smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])C(C)C ZINC000110483201 728531956 /nfs/dbraw/zinc/53/19/56/728531956.db2.gz VZVYXTRJDFCERP-UHFFFAOYSA-N 0 3 365.402 2.733 20 5 FFBDHN COCCN1CCC(Nc2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856725212 730350345 /nfs/dbraw/zinc/35/03/45/730350345.db2.gz FSKPYPGNYQVOBK-UHFFFAOYSA-N 0 3 358.236 2.880 20 5 FFBDHN COC1CCN(CCNc2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856735037 730352041 /nfs/dbraw/zinc/35/20/41/730352041.db2.gz XAGRFHFSULBUGW-UHFFFAOYSA-N 0 3 358.236 2.880 20 5 FFBDHN CCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000861894736 730651320 /nfs/dbraw/zinc/65/13/20/730651320.db2.gz JEADTXZXVFXNRR-GFCCVEGCSA-N 0 3 369.849 2.958 20 5 FFBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000872052688 731724395 /nfs/dbraw/zinc/72/43/95/731724395.db2.gz GDXYWVYTFJFZKV-CORIIIEPSA-N 0 3 367.471 2.603 20 5 FFBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000874825155 732104006 /nfs/dbraw/zinc/10/40/06/732104006.db2.gz WZQRPJNHULKEAN-NWDGAFQWSA-N 0 3 368.231 2.666 20 5 FFBDHN CC(C)[C@H](NCc1cn(C)nc1[N+](=O)[O-])[C@@H](O)c1ccc(Cl)cc1 ZINC000878996900 732628940 /nfs/dbraw/zinc/62/89/40/732628940.db2.gz QCLKHAOSOBJGFF-GJZGRUSLSA-N 0 3 352.822 2.830 20 5 FFBDHN C[C@@](CO)(NC[C@H](O)c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000879272944 732676659 /nfs/dbraw/zinc/67/66/59/732676659.db2.gz FOUCORCMPRWESP-IRXDYDNUSA-N 0 3 350.802 2.779 20 5 FFBDHN COC[C@@H](NCc1cc([N+](=O)[O-])ccc1OC(C)C)[C@@H]1CCCOC1 ZINC000886907524 733855619 /nfs/dbraw/zinc/85/56/19/733855619.db2.gz DRZNXKYUGAELMF-RHSMWYFYSA-N 0 3 352.431 2.913 20 5 FFBDHN C[C@H]1CCCN1CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000783920752 738849221 /nfs/dbraw/zinc/84/92/21/738849221.db2.gz OJSVAZVDCJKTSZ-JTQLQIEISA-N 0 3 356.220 2.571 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)NCCN2CCC[C@H]2C)cc1SC ZINC000742241193 735213989 /nfs/dbraw/zinc/21/39/89/735213989.db2.gz XTGOBQIQTWRCCI-LLVKDONJSA-N 0 3 353.444 2.539 20 5 FFBDHN O=[N+]([O-])c1cc(CNCC2(OCCO)CCC(C(F)F)CC2)cs1 ZINC000897539901 735244890 /nfs/dbraw/zinc/24/48/90/735244890.db2.gz ZHGOWAOQYRWEET-UHFFFAOYSA-N 0 3 364.414 2.949 20 5 FFBDHN O=[N+]([O-])c1cc(CNC[C@@H](O)CCC2(O)CCC2)cc(C(F)(F)F)c1 ZINC000905238382 736316124 /nfs/dbraw/zinc/31/61/24/736316124.db2.gz PZUBQIUNZORRNO-AWEZNQCLSA-N 0 3 362.348 2.759 20 5 FFBDHN CN(C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCN(C2CC2)C1 ZINC000757262649 736399389 /nfs/dbraw/zinc/39/93/89/736399389.db2.gz PHPMWWGUEZUGEF-AWEZNQCLSA-N 0 3 352.822 2.626 20 5 FFBDHN COc1ccc(NC(=O)CCN2CC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000761051164 736690629 /nfs/dbraw/zinc/69/06/29/736690629.db2.gz UWJSSXRCHOGGDO-JTQLQIEISA-N 0 3 361.320 2.816 20 5 FFBDHN O=[N+]([O-])c1ccc(CNC[C@H](O)COc2cccc(F)c2)cc1Cl ZINC000761523037 736742703 /nfs/dbraw/zinc/74/27/03/736742703.db2.gz PUCIKENGGOJQMO-ZDUSSCGKSA-N 0 3 354.765 2.917 20 5 FFBDHN CCN1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H](C)C1 ZINC000910285296 737053337 /nfs/dbraw/zinc/05/33/37/737053337.db2.gz XDKHXKAAVPVQTK-NSHDSACASA-N 0 3 357.357 2.753 20 5 FFBDHN C[C@@H]1[C@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCN1C ZINC000922226252 738108223 /nfs/dbraw/zinc/10/82/23/738108223.db2.gz USWXYTVQZPSAJK-NOZJJQNGSA-N 0 3 360.336 2.505 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000923298434 738267326 /nfs/dbraw/zinc/26/73/26/738267326.db2.gz CKLLBHJYVLUOEE-YUTCNCBUSA-N 0 3 367.833 2.711 20 5 FFBDHN CN(C)Cc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000790006778 739405232 /nfs/dbraw/zinc/40/52/32/739405232.db2.gz KQPQZMBECAJTPW-UHFFFAOYSA-N 0 3 354.359 2.563 20 5 FFBDHN O=[N+]([O-])c1cnn(CCN[C@H]2CCOc3ccc(Br)cc32)c1 ZINC000932206460 739405265 /nfs/dbraw/zinc/40/52/65/739405265.db2.gz LHQJFHGMIIXSEM-ZDUSSCGKSA-N 0 3 367.203 2.667 20 5 FFBDHN CCN(CC)CCS(=O)(=O)Oc1cc(C)c([N+](=O)[O-])cc1Cl ZINC000810079992 741382793 /nfs/dbraw/zinc/38/27/93/741382793.db2.gz UCEBCPKYBGLLQZ-UHFFFAOYSA-N 0 3 350.824 2.607 20 5 FFBDHN CCC[N@H+](CC)C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000810121247 741389711 /nfs/dbraw/zinc/38/97/11/741389711.db2.gz TWQNTHRGHZWFGL-NSHDSACASA-N 0 3 363.867 2.647 20 5 FFBDHN CCC[N@@H+](CC)C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000810121247 741389715 /nfs/dbraw/zinc/38/97/15/741389715.db2.gz TWQNTHRGHZWFGL-NSHDSACASA-N 0 3 363.867 2.647 20 5 FFBDHN CC(COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000813112695 741678483 /nfs/dbraw/zinc/67/84/83/741678483.db2.gz TTWRADMWNXBEHZ-SYQHCUMBSA-N 0 3 356.419 2.763 20 5 FFBDHN Cc1c(Br)c2ccccc2n1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813114731 741678906 /nfs/dbraw/zinc/67/89/06/741678906.db2.gz VXGPEGSUDXZJBL-SECBINFHSA-N 0 3 355.188 2.921 20 5 FFBDHN CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(Cc2cc(F)ccc2Cl)CC1 ZINC001045436723 743273908 /nfs/dbraw/zinc/27/39/08/743273908.db2.gz VHQPXNFWLXQKCR-UKRRQHHQSA-N 0 3 369.824 2.615 20 5 FFBDHN Cc1cc([C@@H](N)CC(=O)NCCc2ccccc2[N+](=O)[O-])cc(Cl)n1 ZINC000830591975 745389734 /nfs/dbraw/zinc/38/97/34/745389734.db2.gz PQQMHJOMWZASIA-AWEZNQCLSA-N 0 3 362.817 2.700 20 5 FFBDHN CC(COC(=O)c1nn(-c2cc(Cl)ccc2F)c2c1CCC2)[N+](=O)[O-] ZINC000842802473 747692972 /nfs/dbraw/zinc/69/29/72/747692972.db2.gz ZSORWYHVVZZSIQ-VIFPVBQESA-N 0 3 367.764 2.976 20 5 FFBDHN CC([C@H](OC(=O)CCOC[C@H]1CCCO1)c1ccccc1F)[N+](=O)[O-] ZINC000845872917 748340726 /nfs/dbraw/zinc/34/07/26/748340726.db2.gz ACHPUYXUDIPCEV-XNJGSVPQSA-N 0 3 355.362 2.661 20 5 FFBDHN Cc1sc(=O)n(CC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c1C ZINC000845873422 748340949 /nfs/dbraw/zinc/34/09/49/748340949.db2.gz DCICXCMEYKCUIJ-ZUZCIYMTSA-N 0 3 368.386 2.615 20 5 FFBDHN CC([C@@H](OC(=O)c1ccc([N+](=O)[O-])n1C)c1ccccc1F)[N+](=O)[O-] ZINC000845874803 748341145 /nfs/dbraw/zinc/34/11/45/748341145.db2.gz KBNDLHJOQCKOSN-YMTOWFKASA-N 0 3 351.290 2.636 20 5 FFBDHN CC([C@H](OC(=O)CCOC1CCOCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845873837 748341496 /nfs/dbraw/zinc/34/14/96/748341496.db2.gz DXAJQRQOAAZPBJ-PXAZEXFGSA-N 0 3 355.362 2.661 20 5 FFBDHN C[C@@H]1COCCN1C1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000846914171 748573456 /nfs/dbraw/zinc/57/34/56/748573456.db2.gz YEMRTFNXXMCTQH-CYBMUJFWSA-N 0 3 353.850 2.933 20 5 FFBDHN COc1cnc(F)c(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000847736943 748770273 /nfs/dbraw/zinc/77/02/73/748770273.db2.gz GIEQIMYAMZSUAG-LKFCYVNXSA-N 0 3 352.293 2.932 20 5 FFBDHN O=[N+]([O-])c1cc(CN2CCC[C@@H](N3CCOCC3)CC2)ccc1Cl ZINC000848930043 749037678 /nfs/dbraw/zinc/03/76/78/749037678.db2.gz MUVZDUJIIMPMEE-OAHLLOKOSA-N 0 3 353.850 2.935 20 5 FFBDHN C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824414165 946699942 /nfs/dbraw/zinc/69/99/42/946699942.db2.gz VXWZSRUILTUQOR-ZDUSSCGKSA-N 0 3 367.413 2.707 20 5 FFBDHN C[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824414165 946699945 /nfs/dbraw/zinc/69/99/45/946699945.db2.gz VXWZSRUILTUQOR-ZDUSSCGKSA-N 0 3 367.413 2.707 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H](CO)c2cccc(C(F)(F)F)c2)c1 ZINC000872217094 1013182787 /nfs/dbraw/zinc/18/27/87/1013182787.db2.gz MZJYCYXBIJDIMO-HZPDHXFCSA-N 0 3 370.327 2.970 20 5 FFBDHN CN(C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCCN(C)C1 ZINC000894477400 965404783 /nfs/dbraw/zinc/40/47/83/965404783.db2.gz PYFSUVKYHMQBHT-CYBMUJFWSA-N 0 3 374.363 2.849 20 5 FFBDHN COc1c(O)ccc(CN[C@@H]2CCN(c3ccccc3F)C2)c1[N+](=O)[O-] ZINC000894591697 965500998 /nfs/dbraw/zinc/50/09/98/965500998.db2.gz UHIWIRCAVIRKRG-CYBMUJFWSA-N 0 3 361.373 2.817 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000875745073 1014070668 /nfs/dbraw/zinc/07/06/68/1014070668.db2.gz HRXTUZHZPANRSR-SJORKVTESA-N 0 3 371.441 2.565 20 5 FFBDHN CCOc1cc(C(=O)N2CCCN(CC)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000910293307 981901359 /nfs/dbraw/zinc/90/13/59/981901359.db2.gz NXCNJWAIBISPGW-ZDUSSCGKSA-N 0 3 365.430 2.558 20 5 FFBDHN Cc1c(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000915297407 988395170 /nfs/dbraw/zinc/39/51/70/988395170.db2.gz JCNRPYAPUTYWPG-VXGBXAGGSA-N 0 3 364.402 2.804 20 5 FFBDHN COc1ccc([C@@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CCN2)cc1 ZINC000879520755 1015571290 /nfs/dbraw/zinc/57/12/90/1015571290.db2.gz DLWZWCNIRLWONY-SFHVURJKSA-N 0 3 367.409 2.626 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000808795331 994269789 /nfs/dbraw/zinc/26/97/89/994269789.db2.gz TYRQLRJHOUPSBY-VQTJNVASSA-N 0 3 374.412 2.694 20 5 FFBDHN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)OCC(C)[N+](=O)[O-] ZINC000813108109 995624462 /nfs/dbraw/zinc/62/44/62/995624462.db2.gz VEOCVEXCSFKAHZ-LBPRGKRZSA-N 0 3 354.366 2.940 20 5 FFBDHN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813113994 995625911 /nfs/dbraw/zinc/62/59/11/995625911.db2.gz XPDKRVULKXQTIV-LLVKDONJSA-N 0 3 356.382 2.640 20 5 FFBDHN CC(COC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1)[N+](=O)[O-] ZINC000813115727 995626525 /nfs/dbraw/zinc/62/65/25/995626525.db2.gz YSDQBJMATQWIEV-SMDDNHRTSA-N 0 3 370.377 2.642 20 5 FFBDHN CC(COC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813114133 995626907 /nfs/dbraw/zinc/62/69/07/995626907.db2.gz ZDBPRRFBNOMUNL-RYUDHWBXSA-N 0 3 374.353 2.985 20 5 FFBDHN CCc1ccc([C@H](CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000823984564 996772006 /nfs/dbraw/zinc/77/20/06/996772006.db2.gz LKDFGDOSQNRXAB-OALUTQOASA-N 0 3 371.437 2.610 20 5 FFBDHN CC([C@@H](OC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845875903 998677082 /nfs/dbraw/zinc/67/70/82/998677082.db2.gz OCNZVDIXKHOFHZ-BFQNTYOBSA-N 0 3 366.389 2.722 20 5 FFBDHN CC([C@@H](OC(=O)CN(C)C(=O)OC(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845873880 998677149 /nfs/dbraw/zinc/67/71/49/998677149.db2.gz GAOHHVBPVCTECG-XHDPSFHLSA-N 0 3 370.377 2.942 20 5 FFBDHN CC([C@@H](OC(=O)[C@@H]1CCc2ncncc2C1)c1ccccc1F)[N+](=O)[O-] ZINC000845875818 998677252 /nfs/dbraw/zinc/67/72/52/998677252.db2.gz COVNKDWCXSWCCW-PSTGCABASA-N 0 3 359.357 2.670 20 5 FFBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745943428 999938156 /nfs/dbraw/zinc/93/81/56/999938156.db2.gz DGTCXPAAKZAVDY-HNNXBMFYSA-N 0 3 365.430 2.915 20 5 FFBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCN(c3ccc(C(F)(F)F)cn3)CC2)C1 ZINC001169027828 1000016090 /nfs/dbraw/zinc/01/60/90/1000016090.db2.gz QXSKPKIKCMHBKF-JSGCOSHPSA-N 0 3 358.364 2.668 20 5 FFBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000786821099 1001632891 /nfs/dbraw/zinc/63/28/91/1001632891.db2.gz YIIUXHYSDUTOCI-DZGCQCFKSA-N 0 3 354.410 2.742 20 5 FFBDHN CN(C)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000791205892 1002618572 /nfs/dbraw/zinc/61/85/72/1002618572.db2.gz SPPGAXOAQCYZSC-UHFFFAOYSA-N 0 3 374.416 2.792 20 5 FFBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc([N+](=O)[O-])n1C ZINC000791974568 1002858393 /nfs/dbraw/zinc/85/83/93/1002858393.db2.gz VVTIKWDJNGQLHQ-HOCLYGCPSA-N 0 3 354.410 2.690 20 5 FFBDHN Cc1cc(F)cc(C(=O)OCCCN2CCN(C(C)C)CC2)c1[N+](=O)[O-] ZINC000791992471 1002873163 /nfs/dbraw/zinc/87/31/63/1002873163.db2.gz IGOJOXAPGIENTI-UHFFFAOYSA-N 0 3 367.421 2.615 20 5 FFBDHN CC(C)CN(CC1CCN(C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001193980692 1004624069 /nfs/dbraw/zinc/62/40/69/1004624069.db2.gz WLIWKQJHKMBOIR-UHFFFAOYSA-N 0 3 369.487 2.583 20 5 FFBDHN CN(Cc1ccccc1N1CCOCC1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776276616 1005342696 /nfs/dbraw/zinc/34/26/96/1005342696.db2.gz OCXIIQLPLMMQDK-HXUWFJFHSA-N 0 3 371.437 2.597 20 5 FFBDHN O=C(Nc1ccccc1)C1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776278317 1005344906 /nfs/dbraw/zinc/34/49/06/1005344906.db2.gz TUHJJWXOIBMCNW-IBGZPJMESA-N 0 3 369.421 2.979 20 5 FFBDHN COc1ccccc1Cn1cnc2cc(C(=O)OCC(C)[N+](=O)[O-])ccc21 ZINC000851036757 1005858351 /nfs/dbraw/zinc/85/83/51/1005858351.db2.gz MQJCXEJVFLYUTD-ZDUSSCGKSA-N 0 3 369.377 2.915 20 5 FFBDHN CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000852306942 1005970014 /nfs/dbraw/zinc/97/00/14/1005970014.db2.gz NIGIFLISDSVKOQ-HNNXBMFYSA-N 0 3 367.446 2.863 20 5 FFBDHN CCCN(CCN(CC)CC)S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC001189041100 1006864218 /nfs/dbraw/zinc/86/42/18/1006864218.db2.gz NDQPMCOSVRAXSX-UHFFFAOYSA-N 0 3 371.503 2.954 20 5 FFBDHN CN(C[C@H]1CCCN1C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000817490502 1007617602 /nfs/dbraw/zinc/61/76/02/1007617602.db2.gz FXGXRGZLUWGDBW-MRXNPFEDSA-N 0 3 360.458 2.751 20 5 FFBDHN CC(C)N(C)Cc1cc(O[C@H]2CCN(c3ccc([N+](=O)[O-])cn3)C2)ccn1 ZINC000856535887 1007874387 /nfs/dbraw/zinc/87/43/87/1007874387.db2.gz IUDJICZNFXRQFJ-SFHVURJKSA-N 0 3 371.441 2.883 20 5 FFBDHN CCN(C)c1ccccc1CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000819033669 1008027702 /nfs/dbraw/zinc/02/77/02/1008027702.db2.gz QVQDMHNKJWSQHT-KRWDZBQOSA-N 0 3 359.426 2.580 20 5 FFBDHN Cc1ccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c(O[C@H]2CCOC2)c1 ZINC000819157851 1008046501 /nfs/dbraw/zinc/04/65/01/1008046501.db2.gz YDEKXEVMCYDPEW-RBUKOAKNSA-N 0 3 372.421 2.894 20 5 FFBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1cccc([N+](=O)[O-])c1N ZINC000820009525 1008265426 /nfs/dbraw/zinc/26/54/26/1008265426.db2.gz KSYWSKGLCOVZRB-NVXWUHKLSA-N 0 3 366.421 2.934 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000137441178 1008609742 /nfs/dbraw/zinc/60/97/42/1008609742.db2.gz ACLZBQHOAQMMQK-CJNGLKHVSA-N 0 3 354.410 2.570 20 5 FFBDHN COc1ccc([C@@H](CN(C)C)NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000823944804 1009287872 /nfs/dbraw/zinc/28/78/72/1009287872.db2.gz CYVMGLJFSKWANI-MRXNPFEDSA-N 0 3 373.413 2.610 20 5 FFBDHN CO[C@@H]1CN(C)[C@](C)(COC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C1 ZINC000861353163 1009372674 /nfs/dbraw/zinc/37/26/74/1009372674.db2.gz MIMAULZURQFLHR-KSSFIOAISA-N 0 3 366.414 2.648 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N(C)c2nc(CN)ccc2C)c1F ZINC001173174800 1012319906 /nfs/dbraw/zinc/31/99/06/1012319906.db2.gz CEDHMGWEFBFFJO-LBPRGKRZSA-N 0 3 362.405 2.972 20 5 FFBDHN Cc1c(C(=O)NC[C@@H](C)N2CCCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000748715311 1017563165 /nfs/dbraw/zinc/56/31/65/1017563165.db2.gz XJWYRPLNAKYPMY-LLVKDONJSA-N 0 3 364.402 2.724 20 5 FFBDHN CN(C)[C@@H]1CCC[C@H]1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000681800103 1018599599 /nfs/dbraw/zinc/59/95/99/1018599599.db2.gz ISMFUQCXTFIUJK-YLJYHZDGSA-N 0 3 363.461 2.754 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@](CO)(c3ccccc3)C2)cc1 ZINC000801580567 1019138537 /nfs/dbraw/zinc/13/85/37/1019138537.db2.gz MZRAKPHZTQPLOD-PMACEKPBSA-N 0 3 356.422 2.654 20 5 FFBDHN C[C@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@@H](c1ccccc1)N(C)C ZINC000801952415 1019538092 /nfs/dbraw/zinc/53/80/92/1019538092.db2.gz WEXVLBVKNZBLQF-GTNSWQLSSA-N 0 3 360.389 2.737 20 5 FFBDHN CNC(=O)c1ccc(CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000750031790 1021247419 /nfs/dbraw/zinc/24/74/19/1021247419.db2.gz CANWMLSVTCFUEY-LJQANCHMSA-N 0 3 369.421 2.652 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](CO)CC1CCOCC1 ZINC001116801217 1021423065 /nfs/dbraw/zinc/42/30/65/1021423065.db2.gz TUBAEXDHKSCUCT-OAHLLOKOSA-N 0 3 352.431 2.508 20 5 FFBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000014887664 1021710305 /nfs/dbraw/zinc/71/03/05/1021710305.db2.gz RBRMNOMORNPVTJ-GOSISDBHSA-N 0 3 356.426 2.694 20 5 FFBDHN O=C1NC2(CO1)CCN(Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)CC2 ZINC000753587090 1023356076 /nfs/dbraw/zinc/35/60/76/1023356076.db2.gz LCQIKMAJMSEGHN-UHFFFAOYSA-N 0 3 357.366 2.929 20 5 FFBDHN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2c(C)ccc3ccccc32)C1 ZINC000950055930 1023694730 /nfs/dbraw/zinc/69/47/30/1023694730.db2.gz RCTMKXOFJANXAU-UYAOXDASSA-N 0 3 367.449 2.846 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CO[C@H]1CC[C@@H](N2CCOCC2)CC1 ZINC001223107330 1033291755 /nfs/dbraw/zinc/29/17/55/1033291755.db2.gz KHDLWUCGTVWITF-WOVMCDHWSA-N 0 3 350.415 2.763 20 5 FFBDHN CCc1cc(N[C@H]2CN3CCC2CC3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001155666965 1028841921 /nfs/dbraw/zinc/84/19/21/1028841921.db2.gz CYBFCTPJJAZXTG-KRWDZBQOSA-N 0 3 353.426 2.542 20 5 FFBDHN Cc1nc(Cl)c([N+](=O)[O-])c(-n2cncc2CNCc2ccccc2)n1 ZINC001156482878 1029210509 /nfs/dbraw/zinc/21/05/09/1029210509.db2.gz YBSZODHQYBMYJC-UHFFFAOYSA-N 0 3 358.789 2.822 20 5 FFBDHN O=[N+]([O-])c1cnc(N2C[C@H]3[C@@H](CCN3Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001165083550 1029370937 /nfs/dbraw/zinc/37/09/37/1029370937.db2.gz GXWKUOUYSBUNLE-YOEHRIQHSA-N 0 3 369.381 2.609 20 5 FFBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@@H](CO)c2ccc(C(F)(F)F)cc2)cc1 ZINC000782091608 1029566080 /nfs/dbraw/zinc/56/60/80/1029566080.db2.gz PGDJGRHVCUIXAR-JKSUJKDBSA-N 0 3 370.327 2.970 20 5 FFBDHN C[C@H](N[C@H](COC(N)=O)Cc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840863481 1029896570 /nfs/dbraw/zinc/89/65/70/1029896570.db2.gz JJYASAIMZDCOIL-WFASDCNBSA-N 0 3 358.398 2.948 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC1CC(CNC(=O)OC(C)(C)C)C1 ZINC001204952538 1031475488 /nfs/dbraw/zinc/47/54/88/1031475488.db2.gz FAFIACPLCAGKFW-UHFFFAOYSA-N 0 3 365.430 2.996 20 5 FFBDHN O=[N+]([O-])c1cc(CO[C@H]2CC[C@H](N3CCOCC3)CC2)cc([N+](=O)[O-])c1 ZINC001223488216 1033465580 /nfs/dbraw/zinc/46/55/80/1033465580.db2.gz MNQUBTSBDLCQES-CZIWCDLHSA-N 0 3 365.386 2.663 20 5 FFBDHN O=[N+]([O-])c1cc(CO[C@H]2CC[C@@H](N3CCOCC3)CC2)cc([N+](=O)[O-])c1 ZINC001223490000 1033469184 /nfs/dbraw/zinc/46/91/84/1033469184.db2.gz MNQUBTSBDLCQES-KDYLLFBJSA-N 0 3 365.386 2.663 20 5 FFBDHN N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)NCCn1ccnc1 ZINC001219563586 1033692563 /nfs/dbraw/zinc/69/25/63/1033692563.db2.gz BOGWEPVVVOWTFK-NRFANRHFSA-N 0 3 358.445 2.876 20 5 FFBDHN O=[N+]([O-])c1ccc2nc(O[C@H]3COCC[N@H+](Cc4ccccc4)C3)[n-]c2c1 ZINC001227742529 1035709291 /nfs/dbraw/zinc/70/92/91/1035709291.db2.gz AQJCLIXCHJJHPY-MRXNPFEDSA-N 0 3 368.393 2.751 20 5 FFBDHN O=[N+]([O-])c1ccc2nc(O[C@H]3COCC[N@@H+](Cc4ccccc4)C3)[n-]c2c1 ZINC001227742529 1035709308 /nfs/dbraw/zinc/70/93/08/1035709308.db2.gz AQJCLIXCHJJHPY-MRXNPFEDSA-N 0 3 368.393 2.751 20 5 FFBDHN CN1CCC(Oc2cc(I)ccc2[N+](=O)[O-])CC1 ZINC001229151306 1036524281 /nfs/dbraw/zinc/52/42/81/1036524281.db2.gz DSOMYWRNFGLLDI-UHFFFAOYSA-N 0 3 362.167 2.672 20 5 FFBDHN CC(=O)Cc1c(F)c(O[C@H]2[C@@H]3CCC[C@H]2CN(C)C3)ccc1[N+](=O)[O-] ZINC001230796014 1037361547 /nfs/dbraw/zinc/36/15/47/1037361547.db2.gz GGQSATHDZJVCOP-MCBXIFIFSA-N 0 3 350.390 2.975 20 5 FFBDHN COc1cc(N2CCC(N3CCC(=O)[C@@H](C)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256093257 1038380735 /nfs/dbraw/zinc/38/07/35/1038380735.db2.gz IWVGGPLQZFXDJQ-AWEZNQCLSA-N 0 3 361.442 2.873 20 5 FFBDHN COc1ccc(O[C@@H]2CCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)nc1 ZINC001254612162 1040841315 /nfs/dbraw/zinc/84/13/15/1040841315.db2.gz VOQVWGVIPOALTC-SJLPKXTDSA-N 0 3 355.394 2.619 20 5 FFBDHN COC(=O)c1ccc(C2CN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)cc1 ZINC001254612384 1040841735 /nfs/dbraw/zinc/84/17/35/1040841735.db2.gz VVDDQRZMUGJTJF-IBGZPJMESA-N 0 3 352.390 2.948 20 5 FFBDHN Cc1ccc(C[C@@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001254736748 1040920859 /nfs/dbraw/zinc/92/08/59/1040920859.db2.gz JFPUIWPIYDGEBL-OAHLLOKOSA-N 0 3 362.451 2.898 20 5 FFBDHN O=[N+]([O-])c1ccccc1-n1ccc(-c2nc([C@@H]3CN4CCC3CC4)no2)n1 ZINC001254849923 1041006609 /nfs/dbraw/zinc/00/66/09/1041006609.db2.gz GJIZRDHKHYDZMS-CYBMUJFWSA-N 0 3 366.381 2.640 20 5 FFBDHN O=c1[n-]cc(-c2nnc([C@H]3CC[N@H+](Cc4ccccc4)C3)o2)cc1[N+](=O)[O-] ZINC001255450451 1041343912 /nfs/dbraw/zinc/34/39/12/1041343912.db2.gz AWNCRCZFWAUFOR-ZDUSSCGKSA-N 0 3 367.365 2.735 20 5 FFBDHN O=c1[n-]cc(-c2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)cc1[N+](=O)[O-] ZINC001255450451 1041343924 /nfs/dbraw/zinc/34/39/24/1041343924.db2.gz AWNCRCZFWAUFOR-ZDUSSCGKSA-N 0 3 367.365 2.735 20 5 FFBDHN O=c1[n-]cc([N+](=O)[O-])cc1-c1nnc([C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001255457330 1041347368 /nfs/dbraw/zinc/34/73/68/1041347368.db2.gz ULPUJBFHXSXDMJ-CYBMUJFWSA-N 0 3 367.365 2.735 20 5 FFBDHN O=c1[n-]cc([N+](=O)[O-])cc1-c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255457330 1041347384 /nfs/dbraw/zinc/34/73/84/1041347384.db2.gz ULPUJBFHXSXDMJ-CYBMUJFWSA-N 0 3 367.365 2.735 20 5 FFBDHN C[C@@H](CNC(=O)N1CCN(C2CCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC001313350855 1044324806 /nfs/dbraw/zinc/32/48/06/1044324806.db2.gz HKMVTTRKKYQEQQ-HNNXBMFYSA-N 0 3 360.458 2.968 20 5 FFBDHN CC(C)n1ncc2c1[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC001327990805 1048124270 /nfs/dbraw/zinc/12/42/70/1048124270.db2.gz AQVPZVQOVSJZPW-WMZOPIPTSA-N 0 3 374.441 2.779 20 5 FFBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC001330591496 1049220572 /nfs/dbraw/zinc/22/05/72/1049220572.db2.gz IWQKRSXWXSJLFG-QGZVFWFLSA-N 0 3 356.382 2.550 20 5 FFBDHN C[C@H](CNC(=O)c1ccc2c(c1)OCCNC2)c1ccccc1[N+](=O)[O-] ZINC001342945527 1051559888 /nfs/dbraw/zinc/55/98/88/1051559888.db2.gz VHRQGUKYRNUOAD-CYBMUJFWSA-N 0 3 355.394 2.610 20 5 FFBDHN CCCN(CCN(CC)CC)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC001309386407 1052610034 /nfs/dbraw/zinc/61/00/34/1052610034.db2.gz KKTGBVPVODWDIJ-UHFFFAOYSA-N 0 3 371.503 2.954 20 5 FFBDHN CN(CCOc1ccccc1[N+](=O)[O-])CCc1nccc(C(F)(F)F)n1 ZINC001351758597 1054984170 /nfs/dbraw/zinc/98/41/70/1054984170.db2.gz IDCKFCFFCJGNFZ-UHFFFAOYSA-N 0 3 370.331 2.957 20 5 FFBDHN CN(C)CCN(Cc1ccco1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001353394245 1056361783 /nfs/dbraw/zinc/36/17/83/1056361783.db2.gz DFWDDLSUSWYQJP-UHFFFAOYSA-N 0 3 350.350 2.923 20 5 FFBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000848350288 1059834477 /nfs/dbraw/zinc/83/44/77/1059834477.db2.gz PKPHJIKXXXAMEX-MJGOQNOKSA-N 0 3 372.469 2.942 20 5 FFBDHN CN(CCOc1cccc([N+](=O)[O-])c1)CCc1nccc(C(F)(F)F)n1 ZINC001355085471 1059873181 /nfs/dbraw/zinc/87/31/81/1059873181.db2.gz REQUFPJTHZCMPU-UHFFFAOYSA-N 0 3 370.331 2.957 20 5 FFBDHN CCn1c(-c2csc([N+](=O)[O-])c2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001520762555 1060048191 /nfs/dbraw/zinc/04/81/91/1060048191.db2.gz LTBWWBJXZLTTOT-UHFFFAOYSA-N 0 3 364.475 2.855 20 5 FFBDHN O=C1[C@H](N2CCCC[C@H]([C@H]3CCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC001460925364 1061152359 /nfs/dbraw/zinc/15/23/59/1061152359.db2.gz SUKCCOSTYJWICJ-TXPKVOOTSA-N 0 3 373.453 2.839 20 5 FFBDHN COC(=O)COc1ccc(CNC[C@H]2OCc3ccccc32)cc1[N+](=O)[O-] ZINC001461818894 1061414517 /nfs/dbraw/zinc/41/45/17/1061414517.db2.gz FIEDLCWKHWVOBT-GOSISDBHSA-N 0 3 372.377 2.508 20 5 FFBDHN CN1CCC(N(Cc2ccco2)C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001464868373 1062883366 /nfs/dbraw/zinc/88/33/66/1062883366.db2.gz LSZRRCFYWBWSSB-UHFFFAOYSA-N 0 3 358.398 2.507 20 5 FFBDHN CN1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC001439893213 1063229999 /nfs/dbraw/zinc/22/99/99/1063229999.db2.gz XFVRJEQDXLFUNF-INIZCTEOSA-N 0 3 360.458 2.799 20 5 FFBDHN C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001470781685 1064449533 /nfs/dbraw/zinc/44/95/33/1064449533.db2.gz XYPKRKSYSRHBEO-LIRRHRJNSA-N 0 3 368.437 2.817 20 5 FFBDHN CC[NH+](CC)CCN(CC(C)C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001577902213 1078412421 /nfs/dbraw/zinc/41/24/21/1078412421.db2.gz BJVGGTCQONLDDE-UHFFFAOYSA-N 0 3 361.450 2.579 20 5 FFBDHN CC[NH+](CC)CCN(CC(C)C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001577902213 1078412422 /nfs/dbraw/zinc/41/24/22/1078412422.db2.gz BJVGGTCQONLDDE-UHFFFAOYSA-N 0 3 361.450 2.579 20 5 FFBDHN N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001580366036 1078792344 /nfs/dbraw/zinc/79/23/44/1078792344.db2.gz BBVFKMJJUXAVFC-MJGOQNOKSA-N 0 3 353.422 2.871 20 5 FFBDHN CCN1C[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C(C)(C)C1 ZINC001558528256 1076025353 /nfs/dbraw/zinc/02/53/53/1076025353.db2.gz UVPSSIYXAFJTLA-ZDUSSCGKSA-N 0 3 370.247 2.817 20 5 FFBDHN COC(=O)[C@]1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCOC1 ZINC001560624722 1076285695 /nfs/dbraw/zinc/28/56/95/1076285695.db2.gz XSZVPLXRUCWPSI-SFHVURJKSA-N 0 3 360.366 2.524 20 5 FFBDHN CCC(CC)[C@H](CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C)N(C)C ZINC001561474775 1076382011 /nfs/dbraw/zinc/38/20/11/1076382011.db2.gz PUOJBGUMEHUAKN-HNNXBMFYSA-N 0 3 371.503 2.856 20 5 FFBDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC001561617614 1076399030 /nfs/dbraw/zinc/39/90/30/1076399030.db2.gz PUHFHMNDVWNMBO-CQSZACIVSA-N 0 3 357.476 2.610 20 5 FFBDHN COc1c(O)ccc(CN[C@H](CO)Cc2ccc(C)c(C)c2)c1[N+](=O)[O-] ZINC001621376666 1126246182 /nfs/dbraw/zinc/24/61/82/1126246182.db2.gz KJMPSMFJFSSYOV-INIZCTEOSA-N 0 3 360.410 2.619 20 5 FFBDHN CCN1CCN([C@@H]2CCN(Cc3ccc(C(C)C)c([N+](=O)[O-])c3)C2)CC1 ZINC000093133040 250017888 /nfs/dbraw/zinc/01/78/88/250017888.db2.gz PZNRGSPIXHETMF-GOSISDBHSA-N 0 3 360.502 2.930 20 5 FFBDHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Br)cc1 ZINC000181109475 251242192 /nfs/dbraw/zinc/24/21/92/251242192.db2.gz ZOGDSNHYGXESKG-LLVKDONJSA-N 0 3 366.215 2.870 20 5 FFBDHN COc1ccc(CN[C@@H](C)Cn2cc(Br)cn2)cc1[N+](=O)[O-] ZINC000268803399 251388665 /nfs/dbraw/zinc/38/86/65/251388665.db2.gz GRXAGIBCVTVFGS-JTQLQIEISA-N 0 3 369.219 2.741 20 5 FFBDHN CN1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)[C@H]2C1 ZINC000272415062 252032388 /nfs/dbraw/zinc/03/23/88/252032388.db2.gz GAXDPHAGXPFEKE-YGRLFVJLSA-N 0 3 357.332 2.780 20 5 FFBDHN CC1(C)[C@@H](C(F)(F)F)CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000276321324 256090006 /nfs/dbraw/zinc/09/00/06/256090006.db2.gz YWDCUSAQWDWDJM-RISCZKNCSA-N 0 3 362.348 2.997 20 5 FFBDHN C[C@@H]1CN(CCCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCCO1 ZINC000277741393 256233923 /nfs/dbraw/zinc/23/39/23/256233923.db2.gz YCYWFUPCNGAWDP-CYBMUJFWSA-N 0 3 361.398 2.572 20 5 FFBDHN CN1CCC[C@H]1CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000278485920 256317640 /nfs/dbraw/zinc/31/76/40/256317640.db2.gz SNKCGSATBZLCRU-LBPRGKRZSA-N 0 3 360.336 2.507 20 5 FFBDHN COc1cc(CNCC2(CO)CC3(CCC3)C2)c([N+](=O)[O-])cc1OC ZINC000278578044 256327176 /nfs/dbraw/zinc/32/71/76/256327176.db2.gz FKSGQXWYKNNNLZ-UHFFFAOYSA-N 0 3 350.415 2.644 20 5 FFBDHN C[C@H]1CN(C2CCOCC2)CCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000278690698 256338655 /nfs/dbraw/zinc/33/86/55/256338655.db2.gz HOXFEFRFSQVENI-LBPRGKRZSA-N 0 3 371.384 2.886 20 5 FFBDHN O=[N+]([O-])c1ccc2[nH]c(CNC3CCN(Cc4ccccn4)CC3)nc2c1 ZINC000278698631 256339040 /nfs/dbraw/zinc/33/90/40/256339040.db2.gz NLOWFZQJGOCHRH-UHFFFAOYSA-N 0 3 366.425 2.620 20 5 FFBDHN CCS[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000286009285 257015739 /nfs/dbraw/zinc/01/57/39/257015739.db2.gz GVCSRIQPRUCGOW-DZGCQCFKSA-N 0 3 353.444 2.806 20 5 FFBDHN CN(CCCN1CCN(C)CC1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000289388348 257277943 /nfs/dbraw/zinc/27/79/43/257277943.db2.gz DLGWVMSFEKFCPY-UHFFFAOYSA-N 0 3 372.469 2.924 20 5 FFBDHN CN(C)CCOc1ccccc1-c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000290114358 257316048 /nfs/dbraw/zinc/31/60/48/257316048.db2.gz OKXCUONOTBXQAL-UHFFFAOYSA-N 0 3 369.381 2.571 20 5 FFBDHN CCOc1ccc([C@H](O)C2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000291969357 257444647 /nfs/dbraw/zinc/44/46/47/257444647.db2.gz VLVGDBLLSJENSS-IBGZPJMESA-N 0 3 374.441 2.636 20 5 FFBDHN Cc1nc2sccn2c(=O)c1CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296761052 257745924 /nfs/dbraw/zinc/74/59/24/257745924.db2.gz QNUWWTMUQPTLJW-NSHDSACASA-N 0 3 358.423 2.866 20 5 FFBDHN CCN1CCN([C@H](C)CNc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301202314 258033370 /nfs/dbraw/zinc/03/33/70/258033370.db2.gz XEGGNRTZWWQWGC-GFCCVEGCSA-N 0 3 371.279 2.795 20 5 FFBDHN COC[C@H](C)CNCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000299659383 258014875 /nfs/dbraw/zinc/01/48/75/258014875.db2.gz VHIAEUZLMBUFJV-SNVBAGLBSA-N 0 3 366.336 2.917 20 5 FFBDHN COC(=O)c1cnc(N[C@H]2CN(Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000302754113 258109754 /nfs/dbraw/zinc/10/97/54/258109754.db2.gz IANAVANBXGVGQX-CJNGLKHVSA-N 0 3 370.409 2.709 20 5 FFBDHN COC(=O)c1cnc(NCC(C)(C)N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000302784771 258110794 /nfs/dbraw/zinc/11/07/94/258110794.db2.gz UZJICVUEICXLSL-GFCCVEGCSA-N 0 3 350.419 2.699 20 5 FFBDHN Cc1ccc([C@H](CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)N(C)C)cc1 ZINC000301701754 258063450 /nfs/dbraw/zinc/06/34/50/258063450.db2.gz TUPMDKVYKCLRAM-KRWDZBQOSA-N 0 3 370.409 2.949 20 5 FFBDHN CS[C@H]1CN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C[C@@H]1N(C)C ZINC000330646132 258167405 /nfs/dbraw/zinc/16/74/05/258167405.db2.gz GTUFZISLINYBRT-KBPBESRZSA-N 0 3 351.472 2.638 20 5 FFBDHN CC(C)c1n[nH]c(C(=O)N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000331212510 258179857 /nfs/dbraw/zinc/17/98/57/258179857.db2.gz KFKYEFNLAOQMJN-XQQFMLRXSA-N 0 3 351.451 2.538 20 5 FFBDHN Cc1c(NC(=O)CCN2C[C@H]3CCCCN3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000332008720 258210021 /nfs/dbraw/zinc/21/00/21/258210021.db2.gz JSUQEZANNSMVID-GOEBONIOSA-N 0 3 360.458 2.790 20 5 FFBDHN CN1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H](c2ccccc2)C1 ZINC000032313887 506242115 /nfs/dbraw/zinc/24/21/15/506242115.db2.gz RZSNWLFJHUURRB-QGZVFWFLSA-N 0 3 365.393 2.600 20 5 FFBDHN COc1ccc(OCCN2CCC[C@@H](c3nccn3C)C2)c([N+](=O)[O-])c1 ZINC000377261356 512190964 /nfs/dbraw/zinc/19/09/64/512190964.db2.gz INWAVLJILUPPLD-CQSZACIVSA-N 0 3 360.414 2.595 20 5 FFBDHN CN(C)CCOc1ccc(CNC(=O)NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000067536254 506914564 /nfs/dbraw/zinc/91/45/64/506914564.db2.gz KSIFPEKRYLJFIE-UHFFFAOYSA-N 0 3 372.425 2.535 20 5 FFBDHN CC(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)N1CCc2ccccc2C1 ZINC000045313595 506949174 /nfs/dbraw/zinc/94/91/74/506949174.db2.gz FJCVWORFKYHYDT-GOSISDBHSA-N 0 3 356.426 2.736 20 5 FFBDHN COc1ccc(CC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000067793059 507011419 /nfs/dbraw/zinc/01/14/19/507011419.db2.gz HDSPZYBRXJEEFI-KRWDZBQOSA-N 0 3 369.421 2.537 20 5 FFBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000057005756 507144393 /nfs/dbraw/zinc/14/43/93/507144393.db2.gz NAZTUTRPUGGVJE-QGZVFWFLSA-N 0 3 354.410 2.669 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H]1CN1CCCCC1 ZINC000069077585 507399433 /nfs/dbraw/zinc/39/94/33/507399433.db2.gz FJQXDTGHLTWPKY-KRWDZBQOSA-N 0 3 360.458 2.792 20 5 FFBDHN CN(C)C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCCCC1 ZINC000026956722 507624171 /nfs/dbraw/zinc/62/41/71/507624171.db2.gz AYCZNFYGNISNBS-UHFFFAOYSA-N 0 3 355.460 2.528 20 5 FFBDHN CCc1ccc([C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000027596128 507669461 /nfs/dbraw/zinc/66/94/61/507669461.db2.gz HSEPKIYASRZJIK-LJQANCHMSA-N 0 3 371.437 2.955 20 5 FFBDHN Cc1n[nH]c(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)c1[N+](=O)[O-] ZINC000072061766 507743034 /nfs/dbraw/zinc/74/30/34/507743034.db2.gz CPJSDEJLKXCBSE-OAHLLOKOSA-N 0 3 357.414 2.502 20 5 FFBDHN C[C@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCC1 ZINC000051342878 507764217 /nfs/dbraw/zinc/76/42/17/507764217.db2.gz ZDHDHBLLUAXWGH-GFCCVEGCSA-N 0 3 360.439 2.932 20 5 FFBDHN CCN(Cc1ccc(OC)cc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000051406163 507768726 /nfs/dbraw/zinc/76/87/26/507768726.db2.gz VBDWORKFHITATA-QGZVFWFLSA-N 0 3 360.410 2.865 20 5 FFBDHN C[C@@H]1CCC[C@](CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])(N(C)C)C1 ZINC000089619893 507850895 /nfs/dbraw/zinc/85/08/95/507850895.db2.gz CSLFUNYBPZPGJW-DYVFJYSZSA-N 0 3 369.487 2.921 20 5 FFBDHN CC(C)(C)S(=O)(=O)CCN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000089628534 507851941 /nfs/dbraw/zinc/85/19/41/507851941.db2.gz JTIIRJHJVABZTD-OAHLLOKOSA-N 0 3 354.472 2.719 20 5 FFBDHN COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000089644388 507853460 /nfs/dbraw/zinc/85/34/60/507853460.db2.gz IQSAFIQKFWUUFE-RBUKOAKNSA-N 0 3 371.437 2.789 20 5 FFBDHN Cc1c(C(=O)N2CCC[C@H](N3CCCC3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000107600103 507859107 /nfs/dbraw/zinc/85/91/07/507859107.db2.gz ONYFWPYNFRKDIP-ZDUSSCGKSA-N 0 3 362.386 2.512 20 5 FFBDHN CN(C)[C@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000079803995 508002447 /nfs/dbraw/zinc/00/24/47/508002447.db2.gz NUJWITWBHVVACI-NSHDSACASA-N 0 3 356.220 2.524 20 5 FFBDHN CCN1CCCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1 ZINC000110815713 508049634 /nfs/dbraw/zinc/04/96/34/508049634.db2.gz FRUDSLLSCNFXLQ-UHFFFAOYSA-N 0 3 374.485 2.999 20 5 FFBDHN O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@H]1CN1CCCCC1 ZINC000080491312 508078291 /nfs/dbraw/zinc/07/82/91/508078291.db2.gz UXSBUFSZKKKPIE-KRWDZBQOSA-N 0 3 360.458 2.797 20 5 FFBDHN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000075109131 508083375 /nfs/dbraw/zinc/08/33/75/508083375.db2.gz BHFOLNSCBNSCAF-GOSISDBHSA-N 0 3 368.437 2.711 20 5 FFBDHN COc1ccc(CN2CC[C@H](CO)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000092764913 508100503 /nfs/dbraw/zinc/10/05/03/508100503.db2.gz HHUYBVRPIQOPNP-KRWDZBQOSA-N 0 3 372.421 2.997 20 5 FFBDHN C[C@H]1CN(CCCCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000085457681 508309635 /nfs/dbraw/zinc/30/96/35/508309635.db2.gz GBBUOUVPRBXRJW-STQMWFEESA-N 0 3 369.849 2.867 20 5 FFBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000152289670 508416149 /nfs/dbraw/zinc/41/61/49/508416149.db2.gz MAWCOWWGLXPZCS-CQSZACIVSA-N 0 3 357.414 2.849 20 5 FFBDHN Cc1nn(C)c(C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000116063624 508468098 /nfs/dbraw/zinc/46/80/98/508468098.db2.gz KPNFAQZYJUGRTN-CQSZACIVSA-N 0 3 371.441 2.592 20 5 FFBDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000122245662 508506137 /nfs/dbraw/zinc/50/61/37/508506137.db2.gz AJQMBPVHKUXYCM-GOSISDBHSA-N 0 3 370.453 2.609 20 5 FFBDHN C[C@@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC(C)CC1 ZINC000122370716 508524581 /nfs/dbraw/zinc/52/45/81/508524581.db2.gz NURRDTNUKRCGAW-HNNXBMFYSA-N 0 3 371.441 2.631 20 5 FFBDHN C[C@H]1CCCN(CCNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116727797 508552086 /nfs/dbraw/zinc/55/20/86/508552086.db2.gz YZIZYSNIDCUPIP-ZDUSSCGKSA-N 0 3 369.849 2.865 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000122792333 508586974 /nfs/dbraw/zinc/58/69/74/508586974.db2.gz JZJYRTKJQWUYRC-ZDUSSCGKSA-N 0 3 350.419 2.845 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000122869709 508599904 /nfs/dbraw/zinc/59/99/04/508599904.db2.gz JOMUZRXDUWQKCF-HNNXBMFYSA-N 0 3 372.425 2.898 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CN1C1CC1 ZINC000123435919 508686659 /nfs/dbraw/zinc/68/66/59/508686659.db2.gz DCBZCEJZKQHZFA-ZFWWWQNUSA-N 0 3 358.442 2.894 20 5 FFBDHN O=C(CCN1CCc2ccccc2[C@H]1CO)Nc1cc([N+](=O)[O-])ccc1F ZINC000129125017 508687485 /nfs/dbraw/zinc/68/74/85/508687485.db2.gz FSKMHCMNNNVTMB-GOSISDBHSA-N 0 3 373.384 2.654 20 5 FFBDHN COc1cc(C(=O)NCCCN2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000153986761 508692810 /nfs/dbraw/zinc/69/28/10/508692810.db2.gz SOYVFAPHNQNDCS-UHFFFAOYSA-N 0 3 369.421 2.782 20 5 FFBDHN C[C@H]1CN(CCCCNC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000129644492 508749876 /nfs/dbraw/zinc/74/98/76/508749876.db2.gz KFVXFDXRVZACLI-KBPBESRZSA-N 0 3 350.419 2.606 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 ZINC000137455876 508756181 /nfs/dbraw/zinc/75/61/81/508756181.db2.gz WDRKRUHYXLLZEF-DOTOQJQBSA-N 0 3 369.421 2.753 20 5 FFBDHN Cc1ccc([C@H](C)NC[C@]2(N3CCOCC3)CCSC2)cc1[N+](=O)[O-] ZINC000154427110 508782839 /nfs/dbraw/zinc/78/28/39/508782839.db2.gz UHLAXAPFDZRKSC-MAUKXSAKSA-N 0 3 365.499 2.762 20 5 FFBDHN CC[C@@H]1CCCCN1CCNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000124204553 508796263 /nfs/dbraw/zinc/79/62/63/508796263.db2.gz MYSXDQZPZHVDGJ-MRXNPFEDSA-N 0 3 360.458 2.927 20 5 FFBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000159131865 508797010 /nfs/dbraw/zinc/79/70/10/508797010.db2.gz SEENJAHVIIGCKP-ZIAGYGMSSA-N 0 3 358.442 2.855 20 5 FFBDHN Cc1c([C@H](C)NCc2ccnc(N3CCN(C)CC3)c2)cccc1[N+](=O)[O-] ZINC000159165757 508802030 /nfs/dbraw/zinc/80/20/30/508802030.db2.gz ARQUTBXCAIKOHX-INIZCTEOSA-N 0 3 369.469 2.901 20 5 FFBDHN CC[C@@H](NCc1ccnc(N2CCN(C)CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000159172782 508803666 /nfs/dbraw/zinc/80/36/66/508803666.db2.gz JBWYUADEZRALJY-LJQANCHMSA-N 0 3 369.469 2.983 20 5 FFBDHN Nc1ccc(C(=O)NCC2CCN(Cc3cccs3)CC2)cc1[N+](=O)[O-] ZINC000145823610 508847188 /nfs/dbraw/zinc/84/71/88/508847188.db2.gz FXOKMBZAPDVIRQ-UHFFFAOYSA-N 0 3 374.466 2.881 20 5 FFBDHN O=C(NC1CCN(C2CC2)CC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000125538648 508996961 /nfs/dbraw/zinc/99/69/61/508996961.db2.gz SVDKWUDMXLIRLE-UHFFFAOYSA-N 0 3 357.332 2.970 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)CC[C@H]2CCCCN2C)c1C ZINC000121014056 509110368 /nfs/dbraw/zinc/11/03/68/509110368.db2.gz UQZRBGISGDPFKV-OAHLLOKOSA-N 0 3 369.487 2.707 20 5 FFBDHN CN(C)C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000121216148 509151279 /nfs/dbraw/zinc/15/12/79/509151279.db2.gz NWKCMQDJSASHQE-LBPRGKRZSA-N 0 3 370.247 2.914 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)[C@@H]1COc2ccccc21 ZINC000185565837 509238301 /nfs/dbraw/zinc/23/83/01/509238301.db2.gz YGRMIJPZBGROIO-CJNGLKHVSA-N 0 3 355.394 2.996 20 5 FFBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000248124616 509238740 /nfs/dbraw/zinc/23/87/40/509238740.db2.gz VEOXTEQXXPKOMN-SCLBCKFNSA-N 0 3 356.426 2.561 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)[C@@H]1COc2ccccc21 ZINC000185579484 509247465 /nfs/dbraw/zinc/24/74/65/509247465.db2.gz ULTLXFZQAGNKGO-DOMZBBRYSA-N 0 3 371.393 2.696 20 5 FFBDHN CN1CC[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000179111075 509269726 /nfs/dbraw/zinc/26/97/26/509269726.db2.gz GEVKTJXBAXACDR-WMZOPIPTSA-N 0 3 354.410 2.839 20 5 FFBDHN C[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1COc2ccccc21 ZINC000185645671 509282859 /nfs/dbraw/zinc/28/28/59/509282859.db2.gz OHTRSWFZYHAMER-SUMWQHHRSA-N 0 3 355.394 2.712 20 5 FFBDHN O=[N+]([O-])c1ccn(CCN2CCN(Cc3cccc4ccccc43)CC2)n1 ZINC000176197024 509373140 /nfs/dbraw/zinc/37/31/40/509373140.db2.gz OOJIYINGEUPKMH-UHFFFAOYSA-N 0 3 365.437 2.762 20 5 FFBDHN COc1ccc(OCCN2CCC([C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000189121740 509421392 /nfs/dbraw/zinc/42/13/92/509421392.db2.gz UDYBMDDRZKBKLK-QGZVFWFLSA-N 0 3 350.415 2.873 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H]1CCCc2c(O)cccc21 ZINC000192361262 509481462 /nfs/dbraw/zinc/48/14/62/509481462.db2.gz RUWKXPBORXSLRR-XJKSGUPXSA-N 0 3 358.394 2.707 20 5 FFBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCN(C[C@H]2CCOC2)CC1 ZINC000267479428 509506788 /nfs/dbraw/zinc/50/67/88/509506788.db2.gz XJRXZPOBYWGBJF-MRXNPFEDSA-N 0 3 363.458 2.536 20 5 FFBDHN CCOc1cc(C(=O)Nc2cccc(CNC)c2)c([N+](=O)[O-])cc1OC ZINC000236898778 509530071 /nfs/dbraw/zinc/53/00/71/509530071.db2.gz GWWHQFWEACGBBY-UHFFFAOYSA-N 0 3 359.382 2.974 20 5 FFBDHN C[C@H](NC[C@H](O)COc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000173394627 509571401 /nfs/dbraw/zinc/57/14/01/509571401.db2.gz RJLKAFTYHSLZNY-FZMZJTMJSA-N 0 3 352.337 2.964 20 5 FFBDHN [NH3+]C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCCCC1 ZINC000237848165 509751763 /nfs/dbraw/zinc/75/17/63/509751763.db2.gz LXJWLNYINWPODC-UHFFFAOYSA-N 0 3 361.851 2.578 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CCN(C2CCCC2)CC1 ZINC000176940175 509777014 /nfs/dbraw/zinc/77/70/14/509777014.db2.gz NXPSRDGPKTVLDO-UHFFFAOYSA-N 0 3 367.471 2.589 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cc1SC ZINC000268171635 509793867 /nfs/dbraw/zinc/79/38/67/509793867.db2.gz FBNBPGSMWDDZRT-MFKMUULPSA-N 0 3 365.455 2.538 20 5 FFBDHN CN1CCCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N)cc2)CC1 ZINC000189902532 509818824 /nfs/dbraw/zinc/81/88/24/509818824.db2.gz YYZYODMFJSSHGL-UHFFFAOYSA-N 0 3 369.425 2.571 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000268231958 509827088 /nfs/dbraw/zinc/82/70/88/509827088.db2.gz SIUUPBGPXHSAJX-NOZJJQNGSA-N 0 3 368.231 2.570 20 5 FFBDHN CC[C@@H]1CN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCS1 ZINC000173928940 509860424 /nfs/dbraw/zinc/86/04/24/509860424.db2.gz FURMZUAJEFQFMG-CYBMUJFWSA-N 0 3 353.444 2.759 20 5 FFBDHN COC(=O)c1cccc(NC(=O)C[C@@H](C)NCc2ccccc2[N+](=O)[O-])c1 ZINC000183594465 509877945 /nfs/dbraw/zinc/87/79/45/509877945.db2.gz SZRQDAQOCIKLBT-CYBMUJFWSA-N 0 3 371.393 2.888 20 5 FFBDHN Cc1ccc(C)c(S(=O)(=O)N(C)CC[C@H]2CCCCN2C)c1[N+](=O)[O-] ZINC000190018636 509888511 /nfs/dbraw/zinc/88/85/11/509888511.db2.gz IVPPTDOXWHWLJU-OAHLLOKOSA-N 0 3 369.487 2.707 20 5 FFBDHN CC(=O)Nc1ccc(OC[C@H](O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180453403 509933485 /nfs/dbraw/zinc/93/34/85/509933485.db2.gz MDOBJXKMVAXXPA-FZKQIMNGSA-N 0 3 373.409 2.644 20 5 FFBDHN COCCCN1CCC(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000171126533 509957941 /nfs/dbraw/zinc/95/79/41/509957941.db2.gz WGQIKBFZOHLPDD-UHFFFAOYSA-N 0 3 367.471 2.547 20 5 FFBDHN C[C@@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)N1[C@H](C)CC[C@@H]1C ZINC000171235664 510026528 /nfs/dbraw/zinc/02/65/28/510026528.db2.gz QMVYGVSLYOPTKB-XHSDSOJGSA-N 0 3 360.458 2.505 20 5 FFBDHN CN(C)[C@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000193825086 510087690 /nfs/dbraw/zinc/08/76/90/510087690.db2.gz VDMDGWRFSVWATR-GOSISDBHSA-N 0 3 356.426 2.739 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCN(CC3CCOCC3)CC2)c2ccncc21 ZINC000265552730 510111968 /nfs/dbraw/zinc/11/19/68/510111968.db2.gz ZCXPOAWNDUDRIY-UHFFFAOYSA-N 0 3 356.426 2.692 20 5 FFBDHN COc1cc(Br)ccc1[C@H](C)NCCn1ccc([N+](=O)[O-])n1 ZINC000190435659 510129460 /nfs/dbraw/zinc/12/94/60/510129460.db2.gz NHRJHOGXDMIGGX-JTQLQIEISA-N 0 3 369.219 2.913 20 5 FFBDHN Cn1ccnc1[C@H]1CNCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000262139549 510190181 /nfs/dbraw/zinc/19/01/81/510190181.db2.gz YYUQUZVFUSYUGE-QGZVFWFLSA-N 0 3 367.409 2.735 20 5 FFBDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181024493 510244681 /nfs/dbraw/zinc/24/46/81/510244681.db2.gz CVBWRBAIHGAXNR-UHFFFAOYSA-N 0 3 356.426 2.901 20 5 FFBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000184361187 510285162 /nfs/dbraw/zinc/28/51/62/510285162.db2.gz WTIXWSOKBXSSFG-QGZVFWFLSA-N 0 3 371.441 2.657 20 5 FFBDHN Cc1ccc([C@H](O)CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)o1 ZINC000266096315 510406711 /nfs/dbraw/zinc/40/67/11/510406711.db2.gz ZPTSXKNQOGDVST-MRXNPFEDSA-N 0 3 356.382 2.720 20 5 FFBDHN CC(C)OCCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000174981480 510417971 /nfs/dbraw/zinc/41/79/71/510417971.db2.gz OUCVYTWGCAEGRQ-UHFFFAOYSA-N 0 3 369.849 2.867 20 5 FFBDHN CC(C)c1n[nH]c(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000269488637 510432000 /nfs/dbraw/zinc/43/20/00/510432000.db2.gz XGATWPGETUQAFG-CYBMUJFWSA-N 0 3 359.430 2.692 20 5 FFBDHN CCN(CC)CCCN(CC)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000190966176 510440846 /nfs/dbraw/zinc/44/08/46/510440846.db2.gz BBQVYLQWCIQHTD-UHFFFAOYSA-N 0 3 357.476 2.557 20 5 FFBDHN C[C@@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000194670653 510472303 /nfs/dbraw/zinc/47/23/03/510472303.db2.gz CTFCMQPENOWTST-XHSDSOJGSA-N 0 3 360.458 2.505 20 5 FFBDHN O=C(NC[C@H](O)CN1CCCCC1)c1cc2ccccc2c2cccnc12 ZINC000178515414 510640063 /nfs/dbraw/zinc/64/00/63/510640063.db2.gz UICNNYBUVDNQHU-KRWDZBQOSA-N 0 3 363.461 2.965 20 5 FFBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000246743300 510648368 /nfs/dbraw/zinc/64/83/68/510648368.db2.gz HAJOZZWQRQTNLP-YOEHRIQHSA-N 0 3 358.442 2.725 20 5 FFBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)n1 ZINC000191618832 510755217 /nfs/dbraw/zinc/75/52/17/510755217.db2.gz NZCZUWSKDUWWEH-CQSZACIVSA-N 0 3 371.441 2.767 20 5 FFBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)n1 ZINC000191658023 510776277 /nfs/dbraw/zinc/77/62/77/510776277.db2.gz XPNPTLODYMICHQ-GDBMZVCRSA-N 0 3 371.441 2.594 20 5 FFBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)n1 ZINC000191658037 510776440 /nfs/dbraw/zinc/77/64/40/510776440.db2.gz XPNPTLODYMICHQ-ZBFHGGJFSA-N 0 3 371.441 2.594 20 5 FFBDHN COC(=O)[C@H]1CCCC[C@]1(C)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000270433163 510807346 /nfs/dbraw/zinc/80/73/46/510807346.db2.gz JNSFWKBMNHFDSB-QAPCUYQASA-N 0 3 364.398 2.673 20 5 FFBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000247111237 510836482 /nfs/dbraw/zinc/83/64/82/510836482.db2.gz LOAVKESDIAXOQD-XJKSGUPXSA-N 0 3 351.834 2.733 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](c2ccnn2C)C1 ZINC000360305648 510894160 /nfs/dbraw/zinc/89/41/60/510894160.db2.gz LBSMDANBLVZWNG-HNNXBMFYSA-N 0 3 371.441 2.845 20 5 FFBDHN CN1CCC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C2)C1 ZINC000293918377 510898911 /nfs/dbraw/zinc/89/89/11/510898911.db2.gz IHERPCIZHLPBGO-LJQANCHMSA-N 0 3 354.410 2.701 20 5 FFBDHN C[C@@H]1C[C@@H](c2cccnc2)N(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000364527092 510916105 /nfs/dbraw/zinc/91/61/05/510916105.db2.gz JTKUQFOLHOCPEZ-BJZITVGISA-N 0 3 357.410 2.813 20 5 FFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC1=CCN(C)CC1 ZINC000285488666 510927780 /nfs/dbraw/zinc/92/77/80/510927780.db2.gz DMASJCRZXNBVJM-UHFFFAOYSA-N 0 3 368.231 2.657 20 5 FFBDHN Cc1ccc([C@H](C)NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000364725449 511044585 /nfs/dbraw/zinc/04/45/85/511044585.db2.gz SWGFTLUDSGYZLV-PQIIZBDJSA-N 0 3 361.442 2.613 20 5 FFBDHN O=C(CCC(=O)N1CC[C@H](N2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000294560715 511104643 /nfs/dbraw/zinc/10/46/43/511104643.db2.gz JJTZKCHATHHCLG-KRWDZBQOSA-N 0 3 359.426 2.645 20 5 FFBDHN COc1cc(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000294596795 511114775 /nfs/dbraw/zinc/11/47/75/511114775.db2.gz USMIWNPTJFFRPA-RYUDHWBXSA-N 0 3 353.394 2.593 20 5 FFBDHN CCOC1(C)CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000298230275 511216910 /nfs/dbraw/zinc/21/69/10/511216910.db2.gz HFQNEONAVUFQCS-UHFFFAOYSA-N 0 3 365.430 2.823 20 5 FFBDHN Cn1cc([C@@H]2CN(Cc3ccccc3[N+](=O)[O-])CC23CCOCC3)cn1 ZINC000295042122 511261396 /nfs/dbraw/zinc/26/13/96/511261396.db2.gz OWFNWOFUIYVHBJ-KRWDZBQOSA-N 0 3 356.426 2.725 20 5 FFBDHN C[C@H](NCCOc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CC(=O)N2C ZINC000271762072 511314646 /nfs/dbraw/zinc/31/46/46/511314646.db2.gz BCKLSZPBLSZGPC-ZDUSSCGKSA-N 0 3 355.394 2.843 20 5 FFBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295279731 511347294 /nfs/dbraw/zinc/34/72/94/511347294.db2.gz MMZASSDKJTWKGT-WMLDXEAASA-N 0 3 359.426 2.643 20 5 FFBDHN COCCCN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000291892423 511379345 /nfs/dbraw/zinc/37/93/45/511379345.db2.gz OXEIMAOEKUGEFD-UHFFFAOYSA-N 0 3 369.849 2.821 20 5 FFBDHN CN1CCC2(CC1)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccccc1O2 ZINC000298953376 511462864 /nfs/dbraw/zinc/46/28/64/511462864.db2.gz UXYKJVXRLSNIPO-OAHLLOKOSA-N 0 3 370.409 2.641 20 5 FFBDHN CN(C)CCOc1ccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc1 ZINC000272212370 511467128 /nfs/dbraw/zinc/46/71/28/511467128.db2.gz QIHQUDUKZSRINP-UHFFFAOYSA-N 0 3 373.365 2.516 20 5 FFBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000280558374 511511177 /nfs/dbraw/zinc/51/11/77/511511177.db2.gz UTOULCANDSLATP-IAQYHMDHSA-N 0 3 369.824 2.873 20 5 FFBDHN COc1ccc(NC(=O)CCN2CCCO[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000293042146 511818184 /nfs/dbraw/zinc/81/81/84/511818184.db2.gz HCXVEFMWNQGFMO-KRWDZBQOSA-N 0 3 365.430 2.679 20 5 FFBDHN C[C@H](N[C@@H]1CCC[C@@H]1CCO)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000284823326 511885593 /nfs/dbraw/zinc/88/55/93/511885593.db2.gz AGOBNISPPSGBRR-MISXGVKJSA-N 0 3 355.822 2.716 20 5 FFBDHN CCCc1n[nH]c(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000274615567 511888802 /nfs/dbraw/zinc/88/88/02/511888802.db2.gz YHCDFFIQYUFSTD-BLLLJJGKSA-N 0 3 359.430 2.692 20 5 FFBDHN CS[C@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@@H]1N1CCCC1 ZINC000274851678 511964092 /nfs/dbraw/zinc/96/40/92/511964092.db2.gz AZNGKFVXCFGANH-IRXDYDNUSA-N 0 3 374.466 2.728 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000369562730 512480465 /nfs/dbraw/zinc/48/04/65/512480465.db2.gz VCCRKOYWMAXNFV-UHFFFAOYSA-N 0 3 372.429 2.741 20 5 FFBDHN O=C(CCNC1(c2ccc3c(c2)OCO3)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411485066 512657834 /nfs/dbraw/zinc/65/78/34/512657834.db2.gz QBHSGLXSKHDBQP-UHFFFAOYSA-N 0 3 369.377 2.931 20 5 FFBDHN C[C@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000367927334 512727091 /nfs/dbraw/zinc/72/70/91/512727091.db2.gz PRDDMGXSZZHIPW-ZFWWWQNUSA-N 0 3 352.866 2.710 20 5 FFBDHN CCOc1cc(CN2CC[C@](C(N)=O)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000411975218 512898655 /nfs/dbraw/zinc/89/86/55/512898655.db2.gz ZVWYFRBRQJORBP-HXUWFJFHSA-N 0 3 369.421 2.623 20 5 FFBDHN O=[N+]([O-])c1cccc(CNC[C@H](O)COCc2ccc(Cl)cc2)c1 ZINC000391963460 512920419 /nfs/dbraw/zinc/92/04/19/512920419.db2.gz CSDUMLYAFFRIOE-KRWDZBQOSA-N 0 3 350.802 2.916 20 5 FFBDHN O=C(CCN1CCC[C@H](c2ccncn2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000372599286 512963383 /nfs/dbraw/zinc/96/33/83/512963383.db2.gz KFEUOGOFHWMIMT-ZDUSSCGKSA-N 0 3 373.388 2.732 20 5 FFBDHN NC1(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)Cc2ccccc2C1 ZINC000376795110 512990035 /nfs/dbraw/zinc/99/00/35/512990035.db2.gz VMIOKIGXLSRQBY-UHFFFAOYSA-N 0 3 353.422 2.530 20 5 FFBDHN O=[N+]([O-])c1ccc2oc(CN3CCC(CCN4CCOCC4)CC3)nc2c1 ZINC000368543601 512994115 /nfs/dbraw/zinc/99/41/15/512994115.db2.gz ODIRWYMRQFHFJS-UHFFFAOYSA-N 0 3 374.441 2.670 20 5 FFBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)NC1CCN([C@@H]2CCOC2)CC1 ZINC000370750008 513083224 /nfs/dbraw/zinc/08/32/24/513083224.db2.gz OBCKNDHTXDWLJM-CYBMUJFWSA-N 0 3 368.821 2.623 20 5 FFBDHN CN1CCC2(CCCN2C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000450351591 513155164 /nfs/dbraw/zinc/15/51/64/513155164.db2.gz VNKLUMVSWPEQDM-UHFFFAOYSA-N 0 3 359.426 2.645 20 5 FFBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@H](SC)[C@@H](N(C)C)C1 ZINC000450409087 513181508 /nfs/dbraw/zinc/18/15/08/513181508.db2.gz XCAOGPHIRWMONA-HOTGVXAUSA-N 0 3 362.455 2.633 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000439914364 513210233 /nfs/dbraw/zinc/21/02/33/513210233.db2.gz XSQYPTSVAXAXHC-MRXNPFEDSA-N 0 3 368.459 2.552 20 5 FFBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+]C1CC2(C1)CCCCC2 ZINC000421369481 513240876 /nfs/dbraw/zinc/24/08/76/513240876.db2.gz VUIQVXIYZLZNFO-UHFFFAOYSA-N 0 3 367.471 2.576 20 5 FFBDHN CC(C)N(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C[C@H](O)CO ZINC000421410933 513253596 /nfs/dbraw/zinc/25/35/96/513253596.db2.gz PVXUERLSTPGZDF-HNNXBMFYSA-N 0 3 350.440 2.887 20 5 FFBDHN CN(C)CC1(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000450607383 513272143 /nfs/dbraw/zinc/27/21/43/513272143.db2.gz XKOSUBYQOIKIDY-UHFFFAOYSA-N 0 3 361.442 2.796 20 5 FFBDHN CN1CCN(CCNc2ccc([N+](=O)[O-])cc2OC(F)F)CC1(C)C ZINC000440645183 513369833 /nfs/dbraw/zinc/36/98/33/513369833.db2.gz CTLGDKFOMLFJHI-UHFFFAOYSA-N 0 3 358.389 2.634 20 5 FFBDHN C[C@@H]1CCCN(c2ccc(C(=O)N3CCN[C@@H](C)[C@H]3C)cc2[N+](=O)[O-])C1 ZINC000434715300 513405312 /nfs/dbraw/zinc/40/53/12/513405312.db2.gz XNNKBBVUBUFETK-QLFBSQMISA-N 0 3 360.458 2.654 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCC3(N4CCOCC4)CC3)o2)cc1 ZINC000434790128 513431050 /nfs/dbraw/zinc/43/10/50/513431050.db2.gz QWTFAQLKZHDAAG-UHFFFAOYSA-N 0 3 357.410 2.809 20 5 FFBDHN COC1CCN(C2(CNc3ncc([N+](=O)[O-])cc3F)CCCC2)CC1 ZINC000413127167 513465488 /nfs/dbraw/zinc/46/54/88/513465488.db2.gz AQBJQWBCMOETLW-UHFFFAOYSA-N 0 3 352.410 2.964 20 5 FFBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2cccnc2-n2cccn2)n1 ZINC000447550485 513505208 /nfs/dbraw/zinc/50/52/08/513505208.db2.gz NIICQJXXHWNNRD-JKSUJKDBSA-N 0 3 367.413 2.646 20 5 FFBDHN C[C@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)CC[C@@H]1N1CCN(C)CC1 ZINC000413214015 513525116 /nfs/dbraw/zinc/52/51/16/513525116.db2.gz KSVBLHLCOYSMIT-KXBFYZLASA-N 0 3 369.469 2.605 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@H](c4nc[nH]n4)C3)cs2)c1 ZINC000425361058 513528079 /nfs/dbraw/zinc/52/80/79/513528079.db2.gz XBYVGYJOMWTDCW-LBPRGKRZSA-N 0 3 356.411 2.826 20 5 FFBDHN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NC[C@@H]1CCCCN1C1CC1 ZINC000447813616 513578477 /nfs/dbraw/zinc/57/84/77/513578477.db2.gz SRJBCVFRMJYBIU-SFHVURJKSA-N 0 3 374.485 2.856 20 5 FFBDHN CC(C)(C)OC(=O)CC[C@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000425477457 513588715 /nfs/dbraw/zinc/58/87/15/513588715.db2.gz OCTMZXSUWYWSFP-CQSZACIVSA-N 0 3 352.435 2.768 20 5 FFBDHN Cc1cc(NCC2(CS(C)(=O)=O)CCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000413584588 513725329 /nfs/dbraw/zinc/72/53/29/513725329.db2.gz QSGBCQKPLACVKK-UHFFFAOYSA-N 0 3 363.439 2.500 20 5 FFBDHN Cc1c(NC(=O)[C@H](C)N2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000451428944 513746260 /nfs/dbraw/zinc/74/62/60/513746260.db2.gz WVRSOEDPENAZCP-LBTBCDHLSA-N 0 3 361.442 2.856 20 5 FFBDHN CN(C)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)c(F)c1 ZINC000413904518 513873299 /nfs/dbraw/zinc/87/32/99/513873299.db2.gz UDKGPZVDWITJQH-UHFFFAOYSA-N 0 3 353.375 2.988 20 5 FFBDHN CCOc1ccc([C@H](C)NCC2(CS(C)(=O)=O)CCC2)cc1[N+](=O)[O-] ZINC000414329625 514050140 /nfs/dbraw/zinc/05/01/40/514050140.db2.gz OUWGOFXSFPJGKY-ZDUSSCGKSA-N 0 3 370.471 2.859 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000444005877 514097507 /nfs/dbraw/zinc/09/75/07/514097507.db2.gz UGDVELKDLLKIQI-MRXNPFEDSA-N 0 3 373.457 2.794 20 5 FFBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1cccc(N2CCOCC2)n1 ZINC000449259005 514132946 /nfs/dbraw/zinc/13/29/46/514132946.db2.gz RYKKJPAAZBXRGE-HNNXBMFYSA-N 0 3 356.426 2.547 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2NCCc3ccccc32)c1 ZINC000423682408 514199374 /nfs/dbraw/zinc/19/93/74/514199374.db2.gz VWPASGJHVPYZEI-KRWDZBQOSA-N 0 3 355.394 2.610 20 5 FFBDHN CC[C@@H](NCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-])[C@H](C)O ZINC000449537618 514247176 /nfs/dbraw/zinc/24/71/76/514247176.db2.gz GFNHBMDQTIBPAX-GXSJLCMTSA-N 0 3 366.336 2.794 20 5 FFBDHN Cc1cc(NC(=O)NCCCN2CCCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000433069157 514370705 /nfs/dbraw/zinc/37/07/05/514370705.db2.gz BZGKXUTZYOSOBJ-CQSZACIVSA-N 0 3 350.419 2.526 20 5 FFBDHN CC(C)c1ccc(CN2CCC[C@@H](n3cc(CN)nn3)C2)cc1[N+](=O)[O-] ZINC000415132313 514459281 /nfs/dbraw/zinc/45/92/81/514459281.db2.gz TYXAOZQBZQNQDA-MRXNPFEDSA-N 0 3 358.446 2.606 20 5 FFBDHN Cc1cc(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)cc([N+](=O)[O-])c1 ZINC000428535103 514492119 /nfs/dbraw/zinc/49/21/19/514492119.db2.gz JGBDVPJEGFZKDD-SFHVURJKSA-N 0 3 355.394 2.722 20 5 FFBDHN COc1ccc([C@@H](CNc2ncc([N+](=O)[O-])c(C)n2)N2CCCC2)cc1 ZINC000450212563 514543863 /nfs/dbraw/zinc/54/38/63/514543863.db2.gz DFITVEDAMGCZQB-QGZVFWFLSA-N 0 3 357.414 2.951 20 5 FFBDHN Cc1ccc(S(=O)(=O)N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000470615180 514550134 /nfs/dbraw/zinc/55/01/34/514550134.db2.gz USRMEGASIZINGR-ZNMIVQPWSA-N 0 3 369.487 2.548 20 5 FFBDHN CCOC(=O)[C@@]1(COC)CCCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000439474915 514560298 /nfs/dbraw/zinc/56/02/98/514560298.db2.gz XVLOCNLZUAEBPU-KSSFIOAISA-N 0 3 350.415 2.948 20 5 FFBDHN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475315400 514616390 /nfs/dbraw/zinc/61/63/90/514616390.db2.gz XBYYLFOAOAOFBX-IBGZPJMESA-N 0 3 353.422 2.870 20 5 FFBDHN CN(C)C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000488910366 514631067 /nfs/dbraw/zinc/63/10/67/514631067.db2.gz KWHDERQDALPAMA-INIZCTEOSA-N 0 3 360.389 2.565 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458218790 514638346 /nfs/dbraw/zinc/63/83/46/514638346.db2.gz HMNPSWXURAUOEY-UHFFFAOYSA-N 0 3 363.439 2.869 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1CCCC[C@H]1OC(F)F ZINC000502580821 514705868 /nfs/dbraw/zinc/70/58/68/514705868.db2.gz VETGBFYTFCZADE-TZMCWYRMSA-N 0 3 357.357 2.982 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)CCCN1c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000484642770 514726010 /nfs/dbraw/zinc/72/60/10/514726010.db2.gz VRBSXXNQACPRGS-HNNXBMFYSA-N 0 3 368.437 2.795 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1CCCC[C@H]1n1cccn1 ZINC000484653710 514733287 /nfs/dbraw/zinc/73/32/87/514733287.db2.gz QUPWCFCCCXLBAX-LSDHHAIUSA-N 0 3 357.414 2.812 20 5 FFBDHN CCC1(CC)[C@H](N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1OC ZINC000479892747 514762150 /nfs/dbraw/zinc/76/21/50/514762150.db2.gz VFBYXVOEUGXDLD-BRWVUGGUSA-N 0 3 361.442 2.883 20 5 FFBDHN COC(=O)COc1ccc(CN2CCCC[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000475707023 514770670 /nfs/dbraw/zinc/77/06/70/514770670.db2.gz XOMYWZSVFOGZOD-CQSZACIVSA-N 0 3 368.455 2.864 20 5 FFBDHN COc1cc(CN[C@H]2CC[C@H](OC)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000471796198 515013391 /nfs/dbraw/zinc/01/33/91/515013391.db2.gz CQGWVTAACZNJER-RYUDHWBXSA-N 0 3 360.357 2.904 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC(C)(C)CN2CCCC2)cc1C ZINC000480754291 515071847 /nfs/dbraw/zinc/07/18/47/515071847.db2.gz DCEBQOANDIRKGX-UHFFFAOYSA-N 0 3 369.487 2.612 20 5 FFBDHN CN(C)CCOCCNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000498907441 515111678 /nfs/dbraw/zinc/11/16/78/515111678.db2.gz NBFKTIGNPFWBMR-UHFFFAOYSA-N 0 3 357.410 2.816 20 5 FFBDHN CCOC(=O)c1cc(NC[C@]2(N(C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000467795823 515122637 /nfs/dbraw/zinc/12/26/37/515122637.db2.gz DBRGCKZWMWBQNS-MRXNPFEDSA-N 0 3 353.444 2.621 20 5 FFBDHN CCCC[C@H](NCCc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(C)on1 ZINC000467979261 515185599 /nfs/dbraw/zinc/18/55/99/515185599.db2.gz LBDUAKVWXQISCH-HNNXBMFYSA-N 0 3 360.414 2.643 20 5 FFBDHN Cn1c(C(=O)NCC2CCN(Cc3cccs3)CC2)ccc1[N+](=O)[O-] ZINC000499515435 515354451 /nfs/dbraw/zinc/35/44/51/515354451.db2.gz WSJYNIQUMRMKDB-UHFFFAOYSA-N 0 3 362.455 2.637 20 5 FFBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000468468298 515371881 /nfs/dbraw/zinc/37/18/81/515371881.db2.gz QAINQNCICTYZPL-QGZVFWFLSA-N 0 3 371.441 2.631 20 5 FFBDHN CC[C@@H]1CCCCN1CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000499724389 515428438 /nfs/dbraw/zinc/42/84/38/515428438.db2.gz RLDXMNBQZNKADM-MRXNPFEDSA-N 0 3 371.441 2.775 20 5 FFBDHN CCOC(=O)C[C@](C)(NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000481707883 515433248 /nfs/dbraw/zinc/43/32/48/515433248.db2.gz QTRPNAONAHOWOA-SFHVURJKSA-N 0 3 365.430 2.515 20 5 FFBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC(=O)NCCc1ccccc1 ZINC000468654167 515453897 /nfs/dbraw/zinc/45/38/97/515453897.db2.gz UJRWRWABOJCQMG-FOWTUZBSSA-N 0 3 353.422 2.947 20 5 FFBDHN Cc1c(Br)cc(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000510443604 515542800 /nfs/dbraw/zinc/54/28/00/515542800.db2.gz OQVWYEKAOYPNME-CABZTGNLSA-N 0 3 370.247 2.878 20 5 FFBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCO[C@@H]1c1cccnc1 ZINC000492876407 515573071 /nfs/dbraw/zinc/57/30/71/515573071.db2.gz QHTAQFUKPHQPCI-SOVGHPHASA-N 0 3 370.409 2.827 20 5 FFBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000510541904 515577703 /nfs/dbraw/zinc/57/77/03/515577703.db2.gz VOLBAZBSTUYZLL-KUHUBIRLSA-N 0 3 373.457 2.606 20 5 FFBDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1N)N(C)C ZINC000510551404 515583324 /nfs/dbraw/zinc/58/33/24/515583324.db2.gz UFQSAZAHUYMYGQ-UGSOOPFHSA-N 0 3 356.426 2.907 20 5 FFBDHN Cc1cc(N2CC[C@H]3CCN(C)C[C@@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000486670461 515588194 /nfs/dbraw/zinc/58/81/94/515588194.db2.gz KLWVJWZQFLADNW-PBHICJAKSA-N 0 3 353.426 2.891 20 5 FFBDHN COc1cc(CN2C[C@H](C)N(C)C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000505627286 515614720 /nfs/dbraw/zinc/61/47/20/515614720.db2.gz BXKANRXTAPVJIS-RYUDHWBXSA-N 0 3 373.400 2.772 20 5 FFBDHN COc1cc(CNC[C@H]2CCC[C@H](O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493600448 515645842 /nfs/dbraw/zinc/64/58/42/515645842.db2.gz CPUPONBGYZVQRX-AAEUAGOBSA-N 0 3 374.384 2.888 20 5 FFBDHN CC(C)N1CC[C@H](N(C)C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000457116059 515662086 /nfs/dbraw/zinc/66/20/86/515662086.db2.gz LERVPYZZXYSYLH-OCCSQVGLSA-N 0 3 369.849 2.957 20 5 FFBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCc2nn(C)cc21 ZINC000511004251 515742895 /nfs/dbraw/zinc/74/28/95/515742895.db2.gz YXJYLRBUFDCBPD-MLGOLLRUSA-N 0 3 357.414 2.713 20 5 FFBDHN Cc1c(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000478456914 515830593 /nfs/dbraw/zinc/83/05/93/515830593.db2.gz IZPZFAAFQDTHJS-SFHVURJKSA-N 0 3 368.437 2.977 20 5 FFBDHN COC(=O)COc1ccc(CN[C@@H](C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000474025137 515848470 /nfs/dbraw/zinc/84/84/70/515848470.db2.gz WXOXSHYZMORYNY-VIFPVBQESA-N 0 3 350.293 2.577 20 5 FFBDHN Cc1ccsc1[C@@H](CO)NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000494644840 515907250 /nfs/dbraw/zinc/90/72/50/515907250.db2.gz FAKJRKAXUSRPII-OAHLLOKOSA-N 0 3 363.439 2.925 20 5 FFBDHN COc1cc(CN[C@@H]2CCN(C3CC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494696288 515930214 /nfs/dbraw/zinc/93/02/14/515930214.db2.gz GPMBCBWWIJXOCD-GFCCVEGCSA-N 0 3 371.384 2.574 20 5 FFBDHN Cc1c(CNC(=O)NCCN(C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000478808563 515971349 /nfs/dbraw/zinc/97/13/49/515971349.db2.gz AJTZCXXJAMCKEG-UHFFFAOYSA-N 0 3 356.426 2.834 20 5 FFBDHN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC000460215059 516070099 /nfs/dbraw/zinc/07/00/99/516070099.db2.gz PXTNQDGXPKFQNH-ZIAGYGMSSA-N 0 3 358.446 2.792 20 5 FFBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000511901076 516073942 /nfs/dbraw/zinc/07/39/42/516073942.db2.gz FZDSUKWQMMFINP-SFHVURJKSA-N 0 3 360.458 2.796 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000488475659 516234572 /nfs/dbraw/zinc/23/45/72/516234572.db2.gz JRGBBCHHLSPYIU-GOEBONIOSA-N 0 3 356.426 2.574 20 5 FFBDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1csc([N+](=O)[O-])c1 ZINC000496346247 516254637 /nfs/dbraw/zinc/25/46/37/516254637.db2.gz XXKHIOVNENQBMI-UHFFFAOYSA-N 0 3 351.403 2.999 20 5 FFBDHN CCCN(CCN1CCCC1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000512456055 516285215 /nfs/dbraw/zinc/28/52/15/516285215.db2.gz KFCSQWCCJOWLHH-UHFFFAOYSA-N 0 3 359.430 2.953 20 5 FFBDHN CC(C)NC(=O)c1ccc(N2CCN([C@H]3C[C@H]3C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000488716165 516293255 /nfs/dbraw/zinc/29/32/55/516293255.db2.gz QYQXYXXDHYYAHS-RKVPGOIHSA-N 0 3 374.485 2.900 20 5 FFBDHN CSC1(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCN(C)CC1 ZINC000460978759 516295849 /nfs/dbraw/zinc/29/58/49/516295849.db2.gz KDQCKTGRUUOIPT-UHFFFAOYSA-N 0 3 362.455 2.633 20 5 FFBDHN C[C@H](NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000484135243 516302507 /nfs/dbraw/zinc/30/25/07/516302507.db2.gz QXUMMAZSEFIAAK-JXFKEZNVSA-N 0 3 355.438 2.882 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H]2CCCOc3ccccc32)c1 ZINC000517556133 516362237 /nfs/dbraw/zinc/36/22/37/516362237.db2.gz GIICCSCZBRPECL-QAPCUYQASA-N 0 3 358.394 2.838 20 5 FFBDHN CN(CCC1CCN(c2ccncc2)CC1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000539986708 516390166 /nfs/dbraw/zinc/39/01/66/516390166.db2.gz VOVLYCNUXUBBCE-UHFFFAOYSA-N 0 3 357.414 2.697 20 5 FFBDHN CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NCc2cccc([N+](=O)[O-])c2)s1 ZINC000513074481 516462728 /nfs/dbraw/zinc/46/27/28/516462728.db2.gz HHIDDVNAGSHFIV-QWRGUYRKSA-N 0 3 363.443 2.762 20 5 FFBDHN CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NCc2ccc([N+](=O)[O-])cc2)s1 ZINC000513106082 516475360 /nfs/dbraw/zinc/47/53/60/516475360.db2.gz GOMYFCLDJKUZOK-WDEREUQCSA-N 0 3 363.443 2.762 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCCCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000543903478 516491513 /nfs/dbraw/zinc/49/15/13/516491513.db2.gz ICUXCKCXMLMMFN-ZIAGYGMSSA-N 0 3 365.430 2.683 20 5 FFBDHN COC(C)(C)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000554971467 516726028 /nfs/dbraw/zinc/72/60/28/516726028.db2.gz NGAMKXWAZKUJJN-UHFFFAOYSA-N 0 3 364.183 2.714 20 5 FFBDHN C[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)N(C)Cc1ccccc1 ZINC000544395651 516740967 /nfs/dbraw/zinc/74/09/67/516740967.db2.gz GXILYSQMTYGYGR-AWEZNQCLSA-N 0 3 351.410 2.892 20 5 FFBDHN CCN1CCC(N(C)C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000541028545 516838122 /nfs/dbraw/zinc/83/81/22/516838122.db2.gz BIFWFSCAIKUARZ-UHFFFAOYSA-N 0 3 357.357 2.753 20 5 FFBDHN C[C@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCC[C@@H]1C ZINC000519098925 516884182 /nfs/dbraw/zinc/88/41/82/516884182.db2.gz AMUZZHSQNJOKRY-LSDHHAIUSA-N 0 3 371.441 2.773 20 5 FFBDHN CN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@@H]1CCN(C2CC2)C1 ZINC000514225987 516912433 /nfs/dbraw/zinc/91/24/33/516912433.db2.gz FYDRUIHQMZTTBT-GFCCVEGCSA-N 0 3 355.341 2.505 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCCOc2ccc(Cl)cc2)c1 ZINC000551888159 516931746 /nfs/dbraw/zinc/93/17/46/516931746.db2.gz OFDDVKBDCCFNEZ-OAHLLOKOSA-N 0 3 366.801 2.657 20 5 FFBDHN CC(C)c1nc(CCNC[C@H](O)COc2ccccc2[N+](=O)[O-])cs1 ZINC000514788339 517056819 /nfs/dbraw/zinc/05/68/19/517056819.db2.gz IRPMABWEWQBMJS-AWEZNQCLSA-N 0 3 365.455 2.747 20 5 FFBDHN COC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC000541592895 517127798 /nfs/dbraw/zinc/12/77/98/517127798.db2.gz HQDBIVUWVDKFMS-CYBMUJFWSA-N 0 3 374.235 2.556 20 5 FFBDHN C[C@H]1CCN(CCNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000525804402 517172050 /nfs/dbraw/zinc/17/20/50/517172050.db2.gz VMKHHAGHWVMBTC-LBPRGKRZSA-N 0 3 360.439 2.790 20 5 FFBDHN COc1ccccc1OCCNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000548825492 517238774 /nfs/dbraw/zinc/23/87/74/517238774.db2.gz XZVCJQHGFBGYNL-UHFFFAOYSA-N 0 3 359.382 2.601 20 5 FFBDHN COc1ccc(CN(C)C)cc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000515582126 517411253 /nfs/dbraw/zinc/41/12/53/517411253.db2.gz GZBYMKDHDKRLTI-UHFFFAOYSA-N 0 3 373.409 2.991 20 5 FFBDHN CCN(C(=O)c1c[nH]nc1[N+](=O)[O-])[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000549217822 517462485 /nfs/dbraw/zinc/46/24/85/517462485.db2.gz AAYSCILHEKFKBO-DZGCQCFKSA-N 0 3 357.414 2.616 20 5 FFBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@H]1[C@@H]1CCCO1 ZINC000556521443 517476685 /nfs/dbraw/zinc/47/66/85/517476685.db2.gz WVKAUKSAYNDZNK-HOCLYGCPSA-N 0 3 361.398 2.536 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000542404963 517543401 /nfs/dbraw/zinc/54/34/01/517543401.db2.gz CQCAWXXSPBUPSW-MFKMUULPSA-N 0 3 369.874 2.939 20 5 FFBDHN CCCN(CCN1CCCCC1)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000553150871 517545656 /nfs/dbraw/zinc/54/56/56/517545656.db2.gz JCJBLYHNUXGGAR-UHFFFAOYSA-N 0 3 351.451 2.779 20 5 FFBDHN CCCN(CCN1CCCCC1)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000553150871 517545663 /nfs/dbraw/zinc/54/56/63/517545663.db2.gz JCJBLYHNUXGGAR-UHFFFAOYSA-N 0 3 351.451 2.779 20 5 FFBDHN O=[N+]([O-])c1cc(CNC[C@]2(O)CCOC2)ccc1Oc1ccc(F)cc1 ZINC000533636666 517556076 /nfs/dbraw/zinc/55/60/76/517556076.db2.gz FUJSVNQQHLSTAE-GOSISDBHSA-N 0 3 362.357 2.767 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC(C)(C)N1CCC(OC)CC1 ZINC000520974005 517565830 /nfs/dbraw/zinc/56/58/30/517565830.db2.gz MSYGBEABVWUQSS-UHFFFAOYSA-N 0 3 365.474 2.973 20 5 FFBDHN Cc1nn(C)c(NCc2ccc(OCCN3CCCC3)cc2)c1[N+](=O)[O-] ZINC000521118839 517618760 /nfs/dbraw/zinc/61/87/60/517618760.db2.gz OUMAKADHUAQSGX-UHFFFAOYSA-N 0 3 359.430 2.723 20 5 FFBDHN CCCN1CCC[C@H]1CNC(=O)c1cc(OCC)c(OC)cc1[N+](=O)[O-] ZINC000553351868 517661949 /nfs/dbraw/zinc/66/19/49/517661949.db2.gz GNENTJTZXIMANG-ZDUSSCGKSA-N 0 3 365.430 2.606 20 5 FFBDHN CNC(=O)[C@H](CNCc1cccc([N+](=O)[O-])c1)Cc1ccc(F)cc1C ZINC000563121585 517672722 /nfs/dbraw/zinc/67/27/22/517672722.db2.gz QFOABPAOXWRJJY-INIZCTEOSA-N 0 3 359.401 2.737 20 5 FFBDHN Cc1cc(CN(C)C)cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000533973425 517690538 /nfs/dbraw/zinc/69/05/38/517690538.db2.gz HLIAHWDQYWSVKB-UHFFFAOYSA-N 0 3 357.366 2.946 20 5 FFBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000516623379 517774095 /nfs/dbraw/zinc/77/40/95/517774095.db2.gz LMBOFUVLFJHPMG-SWLSCSKDSA-N 0 3 372.400 2.881 20 5 FFBDHN C[C@H]1CN(CCCCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@H](C)O1 ZINC000534256498 517807335 /nfs/dbraw/zinc/80/73/35/517807335.db2.gz QMAXMXOQPOXZSI-KBPBESRZSA-N 0 3 374.441 2.695 20 5 FFBDHN COC1CCN(C(C)(C)CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000521682964 517826749 /nfs/dbraw/zinc/82/67/49/517826749.db2.gz LNKRLIYXRRNFGI-UHFFFAOYSA-N 0 3 369.849 2.867 20 5 FFBDHN COc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000542962142 517839242 /nfs/dbraw/zinc/83/92/42/517839242.db2.gz OFYQIUGISBLUBJ-MRXNPFEDSA-N 0 3 370.409 2.999 20 5 FFBDHN CC(C)Oc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)N(C)C)cc1 ZINC000553670473 517841962 /nfs/dbraw/zinc/84/19/62/517841962.db2.gz JBSILCMMPXZXAH-KRWDZBQOSA-N 0 3 374.441 2.753 20 5 FFBDHN CC(C)Oc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)N(C)C)cc1 ZINC000553670474 517842138 /nfs/dbraw/zinc/84/21/38/517842138.db2.gz JBSILCMMPXZXAH-QGZVFWFLSA-N 0 3 374.441 2.753 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(Cc3cccnc3)CC2)c1 ZINC000538942855 517857806 /nfs/dbraw/zinc/85/78/06/517857806.db2.gz HONJKCSNKSHZAR-IBGZPJMESA-N 0 3 371.437 2.684 20 5 FFBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H](C)C1 ZINC000553783338 517901313 /nfs/dbraw/zinc/90/13/13/517901313.db2.gz OZMWPIGUTHHVIB-KSMMKXTCSA-N 0 3 370.453 2.807 20 5 FFBDHN CC(C)C[C@@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000557393529 517988155 /nfs/dbraw/zinc/98/81/55/517988155.db2.gz SQFNXLGTFHMHHP-ZWKOTPCHSA-N 0 3 359.474 2.984 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1-c1nc(-c2ccnc(OCCN(C)C)c2)no1 ZINC000547198560 518019061 /nfs/dbraw/zinc/01/90/61/518019061.db2.gz XPNKULPBTNVGKX-UHFFFAOYSA-N 0 3 369.381 2.956 20 5 FFBDHN CSC1C(=O)Nc2ccc(-c3noc(-c4cc([N+](=O)[O-])c[nH]4)n3)cc21 ZINC000547202227 518019303 /nfs/dbraw/zinc/01/93/03/518019303.db2.gz ANASAPNXKHTXNG-LBPRGKRZSA-N 0 3 357.351 2.996 20 5 FFBDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000560841476 518058605 /nfs/dbraw/zinc/05/86/05/518058605.db2.gz IZCZECCSOXGZPQ-QGZVFWFLSA-N 0 3 357.410 2.945 20 5 FFBDHN CN(C)CCOc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000517410190 518141695 /nfs/dbraw/zinc/14/16/95/518141695.db2.gz HELAMSNDOHXQNH-UHFFFAOYSA-N 0 3 373.365 2.516 20 5 FFBDHN CC(=O)NCCN(Cc1cccc([N+](=O)[O-])c1C)C1CCSCC1 ZINC000578527005 518252469 /nfs/dbraw/zinc/25/24/69/518252469.db2.gz NIZMBNIYAOLBRP-UHFFFAOYSA-N 0 3 351.472 2.737 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN(C)C2(CCCCC2)C1 ZINC000581437317 518286003 /nfs/dbraw/zinc/28/60/03/518286003.db2.gz IPUWMJOIJKONAL-UHFFFAOYSA-N 0 3 360.458 2.792 20 5 FFBDHN COc1c(C(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000584414210 518330527 /nfs/dbraw/zinc/33/05/27/518330527.db2.gz LWHICYBXWDGCCB-HXUWFJFHSA-N 0 3 369.421 2.998 20 5 FFBDHN CCn1cc([C@@H]2NC(=O)CC[C@H]2N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000581643197 518384064 /nfs/dbraw/zinc/38/40/64/518384064.db2.gz OLIVRWYXDIXEAE-IRWQIABSSA-N 0 3 371.441 2.790 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCCc1cc2ccccc2o1 ZINC000584834709 518500224 /nfs/dbraw/zinc/50/02/24/518500224.db2.gz WFKLQSCAJWVZBN-OAHLLOKOSA-N 0 3 356.378 2.913 20 5 FFBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCCN(C)Cc1ccco1 ZINC000570267150 518524906 /nfs/dbraw/zinc/52/49/06/518524906.db2.gz IUOKIMWHBGJRGY-HNNXBMFYSA-N 0 3 374.441 2.969 20 5 FFBDHN CCOc1cc(C)ccc1CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564850063 518652588 /nfs/dbraw/zinc/65/25/88/518652588.db2.gz PJMNUTZLHNTLEU-KRWDZBQOSA-N 0 3 360.410 2.831 20 5 FFBDHN C[C@H]1[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000588771273 518826319 /nfs/dbraw/zinc/82/63/19/518826319.db2.gz QSRVJIABOBWDMP-HNAYVOBHSA-N 0 3 353.422 2.917 20 5 FFBDHN COc1ccc(-c2ccc(CN3CC[C@H](CC(N)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000589209244 518951177 /nfs/dbraw/zinc/95/11/77/518951177.db2.gz BARCJYZNZNUGRR-GFCCVEGCSA-N 0 3 359.382 2.561 20 5 FFBDHN CC(=O)N1CC[C@@H](CN(C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000582859446 518957689 /nfs/dbraw/zinc/95/76/89/518957689.db2.gz LPHKWEDSXWVGKW-LBPRGKRZSA-N 0 3 359.348 2.914 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(C)C2(CCCCC2)C1 ZINC000580089958 519003268 /nfs/dbraw/zinc/00/32/68/519003268.db2.gz GANIOAQDBWNSCE-UHFFFAOYSA-N 0 3 360.458 2.792 20 5 FFBDHN CCc1ccc(S(=O)(=O)N(C)[C@H]2CCN(CC)C[C@H]2C)cc1[N+](=O)[O-] ZINC000577389888 519057247 /nfs/dbraw/zinc/05/72/47/519057247.db2.gz BXWSELGHVYGDNJ-CJNGLKHVSA-N 0 3 369.487 2.508 20 5 FFBDHN COc1cc(CN[C@@H]2CC[C@@](O)(C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000589939000 519109121 /nfs/dbraw/zinc/10/91/21/519109121.db2.gz LSHZEVYOQMWUPW-YGRLFVJLSA-N 0 3 364.320 2.548 20 5 FFBDHN CCOc1ccc([C@@H]2C[C@H]2NC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000583436507 519246703 /nfs/dbraw/zinc/24/67/03/519246703.db2.gz KSJFOLZQVXLFCD-FFZOFVMBSA-N 0 3 372.421 2.879 20 5 FFBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCNC[C@H](O)C(F)(F)F ZINC000566107770 519303792 /nfs/dbraw/zinc/30/37/92/519303792.db2.gz PCSYNRXTVGKKFQ-JTQLQIEISA-N 0 3 361.242 2.538 20 5 FFBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCNC[C@@H](O)C(F)(F)F ZINC000566107774 519304522 /nfs/dbraw/zinc/30/45/22/519304522.db2.gz PCSYNRXTVGKKFQ-SNVBAGLBSA-N 0 3 361.242 2.538 20 5 FFBDHN C[C@@]1(NC(=O)COc2cccc([N+](=O)[O-])c2)CCN(Cc2ccccc2)C1 ZINC000566320212 519430147 /nfs/dbraw/zinc/43/01/47/519430147.db2.gz ZTCXVRKPOIKDDP-HXUWFJFHSA-N 0 3 369.421 2.754 20 5 FFBDHN CCN1CCC[C@H]1CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590926384 519437216 /nfs/dbraw/zinc/43/72/16/519437216.db2.gz OGIPBPXYRCMRHV-WMZOPIPTSA-N 0 3 360.458 2.968 20 5 FFBDHN CC(C)[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C2CC2)CCN1C ZINC000566383198 519464991 /nfs/dbraw/zinc/46/49/91/519464991.db2.gz ALRKKBITRPQKHY-QGZVFWFLSA-N 0 3 370.457 2.965 20 5 FFBDHN CC(C)(NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1 ZINC000591018754 519480065 /nfs/dbraw/zinc/48/00/65/519480065.db2.gz KPWARIJGWFUAKW-UHFFFAOYSA-N 0 3 370.409 2.930 20 5 FFBDHN C[C@@H](C(=O)Nc1ccnc(OCCN(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000572223941 519502971 /nfs/dbraw/zinc/50/29/71/519502971.db2.gz GCLVWQLDWXXETM-CYBMUJFWSA-N 0 3 358.398 2.672 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1cccc(OC(F)F)c1 ZINC000566615320 519578859 /nfs/dbraw/zinc/57/88/59/519578859.db2.gz IUZAQCYQOAXWNC-CYBMUJFWSA-N 0 3 368.336 2.726 20 5 FFBDHN C[C@H](C(=O)NCC1(N(C)C)Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000584087882 519583365 /nfs/dbraw/zinc/58/33/65/519583365.db2.gz NRMAXLNYFKBBBZ-HNNXBMFYSA-N 0 3 367.449 2.914 20 5 FFBDHN CCOc1cc(CN[C@@H]([C@H]2CCCO2)C2(CO)CCC2)ccc1[N+](=O)[O-] ZINC000602891743 519953665 /nfs/dbraw/zinc/95/36/65/519953665.db2.gz OLPBUSFINJZTGX-AEFFLSMTSA-N 0 3 364.442 2.793 20 5 FFBDHN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC(N2CCCOCC2)CC1 ZINC000600007478 519998106 /nfs/dbraw/zinc/99/81/06/519998106.db2.gz UJVRKTVODFCAGQ-UHFFFAOYSA-N 0 3 367.833 2.575 20 5 FFBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000591686208 519998424 /nfs/dbraw/zinc/99/84/24/519998424.db2.gz SMNAZTPEWWMCOG-HOTGVXAUSA-N 0 3 372.400 2.637 20 5 FFBDHN NC(=O)c1ccccc1N1CC[C@@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000594494945 520001881 /nfs/dbraw/zinc/00/18/81/520001881.db2.gz INVIWTITIQWELS-CXAGYDPISA-N 0 3 366.421 2.550 20 5 FFBDHN O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1)C1CC1 ZINC000594513913 520010466 /nfs/dbraw/zinc/01/04/66/520010466.db2.gz UUKNJLORFHAFNU-ZBFHGGJFSA-N 0 3 357.414 2.675 20 5 FFBDHN Cc1ccc(CCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000594716737 520107890 /nfs/dbraw/zinc/10/78/90/520107890.db2.gz UZGCNRILOGPSIC-UHFFFAOYSA-N 0 3 362.451 2.818 20 5 FFBDHN Cn1c(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000609018353 520179095 /nfs/dbraw/zinc/17/90/95/520179095.db2.gz VHJWZDDDEUJUNA-INIZCTEOSA-N 0 3 356.426 2.890 20 5 FFBDHN Cn1cc(C[C@H]2CCC[C@H]2NCc2cc([N+](=O)[O-])cc3c2OCOC3)cn1 ZINC000594980810 520242667 /nfs/dbraw/zinc/24/26/67/520242667.db2.gz SPMHYOQFFDBBOR-RDTXWAMCSA-N 0 3 372.425 2.696 20 5 FFBDHN COc1cc(CNC[C@@H](O)[C@H](C)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000595000863 520251159 /nfs/dbraw/zinc/25/11/59/520251159.db2.gz ODXMOMVTVMLSHC-CXAGYDPISA-N 0 3 360.410 2.866 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CCCN(c2cc(C)nn2C)C1 ZINC000595048922 520269714 /nfs/dbraw/zinc/26/97/14/520269714.db2.gz SOAVRWJSEQQQME-GJZGRUSLSA-N 0 3 373.457 2.965 20 5 FFBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2cnc(C(F)(F)F)nc2)n1 ZINC000595058535 520272809 /nfs/dbraw/zinc/27/28/09/520272809.db2.gz CODOYIOPPXSZND-RYUDHWBXSA-N 0 3 370.335 2.874 20 5 FFBDHN O=C(NC[C@H]1CCN1C1CCCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000600469591 520278155 /nfs/dbraw/zinc/27/81/55/520278155.db2.gz CKVQCKBUGLSIKI-CYBMUJFWSA-N 0 3 369.368 2.943 20 5 FFBDHN CS(=O)(=O)C1(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])CCCCC1 ZINC000595079764 520284117 /nfs/dbraw/zinc/28/41/17/520284117.db2.gz YMTGGQGLHFEBKF-HNNXBMFYSA-N 0 3 352.456 2.919 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCN2C(C)(C)C)cc1SC ZINC000597857674 520285894 /nfs/dbraw/zinc/28/58/94/520285894.db2.gz ITDKEPVDIJKNTR-LLVKDONJSA-N 0 3 367.471 2.928 20 5 FFBDHN CC(C)[C@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1 ZINC000592241495 520286587 /nfs/dbraw/zinc/28/65/87/520286587.db2.gz DMLBOSPFPDSNKD-CQSZACIVSA-N 0 3 360.439 2.788 20 5 FFBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000609346921 520289330 /nfs/dbraw/zinc/28/93/30/520289330.db2.gz WBHBNMZSCYGXGT-GASCZTMLSA-N 0 3 371.441 2.773 20 5 FFBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000609346501 520289697 /nfs/dbraw/zinc/28/96/97/520289697.db2.gz INJPEQSSEOKAPK-GASCZTMLSA-N 0 3 371.441 2.773 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC(C)(C)[C@@]1(O)CCCOC1 ZINC000595093495 520291297 /nfs/dbraw/zinc/29/12/97/520291297.db2.gz BMRBVPIDMAXERI-SCLBCKFNSA-N 0 3 352.431 2.822 20 5 FFBDHN COc1ccc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc1[N+](=O)[O-] ZINC000595258299 520376431 /nfs/dbraw/zinc/37/64/31/520376431.db2.gz TXRPHQHJVBYQCV-QGZVFWFLSA-N 0 3 357.366 2.517 20 5 FFBDHN O=[N+]([O-])c1ccc(CN[C@]2(CO)CCCN(Cc3ccccc3)C2)cc1 ZINC000609620417 520382522 /nfs/dbraw/zinc/38/25/22/520382522.db2.gz DZRUDBYKQNLRTH-HXUWFJFHSA-N 0 3 355.438 2.712 20 5 FFBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)N1CCCC1 ZINC000610063770 520520891 /nfs/dbraw/zinc/52/08/91/520520891.db2.gz GSLZWEJCBAGZRE-SNVBAGLBSA-N 0 3 356.220 2.571 20 5 FFBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000598262997 520527875 /nfs/dbraw/zinc/52/78/75/520527875.db2.gz OMQXPPMVGOWSIK-OAHLLOKOSA-N 0 3 371.441 2.631 20 5 FFBDHN CCN1CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000595535654 520532456 /nfs/dbraw/zinc/53/24/56/520532456.db2.gz IUWOMFAXBVIOCY-GFCCVEGCSA-N 0 3 354.838 2.603 20 5 FFBDHN O=[N+]([O-])c1ccn(CCN2CCC(Cc3nc4ccccc4[nH]3)CC2)n1 ZINC000595550553 520547900 /nfs/dbraw/zinc/54/79/00/520547900.db2.gz BYRRVOPZZRPCGM-UHFFFAOYSA-N 0 3 354.414 2.622 20 5 FFBDHN Cc1ccc(C(=O)NCC2(N(C)C)Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000610180393 520569813 /nfs/dbraw/zinc/56/98/13/520569813.db2.gz GMFHCYJICXCTFZ-UHFFFAOYSA-N 0 3 353.422 2.732 20 5 FFBDHN O=C(Nc1ccc(CN2CCC(O)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000604539197 520592622 /nfs/dbraw/zinc/59/26/22/520592622.db2.gz XVPUOIQJSKMPHV-UHFFFAOYSA-N 0 3 355.394 2.804 20 5 FFBDHN O=[N+]([O-])c1cc(F)cnc1NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000601113552 520641951 /nfs/dbraw/zinc/64/19/51/520641951.db2.gz IBBKLZUTVSFFLT-UHFFFAOYSA-N 0 3 360.389 2.698 20 5 FFBDHN COC[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000595683320 520646515 /nfs/dbraw/zinc/64/65/15/520646515.db2.gz GOLPVSRPAWFPQM-KRWDZBQOSA-N 0 3 373.409 2.909 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](CO)[C@@H](C)c2ccccc2)c1 ZINC000593024423 520691325 /nfs/dbraw/zinc/69/13/25/520691325.db2.gz DOHYXWWECRHGPD-GUYCJALGSA-N 0 3 358.394 2.636 20 5 FFBDHN COC(=O)c1ccnc(Nc2cccc3c2OCC[C@@H]3N(C)C)c1[N+](=O)[O-] ZINC000598623115 520747811 /nfs/dbraw/zinc/74/78/11/520747811.db2.gz VKJZVNAUZRJYLN-AWEZNQCLSA-N 0 3 372.381 2.905 20 5 FFBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@]2(CC2(F)F)C1 ZINC000593118341 520757502 /nfs/dbraw/zinc/75/75/02/520757502.db2.gz QLCQWFUDLZQEON-HNNXBMFYSA-N 0 3 353.325 2.624 20 5 FFBDHN Cc1ccc([C@H](C)NC(=O)N2CCN(c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000610597031 520759102 /nfs/dbraw/zinc/75/91/02/520759102.db2.gz NOVHUBOSXXGPGR-HNNXBMFYSA-N 0 3 369.425 2.891 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CN(C)C)cc1OC ZINC000601621950 520869045 /nfs/dbraw/zinc/86/90/45/520869045.db2.gz QBGHBTTXAIGJDS-UHFFFAOYSA-N 0 3 359.382 2.926 20 5 FFBDHN CCc1ccc(C(=O)Nc2cnn(C3CCN(C)CC3)c2)cc1[N+](=O)[O-] ZINC000601772140 520944042 /nfs/dbraw/zinc/94/40/42/520944042.db2.gz IWJUFHCIXCYITB-UHFFFAOYSA-N 0 3 357.414 2.873 20 5 FFBDHN CN1CCOC[C@H]1CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000599004210 520973999 /nfs/dbraw/zinc/97/39/99/520973999.db2.gz QFZBKRQHBJQKNJ-CYBMUJFWSA-N 0 3 365.817 2.928 20 5 FFBDHN COC(=O)C1CCN(CCCNc2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593455617 521004507 /nfs/dbraw/zinc/00/45/07/521004507.db2.gz UFCCCPXKSOTFOE-UHFFFAOYSA-N 0 3 372.425 2.830 20 5 FFBDHN Cn1ncc(C(F)(F)F)c1CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000599061840 521007314 /nfs/dbraw/zinc/00/73/14/521007314.db2.gz SJTORSDGOPTBLM-RYUDHWBXSA-N 0 3 372.351 2.817 20 5 FFBDHN C[C@@H](NC[C@@H]1CN(Cc2ccncc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000599087242 521024200 /nfs/dbraw/zinc/02/42/00/521024200.db2.gz GUXDHXJVCMTBBU-DNVCBOLYSA-N 0 3 356.426 2.541 20 5 FFBDHN CCn1nc(C)c([N+](=O)[O-])c1NCC1CCN(Cc2ccncc2)CC1 ZINC000596435589 521068359 /nfs/dbraw/zinc/06/83/59/521068359.db2.gz BUIQUEBWYOXYMS-UHFFFAOYSA-N 0 3 358.446 2.839 20 5 FFBDHN CN(C)C[C@@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1ccc(Cl)c(Cl)c1 ZINC000599172055 521069605 /nfs/dbraw/zinc/06/96/05/521069605.db2.gz JMTXJTACHZDLCL-LLVKDONJSA-N 0 3 371.228 2.819 20 5 FFBDHN CCn1c(C)nc([N+](=O)[O-])c1NCC1CCN(Cc2ccncc2)CC1 ZINC000596436712 521070591 /nfs/dbraw/zinc/07/05/91/521070591.db2.gz PFSYOETUFRSNRZ-UHFFFAOYSA-N 0 3 358.446 2.839 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@]1(CO)CCc2ccccc21 ZINC000593653172 521132857 /nfs/dbraw/zinc/13/28/57/521132857.db2.gz VJMRHHBVEREWHM-FQEVSTJZSA-N 0 3 356.422 2.960 20 5 FFBDHN CCN1C[C@H](CNCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1=O ZINC000593690896 521159733 /nfs/dbraw/zinc/15/97/33/521159733.db2.gz XOHINPZIFGXPAC-ZDUSSCGKSA-N 0 3 373.409 2.821 20 5 FFBDHN O=[N+]([O-])c1ccc(CO)c(-c2cccc(OCCN3CCC(O)CC3)c2)c1 ZINC000596634257 521179748 /nfs/dbraw/zinc/17/97/48/521179748.db2.gz HLTJBXSCNIKPBO-UHFFFAOYSA-N 0 3 372.421 2.590 20 5 FFBDHN CC(=O)Nc1ccc(-c2ccccc2CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000596638719 521182851 /nfs/dbraw/zinc/18/28/51/521182851.db2.gz BMBFALSQNIYVNJ-UHFFFAOYSA-N 0 3 368.437 2.968 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCN(Cc2ccccc2)[C@]2(CO)CCOC2)cc1 ZINC000599395762 521197921 /nfs/dbraw/zinc/19/79/21/521197921.db2.gz JVEKQQHBQCYZQA-FQEVSTJZSA-N 0 3 372.421 2.627 20 5 FFBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CC[C@@H](CN2CCOCC2)C1 ZINC000602474185 521364679 /nfs/dbraw/zinc/36/46/79/521364679.db2.gz ITBGCFHEKCPFKH-ZDUSSCGKSA-N 0 3 373.375 2.768 20 5 FFBDHN CN1CCN(C(C)(C)CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602509997 521386933 /nfs/dbraw/zinc/38/69/33/521386933.db2.gz JBWXKDBQZJFZJT-UHFFFAOYSA-N 0 3 374.407 2.729 20 5 FFBDHN COC[C@H](CCNCc1cc(Br)c([N+](=O)[O-])s1)OC ZINC000602706518 521486801 /nfs/dbraw/zinc/48/68/01/521486801.db2.gz PCRLMYZCZSRQKZ-QMMMGPOBSA-N 0 3 353.238 2.560 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](NCCC2CS(=O)(=O)C2)c2ccccc2)c1 ZINC000615761610 521523298 /nfs/dbraw/zinc/52/32/98/521523298.db2.gz VIFUXMIDBONXKR-GOSISDBHSA-N 0 3 360.435 2.709 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(Cc2ccccc2)CC[C@H]1C ZINC000602784135 521531426 /nfs/dbraw/zinc/53/14/26/521531426.db2.gz QCBMQMHUSBAUSY-MRXNPFEDSA-N 0 3 357.458 2.696 20 5 FFBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCCN(c2ccncc2)CC1 ZINC000602844314 521566234 /nfs/dbraw/zinc/56/62/34/521566234.db2.gz AECPETVFUXHDHK-OAHLLOKOSA-N 0 3 369.425 2.529 20 5 FFBDHN CCO[C@H]1C[C@H](NCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000597190317 521566664 /nfs/dbraw/zinc/56/66/64/521566664.db2.gz CJYIIFPZHPCPFQ-HAQNSBGRSA-N 0 3 360.357 2.904 20 5 FFBDHN O=C1CC[C@H]2CN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC[C@@H]2N1 ZINC000597207819 521575134 /nfs/dbraw/zinc/57/51/34/521575134.db2.gz VTRRKYDXDPBJHP-YOEHRIQHSA-N 0 3 355.394 2.955 20 5 FFBDHN CCOC(=O)[C@]1(C)CCC[C@@H]1NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000597236198 521590364 /nfs/dbraw/zinc/59/03/64/521590364.db2.gz PBVUKDUFVIIZCY-FUHWJXTLSA-N 0 3 364.398 2.578 20 5 FFBDHN CC[C@@H]1CN(C)CCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000619566921 521773196 /nfs/dbraw/zinc/77/31/96/521773196.db2.gz AFNYMYGTIBNPIP-QGZVFWFLSA-N 0 3 374.485 2.754 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(c2ccncc2)CC1 ZINC000619638837 521805439 /nfs/dbraw/zinc/80/54/39/521805439.db2.gz CZPQJMONIXQSMU-UHFFFAOYSA-N 0 3 371.397 2.743 20 5 FFBDHN CN1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000619872315 521913400 /nfs/dbraw/zinc/91/34/00/521913400.db2.gz RZINVKNZJKNZKG-AWEZNQCLSA-N 0 3 367.446 2.521 20 5 FFBDHN C[C@@H]1CCCN1CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000744345423 735350918 /nfs/dbraw/zinc/35/09/18/735350918.db2.gz OIKCLZVCMDAGBE-GFCCVEGCSA-N 0 3 360.439 2.932 20 5 FFBDHN COc1cc(CN[C@@H](C)C[C@H](O)c2ccco2)c([N+](=O)[O-])cc1OC ZINC000130551651 728719424 /nfs/dbraw/zinc/71/94/24/728719424.db2.gz VRMMITFOOFJLAL-FZMZJTMJSA-N 0 3 350.371 2.807 20 5 FFBDHN CC[C@@](C)(CC(=O)OC)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000134111146 728728722 /nfs/dbraw/zinc/72/87/22/728728722.db2.gz DVRIVTOZHBLURV-HNNXBMFYSA-N 0 3 357.794 2.508 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[C@@H]1N(C)C ZINC000860447559 730512683 /nfs/dbraw/zinc/51/26/83/730512683.db2.gz QRVCDPQNTSUOBG-DLBZAZTESA-N 0 3 359.451 2.866 20 5 FFBDHN CS[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@H]1N1CCCC1 ZINC000860788839 730547539 /nfs/dbraw/zinc/54/75/39/730547539.db2.gz VJZPPTBYDXMMHN-KGLIPLIRSA-N 0 3 369.874 2.900 20 5 FFBDHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NCc1ccc(S(C)(=O)=O)s1 ZINC000866345637 731050882 /nfs/dbraw/zinc/05/08/82/731050882.db2.gz ALIAFWHNXRSSMC-SNVBAGLBSA-N 0 3 372.443 2.920 20 5 FFBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000874825157 732104144 /nfs/dbraw/zinc/10/41/44/732104144.db2.gz WZQRPJNHULKEAN-VXGBXAGGSA-N 0 3 368.231 2.666 20 5 FFBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000874834509 732105609 /nfs/dbraw/zinc/10/56/09/732105609.db2.gz SFXIXUGLQUEWHR-UONOGXRCSA-N 0 3 357.332 2.922 20 5 FFBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000874838223 732106332 /nfs/dbraw/zinc/10/63/32/732106332.db2.gz OJLIFQPRFAEFHP-KBPBESRZSA-N 0 3 368.231 2.666 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC(CO)(CO)CC3)s2)cc1 ZINC000877798149 732434617 /nfs/dbraw/zinc/43/46/17/732434617.db2.gz ZCEUDHJNXBFCDQ-UHFFFAOYSA-N 0 3 362.451 2.890 20 5 FFBDHN CO[C@H]1COCC[C@H]1N(C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000880437536 732908221 /nfs/dbraw/zinc/90/82/21/732908221.db2.gz MMQLHCIJCCPMNS-OCCSQVGLSA-N 0 3 359.220 2.593 20 5 FFBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H](CO)Cc2ccoc2)c1 ZINC000883269788 733357353 /nfs/dbraw/zinc/35/73/53/733357353.db2.gz WVWMIMVOVMDWFN-LBPRGKRZSA-N 0 3 356.325 2.730 20 5 FFBDHN COC[C@@H](NCc1cc([N+](=O)[O-])ccc1OC(C)C)[C@H]1CCCOC1 ZINC000886907525 733855928 /nfs/dbraw/zinc/85/59/28/733855928.db2.gz DRZNXKYUGAELMF-WMLDXEAASA-N 0 3 352.431 2.913 20 5 FFBDHN NC(=O)[C@@]1(c2ccccc2)CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000894999359 734950114 /nfs/dbraw/zinc/95/01/14/734950114.db2.gz BOTZPBLYVLGAHA-SFHVURJKSA-N 0 3 359.813 2.877 20 5 FFBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@H]2[C@H]1CCCN2CCO ZINC000897220407 735208003 /nfs/dbraw/zinc/20/80/03/735208003.db2.gz ASLDRYCVEADEEZ-QWHCGFSZSA-N 0 3 359.348 2.649 20 5 FFBDHN CC(C)[C@@H](N)c1cn(Cc2cc([N+](=O)[O-])ccc2Br)nn1 ZINC000900595289 735665701 /nfs/dbraw/zinc/66/57/01/735665701.db2.gz DPSPMPQVCCMUBR-CYBMUJFWSA-N 0 3 354.208 2.653 20 5 FFBDHN O=C(CN[C@@H]1Cc2cccc(O)c2C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000759723110 736588633 /nfs/dbraw/zinc/58/86/33/736588633.db2.gz WEWWBUJBDMPWEI-GFCCVEGCSA-N 0 3 361.785 2.649 20 5 FFBDHN COc1cnccc1N1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000793371723 739775308 /nfs/dbraw/zinc/77/53/08/739775308.db2.gz WRCPXDOIEMAVTJ-UHFFFAOYSA-N 0 3 362.817 2.974 20 5 FFBDHN CCCC[N@H+](C)C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000808353828 741218620 /nfs/dbraw/zinc/21/86/20/741218620.db2.gz GBHKAEWJUGJLQF-NSHDSACASA-N 0 3 363.867 2.647 20 5 FFBDHN CCCC[N@@H+](C)C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000808353828 741218621 /nfs/dbraw/zinc/21/86/21/741218621.db2.gz GBHKAEWJUGJLQF-NSHDSACASA-N 0 3 363.867 2.647 20 5 FFBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809916866 741360551 /nfs/dbraw/zinc/36/05/51/741360551.db2.gz WHQLSCLREGAYKI-GFCCVEGCSA-N 0 3 370.837 2.823 20 5 FFBDHN C[C@@H](CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])CN1CCOCC1 ZINC000811481432 741527889 /nfs/dbraw/zinc/52/78/89/741527889.db2.gz BBAFIILPFHCCCV-NSHDSACASA-N 0 3 362.257 2.960 20 5 FFBDHN Cc1ncsc1-c1nc2ccccc2n1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813102959 741676851 /nfs/dbraw/zinc/67/68/51/741676851.db2.gz WUHBFGMWPOZWGX-SNVBAGLBSA-N 0 3 360.395 2.677 20 5 FFBDHN O=[N+]([O-])c1cc(CNC[C@@H](O)c2ccc(F)cn2)cc(C(F)(F)F)c1 ZINC000819269242 742365553 /nfs/dbraw/zinc/36/55/53/742365553.db2.gz FXAQMRMYUQWCQV-CQSZACIVSA-N 0 3 359.279 2.971 20 5 FFBDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822840623 742791212 /nfs/dbraw/zinc/79/12/12/742791212.db2.gz LUHQLQQYMGFFPT-UHFFFAOYSA-N 0 3 357.401 2.691 20 5 FFBDHN O=[N+]([O-])c1ccc(CN(CCN2CCOCC2)CC2CC2)cc1Cl ZINC000827518687 743593048 /nfs/dbraw/zinc/59/30/48/743593048.db2.gz CAIYUQWRKGHVAR-UHFFFAOYSA-N 0 3 353.850 2.792 20 5 FFBDHN CSc1ccc([C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])N(C)C)cc1 ZINC000832932932 745766636 /nfs/dbraw/zinc/76/66/36/745766636.db2.gz DWXMYYVTFAIDHW-OAHLLOKOSA-N 0 3 353.488 2.963 20 5 FFBDHN Cc1[nH]cnc1CC(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000840528132 747116314 /nfs/dbraw/zinc/11/63/14/747116314.db2.gz WVVIHXDFGSSFCD-CYBMUJFWSA-N 0 3 360.267 2.728 20 5 FFBDHN CN(C)CCN(C)C(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000841760114 747451642 /nfs/dbraw/zinc/45/16/42/747451642.db2.gz RANFIAIMJACFLB-GFCCVEGCSA-N 0 3 366.315 2.540 20 5 FFBDHN CC(COC(=O)[C@H](C)CC(=O)c1cccc(Br)c1)[N+](=O)[O-] ZINC000842801967 747692647 /nfs/dbraw/zinc/69/26/47/747692647.db2.gz ODTYBHAICGZBOZ-NXEZZACHSA-N 0 3 358.188 2.866 20 5 FFBDHN CC(C)CCC(=O)NCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845874036 748341196 /nfs/dbraw/zinc/34/11/96/748341196.db2.gz HBBBIAUGMABCPZ-PXAZEXFGSA-N 0 3 354.378 2.628 20 5 FFBDHN COC(=O)[C@@H]1CC[C@H](C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])C1 ZINC000845875359 748341482 /nfs/dbraw/zinc/34/14/82/748341482.db2.gz BLVLAVCWEOLUBP-OXIQGZBJSA-N 0 3 353.346 2.665 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)c1F ZINC000854427599 750306204 /nfs/dbraw/zinc/30/62/04/750306204.db2.gz ROBHRBXRJVFIBA-NWDGAFQWSA-N 0 3 353.369 2.880 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)c1F ZINC000855054891 750419043 /nfs/dbraw/zinc/41/90/43/750419043.db2.gz AOYPOZQOFDDIPU-VXGBXAGGSA-N 0 3 353.369 2.928 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000134940094 960559670 /nfs/dbraw/zinc/55/96/70/960559670.db2.gz FTDYDGGAQKIUSB-MAUKXSAKSA-N 0 3 353.422 2.917 20 5 FFBDHN CC(C)OC(=O)C1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001176264171 1013672918 /nfs/dbraw/zinc/67/29/18/1013672918.db2.gz UWHRNNFXSHKJLI-UHFFFAOYSA-N 0 3 363.414 2.587 20 5 FFBDHN CN(C)Cc1ccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1C(F)(F)F ZINC000894985608 967146037 /nfs/dbraw/zinc/14/60/37/967146037.db2.gz KZBGHGVGGNFQBG-UHFFFAOYSA-N 0 3 371.319 2.661 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CN1C1CC1 ZINC000177132628 969061086 /nfs/dbraw/zinc/06/10/86/969061086.db2.gz DIXHNCBAMZVSOI-CABCVRRESA-N 0 3 372.469 2.940 20 5 FFBDHN Cc1cc(F)cc(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000151753652 986843958 /nfs/dbraw/zinc/84/39/58/986843958.db2.gz QQENBAVBCRWJEO-OKILXGFUSA-N 0 3 367.421 2.662 20 5 FFBDHN Nc1ccc(OC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000809994747 994660686 /nfs/dbraw/zinc/66/06/86/994660686.db2.gz FVWRZHVFOKOFKG-KRWDZBQOSA-N 0 3 357.410 2.847 20 5 FFBDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001170679766 995469267 /nfs/dbraw/zinc/46/92/67/995469267.db2.gz VULKBFCJXQJDTI-JTQLQIEISA-N 0 3 359.773 2.754 20 5 FFBDHN CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813101534 995615053 /nfs/dbraw/zinc/61/50/53/995615053.db2.gz CZAARDBXEASCCE-IFXJQAMLSA-N 0 3 372.421 2.732 20 5 FFBDHN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)OCC(C)[N+](=O)[O-])c12 ZINC000813113887 995625692 /nfs/dbraw/zinc/62/56/92/995625692.db2.gz VSHAYHMQASSRDJ-NSHDSACASA-N 0 3 354.366 2.766 20 5 FFBDHN CCCCCCN(C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000731864012 998310384 /nfs/dbraw/zinc/31/03/84/998310384.db2.gz LJDUMDRBASTIAN-UHFFFAOYSA-N 0 3 362.474 2.756 20 5 FFBDHN CC([C@@H](OC(=O)[C@@H]1CCCc2nn(C)cc21)c1ccccc1F)[N+](=O)[O-] ZINC000845880023 998677842 /nfs/dbraw/zinc/67/78/42/998677842.db2.gz JYMGZNRNSKZAPR-PSTGCABASA-N 0 3 361.373 2.929 20 5 FFBDHN CC([C@H](OC(=O)CCc1ccccc1C(N)=O)c1ccccc1F)[N+](=O)[O-] ZINC000845884059 998678724 /nfs/dbraw/zinc/67/87/24/998678724.db2.gz XAHQGUORBLCICX-SGTLLEGYSA-N 0 3 374.368 2.807 20 5 FFBDHN CN(CCN1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000846612695 1000393726 /nfs/dbraw/zinc/39/37/26/1000393726.db2.gz OBVCJLXWVODBAG-UHFFFAOYSA-N 0 3 360.458 2.753 20 5 FFBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1cccc2c1OCCO2 ZINC000772982535 1000913830 /nfs/dbraw/zinc/91/38/30/1000913830.db2.gz JIDYXBADGIYBMV-ZDUSSCGKSA-N 0 3 371.393 2.873 20 5 FFBDHN Cc1cc(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)c(N)c([N+](=O)[O-])c1 ZINC000771598402 1001154521 /nfs/dbraw/zinc/15/45/21/1001154521.db2.gz XSDLIICZCRORQV-FZKQIMNGSA-N 0 3 356.426 2.907 20 5 FFBDHN COC(=O)C[C@@H]1CCCN([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170352680 1003120975 /nfs/dbraw/zinc/12/09/75/1003120975.db2.gz QCYBNLMULHDCTR-KGLIPLIRSA-N 0 3 350.415 2.810 20 5 FFBDHN COc1cnccc1N1CCN(c2ccc([N+](=O)[O-])cc2C(C)=O)CC1 ZINC000804682452 1003780671 /nfs/dbraw/zinc/78/06/71/1003780671.db2.gz OGEWHJRSIXSYQC-UHFFFAOYSA-N 0 3 356.382 2.528 20 5 FFBDHN CC[C@H](C)N[C@@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N)c1ccco1 ZINC000807680355 1004661043 /nfs/dbraw/zinc/66/10/43/1004661043.db2.gz PGRDYJGHLZSGFH-JSGCOSHPSA-N 0 3 360.414 2.938 20 5 FFBDHN CCN(CC)C(=O)C1(NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000776593136 1006005950 /nfs/dbraw/zinc/00/59/50/1006005950.db2.gz PKQSCSLNCYNUKS-KRWDZBQOSA-N 0 3 363.458 2.789 20 5 FFBDHN CC(C)[C@H]1CN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CCN1C ZINC001187361076 1006034592 /nfs/dbraw/zinc/03/45/92/1006034592.db2.gz DZXCJGLBZSNNCE-MRXNPFEDSA-N 0 3 359.386 2.828 20 5 FFBDHN COC(=O)[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]2CCCC[C@@H]12 ZINC000852496929 1006055770 /nfs/dbraw/zinc/05/57/70/1006055770.db2.gz SKSKMGHBXRSDAI-MLHJIOFPSA-N 0 3 362.426 2.682 20 5 FFBDHN CC(C)Oc1nc(N2CCN[C@H](c3ccc(O)cc3)C2)ccc1[N+](=O)[O-] ZINC001187496573 1006117365 /nfs/dbraw/zinc/11/73/65/1006117365.db2.gz HQYHYFNALPXQLB-HNNXBMFYSA-N 0 3 358.398 2.634 20 5 FFBDHN Cc1ccc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)c(O[C@@H]2CCOC2)c1 ZINC000819153528 1008045297 /nfs/dbraw/zinc/04/52/97/1008045297.db2.gz HCRUHTNUSTXBAB-RTBURBONSA-N 0 3 372.421 2.894 20 5 FFBDHN CSc1ccc([C@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000819336878 1008101098 /nfs/dbraw/zinc/10/10/98/1008101098.db2.gz XGAGHPJFGXBBKS-KRWDZBQOSA-N 0 3 374.466 2.932 20 5 FFBDHN Cc1nc(C2CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)CC2)[nH]c1C ZINC001178042913 1008857391 /nfs/dbraw/zinc/85/73/91/1008857391.db2.gz NLFUPBVMEFPWAC-UHFFFAOYSA-N 0 3 368.397 2.831 20 5 FFBDHN Nc1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000824008623 1009291461 /nfs/dbraw/zinc/29/14/61/1009291461.db2.gz RVEQCEHWIDXWPG-HNNXBMFYSA-N 0 3 355.398 2.573 20 5 FFBDHN CN(CCN1CC2(C1)CCOCC2)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000866258292 1010963748 /nfs/dbraw/zinc/96/37/48/1010963748.db2.gz QNXWYFDYWVBXRC-UHFFFAOYSA-N 0 3 356.426 2.692 20 5 FFBDHN CCOC(=O)c1c(CN)ncn1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172896909 1012072747 /nfs/dbraw/zinc/07/27/47/1012072747.db2.gz UERFDBOUMYVWBZ-CQSZACIVSA-N 0 3 358.398 2.547 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CCN(C[C@H]3CCCO3)CC1)CC2 ZINC001172912174 1012125711 /nfs/dbraw/zinc/12/57/11/1012125711.db2.gz YMFPRZKCWHJYRH-UYAOXDASSA-N 0 3 359.470 2.639 20 5 FFBDHN CN(Cc1cnn(C)c1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173014073 1012183961 /nfs/dbraw/zinc/18/39/61/1012183961.db2.gz JSCCDBULAGMAOC-UHFFFAOYSA-N 0 3 365.384 2.707 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@H]2Cc3ccccc3NC2=O)c1F ZINC001173180003 1012321717 /nfs/dbraw/zinc/32/17/17/1012321717.db2.gz RYSYMEOIDBASPW-ABAIWWIYSA-N 0 3 373.384 2.827 20 5 FFBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCc1ccnc(OC2CCOCC2)n1 ZINC001173224097 1012358725 /nfs/dbraw/zinc/35/87/25/1012358725.db2.gz LUBFEKTVRPKKMN-AWEZNQCLSA-N 0 3 372.425 2.663 20 5 FFBDHN CC([C@H](OC(=O)c1cncc(N2CCCC2)n1)c1ccccc1F)[N+](=O)[O-] ZINC000870454507 1012389910 /nfs/dbraw/zinc/38/99/10/1012389910.db2.gz LXWNBZGZARNDRV-SJCJKPOMSA-N 0 3 374.372 2.779 20 5 FFBDHN CCO[C@@H]1COCC[C@@H]1CC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000870454400 1012390676 /nfs/dbraw/zinc/39/06/76/1012390676.db2.gz KLCINIBURYOPHZ-XGIHMFCUSA-N 0 3 369.389 2.907 20 5 FFBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000681992615 1018662324 /nfs/dbraw/zinc/66/23/24/1018662324.db2.gz OUCFQFNHDBBBPI-INIZCTEOSA-N 0 3 361.445 2.895 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@@](CO)(c3ccccc3)C2)cc1 ZINC000801581071 1019140206 /nfs/dbraw/zinc/14/02/06/1019140206.db2.gz ZKDRURBHKUPHMW-HXUWFJFHSA-N 0 3 356.422 3.000 20 5 FFBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000801903453 1019499607 /nfs/dbraw/zinc/49/96/07/1019499607.db2.gz DMPUIJSMTNWVKM-CQSZACIVSA-N 0 3 372.400 2.711 20 5 FFBDHN C[C@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@H](c1ccccc1)N(C)C ZINC000801952413 1019536287 /nfs/dbraw/zinc/53/62/87/1019536287.db2.gz WEXVLBVKNZBLQF-APPDUMDISA-N 0 3 360.389 2.737 20 5 FFBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@H](CO)c2ccccc2C(F)(F)F)c1 ZINC000933241518 1020983348 /nfs/dbraw/zinc/98/33/48/1020983348.db2.gz MRRFPAYRPKGRQV-CVEARBPZSA-N 0 3 370.327 2.970 20 5 FFBDHN C[C@](O)(CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1 ZINC000778213093 1021130481 /nfs/dbraw/zinc/13/04/81/1021130481.db2.gz BRTWTJLZRQOCCJ-IBGZPJMESA-N 0 3 358.394 2.753 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934836652 1021421365 /nfs/dbraw/zinc/42/13/65/1021421365.db2.gz DVHAJHVNDJPWSD-HZPDHXFCSA-N 0 3 361.442 2.980 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H](CO)CC1CCOCC1 ZINC001118488877 1022260043 /nfs/dbraw/zinc/26/00/43/1022260043.db2.gz APKJZDNVGURFMH-UKRRQHHQSA-N 0 3 352.431 2.679 20 5 FFBDHN C/C(=C/C(=O)N1CCCN(C[C@@H]2CCCO2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000751690051 1022911626 /nfs/dbraw/zinc/91/16/26/1022911626.db2.gz YEDWAWLCUWRYNG-VDUFWMCCSA-N 0 3 373.453 2.711 20 5 FFBDHN CN(CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000075005596 1022988327 /nfs/dbraw/zinc/98/83/27/1022988327.db2.gz UCVSVSLHMPNIGH-CQSZACIVSA-N 0 3 365.430 2.915 20 5 FFBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N(C)[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001156342150 1029157616 /nfs/dbraw/zinc/15/76/16/1029157616.db2.gz YXBPZAUIUWRLPA-KXBFYZLASA-N 0 3 370.453 2.883 20 5 FFBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N(C)[C@@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC001165184846 1029439799 /nfs/dbraw/zinc/43/97/99/1029439799.db2.gz YXBPZAUIUWRLPA-DNVCBOLYSA-N 0 3 370.453 2.883 20 5 FFBDHN O=[N+]([O-])c1ccc(CO[C@H]2CC[C@@H](N3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC001224102547 1033716889 /nfs/dbraw/zinc/71/68/89/1033716889.db2.gz ZIYWJWCAGMQBAO-FZNQNYSPSA-N 0 3 365.386 2.663 20 5 FFBDHN NC(=O)c1cc([N+](=O)[O-])ccc1OC1CCN(Cc2ccccc2)CC1 ZINC001226163184 1034554051 /nfs/dbraw/zinc/55/40/51/1034554051.db2.gz AQOLXZJPBGPMMG-UHFFFAOYSA-N 0 3 355.394 2.737 20 5 FFBDHN CCOc1cccc(CN(CCO)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000832659928 1034898722 /nfs/dbraw/zinc/89/87/22/1034898722.db2.gz NHLJGKJMYYVUJI-LJQANCHMSA-N 0 3 360.410 2.521 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1ccc(C(=O)CCN(C)C)cc1 ZINC001229302656 1036602140 /nfs/dbraw/zinc/60/21/40/1036602140.db2.gz LXVBTAQFIOPLBR-CYBMUJFWSA-N 0 3 360.414 2.702 20 5 FFBDHN COc1c(O)cc(O[C@H](C)CN(C)C)c2c(=O)c3ccccc3n(C)c12 ZINC001234170438 1036954451 /nfs/dbraw/zinc/95/44/51/1036954451.db2.gz HYGPPGHCDOMSQS-GFCCVEGCSA-N 0 3 356.422 2.735 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)ccc1Cc1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001249116902 1040586927 /nfs/dbraw/zinc/58/69/27/1040586927.db2.gz PUUCRLCHEPITTK-UHFFFAOYSA-N 0 3 371.784 2.930 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCC(N3CCN(c4cccnc4)CC3)CC2)cc1 ZINC001254473845 1040740653 /nfs/dbraw/zinc/74/06/53/1040740653.db2.gz ILKOJKVMHRVBBI-UHFFFAOYSA-N 0 3 367.453 2.781 20 5 FFBDHN O=C(NC1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1)N1CCCCC1 ZINC001254611287 1040839283 /nfs/dbraw/zinc/83/92/83/1040839283.db2.gz PBRVPNZIVHOELZ-LJQANCHMSA-N 0 3 372.469 2.722 20 5 FFBDHN O=C(Nc1ccc([C@@H]2CNCCO2)cc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001261630305 1041340586 /nfs/dbraw/zinc/34/05/86/1041340586.db2.gz IUEICYPLIJTIOL-SFHVURJKSA-N 0 3 368.393 2.803 20 5 FFBDHN CCOc1cc(NC(=O)N[C@@H]2CCN(C)[C@H]2C)c([N+](=O)[O-])cc1OCC ZINC001309999360 1043621729 /nfs/dbraw/zinc/62/17/29/1043621729.db2.gz BIEXEXYXHKCTRY-NWDGAFQWSA-N 0 3 366.418 2.606 20 5 FFBDHN COCCN1CCC[C@H](Nc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1 ZINC001328689378 1048421139 /nfs/dbraw/zinc/42/11/39/1048421139.db2.gz PYIDAZVQZKSJFK-NSHDSACASA-N 0 3 365.821 2.714 20 5 FFBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCN(c2cnn(C)c2)C1 ZINC001329642209 1048826882 /nfs/dbraw/zinc/82/68/82/1048826882.db2.gz GEEGCALOIMFIKS-QWHCGFSZSA-N 0 3 361.471 2.980 20 5 FFBDHN C[NH+](C)Cc1ccc(NC(=O)c2[n-]nc([N+](=O)[O-])c2Cl)cc1Cl ZINC001297271771 1050136721 /nfs/dbraw/zinc/13/67/21/1050136721.db2.gz KVSGVPYQCDVQMS-UHFFFAOYSA-N 0 3 358.185 2.939 20 5 FFBDHN C[C@@H](c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ccccc1)[N+](=O)[O-] ZINC001342144429 1050737663 /nfs/dbraw/zinc/73/76/63/1050737663.db2.gz HTXJUICYORCOKZ-HNNXBMFYSA-N 0 3 372.473 2.585 20 5 FFBDHN C[C@H](c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ccccc1)[N+](=O)[O-] ZINC001342144431 1050738427 /nfs/dbraw/zinc/73/84/27/1050738427.db2.gz HTXJUICYORCOKZ-OAHLLOKOSA-N 0 3 372.473 2.585 20 5 FFBDHN Cc1cc(NC(=O)NC2CCN(CCOC(C)C)CC2)cc([N+](=O)[O-])c1 ZINC001344874220 1052089997 /nfs/dbraw/zinc/08/99/97/1052089997.db2.gz BWBKUMOZOVCXEO-UHFFFAOYSA-N 0 3 364.446 2.914 20 5 FFBDHN Cc1ccc(OC(=O)C2CCN(Cc3ccccc3)C2=O)c([N+](=O)[O-])c1 ZINC001343550487 1052299962 /nfs/dbraw/zinc/29/99/62/1052299962.db2.gz OYQKTIIJPAPYLN-OAHLLOKOSA-N 0 3 354.362 2.857 20 5 FFBDHN O=[N+]([O-])c1ccc([C@H](O)CNCc2cccnc2N2CCCCC2)cc1 ZINC001346123935 1052758926 /nfs/dbraw/zinc/75/89/26/1052758926.db2.gz XNRVXCXOXAZQHB-GOSISDBHSA-N 0 3 356.426 2.803 20 5 FFBDHN COc1ccc(OC)c([C@@H](O)CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000848522838 1060213765 /nfs/dbraw/zinc/21/37/65/1060213765.db2.gz YJAALBOFZSDHOU-AEFFLSMTSA-N 0 3 358.394 2.923 20 5 FFBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCCOC2CCOCC2)c1 ZINC001461235254 1061262391 /nfs/dbraw/zinc/26/23/91/1061262391.db2.gz WGCIPLABHQNKIM-UHFFFAOYSA-N 0 3 360.357 2.872 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 ZINC001463269459 1062024374 /nfs/dbraw/zinc/02/43/74/1062024374.db2.gz DZZCVMSASMLNFP-KCQAQPDRSA-N 0 3 369.487 2.548 20 5 FFBDHN C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001470781683 1064448353 /nfs/dbraw/zinc/44/83/53/1064448353.db2.gz XYPKRKSYSRHBEO-IFXJQAMLSA-N 0 3 368.437 2.817 20 5 FFBDHN CCc1noc([C@H]2CC[C@@H]([NH2+]Cc3cc(OC)c([O-])cc3[N+](=O)[O-])C2)n1 ZINC001560608767 1076283402 /nfs/dbraw/zinc/28/34/02/1076283402.db2.gz DNQXMPIUTZNVIM-CMPLNLGQSA-N 0 3 362.386 2.680 20 5 FFBDHN COc1cc(CC[NH2+]Cc2ccc([O-])c(OC)c2[N+](=O)[O-])cc(OC)c1 ZINC001561052958 1076325253 /nfs/dbraw/zinc/32/52/53/1076325253.db2.gz PXDPRYPYVWADKJ-UHFFFAOYSA-N 0 3 362.382 2.659 20 5 FFBDHN C[C@@H](Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001589978296 1080917759 /nfs/dbraw/zinc/91/77/59/1080917759.db2.gz MCVLCTFSSBJPEB-TZMCWYRMSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@@H](Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001589978296 1080917766 /nfs/dbraw/zinc/91/77/66/1080917766.db2.gz MCVLCTFSSBJPEB-TZMCWYRMSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@@H](Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001589978296 1080917770 /nfs/dbraw/zinc/91/77/70/1080917770.db2.gz MCVLCTFSSBJPEB-TZMCWYRMSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@@H](Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001589978296 1080917776 /nfs/dbraw/zinc/91/77/76/1080917776.db2.gz MCVLCTFSSBJPEB-TZMCWYRMSA-N 0 3 371.445 2.840 20 5 FFBDHN Cc1c(NC(=O)CCN(CCO)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000103140590 250136319 /nfs/dbraw/zinc/13/63/19/250136319.db2.gz KVERNGQLGSVZED-UHFFFAOYSA-N 0 3 357.410 2.726 20 5 FFBDHN Cn1cc(CNCC[S@@](=O)C(C)(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000116921665 250324070 /nfs/dbraw/zinc/32/40/70/250324070.db2.gz KNFTWGZQXQAIOG-VWLOTQADSA-N 0 3 364.471 2.632 20 5 FFBDHN CS[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1N(C)C ZINC000271985073 251925951 /nfs/dbraw/zinc/92/59/51/251925951.db2.gz FEPBSBRPNVPUPV-JKSUJKDBSA-N 0 3 362.455 2.727 20 5 FFBDHN CCN1CCCC[C@@H]1CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272584331 252074565 /nfs/dbraw/zinc/07/45/65/252074565.db2.gz YRAWSUXZBQFIFI-MSOLQXFVSA-N 0 3 357.458 2.882 20 5 FFBDHN COc1ccc(OCCN2CCC(c3cc(C)[nH]n3)CC2)c([N+](=O)[O-])c1 ZINC000272935276 252169240 /nfs/dbraw/zinc/16/92/40/252169240.db2.gz KNAQHXVUQADOMT-UHFFFAOYSA-N 0 3 360.414 2.893 20 5 FFBDHN COc1ccc(OCCN2CCC(c3cc(C)n[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000272935276 252169244 /nfs/dbraw/zinc/16/92/44/252169244.db2.gz KNAQHXVUQADOMT-UHFFFAOYSA-N 0 3 360.414 2.893 20 5 FFBDHN C[C@]1(NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCO[C@@H]1C1CC1 ZINC000273090940 252213385 /nfs/dbraw/zinc/21/33/85/252213385.db2.gz SPBSTJDUYVGYTK-CVEARBPZSA-N 0 3 353.806 2.734 20 5 FFBDHN C[C@@H]1CN(CCCCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000273340152 252285008 /nfs/dbraw/zinc/28/50/08/252285008.db2.gz ACJSFMDWHQVELX-CHWSQXEVSA-N 0 3 368.409 2.745 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H](C)C2CCN(C)CC2)cc1C ZINC000273520803 252323990 /nfs/dbraw/zinc/32/39/90/252323990.db2.gz NZNBNWNSXBDWHF-CQSZACIVSA-N 0 3 369.487 2.562 20 5 FFBDHN COCc1nc2n(n1)C[C@@H](N[C@@H]1CC(C)(C)c3ccc([N+](=O)[O-])cc31)CC2 ZINC000279171543 256389453 /nfs/dbraw/zinc/38/94/53/256389453.db2.gz UUQWUQQZTGTZEZ-BLLLJJGKSA-N 0 3 371.441 2.660 20 5 FFBDHN C[C@@H]1CN(C2CCOCC2)CCN1c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000278806724 256350399 /nfs/dbraw/zinc/35/03/99/256350399.db2.gz RRQBOCRVFLZJJA-CQSZACIVSA-N 0 3 356.426 2.833 20 5 FFBDHN CC(C)OCCN1CCC(Nc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000288556748 257204393 /nfs/dbraw/zinc/20/43/93/257204393.db2.gz VYJLPWLPZVTWSM-UHFFFAOYSA-N 0 3 365.459 2.901 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000290485509 257334937 /nfs/dbraw/zinc/33/49/37/257334937.db2.gz VQLDGZPIPOMGTA-WBVHZDCISA-N 0 3 370.361 2.524 20 5 FFBDHN COC(=O)C1CCN(CCCNc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000298746548 257937558 /nfs/dbraw/zinc/93/75/58/257937558.db2.gz ZEUAJLWUWXUBKH-UHFFFAOYSA-N 0 3 372.425 2.830 20 5 FFBDHN CC1CCN([C@H](CNc2ncc([N+](=O)[O-])c(N)n2)c2ccccc2)CC1 ZINC000301088568 258023761 /nfs/dbraw/zinc/02/37/61/258023761.db2.gz MRCZZSNFNGPLGG-OAHLLOKOSA-N 0 3 356.430 2.852 20 5 FFBDHN COc1cccc([C@H](CNc2c([N+](=O)[O-])c(C)nn2C)N2CCCC2)c1 ZINC000301243684 258036084 /nfs/dbraw/zinc/03/60/84/258036084.db2.gz AMWIPTNFSFVPAF-INIZCTEOSA-N 0 3 359.430 2.894 20 5 FFBDHN CC[C@H]1CN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CCN1C[C@@H](C)O ZINC000302022636 258082747 /nfs/dbraw/zinc/08/27/47/258082747.db2.gz ORBSVYMQNHZYLG-CABCVRRESA-N 0 3 358.442 2.733 20 5 FFBDHN CN(C)[C@@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000065511140 506312943 /nfs/dbraw/zinc/31/29/43/506312943.db2.gz VDMDGWRFSVWATR-SFHVURJKSA-N 0 3 356.426 2.739 20 5 FFBDHN C[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCCC[C@@H]1C ZINC000065733064 506353510 /nfs/dbraw/zinc/35/35/10/506353510.db2.gz LCVDQMPWFRYJEE-LSDHHAIUSA-N 0 3 358.442 2.929 20 5 FFBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000055407754 506745140 /nfs/dbraw/zinc/74/51/40/506745140.db2.gz QWLLNOZHKWMIGO-LSDHHAIUSA-N 0 3 371.441 2.631 20 5 FFBDHN CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000367019999 512300064 /nfs/dbraw/zinc/30/00/64/512300064.db2.gz KURRFUNJGPHZHA-HIFRSBDPSA-N 0 3 357.414 2.616 20 5 FFBDHN Cc1ccc([C@@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])N(C)C)cc1 ZINC000067383185 506854897 /nfs/dbraw/zinc/85/48/97/506854897.db2.gz PQXGCMDSEZMQHR-GOSISDBHSA-N 0 3 367.409 2.855 20 5 FFBDHN CCc1ccc([C@@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000015129048 507022023 /nfs/dbraw/zinc/02/20/23/507022023.db2.gz OUPHSDDEKKDLNG-GOSISDBHSA-N 0 3 356.426 2.971 20 5 FFBDHN C[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC(C)CC1 ZINC000068256503 507163446 /nfs/dbraw/zinc/16/34/46/507163446.db2.gz VYJNQWUUSZZWPB-OAHLLOKOSA-N 0 3 358.442 2.786 20 5 FFBDHN Cn1cnc([N+](=O)[O-])c1Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000057150892 507186625 /nfs/dbraw/zinc/18/66/25/507186625.db2.gz BCLASLVPFAGHPV-UHFFFAOYSA-N 0 3 356.430 2.604 20 5 FFBDHN COc1ccc(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000027583114 507669140 /nfs/dbraw/zinc/66/91/40/507669140.db2.gz WYPRNKCGNJBVFJ-MRXNPFEDSA-N 0 3 357.410 2.506 20 5 FFBDHN CCC[C@@H](C)NC(=O)[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000051051071 507728380 /nfs/dbraw/zinc/72/83/80/507728380.db2.gz YRLXKXFDNLTPGN-CVEARBPZSA-N 0 3 363.458 2.990 20 5 FFBDHN Cc1cccc(N2CCN(CCCCNc3c([N+](=O)[O-])ncn3C)CC2)c1 ZINC000029587470 507782943 /nfs/dbraw/zinc/78/29/43/507782943.db2.gz UKPDHZQNFBCSET-UHFFFAOYSA-N 0 3 372.473 2.651 20 5 FFBDHN Cc1c(NC(=O)N(CCN(C)C)Cc2ccccn2)cccc1[N+](=O)[O-] ZINC000107373539 507847538 /nfs/dbraw/zinc/84/75/38/507847538.db2.gz QVKYMWWVRPFNDR-UHFFFAOYSA-N 0 3 357.414 2.894 20 5 FFBDHN C[C@@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])CN1CCCCC1 ZINC000089619850 507851135 /nfs/dbraw/zinc/85/11/35/507851135.db2.gz VURWYEBTLSNWEX-ZDUSSCGKSA-N 0 3 355.460 2.532 20 5 FFBDHN CC(C)=CCC[C@@H](C)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015412 507902318 /nfs/dbraw/zinc/90/23/18/507902318.db2.gz ZEBLLNKVDQIKGA-CQSZACIVSA-N 0 3 355.460 2.598 20 5 FFBDHN Cc1c([C@@H](C)NCCn2cc([N+](=O)[O-])cn2)cnn1-c1ccc(F)cc1 ZINC000090538397 507925834 /nfs/dbraw/zinc/92/58/34/507925834.db2.gz YTWSGJGZXVMXMZ-GFCCVEGCSA-N 0 3 358.377 2.775 20 5 FFBDHN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@@H](N2CCCC2)C1 ZINC000079942596 508017459 /nfs/dbraw/zinc/01/74/59/508017459.db2.gz PJLKQGHNIGKECC-GFCCVEGCSA-N 0 3 357.332 2.924 20 5 FFBDHN CCN1CCN(C[C@H](C)CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000092612725 508086709 /nfs/dbraw/zinc/08/67/09/508086709.db2.gz HUPKSBOMOGDOMQ-CYBMUJFWSA-N 0 3 372.416 2.882 20 5 FFBDHN CCCCN(Cc1ccccc1F)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075674752 508126843 /nfs/dbraw/zinc/12/68/43/508126843.db2.gz XJVXNWDWHVTEAQ-MRXNPFEDSA-N 0 3 350.394 2.594 20 5 FFBDHN CNC(=O)[C@@H]1CCCN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000093360914 508142361 /nfs/dbraw/zinc/14/23/61/508142361.db2.gz KIVSVJYDWSRQQQ-CYBMUJFWSA-N 0 3 373.409 2.821 20 5 FFBDHN CC[C@@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000112536977 508193689 /nfs/dbraw/zinc/19/36/89/508193689.db2.gz HSNVPEJWSFPTGS-QGZVFWFLSA-N 0 3 363.439 2.614 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN(C)CC12CCCCC2 ZINC000081598577 508194991 /nfs/dbraw/zinc/19/49/91/508194991.db2.gz FAYCPMRPPDCTFY-UHFFFAOYSA-N 0 3 360.458 2.792 20 5 FFBDHN O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000114645148 508333459 /nfs/dbraw/zinc/33/34/59/508333459.db2.gz IRVUOZIOKBUIOW-SFHVURJKSA-N 0 3 369.421 2.754 20 5 FFBDHN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCN1Cc1ccccc1 ZINC000114643276 508333535 /nfs/dbraw/zinc/33/35/35/508333535.db2.gz BHPXKJJIEZMVNR-SFHVURJKSA-N 0 3 353.422 2.918 20 5 FFBDHN COc1ccc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000114645317 508333734 /nfs/dbraw/zinc/33/37/34/508333734.db2.gz VHZUZFXXGXXVBO-KRWDZBQOSA-N 0 3 369.421 2.998 20 5 FFBDHN CC(C)CN(CCN(C)C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000104528540 508337393 /nfs/dbraw/zinc/33/73/93/508337393.db2.gz CZMSFMYEPLYJQO-UHFFFAOYSA-N 0 3 362.474 2.855 20 5 FFBDHN CCC(=O)N[C@@H]1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000104680561 508340974 /nfs/dbraw/zinc/34/09/74/508340974.db2.gz SPSVRTGYOYKSLR-OAHLLOKOSA-N 0 3 372.425 2.783 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000153410718 508580736 /nfs/dbraw/zinc/58/07/36/508580736.db2.gz PGAASCZHSOQAEH-AAEUAGOBSA-N 0 3 355.822 2.568 20 5 FFBDHN Cc1ccc(C(=O)NCc2ccccc2OCCN(C)C)cc1[N+](=O)[O-] ZINC000122867361 508598488 /nfs/dbraw/zinc/59/84/88/508598488.db2.gz QCVXUDPLJMWZMQ-UHFFFAOYSA-N 0 3 357.410 2.774 20 5 FFBDHN Cc1cc(C(=O)NCc2ccccc2OCCN(C)C)cc([N+](=O)[O-])c1 ZINC000122964676 508615142 /nfs/dbraw/zinc/61/51/42/508615142.db2.gz CUDCRHJVZDRFBM-UHFFFAOYSA-N 0 3 357.410 2.774 20 5 FFBDHN CN(C)[C@H]1Cc2ccccc2N(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000153712912 508632830 /nfs/dbraw/zinc/63/28/30/508632830.db2.gz BOUOMQQWGWHEKM-INIZCTEOSA-N 0 3 357.385 2.796 20 5 FFBDHN COc1cc(CN[C@@H](C)[C@H](C)CO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000123217096 508653613 /nfs/dbraw/zinc/65/36/13/508653613.db2.gz MMDZLICPBRLMTO-ZJUUUORDSA-N 0 3 366.336 2.651 20 5 FFBDHN C[C@H](NCc1cccnc1N1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000158515803 508715907 /nfs/dbraw/zinc/71/59/07/508715907.db2.gz YEPGEUYQRXCUSN-HNNXBMFYSA-N 0 3 355.442 2.592 20 5 FFBDHN C[C@@H]1CN(CCCCNC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000129644282 508749940 /nfs/dbraw/zinc/74/99/40/508749940.db2.gz KFVXFDXRVZACLI-OKILXGFUSA-N 0 3 350.419 2.606 20 5 FFBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000159131990 508796837 /nfs/dbraw/zinc/79/68/37/508796837.db2.gz SEENJAHVIIGCKP-UONOGXRCSA-N 0 3 358.442 2.855 20 5 FFBDHN CCOC(=O)CC1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000130386729 508816224 /nfs/dbraw/zinc/81/62/24/508816224.db2.gz CNEUWTQFRMHTMN-UHFFFAOYSA-N 0 3 363.414 2.589 20 5 FFBDHN C[C@@H](CN1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000159753075 508884831 /nfs/dbraw/zinc/88/48/31/508884831.db2.gz BHBMEAKMHQNWBE-NSHDSACASA-N 0 3 370.247 2.962 20 5 FFBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@](C)(O)c1ccsc1 ZINC000159974143 508919250 /nfs/dbraw/zinc/91/92/50/508919250.db2.gz NLVJFBAYZYXBDS-SJKOYZFVSA-N 0 3 363.439 2.871 20 5 FFBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CC1CCOCC1 ZINC000155729854 509060029 /nfs/dbraw/zinc/06/00/29/509060029.db2.gz OQVWQTWUOAVYNA-LLVKDONJSA-N 0 3 355.822 2.934 20 5 FFBDHN Cc1nc(C(C)C)sc1[C@H](C)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000120992323 509104921 /nfs/dbraw/zinc/10/49/21/509104921.db2.gz ZWGOUKXEPLBBLX-JSGCOSHPSA-N 0 3 367.475 2.734 20 5 FFBDHN C[C@@H]1CN(CC2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C[C@@H](C)O1 ZINC000263846288 509183898 /nfs/dbraw/zinc/18/38/98/509183898.db2.gz XGBCLXDOXJSWSZ-CHWSQXEVSA-N 0 3 367.471 2.618 20 5 FFBDHN C[C@@H]1CN(CC2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000263848893 509184712 /nfs/dbraw/zinc/18/47/12/509184712.db2.gz YDGCJQRNUDRFET-GASCZTMLSA-N 0 3 361.442 2.556 20 5 FFBDHN CCO[C@@H]1C[C@@H](N(C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000248279767 509267401 /nfs/dbraw/zinc/26/74/01/509267401.db2.gz URQFUOCXNHXYGA-KBAYOESNSA-N 0 3 364.442 2.614 20 5 FFBDHN Cc1cc(S(=O)(=O)NCC(C)(C)N2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000217214720 509268865 /nfs/dbraw/zinc/26/88/65/509268865.db2.gz BPKRHJBPGNVKRD-CYBMUJFWSA-N 0 3 369.487 2.692 20 5 FFBDHN COc1cc(CN[C@H](CO)Cc2ccc(C)cc2)c([N+](=O)[O-])cc1OC ZINC000188985121 509354546 /nfs/dbraw/zinc/35/45/46/509354546.db2.gz JOWJXHGEZOQZEX-INIZCTEOSA-N 0 3 360.410 2.614 20 5 FFBDHN CCc1[nH]nc(C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000173208573 509456434 /nfs/dbraw/zinc/45/64/34/509456434.db2.gz OTOWWDXUAJTQMA-CQSZACIVSA-N 0 3 371.441 2.617 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000248880609 509525443 /nfs/dbraw/zinc/52/54/43/509525443.db2.gz RPWNZFGHIWXNIO-KBXCAEBGSA-N 0 3 369.421 2.854 20 5 FFBDHN COC(=O)C[C@H]1CCCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000165697373 509580751 /nfs/dbraw/zinc/58/07/51/509580751.db2.gz BNWQWHDMJDSECA-CQSZACIVSA-N 0 3 363.414 2.649 20 5 FFBDHN CC(C)(C)OC(=O)NC[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000170647279 509696112 /nfs/dbraw/zinc/69/61/12/509696112.db2.gz YEKQDMSPDQAGDY-AWEZNQCLSA-N 0 3 365.430 2.820 20 5 FFBDHN O=[N+]([O-])c1cnc2ccc(NC3CCN(CCc4ccccc4)CC3)nn21 ZINC000180001481 509707126 /nfs/dbraw/zinc/70/71/26/509707126.db2.gz KVRHGIIEKMXJLA-UHFFFAOYSA-N 0 3 366.425 2.757 20 5 FFBDHN CN1CC[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000180147601 509779259 /nfs/dbraw/zinc/77/92/59/509779259.db2.gz DATCJQJKDKYAPW-UZLBHIALSA-N 0 3 369.421 2.925 20 5 FFBDHN CC(C)CCOC1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000193108903 509784183 /nfs/dbraw/zinc/78/41/83/509784183.db2.gz FHQCFJNCFLRGEI-QGZVFWFLSA-N 0 3 366.458 2.862 20 5 FFBDHN CN(C)C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000268194002 509805597 /nfs/dbraw/zinc/80/55/97/509805597.db2.gz SNAALKPWKBDBJE-LLVKDONJSA-N 0 3 356.220 2.524 20 5 FFBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000252735596 509859406 /nfs/dbraw/zinc/85/94/06/509859406.db2.gz NGTIWDHIHAYULL-KBPBESRZSA-N 0 3 356.426 2.993 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CN1C1CC1 ZINC000177154095 509905139 /nfs/dbraw/zinc/90/51/39/509905139.db2.gz OPHPKQDLLZYTGE-GDBMZVCRSA-N 0 3 372.469 2.553 20 5 FFBDHN Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193734601 510042919 /nfs/dbraw/zinc/04/29/19/510042919.db2.gz FKFOYHRFRTWCOB-UHFFFAOYSA-N 0 3 356.382 2.852 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(c2ncc[nH]2)CC1 ZINC000265481394 510079395 /nfs/dbraw/zinc/07/93/95/510079395.db2.gz KXGXLWQTEMOSAR-UHFFFAOYSA-N 0 3 373.413 2.535 20 5 FFBDHN C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)N(C)C ZINC000187223770 510135643 /nfs/dbraw/zinc/13/56/43/510135643.db2.gz RGUGCNBEFRNXMQ-LIRRHRJNSA-N 0 3 357.410 2.781 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000180848489 510142837 /nfs/dbraw/zinc/14/28/37/510142837.db2.gz LSQILKSERRLOMD-ZBFHGGJFSA-N 0 3 368.437 2.960 20 5 FFBDHN COc1ccc(CNCCCN2C(=O)COc3ccccc32)cc1[N+](=O)[O-] ZINC000174520675 510157017 /nfs/dbraw/zinc/15/70/17/510157017.db2.gz DSLHFXHCUDHBBZ-UHFFFAOYSA-N 0 3 371.393 2.509 20 5 FFBDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000171547005 510219870 /nfs/dbraw/zinc/21/98/70/510219870.db2.gz YCAJFFDSJOAFLV-HNNXBMFYSA-N 0 3 371.441 2.824 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)cc1SC ZINC000174665869 510239832 /nfs/dbraw/zinc/23/98/32/510239832.db2.gz DNVWKTLOJCAROT-NWDGAFQWSA-N 0 3 365.455 2.634 20 5 FFBDHN CN(Cc1ccccc1)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)C1CC1 ZINC000187463331 510280322 /nfs/dbraw/zinc/28/03/22/510280322.db2.gz SVBKINLVPCTFNJ-GOSISDBHSA-N 0 3 368.437 2.817 20 5 FFBDHN CN1CC[C@H](CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000194351408 510324122 /nfs/dbraw/zinc/32/41/22/510324122.db2.gz ULYRXURHXAHXKK-MRXNPFEDSA-N 0 3 369.421 2.855 20 5 FFBDHN C[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(N2CCOC2=O)cc1 ZINC000181280608 510335748 /nfs/dbraw/zinc/33/57/48/510335748.db2.gz SDWFVTJGQQDSPW-FZKQIMNGSA-N 0 3 371.393 2.936 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000177960473 510347931 /nfs/dbraw/zinc/34/79/31/510347931.db2.gz DMDUDFRNYORHJY-FCEWJHQRSA-N 0 3 372.469 2.648 20 5 FFBDHN O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[C@@H](N2CCCCC2)C1 ZINC000266311572 510510787 /nfs/dbraw/zinc/51/07/87/510510787.db2.gz DNVNNZCFEQSOGB-OAHLLOKOSA-N 0 3 360.414 2.616 20 5 FFBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246487524 510515874 /nfs/dbraw/zinc/51/58/74/510515874.db2.gz GYGPZIODBMOILR-VCBZYWHSSA-N 0 3 372.469 2.871 20 5 FFBDHN C[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)N(C)C ZINC000269709343 510520636 /nfs/dbraw/zinc/52/06/36/510520636.db2.gz UGIDAXMTQICNIP-SSDOTTSWSA-N 0 3 364.627 2.691 20 5 FFBDHN CC(C)N(CCN(C)C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000269730305 510528133 /nfs/dbraw/zinc/52/81/33/510528133.db2.gz USDJRYKLPLQLCB-UHFFFAOYSA-N 0 3 358.236 2.770 20 5 FFBDHN Cc1ccccc1[C@H](C)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000178338566 510554036 /nfs/dbraw/zinc/55/40/36/510554036.db2.gz FCULOKTVYKZFKA-AWEZNQCLSA-N 0 3 363.439 2.532 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000191359882 510622744 /nfs/dbraw/zinc/62/27/44/510622744.db2.gz FYDUXNAVZOSVGT-OAHLLOKOSA-N 0 3 364.446 2.786 20 5 FFBDHN CN(C)Cc1ccc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000195134685 510683554 /nfs/dbraw/zinc/68/35/54/510683554.db2.gz QNHPNPUBOKHJDA-UHFFFAOYSA-N 0 3 368.437 2.619 20 5 FFBDHN Cc1c(CN(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000188294266 510694520 /nfs/dbraw/zinc/69/45/20/510694520.db2.gz FBRXSKNKJVNYTK-NRFANRHFSA-N 0 3 369.465 2.972 20 5 FFBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(C2CCCC2)CC1 ZINC000172420996 510719468 /nfs/dbraw/zinc/71/94/68/510719468.db2.gz WDRTWDLTAPBNNW-UHFFFAOYSA-N 0 3 360.458 2.751 20 5 FFBDHN COC(=O)[C@@](C)(CNCc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000191577600 510732387 /nfs/dbraw/zinc/73/23/87/510732387.db2.gz UTTPLOHGGJXQBL-IBGZPJMESA-N 0 3 358.394 2.824 20 5 FFBDHN CC(=O)c1ccc(N2CCC(N3CCN(C(C)C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000270517482 510893596 /nfs/dbraw/zinc/89/35/96/510893596.db2.gz ZFQSWFWRTUIBJR-UHFFFAOYSA-N 0 3 374.485 2.792 20 5 FFBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000285659502 510998243 /nfs/dbraw/zinc/99/82/43/510998243.db2.gz FHTWSDWEKNXVEB-PBHICJAKSA-N 0 3 356.426 2.635 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270857517 511006440 /nfs/dbraw/zinc/00/64/40/511006440.db2.gz YVMYPUZVFGGTOT-UGSOOPFHSA-N 0 3 358.442 2.752 20 5 FFBDHN CC(C)N1CCN(C2CCN(Cc3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000270965431 511039866 /nfs/dbraw/zinc/03/98/66/511039866.db2.gz VMMLJEFNFCVYMQ-UHFFFAOYSA-N 0 3 364.465 2.724 20 5 FFBDHN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1N1CCN(C)CC1 ZINC000364725634 511044901 /nfs/dbraw/zinc/04/49/01/511044901.db2.gz ZXXYXNBCELMKJM-RDTXWAMCSA-N 0 3 366.893 2.706 20 5 FFBDHN COc1cc(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000294648390 511131759 /nfs/dbraw/zinc/13/17/59/511131759.db2.gz VLSSCFLMBRFZRJ-NWDGAFQWSA-N 0 3 353.394 2.593 20 5 FFBDHN COc1cc(CN[C@@H](C)CCCCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000295027096 511256518 /nfs/dbraw/zinc/25/65/18/511256518.db2.gz LGGZVKYBMUKIND-NSHDSACASA-N 0 3 362.373 2.888 20 5 FFBDHN COc1cc(CNCC2([C@H](C)CCO)CCC2)c([N+](=O)[O-])cc1OC ZINC000271796851 511327535 /nfs/dbraw/zinc/32/75/35/511327535.db2.gz IALLEZNGOBYVHG-CYBMUJFWSA-N 0 3 352.431 2.890 20 5 FFBDHN COCCCN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C1CCN(C)CC1 ZINC000291946319 511401635 /nfs/dbraw/zinc/40/16/35/511401635.db2.gz ZCYFOWYSOUYUIJ-UHFFFAOYSA-N 0 3 374.441 2.649 20 5 FFBDHN CCOC(=O)[C@@H]1CC[C@H](NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000280646781 511547987 /nfs/dbraw/zinc/54/79/87/511547987.db2.gz JFMSLNDEZFAOOF-ZBFHGGJFSA-N 0 3 372.425 2.817 20 5 FFBDHN CN1CC[C@@]2(CCN(C(=O)c3ccc(Br)c([N+](=O)[O-])c3)C2)C1 ZINC000292470867 511608934 /nfs/dbraw/zinc/60/89/34/511608934.db2.gz ZSOHWRQJFCTFSM-OAHLLOKOSA-N 0 3 368.231 2.525 20 5 FFBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000296215945 511659201 /nfs/dbraw/zinc/65/92/01/511659201.db2.gz CXJXRUGELZTOEC-NVXWUHKLSA-N 0 3 359.426 2.500 20 5 FFBDHN CN1CC[C@@]2(CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)C2)C1 ZINC000292699113 511690848 /nfs/dbraw/zinc/69/08/48/511690848.db2.gz QQINZVSRLSAMFZ-MRXNPFEDSA-N 0 3 370.356 2.756 20 5 FFBDHN O=C(CCN1CC[C@H](OCc2ccncc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000281043389 511699701 /nfs/dbraw/zinc/69/97/01/511699701.db2.gz QEYIEJWWPNPIKL-INIZCTEOSA-N 0 3 370.409 2.610 20 5 FFBDHN C[C@H](N[C@@H]1[C@H]2CCO[C@H]2C1(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000296454786 511749016 /nfs/dbraw/zinc/74/90/16/511749016.db2.gz XEHXFRIQFINIDC-FOOGCRFISA-N 0 3 367.833 2.978 20 5 FFBDHN CN1CCO[C@@H]2CCN(Cc3cc(=O)oc4ccc5ccccc5c34)C[C@@H]21 ZINC000284797605 511873822 /nfs/dbraw/zinc/87/38/22/511873822.db2.gz OITJSTREGISUNN-RBUKOAKNSA-N 0 3 364.445 2.851 20 5 FFBDHN Cc1n[nH]c(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000274579490 511879821 /nfs/dbraw/zinc/87/98/21/511879821.db2.gz SGIOJASEKYRLAE-HNNXBMFYSA-N 0 3 359.430 2.513 20 5 FFBDHN C[C@H](NCc1ccc(CS(C)(=O)=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293751992 512074164 /nfs/dbraw/zinc/07/41/64/512074164.db2.gz OGCONENWTKNHTR-LBPRGKRZSA-N 0 3 363.439 2.572 20 5 FFBDHN C[C@@H]1CN(CC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C)O1 ZINC000364410173 512107341 /nfs/dbraw/zinc/10/73/41/512107341.db2.gz AUQMELSEKPGYKE-GASCZTMLSA-N 0 3 361.442 2.556 20 5 FFBDHN COc1cccc(C(=O)N(CCN(C)C)Cc2ccsc2)c1[N+](=O)[O-] ZINC000411107423 512472412 /nfs/dbraw/zinc/47/24/12/512472412.db2.gz ALANEOQSSHNCAS-UHFFFAOYSA-N 0 3 363.439 2.869 20 5 FFBDHN Cc1c(CC(=O)N[C@H]2CN(C)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000374315535 512762705 /nfs/dbraw/zinc/76/27/05/512762705.db2.gz GAWLSSAIPDSNHO-ROUUACIJSA-N 0 3 353.422 2.660 20 5 FFBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000376523510 512855967 /nfs/dbraw/zinc/85/59/67/512855967.db2.gz VOTBQKSIRCMCIO-CXAGYDPISA-N 0 3 358.442 2.868 20 5 FFBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@](CO)(c3ccccc3)C2)c1 ZINC000374531873 512876404 /nfs/dbraw/zinc/87/64/04/512876404.db2.gz SXXDQKHSZOELGS-PMACEKPBSA-N 0 3 356.422 2.654 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@](CO)(c3ccccc3)C2)c1 ZINC000374531876 512876595 /nfs/dbraw/zinc/87/65/95/512876595.db2.gz SXXDQKHSZOELGS-WOJBJXKFSA-N 0 3 356.422 2.654 20 5 FFBDHN CCOc1ccc(NC(=O)CN[C@@H](C)[C@](C)(OC)C2CC2)c([N+](=O)[O-])c1 ZINC000411973079 512897008 /nfs/dbraw/zinc/89/70/08/512897008.db2.gz RBDDDPYTEZGPGE-SGTLLEGYSA-N 0 3 365.430 2.725 20 5 FFBDHN CNc1ccc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000389952303 512903609 /nfs/dbraw/zinc/90/36/09/512903609.db2.gz SNMINEUWGIKXND-KBXCAEBGSA-N 0 3 368.437 2.887 20 5 FFBDHN C[C@H](C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)N1[C@H](C)CC[C@H]1C ZINC000411996279 512906807 /nfs/dbraw/zinc/90/68/07/512906807.db2.gz GEQJXDHFJOITQK-IJLUTSLNSA-N 0 3 358.402 2.580 20 5 FFBDHN O=[N+]([O-])c1ccc2[nH]c(CNC3(CO)C4CC5CC(C4)CC3C5)nc2c1 ZINC000412002605 512907931 /nfs/dbraw/zinc/90/79/31/512907931.db2.gz MAXMTOIXKUSHOQ-UHFFFAOYSA-N 0 3 356.426 2.748 20 5 FFBDHN C[C@@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000450411861 513182139 /nfs/dbraw/zinc/18/21/39/513182139.db2.gz OGXLDJGAZZZFAD-QAPCUYQASA-N 0 3 369.469 2.605 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@]3(CCCc4ccccc43)C2)c1 ZINC000440326301 513293583 /nfs/dbraw/zinc/29/35/83/513293583.db2.gz MGKIUGDNHLQJON-QUCCMNQESA-N 0 3 370.453 2.522 20 5 FFBDHN CCc1nn(C)c(N2CCN(Cc3ccccc3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000450810650 513351278 /nfs/dbraw/zinc/35/12/78/513351278.db2.gz MTAMIPYWULCHSA-HNNXBMFYSA-N 0 3 357.458 2.849 20 5 FFBDHN CN1C[C@@H]2CCCN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)[C@@H]2C1 ZINC000425055283 513392751 /nfs/dbraw/zinc/39/27/51/513392751.db2.gz HFFLNZZPVMKDCK-XJKSGUPXSA-N 0 3 372.450 2.885 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCN(CC3CCOCC3)CC2)c2cccnc21 ZINC000413157990 513489836 /nfs/dbraw/zinc/48/98/36/513489836.db2.gz RHJFZQIMYUMWMU-UHFFFAOYSA-N 0 3 356.426 2.692 20 5 FFBDHN O=[N+]([O-])c1ccc2ccnc(N3CCN(CC4CCOCC4)CC3)c2c1 ZINC000413163200 513491744 /nfs/dbraw/zinc/49/17/44/513491744.db2.gz XHGAPGVMAWFAHP-UHFFFAOYSA-N 0 3 356.426 2.692 20 5 FFBDHN CN(C)[C@]1(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CCSC1 ZINC000413166139 513493959 /nfs/dbraw/zinc/49/39/59/513493959.db2.gz GCSQEHJZBYAZCN-LBPRGKRZSA-N 0 3 350.366 2.858 20 5 FFBDHN COc1ccc(OCCN2CCC[C@@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000441186291 513508334 /nfs/dbraw/zinc/50/83/34/513508334.db2.gz WNDSXDZADQZSLF-HUUCEWRRSA-N 0 3 350.415 2.731 20 5 FFBDHN O=[N+]([O-])c1ccc2[nH]c(=NCC3(N4CCSCC4)CCCC3)[nH]c2c1 ZINC000447692847 513545047 /nfs/dbraw/zinc/54/50/47/513545047.db2.gz JBDYUFHUKZDIEP-UHFFFAOYSA-N 0 3 361.471 2.667 20 5 FFBDHN COc1cnccc1N1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413275358 513562091 /nfs/dbraw/zinc/56/20/91/513562091.db2.gz XFNRALLVBDYXEE-UHFFFAOYSA-N 0 3 365.393 2.873 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000442093140 513666117 /nfs/dbraw/zinc/66/61/17/513666117.db2.gz GZTSQHUJQJBKFJ-GUTXKFCHSA-N 0 3 369.487 2.548 20 5 FFBDHN O=C1[C@H](N2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451343680 513689642 /nfs/dbraw/zinc/68/96/42/513689642.db2.gz OSIQADPCXAQWBR-MANSERQUSA-N 0 3 373.453 2.716 20 5 FFBDHN CC(C)Oc1cc(C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000413620309 513740054 /nfs/dbraw/zinc/74/00/54/513740054.db2.gz AASQFCLTQGYJIX-HZPDHXFCSA-N 0 3 361.442 2.938 20 5 FFBDHN CCO[C@@H]1C[C@H](N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C12CCC2 ZINC000451484536 513779471 /nfs/dbraw/zinc/77/94/71/513779471.db2.gz XGEWXSBTHRUPAP-YESZJQIVSA-N 0 3 359.426 2.637 20 5 FFBDHN CO[C@H]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1(C)C ZINC000451558516 513833337 /nfs/dbraw/zinc/83/33/37/513833337.db2.gz DCBBYPIQJBVNGJ-INIZCTEOSA-N 0 3 363.414 2.640 20 5 FFBDHN C[C@@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1C ZINC000448697169 513851041 /nfs/dbraw/zinc/85/10/41/513851041.db2.gz LFKBBLCFFQQHBF-GJZGRUSLSA-N 0 3 361.442 2.937 20 5 FFBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448780726 513896090 /nfs/dbraw/zinc/89/60/90/513896090.db2.gz KWJHYYACJWRNQQ-CABCVRRESA-N 0 3 361.442 2.794 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)C(C)(C)CN2CCCC2)c1C ZINC000416664078 513896776 /nfs/dbraw/zinc/89/67/76/513896776.db2.gz RQFKOMGQXVWFAY-UHFFFAOYSA-N 0 3 369.487 2.707 20 5 FFBDHN CCC[C@@H](O)[C@H](CO)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000419809126 513936639 /nfs/dbraw/zinc/93/66/39/513936639.db2.gz GIUCLCWENBYEOX-GOEBONIOSA-N 0 3 350.440 2.935 20 5 FFBDHN COc1ccc(CNC(=O)C(C)(C)[C@@H](N)c2ccccc2)cc1[N+](=O)[O-] ZINC000423064676 514025144 /nfs/dbraw/zinc/02/51/44/514025144.db2.gz ZKXSEEZOOWBAMB-KRWDZBQOSA-N 0 3 357.410 2.946 20 5 FFBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])Nc1cc(C(N)=O)ccc1CN(C)C ZINC000449054639 514052841 /nfs/dbraw/zinc/05/28/41/514052841.db2.gz HOMHFMFBJHOIQK-ZDUSSCGKSA-N 0 3 356.426 2.798 20 5 FFBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1cccnc1N1CCOCC1 ZINC000449078045 514063865 /nfs/dbraw/zinc/06/38/65/514063865.db2.gz TZYFARFBWJJVHV-HNNXBMFYSA-N 0 3 356.426 2.547 20 5 FFBDHN Cc1cc(OCC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000432197217 514123398 /nfs/dbraw/zinc/12/33/98/514123398.db2.gz WUGCKPYXLHYLQJ-XLIONFOSSA-N 0 3 369.421 2.844 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420639511 514211237 /nfs/dbraw/zinc/21/12/37/514211237.db2.gz QNGIJNANFGFNFG-OAHLLOKOSA-N 0 3 368.437 2.652 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H]1CCCS(=O)(=O)C1)CCCC2 ZINC000417331614 514297765 /nfs/dbraw/zinc/29/77/65/514297765.db2.gz MOWWACYZSMBJAO-SUMWQHHRSA-N 0 3 352.456 2.777 20 5 FFBDHN CCOC(=O)c1cc(NCCCN2CCCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000432861961 514304624 /nfs/dbraw/zinc/30/46/24/514304624.db2.gz CQQCAABJCBIMFE-AWEZNQCLSA-N 0 3 365.430 2.684 20 5 FFBDHN O=[N+]([O-])c1cccc(OCCN2CCC(CO)(c3ccccc3)CC2)c1 ZINC000433051400 514362333 /nfs/dbraw/zinc/36/23/33/514362333.db2.gz GVVWQFQEBOHNOP-UHFFFAOYSA-N 0 3 356.422 3.000 20 5 FFBDHN CN(C)C(=O)[C@@H]1CC[C@@H](CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)O1 ZINC000433226822 514428014 /nfs/dbraw/zinc/42/80/14/514428014.db2.gz IFBIZNXZDCDRJG-XKQJLSEDSA-N 0 3 361.442 2.543 20 5 FFBDHN CN(C)CC1(NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCC1 ZINC000439351194 514536220 /nfs/dbraw/zinc/53/62/20/514536220.db2.gz NTEWMCVMWSTDHW-UHFFFAOYSA-N 0 3 358.345 2.802 20 5 FFBDHN Cc1cc([C@@H](C)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cs1 ZINC000453151828 514560034 /nfs/dbraw/zinc/56/00/34/514560034.db2.gz WKAZLUZDNQXFNC-GFCCVEGCSA-N 0 3 369.468 2.594 20 5 FFBDHN CCC[C@@H]1CN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])CCN1CCOC ZINC000466199519 514573824 /nfs/dbraw/zinc/57/38/24/514573824.db2.gz DTXJJFMJHWJQHV-OAHLLOKOSA-N 0 3 369.437 2.675 20 5 FFBDHN CN1CCN(CC2CCN(c3nccc4c3cccc4[N+](=O)[O-])CC2)CC1 ZINC000450273736 514574960 /nfs/dbraw/zinc/57/49/60/514574960.db2.gz IDFVFPVJIDZHLB-UHFFFAOYSA-N 0 3 369.469 2.607 20 5 FFBDHN CCN1CCC(n2nccc2NC(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000475529159 514704535 /nfs/dbraw/zinc/70/45/35/514704535.db2.gz LIDTVQWTFVMOCD-UHFFFAOYSA-N 0 3 373.413 2.709 20 5 FFBDHN Cc1nc(N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000471058817 514735251 /nfs/dbraw/zinc/73/52/51/514735251.db2.gz GPHDLCKQNQTDLW-IAGOWNOFSA-N 0 3 356.426 2.593 20 5 FFBDHN CCN(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)c1ccsc1 ZINC000498369889 514886174 /nfs/dbraw/zinc/88/61/74/514886174.db2.gz XGCGYUIWSLGHIQ-AWEZNQCLSA-N 0 3 350.444 2.808 20 5 FFBDHN CCN(CC)C[C@@H](C)Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000480489938 514974389 /nfs/dbraw/zinc/97/43/89/514974389.db2.gz LZKXVNWYJGAZHD-CYBMUJFWSA-N 0 3 359.430 2.702 20 5 FFBDHN CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000509354590 515138576 /nfs/dbraw/zinc/13/85/76/515138576.db2.gz KTCNFVBSCLQRKL-KRWDZBQOSA-N 0 3 356.426 2.953 20 5 FFBDHN CN(C)C1(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CCCCC1 ZINC000468307678 515305928 /nfs/dbraw/zinc/30/59/28/515305928.db2.gz IGIJCRHHLUEKDO-UHFFFAOYSA-N 0 3 355.460 2.675 20 5 FFBDHN CCC[C@H](N[C@H]1CCOC[C@@H]1OCCOC)c1cccc([N+](=O)[O-])c1 ZINC000486060550 515318272 /nfs/dbraw/zinc/31/82/72/515318272.db2.gz HOTKGQMMUBHNAP-BZSNNMDCSA-N 0 3 352.431 2.846 20 5 FFBDHN CCN1CCC[C@H]1CNCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000491061871 515368323 /nfs/dbraw/zinc/36/83/23/515368323.db2.gz TYDXZYGYAPIKAH-ZDUSSCGKSA-N 0 3 373.400 2.821 20 5 FFBDHN C[C@H]1COCCN1CCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000491069540 515369061 /nfs/dbraw/zinc/36/90/61/515369061.db2.gz YEADQQSUPUSEQR-JXFKEZNVSA-N 0 3 355.438 2.995 20 5 FFBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000486235949 515393286 /nfs/dbraw/zinc/39/32/86/515393286.db2.gz SEFJQGQUCHJCNW-VXGBXAGGSA-N 0 3 355.385 2.795 20 5 FFBDHN CCOC(=O)C[C@@](C)(NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000481707882 515432964 /nfs/dbraw/zinc/43/29/64/515432964.db2.gz QTRPNAONAHOWOA-GOSISDBHSA-N 0 3 365.430 2.515 20 5 FFBDHN CN(CCCNC(=O)CN(C)c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000463446232 515502410 /nfs/dbraw/zinc/50/24/10/515502410.db2.gz GVERYGGWXAMZRI-UHFFFAOYSA-N 0 3 370.453 2.669 20 5 FFBDHN Cc1n[nH]c(C(=O)NCc2ccccc2CN2CCCCC2)c1[N+](=O)[O-] ZINC000492307432 515525840 /nfs/dbraw/zinc/52/58/40/515525840.db2.gz HKSRCLRILRLORL-UHFFFAOYSA-N 0 3 357.414 2.542 20 5 FFBDHN COc1cc(CN2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)ccc1[N+](=O)[O-] ZINC000492784581 515563297 /nfs/dbraw/zinc/56/32/97/515563297.db2.gz PWSPYDIGIGEIHR-CQSZACIVSA-N 0 3 357.414 2.979 20 5 FFBDHN COc1cc(CN2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)ccc1[N+](=O)[O-] ZINC000492784581 515563310 /nfs/dbraw/zinc/56/33/10/515563310.db2.gz PWSPYDIGIGEIHR-CQSZACIVSA-N 0 3 357.414 2.979 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000493507337 515639501 /nfs/dbraw/zinc/63/95/01/515639501.db2.gz UQEMXWJKXGWXAU-ZOWXZIJZSA-N 0 3 367.833 2.568 20 5 FFBDHN C[C@H](CCCc1cccnc1)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000459637036 515712110 /nfs/dbraw/zinc/71/21/10/515712110.db2.gz HVTQUNKWHYAGRX-OAHLLOKOSA-N 0 3 368.437 2.880 20 5 FFBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1n[nH]c(C(C)(C)C)n1 ZINC000459682965 515740130 /nfs/dbraw/zinc/74/01/30/515740130.db2.gz TZMAFDBMZGQSEO-LLVKDONJSA-N 0 3 360.418 2.517 20 5 FFBDHN COC(=O)COc1ccc(CNC[C@@H]2CCCCS2)cc1[N+](=O)[O-] ZINC000473988939 515833608 /nfs/dbraw/zinc/83/36/08/515833608.db2.gz XIFLUZOFCDAGNE-ZDUSSCGKSA-N 0 3 354.428 2.522 20 5 FFBDHN COC(=O)COc1ccc(CN[C@H](C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000474025136 515848491 /nfs/dbraw/zinc/84/84/91/515848491.db2.gz WXOXSHYZMORYNY-SECBINFHSA-N 0 3 350.293 2.577 20 5 FFBDHN CCC1(CC)CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCS1 ZINC000464589557 515885551 /nfs/dbraw/zinc/88/55/51/515885551.db2.gz YSGPKSIITGIMNK-OAHLLOKOSA-N 0 3 354.472 2.942 20 5 FFBDHN COc1cc(CNC[C@@]2(C)CCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494696385 515930888 /nfs/dbraw/zinc/93/08/88/515930888.db2.gz HPYPQJGNYKIVDF-MRXNPFEDSA-N 0 3 360.357 2.764 20 5 FFBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNc1ccc([N+](=O)[O-])cc1Cl ZINC000506755498 515975346 /nfs/dbraw/zinc/97/53/46/515975346.db2.gz VOFCBUNPYJPVMV-HNNXBMFYSA-N 0 3 354.838 2.603 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CN1C1CC1 ZINC000487819718 515992019 /nfs/dbraw/zinc/99/20/19/515992019.db2.gz QCAGYOWAQVDGCG-SMDDNHRTSA-N 0 3 366.849 2.715 20 5 FFBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CCN(C)C1CC1 ZINC000474568726 516096520 /nfs/dbraw/zinc/09/65/20/516096520.db2.gz RWKQYDSCIWUHLV-LLVKDONJSA-N 0 3 355.822 2.568 20 5 FFBDHN COC(=O)c1cc(NC[C@]2(N(C)C)CCSC2)cc(C)c1[N+](=O)[O-] ZINC000474772289 516187900 /nfs/dbraw/zinc/18/79/00/516187900.db2.gz FFGIBCUAZKXXPT-MRXNPFEDSA-N 0 3 353.444 2.539 20 5 FFBDHN CC1=CCC[C@H](C)[C@H]1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000479435584 516194272 /nfs/dbraw/zinc/19/42/72/516194272.db2.gz GKLKQSRSABZSGJ-YOEHRIQHSA-N 0 3 352.456 2.951 20 5 FFBDHN CCN1C[C@H](C)N(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C[C@H]1C ZINC000497558321 516326357 /nfs/dbraw/zinc/32/63/57/516326357.db2.gz NZNYULTUHCWNQF-CABCVRRESA-N 0 3 360.458 2.750 20 5 FFBDHN CC1CCC(N2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000523713274 516556619 /nfs/dbraw/zinc/55/66/19/516556619.db2.gz YLWIOCMFDZNKON-UHFFFAOYSA-N 0 3 361.442 2.697 20 5 FFBDHN CCN(C[C@@H]1CCCN1CC)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000547799410 516570528 /nfs/dbraw/zinc/57/05/28/516570528.db2.gz ZDQRYPLGPMFSEF-INIZCTEOSA-N 0 3 371.441 2.727 20 5 FFBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000554834177 516656092 /nfs/dbraw/zinc/65/60/92/516656092.db2.gz DGCZSKSVAXYRIR-UHFFFAOYSA-N 0 3 372.812 2.931 20 5 FFBDHN COc1ccc(CN(C)C)cc1NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000524313718 516692684 /nfs/dbraw/zinc/69/26/84/516692684.db2.gz HGQOEVCPMFRFBQ-UHFFFAOYSA-N 0 3 373.409 2.855 20 5 FFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000544655998 516858182 /nfs/dbraw/zinc/85/81/82/516858182.db2.gz VGEJWRDABHVNSO-ZFWWWQNUSA-N 0 3 369.487 2.705 20 5 FFBDHN COC(=O)c1ccccc1OCCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000558742083 516924537 /nfs/dbraw/zinc/92/45/37/516924537.db2.gz WGVXQMJQQUIBQN-UHFFFAOYSA-N 0 3 358.394 2.935 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@@H]1N1CCCC1 ZINC000548517013 517029906 /nfs/dbraw/zinc/02/99/06/517029906.db2.gz YRQXZMIMYFTEDV-JKSUJKDBSA-N 0 3 374.466 2.728 20 5 FFBDHN CNC(=O)COc1cccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000552086562 517071859 /nfs/dbraw/zinc/07/18/59/517071859.db2.gz KBACJVYBESKARJ-CQSZACIVSA-N 0 3 357.410 2.879 20 5 FFBDHN COC(=O)CC1(NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCCCC1 ZINC000532723901 517115371 /nfs/dbraw/zinc/11/53/71/517115371.db2.gz GXNSOANNNYKJOA-UHFFFAOYSA-N 0 3 363.414 2.697 20 5 FFBDHN CC[C@@H](NC[C@H](N1CCOCC1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000514956322 517143025 /nfs/dbraw/zinc/14/30/25/517143025.db2.gz CNGLEFLHOZKMST-CABCVRRESA-N 0 3 361.364 2.899 20 5 FFBDHN C[C@@H](Cc1ccsc1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541740810 517194341 /nfs/dbraw/zinc/19/43/41/517194341.db2.gz RDFHUTINIDMSDM-LBPRGKRZSA-N 0 3 354.453 2.651 20 5 FFBDHN COc1cc(C[C@H](CO)CNCc2ccc([N+](=O)[O-])cc2C)cc(OC)c1 ZINC000541776021 517211574 /nfs/dbraw/zinc/21/15/74/517211574.db2.gz HGQHTVDDNOMANP-INIZCTEOSA-N 0 3 374.437 2.861 20 5 FFBDHN CC(C)(C)N1CCCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000556133957 517282720 /nfs/dbraw/zinc/28/27/20/517282720.db2.gz HHBJHTVOZLXFKC-UHFFFAOYSA-N 0 3 361.442 2.891 20 5 FFBDHN C[C@H]1CCN(C)CCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000556187825 517308792 /nfs/dbraw/zinc/30/87/92/517308792.db2.gz RKEJYJQMXNSDGE-JTQLQIEISA-N 0 3 358.345 2.754 20 5 FFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000559570116 517319087 /nfs/dbraw/zinc/31/90/87/517319087.db2.gz QCJVXMLENBYCHJ-NSHDSACASA-N 0 3 370.247 2.737 20 5 FFBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000520254721 517320954 /nfs/dbraw/zinc/32/09/54/517320954.db2.gz LKQODJOSSFNDBG-HUUCEWRRSA-N 0 3 364.446 2.536 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCN(C)C2CCCCC2)cc1C ZINC000520268196 517324586 /nfs/dbraw/zinc/32/45/86/517324586.db2.gz APCVRZIWMHUGTE-UHFFFAOYSA-N 0 3 369.487 2.754 20 5 FFBDHN CCCc1n[nH]c(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)c1[N+](=O)[O-] ZINC000520303996 517337353 /nfs/dbraw/zinc/33/73/53/517337353.db2.gz RTWYVGSWVBHTPV-OAHLLOKOSA-N 0 3 359.430 2.612 20 5 FFBDHN COc1ccc(NC(=O)NC[C@H](C)N2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000542030231 517346672 /nfs/dbraw/zinc/34/66/72/517346672.db2.gz RGKFLFWBTVVKQR-STQMWFEESA-N 0 3 350.419 2.988 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCCOc2cccc(Cl)c2)c1 ZINC000515466959 517362792 /nfs/dbraw/zinc/36/27/92/517362792.db2.gz HOFJXOQSPYYQRJ-OAHLLOKOSA-N 0 3 366.801 2.657 20 5 FFBDHN CSC1(CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CCN(C)CC1 ZINC000520664845 517473199 /nfs/dbraw/zinc/47/31/99/517473199.db2.gz BDQRWOHPPHKJDL-UHFFFAOYSA-N 0 3 352.460 2.852 20 5 FFBDHN Cc1ccc([C@@H](C)NC[C@@H](O)COc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000538277660 517536242 /nfs/dbraw/zinc/53/62/42/517536242.db2.gz WSRRWRFYNKVHRX-UKRRQHHQSA-N 0 3 374.393 2.722 20 5 FFBDHN CCCc1n[nH]c(C(=O)N(CCC)CCN2CCCCC2)c1[N+](=O)[O-] ZINC000553152356 517545619 /nfs/dbraw/zinc/54/56/19/517545619.db2.gz MOXDZSDOVCUWBD-UHFFFAOYSA-N 0 3 351.451 2.609 20 5 FFBDHN CCCc1[nH]nc(C(=O)N(CCC)CCN2CCCCC2)c1[N+](=O)[O-] ZINC000553152356 517545624 /nfs/dbraw/zinc/54/56/24/517545624.db2.gz MOXDZSDOVCUWBD-UHFFFAOYSA-N 0 3 351.451 2.609 20 5 FFBDHN COc1cc(N2CC[C@H](OCCN3CCCCC3)C2)c([N+](=O)[O-])cc1F ZINC000533638106 517557022 /nfs/dbraw/zinc/55/70/22/517557022.db2.gz NALPYDFXVDCVQN-AWEZNQCLSA-N 0 3 367.421 2.824 20 5 FFBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cc(-n4ccnc4)cs3)C2)nc1 ZINC000542466686 517582011 /nfs/dbraw/zinc/58/20/11/517582011.db2.gz QIBUAGYWNZXSDF-ZDUSSCGKSA-N 0 3 370.438 2.923 20 5 FFBDHN CN(C)CCOc1cccc(-c2noc(-c3cc([N+](=O)[O-])cn3C)n2)c1 ZINC000546402338 517666228 /nfs/dbraw/zinc/66/62/28/517666228.db2.gz MJMKOGPGKXUHNH-UHFFFAOYSA-N 0 3 357.370 2.591 20 5 FFBDHN CCC(CC)[C@H](CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])N(C)C ZINC000527385326 517671708 /nfs/dbraw/zinc/67/17/08/517671708.db2.gz GXSQWPLTPDBONG-HNNXBMFYSA-N 0 3 357.476 2.548 20 5 FFBDHN C[C@@H]1CCCCN1CCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000556874433 517721038 /nfs/dbraw/zinc/72/10/38/517721038.db2.gz JUNQNMJRQSMPFS-QAPCUYQASA-N 0 3 357.458 2.882 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H](c2ccccc2F)C1 ZINC000549813502 517723216 /nfs/dbraw/zinc/72/32/16/517723216.db2.gz OZIGVOJUDQLXLP-HUUCEWRRSA-N 0 3 360.385 2.963 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H](N1CCOCC1)C(F)(F)F)CCC2 ZINC000556920125 517749020 /nfs/dbraw/zinc/74/90/20/517749020.db2.gz DWULLCMTIVWNQI-JKSUJKDBSA-N 0 3 373.375 2.825 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@H](N1CCOCC1)C(F)(F)F)CCC2 ZINC000556920121 517749274 /nfs/dbraw/zinc/74/92/74/517749274.db2.gz DWULLCMTIVWNQI-HOTGVXAUSA-N 0 3 373.375 2.825 20 5 FFBDHN CCCN(CCN1CCCC1)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000553601881 517803537 /nfs/dbraw/zinc/80/35/37/517803537.db2.gz QXAPSKKNYLXGNI-UHFFFAOYSA-N 0 3 360.458 2.799 20 5 FFBDHN C[C@H]1CCCN(CCNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000542921256 517816425 /nfs/dbraw/zinc/81/64/25/517816425.db2.gz ZNHLQSOUVSMXCS-NSHDSACASA-N 0 3 357.357 2.658 20 5 FFBDHN CCOc1ccc([C@H](C)NCCC2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000539053024 517898273 /nfs/dbraw/zinc/89/82/73/517898273.db2.gz OIAYZOMRHNGLQX-ZDUSSCGKSA-N 0 3 370.471 2.859 20 5 FFBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000522045113 517963499 /nfs/dbraw/zinc/96/34/99/517963499.db2.gz PMAPAIDMNAEXOE-UHFFFAOYSA-N 0 3 362.455 2.637 20 5 FFBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000534690262 518002184 /nfs/dbraw/zinc/00/21/84/518002184.db2.gz FUWRNLVIYNKVEC-GOSISDBHSA-N 0 3 368.437 2.711 20 5 FFBDHN Cc1n[nH]c(C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000522528569 518121318 /nfs/dbraw/zinc/12/13/18/518121318.db2.gz FBEYMFZHUKORJF-ZDUSSCGKSA-N 0 3 357.414 2.582 20 5 FFBDHN C[C@@]1(NC(=O)Cc2cccc([N+](=O)[O-])c2)CCN(Cc2ccccc2)C1 ZINC000569725658 518260470 /nfs/dbraw/zinc/26/04/70/518260470.db2.gz CYYQUGNPKKSNIS-HXUWFJFHSA-N 0 3 353.422 2.918 20 5 FFBDHN CCOC(=O)c1ccnc(N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000581455831 518292781 /nfs/dbraw/zinc/29/27/81/518292781.db2.gz BJNYQAMCCALFRC-MGPQQGTHSA-N 0 3 364.446 2.945 20 5 FFBDHN O=C(CCN1CCNC[C@H]1c1cccc(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000566974528 518292737 /nfs/dbraw/zinc/29/27/37/518292737.db2.gz YRUYUYBLFZTONH-SFHVURJKSA-N 0 3 372.400 2.709 20 5 FFBDHN CN1CCC2(CCCN2C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000584803301 518484251 /nfs/dbraw/zinc/48/42/51/518484251.db2.gz DDXKNNILQCEQGD-UHFFFAOYSA-N 0 3 353.369 2.502 20 5 FFBDHN CN(C)[C@@H](CNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C)c1ccccc1 ZINC000585702174 518566195 /nfs/dbraw/zinc/56/61/95/518566195.db2.gz VRPBYKSHEFSBFS-SFHVURJKSA-N 0 3 369.425 2.500 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2ccccc2OC(F)F)c1 ZINC000579209606 518574566 /nfs/dbraw/zinc/57/45/66/518574566.db2.gz SKFSIHCPLYEPLN-AWEZNQCLSA-N 0 3 368.336 2.726 20 5 FFBDHN COC(=O)COc1ccc(CN[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)cc1[N+](=O)[O-] ZINC000573289126 518593895 /nfs/dbraw/zinc/59/38/95/518593895.db2.gz QAZJGTXRMOIUBV-UIAACRFSSA-N 0 3 368.389 2.575 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCCc2cccs2)cc1 ZINC000576457706 518601805 /nfs/dbraw/zinc/60/18/05/518601805.db2.gz QLAOOWYOHCDUOS-UHFFFAOYSA-N 0 3 354.453 2.652 20 5 FFBDHN C[C@@H](CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)Oc1cccc(F)c1 ZINC000564854397 518656342 /nfs/dbraw/zinc/65/63/42/518656342.db2.gz LYZRRUYUSOORAK-XJKSGUPXSA-N 0 3 364.373 2.531 20 5 FFBDHN CSC1(CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCN(C)CC1 ZINC000579897904 518904012 /nfs/dbraw/zinc/90/40/12/518904012.db2.gz OWPDUNDQASQCAA-UHFFFAOYSA-N 0 3 356.423 2.683 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)n1 ZINC000582853306 518953994 /nfs/dbraw/zinc/95/39/94/518953994.db2.gz XPYWFNXZHXMRGP-RWMBFGLXSA-N 0 3 350.419 2.555 20 5 FFBDHN CCN(C[C@H]1CCCN1CC)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000577578152 519146909 /nfs/dbraw/zinc/14/69/09/519146909.db2.gz XIPZSBRWXGJKGQ-MRXNPFEDSA-N 0 3 371.441 2.727 20 5 FFBDHN CCSc1cc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])ccn1 ZINC000583377331 519216625 /nfs/dbraw/zinc/21/66/25/519216625.db2.gz PJZXBJHPZQJLTC-AWEZNQCLSA-N 0 3 363.439 2.631 20 5 FFBDHN CC1CCN(c2ccc(C(=O)N3CC[C@@H]4CN(C)C[C@H]43)cc2[N+](=O)[O-])CC1 ZINC000590446587 519235877 /nfs/dbraw/zinc/23/58/77/519235877.db2.gz UWQQAOQUKZOFNY-VQIMIIECSA-N 0 3 372.469 2.607 20 5 FFBDHN Cc1ccnc([C@@H]2CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000580656755 519288730 /nfs/dbraw/zinc/28/87/30/519288730.db2.gz FFVOGGAYXMPJKW-WBVHZDCISA-N 0 3 357.410 2.527 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2C[C@H]2c2ccc(F)cc2)cc1 ZINC000568992146 519320617 /nfs/dbraw/zinc/32/06/17/519320617.db2.gz XGIWGRNVRQAIBG-DLBZAZTESA-N 0 3 364.398 2.653 20 5 FFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCN1CC[C@H](C)C1 ZINC000578030768 519381612 /nfs/dbraw/zinc/38/16/12/519381612.db2.gz PTXDBFLVOWLZIB-JTQLQIEISA-N 0 3 370.247 2.737 20 5 FFBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594418462 519954502 /nfs/dbraw/zinc/95/45/02/519954502.db2.gz JFHOKYFIEFUCNC-ROUUACIJSA-N 0 3 360.458 2.920 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC2(CCSCC2)CC1 ZINC000602948596 519988698 /nfs/dbraw/zinc/98/86/98/519988698.db2.gz BCERHZISKNTKOB-OAHLLOKOSA-N 0 3 366.483 2.944 20 5 FFBDHN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCNCC3(C)C)cc2[N+](=O)[O-])C1 ZINC000591677845 519994323 /nfs/dbraw/zinc/99/43/23/519994323.db2.gz HAKBLQVGFWMOQI-GASCZTMLSA-N 0 3 374.485 2.901 20 5 FFBDHN COc1cccc([N+](=O)[O-])c1N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000594575567 520036381 /nfs/dbraw/zinc/03/63/81/520036381.db2.gz KMEQARLHSVAUNL-HXUWFJFHSA-N 0 3 371.437 2.677 20 5 FFBDHN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCNC2(CCCCC2)C1 ZINC000594628981 520061659 /nfs/dbraw/zinc/06/16/59/520061659.db2.gz SOBRVYDLBJUOLP-UHFFFAOYSA-N 0 3 354.410 2.891 20 5 FFBDHN COc1cc(CNCCN2CCCc3ccccc32)c([N+](=O)[O-])cc1O ZINC000608782112 520126640 /nfs/dbraw/zinc/12/66/40/520126640.db2.gz OBEIKSCZRUPCTM-UHFFFAOYSA-N 0 3 357.410 2.851 20 5 FFBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000597604755 520130842 /nfs/dbraw/zinc/13/08/42/520130842.db2.gz KFIKXRAZOPWMJQ-CYBMUJFWSA-N 0 3 370.247 2.914 20 5 FFBDHN CN(CC(=O)NC[C@H]1CCN1C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000600229083 520139890 /nfs/dbraw/zinc/13/98/90/520139890.db2.gz OPKRSBYJJYMMPS-MRXNPFEDSA-N 0 3 360.458 2.554 20 5 FFBDHN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C(F)F ZINC000595030780 520262508 /nfs/dbraw/zinc/26/25/08/520262508.db2.gz ASXRGCSWAWWBQV-SNVBAGLBSA-N 0 3 350.387 2.638 20 5 FFBDHN Cn1ccnc1[C@@H](N[C@H]1CCN(C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595056502 520272285 /nfs/dbraw/zinc/27/22/85/520272285.db2.gz KAFKUOFDGUBJCL-RDJZCZTQSA-N 0 3 357.458 2.880 20 5 FFBDHN COc1ccc(CC(=O)NC[C@@H](C)N(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000609506094 520337196 /nfs/dbraw/zinc/33/71/96/520337196.db2.gz CHDQDYDJJSWXSD-OAHLLOKOSA-N 0 3 371.437 2.783 20 5 FFBDHN O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000595234509 520364850 /nfs/dbraw/zinc/36/48/50/520364850.db2.gz JSAXVCDQGXHREI-SFHVURJKSA-N 0 3 370.409 2.620 20 5 FFBDHN Cc1cc(S(=O)(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000609673408 520403462 /nfs/dbraw/zinc/40/34/62/520403462.db2.gz GVPOVVXVGKLYMF-ZIAGYGMSSA-N 0 3 369.487 2.550 20 5 FFBDHN O=[N+]([O-])c1ccc2ncnc(N3CCN(CCc4ccccc4)CC3)c2c1 ZINC000609849933 520457635 /nfs/dbraw/zinc/45/76/35/520457635.db2.gz ZJANSUMVCGWIAB-UHFFFAOYSA-N 0 3 363.421 2.903 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3COCCN3)o2)c(Cl)c1 ZINC000600777629 520462414 /nfs/dbraw/zinc/46/24/14/520462414.db2.gz VNGQIABLTOZGIC-NSHDSACASA-N 0 3 351.790 2.586 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](CO)[C@H](C)c1ccccc1 ZINC000613389280 520479490 /nfs/dbraw/zinc/47/94/90/520479490.db2.gz HTXWLXUNUSOCSJ-ZBFHGGJFSA-N 0 3 357.410 2.596 20 5 FFBDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000598195847 520486791 /nfs/dbraw/zinc/48/67/91/520486791.db2.gz UPDPVYQBEMYTOM-QGZVFWFLSA-N 0 3 353.422 2.984 20 5 FFBDHN C[C@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000604472090 520569579 /nfs/dbraw/zinc/56/95/79/520569579.db2.gz AGQHAOIZLWVDBQ-OAHLLOKOSA-N 0 3 371.441 2.631 20 5 FFBDHN O=C(Nc1ccc(CN2CCC(O)CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000604539176 520593639 /nfs/dbraw/zinc/59/36/39/520593639.db2.gz RQXOVNBAMHVLIR-UHFFFAOYSA-N 0 3 355.394 2.804 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000592880352 520631010 /nfs/dbraw/zinc/63/10/10/520631010.db2.gz HCGGRBROGJUCLL-QAPCUYQASA-N 0 3 369.421 2.679 20 5 FFBDHN C[C@H](NC[C@]1(O)CCN(Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000610422074 520675647 /nfs/dbraw/zinc/67/56/47/520675647.db2.gz UQBGJHKCKVKUQR-OXJNMPFZSA-N 0 3 355.438 2.882 20 5 FFBDHN Cc1ccc(C(=O)N2CC3(CCCC3)OC[C@H]2CN(C)C)cc1[N+](=O)[O-] ZINC000598536236 520687157 /nfs/dbraw/zinc/68/71/57/520687157.db2.gz PMDHHKFUPIMGAB-MRXNPFEDSA-N 0 3 361.442 2.619 20 5 FFBDHN CC[C@@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)N1 ZINC000598536571 520687563 /nfs/dbraw/zinc/68/75/63/520687563.db2.gz SLJKOBHWZHDYRQ-WCQYABFASA-N 0 3 360.439 2.931 20 5 FFBDHN CC[C@@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)N1 ZINC000598535319 520687658 /nfs/dbraw/zinc/68/76/58/520687658.db2.gz AYZYVIHDWMNIRV-WCQYABFASA-N 0 3 360.439 2.931 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](CCO)C2CCCCC2)c1 ZINC000593019327 520688262 /nfs/dbraw/zinc/68/82/62/520688262.db2.gz AKUAEQRNPNBZME-INIZCTEOSA-N 0 3 350.415 2.802 20 5 FFBDHN COc1cc(CN[C@@H]2CCC[C@@H]2Cc2cnn(C)c2)c([N+](=O)[O-])cc1F ZINC000595774018 520714902 /nfs/dbraw/zinc/71/49/02/520714902.db2.gz ZDLLPEUQIHXBON-CZUORRHYSA-N 0 3 362.405 2.977 20 5 FFBDHN COC(=O)c1ccnc(NC[C@H](C)N(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000598595252 520731805 /nfs/dbraw/zinc/73/18/05/520731805.db2.gz HGYSOLPWSYFZIK-ZDUSSCGKSA-N 0 3 358.398 2.709 20 5 FFBDHN CCCN1CC[C@@H](NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000595801029 520735080 /nfs/dbraw/zinc/73/50/80/520735080.db2.gz VPZARTFIKBNQEY-IAGOWNOFSA-N 0 3 360.458 2.968 20 5 FFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000598612512 520742329 /nfs/dbraw/zinc/74/23/29/520742329.db2.gz QABNONDTEPFOBP-UKRRQHHQSA-N 0 3 369.487 2.562 20 5 FFBDHN Cc1ccc(S(=O)(=O)N(C)C(C)(C)CN2CCCC2)c(C)c1[N+](=O)[O-] ZINC000598617294 520745116 /nfs/dbraw/zinc/74/51/16/520745116.db2.gz GMQWNSMWHJCCFA-UHFFFAOYSA-N 0 3 369.487 2.707 20 5 FFBDHN COC(=O)c1ccnc(N[C@H]2CCN(Cc3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000598627701 520751321 /nfs/dbraw/zinc/75/13/21/520751321.db2.gz XQUMAXHIDPYDHV-BBRMVZONSA-N 0 3 370.409 2.851 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CCOC(C)(C)C ZINC000610859928 520877194 /nfs/dbraw/zinc/87/71/94/520877194.db2.gz WAOCHTDMQQXTSZ-UHFFFAOYSA-N 0 3 353.419 2.679 20 5 FFBDHN Cc1cc(NCCCN2CCC(O)CC2)c(Br)cc1[N+](=O)[O-] ZINC000596086582 520904179 /nfs/dbraw/zinc/90/41/79/520904179.db2.gz SESYEGZSZMDGKO-UHFFFAOYSA-N 0 3 372.263 2.924 20 5 FFBDHN O=c1[n-]ccc(N2CCC[N@H+](CCCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000596108447 520917850 /nfs/dbraw/zinc/91/78/50/520917850.db2.gz CETREHZMPVHVMW-UHFFFAOYSA-N 0 3 356.426 2.840 20 5 FFBDHN O=c1[n-]ccc(N2CCC[N@@H+](CCCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000596108447 520917858 /nfs/dbraw/zinc/91/78/58/520917858.db2.gz CETREHZMPVHVMW-UHFFFAOYSA-N 0 3 356.426 2.840 20 5 FFBDHN COC(=O)c1c(Cl)c(N(C)C[C@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000596129087 520929633 /nfs/dbraw/zinc/92/96/33/520929633.db2.gz MGLYRKODWIUGPM-NSHDSACASA-N 0 3 355.822 2.813 20 5 FFBDHN C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CCN1Cc1ccccc1 ZINC000596144620 520936277 /nfs/dbraw/zinc/93/62/77/520936277.db2.gz MEJPZYZSYBAUTH-OAHLLOKOSA-N 0 3 368.437 2.795 20 5 FFBDHN CN1CCOC[C@@H]1CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000599004211 520974060 /nfs/dbraw/zinc/97/40/60/520974060.db2.gz QFZBKRQHBJQKNJ-ZDUSSCGKSA-N 0 3 365.817 2.928 20 5 FFBDHN O=[N+]([O-])c1cc2c(nc1N1CCC(N3CCCOCC3)CC1)CCCC2 ZINC000596268586 521001791 /nfs/dbraw/zinc/00/17/91/521001791.db2.gz MSSQODBLMGMISR-UHFFFAOYSA-N 0 3 360.458 2.560 20 5 FFBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H](CO)c1ccnn1C ZINC000599054307 521004083 /nfs/dbraw/zinc/00/40/83/521004083.db2.gz JCAOYLVGMFPVJW-CHWSQXEVSA-N 0 3 350.444 2.522 20 5 FFBDHN Cc1c([C@@H](C)NC[C@H]2CN(Cc3ccncc3)CCO2)cccc1[N+](=O)[O-] ZINC000599088304 521024296 /nfs/dbraw/zinc/02/42/96/521024296.db2.gz QCEHDAOHFJXAMJ-AEFFLSMTSA-N 0 3 370.453 2.850 20 5 FFBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCN(c2ccncc2)CC1 ZINC000618398317 521051597 /nfs/dbraw/zinc/05/15/97/521051597.db2.gz ZVGCTYGCAMQZLS-UHFFFAOYSA-N 0 3 360.801 2.914 20 5 FFBDHN CCC1(N2CCOCC2)CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000599183086 521075164 /nfs/dbraw/zinc/07/51/64/521075164.db2.gz GFCSJXDTCNTMFO-UHFFFAOYSA-N 0 3 371.441 2.619 20 5 FFBDHN CCOC(=O)c1ccnc(N[C@H](C)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000596488636 521095935 /nfs/dbraw/zinc/09/59/35/521095935.db2.gz RVYAONDFZMYRJM-CYBMUJFWSA-N 0 3 350.419 2.699 20 5 FFBDHN CN(C)C[C@@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000593708357 521167965 /nfs/dbraw/zinc/16/79/65/521167965.db2.gz NPQWRNWXQRQLQG-MRXNPFEDSA-N 0 3 363.364 2.835 20 5 FFBDHN CN(CCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccccc1 ZINC000618898224 521283170 /nfs/dbraw/zinc/28/31/70/521283170.db2.gz KMFPHHBQQVOIQX-UHFFFAOYSA-N 0 3 371.393 2.575 20 5 FFBDHN Cc1ccc(CN2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)cn1 ZINC000593970321 521320846 /nfs/dbraw/zinc/32/08/46/521320846.db2.gz QSVDTDIMRLMIMP-UHFFFAOYSA-N 0 3 366.425 2.887 20 5 FFBDHN CCOCCN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCc2ccccc21 ZINC000599624389 521340282 /nfs/dbraw/zinc/34/02/82/521340282.db2.gz DJLZDMJXDPWWMT-LJQANCHMSA-N 0 3 371.437 2.783 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3CCN(c4ccccc4)C3)CC2)cn1 ZINC000602437566 521347301 /nfs/dbraw/zinc/34/73/01/521347301.db2.gz CFFBVBZFIQVXLV-KRWDZBQOSA-N 0 3 367.453 2.638 20 5 FFBDHN CCC(C)(C)N1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000594021894 521356693 /nfs/dbraw/zinc/35/66/93/521356693.db2.gz ZDXNLVYZFQMMBM-UHFFFAOYSA-N 0 3 359.430 2.951 20 5 FFBDHN CCC1(N2CCOCC2)CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000599668511 521381828 /nfs/dbraw/zinc/38/18/28/521381828.db2.gz GPMIEKQWFLUZBP-UHFFFAOYSA-N 0 3 363.458 2.550 20 5 FFBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594198138 521465263 /nfs/dbraw/zinc/46/52/63/521465263.db2.gz SJRNZFFUGYKQCH-HOTGVXAUSA-N 0 3 351.834 2.924 20 5 FFBDHN CN(C)C1(CN(C)C(=O)c2c(Br)cccc2[N+](=O)[O-])CCC1 ZINC000599801561 521482219 /nfs/dbraw/zinc/48/22/19/521482219.db2.gz KKOBXJJDULUECX-UHFFFAOYSA-N 0 3 370.247 2.914 20 5 FFBDHN Cn1ncc(C2CCC2)c1CNC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602718985 521493505 /nfs/dbraw/zinc/49/35/05/521493505.db2.gz MQHMYBXPWZFLSZ-UHFFFAOYSA-N 0 3 370.457 2.749 20 5 FFBDHN CC(C)CN(CCN(C)C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597096570 521503628 /nfs/dbraw/zinc/50/36/28/521503628.db2.gz ANCDETVFVGXNGM-UHFFFAOYSA-N 0 3 357.842 2.882 20 5 FFBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000615835650 521552593 /nfs/dbraw/zinc/55/25/93/521552593.db2.gz XVAUGACNKLJICN-MBGNVJMVSA-N 0 3 358.486 2.710 20 5 FFBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000615835653 521552641 /nfs/dbraw/zinc/55/26/41/521552641.db2.gz XVAUGACNKLJICN-XMJIKXADSA-N 0 3 358.486 2.710 20 5 FFBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC1CC[NH+](C2CCCC2)CC1 ZINC000823630071 606403559 /nfs/dbraw/zinc/40/35/59/606403559.db2.gz QOGXRVLAGLKGPE-UHFFFAOYSA-N 0 3 357.418 2.594 20 5 FFBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC1CC[NH+](C2CCCC2)CC1 ZINC000823630071 606403560 /nfs/dbraw/zinc/40/35/60/606403560.db2.gz QOGXRVLAGLKGPE-UHFFFAOYSA-N 0 3 357.418 2.594 20 5 FFBDHN Cc1ccc([C@@H](C)[NH2+]CCOc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000826282798 608280245 /nfs/dbraw/zinc/28/02/45/608280245.db2.gz CPTJJHGQLDZZGL-CYBMUJFWSA-N 0 3 368.397 2.813 20 5 FFBDHN CC(C)CN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])C1CCN(C)CC1 ZINC000865810136 730999901 /nfs/dbraw/zinc/99/99/01/730999901.db2.gz LTHAWVZNOCMETA-UHFFFAOYSA-N 0 3 351.422 2.855 20 5 FFBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000874830731 732104779 /nfs/dbraw/zinc/10/47/79/732104779.db2.gz SSOOZDBWODIGQO-KGLIPLIRSA-N 0 3 355.797 2.625 20 5 FFBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000874831656 732105217 /nfs/dbraw/zinc/10/52/17/732105217.db2.gz ADNZDQMANBLELV-VXGBXAGGSA-N 0 3 355.341 2.505 20 5 FFBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCCCNc1ncccn1 ZINC000876874252 732290638 /nfs/dbraw/zinc/29/06/38/732290638.db2.gz BNNRLLOUXLCSII-UHFFFAOYSA-N 0 3 355.320 2.995 20 5 FFBDHN C[C@@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCCCC1 ZINC000781605710 738640498 /nfs/dbraw/zinc/64/04/98/738640498.db2.gz CPFXMRUYRXVPBW-NSHDSACASA-N 0 3 357.357 2.800 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1CCC2(CCOCC2)O1 ZINC000927022248 738682326 /nfs/dbraw/zinc/68/23/26/738682326.db2.gz YTMKGOPIYMCCHX-DZGCQCFKSA-N 0 3 350.415 2.982 20 5 FFBDHN CC1(C)C[C@@H](NCC[C@@H]2CCCS2(=O)=O)c2cc([N+](=O)[O-])ccc21 ZINC000883308119 733366062 /nfs/dbraw/zinc/36/60/62/733366062.db2.gz IIVZVLYBBJKWBL-XJKSGUPXSA-N 0 3 352.456 2.874 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCN2C2CCOCC2)cc1Cl ZINC000885889162 733726543 /nfs/dbraw/zinc/72/65/43/733726543.db2.gz YFJVOXCYXOIXPX-CYBMUJFWSA-N 0 3 367.833 2.540 20 5 FFBDHN CCCN(C(=O)Nc1ccc([N+](=O)[O-])c(OCC)c1)[C@@H]1CCN(C)C1 ZINC000888831333 734103492 /nfs/dbraw/zinc/10/34/92/734103492.db2.gz JCGFAXFGKMWVCM-CQSZACIVSA-N 0 3 350.419 2.942 20 5 FFBDHN CN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCN(C)C1 ZINC000894047149 734792610 /nfs/dbraw/zinc/79/26/10/734792610.db2.gz HOZDJJAQPZSHNS-AWEZNQCLSA-N 0 3 354.838 2.526 20 5 FFBDHN CN1CCC[C@@H]1CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000895888346 735070534 /nfs/dbraw/zinc/07/05/34/735070534.db2.gz SUTYLFQGBNMEHO-SSDOTTSWSA-N 0 3 350.177 2.865 20 5 FFBDHN CS(=O)(=O)c1ccccc1CCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000896811938 735184403 /nfs/dbraw/zinc/18/44/03/735184403.db2.gz PZWFDECDHQRNMT-UHFFFAOYSA-N 0 3 368.842 2.984 20 5 FFBDHN COc1cc([C@H](C)NCC[S@](=O)CC(F)(F)F)cc([N+](=O)[O-])c1 ZINC000903201652 736054070 /nfs/dbraw/zinc/05/40/70/736054070.db2.gz ZAXTVOSKMQFOEU-KLVQOETNSA-N 0 3 354.350 2.565 20 5 FFBDHN CC(C)CN(CCN(C)C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000757254944 736398980 /nfs/dbraw/zinc/39/89/80/736398980.db2.gz GKSZFALNXMRBCQ-UHFFFAOYSA-N 0 3 356.854 2.977 20 5 FFBDHN CCN1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)[C@H](C)C1 ZINC000910285295 737052831 /nfs/dbraw/zinc/05/28/31/737052831.db2.gz XDKHXKAAVPVQTK-LLVKDONJSA-N 0 3 357.357 2.753 20 5 FFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000771762312 737753396 /nfs/dbraw/zinc/75/33/96/737753396.db2.gz OCSOSCYBOWEZPE-QWHCGFSZSA-N 0 3 373.450 2.536 20 5 FFBDHN COc1cc(CNC[C@@H]2CCC[C@H](C(F)(F)F)O2)c([N+](=O)[O-])cc1O ZINC000922694177 738186812 /nfs/dbraw/zinc/18/68/12/738186812.db2.gz KCPLPIMIMONTAI-IINYFYTJSA-N 0 3 364.320 2.899 20 5 FFBDHN O=C(NC[C@@H]1CCN1C1CCOCC1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000931296889 739239926 /nfs/dbraw/zinc/23/99/26/739239926.db2.gz CNUAPDRCVYHAMQ-LBPRGKRZSA-N 0 3 368.821 2.623 20 5 FFBDHN COc1cnccc1N1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000793370218 739774777 /nfs/dbraw/zinc/77/47/77/739774777.db2.gz PJJYJFXZDDQQKP-UHFFFAOYSA-N 0 3 362.817 2.974 20 5 FFBDHN CC(COC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)[N+](=O)[O-] ZINC000813105939 741677333 /nfs/dbraw/zinc/67/73/33/741677333.db2.gz VRWYBHUDWFCYIL-SNVBAGLBSA-N 0 3 353.762 2.921 20 5 FFBDHN CCn1c(SCC(=O)OCC(C)[N+](=O)[O-])nnc1-c1cccc(C)c1 ZINC000813106253 741677392 /nfs/dbraw/zinc/67/73/92/741677392.db2.gz BLIDMECTMGXYEG-LBPRGKRZSA-N 0 3 364.427 2.574 20 5 FFBDHN CC(COC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)[N+](=O)[O-] ZINC000813108699 741677848 /nfs/dbraw/zinc/67/78/48/741677848.db2.gz KGLDHEXNRGCOHV-IUCAKERBSA-N 0 3 361.181 2.555 20 5 FFBDHN CC(COC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813112744 741678545 /nfs/dbraw/zinc/67/85/45/741678545.db2.gz KHCMNYHGURLWEO-LBPRGKRZSA-N 0 3 351.359 2.653 20 5 FFBDHN Cc1cc(Cl)c(C(=O)NC2CCN([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000826928593 743472303 /nfs/dbraw/zinc/47/23/03/743472303.db2.gz GZYLAXYODPNJTD-ZDUSSCGKSA-N 0 3 367.833 2.540 20 5 FFBDHN Cc1cc([C@@H](N)CC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc(Cl)n1 ZINC000827544109 743598281 /nfs/dbraw/zinc/59/82/81/743598281.db2.gz WBBKYBAYLJJPDU-HNNXBMFYSA-N 0 3 362.817 2.700 20 5 FFBDHN C[C@@H]1CN(CCCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@@H](C)O1 ZINC000829801479 745261927 /nfs/dbraw/zinc/26/19/27/745261927.db2.gz QGOMKRHTMJNHLW-CHWSQXEVSA-N 0 3 369.849 2.867 20 5 FFBDHN CN(Cc1ccccc1)C[C@@H](O)COc1ccc([N+](=O)[O-])c(F)c1F ZINC000834388038 745829339 /nfs/dbraw/zinc/82/93/39/745829339.db2.gz ODUCPGSHIWVAQD-CYBMUJFWSA-N 0 3 352.337 2.745 20 5 FFBDHN CC[C@H](C(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)N(C)C ZINC000840526935 747116339 /nfs/dbraw/zinc/11/63/39/747116339.db2.gz KTLZDUGXPSGYSM-BXKDBHETSA-N 0 3 351.300 2.794 20 5 FFBDHN CC(COC(=O)c1nn(-c2ccc(Cl)cc2F)c2c1CCC2)[N+](=O)[O-] ZINC000842802275 747692959 /nfs/dbraw/zinc/69/29/59/747692959.db2.gz UMHIOHZYAVVQPC-SECBINFHSA-N 0 3 367.764 2.976 20 5 FFBDHN CCN(CC)C(=O)CCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845875915 748342099 /nfs/dbraw/zinc/34/20/99/748342099.db2.gz LUOGXQLMWFFINC-SJCJKPOMSA-N 0 3 354.378 2.724 20 5 FFBDHN CC([C@H](OC(=O)c1cn(C(C)(C)C)nn1)c1ccccc1F)[N+](=O)[O-] ZINC000845883300 748344292 /nfs/dbraw/zinc/34/42/92/748344292.db2.gz RQAIMEBTFUUHSP-YGRLFVJLSA-N 0 3 350.350 2.736 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCOCCCO)o2)c(Cl)c1 ZINC000512879894 845930944 /nfs/dbraw/zinc/93/09/44/845930944.db2.gz LJTKQFGKYPVLIZ-UHFFFAOYSA-N 0 3 354.790 2.997 20 5 FFBDHN C[C@H](NCC(C)(C)[C@@H]1COCC12OCCO2)c1c(F)cccc1[N+](=O)[O-] ZINC000872079692 1013140792 /nfs/dbraw/zinc/14/07/92/1013140792.db2.gz OEGHCHWVCDENBP-WFASDCNBSA-N 0 3 368.405 2.800 20 5 FFBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H](CO)c2cccc(C(F)(F)F)c2)c1 ZINC000872217093 1013182472 /nfs/dbraw/zinc/18/24/72/1013182472.db2.gz MZJYCYXBIJDIMO-HOTGVXAUSA-N 0 3 370.327 2.970 20 5 FFBDHN C[C@]1(NC[C@H](O)COc2ccccc2[N+](=O)[O-])CCOc2ccccc21 ZINC000933367913 964202763 /nfs/dbraw/zinc/20/27/63/964202763.db2.gz ASOVOKYIKGFUAO-LIRRHRJNSA-N 0 3 358.394 2.622 20 5 FFBDHN Cc1c(NC(=O)[C@H](C)NCC2(C3(O)CCC3)CCC2)cccc1[N+](=O)[O-] ZINC001176051460 1013622996 /nfs/dbraw/zinc/62/29/96/1013622996.db2.gz DZOVXIUQKRTRCT-AWEZNQCLSA-N 0 3 361.442 2.905 20 5 FFBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000874850091 1013917704 /nfs/dbraw/zinc/91/77/04/1013917704.db2.gz NVRIIWQFORTVQY-NVXWUHKLSA-N 0 3 358.442 2.504 20 5 FFBDHN C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)CCN1Cc1ccccc1 ZINC000311652738 970098328 /nfs/dbraw/zinc/09/83/28/970098328.db2.gz UNZVYTPBQZCPSV-SCLBCKFNSA-N 0 3 354.410 2.570 20 5 FFBDHN Nc1ccc2c(c1)CN([C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)CCO2 ZINC000925755796 975336503 /nfs/dbraw/zinc/33/65/03/975336503.db2.gz YMVREPUAXFRCSZ-CVEARBPZSA-N 0 3 357.414 2.752 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000152204546 979133202 /nfs/dbraw/zinc/13/32/02/979133202.db2.gz DQUGJYCLARFOGL-CQSZACIVSA-N 0 3 357.414 2.849 20 5 FFBDHN CONC(=O)C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000877786770 1014727352 /nfs/dbraw/zinc/72/73/52/1014727352.db2.gz YCTPJJODLHHGGZ-UHFFFAOYSA-N 0 3 359.382 2.744 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cnccc2N2CCN(C)CC2)c1C ZINC000888378924 986345944 /nfs/dbraw/zinc/34/59/44/986345944.db2.gz FFJHFQMWNJUZGC-UHFFFAOYSA-N 0 3 369.425 2.611 20 5 FFBDHN COc1cccc([C@H](O)C2CCN(CCn3c(C)ncc3[N+](=O)[O-])CC2)c1 ZINC000879065446 1015348923 /nfs/dbraw/zinc/34/89/23/1015348923.db2.gz WGLXOKMHIJXMIG-LJQANCHMSA-N 0 3 374.441 2.554 20 5 FFBDHN Cc1cc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)c(N)c([N+](=O)[O-])c1 ZINC000843828885 988437183 /nfs/dbraw/zinc/43/71/83/988437183.db2.gz WNMOYXQIFUNMSB-MRXNPFEDSA-N 0 3 368.437 2.832 20 5 FFBDHN Cc1nc(C)c(CN2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)o1 ZINC000809977044 994655648 /nfs/dbraw/zinc/65/56/48/994655648.db2.gz OKZHZBRRPXLBCI-UHFFFAOYSA-N 0 3 370.413 2.788 20 5 FFBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc([N+](=O)[O-])n1C ZINC000824417403 996949898 /nfs/dbraw/zinc/94/98/98/996949898.db2.gz VVTIKWDJNGQLHQ-ZBFHGGJFSA-N 0 3 354.410 2.690 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]2CCc3ccccc3OC2)c1 ZINC000844322410 997806698 /nfs/dbraw/zinc/80/66/98/997806698.db2.gz CGVJSMUZEVDXQO-MRXNPFEDSA-N 0 3 356.378 2.865 20 5 FFBDHN Cc1nn(C)c(C)c1OCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845875190 998676897 /nfs/dbraw/zinc/67/68/97/998676897.db2.gz KMQIIMSUTDTBSG-PXAZEXFGSA-N 0 3 365.361 2.505 20 5 FFBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCO[C@@]3(CCCN(c4ccccc4)C3)C2)C1 ZINC001169023982 1000017845 /nfs/dbraw/zinc/01/78/45/1000017845.db2.gz WHIDRJRIFODCBI-YZGWKJHDSA-N 0 3 359.470 2.803 20 5 FFBDHN C[C@H](NC[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788506605 1001813568 /nfs/dbraw/zinc/81/35/68/1001813568.db2.gz WSWKFJXZKPQYKG-YJBOKZPZSA-N 0 3 370.453 2.729 20 5 FFBDHN COc1ccc(C[C@H](C)NCc2cc(OC(C)C)ncn2)c([N+](=O)[O-])c1 ZINC001170324650 1003113594 /nfs/dbraw/zinc/11/35/94/1003113594.db2.gz RYNAQICXEHUWRA-ZDUSSCGKSA-N 0 3 360.414 2.901 20 5 FFBDHN COC(=O)C[C@@H]1CCCN([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170352679 1003121855 /nfs/dbraw/zinc/12/18/55/1003121855.db2.gz QCYBNLMULHDCTR-KBPBESRZSA-N 0 3 350.415 2.810 20 5 FFBDHN CO[C@@]1(C)C[C@@H](NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1(C)C ZINC001170385908 1003138177 /nfs/dbraw/zinc/13/81/77/1003138177.db2.gz KHWIETOWUGQMPI-CJNGLKHVSA-N 0 3 355.822 2.980 20 5 FFBDHN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000804497773 1003704320 /nfs/dbraw/zinc/70/43/20/1003704320.db2.gz IEELJUZJEGJGAQ-SFHVURJKSA-N 0 3 372.381 2.552 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1ncccc1C ZINC001198640316 1004688403 /nfs/dbraw/zinc/68/84/03/1004688403.db2.gz BECDSSXWHBFIKQ-ZDUSSCGKSA-N 0 3 358.398 2.986 20 5 FFBDHN COc1ccc(N2C[C@@H](N[C@H](C)c3ccc(N)c([N+](=O)[O-])c3)CC2=O)cc1 ZINC000850516816 1005819985 /nfs/dbraw/zinc/81/99/85/1005819985.db2.gz ZBZSZKBEZWDAFM-OCCSQVGLSA-N 0 3 370.409 2.642 20 5 FFBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@@H](c2ccncc2)C2(CO)CCC2)cc1 ZINC000853134550 1006309818 /nfs/dbraw/zinc/30/98/18/1006309818.db2.gz WIXHOVYSQVSQSQ-MSOLQXFVSA-N 0 3 357.410 2.517 20 5 FFBDHN C[C@H](Cn1ncc2ccccc2c1=O)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815598997 1006704370 /nfs/dbraw/zinc/70/43/70/1006704370.db2.gz IRDNOOWGAHVTPJ-OLZOCXBDSA-N 0 3 367.409 2.626 20 5 FFBDHN O=C(NC[C@H]1CCN1C1CCOCC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000885891687 1007823898 /nfs/dbraw/zinc/82/38/98/1007823898.db2.gz WULWOSADQFOESA-MRXNPFEDSA-N 0 3 369.421 2.731 20 5 FFBDHN Cc1ccc(N2CCC[C@@H](NC[C@H](O)c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000819111810 1008047369 /nfs/dbraw/zinc/04/73/69/1008047369.db2.gz VYCKYJRKTNDMSB-MOPGFXCFSA-N 0 3 369.421 2.722 20 5 FFBDHN O=C(NC[C@H]1CCN1C1CCCC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000858871544 1008442918 /nfs/dbraw/zinc/44/29/18/1008442918.db2.gz IUFQSNYEEPFPIE-MRXNPFEDSA-N 0 3 358.442 2.679 20 5 FFBDHN O=C(Nc1ccc2c(c1)OCCNC2)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000859754335 1008649925 /nfs/dbraw/zinc/64/99/25/1008649925.db2.gz CQZGDHCYEFZQNV-UHFFFAOYSA-N 0 3 368.393 2.667 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823962326 1009281134 /nfs/dbraw/zinc/28/11/34/1009281134.db2.gz RLVWQKSMMFTGQX-DYVFJYSZSA-N 0 3 369.425 2.819 20 5 FFBDHN C[C@@H](N[C@@H]1CCc2ccccc2OC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000509517370 1009528515 /nfs/dbraw/zinc/52/85/15/1009528515.db2.gz TXJBBQWGTJZWBO-UKRRQHHQSA-N 0 3 355.394 2.905 20 5 FFBDHN CCN(CCc1ccccn1)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC001180176000 1009571270 /nfs/dbraw/zinc/57/12/70/1009571270.db2.gz ZXJBPXCFCYUAKX-UHFFFAOYSA-N 0 3 373.409 2.606 20 5 FFBDHN CC(C)[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000794614660 1010441982 /nfs/dbraw/zinc/44/19/82/1010441982.db2.gz SNRCLBBOFWJNEZ-MOPGFXCFSA-N 0 3 357.410 2.881 20 5 FFBDHN CC(C)[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000794614661 1010441993 /nfs/dbraw/zinc/44/19/93/1010441993.db2.gz SNRCLBBOFWJNEZ-OALUTQOASA-N 0 3 357.410 2.881 20 5 FFBDHN O=[N+]([O-])c1cnn(CCN[C@H](c2ccccc2)[C@@H](O)c2ccccc2)c1 ZINC000794657980 1010460039 /nfs/dbraw/zinc/46/00/39/1010460039.db2.gz MKDUIZGLASCIQZ-MOPGFXCFSA-N 0 3 352.394 2.856 20 5 FFBDHN CCOc1cc([N+](=O)[O-])ccc1-c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001217060934 1032600747 /nfs/dbraw/zinc/60/07/47/1032600747.db2.gz MPJFWFDNQBOKSK-UHFFFAOYSA-N 0 3 367.365 2.751 20 5 FFBDHN CCN(CC)C(=O)[C@@H](C)N[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173180342 1012324904 /nfs/dbraw/zinc/32/49/04/1012324904.db2.gz VOEVIKVDPRUJGX-VXGBXAGGSA-N 0 3 355.410 2.520 20 5 FFBDHN CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N[C@H]1CCN(C2CCC2)C1 ZINC001161175885 1032637190 /nfs/dbraw/zinc/63/71/90/1032637190.db2.gz NMQVXSKGRONAQM-JTQLQIEISA-N 0 3 368.821 2.859 20 5 FFBDHN C[C@@]1(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CCN(Cc2ccccc2)C1 ZINC000406048466 1032844049 /nfs/dbraw/zinc/84/40/49/1032844049.db2.gz XCACOWCCZUQMNO-LJQANCHMSA-N 0 3 354.410 2.571 20 5 FFBDHN CC[C@@H](C)NC(=O)c1cccc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000749676900 1021019808 /nfs/dbraw/zinc/01/98/08/1021019808.db2.gz MZQZMTVFQKIVJZ-KUHUBIRLSA-N 0 3 371.437 2.946 20 5 FFBDHN COc1cc(C(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1O[C@H]1CN[C@H]1C ZINC001218382994 1033130849 /nfs/dbraw/zinc/13/08/49/1033130849.db2.gz FJUOQAYRILOBQG-SJCJKPOMSA-N 0 3 356.378 2.882 20 5 FFBDHN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2cccc3ccccc32)C1 ZINC000950055837 1023694698 /nfs/dbraw/zinc/69/46/98/1023694698.db2.gz OFGIICXPHCOZAZ-RTBURBONSA-N 0 3 353.422 2.538 20 5 FFBDHN COC1CCN(C(C)(C)CNC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])CC1 ZINC000758483249 1024135680 /nfs/dbraw/zinc/13/56/80/1024135680.db2.gz AWIFNXMSJPIOJJ-UHFFFAOYSA-N 0 3 367.421 2.662 20 5 FFBDHN COc1cnccc1N1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000795286970 1025446395 /nfs/dbraw/zinc/44/63/95/1025446395.db2.gz HBCMBJRAUXVZEC-UHFFFAOYSA-N 0 3 356.382 2.528 20 5 FFBDHN C[C@H](CN1CCCCC1)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001141534344 1026525897 /nfs/dbraw/zinc/52/58/97/1026525897.db2.gz MJIMBMVGWNUVIM-SECBINFHSA-N 0 3 358.801 2.574 20 5 FFBDHN COC(=O)c1ccnc(-n2c(-c3ccccc3)cnc2[C@H](C)N)c1[N+](=O)[O-] ZINC001159595476 1027440198 /nfs/dbraw/zinc/44/01/98/1027440198.db2.gz MDYWWHYTKBAWQP-NSHDSACASA-N 0 3 367.365 2.649 20 5 FFBDHN COc1cnc(NCC2CCN(Cc3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC001161244065 1028090589 /nfs/dbraw/zinc/09/05/89/1028090589.db2.gz ZYLBDIITBVYYRY-UHFFFAOYSA-N 0 3 357.414 2.718 20 5 FFBDHN O=[N+]([O-])c1cnc(Cl)nc1N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC001165086685 1029374729 /nfs/dbraw/zinc/37/47/29/1029374729.db2.gz OAJMABLYWAEDDP-DZGCQCFKSA-N 0 3 359.817 2.749 20 5 FFBDHN CSc1nc(Cl)c([N+](=O)[O-])c(-n2nc(CN)c3ccccc32)n1 ZINC001156855802 1029378882 /nfs/dbraw/zinc/37/88/82/1029378882.db2.gz HDFAMEZBAXGZKG-UHFFFAOYSA-N 0 3 350.791 2.558 20 5 FFBDHN CCOC(=O)c1ccnc(N(C)CCN(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC001157556656 1029617573 /nfs/dbraw/zinc/61/75/73/1029617573.db2.gz MRADLAKCWQJDDZ-UHFFFAOYSA-N 0 3 372.425 2.735 20 5 FFBDHN Cc1nn(CN2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)c2ncc([N+](=O)[O-])cc12 ZINC000799153842 1031669715 /nfs/dbraw/zinc/66/97/15/1031669715.db2.gz AXONWFPFLWTVEB-DUOKCRBOSA-N 0 3 373.457 2.867 20 5 FFBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)OCCCN1CCN(C(C)C)CC1 ZINC000830369578 1033589533 /nfs/dbraw/zinc/58/95/33/1033589533.db2.gz MXHYVYBPHAYJGP-UHFFFAOYSA-N 0 3 367.421 2.615 20 5 FFBDHN CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000831237286 1034005351 /nfs/dbraw/zinc/00/53/51/1034005351.db2.gz PEOBDHJTIVZPQI-AVVWSFFYSA-N 0 3 365.430 2.616 20 5 FFBDHN O=C(CO[C@@H]1CCN(Cc2ccccc2)C1)OCc1ccc([N+](=O)[O-])cc1 ZINC001224985965 1034081184 /nfs/dbraw/zinc/08/11/84/1034081184.db2.gz BTDLQHXNUMBYBP-LJQANCHMSA-N 0 3 370.405 2.929 20 5 FFBDHN CC(C)N1CCC[C@@H]1C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001536567954 1070008478 /nfs/dbraw/zinc/00/84/78/1070008478.db2.gz MUMULDYDLUBSKX-CYBMUJFWSA-N 0 3 370.247 2.846 20 5 FFBDHN O=[N+]([O-])c1cc(O[C@@H]2CN3CCC2CC3)ccc1I ZINC001229951737 1036995296 /nfs/dbraw/zinc/99/52/96/1036995296.db2.gz RVKJHTLTMLQWGS-CYBMUJFWSA-N 0 3 374.178 2.672 20 5 FFBDHN CCN1CC[C@@H](Oc2c3nccc4c5ccccc5n(c43)c(=O)c2OC)C1 ZINC001234718997 1037155040 /nfs/dbraw/zinc/15/50/40/1037155040.db2.gz WOZCBZIVTRBZQH-CYBMUJFWSA-N 0 3 363.417 2.920 20 5 FFBDHN NC(=O)[C@H]1CN(Cc2c3ccccc3c(Cl)c3ccccc32)CCN1 ZINC001235754831 1037724196 /nfs/dbraw/zinc/72/41/96/1037724196.db2.gz TUHUNYMUEQCBPZ-GOSISDBHSA-N 0 3 353.853 2.906 20 5 FFBDHN Cc1noc(C[C@H]2C[C@H]3CN([C@@H](C)Cc4ccccc4[N+](=O)[O-])C[C@H]3O2)n1 ZINC001254559478 1040796415 /nfs/dbraw/zinc/79/64/15/1040796415.db2.gz YCZIQSSZCPURCD-BWUSGFMJSA-N 0 3 372.425 2.549 20 5 FFBDHN Cc1cc(OC2CCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)ncn1 ZINC001254605666 1040835150 /nfs/dbraw/zinc/83/51/50/1040835150.db2.gz BZQQCNATPOTBBG-QGZVFWFLSA-N 0 3 354.410 2.704 20 5 FFBDHN COc1cccnc1O[C@H]1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254611010 1040838664 /nfs/dbraw/zinc/83/86/64/1040838664.db2.gz NVCCHTVFNWVVKD-IRXDYDNUSA-N 0 3 355.394 2.619 20 5 FFBDHN CN1CCN(c2ccc3[nH]c(Cc4ccc([N+](=O)[O-])cc4)nc3c2)CC1 ZINC001250606204 1041263956 /nfs/dbraw/zinc/26/39/56/1041263956.db2.gz CSDOAKIZASNQCT-UHFFFAOYSA-N 0 3 351.410 2.814 20 5 FFBDHN CN1CCCC[C@H]1CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001262652525 1041776415 /nfs/dbraw/zinc/77/64/15/1041776415.db2.gz ISXNBCQMDFCIPY-LBPRGKRZSA-N 0 3 370.247 2.500 20 5 FFBDHN O=C1COc2ccccc2N1CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC001326560378 1046980344 /nfs/dbraw/zinc/98/03/44/1046980344.db2.gz FVTPJTVXNRELFJ-KRWDZBQOSA-N 0 3 367.405 2.987 20 5 FFBDHN CCn1c([C@H]2CCCN(C)C2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001340458560 1050852349 /nfs/dbraw/zinc/85/23/49/1050852349.db2.gz MXEMXZQQVABNIC-INIZCTEOSA-N 0 3 372.473 2.694 20 5 FFBDHN C[C@@H]1CCC[C@H](CN(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001307851203 1052357019 /nfs/dbraw/zinc/35/70/19/1052357019.db2.gz MKCMRTSWOQVGEZ-CABCVRRESA-N 0 3 369.487 2.631 20 5 FFBDHN CC(C)(O)CN1CCc2c(cccc2NC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC001344123816 1052610455 /nfs/dbraw/zinc/61/04/55/1052610455.db2.gz JQOZKAJVYJPMCJ-UHFFFAOYSA-N 0 3 363.458 2.590 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCc2ccc3c(c2)OC(F)(F)O3)cc1 ZINC001335313993 1053291366 /nfs/dbraw/zinc/29/13/66/1053291366.db2.gz JXNGFAPLNYPPJQ-ZDUSSCGKSA-N 0 3 352.293 2.740 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CC[C@H]3[C@@H]2CCCN3CCO)c(C(F)(F)F)c1 ZINC001335565338 1053439118 /nfs/dbraw/zinc/43/91/18/1053439118.db2.gz HYZISUMGJLTTMR-GJZGRUSLSA-N 0 3 359.348 2.649 20 5 FFBDHN NC1(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC2(CCC2)C1 ZINC001353146191 1056120889 /nfs/dbraw/zinc/12/08/89/1056120889.db2.gz KDAWRUKSXIPWPD-UHFFFAOYSA-N 0 3 368.231 2.635 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N(CCc2ccccc2)CCN(C)C)n1 ZINC001353593843 1056563169 /nfs/dbraw/zinc/56/31/69/1056563169.db2.gz RSYSDCWCSHUZGW-UHFFFAOYSA-N 0 3 356.426 2.545 20 5 FFBDHN Cc1c(NC(=O)N2CCN3CC[C@H]2C3)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001517810107 1058169088 /nfs/dbraw/zinc/16/90/88/1058169088.db2.gz DPBRWCZGQCMEAP-JTQLQIEISA-N 0 3 358.320 2.844 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)n1 ZINC001518643019 1058449393 /nfs/dbraw/zinc/44/93/93/1058449393.db2.gz PFGIARDXZYANQE-GOEBONIOSA-N 0 3 354.410 2.864 20 5 FFBDHN O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1CN1CCC[C@@H]1[C@H]1CCCOC1 ZINC000848490366 1060145456 /nfs/dbraw/zinc/14/54/56/1060145456.db2.gz ZZLOHHNZLUQQRG-YTQUADARSA-N 0 3 373.453 2.759 20 5 FFBDHN O=C(OC[C@@H]1CCN1C1CCOCC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001517121114 1060355606 /nfs/dbraw/zinc/35/56/06/1060355606.db2.gz CSAFCRRHCJXIDI-SFHVURJKSA-N 0 3 374.437 2.813 20 5 FFBDHN CC(C)(C(=O)OC[C@@H]1CCN1C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC001517124896 1060355867 /nfs/dbraw/zinc/35/58/67/1060355867.db2.gz PVLALCZWYAFWRV-KRWDZBQOSA-N 0 3 362.426 2.669 20 5 FFBDHN Cn1c([C@H]2CCCN(C)C2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001355719039 1060529625 /nfs/dbraw/zinc/52/96/25/1060529625.db2.gz URVVMTQQMNMTCO-HNNXBMFYSA-N 0 3 370.457 2.702 20 5 FFBDHN COC(=O)COc1ccc(CN(C)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC001459980528 1060864400 /nfs/dbraw/zinc/86/44/00/1060864400.db2.gz TYSYLIKYCXHSLT-UHFFFAOYSA-N 0 3 374.393 2.657 20 5 FFBDHN O=C(c1ccc([N+](=O)[O-])cc1)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001526057866 1060988635 /nfs/dbraw/zinc/98/86/35/1060988635.db2.gz MXZIUHSMMOCNIB-MJGOQNOKSA-N 0 3 351.406 2.941 20 5 FFBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC1CCN(CCOC(C)C)CC1 ZINC001465735943 1063198823 /nfs/dbraw/zinc/19/88/23/1063198823.db2.gz YFQSMYZDYGYJOB-UHFFFAOYSA-N 0 3 367.421 2.662 20 5 FFBDHN COC(=O)c1ccnc(N[C@@H]2CCN(Cc3cccc(C)c3)C2)c1[N+](=O)[O-] ZINC001472844147 1065155607 /nfs/dbraw/zinc/15/56/07/1065155607.db2.gz GKMNKPWRYDBPIS-OAHLLOKOSA-N 0 3 370.409 2.771 20 5 FFBDHN COc1cccc([C@H]2CN(Cc3ccc([N+](=O)[O-])cc3OC)CCN2)c1 ZINC001473740023 1065342465 /nfs/dbraw/zinc/34/24/65/1065342465.db2.gz ZPPCEHQBBHMRED-GOSISDBHSA-N 0 3 357.410 2.759 20 5 FFBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@@H](Cn2ccnc2)c2ccccc2)cc1 ZINC001473748187 1065345072 /nfs/dbraw/zinc/34/50/72/1065345072.db2.gz WLJZDVREEMSSNX-RBUKOAKNSA-N 0 3 352.394 2.856 20 5 FFBDHN O=C(CCN1CCC[C@@H](c2ncccn2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC001473804699 1065370432 /nfs/dbraw/zinc/37/04/32/1065370432.db2.gz IOAPOTKQUYJWTG-CYBMUJFWSA-N 0 3 373.388 2.732 20 5 FFBDHN O=[N+]([O-])c1cccc(Br)c1CNCC1CC2(C1)OCCO2 ZINC001474259894 1065480135 /nfs/dbraw/zinc/48/01/35/1065480135.db2.gz KXDCDNYDTYHLQG-UHFFFAOYSA-N 0 3 357.204 2.600 20 5 FFBDHN COc1c(O)ccc(CN[C@](C)(CO)Cc2ccccc2F)c1[N+](=O)[O-] ZINC001474651922 1065569552 /nfs/dbraw/zinc/56/95/52/1065569552.db2.gz DRHQWTMMAJBUAB-SFHVURJKSA-N 0 3 364.373 2.531 20 5 FFBDHN CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001588771252 1080188462 /nfs/dbraw/zinc/18/84/62/1080188462.db2.gz SYEYCPWNLLSRSJ-MDWZMJQESA-N 0 3 350.382 2.968 20 5 FFBDHN CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001588771252 1080188464 /nfs/dbraw/zinc/18/84/64/1080188464.db2.gz SYEYCPWNLLSRSJ-MDWZMJQESA-N 0 3 350.382 2.968 20 5 FFBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)NCC1CCN(c2ccncc2)CC1 ZINC000093120428 250014812 /nfs/dbraw/zinc/01/48/12/250014812.db2.gz VWHLDRQVHALEEK-UHFFFAOYSA-N 0 3 369.425 2.706 20 5 FFBDHN O=C(CCc1cccc([N+](=O)[O-])c1)NCC1CCN(c2ccncc2)CC1 ZINC000093066354 250015861 /nfs/dbraw/zinc/01/58/61/250015861.db2.gz AYZQKOOKCKESGZ-UHFFFAOYSA-N 0 3 368.437 2.955 20 5 FFBDHN COc1cc(CN[C@@H](C)[C@@H]2CCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000163001938 251164130 /nfs/dbraw/zinc/16/41/30/251164130.db2.gz VBCCNMTXCYCHQZ-WDEREUQCSA-N 0 3 360.357 2.762 20 5 FFBDHN O=[N+]([O-])c1ccc(Br)cc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000268780656 251381307 /nfs/dbraw/zinc/38/13/07/251381307.db2.gz CFMQNJSXGKYGGF-GFCCVEGCSA-N 0 3 370.247 2.516 20 5 FFBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H](N2CCCCC2)C1 ZINC000270433806 251544362 /nfs/dbraw/zinc/54/43/62/251544362.db2.gz PBBPERFIQQGDIB-MRXNPFEDSA-N 0 3 356.426 2.705 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](CO)c1ccc(F)cc1 ZINC000273079824 252209678 /nfs/dbraw/zinc/20/96/78/252209678.db2.gz HFAHNOXCFLVDJZ-KRWDZBQOSA-N 0 3 361.373 2.694 20 5 FFBDHN Cc1noc(C[C@@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000277075221 256158564 /nfs/dbraw/zinc/15/85/64/256158564.db2.gz DXPQXGKEKKXLCW-QZTJIDSGSA-N 0 3 368.393 2.893 20 5 FFBDHN CCN1CCC(n2nccc2NC(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000277167438 256167964 /nfs/dbraw/zinc/16/79/64/256167964.db2.gz RHJJXLAGZOUIPF-UHFFFAOYSA-N 0 3 373.413 2.709 20 5 FFBDHN O=[N+]([O-])c1ccc2[nH]c(CNC3CCN(c4nccs4)CC3)nc2c1 ZINC000278698742 256338924 /nfs/dbraw/zinc/33/89/24/256338924.db2.gz NNZIZCGFLZPXKU-UHFFFAOYSA-N 0 3 358.427 2.686 20 5 FFBDHN O=c1[nH]c(N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)nc2ccc([N+](=O)[O-])cc21 ZINC000286290894 257029849 /nfs/dbraw/zinc/02/98/49/257029849.db2.gz RXPLBPGCTVARNC-SJCJKPOMSA-N 0 3 369.425 2.697 20 5 FFBDHN O=c1[nH]c(N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)nc2ccc([N+](=O)[O-])cc21 ZINC000286290910 257029852 /nfs/dbraw/zinc/02/98/52/257029852.db2.gz RXPLBPGCTVARNC-YVEFUNNKSA-N 0 3 369.425 2.697 20 5 FFBDHN CCCN(CCN1CCCC1)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000287398832 257087374 /nfs/dbraw/zinc/08/73/74/257087374.db2.gz PIQRTNTXINAVGM-UHFFFAOYSA-N 0 3 372.425 2.797 20 5 FFBDHN CCCN(CCN1CCCC1)C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000287464421 257090621 /nfs/dbraw/zinc/09/06/21/257090621.db2.gz SFFLRUGBQRIGJN-UHFFFAOYSA-N 0 3 365.430 2.560 20 5 FFBDHN C[C@H](NC[C@](C)(O)CNC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000289378069 257277498 /nfs/dbraw/zinc/27/74/98/257277498.db2.gz PCNPQZYPIJWSLF-SJCJKPOMSA-N 0 3 353.419 2.521 20 5 FFBDHN Cc1ccc([C@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)N2CCCC2)cc1 ZINC000301115850 258026868 /nfs/dbraw/zinc/02/68/68/258026868.db2.gz OJADWCGWUYIIFF-KRWDZBQOSA-N 0 3 369.425 2.646 20 5 FFBDHN COc1ccc([C@H](CCO)NCCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000299732964 258021274 /nfs/dbraw/zinc/02/12/74/258021274.db2.gz YCTDYDQXXFWKHJ-INIZCTEOSA-N 0 3 373.409 2.645 20 5 FFBDHN Cc1cc(Nc2ncc([N+](=O)[O-])cn2)cc(N2CCN(C(C)C)CC2)c1 ZINC000302730813 258109311 /nfs/dbraw/zinc/10/93/11/258109311.db2.gz SJMMREJCLHQLKR-UHFFFAOYSA-N 0 3 356.430 2.967 20 5 FFBDHN COC1CCN(CCNc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000301534563 258054098 /nfs/dbraw/zinc/05/40/98/258054098.db2.gz LKGKGVPKFGJPCO-UHFFFAOYSA-N 0 3 371.441 2.883 20 5 FFBDHN COC1CCN(CCNc2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000301639007 258060329 /nfs/dbraw/zinc/06/03/29/258060329.db2.gz ATJBYSTZDXHHEO-UHFFFAOYSA-N 0 3 358.236 2.880 20 5 FFBDHN O=[N+]([O-])c1cnc(N2CC[C@H](OCCN3CCCCC3)C2)c(Cl)c1 ZINC000301734756 258065238 /nfs/dbraw/zinc/06/52/38/258065238.db2.gz GPOHOAYVWKHBTJ-AWEZNQCLSA-N 0 3 354.838 2.724 20 5 FFBDHN CCCCNC(=O)[C@H]1CC[C@@H](C)N(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000064995696 506248516 /nfs/dbraw/zinc/24/85/16/506248516.db2.gz HQVBYLSIAWHTOD-CVEARBPZSA-N 0 3 363.458 2.990 20 5 FFBDHN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@H](N2CCCC2)C1 ZINC000066160244 506433448 /nfs/dbraw/zinc/43/34/48/506433448.db2.gz DEDYEGVYYXLGCA-LBPRGKRZSA-N 0 3 370.356 2.898 20 5 FFBDHN CN(CCCNC(=O)NCCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000054645397 506594113 /nfs/dbraw/zinc/59/41/13/506594113.db2.gz CRAITIWBGJXJTH-UHFFFAOYSA-N 0 3 370.453 2.959 20 5 FFBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000055407752 506745210 /nfs/dbraw/zinc/74/52/10/506745210.db2.gz QWLLNOZHKWMIGO-HUUCEWRRSA-N 0 3 371.441 2.631 20 5 FFBDHN Cc1ccc([C@@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)N(C)C)cc1 ZINC000067267892 506810400 /nfs/dbraw/zinc/81/04/00/506810400.db2.gz YEBSMIBSVDLASX-QGZVFWFLSA-N 0 3 367.409 2.812 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)c1 ZINC000067786207 507008857 /nfs/dbraw/zinc/00/88/57/507008857.db2.gz DTOOGUMOTMVBDX-OAHLLOKOSA-N 0 3 357.410 2.506 20 5 FFBDHN NC(=O)c1ccc(NC2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000015207671 507025562 /nfs/dbraw/zinc/02/55/62/507025562.db2.gz AGJPQAYHOOTSCE-UHFFFAOYSA-N 0 3 354.410 2.770 20 5 FFBDHN C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@@H]1N1CCN(C)CC1 ZINC000371305411 512318097 /nfs/dbraw/zinc/31/80/97/512318097.db2.gz YRCVWEZLELBQDW-KSSFIOAISA-N 0 3 366.893 2.706 20 5 FFBDHN CN(C)Cc1ccc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000068252135 507161734 /nfs/dbraw/zinc/16/17/34/507161734.db2.gz AAEQYNRJUHOGJM-UHFFFAOYSA-N 0 3 368.437 2.619 20 5 FFBDHN CN(C)CCOc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000046721837 507181231 /nfs/dbraw/zinc/18/12/31/507181231.db2.gz RKKDBECZJQCNGU-UHFFFAOYSA-N 0 3 359.382 2.553 20 5 FFBDHN CCCc1n[nH]c(C(=O)NC[C@H](c2ccc(CC)cc2)N(C)C)c1[N+](=O)[O-] ZINC000068311315 507181607 /nfs/dbraw/zinc/18/16/07/507181607.db2.gz UWWZAWZMEPIHAD-MRXNPFEDSA-N 0 3 373.457 2.866 20 5 FFBDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000057202708 507204577 /nfs/dbraw/zinc/20/45/77/507204577.db2.gz IHSSBOCYVWEEFG-SFHVURJKSA-N 0 3 370.453 2.909 20 5 FFBDHN CCCN1CCC(N(C)S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC1 ZINC000057763035 507323469 /nfs/dbraw/zinc/32/34/69/507323469.db2.gz HVXPZRYVLUXRPM-UHFFFAOYSA-N 0 3 369.487 2.707 20 5 FFBDHN Cc1c(CS(=O)(=O)C(C)C(=O)NC2CCCCC2)cccc1[N+](=O)[O-] ZINC000048716964 507555475 /nfs/dbraw/zinc/55/54/75/507555475.db2.gz KXJIOTYXPQSFOR-ZDUSSCGKSA-N 0 3 368.455 2.655 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2noc(CN3CCN(C4CCCC4)CC3)n2)c1 ZINC000026130422 507560331 /nfs/dbraw/zinc/56/03/31/507560331.db2.gz KCVXLEZKIRLOOI-UHFFFAOYSA-N 0 3 357.414 2.705 20 5 FFBDHN COc1ccc(C(=O)N(Cc2ccco2)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000071838624 507720189 /nfs/dbraw/zinc/72/01/89/507720189.db2.gz STXMNFVXYOJYLD-UHFFFAOYSA-N 0 3 373.409 2.933 20 5 FFBDHN COc1cc(C(=O)N2CCCN(C(C)(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000063723589 507763953 /nfs/dbraw/zinc/76/39/53/507763953.db2.gz IZEFVHNRJFAXBW-UHFFFAOYSA-N 0 3 365.430 2.558 20 5 FFBDHN CCOC(=O)c1ccnc(N2CCCN(C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000077994909 507825312 /nfs/dbraw/zinc/82/53/12/507825312.db2.gz BFHSRVBFGDVSFP-UHFFFAOYSA-N 0 3 362.430 2.621 20 5 FFBDHN CN(c1ccccc1)c1ccc(CNCCNC(=O)C2CC2)cc1[N+](=O)[O-] ZINC000072726511 507848709 /nfs/dbraw/zinc/84/87/09/507848709.db2.gz HWFNWFODJKIHCP-UHFFFAOYSA-N 0 3 368.437 2.979 20 5 FFBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000108300930 507885060 /nfs/dbraw/zinc/88/50/60/507885060.db2.gz AXRNLILVZLCVSU-AWEZNQCLSA-N 0 3 372.450 2.932 20 5 FFBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(Cc2cccc(F)c2)CC1 ZINC000090517876 507924809 /nfs/dbraw/zinc/92/48/09/507924809.db2.gz QMGURLMQCMCVMT-UHFFFAOYSA-N 0 3 359.401 2.850 20 5 FFBDHN CCCN(CCN(C)C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079527194 507971500 /nfs/dbraw/zinc/97/15/00/507971500.db2.gz QXZXLXZDASILRL-UHFFFAOYSA-N 0 3 358.236 2.771 20 5 FFBDHN CCN1CCCC[C@H]1CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000110996804 508064281 /nfs/dbraw/zinc/06/42/81/508064281.db2.gz JPGAVELYMIISRF-INIZCTEOSA-N 0 3 371.441 2.600 20 5 FFBDHN CCOC(=O)[C@H]1CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000092456421 508072325 /nfs/dbraw/zinc/07/23/25/508072325.db2.gz AXSDPRIGJFCDJE-HNNXBMFYSA-N 0 3 372.425 2.770 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000092602497 508085976 /nfs/dbraw/zinc/08/59/76/508085976.db2.gz OGPLIYGOPGWWCZ-MRXNPFEDSA-N 0 3 361.442 2.503 20 5 FFBDHN COc1ccccc1C[C@@H](C)N(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000075896385 508142043 /nfs/dbraw/zinc/14/20/43/508142043.db2.gz KQKPZJQNADDTID-QAPCUYQASA-N 0 3 374.437 2.906 20 5 FFBDHN CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)CC(C)(CO)CO ZINC000093502687 508146390 /nfs/dbraw/zinc/14/63/90/508146390.db2.gz IUFNPYQEHAOICD-UHFFFAOYSA-N 0 3 350.440 2.746 20 5 FFBDHN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)CC(C)(CO)CO ZINC000093502564 508146859 /nfs/dbraw/zinc/14/68/59/508146859.db2.gz DMUVXEDZRFKTBZ-UHFFFAOYSA-N 0 3 350.440 2.746 20 5 FFBDHN CCCCN(C)CCNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000112333579 508175717 /nfs/dbraw/zinc/17/57/17/508175717.db2.gz MEYAEHKXTHMMBD-UHFFFAOYSA-N 0 3 359.430 2.703 20 5 FFBDHN CN(Cc1ccccc1)[C@@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000081534130 508187355 /nfs/dbraw/zinc/18/73/55/508187355.db2.gz YABSQSOXKZQYKL-QGZVFWFLSA-N 0 3 368.437 2.740 20 5 FFBDHN CN1CCC(N(Cc2ccco2)C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000112915697 508232889 /nfs/dbraw/zinc/23/28/89/508232889.db2.gz YRMFVYGIGMAOOZ-UHFFFAOYSA-N 0 3 358.398 2.507 20 5 FFBDHN CN(C)CCN(Cc1cccs1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000084250741 508271552 /nfs/dbraw/zinc/27/15/52/508271552.db2.gz AGGCQVFGNUCLTA-UHFFFAOYSA-N 0 3 363.439 2.626 20 5 FFBDHN CCCNC(=O)CCNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000102423854 508274986 /nfs/dbraw/zinc/27/49/86/508274986.db2.gz GAFKWSWQPZTUSS-UHFFFAOYSA-N 0 3 361.398 2.869 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNC(c2ccccc2)c2ccccc2)c1 ZINC000077221245 508288955 /nfs/dbraw/zinc/28/89/55/508288955.db2.gz YLOJAPUKGNOUKS-GOSISDBHSA-N 0 3 352.394 2.531 20 5 FFBDHN CN(CCN1CCCC1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000103116840 508297209 /nfs/dbraw/zinc/29/72/09/508297209.db2.gz BXTPMZVQWMFFBS-UHFFFAOYSA-N 0 3 360.439 2.886 20 5 FFBDHN CCc1ccc(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000085457643 508309705 /nfs/dbraw/zinc/30/97/05/508309705.db2.gz LXUVWFSXHJEKAM-GJZGRUSLSA-N 0 3 363.458 2.776 20 5 FFBDHN CCN1CCC(N(C)C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000105599415 508377702 /nfs/dbraw/zinc/37/77/02/508377702.db2.gz GXTGPECBDUTKIZ-LBPRGKRZSA-N 0 3 369.849 2.958 20 5 FFBDHN CN(C)Cc1ccc(CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000121791981 508419166 /nfs/dbraw/zinc/41/91/66/508419166.db2.gz ATEMQTJABFTLDM-UHFFFAOYSA-N 0 3 368.437 2.924 20 5 FFBDHN CC[C@H]1CCCCN1CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000134710229 508561184 /nfs/dbraw/zinc/56/11/84/508561184.db2.gz FWJIVHNCHAKLTL-HNNXBMFYSA-N 0 3 358.442 2.999 20 5 FFBDHN CCOc1cc(NCc2ccnc(OCCN(C)C)c2)ccc1[N+](=O)[O-] ZINC000135388984 508597412 /nfs/dbraw/zinc/59/74/12/508597412.db2.gz USDVPIDYNZRSFL-UHFFFAOYSA-N 0 3 360.414 2.941 20 5 FFBDHN CCOc1cc(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000123350442 508673902 /nfs/dbraw/zinc/67/39/02/508673902.db2.gz ZCGNFKRNIRLLIY-OLZOCXBDSA-N 0 3 365.430 2.557 20 5 FFBDHN O=[N+]([O-])c1cc(CN[C@@H](CCO)C2CCCCC2)c2c(c1)COCO2 ZINC000129454611 508728542 /nfs/dbraw/zinc/72/85/42/508728542.db2.gz JTYYWKLHNSNPSX-KRWDZBQOSA-N 0 3 350.415 2.882 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 ZINC000137527494 508759483 /nfs/dbraw/zinc/75/94/83/508759483.db2.gz AGYDHZJKODIEMD-CRAIPNDOSA-N 0 3 353.422 2.917 20 5 FFBDHN CCCN(CCN(CC)CC)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000119398816 508788781 /nfs/dbraw/zinc/78/87/81/508788781.db2.gz BVEQRKNRJMWSPI-UHFFFAOYSA-N 0 3 357.476 2.646 20 5 FFBDHN O=C(NC1CCN(C2CC2)CC1)c1ccc([N+](=O)[O-])cc1Br ZINC000159125416 508796183 /nfs/dbraw/zinc/79/61/83/508796183.db2.gz KFGXEGHEIJIRJD-UHFFFAOYSA-N 0 3 368.231 2.714 20 5 FFBDHN CN(C)[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000159132867 508797539 /nfs/dbraw/zinc/79/75/39/508797539.db2.gz JFQMJRUTSDTJGC-JTQLQIEISA-N 0 3 356.220 2.524 20 5 FFBDHN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000144838347 508841045 /nfs/dbraw/zinc/84/10/45/508841045.db2.gz HQVBYLSIAWHTOD-HZPDHXFCSA-N 0 3 363.458 2.990 20 5 FFBDHN CN(C)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000124570156 508852850 /nfs/dbraw/zinc/85/28/50/508852850.db2.gz OCGOVSIBJHOYJQ-QGZVFWFLSA-N 0 3 359.401 2.566 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000119749546 508855594 /nfs/dbraw/zinc/85/55/94/508855594.db2.gz MAABMHMPKPHZLZ-YJBOKZPZSA-N 0 3 353.422 2.774 20 5 FFBDHN CC(C)N(CCc1nccs1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000159763021 508887276 /nfs/dbraw/zinc/88/72/76/508887276.db2.gz LKPBFNSDQBWSIU-OAHLLOKOSA-N 0 3 365.455 2.744 20 5 FFBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H](CSc2ccccc2)C1 ZINC000159855819 508901862 /nfs/dbraw/zinc/90/18/62/508901862.db2.gz BDDREKZQTNJVLV-HNNXBMFYSA-N 0 3 359.451 2.871 20 5 FFBDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000132214029 509005482 /nfs/dbraw/zinc/00/54/82/509005482.db2.gz ZSIDSZQTBWXOLQ-INIZCTEOSA-N 0 3 373.478 2.976 20 5 FFBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H](c1ccco1)N(C)C ZINC000121019099 509111019 /nfs/dbraw/zinc/11/10/19/509111019.db2.gz BDMNDEUPVUELMS-CJNGLKHVSA-N 0 3 360.414 2.797 20 5 FFBDHN C[C@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@H](C)C1 ZINC000248003558 509214589 /nfs/dbraw/zinc/21/45/89/509214589.db2.gz OQDCHXWRUJVNLF-LSDHHAIUSA-N 0 3 371.441 2.631 20 5 FFBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NCC1(N2CCSCC2)CCCC1 ZINC000172791965 509237915 /nfs/dbraw/zinc/23/79/15/509237915.db2.gz ASPSOSFLHJGSFY-UHFFFAOYSA-N 0 3 363.483 2.615 20 5 FFBDHN COc1cccc(CN(CCN(C)C)C(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000191948536 509258477 /nfs/dbraw/zinc/25/84/77/509258477.db2.gz FHMQGEUFLORFDE-UHFFFAOYSA-N 0 3 371.437 2.736 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H](Nc2ccccc2)C1 ZINC000248454444 509329679 /nfs/dbraw/zinc/32/96/79/509329679.db2.gz KKHSEBDEYDQSSC-ZWKOTPCHSA-N 0 3 371.437 2.911 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000182636470 509344366 /nfs/dbraw/zinc/34/43/66/509344366.db2.gz YIAVXNTYVHNXKU-HNNXBMFYSA-N 0 3 361.442 2.535 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCN(C3CCOCC3)CC2)c(C(F)(F)F)c1 ZINC000267117031 509352490 /nfs/dbraw/zinc/35/24/90/509352490.db2.gz ZVDQUAMYDYWLKJ-UHFFFAOYSA-N 0 3 359.348 2.915 20 5 FFBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000173076838 509381375 /nfs/dbraw/zinc/38/13/75/509381375.db2.gz YAHSBLFIPXHWHH-GOSISDBHSA-N 0 3 353.422 2.918 20 5 FFBDHN Cc1c(CC(=O)NCc2ccccc2OCCN(C)C)cccc1[N+](=O)[O-] ZINC000163863118 509433667 /nfs/dbraw/zinc/43/36/67/509433667.db2.gz OIBYUKAHFNCOEW-UHFFFAOYSA-N 0 3 371.437 2.703 20 5 FFBDHN COc1cc(C(=O)N[C@H](Cc2ccccc2)CN(C)C)cc([N+](=O)[O-])c1C ZINC000189182774 509452229 /nfs/dbraw/zinc/45/22/29/509452229.db2.gz BTWVPMUGEKJPPL-QGZVFWFLSA-N 0 3 371.437 2.815 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H]2CCCc3c(O)cccc32)c1 ZINC000192364070 509483741 /nfs/dbraw/zinc/48/37/41/509483741.db2.gz CJZJLXINUOKCLN-KSSFIOAISA-N 0 3 358.394 2.707 20 5 FFBDHN O=C1CCCN1C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000179548208 509505377 /nfs/dbraw/zinc/50/53/77/509505377.db2.gz KWWVWGOTHRSFIL-IBGZPJMESA-N 0 3 369.421 2.927 20 5 FFBDHN O=C(CN1CC[C@@H](N2CCCCC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000264538485 509586127 /nfs/dbraw/zinc/58/61/27/509586127.db2.gz AHTFVHVDPNELPU-CQSZACIVSA-N 0 3 366.849 2.747 20 5 FFBDHN CCN(CC)CCC[C@H](C)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000189561907 509638134 /nfs/dbraw/zinc/63/81/34/509638134.db2.gz HAUYYAAUTNPNIG-ZDUSSCGKSA-N 0 3 357.476 2.921 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C[C@H](C)O)C1CCCCC1 ZINC000170691607 509724867 /nfs/dbraw/zinc/72/48/67/509724867.db2.gz VRPMPGWKKMKMPP-ZDUSSCGKSA-N 0 3 365.430 2.557 20 5 FFBDHN C[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCN1CC(C)(C)O ZINC000189884856 509809387 /nfs/dbraw/zinc/80/93/87/509809387.db2.gz RSHDFRWAJUWUHD-CQSZACIVSA-N 0 3 374.441 2.527 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)N2C(C)C ZINC000173846926 509814128 /nfs/dbraw/zinc/81/41/28/509814128.db2.gz FLFIPAZUHCIZTH-ZBFHGGJFSA-N 0 3 367.471 2.539 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000183585858 509873338 /nfs/dbraw/zinc/87/33/38/509873338.db2.gz GBURDIOQKXCHKJ-DZGCQCFKSA-N 0 3 355.398 2.774 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000193401301 509898517 /nfs/dbraw/zinc/89/85/17/509898517.db2.gz MOWKNNMWJMBFID-KRWDZBQOSA-N 0 3 372.425 2.706 20 5 FFBDHN C[C@H](CN1CCCCC1)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180389447 509899150 /nfs/dbraw/zinc/89/91/50/509899150.db2.gz USNZEWNCHKAVSF-LLVKDONJSA-N 0 3 357.357 2.800 20 5 FFBDHN CCc1cc(NCCN(C)CCOC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171070386 509923574 /nfs/dbraw/zinc/92/35/74/509923574.db2.gz ABVXQQXPWVRVAH-UHFFFAOYSA-N 0 3 359.430 2.604 20 5 FFBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000180487426 509951563 /nfs/dbraw/zinc/95/15/63/509951563.db2.gz LRKIEYBQTOLETB-OAHLLOKOSA-N 0 3 356.426 2.915 20 5 FFBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000265284415 509966672 /nfs/dbraw/zinc/96/66/72/509966672.db2.gz JFMLLZICXQPKNK-KGLIPLIRSA-N 0 3 351.472 2.876 20 5 FFBDHN CCN1CCCC[C@@H]1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177279586 509976300 /nfs/dbraw/zinc/97/63/00/509976300.db2.gz IAEYUEQUJBXOGC-GFCCVEGCSA-N 0 3 370.247 2.962 20 5 FFBDHN C[C@H]1CCCN(C(C)(C)CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000180901310 510172038 /nfs/dbraw/zinc/17/20/38/510172038.db2.gz WANDDPSJVCAKDR-LBPRGKRZSA-N 0 3 363.414 2.564 20 5 FFBDHN O=[N+]([O-])c1cnn(CCNC2(c3ccc4c(c3)OCCO4)CCCC2)c1 ZINC000174834453 510334178 /nfs/dbraw/zinc/33/41/78/510334178.db2.gz BSLSQPRESMHHSN-UHFFFAOYSA-N 0 3 358.398 2.622 20 5 FFBDHN CC(C)c1n[nH]c(C(=O)NC2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000269315720 510337455 /nfs/dbraw/zinc/33/74/55/510337455.db2.gz HFZWPGFOCCWJKL-UHFFFAOYSA-N 0 3 371.441 2.836 20 5 FFBDHN Cc1ccc([C@@H](C)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178001260 510369689 /nfs/dbraw/zinc/36/96/89/510369689.db2.gz FGUVHWKSAMMNNG-CQSZACIVSA-N 0 3 363.439 2.532 20 5 FFBDHN Cc1ccc([C@H](CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])N(C)C)cc1 ZINC000269390440 510379059 /nfs/dbraw/zinc/37/90/59/510379059.db2.gz LVRUUJVSBLZLDQ-AWEZNQCLSA-N 0 3 359.430 2.782 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC1CCN(C(C)(C)C)CC1 ZINC000175084389 510475278 /nfs/dbraw/zinc/47/52/78/510475278.db2.gz HIQGDGNKQSFGHV-UHFFFAOYSA-N 0 3 369.487 2.753 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(NCc2ccc(CN3CCC(O)CC3)cc2)n1 ZINC000178212446 510490419 /nfs/dbraw/zinc/49/04/19/510490419.db2.gz FTZHGJKSWKXZKU-UHFFFAOYSA-N 0 3 356.426 2.867 20 5 FFBDHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000266298928 510504335 /nfs/dbraw/zinc/50/43/35/510504335.db2.gz KNZKPXSRJATNRI-ZYHUDNBSSA-N 0 3 357.332 2.922 20 5 FFBDHN CCC[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000181682762 510537144 /nfs/dbraw/zinc/53/71/44/510537144.db2.gz MTPYENGVQAPQQU-BBRMVZONSA-N 0 3 354.357 2.561 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)CN1C1CC1 ZINC000184856909 510550286 /nfs/dbraw/zinc/55/02/86/510550286.db2.gz HUZIPDDPOCZUAB-UWVGGRQHSA-N 0 3 368.231 2.712 20 5 FFBDHN O=[N+]([O-])c1cc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c2c(c1)COCO2 ZINC000269994375 510633535 /nfs/dbraw/zinc/63/35/35/510633535.db2.gz PXOKYTYGFFDDKX-JQHSSLGASA-N 0 3 360.410 2.899 20 5 FFBDHN CC(C)[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc2c(c1)OCCO2 ZINC000181975333 510687050 /nfs/dbraw/zinc/68/70/50/510687050.db2.gz FZCKHDZMQAEJCB-LJQANCHMSA-N 0 3 373.409 2.515 20 5 FFBDHN O=C(CCN1CCN(C2CCCC2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000185177446 510730287 /nfs/dbraw/zinc/73/02/87/510730287.db2.gz CGEQXZIRBIOIPM-UHFFFAOYSA-N 0 3 364.421 2.623 20 5 FFBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000182071820 510741889 /nfs/dbraw/zinc/74/18/89/510741889.db2.gz HFKIGJYYMDJUPF-OAHLLOKOSA-N 0 3 357.410 2.610 20 5 FFBDHN CO[C@H](C)[C@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000191704541 510793942 /nfs/dbraw/zinc/79/39/42/510793942.db2.gz SHSZARIFKBHESJ-LPEHRKFASA-N 0 3 363.336 2.954 20 5 FFBDHN COc1cccc(NCc2cccc(C(=O)NCCN(C)C)c2)c1[N+](=O)[O-] ZINC000185341936 510814724 /nfs/dbraw/zinc/81/47/24/510814724.db2.gz XHTNVLLPWGERES-UHFFFAOYSA-N 0 3 372.425 2.507 20 5 FFBDHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000247110280 510837174 /nfs/dbraw/zinc/83/71/74/510837174.db2.gz DWXKROFEJHXYPI-PWSUYJOCSA-N 0 3 370.356 2.897 20 5 FFBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000182302779 510847024 /nfs/dbraw/zinc/84/70/24/510847024.db2.gz ZCZYFQOHMWAUEI-UHFFFAOYSA-N 0 3 357.366 2.946 20 5 FFBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)cc1OC ZINC000247496848 510863314 /nfs/dbraw/zinc/86/33/14/510863314.db2.gz UQPCNJFDTCBWLH-QWHCGFSZSA-N 0 3 365.430 2.557 20 5 FFBDHN CN(C)C1(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCC1 ZINC000275976219 510923862 /nfs/dbraw/zinc/92/38/62/510923862.db2.gz MBEMBHRVQRWDOB-UHFFFAOYSA-N 0 3 363.461 2.755 20 5 FFBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000270978095 511044675 /nfs/dbraw/zinc/04/46/75/511044675.db2.gz UYURQLMMENNALZ-CQSZACIVSA-N 0 3 371.441 2.583 20 5 FFBDHN O=[N+]([O-])c1ccc(Cl)c(CNC[C@H]2CCC3(CCOCC3)[C@H]2O)c1 ZINC000282647685 511059032 /nfs/dbraw/zinc/05/90/32/511059032.db2.gz HOGYQJHUUKEUAO-WBMJQRKESA-N 0 3 354.834 2.906 20 5 FFBDHN Cn1cc(CNC[C@H]2COC3(CCCC3)O2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000271397096 511190205 /nfs/dbraw/zinc/19/02/05/511190205.db2.gz HKNWRAKPJVRPBI-KRWDZBQOSA-N 0 3 372.425 2.771 20 5 FFBDHN COCCCOCCN(C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000271472906 511216525 /nfs/dbraw/zinc/21/65/25/511216525.db2.gz DCSWCRAVVHOUKU-UHFFFAOYSA-N 0 3 363.414 2.777 20 5 FFBDHN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CC(=O)N2C ZINC000271523698 511233321 /nfs/dbraw/zinc/23/33/21/511233321.db2.gz VIZMVBBBAIAQMQ-CYBMUJFWSA-N 0 3 355.394 2.843 20 5 FFBDHN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295081150 511275348 /nfs/dbraw/zinc/27/53/48/511275348.db2.gz IFTSOZQSFIEDBR-HKUYNNGSSA-N 0 3 357.410 2.760 20 5 FFBDHN CN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295101738 511282606 /nfs/dbraw/zinc/28/26/06/511282606.db2.gz KLNMESFNNVAIFN-HKUYNNGSSA-N 0 3 357.410 2.760 20 5 FFBDHN CC[C@@H](C)N1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000295285324 511348785 /nfs/dbraw/zinc/34/87/85/511348785.db2.gz BQGUPBMPQRIMOJ-GFCCVEGCSA-N 0 3 354.838 2.603 20 5 FFBDHN O=C(CCN1CCc2ccccc2[C@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000283457183 511373526 /nfs/dbraw/zinc/37/35/26/511373526.db2.gz YOMXRMLPRUVNOG-GOSISDBHSA-N 0 3 355.394 2.515 20 5 FFBDHN CN(C)CCN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283490174 511386612 /nfs/dbraw/zinc/38/66/12/511386612.db2.gz OBBLPIOMJMHFFZ-UHFFFAOYSA-N 0 3 360.389 2.520 20 5 FFBDHN C[C@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCN(C2CCC2)C1 ZINC000292077876 511456598 /nfs/dbraw/zinc/45/65/98/511456598.db2.gz DBMJHAIKDLJJRG-AWEZNQCLSA-N 0 3 371.441 2.951 20 5 FFBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000272201503 511463495 /nfs/dbraw/zinc/46/34/95/511463495.db2.gz PONACFVSSMXRIZ-AWEZNQCLSA-N 0 3 371.441 2.583 20 5 FFBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000272245943 511478990 /nfs/dbraw/zinc/47/89/90/511478990.db2.gz YHWHTTZTYLQTTB-LBPRGKRZSA-N 0 3 353.850 2.979 20 5 FFBDHN O=C(CCN1CCOC[C@@H](C2CCC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000292157526 511487305 /nfs/dbraw/zinc/48/73/05/511487305.db2.gz OFUIDWOUBKMORZ-AWEZNQCLSA-N 0 3 365.405 2.811 20 5 FFBDHN C[C@H](CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N(C)C1CC1 ZINC000280987834 511679135 /nfs/dbraw/zinc/67/91/35/511679135.db2.gz QCJBWLBTPUCELU-CYBMUJFWSA-N 0 3 354.410 2.869 20 5 FFBDHN C[C@@H](c1ccc(N)c([N+](=O)[O-])c1)N1C[C@H]2C[C@@H](C1)Cn1c2cccc1=O ZINC000296399725 511728311 /nfs/dbraw/zinc/72/83/11/511728311.db2.gz KKQHSWASCULCNG-KCQAQPDRSA-N 0 3 354.410 2.519 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCO[C@H](C(C)C)C1 ZINC000293336673 511928778 /nfs/dbraw/zinc/92/87/78/511928778.db2.gz YMCNZIDTIDEJKZ-KRWDZBQOSA-N 0 3 365.430 2.679 20 5 FFBDHN CCN1CC[C@H]2OCCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)[C@H]2C1 ZINC000293394086 511948232 /nfs/dbraw/zinc/94/82/32/511948232.db2.gz XJGJWNQOPYEODD-ZWKOTPCHSA-N 0 3 372.425 2.545 20 5 FFBDHN C[C@@H](N[C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293572194 512013801 /nfs/dbraw/zinc/01/38/01/512013801.db2.gz DNZYDBVAPGOGQC-IUODEOHRSA-N 0 3 354.410 2.913 20 5 FFBDHN CS[C@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000275129600 512050298 /nfs/dbraw/zinc/05/02/98/512050298.db2.gz OJYMBBLIDJMHHV-KGLIPLIRSA-N 0 3 369.874 2.900 20 5 FFBDHN C[C@H](N[C@H]1CCO[C@@H]1C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000373811852 512517873 /nfs/dbraw/zinc/51/78/73/512517873.db2.gz GGXKNUOBTARGRJ-ULKVUYOBSA-N 0 3 353.806 2.732 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCCC23CCN(C)CC3)c1 ZINC000374004347 512616594 /nfs/dbraw/zinc/61/65/94/512616594.db2.gz WZOAFTMZXRYWNK-UHFFFAOYSA-N 0 3 361.442 2.759 20 5 FFBDHN Cc1ccc(C2CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000370079356 512757031 /nfs/dbraw/zinc/75/70/31/512757031.db2.gz BVSJKUIMSHEVNA-IBGZPJMESA-N 0 3 371.437 2.918 20 5 FFBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CNC(C)(C)CN1CCOCC1 ZINC000411999013 512908367 /nfs/dbraw/zinc/90/83/67/512908367.db2.gz ARNFQSAUVSLBFU-UHFFFAOYSA-N 0 3 351.447 2.582 20 5 FFBDHN COC(=O)[C@@]1(c2ccccc2)CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000428773784 513187074 /nfs/dbraw/zinc/18/70/74/513187074.db2.gz RWPSTUDKABUTLM-FQEVSTJZSA-N 0 3 370.405 2.790 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](SC)[C@H](N(C)C)C1 ZINC000439885108 513203750 /nfs/dbraw/zinc/20/37/50/513203750.db2.gz BSPZMHPIFIVHFT-UKRRQHHQSA-N 0 3 368.459 2.503 20 5 FFBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000428997143 513246113 /nfs/dbraw/zinc/24/61/13/513246113.db2.gz RYVYKWQUXBKSLB-ATNYBXOESA-N 0 3 360.458 2.584 20 5 FFBDHN C[C@@H]1NCCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H]1C ZINC000418098474 513371594 /nfs/dbraw/zinc/37/15/94/513371594.db2.gz ZZGXHDCVNPQOLB-UWVGGRQHSA-N 0 3 360.336 2.505 20 5 FFBDHN CN(C[C@H]1CCCN1C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000421703971 513377199 /nfs/dbraw/zinc/37/71/99/513377199.db2.gz NQNIORNVKZKPPQ-CQSZACIVSA-N 0 3 360.439 2.885 20 5 FFBDHN CN(C[C@@H]1CCCN1C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000421709104 513380859 /nfs/dbraw/zinc/38/08/59/513380859.db2.gz CNOXTDNWQKVOHO-LBPRGKRZSA-N 0 3 356.220 2.524 20 5 FFBDHN CN1C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)[C@@H]2C1 ZINC000425067524 513399838 /nfs/dbraw/zinc/39/98/38/513399838.db2.gz RQDJRZFOFHEDEZ-IINYFYTJSA-N 0 3 357.332 2.780 20 5 FFBDHN Cn1ccnc1C(=O)c1ccc(NCCN2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000450952997 513422424 /nfs/dbraw/zinc/42/24/24/513422424.db2.gz WBYGZYXEGQXGNB-UHFFFAOYSA-N 0 3 371.441 2.846 20 5 FFBDHN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425272639 513486471 /nfs/dbraw/zinc/48/64/71/513486471.db2.gz HDQQUJFYRPGEMV-DLBZAZTESA-N 0 3 355.442 2.830 20 5 FFBDHN NC(=O)c1cc([N+](=O)[O-])cnc1S[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000425285112 513491322 /nfs/dbraw/zinc/49/13/22/513491322.db2.gz SAYUJTPBZIACGS-OAHLLOKOSA-N 0 3 372.450 2.845 20 5 FFBDHN NC(=O)Nc1ccc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447535691 513500687 /nfs/dbraw/zinc/50/06/87/513500687.db2.gz HTBVADQJVXVAMS-CABCVRRESA-N 0 3 358.402 2.555 20 5 FFBDHN CCCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccccc1OC ZINC000441289774 513531280 /nfs/dbraw/zinc/53/12/80/513531280.db2.gz VHFJHCXESKTZDD-HOCLYGCPSA-N 0 3 362.430 2.634 20 5 FFBDHN COC(=O)[C@@H]1CCCCC[C@@H]1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451228186 513609489 /nfs/dbraw/zinc/60/94/89/513609489.db2.gz HRPYFGOWQDIWRZ-WQVCFCJDSA-N 0 3 363.414 2.633 20 5 FFBDHN COc1ccc(OCCN2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000451339694 513685782 /nfs/dbraw/zinc/68/57/82/513685782.db2.gz IWEKXYVQTYSJTD-JZXOWHBKSA-N 0 3 364.442 2.998 20 5 FFBDHN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCC3(N(C)C)CC3)cc2[N+](=O)[O-])C1 ZINC000416292013 513693394 /nfs/dbraw/zinc/69/33/94/513693394.db2.gz PYPYUMKMIKPFGS-HUUCEWRRSA-N 0 3 374.485 2.901 20 5 FFBDHN CCCN1CCC(N(C)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000416394172 513749101 /nfs/dbraw/zinc/74/91/01/513749101.db2.gz UIQULELTXXZWST-UHFFFAOYSA-N 0 3 369.487 2.707 20 5 FFBDHN CN1CC[C@H](CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436068810 513750386 /nfs/dbraw/zinc/75/03/86/513750386.db2.gz QHOAGHWLCJTKBO-GFCCVEGCSA-N 0 3 353.397 2.502 20 5 FFBDHN CCOc1ccc(NC(=O)CN[C@@H]2C[C@@](C)(OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451484800 513780187 /nfs/dbraw/zinc/78/01/87/513780187.db2.gz HRPIUQAQLQYNEJ-CRAIPNDOSA-N 0 3 365.430 2.725 20 5 FFBDHN CC(C)O[C@H]1C[C@H](NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000451492169 513786123 /nfs/dbraw/zinc/78/61/23/513786123.db2.gz FRYXTFSLLUCKLG-IRXDYDNUSA-N 0 3 361.442 2.666 20 5 FFBDHN O=C(CN[C@H]([C@H](CO)C1CC1)C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451612795 513866143 /nfs/dbraw/zinc/86/61/43/513866143.db2.gz QGNJNCDXVRDMRP-DYVFJYSZSA-N 0 3 367.833 2.573 20 5 FFBDHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000436718674 513955301 /nfs/dbraw/zinc/95/53/01/513955301.db2.gz FRUGGDYHDVNSHA-QGZVFWFLSA-N 0 3 369.421 2.883 20 5 FFBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H](Cc1ccccc1)C(=O)N(C)C ZINC000449121172 514080221 /nfs/dbraw/zinc/08/02/21/514080221.db2.gz GHYYQLUAWMQHNZ-MAUKXSAKSA-N 0 3 355.438 2.815 20 5 FFBDHN O=[N+]([O-])c1cccc(CNC[C@H](CO)Cc2cc(F)c(F)c(F)c2)c1 ZINC000443991485 514094504 /nfs/dbraw/zinc/09/45/04/514094504.db2.gz VBLYSXWPSQCXOZ-CYBMUJFWSA-N 0 3 354.328 2.953 20 5 FFBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCCN(c2cccnc2)C1=O ZINC000449238207 514126531 /nfs/dbraw/zinc/12/65/31/514126531.db2.gz FQJUXRREQOIODC-PBHICJAKSA-N 0 3 354.410 2.706 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2noc(CN3CCNC[C@@H]3c3ccccc3)n2)cc1 ZINC000420399379 514131134 /nfs/dbraw/zinc/13/11/34/514131134.db2.gz HMXWSACKIOKEFE-QGZVFWFLSA-N 0 3 365.393 2.791 20 5 FFBDHN CCO[C@@H]1CCCC[C@H]1N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000452037139 514152983 /nfs/dbraw/zinc/15/29/83/514152983.db2.gz UHLGTNPWUQCIGP-SRCQZFHVSA-N 0 3 365.430 2.868 20 5 FFBDHN C[C@@H]1CN(C2CCN(c3ccnc4c3cccc4[N+](=O)[O-])CC2)CCO1 ZINC000432315797 514156668 /nfs/dbraw/zinc/15/66/68/514156668.db2.gz SKGMZRBYOBXFMB-CQSZACIVSA-N 0 3 356.426 2.833 20 5 FFBDHN C[C@@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000432329417 514161893 /nfs/dbraw/zinc/16/18/93/514161893.db2.gz PKWUHMNGNVGIBU-NVXWUHKLSA-N 0 3 369.469 2.605 20 5 FFBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](CO)c1ccc(F)cc1 ZINC000449380425 514187752 /nfs/dbraw/zinc/18/77/52/514187752.db2.gz MYKBKWUCEVSROG-YVEFUNNKSA-N 0 3 361.373 2.774 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437987921 514283224 /nfs/dbraw/zinc/28/32/24/514283224.db2.gz RMXSVURGFNEJAY-CXAGYDPISA-N 0 3 358.442 2.752 20 5 FFBDHN CCc1ccccc1[C@@H](N)CNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000423938605 514296586 /nfs/dbraw/zinc/29/65/86/514296586.db2.gz JPGFGLLTGGMWBC-HNNXBMFYSA-N 0 3 373.409 2.604 20 5 FFBDHN Cc1c(CC(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)cccc1[N+](=O)[O-] ZINC000424027745 514348117 /nfs/dbraw/zinc/34/81/17/514348117.db2.gz MWIIGQIYXGSHES-DOTOQJQBSA-N 0 3 357.385 2.538 20 5 FFBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](N)Cc2ccccc21 ZINC000424068909 514367429 /nfs/dbraw/zinc/36/74/29/514367429.db2.gz BFNIBMDBIIXZCS-GXTWGEPZSA-N 0 3 357.435 2.992 20 5 FFBDHN CC(C)C[C@@H](CN(C)C)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000428021765 514376887 /nfs/dbraw/zinc/37/68/87/514376887.db2.gz ONSSAWIYQGYYJS-AWEZNQCLSA-N 0 3 374.441 2.614 20 5 FFBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000479474417 514598920 /nfs/dbraw/zinc/59/89/20/514598920.db2.gz MRHXDBOZYWXODI-CYBMUJFWSA-N 0 3 351.472 2.876 20 5 FFBDHN CN(C)CCN(Cc1ccsc1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000458209320 514630835 /nfs/dbraw/zinc/63/08/35/514630835.db2.gz YIOVCCJDJVGXLS-UHFFFAOYSA-N 0 3 362.455 2.659 20 5 FFBDHN COc1cccc(NCCCN2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000475355668 514633244 /nfs/dbraw/zinc/63/32/44/514633244.db2.gz XACAAHHCCMQRIK-UHFFFAOYSA-N 0 3 371.441 2.623 20 5 FFBDHN CCN1CCN(CCNc2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000461775952 514732280 /nfs/dbraw/zinc/73/22/80/514732280.db2.gz AGRKYWDPBVXHAQ-UHFFFAOYSA-N 0 3 360.380 2.971 20 5 FFBDHN Cc1nc(N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000471058819 514736408 /nfs/dbraw/zinc/73/64/08/514736408.db2.gz GPHDLCKQNQTDLW-SJORKVTESA-N 0 3 356.426 2.593 20 5 FFBDHN CCCCN1CCCC[C@@H]1CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000502713892 514749856 /nfs/dbraw/zinc/74/98/56/514749856.db2.gz UBODHGIHWNEDSC-OAHLLOKOSA-N 0 3 369.487 2.836 20 5 FFBDHN CNC(=O)[C@H]1CCC[C@@H]1NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000498362952 514882181 /nfs/dbraw/zinc/88/21/81/514882181.db2.gz HQTRDXIFFJZDIR-HOCLYGCPSA-N 0 3 373.409 2.868 20 5 FFBDHN C[C@@H]1CN(CC2CCN(c3ccc([N+](=O)[O-])c(N)c3F)CC2)C[C@@H](C)O1 ZINC000476095115 514914306 /nfs/dbraw/zinc/91/43/06/514914306.db2.gz JWTHNKSJKXOCEH-CHWSQXEVSA-N 0 3 366.437 2.642 20 5 FFBDHN C[C@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)C1=CCN(C)CC1 ZINC000467218880 514943792 /nfs/dbraw/zinc/94/37/92/514943792.db2.gz RFUHTSLNJAMYJP-NSHDSACASA-N 0 3 352.822 2.698 20 5 FFBDHN COc1c(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000476310136 514994035 /nfs/dbraw/zinc/99/40/35/514994035.db2.gz UKMBMLZRWHSLAG-GDBMZVCRSA-N 0 3 369.421 2.996 20 5 FFBDHN CCN1CCN(c2ccc(CN[C@@H](C)c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000480731674 515061007 /nfs/dbraw/zinc/06/10/07/515061007.db2.gz QPOCWKCKKNNETQ-INIZCTEOSA-N 0 3 369.469 2.983 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H](C)C2CCN(C)CC2)c1C ZINC000498879573 515100507 /nfs/dbraw/zinc/10/05/07/515100507.db2.gz GLARBXILOHUKAT-CQSZACIVSA-N 0 3 369.487 2.562 20 5 FFBDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000458894523 515179091 /nfs/dbraw/zinc/17/90/91/515179091.db2.gz ZDFXFLVKOYHYAR-HNNXBMFYSA-N 0 3 371.441 2.824 20 5 FFBDHN CCc1cc(N[C@@H]2CCN(C)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000462885091 515282556 /nfs/dbraw/zinc/28/25/56/515282556.db2.gz TWJLISKVLYLTLJ-XJKSGUPXSA-N 0 3 355.442 2.931 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN(Cc2ccccc2Cl)CC2CC2)c1 ZINC000510224781 515473902 /nfs/dbraw/zinc/47/39/02/515473902.db2.gz VKVCBJBVTVQNTG-INIZCTEOSA-N 0 3 364.833 2.718 20 5 FFBDHN COc1ccccc1[C@@H]1CC[C@H](C)CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000510258616 515487053 /nfs/dbraw/zinc/48/70/53/515487053.db2.gz ZXOFNIBEKBOKLL-LESCRADOSA-N 0 3 374.441 2.634 20 5 FFBDHN C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[C@H](c1ccccc1)N(C)C ZINC000505604926 515606407 /nfs/dbraw/zinc/60/64/07/515606407.db2.gz GOJNJDBVDWWGMY-APPDUMDISA-N 0 3 360.389 2.737 20 5 FFBDHN Cc1cc(C)c(S(=O)(=O)N[C@@H]2CCN(C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000493341247 515623411 /nfs/dbraw/zinc/62/34/11/515623411.db2.gz YMXHYWZVWQMXOL-CQSZACIVSA-N 0 3 367.471 2.507 20 5 FFBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000473945954 515813861 /nfs/dbraw/zinc/81/38/61/515813861.db2.gz FYIKZJWUZUGXCU-UHFFFAOYSA-N 0 3 369.487 2.708 20 5 FFBDHN COC(=O)COc1ccc(CNC/C=C\c2ccccc2)cc1[N+](=O)[O-] ZINC000473991260 515834610 /nfs/dbraw/zinc/83/46/10/515834610.db2.gz YKYOVIHTMYBUEG-YVMONPNESA-N 0 3 356.378 2.950 20 5 FFBDHN CN1C[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000478533689 515861221 /nfs/dbraw/zinc/86/12/21/515861221.db2.gz GKIMNYZCISDFSD-SJLPKXTDSA-N 0 3 368.437 2.611 20 5 FFBDHN CCOc1ccc([C@@H](C)NCCN2CCO[C@H](CC)C2)cc1[N+](=O)[O-] ZINC000494511710 515866483 /nfs/dbraw/zinc/86/64/83/515866483.db2.gz HMPFRBGQIJAAIA-GDBMZVCRSA-N 0 3 351.447 2.755 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCN1C ZINC000501087495 515973488 /nfs/dbraw/zinc/97/34/88/515973488.db2.gz UQWQGTDFMDRWST-MWLCHTKSSA-N 0 3 371.235 2.962 20 5 FFBDHN C[C@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(C)C1CC1 ZINC000494877566 515994243 /nfs/dbraw/zinc/99/42/43/515994243.db2.gz IFRCMLQRDKFDHS-SNVBAGLBSA-N 0 3 374.363 2.896 20 5 FFBDHN CN(C)CCN(Cc1cccs1)c1nc2sccn2c1[N+](=O)[O-] ZINC000470037145 516088619 /nfs/dbraw/zinc/08/86/19/516088619.db2.gz XPUMBERDVIFSPM-UHFFFAOYSA-N 0 3 351.457 2.934 20 5 FFBDHN CCCN(CCN(CC)CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000460929972 516285416 /nfs/dbraw/zinc/28/54/16/516285416.db2.gz XBRHIDUKFOVQQC-UHFFFAOYSA-N 0 3 357.476 2.646 20 5 FFBDHN COc1cc(CNCCc2c[nH]c3ncccc23)c([N+](=O)[O-])cc1OC ZINC000557843737 516465178 /nfs/dbraw/zinc/46/51/78/516465178.db2.gz FKEJHJQRCACHLF-UHFFFAOYSA-N 0 3 356.382 2.821 20 5 FFBDHN C[C@@H](O)CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000554544976 516500261 /nfs/dbraw/zinc/50/02/61/516500261.db2.gz XXHUPJMVKXXFRI-OAHLLOKOSA-N 0 3 357.410 2.806 20 5 FFBDHN COc1cc(CN[C@H](C)C[C@H](C)O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000543949788 516511636 /nfs/dbraw/zinc/51/16/36/516511636.db2.gz XMWNZJHRURTWKK-ZJUUUORDSA-N 0 3 366.336 2.794 20 5 FFBDHN Cc1c(Br)c(N(C)C[C@H]2CCCN(C)C2)ncc1[N+](=O)[O-] ZINC000554847937 516661850 /nfs/dbraw/zinc/66/18/50/516661850.db2.gz CGUDGVQAYBAVLQ-NSHDSACASA-N 0 3 357.252 2.839 20 5 FFBDHN Cc1ccc([C@@H](C)N[C@@H](CC(C)C)C(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000540744600 516693402 /nfs/dbraw/zinc/69/34/02/516693402.db2.gz NQELAKKGDWDMDV-WBVHZDCISA-N 0 3 364.490 2.646 20 5 FFBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@@H](C)C1 ZINC000561749736 516746828 /nfs/dbraw/zinc/74/68/28/516746828.db2.gz ZARHAHARDYIDOX-DEYYWGMASA-N 0 3 368.437 2.945 20 5 FFBDHN C[C@H]1CCN(CCNC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000524721344 516802290 /nfs/dbraw/zinc/80/22/90/516802290.db2.gz QPSOOTMGPGGGCO-CVEARBPZSA-N 0 3 374.485 2.903 20 5 FFBDHN O=[N+]([O-])c1ccn(CCN[C@H](c2cncc(Br)c2)C2CC2)n1 ZINC000551721023 516840436 /nfs/dbraw/zinc/84/04/36/516840436.db2.gz YSTFWNQSFRDMIX-AWEZNQCLSA-N 0 3 366.219 2.690 20 5 FFBDHN Cn1c(C(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000525040929 516900436 /nfs/dbraw/zinc/90/04/36/516900436.db2.gz VIQGSLLLMHTHOU-MLGOLLRUSA-N 0 3 362.455 2.808 20 5 FFBDHN C[C@H](CCNS(=O)(=O)c1ccccc1)NCc1csc([N+](=O)[O-])c1 ZINC000558791338 516945688 /nfs/dbraw/zinc/94/56/88/516945688.db2.gz RSBIHKWVSZNLLE-GFCCVEGCSA-N 0 3 369.468 2.503 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000541314435 516982578 /nfs/dbraw/zinc/98/25/78/516982578.db2.gz FNWUOFVLXCSKGH-KBPBESRZSA-N 0 3 364.446 2.666 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CCN(CC)[C@H](C)C1 ZINC000525385638 517024231 /nfs/dbraw/zinc/02/42/31/517024231.db2.gz FCQCQYPGIBKAQG-UKRRQHHQSA-N 0 3 369.487 2.651 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000525544409 517071723 /nfs/dbraw/zinc/07/17/23/517071723.db2.gz BZUZIZVFVOFGNC-SGMGOOAPSA-N 0 3 369.849 2.957 20 5 FFBDHN COC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC000541592896 517127078 /nfs/dbraw/zinc/12/70/78/517127078.db2.gz HQDBIVUWVDKFMS-ZDUSSCGKSA-N 0 3 374.235 2.556 20 5 FFBDHN Cc1cccc2c1OC[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000519763568 517170845 /nfs/dbraw/zinc/17/08/45/517170845.db2.gz GJBBWCLZPUZPLV-OAHLLOKOSA-N 0 3 355.394 2.825 20 5 FFBDHN CCCN1CCC(CNS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)CC1 ZINC000541823597 517234057 /nfs/dbraw/zinc/23/40/57/517234057.db2.gz ZVBRAMRTLDWETP-UHFFFAOYSA-N 0 3 369.487 2.612 20 5 FFBDHN CNc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)cc1[N+](=O)[O-] ZINC000520060984 517266252 /nfs/dbraw/zinc/26/62/52/517266252.db2.gz OFSMMJHZPCVPQI-GOSISDBHSA-N 0 3 356.426 2.978 20 5 FFBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000520058906 517267631 /nfs/dbraw/zinc/26/76/31/517267631.db2.gz NBHGCPFDAMNIAN-INIZCTEOSA-N 0 3 356.426 2.718 20 5 FFBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000548979762 517336881 /nfs/dbraw/zinc/33/68/81/517336881.db2.gz ZHCIBCYBDLGGHL-SFHVURJKSA-N 0 3 370.453 2.964 20 5 FFBDHN CCN(C(=O)c1c[nH]nc1[N+](=O)[O-])[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000549217823 517462104 /nfs/dbraw/zinc/46/21/04/517462104.db2.gz AAYSCILHEKFKBO-HIFRSBDPSA-N 0 3 357.414 2.616 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC[C@H](C)N1CCCCC1 ZINC000542323408 517504137 /nfs/dbraw/zinc/50/41/37/517504137.db2.gz VFEKVBTVDCHGCI-HNNXBMFYSA-N 0 3 369.487 2.754 20 5 FFBDHN CCCC[C@H](C)[C@H](C)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000515909231 517508486 /nfs/dbraw/zinc/50/84/86/517508486.db2.gz LEFDGXAKFBDHTJ-KBPBESRZSA-N 0 3 357.476 2.678 20 5 FFBDHN Cc1ccc([C@H](C)NC[C@@H](O)COc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000538277653 517536687 /nfs/dbraw/zinc/53/66/87/517536687.db2.gz WSRRWRFYNKVHRX-DZGCQCFKSA-N 0 3 374.393 2.722 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](C)[C@@H]1COc2ccccc21 ZINC000542626208 517658133 /nfs/dbraw/zinc/65/81/33/517658133.db2.gz LDCGCEGGHAMQJW-ZFWWWQNUSA-N 0 3 355.394 2.996 20 5 FFBDHN CC(C)Oc1ccc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000549800552 517714636 /nfs/dbraw/zinc/71/46/36/517714636.db2.gz RBLZDCLXCHNNGT-KRWDZBQOSA-N 0 3 360.410 2.912 20 5 FFBDHN C[C@H]1CCCCN1CCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000556874434 517720157 /nfs/dbraw/zinc/72/01/57/517720157.db2.gz JUNQNMJRQSMPFS-YJBOKZPZSA-N 0 3 357.458 2.882 20 5 FFBDHN CCCN(CCN1CCCCC1)C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000553486810 517740781 /nfs/dbraw/zinc/74/07/81/517740781.db2.gz YKZLWJHOWKPHNI-UHFFFAOYSA-N 0 3 365.478 2.523 20 5 FFBDHN C[C@H]1C[C@H]1N1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000553785599 517903346 /nfs/dbraw/zinc/90/33/46/517903346.db2.gz GXIBDXRTQQWTOC-SUNYJGFJSA-N 0 3 372.469 2.971 20 5 FFBDHN CCN(CCN1CCCCCC1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000553924841 517973652 /nfs/dbraw/zinc/97/36/52/517973652.db2.gz WVMIZDHWSBAXIB-UHFFFAOYSA-N 0 3 374.485 2.682 20 5 FFBDHN O=C(CCN1CCC(Nc2ccccn2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000534862888 518063329 /nfs/dbraw/zinc/06/33/29/518063329.db2.gz QKFYDFGEZLKQRK-UHFFFAOYSA-N 0 3 369.425 2.895 20 5 FFBDHN CCCN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccc(Cl)cc1 ZINC000560968029 518101489 /nfs/dbraw/zinc/10/14/89/518101489.db2.gz ADBTUKDNICDSRF-CQSZACIVSA-N 0 3 365.821 2.784 20 5 FFBDHN CN(C)[C@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)Cc1ccccc1 ZINC000534983389 518106559 /nfs/dbraw/zinc/10/65/59/518106559.db2.gz QRIHOFIIPUSWIT-HNNXBMFYSA-N 0 3 366.421 2.979 20 5 FFBDHN Cc1cccc(O[C@H](C)CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000569687584 518241143 /nfs/dbraw/zinc/24/11/43/518241143.db2.gz XYDGLHTXEFVQTM-HZPDHXFCSA-N 0 3 360.410 2.700 20 5 FFBDHN CO[C@H](CNCCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000569803792 518301179 /nfs/dbraw/zinc/30/11/79/518301179.db2.gz DEXXRDXFGOPMCP-INIZCTEOSA-N 0 3 357.410 2.771 20 5 FFBDHN Cc1cc(NC[C@H]2CCC3(CCOCC3)[C@@H]2O)c2cc([N+](=O)[O-])ccc2n1 ZINC000575884595 518329532 /nfs/dbraw/zinc/32/95/32/518329532.db2.gz LUTFQMPMCDAJAE-AUUYWEPGSA-N 0 3 371.437 2.853 20 5 FFBDHN CN1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC12CCCCC2 ZINC000584538669 518389305 /nfs/dbraw/zinc/38/93/05/518389305.db2.gz XJCUOWROEDXMIN-SFHVURJKSA-N 0 3 372.469 2.650 20 5 FFBDHN CCOCCCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000564417218 518440829 /nfs/dbraw/zinc/44/08/29/518440829.db2.gz QTYKLCSYIXYTOA-UHFFFAOYSA-N 0 3 364.183 2.716 20 5 FFBDHN CC(=O)c1ccc(OC[C@@H](O)CNCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000576221134 518487935 /nfs/dbraw/zinc/48/79/35/518487935.db2.gz XPBLCZQLPDUCAK-KRWDZBQOSA-N 0 3 358.394 2.635 20 5 FFBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000581894485 518490474 /nfs/dbraw/zinc/49/04/74/518490474.db2.gz VBEIHIKPVRPOFO-WBMJQRKESA-N 0 3 358.419 2.743 20 5 FFBDHN Cc1ccccc1O[C@H](C)CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000576272463 518512006 /nfs/dbraw/zinc/51/20/06/518512006.db2.gz YWFVUDXSSRSZSJ-WBVHZDCISA-N 0 3 360.410 2.700 20 5 FFBDHN CN(C(=O)CN1CCN(C)C2(CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000582070408 518576207 /nfs/dbraw/zinc/57/62/07/518576207.db2.gz IUPOMLCMZRDCCV-UHFFFAOYSA-N 0 3 360.458 2.508 20 5 FFBDHN O=C(CCN1CCNC[C@H]1c1cccc(F)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000564729673 518585915 /nfs/dbraw/zinc/58/59/15/518585915.db2.gz RQRNPWXDRWIDFR-SFHVURJKSA-N 0 3 372.400 2.709 20 5 FFBDHN CC(C)C[C@@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000582137957 518605799 /nfs/dbraw/zinc/60/57/99/518605799.db2.gz NDABLOJDKGMBLD-ZWKOTPCHSA-N 0 3 359.474 2.984 20 5 FFBDHN Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C)CN(C)C(C)C)cc1[N+](=O)[O-] ZINC000573367455 518632173 /nfs/dbraw/zinc/63/21/73/518632173.db2.gz AIDPMGGDDJGDAL-JTQLQIEISA-N 0 3 363.867 2.564 20 5 FFBDHN CCOc1cc(C)ccc1CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567683495 518652845 /nfs/dbraw/zinc/65/28/45/518652845.db2.gz OXODDEJWBPYCQZ-INIZCTEOSA-N 0 3 360.410 2.831 20 5 FFBDHN C[C@@H]1[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000588771270 518825623 /nfs/dbraw/zinc/82/56/23/518825623.db2.gz QSRVJIABOBWDMP-BEFAXECRSA-N 0 3 353.422 2.917 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000588771278 518825929 /nfs/dbraw/zinc/82/59/29/518825929.db2.gz QVYRHTPJOAYVRA-KDOFPFPSSA-N 0 3 369.421 2.996 20 5 FFBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@H](O)COc1ccc(F)c(F)c1 ZINC000565219529 518849363 /nfs/dbraw/zinc/84/93/63/518849363.db2.gz YEEDBQMZKFESBH-GTNSWQLSSA-N 0 3 364.348 2.890 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000565389715 518928515 /nfs/dbraw/zinc/92/85/15/518928515.db2.gz ALIWVOPKTJMAON-PXNSSMCTSA-N 0 3 368.437 2.877 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CN(CCN(C)C)C[C@@H]1CCCO1 ZINC000589196061 518947588 /nfs/dbraw/zinc/94/75/88/518947588.db2.gz BOTPLZCQEFIYRV-KRWDZBQOSA-N 0 3 351.447 2.536 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000582840729 518947967 /nfs/dbraw/zinc/94/79/67/518947967.db2.gz IXXBSVNZDHXMMF-AHRSYUTCSA-N 0 3 372.421 2.844 20 5 FFBDHN Cc1ccc(NC(=O)NCc2ccncc2OCCN(C)C)cc1[N+](=O)[O-] ZINC000568322401 518979313 /nfs/dbraw/zinc/97/93/13/518979313.db2.gz VPCCRUKUYRJALQ-UHFFFAOYSA-N 0 3 373.413 2.560 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@@]1(CO)C[C@H]1c1ccccc1)OCCO2 ZINC000589325087 518981214 /nfs/dbraw/zinc/98/12/14/518981214.db2.gz LDTMJKQUXJJEQW-OXJNMPFZSA-N 0 3 370.405 2.622 20 5 FFBDHN CSc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)N(C)C)cc1 ZINC000580239179 519074922 /nfs/dbraw/zinc/07/49/22/519074922.db2.gz ACBBJYVVDNSWHG-INIZCTEOSA-N 0 3 360.439 2.744 20 5 FFBDHN CCOc1cc(CN[C@@H]2CCCC[C@H]2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000574512857 519189887 /nfs/dbraw/zinc/18/98/87/519189887.db2.gz NYAVZEGJECASQI-IAGOWNOFSA-N 0 3 363.458 2.727 20 5 FFBDHN C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@@H]4CN(C)C[C@@H]43)cc2[N+](=O)[O-])C1 ZINC000590447604 519236046 /nfs/dbraw/zinc/23/60/46/519236046.db2.gz ZLQTZWLYMKXIPQ-OGWOLHLISA-N 0 3 372.469 2.607 20 5 FFBDHN Cc1c(CNC(=O)N2CCc3ccccc3[C@@H]2CN)cccc1[N+](=O)[O-] ZINC000566191637 519362313 /nfs/dbraw/zinc/36/23/13/519362313.db2.gz QZZLETVIEBSJJT-SFHVURJKSA-N 0 3 354.410 2.671 20 5 FFBDHN O=C(CCN1CC2(CCC2)[C@@H]1[C@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000583722168 519397493 /nfs/dbraw/zinc/39/74/93/519397493.db2.gz KUVKKBOEOORSRA-AEFFLSMTSA-N 0 3 359.426 2.957 20 5 FFBDHN CN(C)CCN(Cc1ccsc1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000590920105 519433216 /nfs/dbraw/zinc/43/32/16/519433216.db2.gz BNKRZCBCSHHFDW-UHFFFAOYSA-N 0 3 362.455 2.930 20 5 FFBDHN CC(C)Oc1cc(C(=O)N2CCN(c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000591011800 519474417 /nfs/dbraw/zinc/47/44/17/519474417.db2.gz FHCBACRIBYKKJX-UHFFFAOYSA-N 0 3 370.409 2.739 20 5 FFBDHN O=[N+]([O-])c1cnc(N2CCCN(C[C@H]3CCCO3)CC2)c(C(F)(F)F)c1 ZINC000591138782 519527312 /nfs/dbraw/zinc/52/73/12/519527312.db2.gz RPWZYPJMPUPHBZ-CYBMUJFWSA-N 0 3 374.363 2.700 20 5 FFBDHN CSc1ccc(C(=O)NC[C@@H]2NCCc3ccccc32)cc1[N+](=O)[O-] ZINC000584047802 519565965 /nfs/dbraw/zinc/56/59/65/519565965.db2.gz CTZQLVOVPQNPTN-HNNXBMFYSA-N 0 3 357.435 2.934 20 5 FFBDHN CCC(C)(C)N1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000594389498 519934532 /nfs/dbraw/zinc/93/45/32/519934532.db2.gz KMHWTIJMGFANQJ-UHFFFAOYSA-N 0 3 372.425 2.795 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594515082 520010591 /nfs/dbraw/zinc/01/05/91/520010591.db2.gz QARPSMMTPNMJAC-KFWWJZLASA-N 0 3 351.447 2.581 20 5 FFBDHN CN(C)CCOc1cnccc1CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594518384 520012566 /nfs/dbraw/zinc/01/25/66/520012566.db2.gz HDGRNVIBPJZPFA-KRWDZBQOSA-N 0 3 356.426 2.707 20 5 FFBDHN C[C@H](CNC[C@@H](O)COc1ccccc1[N+](=O)[O-])Oc1ccc(F)cc1 ZINC000591744980 520018996 /nfs/dbraw/zinc/01/89/96/520018996.db2.gz YHMMUJCVXGDVFH-UKRRQHHQSA-N 0 3 364.373 2.531 20 5 FFBDHN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCCN(c2ccncc2)CC1 ZINC000603084547 520070114 /nfs/dbraw/zinc/07/01/14/520070114.db2.gz SJYJJNXGGNDRJB-UHFFFAOYSA-N 0 3 365.393 2.824 20 5 FFBDHN COc1ccc(OCCN2CC3(C[C@H]2C)CCOCC3)c([N+](=O)[O-])c1 ZINC000592181532 520248967 /nfs/dbraw/zinc/24/89/67/520248967.db2.gz HHSHWOMVIVNISV-CQSZACIVSA-N 0 3 350.415 2.873 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC3(CC=CC3)[C@H]2c2ccccc2)c1 ZINC000592188899 520253921 /nfs/dbraw/zinc/25/39/21/520253921.db2.gz UWPQXAWUOYXXKM-ZWKOTPCHSA-N 0 3 354.410 2.546 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CCO[C@H](c2nccn2C)C1 ZINC000595051253 520269546 /nfs/dbraw/zinc/26/95/46/520269546.db2.gz MNEUVBNEFGHJTQ-DCGLDWPTSA-N 0 3 360.414 2.908 20 5 FFBDHN O=C(NC[C@H]1CCN1C1CCCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000600472230 520278278 /nfs/dbraw/zinc/27/82/78/520278278.db2.gz NJTCQVRCHYNDJU-GOSISDBHSA-N 0 3 369.425 2.527 20 5 FFBDHN CC(C)(C)N1CC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000597856803 520284879 /nfs/dbraw/zinc/28/48/79/520284879.db2.gz AJQKETSZHIJBRW-ZDUSSCGKSA-N 0 3 372.425 2.511 20 5 FFBDHN CN(C)C(=O)CCN1CCC(Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000609449053 520316222 /nfs/dbraw/zinc/31/62/22/520316222.db2.gz OIJGCMWWKJGKCE-UHFFFAOYSA-N 0 3 354.838 2.603 20 5 FFBDHN C[C@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCCC[C@H]1C ZINC000603743031 520352318 /nfs/dbraw/zinc/35/23/18/520352318.db2.gz RHYXEHMYWZMXIX-HUUCEWRRSA-N 0 3 371.441 2.773 20 5 FFBDHN CCOc1ccc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)cc1[N+](=O)[O-] ZINC000595259215 520377534 /nfs/dbraw/zinc/37/75/34/520377534.db2.gz YYHXZXIRKBXFFU-SFHVURJKSA-N 0 3 371.393 2.907 20 5 FFBDHN CCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H]1CCN(CC)C1 ZINC000598040183 520389391 /nfs/dbraw/zinc/38/93/91/520389391.db2.gz DKBRTWDPAMMACX-MRXNPFEDSA-N 0 3 360.458 2.751 20 5 FFBDHN Cc1n[nH]c(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000609996197 520500249 /nfs/dbraw/zinc/50/02/49/520500249.db2.gz XPVFFKARRNVCCO-XJKSGUPXSA-N 0 3 371.441 2.751 20 5 FFBDHN Cc1[nH]nc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000609996197 520500256 /nfs/dbraw/zinc/50/02/56/520500256.db2.gz XPVFFKARRNVCCO-XJKSGUPXSA-N 0 3 371.441 2.751 20 5 FFBDHN CN(CCc1ccc([N+](=O)[O-])cc1)CCN1CCN(c2ccccc2)CC1 ZINC000610004154 520502712 /nfs/dbraw/zinc/50/27/12/520502712.db2.gz AMJBXCIAPBUKPR-UHFFFAOYSA-N 0 3 368.481 2.891 20 5 FFBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000598266546 520529389 /nfs/dbraw/zinc/52/93/89/520529389.db2.gz ZEORXMKZYQADIQ-OAHLLOKOSA-N 0 3 371.441 2.631 20 5 FFBDHN COC[C@H](CCO)NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000610089947 520535307 /nfs/dbraw/zinc/53/53/07/520535307.db2.gz GHUFNIUPIIUNRC-INIZCTEOSA-N 0 3 359.426 2.850 20 5 FFBDHN CCCN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)C1 ZINC000598343879 520565912 /nfs/dbraw/zinc/56/59/12/520565912.db2.gz XMQVTSSIYHXORA-ZDUSSCGKSA-N 0 3 367.471 2.547 20 5 FFBDHN CCCN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)C1 ZINC000598343878 520566511 /nfs/dbraw/zinc/56/65/11/520566511.db2.gz XMQVTSSIYHXORA-CYBMUJFWSA-N 0 3 367.471 2.547 20 5 FFBDHN CN(C)CCOc1ccccc1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601022663 520601030 /nfs/dbraw/zinc/60/10/30/520601030.db2.gz OWEXXLBOUZTUTI-UHFFFAOYSA-N 0 3 361.373 2.604 20 5 FFBDHN CCCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000592833218 520608719 /nfs/dbraw/zinc/60/87/19/520608719.db2.gz WRSXGMPYCOWGCC-OCCSQVGLSA-N 0 3 369.849 2.958 20 5 FFBDHN CC1(C)C[C@H](N(CCn2cc([N+](=O)[O-])ccc2=O)Cc2ccccc2)CO1 ZINC000595639373 520615393 /nfs/dbraw/zinc/61/53/93/520615393.db2.gz WVMHJUFSGUUXHT-SFHVURJKSA-N 0 3 371.437 2.826 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)c1 ZINC000610298513 520627839 /nfs/dbraw/zinc/62/78/39/520627839.db2.gz WYDHZXGSHSQAEN-MRXNPFEDSA-N 0 3 369.421 2.950 20 5 FFBDHN COc1ccc(NC(=O)CN[C@@H]2Cc3ccccc3[C@@H]2C)c([N+](=O)[O-])c1 ZINC000595705238 520662218 /nfs/dbraw/zinc/66/22/18/520662218.db2.gz FFJMPVLBVCXZHG-YVEFUNNKSA-N 0 3 355.394 2.860 20 5 FFBDHN C[C@H]1c2ccccc2C[C@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595708530 520666300 /nfs/dbraw/zinc/66/63/00/520666300.db2.gz SWRXWJBQNCJOBK-SCLBCKFNSA-N 0 3 351.406 2.802 20 5 FFBDHN O=[N+]([O-])c1ccc2nccc(N3CCC[C@H](N4CCOCC4)CC3)c2c1 ZINC000601188978 520678998 /nfs/dbraw/zinc/67/89/98/520678998.db2.gz DJGZZTOEQYNVQN-HNNXBMFYSA-N 0 3 356.426 2.834 20 5 FFBDHN CC[C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)N1 ZINC000598536763 520687025 /nfs/dbraw/zinc/68/70/25/520687025.db2.gz WDVMCNCNRDNSBB-DMDPSCGWSA-N 0 3 355.822 2.614 20 5 FFBDHN COc1ccc(CN(C)C)cc1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593027654 520692290 /nfs/dbraw/zinc/69/22/90/520692290.db2.gz XSVJGFPDRRWPME-UHFFFAOYSA-N 0 3 361.373 2.985 20 5 FFBDHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1Nc1cnn(C2CCN(C)CC2)c1 ZINC000601227808 520699180 /nfs/dbraw/zinc/69/91/80/520699180.db2.gz WKRUWJXUNGUOLW-UHFFFAOYSA-N 0 3 373.339 2.554 20 5 FFBDHN C[C@H](N[C@@H]1CCC[C@@H]1Cc1cnn(C)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595768717 520711562 /nfs/dbraw/zinc/71/15/62/520711562.db2.gz GOZVLGWCLQZWLG-NUEKZKHPSA-N 0 3 371.441 2.656 20 5 FFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000598612513 520741951 /nfs/dbraw/zinc/74/19/51/520741951.db2.gz QABNONDTEPFOBP-ZFWWWQNUSA-N 0 3 369.487 2.562 20 5 FFBDHN COC(=O)c1ccnc(N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000598613959 520744448 /nfs/dbraw/zinc/74/44/48/520744448.db2.gz ZYUOWPVQFKBJDM-ZFWWWQNUSA-N 0 3 370.409 2.851 20 5 FFBDHN CN(C)C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000610761869 520833027 /nfs/dbraw/zinc/83/30/27/520833027.db2.gz IPEFOFDEFUDZBJ-OAHLLOKOSA-N 0 3 359.357 2.703 20 5 FFBDHN Cc1cc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000598829584 520864517 /nfs/dbraw/zinc/86/45/17/520864517.db2.gz ZKWHYDPFLJXOIT-NWDGAFQWSA-N 0 3 362.304 2.826 20 5 FFBDHN Cc1cccc(N2CCN(CCCNc3cc[nH]c(=O)c3[N+](=O)[O-])CC2)c1 ZINC000596075042 520895319 /nfs/dbraw/zinc/89/53/19/520895319.db2.gz XMSNNKUQWYTKSA-UHFFFAOYSA-N 0 3 371.441 2.628 20 5 FFBDHN C[C@H](c1ccccc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596088646 520906108 /nfs/dbraw/zinc/90/61/08/520906108.db2.gz MUMLGSQUTRKNOV-CJNGLKHVSA-N 0 3 354.410 2.941 20 5 FFBDHN COc1cc(N2CCC(OCCN(C)C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596122691 520924892 /nfs/dbraw/zinc/92/48/92/520924892.db2.gz AWCLOBBOCMEUCF-UHFFFAOYSA-N 0 3 357.838 2.804 20 5 FFBDHN Cc1c(CC(=O)Nc2cnn(C3CCN(C)CC3)c2)cccc1[N+](=O)[O-] ZINC000601772119 520944286 /nfs/dbraw/zinc/94/42/86/520944286.db2.gz IRQKHEJGBIKHPW-UHFFFAOYSA-N 0 3 357.414 2.548 20 5 FFBDHN CN1CCC(n2cc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000601779407 520947758 /nfs/dbraw/zinc/94/77/58/520947758.db2.gz RKGNTTLFLMIGPJ-UHFFFAOYSA-N 0 3 371.441 2.974 20 5 FFBDHN COC(=O)c1c(Cl)c(N2CC[C@]3(CCN(C)C3)C2)ccc1[N+](=O)[O-] ZINC000596242777 520989575 /nfs/dbraw/zinc/98/95/75/520989575.db2.gz YLDSKDXIOFCMCU-INIZCTEOSA-N 0 3 353.806 2.567 20 5 FFBDHN Cn1ncc(C(F)(F)F)c1CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000599061838 521006532 /nfs/dbraw/zinc/00/65/32/521006532.db2.gz SJTORSDGOPTBLM-NEPJUHHUSA-N 0 3 372.351 2.817 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(CN2CCC(O)CC2)cc1 ZINC000611197562 521034280 /nfs/dbraw/zinc/03/42/80/521034280.db2.gz NRKKYXQKVOOUCY-UHFFFAOYSA-N 0 3 370.409 2.507 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CN1CC[C@H]3[C@H](CCCN3C3CC3)C1)OCCO2 ZINC000611287364 521081536 /nfs/dbraw/zinc/08/15/36/521081536.db2.gz ZUDJVJXEWWGKGD-PBHICJAKSA-N 0 3 373.453 2.815 20 5 FFBDHN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCN(CC2CC2)C1 ZINC000611512579 521194643 /nfs/dbraw/zinc/19/46/43/521194643.db2.gz HYBCRFQEDNDHCB-OAHLLOKOSA-N 0 3 366.849 2.574 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CCC(N3CCN(C(C)C)CC3)CC2)n1 ZINC000611617406 521250057 /nfs/dbraw/zinc/25/00/57/521250057.db2.gz NHQYSYSVBOCPCE-UHFFFAOYSA-N 0 3 361.490 2.601 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N(C)CCN2CCCCC2)cc1SC ZINC000593882435 521270931 /nfs/dbraw/zinc/27/09/31/521270931.db2.gz HALQOTZOLFWAQM-UHFFFAOYSA-N 0 3 367.471 2.883 20 5 FFBDHN O=[N+]([O-])c1cnn(CCN[C@H](CCO)c2cc(Cl)cc(Cl)c2)c1 ZINC000599667079 521379532 /nfs/dbraw/zinc/37/95/32/521379532.db2.gz PTSHFHOEGRXHDP-CQSZACIVSA-N 0 3 359.213 2.811 20 5 FFBDHN NC(=O)[C@H]1CCC[C@H](NCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602552027 521407608 /nfs/dbraw/zinc/40/76/08/521407608.db2.gz RLYIHNZSERODOG-YUMQZZPRSA-N 0 3 362.249 2.553 20 5 FFBDHN NC(=O)[C@@H]1CCC[C@@H](NCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602552022 521407825 /nfs/dbraw/zinc/40/78/25/521407825.db2.gz RLYIHNZSERODOG-HTQZYQBOSA-N 0 3 362.249 2.553 20 5 FFBDHN COC(=O)C1C[C@@H](C)N(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000599699197 521411321 /nfs/dbraw/zinc/41/13/21/521411321.db2.gz XMDZMAASSCNRJG-CHWSQXEVSA-N 0 3 363.414 2.585 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602568318 521415532 /nfs/dbraw/zinc/41/55/32/521415532.db2.gz JPKZCOGVYAIJRH-PELKAZGASA-N 0 3 360.277 2.991 20 5 FFBDHN Cn1nc(C(=O)OC(C)(C)C)cc1CNCCc1cccc([N+](=O)[O-])c1 ZINC000602581626 521423196 /nfs/dbraw/zinc/42/31/96/521423196.db2.gz XHIBOFNLXZXGGD-UHFFFAOYSA-N 0 3 360.414 2.616 20 5 FFBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000594198652 521463950 /nfs/dbraw/zinc/46/39/50/521463950.db2.gz UIHDLABNHTWJSU-OLZOCXBDSA-N 0 3 369.368 2.943 20 5 FFBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594198142 521464231 /nfs/dbraw/zinc/46/42/31/521464231.db2.gz SJRNZFFUGYKQCH-JKSUJKDBSA-N 0 3 351.834 2.924 20 5 FFBDHN CCOC(=O)[C@]1(C)CCC[C@H]1NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000597236199 521589637 /nfs/dbraw/zinc/58/96/37/521589637.db2.gz PBVUKDUFVIIZCY-SJLPKXTDSA-N 0 3 364.398 2.578 20 5 FFBDHN CC(C)N1CCCC[C@@H]1CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000619863435 521909916 /nfs/dbraw/zinc/90/99/16/521909916.db2.gz FUDKKTIACPVLER-APWZRJJASA-N 0 3 374.441 2.625 20 5 FFBDHN O=[N+]([O-])c1cccc(C[NH2+]CCSCc2ccccc2-c2nn[n-]n2)c1 ZINC000738367305 598361471 /nfs/dbraw/zinc/36/14/71/598361471.db2.gz QERMZSIRJQNNKZ-UHFFFAOYSA-N 0 3 370.438 2.798 20 5 FFBDHN C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[N@H+](C)Cc1ccccc1 ZINC000736026169 598676424 /nfs/dbraw/zinc/67/64/24/598676424.db2.gz LUMBTWZFWKPCGL-ZDUSSCGKSA-N 0 3 367.413 2.707 20 5 FFBDHN C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[N@@H+](C)Cc1ccccc1 ZINC000736026169 598676425 /nfs/dbraw/zinc/67/64/25/598676425.db2.gz LUMBTWZFWKPCGL-ZDUSSCGKSA-N 0 3 367.413 2.707 20 5 FFBDHN C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[N@H+](C)Cc1ccccc1 ZINC000736026169 598676426 /nfs/dbraw/zinc/67/64/26/598676426.db2.gz LUMBTWZFWKPCGL-ZDUSSCGKSA-N 0 3 367.413 2.707 20 5 FFBDHN C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[N@@H+](C)Cc1ccccc1 ZINC000736026169 598676428 /nfs/dbraw/zinc/67/64/28/598676428.db2.gz LUMBTWZFWKPCGL-ZDUSSCGKSA-N 0 3 367.413 2.707 20 5 FFBDHN C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824598729 608484586 /nfs/dbraw/zinc/48/45/86/608484586.db2.gz HXZSDXIYDCWUDF-GFCCVEGCSA-N 0 3 354.370 2.505 20 5 FFBDHN C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824598729 608484587 /nfs/dbraw/zinc/48/45/87/608484587.db2.gz HXZSDXIYDCWUDF-GFCCVEGCSA-N 0 3 354.370 2.505 20 5 FFBDHN CN(CCN1CCCC1)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000159107561 728900992 /nfs/dbraw/zinc/90/09/92/728900992.db2.gz VBNJIBHFXPBLKA-UHFFFAOYSA-N 0 3 356.220 2.525 20 5 FFBDHN C[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000152106589 728747991 /nfs/dbraw/zinc/74/79/91/728747991.db2.gz SERIEVZGQQGRQP-CQSZACIVSA-N 0 3 369.487 2.525 20 5 FFBDHN CO[C@@H]1CN(C)[C@](C)(COC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000861352741 730603356 /nfs/dbraw/zinc/60/33/56/730603356.db2.gz KBLBWDUJCDIMMU-UGSOOPFHSA-N 0 3 350.415 2.525 20 5 FFBDHN CCN(CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)C(C)C ZINC000780856250 738582014 /nfs/dbraw/zinc/58/20/14/738582014.db2.gz NUSMMKVTWKKMCS-UHFFFAOYSA-N 0 3 363.867 2.565 20 5 FFBDHN Cc1csc([C@@H]2CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)n1 ZINC000880008765 732818886 /nfs/dbraw/zinc/81/88/86/732818886.db2.gz HDKAYOSQULOXOA-ZIAGYGMSSA-N 0 3 363.439 2.589 20 5 FFBDHN O=C(Cc1cccc(F)c1)NCCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783585075 738817147 /nfs/dbraw/zinc/81/71/47/738817147.db2.gz OOVNFKAALJHDCL-UHFFFAOYSA-N 0 3 365.792 2.836 20 5 FFBDHN COc1c([O-])ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)c1[N+](=O)[O-] ZINC000893277498 734679169 /nfs/dbraw/zinc/67/91/69/734679169.db2.gz YZAHZECLQDDSIR-GMXABZIVSA-N 0 3 356.469 2.778 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)ccc1CNC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000894277776 734829443 /nfs/dbraw/zinc/82/94/43/734829443.db2.gz MSPWVOJSUFPDHX-CZUORRHYSA-N 0 3 354.834 2.906 20 5 FFBDHN NC(=O)[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1c1ccccc1 ZINC000895005885 734950816 /nfs/dbraw/zinc/95/08/16/734950816.db2.gz BKVJAVGQUWABEQ-LSDHHAIUSA-N 0 3 359.813 2.949 20 5 FFBDHN COc1c([O-])ccc(C[NH2+]CC[C@@H]2CC[C@@H](C(F)(F)F)O2)c1[N+](=O)[O-] ZINC000896810516 735184360 /nfs/dbraw/zinc/18/43/60/735184360.db2.gz VWBPGUSJUGRXDG-JQWIXIFHSA-N 0 3 364.320 2.899 20 5 FFBDHN COc1c(O)ccc(CNC[C@@H]2CCC[C@@H](C(F)(F)F)O2)c1[N+](=O)[O-] ZINC000896822163 735184913 /nfs/dbraw/zinc/18/49/13/735184913.db2.gz HSDCYCRGDBDMFC-JQWIXIFHSA-N 0 3 364.320 2.899 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)NCCN2CCC[C@@H]2C)cc1SC ZINC000742241196 735214209 /nfs/dbraw/zinc/21/42/09/735214209.db2.gz XTGOBQIQTWRCCI-NSHDSACASA-N 0 3 353.444 2.539 20 5 FFBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCCNc2ncccn2)c1 ZINC000751506205 735888367 /nfs/dbraw/zinc/88/83/67/735888367.db2.gz JPPUMBDBTIODBG-UHFFFAOYSA-N 0 3 353.329 2.578 20 5 FFBDHN C[C@@H](Cc1cccc(F)c1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000757676560 736418804 /nfs/dbraw/zinc/41/88/04/736418804.db2.gz URDZDYJBOOPZKH-ZDUSSCGKSA-N 0 3 366.414 2.728 20 5 FFBDHN C[C@H]1[C@@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCN1C ZINC000922226258 738108211 /nfs/dbraw/zinc/10/82/11/738108211.db2.gz USWXYTVQZPSAJK-ZANVPECISA-N 0 3 360.336 2.505 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CNCCc1nc3c(s1)CCC3)OCCO2 ZINC000922718373 738191248 /nfs/dbraw/zinc/19/12/48/738191248.db2.gz UDGXRJRGBXBFNB-UHFFFAOYSA-N 0 3 361.423 2.644 20 5 FFBDHN COC(=O)c1cnc([C@@H]2CCN(CCc3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000932662933 739486906 /nfs/dbraw/zinc/48/69/06/739486906.db2.gz KYLRIKWGLMENRU-CYBMUJFWSA-N 0 3 361.423 2.870 20 5 FFBDHN CCOC(=O)C1([C@@H](C)NCc2ccc(F)cc2[N+](=O)[O-])CCOCC1 ZINC000933879405 739700138 /nfs/dbraw/zinc/70/01/38/739700138.db2.gz DPLFMYVEVYHKCG-GFCCVEGCSA-N 0 3 354.378 2.572 20 5 FFBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCOC12CCOCC2 ZINC000934407293 739783159 /nfs/dbraw/zinc/78/31/59/739783159.db2.gz ZRPXQRJOHVIWND-QGZVFWFLSA-N 0 3 350.415 2.810 20 5 FFBDHN CC(COC(=O)COc1ccc(Br)cc1Cl)[N+](=O)[O-] ZINC000813103522 741677399 /nfs/dbraw/zinc/67/73/99/741677399.db2.gz CSUYYVURUDOHSK-SSDOTTSWSA-N 0 3 352.568 2.690 20 5 FFBDHN CCCc1nc(C(=O)OCC(C)[N+](=O)[O-])nn1-c1ccccc1Cl ZINC000813106198 741677458 /nfs/dbraw/zinc/67/74/58/741677458.db2.gz AHQGMPPGBHMXLE-JTQLQIEISA-N 0 3 352.778 2.695 20 5 FFBDHN CC(COC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2)[N+](=O)[O-] ZINC000813107171 741678025 /nfs/dbraw/zinc/67/80/25/741678025.db2.gz LJRBFWFUTUGGGS-LLVKDONJSA-N 0 3 350.371 2.759 20 5 FFBDHN CC(COC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813112743 741678540 /nfs/dbraw/zinc/67/85/40/741678540.db2.gz KHCMNYHGURLWEO-GFCCVEGCSA-N 0 3 351.359 2.653 20 5 FFBDHN CC([C@@H](OC(=O)c1ncn(C(C)(C)C)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845878625 748342807 /nfs/dbraw/zinc/34/28/07/748342807.db2.gz HNENZVXQMFVQDD-ZWNOBZJWSA-N 0 3 350.350 2.736 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCC[S@](=O)CC(F)(F)F)CCC2 ZINC000850497556 749376059 /nfs/dbraw/zinc/37/60/59/749376059.db2.gz VIBHSLIYJMMYMC-ZLOXQWCVSA-N 0 3 350.362 2.873 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000134883641 960091880 /nfs/dbraw/zinc/09/18/80/960091880.db2.gz LOJGNWBUKQNTKH-MAUKXSAKSA-N 0 3 353.422 2.917 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)n1 ZINC001267590856 969689645 /nfs/dbraw/zinc/68/96/45/969689645.db2.gz LGSSUGDVDBNSHU-SCLBCKFNSA-N 0 3 354.410 2.549 20 5 FFBDHN CN(C[C@@H]1CC=CCC1)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000784014745 980497789 /nfs/dbraw/zinc/49/77/89/980497789.db2.gz NSZWZVNQDJVIBY-CQSZACIVSA-N 0 3 358.398 2.609 20 5 FFBDHN Cc1cc(F)cc(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000151753877 986843913 /nfs/dbraw/zinc/84/39/13/986843913.db2.gz QQENBAVBCRWJEO-KBPBESRZSA-N 0 3 367.421 2.662 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000879057628 1015343766 /nfs/dbraw/zinc/34/37/66/1015343766.db2.gz RCRCHXKVLDIGFP-MRXNPFEDSA-N 0 3 357.414 2.525 20 5 FFBDHN COc1ccc(-c2ccc(CNC[C@H]3C[C@@H]4COC[C@@H]4O3)o2)c([N+](=O)[O-])c1 ZINC000922726193 988846504 /nfs/dbraw/zinc/84/65/04/988846504.db2.gz SJZJKCJIDWHXQT-PEELUZDISA-N 0 3 374.393 2.757 20 5 FFBDHN O=C(CNC1([C@@H]2CCCCO2)CCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000879735446 1015659039 /nfs/dbraw/zinc/65/90/39/1015659039.db2.gz WNNGUFCKCFXMGF-KRWDZBQOSA-N 0 3 359.426 2.565 20 5 FFBDHN Cc1nn(-c2ccccc2)c(C)c1[C@H]1OCC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813114511 995625359 /nfs/dbraw/zinc/62/53/59/995625359.db2.gz SEVJUFUYTLFSBK-PUECVXPYSA-N 0 3 373.409 2.775 20 5 FFBDHN CC(C)(C)N1CC[C@@H]1COC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000845727351 998639737 /nfs/dbraw/zinc/63/97/37/998639737.db2.gz BJMWGHRZLSVBPG-CQSZACIVSA-N 0 3 358.398 2.810 20 5 FFBDHN CC([C@@H](OC(=O)[C@H]1Cc2ccccc2C(=O)O1)c1ccccc1F)[N+](=O)[O-] ZINC000845872665 998676028 /nfs/dbraw/zinc/67/60/28/998676028.db2.gz LJMZOSYZSQQZKQ-SSKCKEOISA-N 0 3 373.336 2.857 20 5 FFBDHN CC([C@@H](OC(=O)[C@H](C)NC(=O)c1ccccc1)c1ccccc1F)[N+](=O)[O-] ZINC000845873503 998677019 /nfs/dbraw/zinc/67/70/19/998677019.db2.gz UXIXPSOZUXCZBE-GDZNZVCISA-N 0 3 374.368 2.894 20 5 FFBDHN O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000733158792 998900944 /nfs/dbraw/zinc/90/09/44/998900944.db2.gz QYZBONUGWKJYDT-INIZCTEOSA-N 0 3 373.409 2.714 20 5 FFBDHN N=C(COc1cccc(F)c1)NOCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789590025 1002127917 /nfs/dbraw/zinc/12/79/17/1002127917.db2.gz GDKYZWUWHPIDTM-UHFFFAOYSA-N 0 3 364.289 2.720 20 5 FFBDHN CC1CCC(N2CCN(c3cc(F)c([N+](=O)[O-])cc3CO)CC2)CC1 ZINC001185386906 1002929248 /nfs/dbraw/zinc/92/92/48/1002929248.db2.gz KJDILTZEQADKHF-UHFFFAOYSA-N 0 3 351.422 2.927 20 5 FFBDHN COc1ccc(C[C@H](C)NCc2ccnc(OCC3CC3)n2)c([N+](=O)[O-])c1 ZINC001170324162 1003112273 /nfs/dbraw/zinc/11/22/73/1003112273.db2.gz PHPAPWGSNXETAK-ZDUSSCGKSA-N 0 3 372.425 2.903 20 5 FFBDHN COc1ccc(C[C@@H](C)N(C)CCNC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170329754 1003115819 /nfs/dbraw/zinc/11/58/19/1003115819.db2.gz TWBJSLPLYGXOLT-CYBMUJFWSA-N 0 3 367.446 2.991 20 5 FFBDHN COc1ccc(C[C@@H](C)N2CCC[C@@]3(CCCC(=O)N3)C2)c([N+](=O)[O-])c1 ZINC001170341084 1003130273 /nfs/dbraw/zinc/13/02/73/1003130273.db2.gz NEEDQVBKEIKCFU-KUHUBIRLSA-N 0 3 361.442 2.669 20 5 FFBDHN O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)C1CCN(C2CC2)CC1 ZINC000805923520 1004189997 /nfs/dbraw/zinc/18/99/97/1004189997.db2.gz KTPUTYJEOBALEH-SFHVURJKSA-N 0 3 359.426 2.591 20 5 FFBDHN COCC[C@H](CNCc1cccc([N+](=O)[O-])c1C)NC(=O)OC(C)(C)C ZINC001201989538 1005297662 /nfs/dbraw/zinc/29/76/62/1005297662.db2.gz PIRDYLDIUXZVDO-OAHLLOKOSA-N 0 3 367.446 2.923 20 5 FFBDHN O=[N+]([O-])c1ccc(NCC2CCN(Cc3ccncc3)CC2)c2nonc21 ZINC000853810909 1006542417 /nfs/dbraw/zinc/54/24/17/1006542417.db2.gz MUEMWQXUARLLAO-UHFFFAOYSA-N 0 3 368.397 2.850 20 5 FFBDHN COc1cc(Cc2noc(C[C@@H]3NCc4ccccc43)n2)ccc1[N+](=O)[O-] ZINC000854142625 1006704147 /nfs/dbraw/zinc/70/41/47/1006704147.db2.gz UPZUGVNGERRWIS-HNNXBMFYSA-N 0 3 366.377 2.964 20 5 FFBDHN O=C(Nc1cccc([N+](=O)[O-])c1)[C@]1(O)CCCN(Cc2ccccc2)C1 ZINC001135504711 1006982281 /nfs/dbraw/zinc/98/22/81/1006982281.db2.gz QQLKHHDBBSJTOW-IBGZPJMESA-N 0 3 355.394 2.560 20 5 FFBDHN O=C1N(CN2CCC[C@@H]2C2CCOCC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000776768839 1007059488 /nfs/dbraw/zinc/05/94/88/1007059488.db2.gz NWOXVJUMCMEHMB-MRXNPFEDSA-N 0 3 374.441 2.685 20 5 FFBDHN O=[N+]([O-])c1cn(CN2CCC[C@@H]2C2CCOCC2)nc1-c1ccncc1 ZINC000776769745 1007059861 /nfs/dbraw/zinc/05/98/61/1007059861.db2.gz HREKCMHVWDZTGZ-MRXNPFEDSA-N 0 3 357.414 2.702 20 5 FFBDHN CN(CCN1CC2(C1)CCOCC2)c1ncc([N+](=O)[O-])c2ccccc21 ZINC000884574623 1007481812 /nfs/dbraw/zinc/48/18/12/1007481812.db2.gz PLPJGZZGVXXRPP-UHFFFAOYSA-N 0 3 356.426 2.692 20 5 FFBDHN COc1ccc(COC(=O)C2CCCN(C(C)(C)C)C2=O)cc1[N+](=O)[O-] ZINC000885478719 1007725661 /nfs/dbraw/zinc/72/56/61/1007725661.db2.gz SUQCTVOYVQFXMP-CYBMUJFWSA-N 0 3 364.398 2.684 20 5 FFBDHN COc1ccc(COC(=O)C2CCCN(C(C)(C)C)C2=O)cc1[N+](=O)[O-] ZINC000885478720 1007726087 /nfs/dbraw/zinc/72/60/87/1007726087.db2.gz SUQCTVOYVQFXMP-ZDUSSCGKSA-N 0 3 364.398 2.684 20 5 FFBDHN O=C1[C@@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCN1C1CCCCC1 ZINC000819254863 1008071823 /nfs/dbraw/zinc/07/18/23/1008071823.db2.gz TZMRERJTJRIEJX-ZWKOTPCHSA-N 0 3 361.442 2.542 20 5 FFBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859222808 1008489576 /nfs/dbraw/zinc/48/95/76/1008489576.db2.gz MZHDIKIADOQORM-KRWDZBQOSA-N 0 3 371.437 2.931 20 5 FFBDHN COc1cc(C[NH2+]CCCN(C)C(=O)OC(C)(C)C)c([N+](=O)[O-])cc1[O-] ZINC001177718599 1008726518 /nfs/dbraw/zinc/72/65/18/1008726518.db2.gz DIHNQLMEIVBAMC-UHFFFAOYSA-N 0 3 369.418 2.656 20 5 FFBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1cc(=O)n2ccccc2n1 ZINC001179060516 1009237455 /nfs/dbraw/zinc/23/74/55/1009237455.db2.gz QIJJFQCHODUYEK-NTEUORMPSA-N 0 3 350.378 2.796 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823962323 1009281098 /nfs/dbraw/zinc/28/10/98/1009281098.db2.gz RLVWQKSMMFTGQX-CXAGYDPISA-N 0 3 369.425 2.819 20 5 FFBDHN CN(CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)[C@H]1CCC(C)(C)C1 ZINC000794683251 1010469749 /nfs/dbraw/zinc/46/97/49/1010469749.db2.gz CQYDBBZIQYTKJW-HNNXBMFYSA-N 0 3 360.414 2.831 20 5 FFBDHN CN(CCN1CC2(C1)CCOCC2)c1nccc2c1cccc2[N+](=O)[O-] ZINC000866258060 1010963735 /nfs/dbraw/zinc/96/37/35/1010963735.db2.gz MLMQPZHXXONTFZ-UHFFFAOYSA-N 0 3 356.426 2.692 20 5 FFBDHN C[C@@H](NC1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)c1cnccn1 ZINC001173006897 1012177073 /nfs/dbraw/zinc/17/70/73/1012177073.db2.gz CLKJWWVEMLOKFN-LLVKDONJSA-N 0 3 363.368 2.983 20 5 FFBDHN Cc1c(C(=O)NC[C@H](C)N2CCCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000748715313 1017564567 /nfs/dbraw/zinc/56/45/67/1017564567.db2.gz XJWYRPLNAKYPMY-NSHDSACASA-N 0 3 364.402 2.724 20 5 FFBDHN Cc1cccc(CN(CCN(C)C)C(=O)c2cc([N+](=O)[O-])c(F)cc2N)c1 ZINC000801874125 1019472461 /nfs/dbraw/zinc/47/24/61/1019472461.db2.gz JZNCBHHLWLOSNA-UHFFFAOYSA-N 0 3 374.416 2.829 20 5 FFBDHN CC1CCC(N(C)CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000726585764 1020488648 /nfs/dbraw/zinc/48/86/48/1020488648.db2.gz NFMHJZFXCYPLFS-UHFFFAOYSA-N 0 3 360.414 2.831 20 5 FFBDHN COc1cc([C@@H](C)NCCN2C[C@H]3CCCCN3C2=O)cc([N+](=O)[O-])c1 ZINC000903204870 1020737295 /nfs/dbraw/zinc/73/72/95/1020737295.db2.gz XJLJLVFYICHYSC-UKRRQHHQSA-N 0 3 362.430 2.544 20 5 FFBDHN COc1cc([C@@H](C)NC[C@@]2(c3cnn(C)c3)CCCO2)cc([N+](=O)[O-])c1 ZINC000903359891 1020803985 /nfs/dbraw/zinc/80/39/85/1020803985.db2.gz UCJFHJABBLCRJE-FZKQIMNGSA-N 0 3 360.414 2.693 20 5 FFBDHN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@@H](C)CN1CCCCC1 ZINC000749269503 1020910904 /nfs/dbraw/zinc/91/09/04/1020910904.db2.gz WFZNFELEVLMBBN-NSHDSACASA-N 0 3 366.374 2.576 20 5 FFBDHN CNC(=O)c1ccc(CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000750031789 1021247065 /nfs/dbraw/zinc/24/70/65/1021247065.db2.gz CANWMLSVTCFUEY-IBGZPJMESA-N 0 3 369.421 2.652 20 5 FFBDHN CCCN(C(=O)c1c[nH]nc1[N+](=O)[O-])C1CCN(Cc2ccccc2)CC1 ZINC001119919223 1023160341 /nfs/dbraw/zinc/16/03/41/1023160341.db2.gz FUKAZXBLIRXPPN-UHFFFAOYSA-N 0 3 371.441 2.835 20 5 FFBDHN COC1CCC(N(C)CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CC1 ZINC000752790691 1023205410 /nfs/dbraw/zinc/20/54/10/1023205410.db2.gz AMUHJSDJQHKXAD-UHFFFAOYSA-N 0 3 362.430 2.684 20 5 FFBDHN CC(COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21)[N+](=O)[O-] ZINC001123042495 1023607652 /nfs/dbraw/zinc/60/76/52/1023607652.db2.gz NDDNAGIUEGEZEG-YPMHNXCESA-N 0 3 350.371 2.734 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000757790929 1023859734 /nfs/dbraw/zinc/85/97/34/1023859734.db2.gz SVCVSRODCJIYGX-NOZJJQNGSA-N 0 3 370.356 2.800 20 5 FFBDHN CC[C@@H](C)N1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2Cc2ccccc2)CC1 ZINC001122074067 1024319230 /nfs/dbraw/zinc/31/92/30/1024319230.db2.gz XWXOIICKMUSYAS-HZPDHXFCSA-N 0 3 372.473 2.585 20 5 FFBDHN Cc1c([N+](=O)[O-])cc(C(=O)N(CCN(C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000081551940 1024853489 /nfs/dbraw/zinc/85/34/89/1024853489.db2.gz DRFSHLMKMQPFBR-UHFFFAOYSA-N 0 3 364.402 2.758 20 5 FFBDHN CC(C)c1[n-]nc(C(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000837700107 1025971208 /nfs/dbraw/zinc/97/12/08/1025971208.db2.gz RTUCJJKDNLRVHW-CQSZACIVSA-N 0 3 358.398 2.873 20 5 FFBDHN CC(C)c1[n-]nc(C(=O)O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000837700107 1025971213 /nfs/dbraw/zinc/97/12/13/1025971213.db2.gz RTUCJJKDNLRVHW-CQSZACIVSA-N 0 3 358.398 2.873 20 5 FFBDHN CCN1CCCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)[C@@H](C)C1 ZINC001141860918 1027058639 /nfs/dbraw/zinc/05/86/39/1027058639.db2.gz LMBUIVQOXJQCES-ZDUSSCGKSA-N 0 3 356.426 2.887 20 5 FFBDHN C[C@@H](N)c1nc2ccccc2n1-c1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1 ZINC001155257847 1028647180 /nfs/dbraw/zinc/64/71/80/1028647180.db2.gz KKLANBACULYBMP-IDVQTMNDSA-N 0 3 352.398 2.881 20 5 FFBDHN O=C(Nc1cccnc1N[C@H]1CN2CCC1CC2)c1ccccc1[N+](=O)[O-] ZINC001163380916 1028911841 /nfs/dbraw/zinc/91/18/41/1028911841.db2.gz IKRNLAWGAXRXQD-INIZCTEOSA-N 0 3 367.409 2.748 20 5 FFBDHN Cc1c(Cl)nc(-c2ccc([N+](=O)[O-])cc2)nc1N[C@H]1CN2CCC1CC2 ZINC001163388255 1028912755 /nfs/dbraw/zinc/91/27/55/1028912755.db2.gz RHLDGBLQBWGFEM-HNNXBMFYSA-N 0 3 373.844 2.942 20 5 FFBDHN C[C@@]1(CO)C[C@H](O)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000888092492 1029618405 /nfs/dbraw/zinc/61/84/05/1029618405.db2.gz XFOCXZYYRGKCKJ-SJCJKPOMSA-N 0 3 366.801 2.826 20 5 FFBDHN O=C1N(CN2CCC[C@H]2[C@H]2CCCOC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000842620100 1030832958 /nfs/dbraw/zinc/83/29/58/1030832958.db2.gz YRTATGJDMZCBII-HOTGVXAUSA-N 0 3 374.441 2.685 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](c1nc(-c3ccc4c(n3)CCNC4)no1)N=N2 ZINC001204998959 1031484602 /nfs/dbraw/zinc/48/46/02/1031484602.db2.gz PIWPNNGQHUXCND-OAHLLOKOSA-N 0 3 363.337 2.872 20 5 FFBDHN O=[N+]([O-])c1ccc(CO[C@H]2CC[C@H](N3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC001224098051 1033714766 /nfs/dbraw/zinc/71/47/66/1033714766.db2.gz ZIYWJWCAGMQBAO-KOMQPUFPSA-N 0 3 365.386 2.663 20 5 FFBDHN Cc1cc([O-])c(I)c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001225510000 1034283170 /nfs/dbraw/zinc/28/31/70/1034283170.db2.gz BGNMQUQPGBBXQW-SNVBAGLBSA-O 0 3 350.220 2.779 20 5 FFBDHN COCCN1CCC(Oc2nc(C)c([N+](=O)[O-])cc2Br)CC1 ZINC001228624098 1036212816 /nfs/dbraw/zinc/21/28/16/1036212816.db2.gz WJRAWGOECIHQJU-UHFFFAOYSA-N 0 3 374.235 2.550 20 5 FFBDHN COc1cc(CC[N+](=O)[O-])ccc1O[C@H]1CC[C@@H](N2CCOCC2)CC1 ZINC001233984948 1036856854 /nfs/dbraw/zinc/85/68/54/1036856854.db2.gz RHWBUZARNDLGGJ-CALCHBBNSA-N 0 3 364.442 2.537 20 5 FFBDHN COc1cc(O[C@@H](C)CN(C)C)c2c(c1)oc1ccc(OC)c(O)c1c2=O ZINC001230525603 1037302470 /nfs/dbraw/zinc/30/24/70/1037302470.db2.gz HOUHHYFBSRJGNH-NSHDSACASA-N 0 3 373.405 2.998 20 5 FFBDHN CCN1CCN(c2ccc(Nc3cnc(OC)c([N+](=O)[O-])c3)cc2)CC1 ZINC001210138448 1039402038 /nfs/dbraw/zinc/40/20/38/1039402038.db2.gz SCMNLMZQRUNGJE-UHFFFAOYSA-N 0 3 357.414 2.884 20 5 FFBDHN C[C@@H](c1nc(-c2ccc3c(n2)CCNC3)no1)c1ccc([N+](=O)[O-])cc1 ZINC001247604187 1039826761 /nfs/dbraw/zinc/82/67/61/1039826761.db2.gz OZMQKPKLKYBMTG-LLVKDONJSA-N 0 3 351.366 2.837 20 5 FFBDHN O=[N+]([O-])c1ccc(F)c(F)c1Cc1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001249290624 1040668403 /nfs/dbraw/zinc/66/84/03/1040668403.db2.gz ZHMOBCIEMSZPET-UHFFFAOYSA-N 0 3 373.319 2.555 20 5 FFBDHN COc1cc(C)nc(O[C@@H]2CCN([C@@H](C)Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC001254568509 1040804869 /nfs/dbraw/zinc/80/48/69/1040804869.db2.gz GKHPSJPTXJXPQF-GOEBONIOSA-N 0 3 372.425 2.786 20 5 FFBDHN Cc1cnc(O[C@@H]2CCCN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)nc1 ZINC001254605329 1040834428 /nfs/dbraw/zinc/83/44/28/1040834428.db2.gz BERONEIKSAGBBT-ZWKOTPCHSA-N 0 3 354.410 2.704 20 5 FFBDHN CCc1ccc([C@H](CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)N(C)C)cc1 ZINC001539263034 1070599898 /nfs/dbraw/zinc/59/98/98/1070599898.db2.gz WOCCKYHRQBJBBE-LBPRGKRZSA-N 0 3 365.821 2.566 20 5 FFBDHN Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC001539270505 1070602401 /nfs/dbraw/zinc/60/24/01/1070602401.db2.gz FLSAGHPBYHAFQL-GOSISDBHSA-N 0 3 354.410 2.744 20 5 FFBDHN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccc(C)cc1Cl ZINC001317540218 1045106875 /nfs/dbraw/zinc/10/68/75/1045106875.db2.gz GYJDHYUDOMQHKB-GDBMZVCRSA-N 0 3 353.850 2.642 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CNC[C@]2(O)CCOC2)o1 ZINC001319480588 1045164861 /nfs/dbraw/zinc/16/48/61/1045164861.db2.gz CLQBBTOYZWUFEV-MRXNPFEDSA-N 0 3 352.774 2.749 20 5 FFBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC001343003615 1051619792 /nfs/dbraw/zinc/61/97/92/1051619792.db2.gz XPZIXRHBRPDCEL-ZWKOTPCHSA-N 0 3 360.458 2.796 20 5 FFBDHN C[C@@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1CN(C)CCN1C ZINC001308949278 1052524647 /nfs/dbraw/zinc/52/46/47/1052524647.db2.gz XPOVVTKPVNKLNI-YGRLFVJLSA-N 0 3 361.273 2.626 20 5 FFBDHN CN(C)c1cc(F)c(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000847254989 1055322846 /nfs/dbraw/zinc/32/28/46/1055322846.db2.gz IGNYBJMAUCTYED-CABCVRRESA-N 0 3 364.421 2.547 20 5 FFBDHN C[C@@H](COC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCCCC1 ZINC000847961152 1058524620 /nfs/dbraw/zinc/52/46/20/1058524620.db2.gz SWFQBQGMRSPILX-AWEZNQCLSA-N 0 3 358.398 2.812 20 5 FFBDHN C[C@H](NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)C1=CCN(C)CC1 ZINC001447566242 1058670698 /nfs/dbraw/zinc/67/06/98/1058670698.db2.gz YGSQUJVTYLQHKN-LBPRGKRZSA-N 0 3 354.410 2.710 20 5 FFBDHN CC(COC(=O)CCC(=O)NC(c1ccccc1)c1ccccc1)[N+](=O)[O-] ZINC001515229354 1059445362 /nfs/dbraw/zinc/44/53/62/1059445362.db2.gz HLSJXKANYKXTCK-HNNXBMFYSA-N 0 3 370.405 2.881 20 5 FFBDHN O=[N+]([O-])c1ccccc1-c1cnn(CN2CCN(C3CCCC3)CC2)c1 ZINC000848474713 1060095748 /nfs/dbraw/zinc/09/57/48/1060095748.db2.gz DZFAXUWCHHFOLT-UHFFFAOYSA-N 0 3 355.442 2.976 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@@H](C)[NH+]2CCCCC2)cc1F ZINC001475187036 1060988902 /nfs/dbraw/zinc/98/89/02/1060988902.db2.gz XWXNPHWMNBSLOV-CYBMUJFWSA-N 0 3 373.450 2.585 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)n1 ZINC001529851139 1062415274 /nfs/dbraw/zinc/41/52/74/1062415274.db2.gz GUEXYNGKSKMZMY-INIZCTEOSA-N 0 3 354.410 2.693 20 5 FFBDHN C[C@H](C(=O)Nc1ccc2c(c1)OCCNC2)c1ccc([N+](=O)[O-])cc1F ZINC001575082489 1078103821 /nfs/dbraw/zinc/10/38/21/1078103821.db2.gz PHGHSGVAFFTOFF-NSHDSACASA-N 0 3 359.357 2.958 20 5 FFBDHN C[C@H](CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)N1CCCCC1 ZINC001472493538 1065080832 /nfs/dbraw/zinc/08/08/32/1065080832.db2.gz BSEFLBHFCLYKLQ-CYBMUJFWSA-N 0 3 356.426 2.934 20 5 FFBDHN CCC[C@@H]1CCCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001473260487 1065231517 /nfs/dbraw/zinc/23/15/17/1065231517.db2.gz XLVWUWCNCLAVFC-QGZVFWFLSA-N 0 3 374.485 2.756 20 5 FFBDHN COC(=O)c1cc(NC(=O)C[C@@H]2NCc3ccccc32)cc([N+](=O)[O-])c1 ZINC001578859464 1078535280 /nfs/dbraw/zinc/53/52/80/1078535280.db2.gz SCZAFOSYRLYLIV-INIZCTEOSA-N 0 3 355.350 2.555 20 5 FFBDHN Cc1cc(-c2nnn[n-]2)cc(C)c1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001580615043 1078838389 /nfs/dbraw/zinc/83/83/89/1078838389.db2.gz YBWQUPSTJPKSTD-UHFFFAOYSA-N 0 3 352.398 2.724 20 5 FFBDHN Cc1cc(-c2nn[n-]n2)cc(C)c1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001580615043 1078838398 /nfs/dbraw/zinc/83/83/98/1078838398.db2.gz YBWQUPSTJPKSTD-UHFFFAOYSA-N 0 3 352.398 2.724 20 5 FFBDHN CCOc1cc(NC(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC001563011511 1075096242 /nfs/dbraw/zinc/09/62/42/1075096242.db2.gz FRIVKVUUNWZTAX-DZGCQCFKSA-N 0 3 368.459 2.503 20 5 FFBDHN Cc1cccc(CN2CC[C@@H](NC(=O)Cc3ccccc3[N+](=O)[O-])C2)c1 ZINC001557759607 1075885699 /nfs/dbraw/zinc/88/56/99/1075885699.db2.gz ASWCSHVGHXQJOF-GOSISDBHSA-N 0 3 353.422 2.836 20 5 FFBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC001569514690 1077150046 /nfs/dbraw/zinc/15/00/46/1077150046.db2.gz QLIFLJOXEURDGL-OAHLLOKOSA-N 0 3 373.384 2.861 20 5 FFBDHN C[C@@H](Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001589978706 1080917651 /nfs/dbraw/zinc/91/76/51/1080917651.db2.gz YMVNGWYYCRFTNL-OLZOCXBDSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@@H](Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001589978706 1080917654 /nfs/dbraw/zinc/91/76/54/1080917654.db2.gz YMVNGWYYCRFTNL-OLZOCXBDSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@@H](Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001589978706 1080917657 /nfs/dbraw/zinc/91/76/57/1080917657.db2.gz YMVNGWYYCRFTNL-OLZOCXBDSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@@H](Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001589978706 1080917660 /nfs/dbraw/zinc/91/76/60/1080917660.db2.gz YMVNGWYYCRFTNL-OLZOCXBDSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@@H]1CCC[C@@](CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC001590241028 1081115715 /nfs/dbraw/zinc/11/57/15/1081115715.db2.gz FZLDSDDZHQFOTF-SJKOYZFVSA-N 0 3 359.434 2.697 20 5 FFBDHN C[C@@H]1CCC[C@@](CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC001590241028 1081115719 /nfs/dbraw/zinc/11/57/19/1081115719.db2.gz FZLDSDDZHQFOTF-SJKOYZFVSA-N 0 3 359.434 2.697 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC4(CC3)OCCO4)o2)c1 ZINC000104666405 250182780 /nfs/dbraw/zinc/18/27/80/250182780.db2.gz QCRLAVSHWVMYRQ-UHFFFAOYSA-N 0 3 359.382 2.631 20 5 FFBDHN Cc1nn(C)c(OCC(F)(F)F)c1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000105448150 250214025 /nfs/dbraw/zinc/21/40/25/250214025.db2.gz KIRUZALKCCHCID-UHFFFAOYSA-N 0 3 372.347 2.910 20 5 FFBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000120927960 250643150 /nfs/dbraw/zinc/64/31/50/250643150.db2.gz BEMANMQPGXHJIF-HZMBPMFUSA-N 0 3 370.247 2.770 20 5 FFBDHN COc1cc(CNC[C@@]2(O)CCc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000132161684 251051739 /nfs/dbraw/zinc/05/17/39/251051739.db2.gz NOBBKSLBLQWQCH-IBGZPJMESA-N 0 3 358.394 2.536 20 5 FFBDHN COc1cc(CNC[C@@H](C)N(C)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272525879 252060046 /nfs/dbraw/zinc/06/00/46/252060046.db2.gz YYCZLQYCIOPSSV-LLVKDONJSA-N 0 3 373.400 2.820 20 5 FFBDHN CCN1CCCC[C@H]1CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272584333 252074253 /nfs/dbraw/zinc/07/42/53/252074253.db2.gz YRAWSUXZBQFIFI-ROUUACIJSA-N 0 3 357.458 2.882 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(NCc2ccccc2CN2CC[C@H](O)C2)c1 ZINC000273090051 252213455 /nfs/dbraw/zinc/21/34/55/252213455.db2.gz ISLIMYSJCUUSHS-INIZCTEOSA-N 0 3 357.410 2.782 20 5 FFBDHN O=[N+]([O-])c1ccc(NCc2ccccc2CN2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000273177563 252241723 /nfs/dbraw/zinc/24/17/23/252241723.db2.gz LIEFVDFVCNBUNE-MRXNPFEDSA-N 0 3 372.381 2.682 20 5 FFBDHN C[C@H]1C[C@@H](N2CCCC2)CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000285731602 257001897 /nfs/dbraw/zinc/00/18/97/257001897.db2.gz XOSMOBABGLRCCN-GXTWGEPZSA-N 0 3 366.849 2.745 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CNC1CCN(c2cc(C)[nH]n2)CC1 ZINC000276077151 256070471 /nfs/dbraw/zinc/07/04/71/256070471.db2.gz TXBFTTDGAFADLG-UHFFFAOYSA-N 0 3 359.430 2.784 20 5 FFBDHN COc1ccc([C@H](CN(C)C)NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000285865964 257008539 /nfs/dbraw/zinc/00/85/39/257008539.db2.gz BFWJXYXMUMRTGW-INIZCTEOSA-N 0 3 373.409 2.645 20 5 FFBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000288393269 257183998 /nfs/dbraw/zinc/18/39/98/257183998.db2.gz MLGRFZGVVLZLDI-JSGCOSHPSA-N 0 3 370.409 2.547 20 5 FFBDHN C[C@@H](NC[C@@](C)(O)CNC(=O)OC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000289584940 257288517 /nfs/dbraw/zinc/28/85/17/257288517.db2.gz RQXLLEPPAKNVHI-SJKOYZFVSA-N 0 3 353.419 2.521 20 5 FFBDHN Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000290546226 257340116 /nfs/dbraw/zinc/34/01/16/257340116.db2.gz ORIGTMHQYFMPFY-RISCZKNCSA-N 0 3 362.386 2.510 20 5 FFBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(CC2CCCCC2)CC1 ZINC000301085968 258024055 /nfs/dbraw/zinc/02/40/55/258024055.db2.gz JPTZAUNBTDDIME-UHFFFAOYSA-N 0 3 360.458 2.657 20 5 FFBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000301091791 258024907 /nfs/dbraw/zinc/02/49/07/258024907.db2.gz IALRIOFLUNJWJL-KRWDZBQOSA-N 0 3 360.389 2.808 20 5 FFBDHN CC1=CCN(CCNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000302172746 258093054 /nfs/dbraw/zinc/09/30/54/258093054.db2.gz VCEWHQOWQFOYJE-UHFFFAOYSA-N 0 3 358.442 2.895 20 5 FFBDHN Cc1cc(NCCNC(=O)c2cccnc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302194441 258093982 /nfs/dbraw/zinc/09/39/82/258093982.db2.gz SBZQOWWIDQGLEE-UHFFFAOYSA-N 0 3 351.366 2.688 20 5 FFBDHN CN(CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000302194934 258094114 /nfs/dbraw/zinc/09/41/14/258094114.db2.gz SFSFPXFCVQNBOC-UHFFFAOYSA-N 0 3 361.489 2.736 20 5 FFBDHN Cc1cc(N2CCN(CC(C)(C)O)[C@H](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302476625 258103438 /nfs/dbraw/zinc/10/34/38/258103438.db2.gz FJAJJLSUBWGNLF-CQSZACIVSA-N 0 3 358.442 2.733 20 5 FFBDHN C[C@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)N(C)Cc1ccccc1 ZINC000301687246 258063185 /nfs/dbraw/zinc/06/31/85/258063185.db2.gz MDMPJSCWLJRJFR-CYBMUJFWSA-N 0 3 370.409 2.858 20 5 FFBDHN C[C@H]1C[C@H](C)CN(CCCNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301883661 258072550 /nfs/dbraw/zinc/07/25/50/258072550.db2.gz LEINFLFTARUVAS-KBPBESRZSA-N 0 3 369.487 2.778 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000330836933 258171621 /nfs/dbraw/zinc/17/16/21/258171621.db2.gz TWHIDYZCBKOKAP-JQWIXIFHSA-N 0 3 357.863 2.939 20 5 FFBDHN COc1cc(CN2C[C@@H](SC)[C@@H](N3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000332084503 258213413 /nfs/dbraw/zinc/21/34/13/258213413.db2.gz PUJGYSJWMUZYFR-DOTOQJQBSA-N 0 3 369.462 2.754 20 5 FFBDHN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC[C@@H](N2CCCC2)C1 ZINC000332298148 258223957 /nfs/dbraw/zinc/22/39/57/258223957.db2.gz HIYPFMFISOHWGF-CYBMUJFWSA-N 0 3 369.368 2.897 20 5 FFBDHN C[C@@H]1C[C@@H](C)CN(C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000064957582 506244142 /nfs/dbraw/zinc/24/41/42/506244142.db2.gz DBUQWXPMBCRISQ-ZIAGYGMSSA-N 0 3 369.487 2.630 20 5 FFBDHN CCc1ccc([C@@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000032735066 506286911 /nfs/dbraw/zinc/28/69/11/506286911.db2.gz RCEWPCNGTOPOAE-LJQANCHMSA-N 0 3 371.437 2.955 20 5 FFBDHN CN(CCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000054764422 506618038 /nfs/dbraw/zinc/61/80/38/506618038.db2.gz HGKHNRKLZIYDMB-UHFFFAOYSA-N 0 3 356.426 2.868 20 5 FFBDHN CCN1CCC[C@H]1CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000055416301 506747035 /nfs/dbraw/zinc/74/70/35/506747035.db2.gz PLFSVVVUOKELRB-INIZCTEOSA-N 0 3 363.461 2.755 20 5 FFBDHN Cn1ccnc1C(=O)c1ccc(NCCCN2CCCCC2)c([N+](=O)[O-])c1 ZINC000067382992 506854134 /nfs/dbraw/zinc/85/41/34/506854134.db2.gz IQDQYWISDUNBIW-UHFFFAOYSA-N 0 3 371.441 2.847 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN(CCC(C)(C)C)CC1 ZINC000055936306 506891443 /nfs/dbraw/zinc/89/14/43/506891443.db2.gz MTUFOPJGJBVCSH-UHFFFAOYSA-N 0 3 362.474 2.896 20 5 FFBDHN CN(C)[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)Cc1ccccc1 ZINC000056203384 506961068 /nfs/dbraw/zinc/96/10/68/506961068.db2.gz HNXABIZJUMAAHA-MRXNPFEDSA-N 0 3 366.421 2.979 20 5 FFBDHN CN(C)C[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000015583771 507049616 /nfs/dbraw/zinc/04/96/16/507049616.db2.gz ZGTCDVRVQHZVHT-QGZVFWFLSA-N 0 3 356.426 2.816 20 5 FFBDHN CCCCCNC(=O)C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000046065169 507070223 /nfs/dbraw/zinc/07/02/23/507070223.db2.gz DPJNHDPBTHXPAC-UHFFFAOYSA-N 0 3 363.458 2.992 20 5 FFBDHN C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@H]1N1CCN(C)CC1 ZINC000371305409 512318501 /nfs/dbraw/zinc/31/85/01/512318501.db2.gz YRCVWEZLELBQDW-KBXCAEBGSA-N 0 3 366.893 2.706 20 5 FFBDHN C[C@@H]1CCCN(c2ccc(C(=O)NC3CCN(C)CC3)cc2[N+](=O)[O-])C1 ZINC000023751373 507372227 /nfs/dbraw/zinc/37/22/27/507372227.db2.gz QZWLXOSTTATREB-CQSZACIVSA-N 0 3 360.458 2.655 20 5 FFBDHN CN(C)Cc1ccc(CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000069044901 507388919 /nfs/dbraw/zinc/38/89/19/507388919.db2.gz SQTYNDVACFNAAB-UHFFFAOYSA-N 0 3 372.425 2.535 20 5 FFBDHN CCC[C@H](C)NC(=O)C(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000048717177 507554713 /nfs/dbraw/zinc/55/47/13/507554713.db2.gz CVJXUJIKUNPDTI-AAEUAGOBSA-N 0 3 356.444 2.511 20 5 FFBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccc2c(c1)OCCO2 ZINC000026227870 507569963 /nfs/dbraw/zinc/56/99/63/507569963.db2.gz IBACSMNTBCFGFB-UHFFFAOYSA-N 0 3 371.393 2.827 20 5 FFBDHN COC[C@@](C)(O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000069912671 507581966 /nfs/dbraw/zinc/58/19/66/507581966.db2.gz IKYBZMDPDJXHAJ-INIZCTEOSA-N 0 3 354.790 2.995 20 5 FFBDHN C[C@@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCCC[C@H]1C ZINC000049749594 507636376 /nfs/dbraw/zinc/63/63/76/507636376.db2.gz RHYXEHMYWZMXIX-CABCVRRESA-N 0 3 371.441 2.773 20 5 FFBDHN Cc1ccccc1OCCN(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000027700909 507678753 /nfs/dbraw/zinc/67/87/53/507678753.db2.gz IHALLOJGAWKNBS-KRWDZBQOSA-N 0 3 360.410 2.654 20 5 FFBDHN CCC[C@@H](C)NC(=O)[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000051049485 507728052 /nfs/dbraw/zinc/72/80/52/507728052.db2.gz PZXFFLJUADVAOK-CVEARBPZSA-N 0 3 363.458 2.990 20 5 FFBDHN CN(CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1N1CCOCC1 ZINC000051500931 507773265 /nfs/dbraw/zinc/77/32/65/507773265.db2.gz UQRLBEJIVGCHSC-UHFFFAOYSA-N 0 3 371.437 2.942 20 5 FFBDHN CCN1CCC(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000064419669 507796033 /nfs/dbraw/zinc/79/60/33/507796033.db2.gz XOJLNWVIBOOULY-NSHDSACASA-N 0 3 355.822 2.616 20 5 FFBDHN O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000031620502 507820718 /nfs/dbraw/zinc/82/07/18/507820718.db2.gz VFVLNTIMWGNHOX-UHFFFAOYSA-N 0 3 356.382 2.521 20 5 FFBDHN Cc1cnn(CCCCCN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000072665107 507840090 /nfs/dbraw/zinc/84/00/90/507840090.db2.gz GWRQZEACZPGBLE-MRXNPFEDSA-N 0 3 358.446 2.851 20 5 FFBDHN CN1CCC[C@@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000108505994 507899672 /nfs/dbraw/zinc/89/96/72/507899672.db2.gz LGGKOUGXMJQRDB-JTQLQIEISA-N 0 3 358.345 2.660 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCC2CCN(c3ccncc3)CC2)c1 ZINC000090148103 507911493 /nfs/dbraw/zinc/91/14/93/507911493.db2.gz DVMIPUYWMYIWEU-UHFFFAOYSA-N 0 3 354.410 2.945 20 5 FFBDHN O=c1ccc([N+](=O)[O-])cn1CCN(Cc1ccccc1)CC1(O)CCCC1 ZINC000090552449 507927617 /nfs/dbraw/zinc/92/76/17/507927617.db2.gz DCXMQARRDOTEPD-UHFFFAOYSA-N 0 3 371.437 2.564 20 5 FFBDHN CC(=O)NCCCNCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000074231198 508000757 /nfs/dbraw/zinc/00/07/57/508000757.db2.gz NYDCDHGQQNRYBP-UHFFFAOYSA-N 0 3 356.426 2.979 20 5 FFBDHN C[C@@H](c1ccncc1)N(C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000091990417 508031377 /nfs/dbraw/zinc/03/13/77/508031377.db2.gz QYAXJHLXWCWFBF-ZDUSSCGKSA-N 0 3 356.382 2.981 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN(c2ccncc2)CC1 ZINC000085634003 508314482 /nfs/dbraw/zinc/31/44/82/508314482.db2.gz OVDAVHXHOUGSJM-UHFFFAOYSA-N 0 3 355.398 2.961 20 5 FFBDHN O=C(NCCN1CCCCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000106006798 508387837 /nfs/dbraw/zinc/38/78/37/508387837.db2.gz MXKVHYYOSWFHSM-UHFFFAOYSA-N 0 3 360.458 2.801 20 5 FFBDHN Cc1cccc(NCCNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)n1 ZINC000133479353 508405448 /nfs/dbraw/zinc/40/54/48/508405448.db2.gz TWNXASYKPJFLNF-UHFFFAOYSA-N 0 3 366.425 2.900 20 5 FFBDHN C[C@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000156477457 508426465 /nfs/dbraw/zinc/42/64/65/508426465.db2.gz OQFHSYQTYHQBBW-YOEHRIQHSA-N 0 3 357.414 2.703 20 5 FFBDHN Cc1ccc(C(=O)N(CCN(C)C)Cc2cccc(O)c2)cc1[N+](=O)[O-] ZINC000157260178 508543806 /nfs/dbraw/zinc/54/38/06/508543806.db2.gz TWNINCJSUGSJTP-UHFFFAOYSA-N 0 3 357.410 2.813 20 5 FFBDHN C[C@H]1C[C@@H](N(C)C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000122947116 508611696 /nfs/dbraw/zinc/61/16/96/508611696.db2.gz SAQNOUSMISBFCF-JSGCOSHPSA-N 0 3 369.849 2.958 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CN1C1CC1 ZINC000123098313 508635675 /nfs/dbraw/zinc/63/56/75/508635675.db2.gz CQSMOVYZORALHT-DZGCQCFKSA-N 0 3 358.442 2.894 20 5 FFBDHN CCN1CCC(n2nccc2NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000136151802 508674623 /nfs/dbraw/zinc/67/46/23/508674623.db2.gz CNBULGZQZXMGOH-UHFFFAOYSA-N 0 3 373.413 2.709 20 5 FFBDHN CN(C)CCn1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000129073210 508679039 /nfs/dbraw/zinc/67/90/39/508679039.db2.gz VMBJJPWVUZVNPI-UHFFFAOYSA-N 0 3 371.319 2.624 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000118958709 508695734 /nfs/dbraw/zinc/69/57/34/508695734.db2.gz ZSWZCAYWMOWPDA-QAPCUYQASA-N 0 3 368.437 2.915 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000137460193 508757279 /nfs/dbraw/zinc/75/72/79/508757279.db2.gz MYFGUFBVIRJSJQ-DOTOQJQBSA-N 0 3 369.421 2.753 20 5 FFBDHN CCN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000158887746 508764047 /nfs/dbraw/zinc/76/40/47/508764047.db2.gz BCVHJWXYGYQDIN-LLVKDONJSA-N 0 3 356.220 2.571 20 5 FFBDHN CN(CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Cc1ccccc1 ZINC000158970351 508775402 /nfs/dbraw/zinc/77/54/02/508775402.db2.gz XOQPMQNADNLTET-UHFFFAOYSA-N 0 3 366.421 2.867 20 5 FFBDHN CN(C)CCOc1ccccc1C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000119411539 508791148 /nfs/dbraw/zinc/79/11/48/508791148.db2.gz BEFFZWWSPUKIBE-UHFFFAOYSA-N 0 3 369.421 2.734 20 5 FFBDHN CC[C@H]1CCCCN1CCNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000124204734 508796454 /nfs/dbraw/zinc/79/64/54/508796454.db2.gz MYSXDQZPZHVDGJ-INIZCTEOSA-N 0 3 360.458 2.927 20 5 FFBDHN CC(C)N(CCc1nccs1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000159762872 508886955 /nfs/dbraw/zinc/88/69/55/508886955.db2.gz LKPBFNSDQBWSIU-HNNXBMFYSA-N 0 3 365.455 2.744 20 5 FFBDHN COc1cc(NCc2ccnc(OCCN(C)C)c2)c(F)cc1[N+](=O)[O-] ZINC000120147440 508937722 /nfs/dbraw/zinc/93/77/22/508937722.db2.gz RVNJALUJIYOVLC-UHFFFAOYSA-N 0 3 364.377 2.690 20 5 FFBDHN CCN1CCC[C@H]1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000160699887 509021769 /nfs/dbraw/zinc/02/17/69/509021769.db2.gz GIHHPMAPXBKZJJ-LBPRGKRZSA-N 0 3 356.220 2.571 20 5 FFBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000120728139 509053580 /nfs/dbraw/zinc/05/35/80/509053580.db2.gz QLJYHESONXMVPU-ZBFHGGJFSA-N 0 3 360.458 2.607 20 5 FFBDHN C[C@@H](NC[C@@H](O)CN1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000151801351 509085975 /nfs/dbraw/zinc/08/59/75/509085975.db2.gz BQPQZHQVFITUOO-FOIQADDNSA-N 0 3 355.438 2.665 20 5 FFBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000121060001 509119901 /nfs/dbraw/zinc/11/99/01/509119901.db2.gz TVRFTIUBEAJWFY-CYBMUJFWSA-N 0 3 368.231 2.571 20 5 FFBDHN Cc1c(Br)cc(C(=O)N2CCC[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000121429541 509173509 /nfs/dbraw/zinc/17/35/09/509173509.db2.gz HIDCPQBNDOZTBX-LBPRGKRZSA-N 0 3 370.247 2.832 20 5 FFBDHN CN1CC[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000248034361 509220064 /nfs/dbraw/zinc/22/00/64/509220064.db2.gz KWFZLMWZPVVDJY-YLJYHZDGSA-N 0 3 368.437 2.958 20 5 FFBDHN Cc1cc(C)c(S(=O)(=O)NC2CCN(C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000191891036 509233468 /nfs/dbraw/zinc/23/34/68/509233468.db2.gz NLKHUOOPOLVXQZ-UHFFFAOYSA-N 0 3 369.487 2.753 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C)[C@@H]1COc2ccccc21 ZINC000185593760 509255389 /nfs/dbraw/zinc/25/53/89/509255389.db2.gz YCHYXPACWNUKPD-CJNGLKHVSA-N 0 3 355.394 2.996 20 5 FFBDHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000192219628 509410822 /nfs/dbraw/zinc/41/08/22/509410822.db2.gz MYRFWIYPXVGUMK-LJQANCHMSA-N 0 3 369.421 2.616 20 5 FFBDHN Cc1c([C@@H](C)NCCn2ccc([N+](=O)[O-])n2)cnn1-c1ccc(F)cc1 ZINC000182857189 509462132 /nfs/dbraw/zinc/46/21/32/509462132.db2.gz GEKYIDQYBABZBG-GFCCVEGCSA-N 0 3 358.377 2.775 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@H]1CCCc2c(O)cccc21 ZINC000192361274 509483235 /nfs/dbraw/zinc/48/32/35/509483235.db2.gz RUWKXPBORXSLRR-BBRMVZONSA-N 0 3 358.394 2.707 20 5 FFBDHN CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1c2ccccc2-c2ccccc21 ZINC000176434598 509507891 /nfs/dbraw/zinc/50/78/91/509507891.db2.gz SMVFLHOWCSLRMI-HNNXBMFYSA-N 0 3 364.405 2.854 20 5 FFBDHN C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(C2CCC2)C1 ZINC000186075021 509511963 /nfs/dbraw/zinc/51/19/63/509511963.db2.gz GDURXNYYXWUVHB-ZIAGYGMSSA-N 0 3 367.471 2.526 20 5 FFBDHN CN1CCN(C)[C@@H](CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000264738023 509674777 /nfs/dbraw/zinc/67/47/77/509674777.db2.gz JMWPLJDMFLKONU-AWEZNQCLSA-N 0 3 360.483 2.659 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H](c3nccs3)C2)c1 ZINC000249803539 509767268 /nfs/dbraw/zinc/76/72/68/509767268.db2.gz ARWDPEUQOYFBJY-HIFRSBDPSA-N 0 3 363.439 2.671 20 5 FFBDHN COc1ccc(CN2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000249817380 509768873 /nfs/dbraw/zinc/76/88/73/509768873.db2.gz LNBTWUQUIWXTQT-BFYDXBDKSA-N 0 3 363.458 2.677 20 5 FFBDHN COc1cc(CNCC[C@](C)(O)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000189844561 509783018 /nfs/dbraw/zinc/78/30/18/509783018.db2.gz NNMULBXGFBSZDH-IBGZPJMESA-N 0 3 360.410 2.999 20 5 FFBDHN CCOC(=O)C[C@](C)(NCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000186667490 509838159 /nfs/dbraw/zinc/83/81/59/509838159.db2.gz DQHQCPQJRDTNIL-SFHVURJKSA-N 0 3 365.430 2.799 20 5 FFBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@@H](C)C1 ZINC000252735505 509860080 /nfs/dbraw/zinc/86/00/80/509860080.db2.gz MYSUNKDAEPTKJL-ZIAGYGMSSA-N 0 3 356.426 2.993 20 5 FFBDHN C[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000180426354 509920476 /nfs/dbraw/zinc/92/04/76/509920476.db2.gz ZFZSMKMEVWGIAI-MLGOLLRUSA-N 0 3 361.354 2.594 20 5 FFBDHN C[C@@H]1CCCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000180477153 509944681 /nfs/dbraw/zinc/94/46/81/509944681.db2.gz AZYULNZXWRYSJH-LLVKDONJSA-N 0 3 357.357 2.658 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCNC[C@H]1c1cccc(F)c1 ZINC000261704134 510033749 /nfs/dbraw/zinc/03/37/49/510033749.db2.gz JZGZPEGRSLDAQU-KRWDZBQOSA-N 0 3 372.400 2.627 20 5 FFBDHN CN1CC[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000245658889 510067327 /nfs/dbraw/zinc/06/73/27/510067327.db2.gz PBPFDDWLBMIDCI-ZWKOTPCHSA-N 0 3 354.410 2.839 20 5 FFBDHN CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000268682206 510068698 /nfs/dbraw/zinc/06/86/98/510068698.db2.gz GPLYSJFQHQXKNN-INIZCTEOSA-N 0 3 354.410 2.524 20 5 FFBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000245671288 510074184 /nfs/dbraw/zinc/07/41/84/510074184.db2.gz SEENJAHVIIGCKP-KBPBESRZSA-N 0 3 358.442 2.855 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000193835681 510093632 /nfs/dbraw/zinc/09/36/32/510093632.db2.gz TWWVDHLHWFSFHS-MRXNPFEDSA-N 0 3 369.421 2.855 20 5 FFBDHN CCc1n[nH]c(C(=O)N2CCCN(CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000171400647 510134173 /nfs/dbraw/zinc/13/41/73/510134173.db2.gz TUVCRXKQMVGLEB-UHFFFAOYSA-N 0 3 363.462 2.609 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC(C)(C)OC(C)(C)C1 ZINC000190552635 510201466 /nfs/dbraw/zinc/20/14/66/510201466.db2.gz MMVSBKOJESUQJM-UHFFFAOYSA-N 0 3 365.430 2.821 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000171530905 510211466 /nfs/dbraw/zinc/21/14/66/510211466.db2.gz ICOWXWPIYOTPPN-UHFFFAOYSA-N 0 3 373.413 2.594 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN(Cc2ccccc2)Cc2ccccc2)c1 ZINC000174665654 510239373 /nfs/dbraw/zinc/23/93/73/510239373.db2.gz LUGFSWQKMLQTJF-HXUWFJFHSA-N 0 3 366.421 2.855 20 5 FFBDHN COc1cc(C(=O)NC[C@H](c2ccccc2)N(C)C)cc([N+](=O)[O-])c1OC ZINC000265986784 510341852 /nfs/dbraw/zinc/34/18/52/510341852.db2.gz LAYVFFRBYLCADS-MRXNPFEDSA-N 0 3 373.409 2.645 20 5 FFBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000181308577 510350120 /nfs/dbraw/zinc/35/01/20/510350120.db2.gz IMYUBZWJGVBEOU-MRXNPFEDSA-N 0 3 370.453 2.957 20 5 FFBDHN O=[N+]([O-])c1cc(CN2CCN(CC3CCOCC3)CC2)ccc1Cl ZINC000178020052 510380415 /nfs/dbraw/zinc/38/04/15/510380415.db2.gz AUTMGYRPHHIUJA-UHFFFAOYSA-N 0 3 353.850 2.792 20 5 FFBDHN Cc1cc(N2CCN(C[C@H]3CCOC3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000181523820 510453621 /nfs/dbraw/zinc/45/36/21/510453621.db2.gz ZSEDIUXDGXCYTM-OAHLLOKOSA-N 0 3 356.426 2.610 20 5 FFBDHN Nc1c(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)cccc1[N+](=O)[O-] ZINC000178182839 510475975 /nfs/dbraw/zinc/47/59/75/510475975.db2.gz LHCJRGXKSFHAGY-CYBMUJFWSA-N 0 3 374.466 2.881 20 5 FFBDHN CCN1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181775828 510586410 /nfs/dbraw/zinc/58/64/10/510586410.db2.gz JSCIYEDBWYWFGM-GFCCVEGCSA-N 0 3 357.357 2.800 20 5 FFBDHN C[C@H](NCCOc1ccccc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000181902064 510650023 /nfs/dbraw/zinc/65/00/23/510650023.db2.gz KUYNJNPAADZSIQ-AWEZNQCLSA-N 0 3 353.382 2.905 20 5 FFBDHN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(-n2ccnn2)cc1 ZINC000182006628 510704788 /nfs/dbraw/zinc/70/47/88/510704788.db2.gz HDSKDMWELCELAH-AWEZNQCLSA-N 0 3 353.382 2.905 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(OC3CCCC3)CC2)c1 ZINC000195323807 510782369 /nfs/dbraw/zinc/78/23/69/510782369.db2.gz JBNRWJFPUYKLQO-INIZCTEOSA-N 0 3 364.442 2.758 20 5 FFBDHN CC(C)N1CCN(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000270430837 510806423 /nfs/dbraw/zinc/80/64/23/510806423.db2.gz BNQVPLWEEDPNOD-UHFFFAOYSA-N 0 3 368.428 2.868 20 5 FFBDHN C[C@@H](CN1CCCCCC1)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000185412139 510838574 /nfs/dbraw/zinc/83/85/74/510838574.db2.gz MGAFGZNBYDIQDH-HNNXBMFYSA-N 0 3 371.441 2.775 20 5 FFBDHN CC(C)N1CCN(C2CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000270487241 510885225 /nfs/dbraw/zinc/88/52/25/510885225.db2.gz QKYNTGUUQUATRK-UHFFFAOYSA-N 0 3 367.881 2.638 20 5 FFBDHN COc1ccc(OC)c([C@@H](O)CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000293887181 510887889 /nfs/dbraw/zinc/88/78/89/510887889.db2.gz VSAONHODHCBJJQ-DIFFPNOSSA-N 0 3 361.398 2.578 20 5 FFBDHN CN1CCC[C@]2(CCN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C2)C1 ZINC000293926720 510901808 /nfs/dbraw/zinc/90/18/08/510901808.db2.gz IVPBBNLCCKMDSR-IBGZPJMESA-N 0 3 356.426 2.563 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC=C(c2ccnn2C)CC1 ZINC000285483787 510924939 /nfs/dbraw/zinc/92/49/39/510924939.db2.gz CYQHNGFRZUHXTJ-UHFFFAOYSA-N 0 3 369.425 2.755 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270857505 511006752 /nfs/dbraw/zinc/00/67/52/511006752.db2.gz YVMYPUZVFGGTOT-ACJLOTCBSA-N 0 3 358.442 2.752 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCC[C@H]2CCCF)cc1 ZINC000282563778 511027291 /nfs/dbraw/zinc/02/72/91/511027291.db2.gz YIQGVFIWQGIOQC-XJKSGUPXSA-N 0 3 358.435 2.877 20 5 FFBDHN Cc1ccc([C@H](C)NC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000364725450 511044500 /nfs/dbraw/zinc/04/45/00/511044500.db2.gz SWGFTLUDSGYZLV-UETVFIHBSA-N 0 3 361.442 2.613 20 5 FFBDHN CCN1CCN(Cc2ccc(NC(=O)CCC(C)(C)[N+](=O)[O-])cc2)CC1 ZINC000294377468 511045302 /nfs/dbraw/zinc/04/53/02/511045302.db2.gz HDWYBPUUPOZGNV-UHFFFAOYSA-N 0 3 362.474 2.598 20 5 FFBDHN COC(=O)[C@]1(C)CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000282649831 511060257 /nfs/dbraw/zinc/06/02/57/511060257.db2.gz FVXJMILMBSRTKF-BFUOFWGJSA-N 0 3 372.425 2.626 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](c2ccncn2)C1 ZINC000361654161 511075970 /nfs/dbraw/zinc/07/59/70/511075970.db2.gz YRPNHRFSAUARRF-HNNXBMFYSA-N 0 3 369.425 2.901 20 5 FFBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NCCN(C)Cc1ccccc1 ZINC000279419874 511076534 /nfs/dbraw/zinc/07/65/34/511076534.db2.gz WUMJEVUDCAOCPG-UHFFFAOYSA-N 0 3 357.410 2.855 20 5 FFBDHN COc1ccc([C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])N2CCCC2)cc1 ZINC000294525496 511092940 /nfs/dbraw/zinc/09/29/40/511092940.db2.gz ZAHCFACBAKUERR-KRWDZBQOSA-N 0 3 363.458 2.784 20 5 FFBDHN CS(=O)(=O)C1(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000279653607 511163897 /nfs/dbraw/zinc/16/38/97/511163897.db2.gz KWJCOCCPFFXGRW-UHFFFAOYSA-N 0 3 366.464 2.990 20 5 FFBDHN CC(=O)c1ccc(OC[C@H](O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000294946030 511230140 /nfs/dbraw/zinc/23/01/40/511230140.db2.gz AHAOLLOBCBJHDK-SCLBCKFNSA-N 0 3 358.394 2.888 20 5 FFBDHN COCCCN1CCC(NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000295036648 511259872 /nfs/dbraw/zinc/25/98/72/511259872.db2.gz IWVVQVJGADLHEV-UHFFFAOYSA-N 0 3 369.849 2.787 20 5 FFBDHN CN1CCC[C@@H]2CN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000295078323 511273466 /nfs/dbraw/zinc/27/34/66/511273466.db2.gz WOUBJMBMGKXXRT-NVXWUHKLSA-N 0 3 359.426 2.500 20 5 FFBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295278205 511346114 /nfs/dbraw/zinc/34/61/14/511346114.db2.gz MMZASSDKJTWKGT-PBHICJAKSA-N 0 3 359.426 2.643 20 5 FFBDHN COC(=O)C1CCN(CCCNc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000298715866 511385874 /nfs/dbraw/zinc/38/58/74/511385874.db2.gz MSGIRUFYQZMHRO-UHFFFAOYSA-N 0 3 372.425 2.830 20 5 FFBDHN CCOc1ccc([C@@H](O)C2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000291969358 511411291 /nfs/dbraw/zinc/41/12/91/511411291.db2.gz VLVGDBLLSJENSS-LJQANCHMSA-N 0 3 374.441 2.636 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(N2CCCCC2)CC1 ZINC000298834307 511425373 /nfs/dbraw/zinc/42/53/73/511425373.db2.gz YFWUIHRFZKRQQC-UHFFFAOYSA-N 0 3 367.471 2.542 20 5 FFBDHN CC(C)N(CCOCCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000283619241 511437959 /nfs/dbraw/zinc/43/79/59/511437959.db2.gz AIXVFNOYBXIIIO-UHFFFAOYSA-N 0 3 363.414 2.512 20 5 FFBDHN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(C(C)C)CC1 ZINC000295877813 511542568 /nfs/dbraw/zinc/54/25/68/511542568.db2.gz GSBRSEGFEWICLK-UHFFFAOYSA-N 0 3 358.446 2.794 20 5 FFBDHN CC[C@H](C)N1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000296025213 511592769 /nfs/dbraw/zinc/59/27/69/511592769.db2.gz MDAPKLXIVDYBJT-QWHCGFSZSA-N 0 3 368.865 2.991 20 5 FFBDHN Cc1ccc(C2CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000363652530 511683705 /nfs/dbraw/zinc/68/37/05/511683705.db2.gz QEIPPXDAKOUSPS-SFHVURJKSA-N 0 3 371.437 2.918 20 5 FFBDHN CN(CC1CCN(C)CC1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273993182 511683902 /nfs/dbraw/zinc/68/39/02/511683902.db2.gz XNOLIPDHQJNSHC-UHFFFAOYSA-N 0 3 351.422 2.812 20 5 FFBDHN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CC[C@H](N2CCCC2)C1 ZINC000364015049 511907759 /nfs/dbraw/zinc/90/77/59/511907759.db2.gz VWIQDYZIHSYACV-LBPRGKRZSA-N 0 3 355.797 2.627 20 5 FFBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(C[C@@H]4CCCCO4)CC3)nc2c1 ZINC000274824554 511955076 /nfs/dbraw/zinc/95/50/76/511955076.db2.gz KQJHGHPFOOBCLE-HNNXBMFYSA-N 0 3 359.430 2.552 20 5 FFBDHN O=C(NCC(F)(F)F)[C@@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000275156924 512059128 /nfs/dbraw/zinc/05/91/28/512059128.db2.gz WJEVSIWTMMXQBD-MASHWEEQSA-N 0 3 357.332 2.608 20 5 FFBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)COCc1cccs1 ZINC000285328498 512077969 /nfs/dbraw/zinc/07/79/69/512077969.db2.gz NQKJJXFEFJVARE-OAHLLOKOSA-N 0 3 350.440 2.708 20 5 FFBDHN CN1CCC[C@@]2(CCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000293827383 512093443 /nfs/dbraw/zinc/09/34/43/512093443.db2.gz BRCAFEDEHGPGDP-LJQANCHMSA-N 0 3 360.458 2.731 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000375694824 512459727 /nfs/dbraw/zinc/45/97/27/512459727.db2.gz ZLLCTFVVUBEZRP-MRXNPFEDSA-N 0 3 369.421 2.855 20 5 FFBDHN COc1ccc(OCCN2CCC[C@@H](c3ccnn3C)C2)c([N+](=O)[O-])c1 ZINC000377823679 512467414 /nfs/dbraw/zinc/46/74/14/512467414.db2.gz LQDJCBSGDSJICJ-CQSZACIVSA-N 0 3 360.414 2.595 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@H](C)N2CCCC[C@@H]2C)c1F ZINC000411414186 512624983 /nfs/dbraw/zinc/62/49/83/512624983.db2.gz HSHJKCAJGNISAY-STQMWFEESA-N 0 3 367.421 2.664 20 5 FFBDHN COC(=O)[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000374169575 512690513 /nfs/dbraw/zinc/69/05/13/512690513.db2.gz DEMGKYZKKXCPBN-OTWHNJEPSA-N 0 3 370.405 2.517 20 5 FFBDHN C[C@@H](C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)N1[C@H](C)CC[C@H]1C ZINC000411996281 512907399 /nfs/dbraw/zinc/90/73/99/512907399.db2.gz GEQJXDHFJOITQK-UTUOFQBUSA-N 0 3 358.402 2.580 20 5 FFBDHN CCn1c(C)nc([N+](=O)[O-])c1NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000397507096 512946081 /nfs/dbraw/zinc/94/60/81/512946081.db2.gz HBGUHZFMSBPMOC-UHFFFAOYSA-N 0 3 373.457 2.559 20 5 FFBDHN CC(C)OCCN1CCC(Nc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450367984 513161923 /nfs/dbraw/zinc/16/19/23/513161923.db2.gz YTUBRGZFAHRSIH-UHFFFAOYSA-N 0 3 358.442 2.866 20 5 FFBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000450409089 513180982 /nfs/dbraw/zinc/18/09/82/513180982.db2.gz XCAOGPHIRWMONA-JKSUJKDBSA-N 0 3 362.455 2.633 20 5 FFBDHN COc1cc(CN[C@@H]2C[C@H]3OCCC[C@H]23)c([N+](=O)[O-])cc1OCC(F)F ZINC000439785345 513183378 /nfs/dbraw/zinc/18/33/78/513183378.db2.gz YMOTYUNHTPAWGQ-YRGRVCCFSA-N 0 3 372.368 2.904 20 5 FFBDHN O=[N+]([O-])c1cc(Br)ccc1N[C@H]1CCCN(CCCO)C1 ZINC000450621445 513276796 /nfs/dbraw/zinc/27/67/96/513276796.db2.gz WXLNAGVYSYQQNE-LBPRGKRZSA-N 0 3 358.236 2.616 20 5 FFBDHN COc1ccc(OCCN2CCOC[C@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000429237047 513311849 /nfs/dbraw/zinc/31/18/49/513311849.db2.gz OBQNHYAMAWBIDV-OAHLLOKOSA-N 0 3 350.415 2.731 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000450864447 513373130 /nfs/dbraw/zinc/37/31/30/513373130.db2.gz QZKSDYJZGKSZCO-FSPWUOQZSA-N 0 3 359.426 2.779 20 5 FFBDHN CN(C[C@H]1CCCN1C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000421701473 513375121 /nfs/dbraw/zinc/37/51/21/513375121.db2.gz HSIFVKMXPGQNCA-CQSZACIVSA-N 0 3 360.439 2.885 20 5 FFBDHN CN1CCN(CC2CCN(c3nccc4ccc([N+](=O)[O-])cc43)CC2)CC1 ZINC000413065887 513419704 /nfs/dbraw/zinc/41/97/04/513419704.db2.gz CFYNYSPHAOPFKN-UHFFFAOYSA-N 0 3 369.469 2.607 20 5 FFBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@@H]1N1CCCC1 ZINC000421806571 513438781 /nfs/dbraw/zinc/43/87/81/513438781.db2.gz ZULYNTNDKZGKRZ-IRXDYDNUSA-N 0 3 363.483 2.863 20 5 FFBDHN CNCc1ccccc1NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000415907026 513471897 /nfs/dbraw/zinc/47/18/97/513471897.db2.gz ZHQVAKNZWXNFSX-UHFFFAOYSA-N 0 3 369.425 2.668 20 5 FFBDHN CN(Cc1ccccc1)C(=O)CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447538538 513501837 /nfs/dbraw/zinc/50/18/37/513501837.db2.gz BVYDGJFACLXCLS-IAGOWNOFSA-N 0 3 371.441 2.523 20 5 FFBDHN O=C(Nc1ccc2c(c1)CNCCO2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000415965903 513505882 /nfs/dbraw/zinc/50/58/82/513505882.db2.gz AVSIWAALTZCNOQ-UHFFFAOYSA-N 0 3 368.393 2.667 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@@H](c4nc[nH]n4)C3)cs2)c1 ZINC000425361057 513528970 /nfs/dbraw/zinc/52/89/70/513528970.db2.gz XBYVGYJOMWTDCW-GFCCVEGCSA-N 0 3 356.411 2.826 20 5 FFBDHN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NC[C@H]1CCCCN1C1CC1 ZINC000447813615 513578218 /nfs/dbraw/zinc/57/82/18/513578218.db2.gz SRJBCVFRMJYBIU-GOSISDBHSA-N 0 3 374.485 2.856 20 5 FFBDHN COC(=O)[C@@H]1CCCCC[C@@H]1NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000451231614 513610605 /nfs/dbraw/zinc/61/06/05/513610605.db2.gz QXSYIIXBVKJIEC-KGLIPLIRSA-N 0 3 363.414 2.553 20 5 FFBDHN CN(C(=O)[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000430298356 513615863 /nfs/dbraw/zinc/61/58/63/513615863.db2.gz GSHXGFFGRMRXQA-MRXNPFEDSA-N 0 3 369.421 2.959 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H](c2ccc(F)c(Cl)c2)C2CC2)c1 ZINC000451354557 513698063 /nfs/dbraw/zinc/69/80/63/513698063.db2.gz NMBQOSZZYUSVNT-CJNGLKHVSA-N 0 3 368.796 2.686 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CCN1Cc1ccccc1 ZINC000430662864 513715150 /nfs/dbraw/zinc/71/51/50/513715150.db2.gz KSFDTVUAOZOSFK-ZBFHGGJFSA-N 0 3 356.426 2.716 20 5 FFBDHN CN1CC[C@H](CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436070263 513751817 /nfs/dbraw/zinc/75/18/17/513751817.db2.gz VLVQYPKVCIBUJH-LLVKDONJSA-N 0 3 371.387 2.641 20 5 FFBDHN CO[C@@H]1[C@H](C)[C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000451504422 513794132 /nfs/dbraw/zinc/79/41/32/513794132.db2.gz SELQYTWTOHZKBM-DFKRKDTASA-N 0 3 355.822 2.836 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H]2CCCN(C[C@@H](O)COCC(F)(F)F)C2)cc1 ZINC000451554154 513829400 /nfs/dbraw/zinc/82/94/00/513829400.db2.gz ZKCUFNCSFVKVHZ-UKRRQHHQSA-N 0 3 362.348 2.714 20 5 FFBDHN COc1cc(C(=O)NCC(C)(C)N2CCC[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000448776251 513892457 /nfs/dbraw/zinc/89/24/57/513892457.db2.gz FJYYAWPFWIKJLF-LBPRGKRZSA-N 0 3 367.421 2.983 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCN1C ZINC000431493324 513911679 /nfs/dbraw/zinc/91/16/79/513911679.db2.gz AYTZPEXLFDBALX-SKDRFNHKSA-N 0 3 356.220 2.570 20 5 FFBDHN CCN1CCC(N(C)C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000448877561 513946518 /nfs/dbraw/zinc/94/65/18/513946518.db2.gz HNXGAMLVQYDFMA-UHFFFAOYSA-N 0 3 357.414 2.541 20 5 FFBDHN C[C@H](Cn1cc(Br)ccc1=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000414091977 513972818 /nfs/dbraw/zinc/97/28/18/513972818.db2.gz LLEWZFOPTRIEFE-LLVKDONJSA-N 0 3 366.215 2.697 20 5 FFBDHN Cc1cc(OCC(=O)N[C@H](Cc2ccccc2)CN(C)C)ccc1[N+](=O)[O-] ZINC000431836428 514014432 /nfs/dbraw/zinc/01/44/32/514014432.db2.gz RFLZKGRCBSZKNE-QGZVFWFLSA-N 0 3 371.437 2.571 20 5 FFBDHN Cc1ccc(C)c(S(=O)(=O)[N-]C(C)(C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000451887782 514047639 /nfs/dbraw/zinc/04/76/39/514047639.db2.gz KFPXZQKYKBINKP-UHFFFAOYSA-N 0 3 357.476 2.610 20 5 FFBDHN O=C1CCc2cc([N+](=O)[O-])c(NC[C@@H]3NCCc4ccccc43)cc2N1 ZINC000420243246 514059188 /nfs/dbraw/zinc/05/91/88/514059188.db2.gz CPNRMRWSPQMPAT-KRWDZBQOSA-N 0 3 352.394 2.778 20 5 FFBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCNC(=O)c1cccc([O-])c1 ZINC000449110166 514075179 /nfs/dbraw/zinc/07/51/79/514075179.db2.gz BELMELBOQHWEFT-AWEZNQCLSA-N 0 3 357.410 2.641 20 5 FFBDHN CCN1CCN(CC(C)(C)NCc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000451993661 514117502 /nfs/dbraw/zinc/11/75/02/514117502.db2.gz UWIINOPJDCYCFN-UHFFFAOYSA-N 0 3 354.882 2.754 20 5 FFBDHN C[C@@H](NC(=O)NC[C@@H]1NCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000417128375 514181734 /nfs/dbraw/zinc/18/17/34/514181734.db2.gz IHJDRMUGQQXUPT-ACJLOTCBSA-N 0 3 354.410 2.842 20 5 FFBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](CO)c1ccc(F)cc1 ZINC000449380423 514187453 /nfs/dbraw/zinc/18/74/53/514187453.db2.gz MYKBKWUCEVSROG-SJCJKPOMSA-N 0 3 361.373 2.774 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000427357026 514193003 /nfs/dbraw/zinc/19/30/03/514193003.db2.gz KQKUPZXHXIIODL-QGZVFWFLSA-N 0 3 369.421 2.950 20 5 FFBDHN Cc1ccc([C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc2)cc1 ZINC000437647254 514203310 /nfs/dbraw/zinc/20/33/10/514203310.db2.gz RHBOJPVNKVFLQE-VQTJNVASSA-N 0 3 366.421 2.840 20 5 FFBDHN COc1cc(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000452121721 514205028 /nfs/dbraw/zinc/20/50/28/514205028.db2.gz KUQPZBSSNPROOY-YWPYICTPSA-N 0 3 365.405 2.545 20 5 FFBDHN CC(C)[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H](CO)C(C)C ZINC000449504572 514232292 /nfs/dbraw/zinc/23/22/92/514232292.db2.gz AASFCZJKLNWWAT-DLBZAZTESA-N 0 3 352.431 2.840 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCO[C@@H](c2ccnn2C)C1 ZINC000449582362 514263065 /nfs/dbraw/zinc/26/30/65/514263065.db2.gz FVXMNLUEXQHNTH-KBXCAEBGSA-N 0 3 360.414 2.737 20 5 FFBDHN CCOc1cc(NC(=O)N2C[C@H](C)NC[C@H]2C)c([N+](=O)[O-])cc1OCC ZINC000414762084 514279685 /nfs/dbraw/zinc/27/96/85/514279685.db2.gz VJOFBRKLSAIJDT-NWDGAFQWSA-N 0 3 366.418 2.606 20 5 FFBDHN CC[C@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000453099768 514545133 /nfs/dbraw/zinc/54/51/33/514545133.db2.gz YPUZKYATGHOAEJ-HNNXBMFYSA-N 0 3 369.468 2.676 20 5 FFBDHN CN(C)C(=O)CCNCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000507930725 514615666 /nfs/dbraw/zinc/61/56/66/514615666.db2.gz NEMMSYILOAJCKR-UHFFFAOYSA-N 0 3 356.426 2.931 20 5 FFBDHN CO[C@H]1C[C@@H](CN2CCCC2)N(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000502608719 514715923 /nfs/dbraw/zinc/71/59/23/514715923.db2.gz VKWKFUQBCIYRJT-KBPBESRZSA-N 0 3 353.850 2.933 20 5 FFBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000508342018 514749551 /nfs/dbraw/zinc/74/95/51/514749551.db2.gz JTCSABFOQZVDNW-KBPBESRZSA-N 0 3 351.472 2.924 20 5 FFBDHN Cc1cc(N2CCN(C3CCN(C)CC3)[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000461937931 514796853 /nfs/dbraw/zinc/79/68/53/514796853.db2.gz WFKPXBHKUOHDFM-CQSZACIVSA-N 0 3 350.438 2.647 20 5 FFBDHN CCn1nc(C)c([N+](=O)[O-])c1NCCc1ccc(OCCN(C)C)cc1 ZINC000479993859 514802167 /nfs/dbraw/zinc/80/21/67/514802167.db2.gz WHRCXGOFSUSLAF-UHFFFAOYSA-N 0 3 361.446 2.715 20 5 FFBDHN O=[N+]([O-])c1cccc2ncnc(NC[C@H](c3ccco3)N3CCCC3)c21 ZINC000509056486 515004528 /nfs/dbraw/zinc/00/45/28/515004528.db2.gz JRNKTXOZCMAXIH-OAHLLOKOSA-N 0 3 353.382 2.802 20 5 FFBDHN Cc1ccc(C)c(S(=O)(=O)NCC[C@H](C)N2CCCCC2)c1[N+](=O)[O-] ZINC000480695585 515047215 /nfs/dbraw/zinc/04/72/15/515047215.db2.gz SDMJBSHSZCARSO-HNNXBMFYSA-N 0 3 369.487 2.754 20 5 FFBDHN C[C@H](NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000467834310 515141650 /nfs/dbraw/zinc/14/16/50/515141650.db2.gz QLPVBRUPAPDUKI-HXPMCKFVSA-N 0 3 368.393 2.500 20 5 FFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C[C@H]1C ZINC000480985833 515162030 /nfs/dbraw/zinc/16/20/30/515162030.db2.gz WEWGXMOYPHHDIX-HIFRSBDPSA-N 0 3 369.487 2.705 20 5 FFBDHN CCOc1ccc(C(=O)Nc2ccc3c(c2)CNCCO3)cc1[N+](=O)[O-] ZINC000462890894 515286185 /nfs/dbraw/zinc/28/61/85/515286185.db2.gz ZLYZWLFACPTRBN-UHFFFAOYSA-N 0 3 357.366 2.728 20 5 FFBDHN Cc1c([C@@H](C)NC[C@H](O)COc2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000481554756 515377240 /nfs/dbraw/zinc/37/72/40/515377240.db2.gz CBGZCFJZGCYGTN-KGLIPLIRSA-N 0 3 374.393 2.722 20 5 FFBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NCCN2CCCC2(C)C)cc1OC ZINC000457076623 515630230 /nfs/dbraw/zinc/63/02/30/515630230.db2.gz OCCNAJFNCHHXEV-UHFFFAOYSA-N 0 3 365.430 2.606 20 5 FFBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000457110643 515658044 /nfs/dbraw/zinc/65/80/44/515658044.db2.gz HZDUORODRDHWOM-GFCCVEGCSA-N 0 3 370.247 2.912 20 5 FFBDHN C[C@@H](CCCc1cccnc1)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000459643889 515716337 /nfs/dbraw/zinc/71/63/37/515716337.db2.gz OVVPBUKWFVCOFT-HNNXBMFYSA-N 0 3 368.437 2.880 20 5 FFBDHN C[C@@H](NC1(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CCOCC1)c1ccccc1 ZINC000500466978 515725678 /nfs/dbraw/zinc/72/56/78/515725678.db2.gz SJLIWRIIIYYIIG-CQSZACIVSA-N 0 3 372.425 2.553 20 5 FFBDHN CCOc1cc(CNC2(C(N)=O)C3CC4CC(C3)CC2C4)ccc1[N+](=O)[O-] ZINC000459785839 515804536 /nfs/dbraw/zinc/80/45/36/515804536.db2.gz ZQSGYFSNPLKJPA-UHFFFAOYSA-N 0 3 373.453 2.763 20 5 FFBDHN COC(=O)COc1ccc(CN[C@H]2CC(C)(C)OC2(C)C)cc1[N+](=O)[O-] ZINC000473990404 515833295 /nfs/dbraw/zinc/83/32/95/515833295.db2.gz VIWYPLHGUCHHEP-HNNXBMFYSA-N 0 3 366.414 2.582 20 5 FFBDHN Cc1ccsc1[C@@H](CO)NCCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000494685171 515922793 /nfs/dbraw/zinc/92/27/93/515922793.db2.gz IQPNSSBLFXQJDT-CQSZACIVSA-N 0 3 363.439 2.925 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000487925648 516035539 /nfs/dbraw/zinc/03/55/39/516035539.db2.gz WVQYQZZDGFOOKU-XHDPSFHLSA-N 0 3 366.849 2.573 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCC2(N(C)C)Cc3ccccc3C2)c1 ZINC000460222867 516075488 /nfs/dbraw/zinc/07/54/88/516075488.db2.gz AHNNPGAYPACLKZ-UHFFFAOYSA-N 0 3 353.422 2.732 20 5 FFBDHN COCCN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCC[C@H]1C ZINC000488075548 516106333 /nfs/dbraw/zinc/10/63/33/516106333.db2.gz ORWNDZLMNVGGEE-RHSMWYFYSA-N 0 3 361.442 2.621 20 5 FFBDHN C[C@H]1C[C@H]1N1CCN(c2ncc(Br)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488727238 516295276 /nfs/dbraw/zinc/29/52/76/516295276.db2.gz WJRGMUKMWKPYDJ-GMXVVIOVSA-N 0 3 369.263 2.919 20 5 FFBDHN CN(C)C1(CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CCCCC1 ZINC000497516568 516324977 /nfs/dbraw/zinc/32/49/77/516324977.db2.gz QFLCMEHUUYJVFI-UHFFFAOYSA-N 0 3 355.460 2.675 20 5 FFBDHN CCCN(CCN1CCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000554354845 516401436 /nfs/dbraw/zinc/40/14/36/516401436.db2.gz OHLKVPYRDCYWBN-UHFFFAOYSA-N 0 3 350.419 2.943 20 5 FFBDHN Cc1cccc(NCCN[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000540220214 516482444 /nfs/dbraw/zinc/48/24/44/516482444.db2.gz LDZQCZUAGSXOBL-AWEZNQCLSA-N 0 3 357.414 2.717 20 5 FFBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000558024814 516555568 /nfs/dbraw/zinc/55/55/68/516555568.db2.gz HGBIIFBWBIBQFB-IJEWVQPXSA-N 0 3 361.442 2.796 20 5 FFBDHN Cn1cnc2cc(CN3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)ccc21 ZINC000540481849 516575646 /nfs/dbraw/zinc/57/56/46/516575646.db2.gz NYJVTFHKTGSXOB-CQSZACIVSA-N 0 3 352.398 2.563 20 5 FFBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H](C)C1 ZINC000561760649 516753978 /nfs/dbraw/zinc/75/39/78/516753978.db2.gz IGDWIAYLRLJGFQ-DCGLDWPTSA-N 0 3 356.426 2.878 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000525024174 516898961 /nfs/dbraw/zinc/89/89/61/516898961.db2.gz PEYWHOFOWPWRPG-OBJOEFQTSA-N 0 3 369.849 2.814 20 5 FFBDHN CN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@H]1CCN(C2CC2)C1 ZINC000514225988 516911470 /nfs/dbraw/zinc/91/14/70/516911470.db2.gz FYDRUIHQMZTTBT-LBPRGKRZSA-N 0 3 355.341 2.505 20 5 FFBDHN CCc1ccc([C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])N(CC)CC)cc1 ZINC000562187187 516949467 /nfs/dbraw/zinc/94/94/67/516949467.db2.gz WRFUSKFLHHSWOR-HNNXBMFYSA-N 0 3 359.430 2.693 20 5 FFBDHN CC[C@H](C[C@@H](C)CC)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536857112 516957001 /nfs/dbraw/zinc/95/70/01/516957001.db2.gz IQOGZZDQLQGLLP-UONOGXRCSA-N 0 3 357.476 2.678 20 5 FFBDHN COc1ccc(-c2ccc(CNCCCn3ccnn3)o2)c([N+](=O)[O-])c1 ZINC000541372268 517015429 /nfs/dbraw/zinc/01/54/29/517015429.db2.gz UDMBCWSBVAVHOP-UHFFFAOYSA-N 0 3 357.370 2.635 20 5 FFBDHN CC(C)CN1CCCC[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533048145 517267622 /nfs/dbraw/zinc/26/76/22/517267622.db2.gz JSNRHVVWLGOUAT-CYBMUJFWSA-N 0 3 363.414 2.564 20 5 FFBDHN Cc1ccc([C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)N(C)C)cc1 ZINC000520064840 517269623 /nfs/dbraw/zinc/26/96/23/517269623.db2.gz JISBSIFWEKWLLD-INIZCTEOSA-N 0 3 360.389 2.657 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc(CN3CCN(C)CC3)cc2)n1 ZINC000541931973 517298124 /nfs/dbraw/zinc/29/81/24/517298124.db2.gz GOPBSRHHPQKOJS-UHFFFAOYSA-N 0 3 369.469 2.966 20 5 FFBDHN CCCc1n[nH]c(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)c1[N+](=O)[O-] ZINC000520303995 517337886 /nfs/dbraw/zinc/33/78/86/517337886.db2.gz RTWYVGSWVBHTPV-HNNXBMFYSA-N 0 3 359.430 2.612 20 5 FFBDHN C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H](c1ccccc1)N(C)C ZINC000546024244 517496932 /nfs/dbraw/zinc/49/69/32/517496932.db2.gz MWFNMQPKDAVYRI-XIKOKIGWSA-N 0 3 371.393 2.745 20 5 FFBDHN CCN1CCN(CCNc2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000549466944 517578811 /nfs/dbraw/zinc/57/88/11/517578811.db2.gz MIVGSKLYKFGJDH-UHFFFAOYSA-N 0 3 360.380 2.971 20 5 FFBDHN C[C@]1(Cc2cccc(F)c2)CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000563069211 517632007 /nfs/dbraw/zinc/63/20/07/517632007.db2.gz SDAMWJBTHGWBAT-LJQANCHMSA-N 0 3 359.401 2.993 20 5 FFBDHN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCCN(C)C3CC3)cc2[N+](=O)[O-])C1 ZINC000521408256 517718756 /nfs/dbraw/zinc/71/87/56/517718756.db2.gz AZUNICVBHTWANF-HUUCEWRRSA-N 0 3 374.485 2.901 20 5 FFBDHN C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1=CCN(C)CC1 ZINC000542826125 517769385 /nfs/dbraw/zinc/76/93/85/517769385.db2.gz JFIBVLBNKYBZRJ-OAHLLOKOSA-N 0 3 372.469 2.578 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](Cc2ccccc2)N(C)C)c1 ZINC000542948518 517832570 /nfs/dbraw/zinc/83/25/70/517832570.db2.gz ZWHZMQNGVPFBQU-INIZCTEOSA-N 0 3 357.410 2.966 20 5 FFBDHN C[C@H]1C[C@H]1N1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H](C)C1 ZINC000553783336 517901149 /nfs/dbraw/zinc/90/11/49/517901149.db2.gz OZMWPIGUTHHVIB-CKFHNAJUSA-N 0 3 370.453 2.807 20 5 FFBDHN CCC[C@@H](C)[C@@H](CC)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000539073134 517902275 /nfs/dbraw/zinc/90/22/75/517902275.db2.gz NYFNKUXDBFHWFA-ZIAGYGMSSA-N 0 3 357.476 2.678 20 5 FFBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000522180999 518021533 /nfs/dbraw/zinc/02/15/33/518021533.db2.gz BMYXTGMVZVJGMN-SFHVURJKSA-N 0 3 368.437 2.561 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCNCc2cncc(Br)c2)cc1 ZINC000547341579 518089058 /nfs/dbraw/zinc/08/90/58/518089058.db2.gz VKAPURBLJKNCPQ-UHFFFAOYSA-N 0 3 352.188 2.921 20 5 FFBDHN COc1ccc(OCCN2CC[C@H](C(C)(C)C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000543476704 518111362 /nfs/dbraw/zinc/11/13/62/518111362.db2.gz TZXHBOVOQKCFPL-GOEBONIOSA-N 0 3 352.431 2.711 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCCc2cc3ccccc3o2)c1 ZINC000563881691 518213148 /nfs/dbraw/zinc/21/31/48/518213148.db2.gz NBQNFCQARJXRAM-MRXNPFEDSA-N 0 3 356.378 2.913 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1 ZINC000572870143 518399636 /nfs/dbraw/zinc/39/96/36/518399636.db2.gz DDBDRCMXQDIIGS-RBSFLKMASA-N 0 3 352.456 2.927 20 5 FFBDHN CCN(C[C@@H]1CCCN1CC)C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000581685636 518406978 /nfs/dbraw/zinc/40/69/78/518406978.db2.gz VTZBJBSJEPUYPR-ZDUSSCGKSA-N 0 3 365.430 2.558 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1ccnc(C(F)(F)F)c1 ZINC000570202525 518492548 /nfs/dbraw/zinc/49/25/48/518492548.db2.gz MRUBAQFTSSWGPL-GFCCVEGCSA-N 0 3 371.315 2.538 20 5 FFBDHN O=C(CCN1CCc2ccccc2C1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000573222528 518564046 /nfs/dbraw/zinc/56/40/46/518564046.db2.gz NEDROTKWDVMQSU-UHFFFAOYSA-N 0 3 369.421 2.538 20 5 FFBDHN O=[N+]([O-])c1ccccc1OCCN(Cc1ccccc1)[C@]1(CO)CCOC1 ZINC000585718506 518573810 /nfs/dbraw/zinc/57/38/10/518573810.db2.gz JEEGKIGWMUKVNG-FQEVSTJZSA-N 0 3 372.421 2.627 20 5 FFBDHN COc1ccc(CNC[C@@H](O)COc2cccc3[nH]ccc32)cc1[N+](=O)[O-] ZINC000567661755 518638586 /nfs/dbraw/zinc/63/85/86/518638586.db2.gz DBKYYPHBALNKMD-CQSZACIVSA-N 0 3 371.393 2.614 20 5 FFBDHN CC(C)Cc1ccc([C@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])N(C)C)cc1 ZINC000576662942 518700572 /nfs/dbraw/zinc/70/05/72/518700572.db2.gz MCPQEIYBLJSGCK-INIZCTEOSA-N 0 3 359.430 2.549 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000582840730 518947885 /nfs/dbraw/zinc/94/78/85/518947885.db2.gz IXXBSVNZDHXMMF-LSTHTHJFSA-N 0 3 372.421 2.844 20 5 FFBDHN CCOc1cccc([C@@H]2C[C@H]2NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000565475718 518974524 /nfs/dbraw/zinc/97/45/24/518974524.db2.gz CYLTYBZRVNKMIR-LSTHTHJFSA-N 0 3 372.421 2.879 20 5 FFBDHN NC(=O)c1ccnc(N[C@H](CN2CCCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000589578275 519033486 /nfs/dbraw/zinc/03/34/86/519033486.db2.gz TVTGAERMIPMLMR-MRXNPFEDSA-N 0 3 369.425 2.728 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000565778046 519127505 /nfs/dbraw/zinc/12/75/05/519127505.db2.gz NRWMANNDXLCVAH-RHSMWYFYSA-N 0 3 368.437 2.817 20 5 FFBDHN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CN1C1CC1 ZINC000583666817 519367058 /nfs/dbraw/zinc/36/70/58/519367058.db2.gz SQXBXSHQHPQYIB-DZGCQCFKSA-N 0 3 358.442 2.868 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](c2cccnc2)C1 ZINC000578234702 519488479 /nfs/dbraw/zinc/48/84/79/519488479.db2.gz OCGIEHRYWMLFDF-HNNXBMFYSA-N 0 3 370.409 2.817 20 5 FFBDHN O=C1CCCN1[C@@H]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000591054547 519493902 /nfs/dbraw/zinc/49/39/02/519493902.db2.gz CETXEECNLUISDN-MRXNPFEDSA-N 0 3 361.442 2.841 20 5 FFBDHN COc1c(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000581213265 519579705 /nfs/dbraw/zinc/57/97/05/519579705.db2.gz YBGNYAITGNVNLH-WMLDXEAASA-N 0 3 369.421 2.996 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000602847555 519924467 /nfs/dbraw/zinc/92/44/67/519924467.db2.gz WBKOAXBHGOCMNO-HNNXBMFYSA-N 0 3 366.462 2.934 20 5 FFBDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)Nc1c(C)cncc1[N+](=O)[O-] ZINC000602956796 519992909 /nfs/dbraw/zinc/99/29/09/519992909.db2.gz KMAGKZTYMDORTG-UHFFFAOYSA-N 0 3 371.441 2.836 20 5 FFBDHN Cc1nn(-c2ccccc2Cl)cc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000594497092 520003961 /nfs/dbraw/zinc/00/39/61/520003961.db2.gz BCCLJLFKQOPQCJ-UHFFFAOYSA-N 0 3 360.805 2.729 20 5 FFBDHN O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1nnc([C@H]2CCCO2)[n-]1)C1CC1 ZINC000594513911 520009990 /nfs/dbraw/zinc/00/99/90/520009990.db2.gz UUKNJLORFHAFNU-GOEBONIOSA-N 0 3 357.414 2.675 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCCOc1ccccc1Cl ZINC000591756967 520024138 /nfs/dbraw/zinc/02/41/38/520024138.db2.gz JXRCAQGDPLRVHL-ZDUSSCGKSA-N 0 3 366.801 2.657 20 5 FFBDHN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCNC2(CCCCC2)C1 ZINC000594629017 520061431 /nfs/dbraw/zinc/06/14/31/520061431.db2.gz VYNAYKZQEDKLKD-UHFFFAOYSA-N 0 3 369.425 2.529 20 5 FFBDHN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCCN(c2ccncc2)CC1 ZINC000603084589 520069702 /nfs/dbraw/zinc/06/97/02/520069702.db2.gz UMFCOTFCTYODTP-RBUKOAKNSA-N 0 3 366.421 2.832 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1C ZINC000594792505 520160350 /nfs/dbraw/zinc/16/03/50/520160350.db2.gz RWJVWMOIJIJXCJ-AWEZNQCLSA-N 0 3 369.487 2.610 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CC[N@H+](C(C)(C)C)C2)c1C ZINC000594792505 520160355 /nfs/dbraw/zinc/16/03/55/520160355.db2.gz RWJVWMOIJIJXCJ-AWEZNQCLSA-N 0 3 369.487 2.610 20 5 FFBDHN COc1ccccc1CCN(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000609194743 520226389 /nfs/dbraw/zinc/22/63/89/520226389.db2.gz HQKTVUSXASZKOL-QGZVFWFLSA-N 0 3 360.410 2.518 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC(C)(C)C1(O)CCOCC1 ZINC000595044403 520268449 /nfs/dbraw/zinc/26/84/49/520268449.db2.gz MFNPECZOCXNGFK-ZDUSSCGKSA-N 0 3 352.431 2.822 20 5 FFBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CCCCC2)C1 ZINC000609348287 520289409 /nfs/dbraw/zinc/28/94/09/520289409.db2.gz SIHKMQPHXBUNGF-GOSISDBHSA-N 0 3 360.458 2.874 20 5 FFBDHN CCS(=O)(=O)C1(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000595103490 520296147 /nfs/dbraw/zinc/29/61/47/520296147.db2.gz NXIBWKVJFCCBDK-INIZCTEOSA-N 0 3 352.456 2.919 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C(C)(C)C)C2)cc1SC ZINC000597922668 520324775 /nfs/dbraw/zinc/32/47/75/520324775.db2.gz KKCHHRDRYKNFCQ-NSHDSACASA-N 0 3 367.471 2.928 20 5 FFBDHN CC(C)(C)N1CC[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000597922615 520324847 /nfs/dbraw/zinc/32/48/47/520324847.db2.gz JJOROEVSNABDLX-GFCCVEGCSA-N 0 3 370.247 2.960 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@](C)(CO)c1ccccc1 ZINC000609483905 520326673 /nfs/dbraw/zinc/32/66/73/520326673.db2.gz PUJNASOXFMSUSK-IBGZPJMESA-N 0 3 357.410 2.729 20 5 FFBDHN CC(C)(C)N1CC[C@@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000597926028 520327005 /nfs/dbraw/zinc/32/70/05/520327005.db2.gz ZRILEDGOMYCRJY-CYBMUJFWSA-N 0 3 357.414 2.588 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCCN2CCCC[C@@H]2CN2CCOCC2)cc1 ZINC000609541270 520351626 /nfs/dbraw/zinc/35/16/26/520351626.db2.gz YYIGCSGQYJXLCJ-GOSISDBHSA-N 0 3 363.458 2.550 20 5 FFBDHN CCN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)[C@@H]1CCN(CC)C1 ZINC000598039081 520389167 /nfs/dbraw/zinc/38/91/67/520389167.db2.gz IHSCCKLZEXCTMQ-OAHLLOKOSA-N 0 3 357.414 2.541 20 5 FFBDHN NC(=O)C1(c2ccccc2)CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000609672289 520401811 /nfs/dbraw/zinc/40/18/11/520401811.db2.gz CFDPXYUGTSWYFB-UHFFFAOYSA-N 0 3 353.422 2.656 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)ccc1CN1CCCN(C[C@H]2CCCO2)CC1 ZINC000609710625 520413325 /nfs/dbraw/zinc/41/33/25/520413325.db2.gz CEHYAVKUXUESEZ-MRXNPFEDSA-N 0 3 353.850 2.935 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCc2cccc(CN)c21 ZINC000600721713 520422171 /nfs/dbraw/zinc/42/21/71/520422171.db2.gz FHUDRONNHWZGIJ-UHFFFAOYSA-N 0 3 354.410 2.753 20 5 FFBDHN CC[C@@H](CN1CCCC1)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000609833821 520449462 /nfs/dbraw/zinc/44/94/62/520449462.db2.gz XIBXZJWNJWYTDU-INIZCTEOSA-N 0 3 360.458 2.799 20 5 FFBDHN CN1CCC[C@H](NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000604197940 520481311 /nfs/dbraw/zinc/48/13/11/520481311.db2.gz CBNJSXDEUUNXQG-LBPRGKRZSA-N 0 3 374.363 2.626 20 5 FFBDHN CCOc1cc(N2CCN(C[C@@H](OC)C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000595463639 520487789 /nfs/dbraw/zinc/48/77/89/520487789.db2.gz BICADOCOZFUCDD-LJQANCHMSA-N 0 3 363.458 2.931 20 5 FFBDHN CCOc1cc(CN2CCC[C@@H](N3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000595473004 520493170 /nfs/dbraw/zinc/49/31/70/520493170.db2.gz RZUDLFWBRNIKPW-QGZVFWFLSA-N 0 3 363.458 2.680 20 5 FFBDHN COc1ccc(OCCN[C@@H](C(C)C)[C@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000595484392 520500530 /nfs/dbraw/zinc/50/05/30/520500530.db2.gz ZYTNCYDLADXBTE-KBPBESRZSA-N 0 3 366.336 2.520 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C)CN2CCC(C)CC2)c1 ZINC000598261527 520525474 /nfs/dbraw/zinc/52/54/74/520525474.db2.gz GIJYRVCLGHNJIV-MRXNPFEDSA-N 0 3 363.458 2.909 20 5 FFBDHN CCCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000592833217 520607664 /nfs/dbraw/zinc/60/76/64/520607664.db2.gz WRSXGMPYCOWGCC-JSGCOSHPSA-N 0 3 369.849 2.958 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000592879805 520629582 /nfs/dbraw/zinc/62/95/82/520629582.db2.gz DFTIMJICGYZSFI-SJORKVTESA-N 0 3 353.422 2.978 20 5 FFBDHN Cc1c(C(=O)N2CC3(CCCC3)OC[C@@H]2CN(C)C)cccc1[N+](=O)[O-] ZINC000598536787 520687210 /nfs/dbraw/zinc/68/72/10/520687210.db2.gz WVYHJAGBLGSPBW-HNNXBMFYSA-N 0 3 361.442 2.619 20 5 FFBDHN C[C@H](N[C@@H]1CCC[C@H]1Cc1cnn(C)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595768715 520711123 /nfs/dbraw/zinc/71/11/23/520711123.db2.gz GOZVLGWCLQZWLG-CWRNSKLLSA-N 0 3 371.441 2.656 20 5 FFBDHN C[C@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000593057757 520712760 /nfs/dbraw/zinc/71/27/60/520712760.db2.gz HRNICKPIWVLSHJ-CQSZACIVSA-N 0 3 359.401 2.913 20 5 FFBDHN CC[C@H]1COC(C)(C)CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000593056398 520713561 /nfs/dbraw/zinc/71/35/61/520713561.db2.gz HXJLVXPYIQZRIE-ZDUSSCGKSA-N 0 3 365.430 2.821 20 5 FFBDHN O=C(Nc1cccc(CN2CCC(O)CC2)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000601278246 520719379 /nfs/dbraw/zinc/71/93/79/520719379.db2.gz CMHZZNIBSVNPCY-UHFFFAOYSA-N 0 3 373.384 2.943 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595790883 520727397 /nfs/dbraw/zinc/72/73/97/520727397.db2.gz ZJUCSCFRNMUJNU-JZXOWHBKSA-N 0 3 364.442 2.616 20 5 FFBDHN Cc1cc(C(=O)N2CC[C@@H](OCCN3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000610733136 520819814 /nfs/dbraw/zinc/81/98/14/520819814.db2.gz HFTBNDFJIDEDLR-QGZVFWFLSA-N 0 3 361.442 2.620 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000610733142 520820025 /nfs/dbraw/zinc/82/00/25/520820025.db2.gz KJPGZQUHSCRVRR-QGZVFWFLSA-N 0 3 361.442 2.620 20 5 FFBDHN O=[N+]([O-])c1cc(N2CCN([C@H]3CCC[C@@H]3O)CC2)ccc1C(F)(F)F ZINC000596112273 520920446 /nfs/dbraw/zinc/92/04/46/520920446.db2.gz LUCNIVRMTIHCMX-ZFWWWQNUSA-N 0 3 359.348 2.649 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596140017 520934840 /nfs/dbraw/zinc/93/48/40/520934840.db2.gz AMLQPHFKMMACSR-OAHLLOKOSA-N 0 3 368.437 2.795 20 5 FFBDHN CC[C@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CCN1Cc1ccccc1 ZINC000596191952 520962502 /nfs/dbraw/zinc/96/25/02/520962502.db2.gz IRPYGGLLVOOJOJ-INIZCTEOSA-N 0 3 368.437 2.795 20 5 FFBDHN O=[N+]([O-])c1c2ccncc2ccc1N1CCC(CN2CCOCC2)CC1 ZINC000599026319 520987686 /nfs/dbraw/zinc/98/76/86/520987686.db2.gz UJLCUBLHHIHBPZ-UHFFFAOYSA-N 0 3 356.426 2.692 20 5 FFBDHN CC(C)N1CCN([C@@H]2CCN(c3ccc4cnccc4c3[N+](=O)[O-])C2)CC1 ZINC000599055331 521004151 /nfs/dbraw/zinc/00/41/51/521004151.db2.gz DYNFLVPNTCRDMM-QGZVFWFLSA-N 0 3 369.469 2.748 20 5 FFBDHN CC[C@H](NC[C@@H]1CN(Cc2ccncc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000599088372 521025326 /nfs/dbraw/zinc/02/53/26/521025326.db2.gz QMJZTOHMDLAVSO-UXHICEINSA-N 0 3 370.453 2.932 20 5 FFBDHN CC(C)N1CCN(C2CCN(Cc3csc([N+](=O)[O-])c3)CC2)CC1 ZINC000611181200 521027099 /nfs/dbraw/zinc/02/70/99/521027099.db2.gz TWEJKDQTNVLXQB-UHFFFAOYSA-N 0 3 352.504 2.647 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCc2cccc(CN)c21 ZINC000599104235 521033503 /nfs/dbraw/zinc/03/35/03/521033503.db2.gz UCRCNIODDVARET-UHFFFAOYSA-N 0 3 361.423 2.503 20 5 FFBDHN C[C@@](O)(C[C@@H](O)CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000601966128 521044290 /nfs/dbraw/zinc/04/42/90/521044290.db2.gz PZOBNKWUYGXIKI-HUUCEWRRSA-N 0 3 362.348 2.615 20 5 FFBDHN Cc1nn(C)c(N2CCN(Cc3ccccc3)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000599143697 521053337 /nfs/dbraw/zinc/05/33/37/521053337.db2.gz VJHFFUMLRPLNBC-QGZVFWFLSA-N 0 3 357.458 2.984 20 5 FFBDHN COc1cc(NCc2ccc(CN3CC[C@@H](O)C3)cc2)ccc1[N+](=O)[O-] ZINC000596423630 521062443 /nfs/dbraw/zinc/06/24/43/521062443.db2.gz MYEHOPZBWDRGNN-QGZVFWFLSA-N 0 3 357.410 2.782 20 5 FFBDHN CN1CC[C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000593559781 521076502 /nfs/dbraw/zinc/07/65/02/521076502.db2.gz NMFMADGXWJCLPV-APWZRJJASA-N 0 3 357.385 2.838 20 5 FFBDHN O=[N+]([O-])c1cc(CN[C@@H]2CCCS(=O)(=O)CC2)cc(C(F)(F)F)c1 ZINC000602017551 521081564 /nfs/dbraw/zinc/08/15/64/521081564.db2.gz PBKPMWFCJYAKBP-GFCCVEGCSA-N 0 3 366.361 2.671 20 5 FFBDHN CC1(C)[C@H](c2cccc(F)c2)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599629783 521342090 /nfs/dbraw/zinc/34/20/90/521342090.db2.gz MHPFWEWUHGKZAV-IRXDYDNUSA-N 0 3 362.405 2.559 20 5 FFBDHN CC(C)OC(=O)C[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)C ZINC000594039805 521366729 /nfs/dbraw/zinc/36/67/29/521366729.db2.gz IVAHIHUKTWONAR-INIZCTEOSA-N 0 3 366.414 2.917 20 5 FFBDHN O=C([N-]c1ncc(C2CC[NH2+]CC2)s1)c1c(F)cccc1[N+](=O)[O-] ZINC000602508833 521386089 /nfs/dbraw/zinc/38/60/89/521386089.db2.gz BNINXDHADNJERG-UHFFFAOYSA-N 0 3 350.375 2.910 20 5 FFBDHN CCC1(N2CCOCC2)CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000599670461 521386158 /nfs/dbraw/zinc/38/61/58/521386158.db2.gz WHYXHLUKNLQCPL-UHFFFAOYSA-N 0 3 363.458 2.550 20 5 FFBDHN Cc1cc(N2CCN(C[C@@H]3CCCO3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000611918564 521392801 /nfs/dbraw/zinc/39/28/01/521392801.db2.gz CUCDJBZUHWZFNX-INIZCTEOSA-N 0 3 356.426 2.752 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@H]1NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602568320 521415553 /nfs/dbraw/zinc/41/55/53/521415553.db2.gz JPKZCOGVYAIJRH-QPUJVOFHSA-N 0 3 360.277 2.991 20 5 FFBDHN CCc1noc(CC)c1CNC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602573731 521417486 /nfs/dbraw/zinc/41/74/86/521417486.db2.gz MHKMRVHFQPLRRA-UHFFFAOYSA-N 0 3 359.430 2.861 20 5 FFBDHN COc1cnccc1[C@@H](C)NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602626155 521444280 /nfs/dbraw/zinc/44/42/80/521444280.db2.gz JFBVQQIEOZOVMZ-CYBMUJFWSA-N 0 3 357.414 2.713 20 5 FFBDHN O=[N+]([O-])c1sc(CNC2(CO)CCSCC2)cc1Br ZINC000602692724 521480297 /nfs/dbraw/zinc/48/02/97/521480297.db2.gz YLAFZCOJPVFALZ-UHFFFAOYSA-N 0 3 367.290 2.767 20 5 FFBDHN CC(C)(CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@]1(O)CCOC1 ZINC000602695102 521483808 /nfs/dbraw/zinc/48/38/08/521483808.db2.gz DOUKYOMIAFDIHT-HNNXBMFYSA-N 0 3 362.348 2.881 20 5 FFBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597093488 521499834 /nfs/dbraw/zinc/49/98/34/521499834.db2.gz WNMLMKJSNWUYQB-PWSUYJOCSA-N 0 3 367.837 2.921 20 5 FFBDHN C[C@H](CN1CCCCC1)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597095141 521500908 /nfs/dbraw/zinc/50/09/08/521500908.db2.gz YQHAKOICCOSQIW-SNVBAGLBSA-N 0 3 355.826 2.826 20 5 FFBDHN Nc1c(NC(=O)N2CC[C@@H](N3CCCC3)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597095312 521501370 /nfs/dbraw/zinc/50/13/70/521501370.db2.gz RYYYPPMBGFIGFE-LLVKDONJSA-N 0 3 353.810 2.532 20 5 FFBDHN CN(C[C@H]1CCCN(C)C1)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597097206 521503080 /nfs/dbraw/zinc/50/30/80/521503080.db2.gz DTNWBHOUPCWYJI-JTQLQIEISA-N 0 3 355.826 2.636 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CNCCc1ccc(F)c(F)c1)OCCO2 ZINC000615727015 521514244 /nfs/dbraw/zinc/51/42/44/521514244.db2.gz IUQRNWRVWXCNKA-UHFFFAOYSA-N 0 3 350.321 2.977 20 5 FFBDHN Cc1nccn1-c1ccc([C@H](C)NCCn2c(C)ncc2[N+](=O)[O-])cc1 ZINC000602807685 521543407 /nfs/dbraw/zinc/54/34/07/521543407.db2.gz ZSZXVEHYJRIHJT-ZDUSSCGKSA-N 0 3 354.414 2.945 20 5 FFBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@H](O)CN(C)Cc1ccccc1 ZINC000619785175 521872380 /nfs/dbraw/zinc/87/23/80/521872380.db2.gz KINPGUSMGVLRKO-FQEVSTJZSA-N 0 3 357.454 2.562 20 5 FFBDHN C[C@@H]1CCC[N@@H+](C(C)(C)CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736267995 598368055 /nfs/dbraw/zinc/36/80/55/598368055.db2.gz VUHPMPIIHYHJMU-GFCCVEGCSA-N 0 3 359.434 2.697 20 5 FFBDHN C[C@@H]1CCC[N@H+](C(C)(C)CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736267995 598368057 /nfs/dbraw/zinc/36/80/57/598368057.db2.gz VUHPMPIIHYHJMU-GFCCVEGCSA-N 0 3 359.434 2.697 20 5 FFBDHN C[C@@H]1CCC[N@@H+](C(C)(C)CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736267995 598368058 /nfs/dbraw/zinc/36/80/58/598368058.db2.gz VUHPMPIIHYHJMU-GFCCVEGCSA-N 0 3 359.434 2.697 20 5 FFBDHN C[C@@H]1CCC[N@H+](C(C)(C)CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736267995 598368061 /nfs/dbraw/zinc/36/80/61/598368061.db2.gz VUHPMPIIHYHJMU-GFCCVEGCSA-N 0 3 359.434 2.697 20 5 FFBDHN C[NH+](C)CCc1ccc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000736771489 598501936 /nfs/dbraw/zinc/50/19/36/598501936.db2.gz NNIFLRJQFXEBHT-UHFFFAOYSA-N 0 3 353.386 2.623 20 5 FFBDHN C[NH+](C)CCc1ccc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000736771489 598501937 /nfs/dbraw/zinc/50/19/37/598501937.db2.gz NNIFLRJQFXEBHT-UHFFFAOYSA-N 0 3 353.386 2.623 20 5 FFBDHN O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000826499564 608527338 /nfs/dbraw/zinc/52/73/38/608527338.db2.gz NNAHRHDZMFWBPD-GOSISDBHSA-N 0 3 364.409 2.985 20 5 FFBDHN O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000826499564 608527340 /nfs/dbraw/zinc/52/73/40/608527340.db2.gz NNAHRHDZMFWBPD-GOSISDBHSA-N 0 3 364.409 2.985 20 5 FFBDHN C[C@@H]1CN(CCCCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H](C)O1 ZINC000119107675 728588005 /nfs/dbraw/zinc/58/80/05/728588005.db2.gz PTEGVJQRUDWOHB-CHWSQXEVSA-N 0 3 369.849 2.867 20 5 FFBDHN C[C@H](N[C@@H]1[C@H](C)O[C@H](C)[C@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000859825705 730466797 /nfs/dbraw/zinc/46/67/97/730466797.db2.gz NLKKVOJYGGJHJE-QSJCVTFJSA-N 0 3 355.822 2.977 20 5 FFBDHN CCNC(=O)N1CC[C@@H](N[C@@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000872047413 731723431 /nfs/dbraw/zinc/72/34/31/731723431.db2.gz BNDKTCBEVRLRPZ-NWDGAFQWSA-N 0 3 352.460 2.771 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)NCCN2CCC(C)(C)C2)cc1SC ZINC000890076333 734261462 /nfs/dbraw/zinc/26/14/62/734261462.db2.gz SZZFPCPAPMPJPH-UHFFFAOYSA-N 0 3 367.471 2.787 20 5 FFBDHN COC1CCN(C(C)(C)CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000730788928 734649922 /nfs/dbraw/zinc/64/99/22/734649922.db2.gz DECNSBPRHGYGTD-UHFFFAOYSA-N 0 3 369.849 2.867 20 5 FFBDHN COc1c(O)ccc(CNC[C@H]2CC[C@@H](C(F)(F)F)O2)c1[N+](=O)[O-] ZINC000896280669 735131338 /nfs/dbraw/zinc/13/13/38/735131338.db2.gz QFODOQBWZVIMGF-KOLCDFICSA-N 0 3 350.293 2.509 20 5 FFBDHN C[C@H](CNCc1c(Br)cnn1C)c1ccccc1[N+](=O)[O-] ZINC000897463707 735238063 /nfs/dbraw/zinc/23/80/63/735238063.db2.gz HLDCZPRNWLCKJS-SNVBAGLBSA-N 0 3 353.220 2.984 20 5 FFBDHN COc1cc([C@H](C)NC[C@@H]2CC[C@]3(CO[C@@H](C)C3)O2)cc([N+](=O)[O-])c1 ZINC000903221761 736058273 /nfs/dbraw/zinc/05/82/73/736058273.db2.gz SRJJOMTTXOQILD-YFPWBOGZSA-N 0 3 350.415 2.981 20 5 FFBDHN O=[N+]([O-])c1cc(CNC[C@@H](O)CC2(O)CCCC2)cc(C(F)(F)F)c1 ZINC000905238346 736316214 /nfs/dbraw/zinc/31/62/14/736316214.db2.gz PLTPDJZMDQKPJR-AWEZNQCLSA-N 0 3 362.348 2.759 20 5 FFBDHN COc1cc(C[NH2+]CC[C@H]2CC[C@@H](C(F)(F)F)O2)c([N+](=O)[O-])cc1[O-] ZINC000922679361 738183562 /nfs/dbraw/zinc/18/35/62/738183562.db2.gz QGEDTSSBXIVPFD-YGRLFVJLSA-N 0 3 364.320 2.899 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000777310870 738277269 /nfs/dbraw/zinc/27/72/69/738277269.db2.gz SVUSMNKJWXMISL-LSDHHAIUSA-N 0 3 367.446 2.694 20 5 FFBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCCCC1 ZINC000778638032 738400426 /nfs/dbraw/zinc/40/04/26/738400426.db2.gz QAIKYWQBJISQTP-NSHDSACASA-N 0 3 357.357 2.800 20 5 FFBDHN C[C@]1(NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCO[C@H]1C1CC1 ZINC000784586959 738905633 /nfs/dbraw/zinc/90/56/33/738905633.db2.gz BSQBXMCJWVXGLZ-HOTGVXAUSA-N 0 3 353.806 2.734 20 5 FFBDHN O=C(NC[C@H]1CCN1C1CCOCC1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000930160742 739067028 /nfs/dbraw/zinc/06/70/28/739067028.db2.gz XWUTVCFAISUQPK-CYBMUJFWSA-N 0 3 368.821 2.623 20 5 FFBDHN CCOC(=O)C1([C@@H](C)NCc2cc(F)ccc2[N+](=O)[O-])CCOCC1 ZINC000933886927 739701291 /nfs/dbraw/zinc/70/12/91/739701291.db2.gz RJRHUBFQKHZPMS-GFCCVEGCSA-N 0 3 354.378 2.572 20 5 FFBDHN CC(COC(=O)COc1ccc(Br)cc1Cl)[N+](=O)[O-] ZINC000813103523 741677363 /nfs/dbraw/zinc/67/73/63/741677363.db2.gz CSUYYVURUDOHSK-ZETCQYMHSA-N 0 3 352.568 2.690 20 5 FFBDHN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813113248 741678518 /nfs/dbraw/zinc/67/85/18/741678518.db2.gz OTFKNVJJXSHNEE-SECBINFHSA-N 0 3 368.187 2.765 20 5 FFBDHN Cc1sc2nc(C)nc(SCC(=O)OCC(C)[N+](=O)[O-])c2c1C ZINC000813115734 741678776 /nfs/dbraw/zinc/67/87/76/741678776.db2.gz YVMPECWEVRJLKI-SSDOTTSWSA-N 0 3 355.441 2.917 20 5 FFBDHN CC(COC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1)[N+](=O)[O-] ZINC000813114252 741678831 /nfs/dbraw/zinc/67/88/31/741678831.db2.gz OKFVXKZHEKCTFW-SECBINFHSA-N 0 3 350.762 2.620 20 5 FFBDHN C[NH+](C)[C@@H](CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1cccs1 ZINC000821581009 742643554 /nfs/dbraw/zinc/64/35/54/742643554.db2.gz ATXYIUPHXGQAHU-ZDUSSCGKSA-N 0 3 359.415 2.551 20 5 FFBDHN CCN(C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000822138858 742701801 /nfs/dbraw/zinc/70/18/01/742701801.db2.gz MJZOSJCKYLVOIF-LLVKDONJSA-N 0 3 371.235 2.915 20 5 FFBDHN CC(C)(C)OC(=O)[C@]1(C)CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000839105063 746775840 /nfs/dbraw/zinc/77/58/40/746775840.db2.gz OEICIYCKWSHDSF-MAUKXSAKSA-N 0 3 350.415 2.682 20 5 FFBDHN CC([C@@H](OC(=O)CCOC[C@H]1CCCO1)c1ccccc1F)[N+](=O)[O-] ZINC000845872915 748340771 /nfs/dbraw/zinc/34/07/71/748340771.db2.gz ACHPUYXUDIPCEV-PBFPGSCMSA-N 0 3 355.362 2.661 20 5 FFBDHN COCc1nc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cs1 ZINC000845878081 748342958 /nfs/dbraw/zinc/34/29/58/748342958.db2.gz TVPSCMNCTLGBMA-LKFCYVNXSA-N 0 3 354.359 2.992 20 5 FFBDHN CSc1c(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cnn1C ZINC000845877036 748343042 /nfs/dbraw/zinc/34/30/42/748343042.db2.gz DMXQGCADQYINEB-NOZJJQNGSA-N 0 3 353.375 2.844 20 5 FFBDHN CC([C@@H](OC(=O)Cc1cn(C)nc1Cl)c1ccccc1F)[N+](=O)[O-] ZINC000845879320 748343384 /nfs/dbraw/zinc/34/33/84/748343384.db2.gz IPGLZMUSYSJRCZ-LKFCYVNXSA-N 0 3 355.753 2.705 20 5 FFBDHN CC([C@@H](OC(=O)c1cn(C(C)(C)C)nn1)c1ccccc1F)[N+](=O)[O-] ZINC000845883299 748343786 /nfs/dbraw/zinc/34/37/86/748343786.db2.gz RQAIMEBTFUUHSP-QMTHXVAHSA-N 0 3 350.350 2.736 20 5 FFBDHN C[C@H](NC[C@H](O)c1cc(F)c(F)c(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850581375 749389331 /nfs/dbraw/zinc/38/93/31/749389331.db2.gz VPMJIGNEOTYPMA-AYVTZFPOSA-N 0 3 355.316 2.979 20 5 FFBDHN CCOC(=O)[C@@H]1CC[C@H](C)N(C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000852203490 749800735 /nfs/dbraw/zinc/80/07/35/749800735.db2.gz BXTUINBNMCENNP-IXKJSCDLSA-N 0 3 350.415 2.680 20 5 FFBDHN C[C@H](C[N@H+](C)Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824414164 946699696 /nfs/dbraw/zinc/69/96/96/946699696.db2.gz VXWZSRUILTUQOR-CYBMUJFWSA-N 0 3 367.413 2.707 20 5 FFBDHN C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824414164 946699702 /nfs/dbraw/zinc/69/97/02/946699702.db2.gz VXWZSRUILTUQOR-CYBMUJFWSA-N 0 3 367.413 2.707 20 5 FFBDHN COC(=O)C[C@@](C)(NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC001175522233 1013497299 /nfs/dbraw/zinc/49/72/99/1013497299.db2.gz FBWQLOBRTOZJNN-MRXNPFEDSA-N 0 3 369.805 2.508 20 5 FFBDHN COC(=O)C[C@](C)(NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC001175522231 1013497331 /nfs/dbraw/zinc/49/73/31/1013497331.db2.gz FBWQLOBRTOZJNN-INIZCTEOSA-N 0 3 369.805 2.508 20 5 FFBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000874847389 1013917685 /nfs/dbraw/zinc/91/76/85/1013917685.db2.gz PBMBBLHGKQLCHA-RTBURBONSA-N 0 3 372.469 2.894 20 5 FFBDHN Cn1ccnc1[C@@H](Cc1ccccc1)NC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877612629 1014645067 /nfs/dbraw/zinc/64/50/67/1014645067.db2.gz MGHVZFPKNMIUKA-LEOMRAHMSA-N 0 3 366.425 2.802 20 5 FFBDHN Cn1ccnc1[C@H](NCCN1CCC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000898035091 982599886 /nfs/dbraw/zinc/59/98/86/982599886.db2.gz KPPDMGAVSNNLQS-QGZVFWFLSA-N 0 3 357.458 2.739 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000324062828 986609067 /nfs/dbraw/zinc/60/90/67/986609067.db2.gz WQPVFDSIHIBCIK-OAHLLOKOSA-N 0 3 368.437 2.771 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000130496432 990543657 /nfs/dbraw/zinc/54/36/57/990543657.db2.gz RQHHCUBFEMVIRU-INIZCTEOSA-N 0 3 369.469 2.901 20 5 FFBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000923308299 991045789 /nfs/dbraw/zinc/04/57/89/991045789.db2.gz BLRSNUXRAAZNND-GOEBONIOSA-N 0 3 358.442 2.504 20 5 FFBDHN CN(C)CCN(Cc1ccccn1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000730547833 997278782 /nfs/dbraw/zinc/27/87/82/997278782.db2.gz JAJYUGYZPJYSIY-FLIBITNWSA-N 0 3 354.410 2.593 20 5 FFBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)C1 ZINC001169025130 1000018084 /nfs/dbraw/zinc/01/80/84/1000018084.db2.gz XUGAKPVNMMPPLI-ICBNADEASA-N 0 3 352.475 2.870 20 5 FFBDHN COc1ccc(C[C@@H](C)NCc2ccnc(OC(C)C)n2)c([N+](=O)[O-])c1 ZINC001170323692 1003111786 /nfs/dbraw/zinc/11/17/86/1003111786.db2.gz LKZYHXKNHSUNOE-CYBMUJFWSA-N 0 3 360.414 2.901 20 5 FFBDHN COc1ccc(C[C@@H](C)NCc2ccnc(OCC3CC3)n2)c([N+](=O)[O-])c1 ZINC001170324161 1003111865 /nfs/dbraw/zinc/11/18/65/1003111865.db2.gz PHPAPWGSNXETAK-CYBMUJFWSA-N 0 3 372.425 2.903 20 5 FFBDHN COc1ccc(C[C@@H](C)N[C@H](CO)c2ccccc2OC)c([N+](=O)[O-])c1 ZINC001170326558 1003113822 /nfs/dbraw/zinc/11/38/22/1003113822.db2.gz MNUDBFCJIXRREV-CXAGYDPISA-N 0 3 360.410 2.866 20 5 FFBDHN COc1ccc(C[C@@H](C)N2CCC3(CCC(=O)N3C)CC2)c([N+](=O)[O-])c1 ZINC001170354795 1003122940 /nfs/dbraw/zinc/12/29/40/1003122940.db2.gz PDWYPWLRFZFPMS-CQSZACIVSA-N 0 3 361.442 2.621 20 5 FFBDHN COc1ccc(C[C@H](C)N2CCC3(CCC(=O)N3C)CC2)c([N+](=O)[O-])c1 ZINC001170354794 1003123215 /nfs/dbraw/zinc/12/32/15/1003123215.db2.gz PDWYPWLRFZFPMS-AWEZNQCLSA-N 0 3 361.442 2.621 20 5 FFBDHN CCOCCN(CCOCC)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170348489 1003134223 /nfs/dbraw/zinc/13/42/23/1003134223.db2.gz XSSXFHPJPKENEN-HNNXBMFYSA-N 0 3 354.447 2.909 20 5 FFBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1OS(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC001186970162 1003505284 /nfs/dbraw/zinc/50/52/84/1003505284.db2.gz DTDYNCNHJUBYCM-HNNXBMFYSA-N 0 3 374.846 2.751 20 5 FFBDHN CC(C)(C)OC(=O)NCC[C@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000805765710 1004139001 /nfs/dbraw/zinc/13/90/01/1004139001.db2.gz XYLOFYYHJHOZNZ-CQSZACIVSA-N 0 3 367.450 2.561 20 5 FFBDHN O=C(CNCC1(C2(O)CCC2)CCC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001197681070 1004320289 /nfs/dbraw/zinc/32/02/89/1004320289.db2.gz FVCCXKYOWDKCIK-UHFFFAOYSA-N 0 3 367.833 2.862 20 5 FFBDHN COc1ccc(N2C[C@@H](N[C@@H](C)c3ccc(N)c([N+](=O)[O-])c3)CC2=O)cc1 ZINC000850516815 1005819939 /nfs/dbraw/zinc/81/99/39/1005819939.db2.gz ZBZSZKBEZWDAFM-JSGCOSHPSA-N 0 3 370.409 2.642 20 5 FFBDHN COC(=O)N1CCC(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])CC1 ZINC000851108082 1005861777 /nfs/dbraw/zinc/86/17/77/1005861777.db2.gz JIDPCAYFCHEWIF-ABAIWWIYSA-N 0 3 368.361 2.554 20 5 FFBDHN COc1ccc([C@@H](CNc2ccnc(F)c2[N+](=O)[O-])N(C)C)cc1OC ZINC000881752411 1006206422 /nfs/dbraw/zinc/20/64/22/1006206422.db2.gz ZVKCEJQUOSPQCY-CYBMUJFWSA-N 0 3 364.377 2.861 20 5 FFBDHN COc1ccc([C@H](CNc2ccnc(F)c2[N+](=O)[O-])N(C)C)cc1OC ZINC000881752412 1006207022 /nfs/dbraw/zinc/20/70/22/1006207022.db2.gz ZVKCEJQUOSPQCY-ZDUSSCGKSA-N 0 3 364.377 2.861 20 5 FFBDHN O=[N+]([O-])c1cn(CN2CCC[C@H]2C2CCOCC2)nc1-c1ccccn1 ZINC000853505896 1006419491 /nfs/dbraw/zinc/41/94/91/1006419491.db2.gz SBXVOVSIKNXBSY-INIZCTEOSA-N 0 3 357.414 2.702 20 5 FFBDHN CN(CCCN(C)c1cc(F)c([N+](=O)[O-])cc1CO)Cc1ccncc1 ZINC000882520848 1006420463 /nfs/dbraw/zinc/42/04/63/1006420463.db2.gz HWCWSZPJDUBNHK-UHFFFAOYSA-N 0 3 362.405 2.580 20 5 FFBDHN CN(CC(=N)NOCc1c(F)cc([N+](=O)[O-])cc1F)C(=O)OC(C)(C)C ZINC000853719801 1006514593 /nfs/dbraw/zinc/51/45/93/1006514593.db2.gz RIUDKYYRWZJAJU-UHFFFAOYSA-N 0 3 374.344 2.738 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cc4c(s3)CCNC4)n2)c1 ZINC000854153784 1006708388 /nfs/dbraw/zinc/70/83/88/1006708388.db2.gz SZJHQDUGNYNDIS-UHFFFAOYSA-N 0 3 372.406 2.951 20 5 FFBDHN COCCOc1cc(C)ccc1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819146794 1008042910 /nfs/dbraw/zinc/04/29/10/1008042910.db2.gz LDWSBZZXKTVPLW-SFHVURJKSA-N 0 3 360.410 2.752 20 5 FFBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000819642723 1008203124 /nfs/dbraw/zinc/20/31/24/1008203124.db2.gz QWVWTJYRMPSOFS-HNAYVOBHSA-N 0 3 366.421 2.524 20 5 FFBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000820009239 1008265800 /nfs/dbraw/zinc/26/58/00/1008265800.db2.gz CFZYTFQBGLAFHT-VQIMIIECSA-N 0 3 366.421 2.934 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC000858280337 1008339034 /nfs/dbraw/zinc/33/90/34/1008339034.db2.gz PGBGYZGVMRATCE-MRXNPFEDSA-N 0 3 365.430 2.629 20 5 FFBDHN CN1CCN(CCCO[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC001206595344 1032359389 /nfs/dbraw/zinc/35/93/89/1032359389.db2.gz FBNAQFYNARQWEJ-OAHLLOKOSA-N 0 3 361.364 2.852 20 5 FFBDHN O=[N+]([O-])c1c(N2CCCN(Cc3ccccc3)CC2)nc2ccccn21 ZINC000139593369 1008982780 /nfs/dbraw/zinc/98/27/80/1008982780.db2.gz XEDKYLQMLAIDFN-UHFFFAOYSA-N 0 3 351.410 2.955 20 5 FFBDHN CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)[C@H](C)N(C)C ZINC001180862925 1009879538 /nfs/dbraw/zinc/87/95/38/1009879538.db2.gz WPRLYCAWIKXTDQ-LBPRGKRZSA-N 0 3 352.438 2.845 20 5 FFBDHN COC(=O)CC[C@@H]1CCN([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173195485 1012337277 /nfs/dbraw/zinc/33/72/77/1012337277.db2.gz GTSNHUMKQJZTJC-CHWSQXEVSA-N 0 3 368.405 2.949 20 5 FFBDHN COc1cnc(OC2CCN([C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC001173236892 1012383181 /nfs/dbraw/zinc/38/31/81/1012383181.db2.gz FWDIKRDGDYRELV-CQSZACIVSA-N 0 3 372.425 2.868 20 5 FFBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC(Oc2ncc(F)cn2)CC1 ZINC001173238343 1012386164 /nfs/dbraw/zinc/38/61/64/1012386164.db2.gz QDGBCIAXCZUZIL-ZDUSSCGKSA-N 0 3 360.389 2.998 20 5 FFBDHN CC([C@@H](OC(=O)c1cccn(C2CC2)c1=O)c1ccccc1F)[N+](=O)[O-] ZINC000870453975 1012387409 /nfs/dbraw/zinc/38/74/09/1012387409.db2.gz HBKRBDHBVXDENE-MEDUHNTESA-N 0 3 360.341 2.886 20 5 FFBDHN COCCn1ncc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c1C ZINC000870455310 1012388962 /nfs/dbraw/zinc/38/89/62/1012388962.db2.gz WXSAVNQYOXOAED-BLLLJJGKSA-N 0 3 365.361 2.540 20 5 FFBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@](CO)(c3ccccc3)C2)c1 ZINC000801578507 1019133269 /nfs/dbraw/zinc/13/32/69/1019133269.db2.gz HHCDOGBQYHRRNV-FQEVSTJZSA-N 0 3 356.422 3.000 20 5 FFBDHN CCC(=O)[C@H]1C[C@@H](Oc2c([N+](=O)[O-])cc(C(C)(C)C)cc2[N+](=O)[O-])CN1 ZINC001218328510 1033108480 /nfs/dbraw/zinc/10/84/80/1033108480.db2.gz SQXHKSXZSCIJHI-VXGBXAGGSA-N 0 3 365.386 2.889 20 5 FFBDHN O=[N+]([O-])c1cc(F)cc(Br)c1O[C@@H]1CNCCC1(F)F ZINC001218452685 1033162836 /nfs/dbraw/zinc/16/28/36/1033162836.db2.gz DGFVUJZTVDITMY-SECBINFHSA-N 0 3 355.110 2.872 20 5 FFBDHN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H]2CCCN2C)CC1 ZINC000194740304 1024885958 /nfs/dbraw/zinc/88/59/58/1024885958.db2.gz OYSHSVKINLJFPM-INIZCTEOSA-N 0 3 360.458 2.655 20 5 FFBDHN COc1nc(C)c([N+](=O)[O-])c(NC[C@H](c2ccccc2)N2CCCC2)n1 ZINC001156529873 1029233671 /nfs/dbraw/zinc/23/36/71/1029233671.db2.gz HIWXKOURVBATMP-OAHLLOKOSA-N 0 3 357.414 2.951 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@H](CO)c2ccc(C(F)(F)F)cc2)cc1 ZINC000782091605 1029566136 /nfs/dbraw/zinc/56/61/36/1029566136.db2.gz PGDJGRHVCUIXAR-CVEARBPZSA-N 0 3 370.327 2.970 20 5 FFBDHN Cc1nc(N2CCCn3cnc(CNC4CCC4)c3C2)ccc1[N+](=O)[O-] ZINC001165909107 1030166137 /nfs/dbraw/zinc/16/61/37/1030166137.db2.gz ZUKOPPSTWQHAPO-UHFFFAOYSA-N 0 3 356.430 2.547 20 5 FFBDHN Cc1c(C)c(N2CCCn3cnc(CNC4CCC4)c3C2)ncc1[N+](=O)[O-] ZINC001165911459 1030168658 /nfs/dbraw/zinc/16/86/58/1030168658.db2.gz VHQGCNBAPZHGQE-UHFFFAOYSA-N 0 3 370.457 2.856 20 5 FFBDHN COc1cc(CNC[C@@H]2CCN2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001203770956 1030878596 /nfs/dbraw/zinc/87/85/96/1030878596.db2.gz LNLFZKATNGWDGP-KRWDZBQOSA-N 0 3 371.437 2.976 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3CNCc4ccccc43)n2)c1 ZINC000843222777 1031254494 /nfs/dbraw/zinc/25/44/94/1031254494.db2.gz JTUYRCLAQAZDHK-INIZCTEOSA-N 0 3 366.377 2.812 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCO[C@H]2CC[C@@H](N3CCOCC3)CC2)cc1 ZINC001224777856 1034001627 /nfs/dbraw/zinc/00/16/27/1034001627.db2.gz HEUYOLAJWXYIII-WOVMCDHWSA-N 0 3 350.415 2.634 20 5 FFBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000831563144 1034125727 /nfs/dbraw/zinc/12/57/27/1034125727.db2.gz KTBWLYMTUQILBV-XBFCOCLRSA-N 0 3 371.359 2.998 20 5 FFBDHN COCCCN1CCC(Oc2c(C(C)=O)cc(C)cc2[N+](=O)[O-])CC1 ZINC001228451104 1036122256 /nfs/dbraw/zinc/12/22/56/1036122256.db2.gz RRFYWAAYOCNREN-UHFFFAOYSA-N 0 3 350.415 2.986 20 5 FFBDHN CCN1CC[C@@H](Oc2ccc(I)cc2[N+](=O)[O-])C1 ZINC001229939372 1036990601 /nfs/dbraw/zinc/99/06/01/1036990601.db2.gz BNPSHUBHWOSKDI-SNVBAGLBSA-N 0 3 362.167 2.672 20 5 FFBDHN COCCN1CCC(Oc2ncc(Br)c(C)c2[N+](=O)[O-])CC1 ZINC001230038704 1037049455 /nfs/dbraw/zinc/04/94/55/1037049455.db2.gz YESOXCZCNNVMBG-UHFFFAOYSA-N 0 3 374.235 2.550 20 5 FFBDHN Cc1cc(S(=O)(=O)[N-]CC2([NH+](C)C)CCCCC2)c(F)cc1[N+](=O)[O-] ZINC001208023469 1037949481 /nfs/dbraw/zinc/94/94/81/1037949481.db2.gz ZFTXBURJBBDAOY-UHFFFAOYSA-N 0 3 373.450 2.585 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCC(NCc3cn(CC4CC4)cn3)CC2)cc1 ZINC001254470713 1040737679 /nfs/dbraw/zinc/73/76/79/1040737679.db2.gz QWMLMSSUXKBXLH-UHFFFAOYSA-N 0 3 355.442 2.960 20 5 FFBDHN CCOC(=O)C1(N[C@@H](C)Cc2ccccc2[N+](=O)[O-])CCN(CC)CC1 ZINC001254549679 1040792515 /nfs/dbraw/zinc/79/25/15/1040792515.db2.gz XACONDCGOSPONJ-HNNXBMFYSA-N 0 3 363.458 2.533 20 5 FFBDHN COc1ccnc(O[C@@H]2CCCN([C@@H](C)Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC001254567330 1040804392 /nfs/dbraw/zinc/80/43/92/1040804392.db2.gz BPDGQZPBHQOSIN-GOEBONIOSA-N 0 3 372.425 2.868 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@H](F)[C@](O)(C(F)(F)F)CC1)C2 ZINC001254593147 1040822682 /nfs/dbraw/zinc/82/26/82/1040822682.db2.gz JJDFGGVOJIHBJZ-ILXRZTDVSA-N 0 3 362.323 2.789 20 5 FFBDHN Cc1cc(O[C@H]2CCCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)ncn1 ZINC001254610332 1040839261 /nfs/dbraw/zinc/83/92/61/1040839261.db2.gz JQOQRMZIKMLXIF-MSOLQXFVSA-N 0 3 354.410 2.704 20 5 FFBDHN Cc1cnc(OC2CCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)nc1 ZINC001254611994 1040841373 /nfs/dbraw/zinc/84/13/73/1040841373.db2.gz UHVSIZVGDNSJER-QGZVFWFLSA-N 0 3 354.410 2.704 20 5 FFBDHN C[C@@H](CNC(=O)c1cccc2c1OCCNC2)c1ccccc1[N+](=O)[O-] ZINC001263235963 1042190390 /nfs/dbraw/zinc/19/03/90/1042190390.db2.gz CHEZDJNWJRKGHH-ZDUSSCGKSA-N 0 3 355.394 2.610 20 5 FFBDHN CC(COC(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O)[N+](=O)[O-] ZINC001263502303 1042345648 /nfs/dbraw/zinc/34/56/48/1042345648.db2.gz PIFSBNSLKJBFSI-SUMWQHHRSA-N 0 3 354.362 2.592 20 5 FFBDHN CCN1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])cc(C)n3)cc2)CC1 ZINC001264226850 1042658263 /nfs/dbraw/zinc/65/82/63/1042658263.db2.gz VVTQISXBIABOON-UHFFFAOYSA-N 0 3 369.425 2.692 20 5 FFBDHN O=[N+]([O-])c1ccc(C(F)(F)F)c(Cn2cc(CNCC3CC3)nn2)c1 ZINC001333537918 1048965094 /nfs/dbraw/zinc/96/50/94/1048965094.db2.gz PQEMHHHNSUADIV-UHFFFAOYSA-N 0 3 355.320 2.753 20 5 FFBDHN O=C(Nc1ccc2c(c1)OCCNC2)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001340843143 1051181186 /nfs/dbraw/zinc/18/11/86/1051181186.db2.gz JZXXIHOMWQPNJS-IRXDYDNUSA-N 0 3 353.378 2.819 20 5 FFBDHN CC[C@@H]1CN(c2nnc([C@H](C)[N+](=O)[O-])n2CC)CCN1Cc1ccccc1 ZINC001341000716 1051335654 /nfs/dbraw/zinc/33/56/54/1051335654.db2.gz DEKJDMXFUGJNMI-DOTOQJQBSA-N 0 3 372.473 2.737 20 5 FFBDHN CC[C@H]1CN(c2nnc([C@@H](C)[N+](=O)[O-])n2CC)CCN1Cc1ccccc1 ZINC001341001128 1051337536 /nfs/dbraw/zinc/33/75/36/1051337536.db2.gz DEKJDMXFUGJNMI-WBVHZDCISA-N 0 3 372.473 2.737 20 5 FFBDHN O=C(c1csc([N+](=O)[O-])c1)N1C[C@H](C[C@H]2COCCN2)c2ccccc21 ZINC001342758915 1051375003 /nfs/dbraw/zinc/37/50/03/1051375003.db2.gz SUPZEBQRSFFYGJ-JSGCOSHPSA-N 0 3 373.434 2.779 20 5 FFBDHN CC(=O)NC1CCC(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])CC1 ZINC001345232860 1052333351 /nfs/dbraw/zinc/33/33/51/1052333351.db2.gz JLVWYGGAGZBZQI-WTKWOQBOSA-N 0 3 366.389 2.770 20 5 FFBDHN C[C@H]1CCC[C@H](CN(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001307851204 1052356981 /nfs/dbraw/zinc/35/69/81/1052356981.db2.gz MKCMRTSWOQVGEZ-GJZGRUSLSA-N 0 3 369.487 2.631 20 5 FFBDHN CC(COC(=O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2)[N+](=O)[O-] ZINC001346122430 1052758384 /nfs/dbraw/zinc/75/83/84/1052758384.db2.gz AHOOJARMFJUJSQ-NSHDSACASA-N 0 3 350.371 2.806 20 5 FFBDHN Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000847253515 1055319866 /nfs/dbraw/zinc/31/98/66/1055319866.db2.gz GUJLENLJUISXIK-KGLIPLIRSA-N 0 3 362.386 2.558 20 5 FFBDHN CCN(CC)[C@@H](CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1ccsc1 ZINC001543828180 1071553717 /nfs/dbraw/zinc/55/37/17/1071553717.db2.gz APQSBDQLBHCBDE-JTQLQIEISA-N 0 3 371.850 2.846 20 5 FFBDHN Cc1c(C(=O)OC[C@@H](C)N2CCCCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000847960286 1058521254 /nfs/dbraw/zinc/52/12/54/1058521254.db2.gz LBJFSAHMABOKDI-CYBMUJFWSA-N 0 3 373.413 2.515 20 5 FFBDHN CS[C@@H]1CN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1N(C)C ZINC001447106539 1058597196 /nfs/dbraw/zinc/59/71/96/1058597196.db2.gz QGGRMZQFFBYNOO-LSDHHAIUSA-N 0 3 371.890 2.685 20 5 FFBDHN O=[N+]([O-])c1cnc2ccccc2c1NC[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC001458608927 1060632555 /nfs/dbraw/zinc/63/25/55/1060632555.db2.gz UMHWUFVKNNCOQB-YJBOKZPZSA-N 0 3 370.453 2.868 20 5 FFBDHN Cc1c(CO)cc([N+](=O)[O-])c(N[C@@H]2CCCN3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000848783915 1060690320 /nfs/dbraw/zinc/69/03/20/1060690320.db2.gz GKAJAKWLSTVLHX-ZIAGYGMSSA-N 0 3 364.402 2.733 20 5 FFBDHN C[C@H](CNCc1c(Br)cccc1[N+](=O)[O-])Cn1ccnc1 ZINC001461157718 1061228236 /nfs/dbraw/zinc/22/82/36/1061228236.db2.gz SDOVFJYEALGOSD-LLVKDONJSA-N 0 3 353.220 2.980 20 5 FFBDHN CCCN(CC)CCNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC001463227668 1062005848 /nfs/dbraw/zinc/00/58/48/1062005848.db2.gz JMEYBTYRVLQXFF-UHFFFAOYSA-N 0 3 363.867 2.567 20 5 FFBDHN CN1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC001439893216 1063229151 /nfs/dbraw/zinc/22/91/51/1063229151.db2.gz XFVRJEQDXLFUNF-MRXNPFEDSA-N 0 3 360.458 2.799 20 5 FFBDHN O=C(CNC1([C@H]2CCCO2)CCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001473890693 1065408020 /nfs/dbraw/zinc/40/80/20/1065408020.db2.gz ZYQPHVQUDMOERT-CQSZACIVSA-N 0 3 353.806 2.878 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](c2cncn2C(C)(C)C)C1 ZINC001473896408 1065411630 /nfs/dbraw/zinc/41/16/30/1065411630.db2.gz CLRUBLVNMLXSDX-OAHLLOKOSA-N 0 3 360.462 2.931 20 5 FFBDHN COc1ccc(C[C@](C)(CO)NCc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC001560183691 1076242871 /nfs/dbraw/zinc/24/28/71/1076242871.db2.gz VSZQKARATCFTNJ-LJQANCHMSA-N 0 3 360.410 2.695 20 5 FFBDHN COc1cc(CN(C)C)ccc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001570178149 1077187338 /nfs/dbraw/zinc/18/73/38/1077187338.db2.gz AFRVUHIABDLYMD-UHFFFAOYSA-N 0 3 373.365 2.646 20 5 FFBDHN CC(C)[C@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC001590269644 1081133648 /nfs/dbraw/zinc/13/36/48/1081133648.db2.gz RMEHLAJNJCPHKJ-INIZCTEOSA-N 0 3 373.461 2.943 20 5 FFBDHN CC(C)[C@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC001590269644 1081133650 /nfs/dbraw/zinc/13/36/50/1081133650.db2.gz RMEHLAJNJCPHKJ-INIZCTEOSA-N 0 3 373.461 2.943 20 5 FFBDHN Cc1n[nH]c(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)c1[N+](=O)[O-] ZINC000072061767 205464610 /nfs/dbraw/zinc/46/46/10/205464610.db2.gz CPJSDEJLKXCBSE-HNNXBMFYSA-N 0 3 357.414 2.502 20 5 FFBDHN Cn1cc(CNCC[S@](=O)C(C)(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000116921662 250322310 /nfs/dbraw/zinc/32/23/10/250322310.db2.gz KNFTWGZQXQAIOG-RUZDIDTESA-N 0 3 364.471 2.632 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CCc1ccccn1 ZINC000153103516 251103056 /nfs/dbraw/zinc/10/30/56/251103056.db2.gz MQMGZEPPOWSCPH-UHFFFAOYSA-N 0 3 358.398 2.502 20 5 FFBDHN C[C@H]1C[C@H](N2CCCC2)CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000285704532 257000556 /nfs/dbraw/zinc/00/05/56/257000556.db2.gz WCMFPMPFWJWKCZ-BBRMVZONSA-N 0 3 357.414 2.703 20 5 FFBDHN Cc1ccc2[nH]c([C@@H]3CCCN(CCn4cc([N+](=O)[O-])cn4)C3)nc2c1 ZINC000181141406 251246307 /nfs/dbraw/zinc/24/63/07/251246307.db2.gz BONVUXFTVZULTM-CQSZACIVSA-N 0 3 354.414 2.856 20 5 FFBDHN Cc1ccc2nc([C@@H]3CCCN(CCn4cc([N+](=O)[O-])cn4)C3)[nH]c2c1 ZINC000181141406 251246312 /nfs/dbraw/zinc/24/63/12/251246312.db2.gz BONVUXFTVZULTM-CQSZACIVSA-N 0 3 354.414 2.856 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000181188318 251256537 /nfs/dbraw/zinc/25/65/37/251256537.db2.gz QOTVUNXNUTWXRY-UKRRQHHQSA-N 0 3 354.410 2.570 20 5 FFBDHN C[C@H]1CN(CCC2CCN(c3ncc([N+](=O)[O-])s3)CC2)C[C@H](C)O1 ZINC000192479762 251277903 /nfs/dbraw/zinc/27/79/03/251277903.db2.gz QYTQWASVUHOEIH-STQMWFEESA-N 0 3 354.476 2.767 20 5 FFBDHN CN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268762098 251375959 /nfs/dbraw/zinc/37/59/59/251375959.db2.gz VXVQZUPDSLNRKU-OAHLLOKOSA-N 0 3 354.410 2.524 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](CCO)c1ccccc1 ZINC000271653787 251846510 /nfs/dbraw/zinc/84/65/10/251846510.db2.gz JUMYCSVAXNDQFN-QGZVFWFLSA-N 0 3 357.410 2.945 20 5 FFBDHN CN1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)[C@@H]2C1 ZINC000272415058 252033443 /nfs/dbraw/zinc/03/34/43/252033443.db2.gz GAXDPHAGXPFEKE-QMTHXVAHSA-N 0 3 357.332 2.780 20 5 FFBDHN COc1cc(CNCCC[C@H](C)CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000272484900 252050310 /nfs/dbraw/zinc/05/03/10/252050310.db2.gz TXEGSCSAJKBFQH-NSHDSACASA-N 0 3 362.373 2.746 20 5 FFBDHN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C1=CCN(C)CC1 ZINC000272919579 252166030 /nfs/dbraw/zinc/16/60/30/252166030.db2.gz KDJLTXBRAVCWPJ-CQSZACIVSA-N 0 3 358.442 2.575 20 5 FFBDHN Cc1c([N+](=O)[O-])cc(C(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000273327201 252282872 /nfs/dbraw/zinc/28/28/72/252282872.db2.gz YHTHBNAQSGNZKG-LBPRGKRZSA-N 0 3 364.402 2.614 20 5 FFBDHN CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H](CO)c1ccccc1 ZINC000275450062 256008409 /nfs/dbraw/zinc/00/84/09/256008409.db2.gz ILJJFFKBCDRWJV-QGZVFWFLSA-N 0 3 361.373 2.728 20 5 FFBDHN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCN(C2CCCC2)CC1 ZINC000276061011 256069552 /nfs/dbraw/zinc/06/95/52/256069552.db2.gz AHANDZCKLQMNOV-UHFFFAOYSA-N 0 3 367.471 2.817 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CNC1CCN(c2cccnn2)CC1 ZINC000276949614 256145179 /nfs/dbraw/zinc/14/51/79/256145179.db2.gz BVJIBQDVVUHQSG-UHFFFAOYSA-N 0 3 357.414 2.542 20 5 FFBDHN COc1cc(CN[C@@H]2CCOC[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000277439643 256198605 /nfs/dbraw/zinc/19/86/05/256198605.db2.gz LFKFATZANBVBPV-ZYHUDNBSSA-N 0 3 360.357 2.762 20 5 FFBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(CO)(Cc3ccccc3)CC2)c1 ZINC000277791344 256239723 /nfs/dbraw/zinc/23/97/23/256239723.db2.gz OQZUOWJABHLDIC-FQEVSTJZSA-N 0 3 370.449 2.945 20 5 FFBDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000278770809 256346504 /nfs/dbraw/zinc/34/65/04/256346504.db2.gz WMHIDPWXJUOWTC-CYBMUJFWSA-N 0 3 353.850 2.933 20 5 FFBDHN CC1(C)C[C@@H](NC[C@@H]2COC3(CCOCC3)O2)c2cc([N+](=O)[O-])ccc21 ZINC000279169543 256389414 /nfs/dbraw/zinc/38/94/14/256389414.db2.gz UPVGJNRLOJPYGL-RHSMWYFYSA-N 0 3 362.426 2.829 20 5 FFBDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000286295912 257029806 /nfs/dbraw/zinc/02/98/06/257029806.db2.gz XFYQJKCIYCVZJQ-MRXNPFEDSA-N 0 3 361.373 2.775 20 5 FFBDHN CCS[C@@H]1CCC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000286332111 257031552 /nfs/dbraw/zinc/03/15/52/257031552.db2.gz XBCPQDZEEJFFCN-HUUCEWRRSA-N 0 3 358.485 2.632 20 5 FFBDHN CCn1c(C)nc([N+](=O)[O-])c1NCc1ccccc1CN1CCC(O)CC1 ZINC000289011030 257247078 /nfs/dbraw/zinc/24/70/78/257247078.db2.gz XIBHNFHDXJWERN-UHFFFAOYSA-N 0 3 373.457 2.688 20 5 FFBDHN O=C(CCC(=O)N1CCC[C@H]1CN1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000294742144 257600558 /nfs/dbraw/zinc/60/05/58/257600558.db2.gz OIGKTTIWDGYZAE-KRWDZBQOSA-N 0 3 359.426 2.645 20 5 FFBDHN CCCN1CCC(Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC1 ZINC000301067555 258022681 /nfs/dbraw/zinc/02/26/81/258022681.db2.gz DOKLVOPWIUNEFW-UHFFFAOYSA-N 0 3 371.441 2.846 20 5 FFBDHN COc1ccc([C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)N2CCCCC2)cc1 ZINC000301095660 258024566 /nfs/dbraw/zinc/02/45/66/258024566.db2.gz NEHNZTRQMORHFK-OAHLLOKOSA-N 0 3 372.429 2.615 20 5 FFBDHN Cc1cc(N2CCN(CCOC(C)C)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302188316 258093755 /nfs/dbraw/zinc/09/37/55/258093755.db2.gz QHSZDUQMVSOHID-UHFFFAOYSA-N 0 3 358.442 2.998 20 5 FFBDHN Cc1cc(N[C@H](C)CCN2CCN(C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302299919 258098832 /nfs/dbraw/zinc/09/88/32/258098832.db2.gz YGQWKKKCNDKVAA-CQSZACIVSA-N 0 3 357.458 2.889 20 5 FFBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCN1CC(C)(C)O ZINC000302474729 258103070 /nfs/dbraw/zinc/10/30/70/258103070.db2.gz DQPDCHALEXMLFJ-LLVKDONJSA-N 0 3 361.364 2.895 20 5 FFBDHN C[C@@H]1CN(CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000302499712 258104210 /nfs/dbraw/zinc/10/42/10/258104210.db2.gz CKESUNQWEXYVJK-LLVKDONJSA-N 0 3 361.364 2.895 20 5 FFBDHN COC(=O)c1cnc(N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000302772840 258110342 /nfs/dbraw/zinc/11/03/42/258110342.db2.gz NOBVUFNJDONXBR-BBRMVZONSA-N 0 3 370.409 2.851 20 5 FFBDHN CN(C)[C@@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)Cc1ccccc1 ZINC000301605426 258058373 /nfs/dbraw/zinc/05/83/73/258058373.db2.gz MKJGQBRKLABTAG-CQSZACIVSA-N 0 3 370.409 2.511 20 5 FFBDHN C[C@@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)N(C)Cc1ccccc1 ZINC000301687247 258063043 /nfs/dbraw/zinc/06/30/43/258063043.db2.gz MDMPJSCWLJRJFR-ZDUSSCGKSA-N 0 3 370.409 2.858 20 5 FFBDHN Cc1cc(N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)ncc1[N+](=O)[O-] ZINC000301719978 258065098 /nfs/dbraw/zinc/06/50/98/258065098.db2.gz MDEMIHVKTZXYHK-SJORKVTESA-N 0 3 356.426 2.593 20 5 FFBDHN C[C@H](CN(C)Cc1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000302026043 258082876 /nfs/dbraw/zinc/08/28/76/258082876.db2.gz QESNTFOPOKRJRF-CYBMUJFWSA-N 0 3 370.409 2.858 20 5 FFBDHN O=C(CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)N1CCCCC1 ZINC000331958773 258207782 /nfs/dbraw/zinc/20/77/82/258207782.db2.gz JMSJYDPRKLXLSJ-UHFFFAOYSA-N 0 3 361.442 2.841 20 5 FFBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000332075794 258212678 /nfs/dbraw/zinc/21/26/78/258212678.db2.gz FWQNKAQGXRRGMH-DGCLKSJQSA-N 0 3 369.368 2.895 20 5 FFBDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000369067507 512212318 /nfs/dbraw/zinc/21/23/18/512212318.db2.gz USRJVVZUWMHKQS-CQSZACIVSA-N 0 3 369.425 2.527 20 5 FFBDHN Cc1c(NC(=O)N2C[C@H](C)NC[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000415647247 513361692 /nfs/dbraw/zinc/36/16/92/513361692.db2.gz AKDNFIPNOJTKQS-IUCAKERBSA-N 0 3 371.235 2.880 20 5 FFBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CCN(C)C1CCCCC1 ZINC000065971466 506402904 /nfs/dbraw/zinc/40/29/04/506402904.db2.gz BOGLUURDOVEIJP-UHFFFAOYSA-N 0 3 369.487 2.788 20 5 FFBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000054226575 506518150 /nfs/dbraw/zinc/51/81/50/506518150.db2.gz MRCQQNKSHFJBPX-WBVHZDCISA-N 0 3 369.421 2.925 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000043126955 506703815 /nfs/dbraw/zinc/70/38/15/506703815.db2.gz OUKJXGRKWKRSRP-MRXNPFEDSA-N 0 3 372.425 2.898 20 5 FFBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000055407449 506745918 /nfs/dbraw/zinc/74/59/18/506745918.db2.gz LRWSJRJSWLXWFO-LSDHHAIUSA-N 0 3 371.441 2.631 20 5 FFBDHN CC(C)(CNC(=O)NCCNc1ccccc1[N+](=O)[O-])N1CCCCC1 ZINC000045118878 506920771 /nfs/dbraw/zinc/92/07/71/506920771.db2.gz XIQYMCYJUXCWDG-UHFFFAOYSA-N 0 3 363.462 2.570 20 5 FFBDHN Nc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000017362913 507123839 /nfs/dbraw/zinc/12/38/39/507123839.db2.gz UQANKDQRIIZVMK-UHFFFAOYSA-N 0 3 354.410 2.571 20 5 FFBDHN CCCCN1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)CC1 ZINC000068902536 507354896 /nfs/dbraw/zinc/35/48/96/507354896.db2.gz AYRYFHVBAMCDMN-UHFFFAOYSA-N 0 3 369.487 2.754 20 5 FFBDHN CCCCN1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)CC1 ZINC000068903291 507357631 /nfs/dbraw/zinc/35/76/31/507357631.db2.gz LFSJHSHBAXVMLR-UHFFFAOYSA-N 0 3 369.487 2.700 20 5 FFBDHN Cc1ccccc1OCCN(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000027700904 507678926 /nfs/dbraw/zinc/67/89/26/507678926.db2.gz IHALLOJGAWKNBS-QGZVFWFLSA-N 0 3 360.410 2.654 20 5 FFBDHN CCN1CCC(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000051341920 507762320 /nfs/dbraw/zinc/76/23/20/507762320.db2.gz TYZVSJBBIBCNHW-UHFFFAOYSA-N 0 3 360.439 2.932 20 5 FFBDHN CCCCN(C)C(=O)C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000052187024 507801331 /nfs/dbraw/zinc/80/13/31/507801331.db2.gz PVARUAJTHHQVOY-UHFFFAOYSA-N 0 3 363.458 2.944 20 5 FFBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000072630430 507834209 /nfs/dbraw/zinc/83/42/09/507834209.db2.gz DXKGPXUIMHFQFC-MRXNPFEDSA-N 0 3 374.485 2.532 20 5 FFBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CCN1CCCC1 ZINC000089900297 507880827 /nfs/dbraw/zinc/88/08/27/507880827.db2.gz CHBCQRZTDRJDOT-GFCCVEGCSA-N 0 3 354.838 2.603 20 5 FFBDHN CN1CCC[C@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000108505991 507899572 /nfs/dbraw/zinc/89/95/72/507899572.db2.gz LGGKOUGXMJQRDB-SNVBAGLBSA-N 0 3 358.345 2.660 20 5 FFBDHN C[C@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC(C)CC1 ZINC000109290360 507952872 /nfs/dbraw/zinc/95/28/72/507952872.db2.gz WKMUCTXNERMDOZ-OAHLLOKOSA-N 0 3 371.441 2.631 20 5 FFBDHN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H](N(C)C)C1 ZINC000109810938 507989428 /nfs/dbraw/zinc/98/94/28/507989428.db2.gz HUDIGWLJTUBFFQ-AAEUAGOBSA-N 0 3 354.838 2.601 20 5 FFBDHN CN(CCN1CCCC1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079805348 508002631 /nfs/dbraw/zinc/00/26/31/508002631.db2.gz LUWRQVGMVQVOFO-UHFFFAOYSA-N 0 3 356.220 2.525 20 5 FFBDHN CCc1nn(C)c(N2CC[C@H](C)N(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000091729305 508005761 /nfs/dbraw/zinc/00/57/61/508005761.db2.gz IUTKYSYQLOWQAP-HNNXBMFYSA-N 0 3 357.458 2.992 20 5 FFBDHN COC(=O)C(C)(C)[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000093282269 508134115 /nfs/dbraw/zinc/13/41/15/508134115.db2.gz OMMPRFUOBKGCEE-CQSZACIVSA-N 0 3 350.415 2.885 20 5 FFBDHN O=[N+]([O-])c1ccccc1OCCN1CCC(c2nnc3ccccn32)CC1 ZINC000112337583 508175925 /nfs/dbraw/zinc/17/59/25/508175925.db2.gz BNQHBYNIGHNVML-UHFFFAOYSA-N 0 3 367.409 2.896 20 5 FFBDHN Cc1sc(C(=O)NC2CCN(CCOC(C)C)CC2)cc1[N+](=O)[O-] ZINC000081997720 508224389 /nfs/dbraw/zinc/22/43/89/508224389.db2.gz SRAWTEJEKAQPAA-UHFFFAOYSA-N 0 3 355.460 2.584 20 5 FFBDHN COc1cc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000114644113 508333339 /nfs/dbraw/zinc/33/33/39/508333339.db2.gz POJZPQKPMRASQY-QGZVFWFLSA-N 0 3 369.421 2.998 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000114645221 508333520 /nfs/dbraw/zinc/33/35/20/508333520.db2.gz KWOFQEDWDDXJOW-QGZVFWFLSA-N 0 3 369.421 2.998 20 5 FFBDHN C[C@@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)N1CCCC[C@@H]1C ZINC000087037217 508333564 /nfs/dbraw/zinc/33/35/64/508333564.db2.gz FAHIPHXKPPWZOB-GJZGRUSLSA-N 0 3 360.458 2.925 20 5 FFBDHN CN(C)CCOc1cccc(CNC(=O)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000087274756 508345922 /nfs/dbraw/zinc/34/59/22/508345922.db2.gz AGEYTOFACNBSJQ-UHFFFAOYSA-N 0 3 371.437 2.784 20 5 FFBDHN CNC(=O)c1ccc(NC[C@H](Cc2ccccc2)N(C)C)c([N+](=O)[O-])c1 ZINC000115713909 508429991 /nfs/dbraw/zinc/42/99/91/508429991.db2.gz IDEXVMHZLMHVBU-INIZCTEOSA-N 0 3 356.426 2.539 20 5 FFBDHN C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CCN1C ZINC000127657868 508483038 /nfs/dbraw/zinc/48/30/38/508483038.db2.gz MNHINQYJDLCRGJ-HUUCEWRRSA-N 0 3 360.458 2.750 20 5 FFBDHN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000134234756 508510930 /nfs/dbraw/zinc/51/09/30/508510930.db2.gz WKDOCOGDMNNWAB-LIVBEALHSA-N 0 3 372.421 2.659 20 5 FFBDHN COc1ccc(OCCN(C)CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000122318387 508517376 /nfs/dbraw/zinc/51/73/76/508517376.db2.gz AARRRBCRQOUDGQ-UHFFFAOYSA-N 0 3 373.409 2.943 20 5 FFBDHN Cc1nn(C)c(C(=O)NCc2ccccc2CN2CCCCC2)c1[N+](=O)[O-] ZINC000127916526 508520323 /nfs/dbraw/zinc/52/03/23/508520323.db2.gz XFHVTINQROQFTF-UHFFFAOYSA-N 0 3 371.441 2.553 20 5 FFBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000157317966 508552113 /nfs/dbraw/zinc/55/21/13/508552113.db2.gz LOAVKESDIAXOQD-CJNGLKHVSA-N 0 3 351.834 2.733 20 5 FFBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCc2ccccc2CC1 ZINC000117342182 508593516 /nfs/dbraw/zinc/59/35/16/508593516.db2.gz NPLTWPBCWRBSCC-UHFFFAOYSA-N 0 3 367.405 2.994 20 5 FFBDHN CC1CCN(c2ccc(C(=O)N(C)[C@@H]3CCCN(C)C3)cc2[N+](=O)[O-])CC1 ZINC000153610662 508607526 /nfs/dbraw/zinc/60/75/26/508607526.db2.gz YFWHILWOPLMSDG-QGZVFWFLSA-N 0 3 374.485 2.997 20 5 FFBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2ccncc2)CC1 ZINC000117745995 508616540 /nfs/dbraw/zinc/61/65/40/508616540.db2.gz YOFZOYSMVGXBAH-UHFFFAOYSA-N 0 3 360.801 2.535 20 5 FFBDHN CN(C)[C@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000153650228 508617289 /nfs/dbraw/zinc/61/72/89/508617289.db2.gz GEXRCAHFKWOJMP-LJQANCHMSA-N 0 3 368.437 2.965 20 5 FFBDHN COc1cc(CNC[C@](C)(O)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000157831109 508618888 /nfs/dbraw/zinc/61/88/88/508618888.db2.gz FNBQBWRUDPZLHY-SFHVURJKSA-N 0 3 364.373 2.748 20 5 FFBDHN CCN(CC)[C@H](CNC(=O)c1c([N+](=O)[O-])c(C)nn1C)c1ccsc1 ZINC000128705041 508631599 /nfs/dbraw/zinc/63/15/99/508631599.db2.gz ICKLUOASFLWGJS-CYBMUJFWSA-N 0 3 365.459 2.511 20 5 FFBDHN C[C@H]1C[C@H](N(C)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCN1C ZINC000123418743 508684127 /nfs/dbraw/zinc/68/41/27/508684127.db2.gz ZECRQZLQAFJAKE-GOEBONIOSA-N 0 3 360.458 2.750 20 5 FFBDHN C[C@@H]1CN(CCCCNC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000129644692 508749821 /nfs/dbraw/zinc/74/98/21/508749821.db2.gz KFVXFDXRVZACLI-ZIAGYGMSSA-N 0 3 350.419 2.606 20 5 FFBDHN CN(C)CCn1cc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cn1 ZINC000130362524 508814426 /nfs/dbraw/zinc/81/44/26/508814426.db2.gz WAMLFSPCAREKCT-UHFFFAOYSA-N 0 3 359.430 2.903 20 5 FFBDHN COCCCN1CCC(NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000120315747 508970844 /nfs/dbraw/zinc/97/08/44/508970844.db2.gz GCPNYAXWJKCPLV-UHFFFAOYSA-N 0 3 364.446 2.834 20 5 FFBDHN O=C1CCc2cc([N+](=O)[O-])c(N3CCC[C@@H]3CN3CCCCC3)cc2N1 ZINC000160444735 508988305 /nfs/dbraw/zinc/98/83/05/508988305.db2.gz XSKUVEKBQAXPRL-OAHLLOKOSA-N 0 3 358.442 2.934 20 5 FFBDHN CCN(CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000151475512 509024845 /nfs/dbraw/zinc/02/48/45/509024845.db2.gz AITWJHFWKJFJIO-UHFFFAOYSA-N 0 3 370.247 2.500 20 5 FFBDHN COc1cc(C(=O)N[C@H](Cc2ccccc2)CN(C)C)ccc1[N+](=O)[O-] ZINC000160743283 509027241 /nfs/dbraw/zinc/02/72/41/509027241.db2.gz LIFZWOUIBWTUEW-MRXNPFEDSA-N 0 3 357.410 2.506 20 5 FFBDHN CCCO[C@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000248454782 509329859 /nfs/dbraw/zinc/32/98/59/509329859.db2.gz KMJBRXNBKHOJHO-CVEARBPZSA-N 0 3 352.431 2.616 20 5 FFBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000173039641 509363567 /nfs/dbraw/zinc/36/35/67/509363567.db2.gz OQJUMHSJCMDTKG-IBGZPJMESA-N 0 3 353.422 2.918 20 5 FFBDHN CN(C)CCN(Cc1cccs1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000176257873 509405949 /nfs/dbraw/zinc/40/59/49/509405949.db2.gz QJAVHEWQOCWRGK-UHFFFAOYSA-N 0 3 373.438 2.737 20 5 FFBDHN O=C(NCC1(N2CCCC2)CCOCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000264265492 509423558 /nfs/dbraw/zinc/42/35/58/509423558.db2.gz MUNVNHRFSQCUMX-UHFFFAOYSA-N 0 3 367.833 2.623 20 5 FFBDHN Cc1c(Br)cc(C(=O)NCCN2CCCCC2)cc1[N+](=O)[O-] ZINC000164216960 509477934 /nfs/dbraw/zinc/47/79/34/509477934.db2.gz YXZWUSKPCJQILK-UHFFFAOYSA-N 0 3 370.247 2.881 20 5 FFBDHN CC(C)c1ccc([C@H](N)CNC(=O)CNc2ccccc2[N+](=O)[O-])cc1 ZINC000236764862 509499871 /nfs/dbraw/zinc/49/98/71/509499871.db2.gz BEYNXMOJINKBJR-MRXNPFEDSA-N 0 3 356.426 2.946 20 5 FFBDHN O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)C1CCN(C2CC2)CC1 ZINC000192449805 509522804 /nfs/dbraw/zinc/52/28/04/509522804.db2.gz GKXNZWRRIUWPFR-UHFFFAOYSA-N 0 3 355.398 2.593 20 5 FFBDHN C[C@@H](NCc1cccnc1N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173357042 509551792 /nfs/dbraw/zinc/55/17/92/509551792.db2.gz CTOVANGBKOUNHM-OAHLLOKOSA-N 0 3 355.442 2.592 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000173368571 509556701 /nfs/dbraw/zinc/55/67/01/509556701.db2.gz ZWCLRCRIDRVHLF-RBUKOAKNSA-N 0 3 370.384 2.671 20 5 FFBDHN C[C@@H]1CN(CC(C)(C)O)CCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000189416127 509565916 /nfs/dbraw/zinc/56/59/16/509565916.db2.gz FCTIDOPFZZNQQM-CQSZACIVSA-N 0 3 374.441 2.527 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@H](N4CCCCC4)C3)o2)cc1 ZINC000264559564 509600402 /nfs/dbraw/zinc/60/04/02/509600402.db2.gz FIEWSSZALNTKHC-INIZCTEOSA-N 0 3 357.414 2.705 20 5 FFBDHN Cc1ccc([C@H](C)NC(=O)c2ccnc(OCCN(C)C)c2)cc1[N+](=O)[O-] ZINC000183225173 509666797 /nfs/dbraw/zinc/66/67/97/509666797.db2.gz PSAGLHHCHNYHEO-AWEZNQCLSA-N 0 3 372.425 2.730 20 5 FFBDHN CN(C)C[C@@H]1CCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000268225187 509822696 /nfs/dbraw/zinc/82/26/96/509822696.db2.gz XHYZCRMWYOSJNG-JTQLQIEISA-N 0 3 374.210 2.663 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1CNCCCN1C(=O)COc2ccccc21 ZINC000183512682 509834691 /nfs/dbraw/zinc/83/46/91/509834691.db2.gz ULHPCWJJUKLATF-UHFFFAOYSA-N 0 3 355.394 2.809 20 5 FFBDHN Cc1cccc([C@H](C)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000174009556 509901325 /nfs/dbraw/zinc/90/13/25/509901325.db2.gz JLMWXRKIKGYCEU-AWEZNQCLSA-N 0 3 363.439 2.532 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CN1C1CC1 ZINC000177195592 509929991 /nfs/dbraw/zinc/92/99/91/509929991.db2.gz FYYSZQRVIJMAAW-YPMHNXCESA-N 0 3 367.833 2.759 20 5 FFBDHN COCCCN1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000171097945 509941308 /nfs/dbraw/zinc/94/13/08/509941308.db2.gz MHFIYBXAWZHRNR-UHFFFAOYSA-N 0 3 370.837 2.871 20 5 FFBDHN C[C@H](CN1CCN(C)CC1)N[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180497721 509956055 /nfs/dbraw/zinc/95/60/55/509956055.db2.gz TZPSKPPEJSMHOR-DYESRHJHSA-N 0 3 368.481 2.910 20 5 FFBDHN COCCCN1CCC(Nc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000268506095 509975974 /nfs/dbraw/zinc/97/59/74/509975974.db2.gz USKIRUMLYRRVII-UHFFFAOYSA-N 0 3 373.251 2.665 20 5 FFBDHN Cc1c(NC(=O)CCN2CCC[C@@H](c3cc[nH]n3)C2)cccc1[N+](=O)[O-] ZINC000193585298 509978702 /nfs/dbraw/zinc/97/87/02/509978702.db2.gz HRJHVDMHXYCTFB-CQSZACIVSA-N 0 3 357.414 2.835 20 5 FFBDHN CCN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000184176560 510175637 /nfs/dbraw/zinc/17/56/37/510175637.db2.gz HKJAVGPMJRXDNI-MRXNPFEDSA-N 0 3 368.437 2.914 20 5 FFBDHN COc1ccc(NC(=O)CCN2CC(C)(C)OC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000190539521 510192310 /nfs/dbraw/zinc/19/23/10/510192310.db2.gz SZLUQPWVXUMWRC-UHFFFAOYSA-N 0 3 365.430 2.821 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H](Nc3ccccc3)C2)c1 ZINC000246021973 510254512 /nfs/dbraw/zinc/25/45/12/510254512.db2.gz PEFMUNWZNDACBX-FUHWJXTLSA-N 0 3 357.410 2.521 20 5 FFBDHN COc1cc(CN[C@H]2CCO[C@@]3(CCSC3)C2)c([N+](=O)[O-])cc1OC ZINC000269152071 510259801 /nfs/dbraw/zinc/25/98/01/510259801.db2.gz QEPZMJCLINMSTL-GUYCJALGSA-N 0 3 368.455 2.756 20 5 FFBDHN CC(C)[C@H](CNc1ccc2ncccc2c1[N+](=O)[O-])N1CCN(C)CC1 ZINC000194262607 510284648 /nfs/dbraw/zinc/28/46/48/510284648.db2.gz HWROSQFWMIMGEG-SFHVURJKSA-N 0 3 357.458 2.827 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@H]3CN3CCCC3)n2)cc1 ZINC000171708522 510322792 /nfs/dbraw/zinc/32/27/92/510322792.db2.gz RWWHAWRROUHBJA-INIZCTEOSA-N 0 3 357.414 2.705 20 5 FFBDHN COC(=O)C1CCN(CCCNc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000269608045 510481920 /nfs/dbraw/zinc/48/19/20/510481920.db2.gz DCRSZRKIEXLMSD-UHFFFAOYSA-N 0 3 357.357 2.560 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NCC1(N2CCCCC2)CCOCC1 ZINC000194693663 510482547 /nfs/dbraw/zinc/48/25/47/510482547.db2.gz NPHGDBOFDHZQJM-UHFFFAOYSA-N 0 3 361.442 2.668 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)NCc2ccc(OCC3CC3)cc2)cc1 ZINC000191081446 510494908 /nfs/dbraw/zinc/49/49/08/510494908.db2.gz ODXBJTZUMXTNSD-WOJBJXKFSA-N 0 3 372.421 2.568 20 5 FFBDHN CC1CCN(c2ccc(C(=O)NC[C@H]3CCCN3C)cc2[N+](=O)[O-])CC1 ZINC000194730664 510499213 /nfs/dbraw/zinc/49/92/13/510499213.db2.gz ZEQGYVRVXQTSMD-MRXNPFEDSA-N 0 3 360.458 2.655 20 5 FFBDHN COc1ccc(CN[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1O ZINC000178409223 510588562 /nfs/dbraw/zinc/58/85/62/510588562.db2.gz IGNJPYVHPIEAQH-LBPRGKRZSA-N 0 3 359.382 2.816 20 5 FFBDHN CC(C)(NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000266526896 510639830 /nfs/dbraw/zinc/63/98/30/510639830.db2.gz KNZCFEBOELWCOW-CQSZACIVSA-N 0 3 372.347 2.696 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC)CCCN1CCCC1 ZINC000188261874 510675841 /nfs/dbraw/zinc/67/58/41/510675841.db2.gz NWUNCNNKCXWVMY-UHFFFAOYSA-N 0 3 369.487 2.654 20 5 FFBDHN COc1ccc([C@H]2CCCCCN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000246801911 510682903 /nfs/dbraw/zinc/68/29/03/510682903.db2.gz VNMKFJPFVAOCNP-IEBWSBKVSA-N 0 3 374.441 2.778 20 5 FFBDHN COc1ccc(OCCN(CCO)Cc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000181970227 510684880 /nfs/dbraw/zinc/68/48/80/510684880.db2.gz WMGSMCUFLVPGQT-UHFFFAOYSA-N 0 3 360.410 2.785 20 5 FFBDHN C[C@@H](NCCOc1cccc([N+](=O)[O-])c1)c1ccc(-n2ccnn2)cc1 ZINC000182020864 510714437 /nfs/dbraw/zinc/71/44/37/510714437.db2.gz HYHIMOOOZCLKHU-CQSZACIVSA-N 0 3 353.382 2.905 20 5 FFBDHN CC(=O)Nc1cccc([C@H](C)NC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000182205278 510813055 /nfs/dbraw/zinc/81/30/55/510813055.db2.gz CMWVWFOPRVAKOI-GUYCJALGSA-N 0 3 373.409 2.644 20 5 FFBDHN C[C@H](CN1CCCCCC1)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000185435691 510844767 /nfs/dbraw/zinc/84/47/67/510844767.db2.gz COPVJRIGKPMULL-OAHLLOKOSA-N 0 3 371.441 2.775 20 5 FFBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000247277509 510855034 /nfs/dbraw/zinc/85/50/34/510855034.db2.gz XBPQWHLJSFMMEP-GXFFZTMASA-N 0 3 370.247 2.770 20 5 FFBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000247310570 510856471 /nfs/dbraw/zinc/85/64/71/510856471.db2.gz HLKBCJFEBOYTGU-IINYFYTJSA-N 0 3 370.247 2.770 20 5 FFBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)cc1OC ZINC000247496853 510863402 /nfs/dbraw/zinc/86/34/02/510863402.db2.gz UQPCNJFDTCBWLH-STQMWFEESA-N 0 3 365.430 2.557 20 5 FFBDHN C[C@H]1C[C@@H](N2CCCC2)CN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000285568318 510960282 /nfs/dbraw/zinc/96/02/82/510960282.db2.gz NPORACAFCXIRJX-XJKSGUPXSA-N 0 3 357.414 2.703 20 5 FFBDHN COc1cc(C(=O)N(CC(C)C)C2CCN(C)CC2)c([N+](=O)[O-])cc1F ZINC000297853773 511089461 /nfs/dbraw/zinc/08/94/61/511089461.db2.gz SELQKBCEFBWEFU-UHFFFAOYSA-N 0 3 367.421 2.935 20 5 FFBDHN COc1cc(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000294648385 511131406 /nfs/dbraw/zinc/13/14/06/511131406.db2.gz VLSSCFLMBRFZRJ-NEPJUHHUSA-N 0 3 353.394 2.593 20 5 FFBDHN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CCC[C@@H]1CN1CCCC1 ZINC000294729427 511158831 /nfs/dbraw/zinc/15/88/31/511158831.db2.gz NGNVTKAZKDOQCR-MRXNPFEDSA-N 0 3 369.425 2.685 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CN1C1CC1 ZINC000295140371 511296475 /nfs/dbraw/zinc/29/64/75/511296475.db2.gz OLZADTSOGNCDQA-KOLCDFICSA-N 0 3 357.332 2.969 20 5 FFBDHN COc1ccccc1COC[C@@H](O)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271727465 511302145 /nfs/dbraw/zinc/30/21/45/511302145.db2.gz MIEPPAYUKWBYEN-HOCLYGCPSA-N 0 3 360.410 2.832 20 5 FFBDHN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CCN(C2CC2)C1 ZINC000295757001 511506834 /nfs/dbraw/zinc/50/68/34/511506834.db2.gz VMGXATLJYHZHAR-OAHLLOKOSA-N 0 3 372.469 2.751 20 5 FFBDHN CN1CC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3Br)C2)C1 ZINC000292236700 511516303 /nfs/dbraw/zinc/51/63/03/511516303.db2.gz NWVFHCXYZHMHAC-OAHLLOKOSA-N 0 3 368.231 2.525 20 5 FFBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295845535 511532660 /nfs/dbraw/zinc/53/26/60/511532660.db2.gz WUEMOPJBRWJASL-RHSMWYFYSA-N 0 3 359.426 2.643 20 5 FFBDHN COC(=O)c1cc(C)nc(N2CCC[C@H]2CN2CCCCC2)c1[N+](=O)[O-] ZINC000283888108 511533785 /nfs/dbraw/zinc/53/37/85/511533785.db2.gz VMUNHTOSXNCKCK-AWEZNQCLSA-N 0 3 362.430 2.540 20 5 FFBDHN CCC(=O)c1ccc(NC[C@H](C)CN2CCN(CC)CC2)c([N+](=O)[O-])c1 ZINC000280631912 511540813 /nfs/dbraw/zinc/54/08/13/511540813.db2.gz CKHYYJQEFACTQR-HNNXBMFYSA-N 0 3 362.474 2.873 20 5 FFBDHN CC(C)N1CCCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000292324513 511553741 /nfs/dbraw/zinc/55/37/41/511553741.db2.gz BPWNPPDWTTXLNY-ZDUSSCGKSA-N 0 3 368.865 2.991 20 5 FFBDHN CC[C@H](C)N1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000295935915 511560434 /nfs/dbraw/zinc/56/04/34/511560434.db2.gz GIEBRTRNCSSIMI-LBPRGKRZSA-N 0 3 354.838 2.603 20 5 FFBDHN CC[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000295945856 511564233 /nfs/dbraw/zinc/56/42/33/511564233.db2.gz IFNISOMDLSQWSZ-OAHLLOKOSA-N 0 3 360.458 2.751 20 5 FFBDHN CN1CC[C@@H]2OCCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@@H]2C1 ZINC000284521967 511757808 /nfs/dbraw/zinc/75/78/08/511757808.db2.gz FPXOQCPTWFDTIP-MJGOQNOKSA-N 0 3 357.410 2.760 20 5 FFBDHN CC1(C)[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]2CCO[C@@H]21 ZINC000296477805 511760227 /nfs/dbraw/zinc/76/02/27/511760227.db2.gz YEKASMLYMYNZJG-VQISRLSMSA-N 0 3 353.806 2.590 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)n1 ZINC000312597586 511786656 /nfs/dbraw/zinc/78/66/56/511786656.db2.gz FIHSRZPESIZCOC-UKRRQHHQSA-N 0 3 370.409 2.851 20 5 FFBDHN C[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN(C2CC2)C1 ZINC000296699623 511860629 /nfs/dbraw/zinc/86/06/29/511860629.db2.gz KTXZQYQRQITJRK-GFCCVEGCSA-N 0 3 366.849 2.603 20 5 FFBDHN Cc1ccc([C@@H](C)NC(=O)Nc2ccnn2CCN(C)C)cc1[N+](=O)[O-] ZINC000296710910 511865901 /nfs/dbraw/zinc/86/59/01/511865901.db2.gz ATIRYSHAQFVIBC-CYBMUJFWSA-N 0 3 360.418 2.544 20 5 FFBDHN Cc1cc(Cl)c(C(=O)NCCCN2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000296731176 511873323 /nfs/dbraw/zinc/87/33/23/511873323.db2.gz NYYDYFASNCMQMP-CYBMUJFWSA-N 0 3 369.849 2.787 20 5 FFBDHN C[C@@H]1CN(C2CCOCC2)CCN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC000296908409 511946007 /nfs/dbraw/zinc/94/60/07/511946007.db2.gz ZUPALLUBXZKRBQ-CQSZACIVSA-N 0 3 356.426 2.833 20 5 FFBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2CCO[C@]3(CCOC3)C2)c1 ZINC000360063016 512070179 /nfs/dbraw/zinc/07/01/79/512070179.db2.gz XNPXYOOHSOKTSH-MLGOLLRUSA-N 0 3 358.341 2.624 20 5 FFBDHN C[C@@H]1CN(CC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H](C)O1 ZINC000364410175 512107323 /nfs/dbraw/zinc/10/73/23/512107323.db2.gz AUQMELSEKPGYKE-HUUCEWRRSA-N 0 3 361.442 2.556 20 5 FFBDHN COc1ccc(NC(=O)CCN2CCS[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411283156 512561866 /nfs/dbraw/zinc/56/18/66/512561866.db2.gz YNWNCYDEWCXVSO-NWDGAFQWSA-N 0 3 353.444 2.758 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)c1 ZINC000373942514 512584102 /nfs/dbraw/zinc/58/41/02/512584102.db2.gz HBGFQVZRSKPCQY-CVEARBPZSA-N 0 3 361.442 2.615 20 5 FFBDHN C[C@H]1[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCN1Cc1ccccc1 ZINC000383835696 512881508 /nfs/dbraw/zinc/88/15/08/512881508.db2.gz SXBJJCHULPGTKW-BLLLJJGKSA-N 0 3 372.400 2.709 20 5 FFBDHN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412214345 512999548 /nfs/dbraw/zinc/99/95/48/512999548.db2.gz GHQYQPGQECJZFR-ZGXWSNOMSA-N 0 3 365.433 2.912 20 5 FFBDHN CN1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC000412214343 513000163 /nfs/dbraw/zinc/00/01/63/513000163.db2.gz GHQYQPGQECJZFR-NMLBUPMWSA-N 0 3 365.433 2.912 20 5 FFBDHN C[C@H]1CN(CCCCNc2nccc3c2cccc3[N+](=O)[O-])C[C@H](C)O1 ZINC000450373562 513164521 /nfs/dbraw/zinc/16/45/21/513164521.db2.gz CSHDRCBVOAJXMQ-GJZGRUSLSA-N 0 3 358.442 2.866 20 5 FFBDHN C[C@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CC[C@H]1N1CCN(C)CC1 ZINC000450404053 513179966 /nfs/dbraw/zinc/17/99/66/513179966.db2.gz BTJDDZVJDVYPRB-HNAYVOBHSA-N 0 3 369.469 2.605 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000439914363 513209790 /nfs/dbraw/zinc/20/97/90/513209790.db2.gz XSQYPTSVAXAXHC-INIZCTEOSA-N 0 3 368.459 2.552 20 5 FFBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000428997147 513247056 /nfs/dbraw/zinc/24/70/56/513247056.db2.gz RYVYKWQUXBKSLB-BASYENTBSA-N 0 3 360.458 2.584 20 5 FFBDHN CC(C)C[C@@H](CN1CCCC1)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000450590274 513264639 /nfs/dbraw/zinc/26/46/39/513264639.db2.gz DIGGCYBLDYUAOV-ZDUSSCGKSA-N 0 3 359.430 2.588 20 5 FFBDHN CCC1(CC)[C@H](NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1OC ZINC000429284605 513325924 /nfs/dbraw/zinc/32/59/24/513325924.db2.gz KXXPJUMMLFOTLL-IAGOWNOFSA-N 0 3 361.442 2.667 20 5 FFBDHN CCC1(CC)[C@H](NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)[C@@H]1OC ZINC000429292041 513332399 /nfs/dbraw/zinc/33/23/99/513332399.db2.gz HTSIRZOWCTYXOO-XWIAVFTESA-N 0 3 363.458 2.987 20 5 FFBDHN Cn1c(CCN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc2ccccc21 ZINC000440494250 513334513 /nfs/dbraw/zinc/33/45/13/513334513.db2.gz IGMNQVXQJNMFDF-CQSZACIVSA-N 0 3 366.425 2.605 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000450814451 513352146 /nfs/dbraw/zinc/35/21/46/513352146.db2.gz VHTQNOLYQCKUTP-OAHLLOKOSA-N 0 3 366.425 2.596 20 5 FFBDHN C[C@@H]1CN(C2CCC2)CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000429370740 513354902 /nfs/dbraw/zinc/35/49/02/513354902.db2.gz FJSMAATWZVLBAN-DNVCBOLYSA-N 0 3 372.469 2.506 20 5 FFBDHN COc1ccc(OCCN[C@@]2(CO)CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000440824223 513416981 /nfs/dbraw/zinc/41/69/81/513416981.db2.gz UFGBDRVOIMYVDN-HXUWFJFHSA-N 0 3 372.421 2.796 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000421779557 513423688 /nfs/dbraw/zinc/42/36/88/513423688.db2.gz NEXFNFXLWWCCSN-UHFFFAOYSA-N 0 3 363.458 2.831 20 5 FFBDHN CC1CCN(C[C@@H](O)CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413132565 513470652 /nfs/dbraw/zinc/47/06/52/513470652.db2.gz IYCYVYLNSQHVHP-LBPRGKRZSA-N 0 3 362.352 2.513 20 5 FFBDHN CNCc1cccc(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000415960119 513501398 /nfs/dbraw/zinc/50/13/98/513501398.db2.gz NPKISRZOGNGWHE-UHFFFAOYSA-N 0 3 356.382 2.609 20 5 FFBDHN C[C@H]1CN(CCCCNc2nccc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000413179976 513502518 /nfs/dbraw/zinc/50/25/18/513502518.db2.gz DCFCCUFNSSXUCN-GJZGRUSLSA-N 0 3 358.442 2.866 20 5 FFBDHN CC(C)(NC(=O)NCc1ccc2c(c1)CNC2)c1ccc([N+](=O)[O-])cc1 ZINC000418555726 513556024 /nfs/dbraw/zinc/55/60/24/513556024.db2.gz PUTUTLMWRLWVDW-UHFFFAOYSA-N 0 3 354.410 2.933 20 5 FFBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1NCCc2ccccc21 ZINC000418641090 513588474 /nfs/dbraw/zinc/58/84/74/513588474.db2.gz RTKCEDBLVRGHFH-QGZVFWFLSA-N 0 3 354.410 2.623 20 5 FFBDHN Cc1cc(OCC(=O)NCCN(C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000430396598 513643238 /nfs/dbraw/zinc/64/32/38/513643238.db2.gz ULDYRTJDROMLFJ-UHFFFAOYSA-N 0 3 357.410 2.530 20 5 FFBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CCCN2C2CCCCC2)c1 ZINC000435634961 513645514 /nfs/dbraw/zinc/64/55/14/513645514.db2.gz DNENSLWVKRKDIH-MRXNPFEDSA-N 0 3 367.471 2.670 20 5 FFBDHN N[C@@H](CC1CCCCC1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000448550860 513780014 /nfs/dbraw/zinc/78/00/14/513780014.db2.gz ZSICYHWQJGODGX-INIZCTEOSA-N 0 3 360.458 2.541 20 5 FFBDHN CCCCN(C)CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431040550 513813225 /nfs/dbraw/zinc/81/32/25/513813225.db2.gz XAKBNUXUSOPIHK-UHFFFAOYSA-N 0 3 358.236 2.819 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H]2CCCN(C[C@H](O)COCC(F)(F)F)C2)cc1 ZINC000451554153 513830287 /nfs/dbraw/zinc/83/02/87/513830287.db2.gz ZKCUFNCSFVKVHZ-HIFRSBDPSA-N 0 3 362.348 2.714 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCSC[C@@H]1C1CC1 ZINC000451656569 513893653 /nfs/dbraw/zinc/89/36/53/513893653.db2.gz UIHAPHHOYIBCBN-OAHLLOKOSA-N 0 3 365.455 2.759 20 5 FFBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCSC[C@@H]1C1CC1 ZINC000451658929 513895159 /nfs/dbraw/zinc/89/51/59/513895159.db2.gz YXTHLXFRIIYHBQ-OAHLLOKOSA-N 0 3 363.439 2.720 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431495424 513911426 /nfs/dbraw/zinc/91/14/26/513911426.db2.gz JHIWEFPKLPDWEY-LKFCYVNXSA-N 0 3 368.231 2.570 20 5 FFBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CCC(C)CC1 ZINC000448815073 513912657 /nfs/dbraw/zinc/91/26/57/513912657.db2.gz ZMYBGKPCHQFKFR-HNNXBMFYSA-N 0 3 371.441 2.631 20 5 FFBDHN CCOC(=O)[C@@H]1CCC[C@@H]1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000451777252 513974292 /nfs/dbraw/zinc/97/42/92/513974292.db2.gz VYVYCYNFVZOTJW-NFAWXSAZSA-N 0 3 363.414 2.552 20 5 FFBDHN CO[C@@H]([C@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000414181297 514000350 /nfs/dbraw/zinc/00/03/50/514000350.db2.gz LYDIPUINLURQIN-YHAQOWFVSA-N 0 3 355.822 2.978 20 5 FFBDHN CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCN(C2CC2)C1 ZINC000431942250 514046519 /nfs/dbraw/zinc/04/65/19/514046519.db2.gz YWTPKNIYHBOLEB-CYBMUJFWSA-N 0 3 368.231 2.666 20 5 FFBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1cccc(NS(C)(=O)=O)c1 ZINC000449068262 514058849 /nfs/dbraw/zinc/05/88/49/514058849.db2.gz RMXZJOVIHOGZRJ-CYBMUJFWSA-N 0 3 363.439 2.687 20 5 FFBDHN CCCCN1CCC(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000414456248 514128012 /nfs/dbraw/zinc/12/80/12/514128012.db2.gz ITDSRYOAULSIRD-UHFFFAOYSA-N 0 3 369.487 2.754 20 5 FFBDHN COC(=O)[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1c1ccccc1 ZINC000452010798 514134855 /nfs/dbraw/zinc/13/48/55/514134855.db2.gz WFOCZKRHYOJPJL-QZTJIDSGSA-N 0 3 370.405 2.992 20 5 FFBDHN CCO[C@@H]1CCCC[C@H]1N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000452033050 514149100 /nfs/dbraw/zinc/14/91/00/514149100.db2.gz FHGVUEAQRUAEFS-DXCKQFNASA-N 0 3 365.430 2.868 20 5 FFBDHN O=[N+]([O-])c1cccc2c(N3CCN(CC4CCOCC4)CC3)ccnc21 ZINC000432323606 514158793 /nfs/dbraw/zinc/15/87/93/514158793.db2.gz DCVMBJKWZMTBQS-UHFFFAOYSA-N 0 3 356.426 2.692 20 5 FFBDHN O=[N+]([O-])c1cc(CN2CCC3(CCC(O)CC3)CC2)c2c(c1)COCO2 ZINC000449368778 514184040 /nfs/dbraw/zinc/18/40/40/514184040.db2.gz NSMISVWAYZDYNN-UHFFFAOYSA-N 0 3 362.426 2.978 20 5 FFBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](CO)c1ccc(F)cc1 ZINC000449380238 514187311 /nfs/dbraw/zinc/18/73/11/514187311.db2.gz MIGMHSJNBFDAFL-SJKOYZFVSA-N 0 3 361.373 2.774 20 5 FFBDHN CCc1ccccc1[C@@H](N)CNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000417177990 514212743 /nfs/dbraw/zinc/21/27/43/514212743.db2.gz DGMDMNQBVMFNMM-INIZCTEOSA-N 0 3 372.425 2.665 20 5 FFBDHN CSc1cccc(C(=O)NCCCN2CCCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000432573648 514230277 /nfs/dbraw/zinc/23/02/77/514230277.db2.gz GKWOUSYNLCIKGG-CYBMUJFWSA-N 0 3 367.471 2.547 20 5 FFBDHN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)CNC3)cc1OC ZINC000449662930 514288720 /nfs/dbraw/zinc/28/87/20/514288720.db2.gz HTSLQVBCFDSAQR-UHFFFAOYSA-N 0 3 357.366 2.858 20 5 FFBDHN NC(=O)c1cccc(N[C@H]2CCCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000439098498 514493054 /nfs/dbraw/zinc/49/30/54/514493054.db2.gz JMJYFWSITUNVBY-HNNXBMFYSA-N 0 3 354.410 2.770 20 5 FFBDHN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000445717365 514510437 /nfs/dbraw/zinc/51/04/37/514510437.db2.gz CSZVITBXTUAUNU-SFHVURJKSA-N 0 3 353.422 2.918 20 5 FFBDHN O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)Nc1ccc([N+](=O)[O-])cc1F ZINC000461112924 514519078 /nfs/dbraw/zinc/51/90/78/514519078.db2.gz NVROVDARCXEFCS-OAHLLOKOSA-N 0 3 374.372 2.945 20 5 FFBDHN CCOC(=O)[C@]1(COC)CCCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000439474913 514560611 /nfs/dbraw/zinc/56/06/11/514560611.db2.gz XVLOCNLZUAEBPU-KBXCAEBGSA-N 0 3 350.415 2.948 20 5 FFBDHN C[C@H](NCCn1cc(Br)ccc1=O)c1ccc([N+](=O)[O-])cc1 ZINC000453241627 514576566 /nfs/dbraw/zinc/57/65/66/514576566.db2.gz DPVPNRAVYBHJEU-NSHDSACASA-N 0 3 366.215 2.870 20 5 FFBDHN COc1ccc(-c2ccc(CNC[C@@]3(OC)CCOC3)o2)c([N+](=O)[O-])c1 ZINC000461428802 514612480 /nfs/dbraw/zinc/61/24/80/514612480.db2.gz NGAGMTCRHXAVSS-SFHVURJKSA-N 0 3 362.382 2.759 20 5 FFBDHN CN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475319788 514618178 /nfs/dbraw/zinc/61/81/78/514618178.db2.gz UVXUCPRDAAVANC-SFHVURJKSA-N 0 3 369.421 2.707 20 5 FFBDHN COc1c(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)cccc1[N+](=O)[O-] ZINC000475321767 514618628 /nfs/dbraw/zinc/61/86/28/514618628.db2.gz XVRLXQXCKDAUGE-KRWDZBQOSA-N 0 3 357.410 2.945 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000488889072 514620643 /nfs/dbraw/zinc/62/06/43/514620643.db2.gz JKYGNZMJXOJSBJ-INIZCTEOSA-N 0 3 361.373 2.775 20 5 FFBDHN COC1CCN(C2(CNC(=O)c3ccccc3[N+](=O)[O-])CCCC2)CC1 ZINC000502529390 514683871 /nfs/dbraw/zinc/68/38/71/514683871.db2.gz MWTFFYTZXFURTJ-UHFFFAOYSA-N 0 3 361.442 2.748 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000466557840 514690326 /nfs/dbraw/zinc/69/03/26/514690326.db2.gz YOPRYVOXVJZJPB-KBXCAEBGSA-N 0 3 360.458 2.699 20 5 FFBDHN CN(C)CC1(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000466573269 514696135 /nfs/dbraw/zinc/69/61/35/514696135.db2.gz MTWZXRGECHEXEO-UHFFFAOYSA-N 0 3 355.822 2.618 20 5 FFBDHN Cc1cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1CN(C)C ZINC000458309422 514700855 /nfs/dbraw/zinc/70/08/55/514700855.db2.gz FNYIWIWYERUVLL-UHFFFAOYSA-N 0 3 371.393 2.988 20 5 FFBDHN CCn1nc(C)c([N+](=O)[O-])c1NCC1(N2CCC(OC)CC2)CCCC1 ZINC000479969508 514792460 /nfs/dbraw/zinc/79/24/60/514792460.db2.gz NXKUTIAXKMPDSA-UHFFFAOYSA-N 0 3 365.478 2.955 20 5 FFBDHN COCC[C@@H](N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)(C)C ZINC000508989143 514978227 /nfs/dbraw/zinc/97/82/27/514978227.db2.gz ZLTQKUZXMARFHX-BLLLJJGKSA-N 0 3 367.446 2.971 20 5 FFBDHN COCC[C@H](N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)(C)C ZINC000508989145 514978538 /nfs/dbraw/zinc/97/85/38/514978538.db2.gz ZLTQKUZXMARFHX-LRDDRELGSA-N 0 3 367.446 2.971 20 5 FFBDHN CC(C)N(CCN(C)c1cccc(S(C)(=O)=O)c1[N+](=O)[O-])C(C)C ZINC000503301720 514994551 /nfs/dbraw/zinc/99/45/51/514994551.db2.gz JTJMDFNCPKENIC-UHFFFAOYSA-N 0 3 357.476 2.553 20 5 FFBDHN CCN1CCN([C@H](C)CNc2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000509028054 514995229 /nfs/dbraw/zinc/99/52/29/514995229.db2.gz AAWFUBYBDWOWLA-GFCCVEGCSA-N 0 3 358.389 2.634 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC(C)(C)CN2CCCC2)c1 ZINC000480762059 515072760 /nfs/dbraw/zinc/07/27/60/515072760.db2.gz YVRXIDCTQXWYHJ-UHFFFAOYSA-N 0 3 369.487 2.612 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H](c3ccccc3F)C2)c1 ZINC000503702942 515124948 /nfs/dbraw/zinc/12/49/48/515124948.db2.gz RSFSGNRUTIFDBE-GOEBONIOSA-N 0 3 360.385 2.963 20 5 FFBDHN Cc1ccc(C)c(S(=O)(=O)[N-]CCC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000481079263 515198454 /nfs/dbraw/zinc/19/84/54/515198454.db2.gz XJTSJLHQYCLHIU-UHFFFAOYSA-N 0 3 371.503 2.999 20 5 FFBDHN C[C@@H](N[C@H]1CCN(C(=O)COc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000509531889 515220726 /nfs/dbraw/zinc/22/07/26/515220726.db2.gz GTOXLHXDKUGNIN-WBVHZDCISA-N 0 3 369.421 2.925 20 5 FFBDHN COc1cc(NCCCN2CCN(c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000462795457 515248523 /nfs/dbraw/zinc/24/85/23/515248523.db2.gz SQCQLXYAGCVOHM-UHFFFAOYSA-N 0 3 371.441 2.623 20 5 FFBDHN CS[C@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1N1CCCC1 ZINC000509622060 515262105 /nfs/dbraw/zinc/26/21/05/515262105.db2.gz BFIIWQYJFAVELL-CVEARBPZSA-N 0 3 357.426 2.885 20 5 FFBDHN COc1ccc(CNc2cccc(CN3CC[C@H](O)C3)c2)cc1[N+](=O)[O-] ZINC000462856903 515271154 /nfs/dbraw/zinc/27/11/54/515271154.db2.gz UMCNEOWVCUAISV-KRWDZBQOSA-N 0 3 357.410 2.782 20 5 FFBDHN CNc1c(C(=O)NC[C@H](Cc2ccccc2)N(C)C)cccc1[N+](=O)[O-] ZINC000462907850 515292931 /nfs/dbraw/zinc/29/29/31/515292931.db2.gz UQUUMHYUMWCFCL-HNNXBMFYSA-N 0 3 356.426 2.539 20 5 FFBDHN Cn1c(C(=O)N2CCN(C(C)(C)CC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000456698339 515362377 /nfs/dbraw/zinc/36/23/77/515362377.db2.gz RGQZINGFKZSLOT-UHFFFAOYSA-N 0 3 350.463 2.906 20 5 FFBDHN O=C(Cc1ccccc1)N1CCC[C@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000509976704 515389366 /nfs/dbraw/zinc/38/93/66/515389366.db2.gz ILWSDYDDNGWBOB-SFHVURJKSA-N 0 3 353.422 2.918 20 5 FFBDHN Cc1ccc(CN[C@H]2CCN(C(=O)COc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000509988874 515393930 /nfs/dbraw/zinc/39/39/30/515393930.db2.gz JBIQOWUOIBJSKR-KRWDZBQOSA-N 0 3 369.421 2.673 20 5 FFBDHN CCC[C@H]1CN(c2ccc([N+](=O)[O-])c(OCC)c2)CCN1CCOC ZINC000499640864 515394956 /nfs/dbraw/zinc/39/49/56/515394956.db2.gz KKLHCUWMYPWHES-INIZCTEOSA-N 0 3 351.447 2.931 20 5 FFBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000499879358 515490849 /nfs/dbraw/zinc/49/08/49/515490849.db2.gz RZFIRMGACYIUBD-ZFWWWQNUSA-N 0 3 354.410 2.742 20 5 FFBDHN CC1(C)CCCN1CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000457048068 515607655 /nfs/dbraw/zinc/60/76/55/515607655.db2.gz DHRMEAVJBANWAZ-UHFFFAOYSA-N 0 3 357.357 2.800 20 5 FFBDHN COc1cc(CN[C@@H]2CCC[C@@]2(C)CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000493738914 515660333 /nfs/dbraw/zinc/66/03/33/515660333.db2.gz WECMUJQAOSHEQN-WBVHZDCISA-N 0 3 374.384 2.888 20 5 FFBDHN COC(=O)c1ccccc1OCCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000511120716 515792140 /nfs/dbraw/zinc/79/21/40/515792140.db2.gz DDFBXWUMXJREOR-UHFFFAOYSA-N 0 3 358.394 2.935 20 5 FFBDHN C[C@H](CN1CCN(c2ccccn2)CC1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000483154191 515956807 /nfs/dbraw/zinc/95/68/07/515956807.db2.gz IEHJSNQYZLDJFN-SJORKVTESA-N 0 3 369.469 2.851 20 5 FFBDHN CN(C)CCN(CC1CCCCC1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000501227261 516021899 /nfs/dbraw/zinc/02/18/99/516021899.db2.gz MFADXUXYAIBIGS-UHFFFAOYSA-N 0 3 363.458 2.944 20 5 FFBDHN COc1cc(CN2CCN(C)[C@H](C(C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000487948452 516047271 /nfs/dbraw/zinc/04/72/71/516047271.db2.gz DLRNHBAWPQCVHH-AWEZNQCLSA-N 0 3 373.400 2.977 20 5 FFBDHN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC000460208861 516068907 /nfs/dbraw/zinc/06/89/07/516068907.db2.gz HPXRHCGOIZWVCR-ZIAGYGMSSA-N 0 3 358.446 2.792 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000507271135 516149636 /nfs/dbraw/zinc/14/96/36/516149636.db2.gz FCMBZPIDEOGBBO-CYBMUJFWSA-N 0 3 369.487 2.692 20 5 FFBDHN C[C@@H]1CSC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000512204768 516197165 /nfs/dbraw/zinc/19/71/65/516197165.db2.gz VPBSWEDTMZJGQL-PELKAZGASA-N 0 3 374.260 2.637 20 5 FFBDHN CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)N1CCc2ccccc2C1 ZINC000501818000 516234492 /nfs/dbraw/zinc/23/44/92/516234492.db2.gz ULDOJFCCZOARNX-SFHVURJKSA-N 0 3 370.453 2.746 20 5 FFBDHN CCn1cc([C@@H]2NC(=O)CC[C@H]2N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000488483951 516236590 /nfs/dbraw/zinc/23/65/90/516236590.db2.gz IFRFMBJONUAMRO-NRXGSXMXSA-N 0 3 371.441 2.790 20 5 FFBDHN Cc1c(Br)c(N2CC[C@]3(CCN(C)C3)C2)ncc1[N+](=O)[O-] ZINC000488743163 516298510 /nfs/dbraw/zinc/29/85/10/516298510.db2.gz HBSUGVKZJBJVTJ-AWEZNQCLSA-N 0 3 355.236 2.593 20 5 FFBDHN COc1ccc(CC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000547437927 516337122 /nfs/dbraw/zinc/33/71/22/516337122.db2.gz DQVLNGVJVMXQQO-VBKZILBWSA-N 0 3 371.437 2.954 20 5 FFBDHN O=C(N1CCCC1)N1CCC[C@@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000517586818 516377268 /nfs/dbraw/zinc/37/72/68/516377268.db2.gz VVPPQXIBJLIFDH-RHSMWYFYSA-N 0 3 358.442 2.852 20 5 FFBDHN COc1ccc(NC(=O)NCCN2[C@H](C)CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000543887970 516481020 /nfs/dbraw/zinc/48/10/20/516481020.db2.gz QGKMRVSPPHDOLG-CHWSQXEVSA-N 0 3 350.419 2.988 20 5 FFBDHN Cc1cc(C)cc(OC[C@H](O)CNCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000517925368 516495327 /nfs/dbraw/zinc/49/53/27/516495327.db2.gz HIJVMLIHPFCEOD-QGZVFWFLSA-N 0 3 360.410 2.620 20 5 FFBDHN C[C@H](O)CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000554544975 516500429 /nfs/dbraw/zinc/50/04/29/516500429.db2.gz XXHUPJMVKXXFRI-HNNXBMFYSA-N 0 3 357.410 2.806 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNC1(c2ccccc2)CCOCC1 ZINC000544070454 516568185 /nfs/dbraw/zinc/56/81/85/516568185.db2.gz ABUULCVURBZGNL-QGZVFWFLSA-N 0 3 372.421 2.630 20 5 FFBDHN COc1cc(C[C@@H](CO)CNCc2csc([N+](=O)[O-])c2)cc(OC)c1 ZINC000540612778 516640927 /nfs/dbraw/zinc/64/09/27/516640927.db2.gz QXURPSSBMWDURY-CYBMUJFWSA-N 0 3 366.439 2.614 20 5 FFBDHN COCCN1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000536391299 516748105 /nfs/dbraw/zinc/74/81/05/516748105.db2.gz UHPNZZPYZMGKNQ-INIZCTEOSA-N 0 3 356.426 2.601 20 5 FFBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@@H](C)C1 ZINC000561762681 516758338 /nfs/dbraw/zinc/75/83/38/516758338.db2.gz PTYKIIXRYKWZSH-DCGLDWPTSA-N 0 3 356.426 2.878 20 5 FFBDHN C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CCN1Cc1ccccc1 ZINC000524708486 516795918 /nfs/dbraw/zinc/79/59/18/516795918.db2.gz KQUWLAKUHANKEI-OAHLLOKOSA-N 0 3 356.426 2.670 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000544607742 516834072 /nfs/dbraw/zinc/83/40/72/516834072.db2.gz CYVIELOGDGQJDI-UHFFFAOYSA-N 0 3 359.348 2.794 20 5 FFBDHN Cc1ccc(S(=O)(=O)C[C@H](C)NCCc2cccc([N+](=O)[O-])c2)cc1 ZINC000544613705 516838351 /nfs/dbraw/zinc/83/83/51/516838351.db2.gz LLDKJSASFXAWMR-HNNXBMFYSA-N 0 3 362.451 2.898 20 5 FFBDHN CCN1CC[C@H](N(C)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000524881120 516858348 /nfs/dbraw/zinc/85/83/48/516858348.db2.gz UTVCOVPJZIOBRY-PBHICJAKSA-N 0 3 371.441 2.725 20 5 FFBDHN O=C1C[C@@]2(CN1)CCCN(Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000536659632 516880181 /nfs/dbraw/zinc/88/01/81/516880181.db2.gz DFHPIUKEVFIEIK-LJQANCHMSA-N 0 3 355.394 2.957 20 5 FFBDHN Cc1nn(-c2ccccn2)c(C)c1CNCCOc1ccc([N+](=O)[O-])cc1 ZINC000558781799 516941783 /nfs/dbraw/zinc/94/17/83/516941783.db2.gz AQVPZJNUDLSHDV-UHFFFAOYSA-N 0 3 367.409 2.961 20 5 FFBDHN CCN1CCCC[C@@H]1CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000552044174 517047443 /nfs/dbraw/zinc/04/74/43/517047443.db2.gz SYQQNTPYUKSWAT-QZTJIDSGSA-N 0 3 357.458 2.882 20 5 FFBDHN Cc1cc(N2CCC[C@@H](N[C@H]3CCc4c3cccc4[N+](=O)[O-])C2)n(C)n1 ZINC000519643217 517101452 /nfs/dbraw/zinc/10/14/52/517101452.db2.gz GPVCIJDWTCAORW-PBHICJAKSA-N 0 3 355.442 2.883 20 5 FFBDHN CC[C@@H](C)N[C@H](CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])c1ccco1 ZINC000519658818 517109347 /nfs/dbraw/zinc/10/93/47/517109347.db2.gz DIDWMDOCUKNRBA-VXGBXAGGSA-N 0 3 363.418 2.894 20 5 FFBDHN CCCCN1CCC(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)CC1 ZINC000541827047 517235913 /nfs/dbraw/zinc/23/59/13/517235913.db2.gz MMEYJZUEQOAZCB-UHFFFAOYSA-N 0 3 369.487 2.754 20 5 FFBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000520058907 517267104 /nfs/dbraw/zinc/26/71/04/517267104.db2.gz NBHGCPFDAMNIAN-MRXNPFEDSA-N 0 3 356.426 2.718 20 5 FFBDHN O=C(C1CC1)N1CCC(NCc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000533088465 517289021 /nfs/dbraw/zinc/28/90/21/517289021.db2.gz CTOPWEGZQOBOPE-UHFFFAOYSA-N 0 3 369.368 2.687 20 5 FFBDHN CCc1ccc(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)cc1[N+](=O)[O-] ZINC000552516031 517290572 /nfs/dbraw/zinc/29/05/72/517290572.db2.gz GQNIPZIVIVVHTC-GOSISDBHSA-N 0 3 369.421 2.976 20 5 FFBDHN C[C@@H](CN1CCCCC1)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541941768 517303780 /nfs/dbraw/zinc/30/37/80/517303780.db2.gz GNRJHWBUQSVCHY-NSHDSACASA-N 0 3 357.357 2.800 20 5 FFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC1(CN(C)C)CCC1 ZINC000556434281 517427876 /nfs/dbraw/zinc/42/78/76/517427876.db2.gz IMJJOHODQDWIJT-UHFFFAOYSA-N 0 3 370.247 2.880 20 5 FFBDHN CCCC[C@@H](C)[C@H](C)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000515909232 517509452 /nfs/dbraw/zinc/50/94/52/517509452.db2.gz LEFDGXAKFBDHTJ-KGLIPLIRSA-N 0 3 357.476 2.678 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](C)[C@H]1COc2ccccc21 ZINC000542626204 517657776 /nfs/dbraw/zinc/65/77/76/517657776.db2.gz LDCGCEGGHAMQJW-DZGCQCFKSA-N 0 3 355.394 2.996 20 5 FFBDHN CCCN1CCC[C@H]1CNC(=O)c1cc(OC)c(OCC)cc1[N+](=O)[O-] ZINC000553353283 517662774 /nfs/dbraw/zinc/66/27/74/517662774.db2.gz SPDWTGXKVKTHAA-ZDUSSCGKSA-N 0 3 365.430 2.606 20 5 FFBDHN CC(C)(CO)[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000563137404 517687956 /nfs/dbraw/zinc/68/79/56/517687956.db2.gz DZYBRXIHBOFZHM-GOSISDBHSA-N 0 3 372.425 2.668 20 5 FFBDHN CC(=O)NCCN(C/C=C\c1ccccc1[N+](=O)[O-])C1CCSCC1 ZINC000549852311 517745869 /nfs/dbraw/zinc/74/58/69/517745869.db2.gz ILDRDNHRGISRTI-XQRVVYSFSA-N 0 3 363.483 2.942 20 5 FFBDHN CC(C)C[C@@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)N(C)C ZINC000542903315 517805470 /nfs/dbraw/zinc/80/54/70/517805470.db2.gz XFVBRGZAYHJKKI-LBPRGKRZSA-N 0 3 359.373 2.902 20 5 FFBDHN C[C@@H]1CN(CCCCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@@H](C)O1 ZINC000534256504 517808219 /nfs/dbraw/zinc/80/82/19/517808219.db2.gz QMAXMXOQPOXZSI-ZIAGYGMSSA-N 0 3 374.441 2.695 20 5 FFBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000516826136 517859248 /nfs/dbraw/zinc/85/92/48/517859248.db2.gz OROYAWHIIAEYGA-UGSOOPFHSA-N 0 3 373.457 2.600 20 5 FFBDHN CCc1ccccc1[C@@H](N)CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000563569871 517990583 /nfs/dbraw/zinc/99/05/83/517990583.db2.gz AZSNQWYBCGWWGK-SFHVURJKSA-N 0 3 372.425 2.535 20 5 FFBDHN COc1cc(CNCCN2CC[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000539813154 518166957 /nfs/dbraw/zinc/16/69/57/518166957.db2.gz DKXGSDDIPBSIHL-LBPRGKRZSA-N 0 3 373.400 2.679 20 5 FFBDHN CC[C@@H](C)N[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000569640884 518214889 /nfs/dbraw/zinc/21/48/89/518214889.db2.gz MRDFNZYOHJBOAK-CZUORRHYSA-N 0 3 361.398 2.812 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000569790596 518292516 /nfs/dbraw/zinc/29/25/16/518292516.db2.gz FCHYGLWDTHCJMB-HZPDHXFCSA-N 0 3 353.850 2.981 20 5 FFBDHN C[C@H](NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1=CCN(C)CC1 ZINC000564076632 518296181 /nfs/dbraw/zinc/29/61/81/518296181.db2.gz MSQPKWURFSGOKA-ZDUSSCGKSA-N 0 3 371.441 2.568 20 5 FFBDHN COC(=O)COc1cccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000567061514 518334575 /nfs/dbraw/zinc/33/45/75/518334575.db2.gz YRZUBYKJICJIPR-QGZVFWFLSA-N 0 3 356.378 2.924 20 5 FFBDHN CCN(C[C@H]1CCCN1CC)C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000581685635 518407452 /nfs/dbraw/zinc/40/74/52/518407452.db2.gz VTZBJBSJEPUYPR-CYBMUJFWSA-N 0 3 365.430 2.558 20 5 FFBDHN CCOc1cccc([C@@H]2C[C@H]2NC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000567346643 518477315 /nfs/dbraw/zinc/47/73/15/518477315.db2.gz SKFZNFPNGFFPAD-BPQIPLTHSA-N 0 3 372.421 2.879 20 5 FFBDHN CC(C)OCCN1CCC(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000567556046 518581964 /nfs/dbraw/zinc/58/19/64/518581964.db2.gz RNUAQUBNKMVJSB-OAHLLOKOSA-N 0 3 363.458 2.704 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2nnc(N3CCN(CC4CC4)CC3)n2C2CC2)c1 ZINC000564805593 518623687 /nfs/dbraw/zinc/62/36/87/518623687.db2.gz FLLWUZYQCNKSKV-UHFFFAOYSA-N 0 3 368.441 2.720 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1ccc(OC(F)F)cc1 ZINC000570479203 518626487 /nfs/dbraw/zinc/62/64/87/518626487.db2.gz CIAYKMNEJIKPOH-ZDUSSCGKSA-N 0 3 368.336 2.726 20 5 FFBDHN CC(C)(C)CCN1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000587405692 518678629 /nfs/dbraw/zinc/67/86/29/518678629.db2.gz VGYPKHFWRBACQL-UHFFFAOYSA-N 0 3 359.430 2.802 20 5 FFBDHN CNC(=O)[C@@H](CNCc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1C ZINC000564960834 518715480 /nfs/dbraw/zinc/71/54/80/518715480.db2.gz IZNDCRGJCCIGDV-MRXNPFEDSA-N 0 3 359.401 2.737 20 5 FFBDHN CO[C@@H](C)[C@H](C)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000579604828 518762572 /nfs/dbraw/zinc/76/25/72/518762572.db2.gz MOEIYLGYBQNYHS-IUCAKERBSA-N 0 3 364.183 2.712 20 5 FFBDHN C[C@H]1COCCN1C1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000565170698 518822356 /nfs/dbraw/zinc/82/23/56/518822356.db2.gz JVJIBIOBXRRFHR-ZDUSSCGKSA-N 0 3 353.850 2.933 20 5 FFBDHN CC(=O)N1C[C@@H]2CCC[C@@H](NCc3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000588978432 518887028 /nfs/dbraw/zinc/88/70/28/518887028.db2.gz GNYLDTUHJDOUSI-CWRNSKLLSA-N 0 3 351.834 2.985 20 5 FFBDHN CC(C)[C@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000579858521 518890572 /nfs/dbraw/zinc/89/05/72/518890572.db2.gz FDFJXHKPAYMXHH-QGZVFWFLSA-N 0 3 363.414 2.640 20 5 FFBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@]1(N(C)C)CCSC1 ZINC000580176336 519044584 /nfs/dbraw/zinc/04/45/84/519044584.db2.gz PAMOZVAUXSKJBB-INIZCTEOSA-N 0 3 353.444 2.539 20 5 FFBDHN CC(=O)N1C[C@@H]2CCC[C@H](NCc3c(F)cc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000574236202 519053890 /nfs/dbraw/zinc/05/38/90/519053890.db2.gz SASQZYLRCNELRZ-KHIZAZIESA-N 0 3 353.369 2.610 20 5 FFBDHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCCN(C2CCCC2)CC1 ZINC000589839030 519088292 /nfs/dbraw/zinc/08/82/92/519088292.db2.gz OVILHSYRTYXROO-UHFFFAOYSA-N 0 3 367.396 2.892 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CCSc3ccc(Cl)cc32)c1 ZINC000580277022 519092495 /nfs/dbraw/zinc/09/24/95/519092495.db2.gz NIPNCDPJKPLNGE-OCCSQVGLSA-N 0 3 368.846 2.632 20 5 FFBDHN CN(C)C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Cl)cc1 ZINC000571476678 519113951 /nfs/dbraw/zinc/11/39/51/519113951.db2.gz KGBXDORJJNFTFY-GFCCVEGCSA-N 0 3 351.790 2.916 20 5 FFBDHN C[C@H](c1ccccc1)[C@H](NCCCOc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000590000483 519125169 /nfs/dbraw/zinc/12/51/69/519125169.db2.gz GLRAVSGOJCOAEO-KDOFPFPSSA-N 0 3 357.410 2.611 20 5 FFBDHN COC(=O)C1CCN(CCCNc2cc(OC)c(C)cc2[N+](=O)[O-])CC1 ZINC000590579985 519273158 /nfs/dbraw/zinc/27/31/58/519273158.db2.gz ALUWOQZYWNMBFQ-UHFFFAOYSA-N 0 3 365.430 2.599 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H](c3ccccn3)C2)c1 ZINC000590602695 519285051 /nfs/dbraw/zinc/28/50/51/519285051.db2.gz VTQMLTRXAQRLKZ-RDJZCZTQSA-N 0 3 357.410 2.609 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000590656886 519303552 /nfs/dbraw/zinc/30/35/52/519303552.db2.gz FSEXDIZUDBNOHP-CGTJXYLNSA-N 0 3 362.426 2.897 20 5 FFBDHN CC(C)(CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)C1(O)CCCC1 ZINC000590663621 519307101 /nfs/dbraw/zinc/30/71/01/519307101.db2.gz MAQMPCZAOWOOLF-UHFFFAOYSA-N 0 3 350.415 2.787 20 5 FFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCN1CC[C@@H](C)C1 ZINC000578030769 519381776 /nfs/dbraw/zinc/38/17/76/519381776.db2.gz PTXDBFLVOWLZIB-SNVBAGLBSA-N 0 3 370.247 2.737 20 5 FFBDHN CC(C)(NCCC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1 ZINC000591018804 519479382 /nfs/dbraw/zinc/47/93/82/519479382.db2.gz YEXNLIOZMIMRHR-UHFFFAOYSA-N 0 3 370.409 2.930 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](O)[C@H]1CCc1ccccc1 ZINC000602851524 519924320 /nfs/dbraw/zinc/92/43/20/519924320.db2.gz LOIRZUISEHHLNW-QZTJIDSGSA-N 0 3 358.442 2.558 20 5 FFBDHN CCN1[C@H](C)CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000602875149 519942246 /nfs/dbraw/zinc/94/22/46/519942246.db2.gz WNMGNDXWXUTZGS-TXEJJXNPSA-N 0 3 354.838 2.601 20 5 FFBDHN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCNCC3(C)C)cc2[N+](=O)[O-])C1 ZINC000591677847 519994298 /nfs/dbraw/zinc/99/42/98/519994298.db2.gz HAKBLQVGFWMOQI-HUUCEWRRSA-N 0 3 374.485 2.901 20 5 FFBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCNC2(CCCCC2)C1 ZINC000594628775 520060972 /nfs/dbraw/zinc/06/09/72/520060972.db2.gz JPWPMGZXHAXVFE-UHFFFAOYSA-N 0 3 356.426 2.753 20 5 FFBDHN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCCN(c2ccncc2)CC1 ZINC000603083255 520069024 /nfs/dbraw/zinc/06/90/24/520069024.db2.gz JBSINCONAAPXSM-UHFFFAOYSA-N 0 3 365.393 2.824 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CNc1ccc([C@H]3CNCCO3)cc1)OCCO2 ZINC000594738275 520124973 /nfs/dbraw/zinc/12/49/73/520124973.db2.gz CMGATETUVILTLZ-LJQANCHMSA-N 0 3 371.393 2.639 20 5 FFBDHN COc1ccc(-c2ccc(CNCCCn3cncn3)o2)c([N+](=O)[O-])c1 ZINC000608835800 520140412 /nfs/dbraw/zinc/14/04/12/520140412.db2.gz SMZYRVSFXDPUNO-UHFFFAOYSA-N 0 3 357.370 2.635 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H]1CCN(C(C)(C)C)C1 ZINC000594791307 520160050 /nfs/dbraw/zinc/16/00/50/520160050.db2.gz NWDXKHWYGFOISE-AWEZNQCLSA-N 0 3 369.487 2.610 20 5 FFBDHN COc1ccc(CC(=O)Nc2cccc(OCCN(C)C)c2)cc1[N+](=O)[O-] ZINC000609011373 520176981 /nfs/dbraw/zinc/17/69/81/520176981.db2.gz SQVCUPMPTUBYSC-UHFFFAOYSA-N 0 3 373.409 2.725 20 5 FFBDHN COc1ccc(-c2ccc(CNC3CCN(C(C)=O)CC3)o2)c([N+](=O)[O-])c1 ZINC000609006664 520177498 /nfs/dbraw/zinc/17/74/98/520177498.db2.gz OXQXFKNDTZABRI-UHFFFAOYSA-N 0 3 373.409 2.964 20 5 FFBDHN Cn1cc(CCN(Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)cn1 ZINC000592130999 520205831 /nfs/dbraw/zinc/20/58/31/520205831.db2.gz OSSMSKWHBKYHCC-IYARVYRRSA-N 0 3 358.442 2.677 20 5 FFBDHN CC(C)(C)N1C[C@H](CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CC1=O ZINC000594992051 520245598 /nfs/dbraw/zinc/24/55/98/520245598.db2.gz ACPJFKOWFQWGAT-NSHDSACASA-N 0 3 371.384 2.933 20 5 FFBDHN C[C@@H]1CC2(CN1[C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CCOCC2 ZINC000592183920 520249802 /nfs/dbraw/zinc/24/98/02/520249802.db2.gz LFJILTUSDNKZTN-PBHICJAKSA-N 0 3 359.426 2.591 20 5 FFBDHN CC(C)(CNCc1cc([N+](=O)[O-])ccc1OC(F)F)[C@]1(O)CCCOC1 ZINC000594997489 520249732 /nfs/dbraw/zinc/24/97/32/520249732.db2.gz XGMQYZLZQVEYLG-KRWDZBQOSA-N 0 3 374.384 2.854 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H]1CCCN(c2ncccn2)C1 ZINC000595010196 520254922 /nfs/dbraw/zinc/25/49/22/520254922.db2.gz IQCMFUSZIIRDHW-KGLIPLIRSA-N 0 3 357.414 2.713 20 5 FFBDHN Cn1ccnc1[C@@H](N[C@@H]1CCN(C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595056503 520272448 /nfs/dbraw/zinc/27/24/48/520272448.db2.gz KAFKUOFDGUBJCL-WBVHZDCISA-N 0 3 357.458 2.880 20 5 FFBDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000597857339 520284205 /nfs/dbraw/zinc/28/42/05/520284205.db2.gz DUVNYXZRDXCNDY-HNNXBMFYSA-N 0 3 360.458 2.798 20 5 FFBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000595095189 520291652 /nfs/dbraw/zinc/29/16/52/520291652.db2.gz GLYWICATEKLMCD-BHIYHBOVSA-N 0 3 357.454 2.815 20 5 FFBDHN Cc1cc(C(=O)N2CC[C@H](c3cccc(F)c3)[C@H](N)C2)cc([N+](=O)[O-])c1 ZINC000595223776 520357962 /nfs/dbraw/zinc/35/79/62/520357962.db2.gz AMFILACLRGGPAR-QZTJIDSGSA-N 0 3 357.385 2.999 20 5 FFBDHN COc1cc(CNCCc2cn3c(cccc3C)n2)c([N+](=O)[O-])cc1OC ZINC000592379382 520359539 /nfs/dbraw/zinc/35/95/39/520359539.db2.gz NADCYEPFRQTLSJ-UHFFFAOYSA-N 0 3 370.409 2.900 20 5 FFBDHN Cc1c(CNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)cccc1[N+](=O)[O-] ZINC000595246819 520369760 /nfs/dbraw/zinc/36/97/60/520369760.db2.gz QFHZMIMNEKMEDQ-SFHVURJKSA-N 0 3 370.409 2.886 20 5 FFBDHN CN(C)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1Cl ZINC000609738001 520417493 /nfs/dbraw/zinc/41/74/93/520417493.db2.gz ADFIYVLJHNZVOB-UHFFFAOYSA-N 0 3 352.778 2.769 20 5 FFBDHN C[NH+](C)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]2)cc1Cl ZINC000609738001 520417497 /nfs/dbraw/zinc/41/74/97/520417497.db2.gz ADFIYVLJHNZVOB-UHFFFAOYSA-N 0 3 352.778 2.769 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCc2cccc(CN)c21 ZINC000600724303 520426460 /nfs/dbraw/zinc/42/64/60/520426460.db2.gz SELFJBPYXVEBNL-UHFFFAOYSA-N 0 3 354.410 2.753 20 5 FFBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H]2CCCS(=O)(=O)C2)s1 ZINC000609851534 520456872 /nfs/dbraw/zinc/45/68/72/520456872.db2.gz WVVTVAKVCGSLPY-GFCCVEGCSA-N 0 3 366.464 2.990 20 5 FFBDHN CCOC(=O)c1ccnc(NC[C@@H](C)N2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000609963933 520491323 /nfs/dbraw/zinc/49/13/23/520491323.db2.gz JQVKYJWUSCZYCS-QWHCGFSZSA-N 0 3 350.419 2.841 20 5 FFBDHN Cn1cc([C@H]2CN(Cc3ccc(F)cc3[N+](=O)[O-])CC23CCOCC3)cn1 ZINC000595513504 520521987 /nfs/dbraw/zinc/52/19/87/520521987.db2.gz FUQLUGUUBBNIRK-QGZVFWFLSA-N 0 3 374.416 2.864 20 5 FFBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000598261312 520524827 /nfs/dbraw/zinc/52/48/27/520524827.db2.gz QHPHLDAEHZFHCK-LBPRGKRZSA-N 0 3 355.385 2.652 20 5 FFBDHN C[C@H](CN1CCC(C)CC1)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000598261311 520525801 /nfs/dbraw/zinc/52/58/01/520525801.db2.gz QHPHLDAEHZFHCK-GFCCVEGCSA-N 0 3 355.385 2.652 20 5 FFBDHN COC[C@H](NCc1cc([N+](=O)[O-])ccc1OC(C)C)C1CCOCC1 ZINC000595613655 520594773 /nfs/dbraw/zinc/59/47/73/520594773.db2.gz CYHLWDJVGSMOBN-KRWDZBQOSA-N 0 3 352.431 2.913 20 5 FFBDHN COc1ccc(-c2ccc(CNCC[C@H](O)C(F)F)o2)c([N+](=O)[O-])c1 ZINC000601147545 520659076 /nfs/dbraw/zinc/65/90/76/520659076.db2.gz RCWDJGHXESZTLR-AWEZNQCLSA-N 0 3 356.325 2.969 20 5 FFBDHN COc1ccc(COCCN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000610391526 520663970 /nfs/dbraw/zinc/66/39/70/520663970.db2.gz OZUUDIKUVBKMQG-INIZCTEOSA-N 0 3 372.425 2.701 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCC2)OC[C@@H]1CN(C)C ZINC000598535316 520687386 /nfs/dbraw/zinc/68/73/86/520687386.db2.gz AXHMGWRHIQHTMX-INIZCTEOSA-N 0 3 361.442 2.619 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@]2(C)CCCC[C@@H]2C(=O)OC)c1 ZINC000593019873 520687849 /nfs/dbraw/zinc/68/78/49/520687849.db2.gz RRWIVFLRUNGJQT-RDTXWAMCSA-N 0 3 364.398 2.593 20 5 FFBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCCCN1CCc2ccccc2C1 ZINC000593030214 520695335 /nfs/dbraw/zinc/69/53/35/520695335.db2.gz JEZMBXJIRBEFRZ-UHFFFAOYSA-N 0 3 371.412 2.841 20 5 FFBDHN C[C@H](N[C@H]1CCC[C@H]1Cc1cnn(C)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595768714 520711380 /nfs/dbraw/zinc/71/13/80/520711380.db2.gz GOZVLGWCLQZWLG-BPUTZDHNSA-N 0 3 371.441 2.656 20 5 FFBDHN COc1ccc(C[C@@H]2CCCCN2CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000593085567 520734932 /nfs/dbraw/zinc/73/49/32/520734932.db2.gz ZPEVWOQCZWUDNE-KRWDZBQOSA-N 0 3 371.437 2.862 20 5 FFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000598612510 520742354 /nfs/dbraw/zinc/74/23/54/520742354.db2.gz QABNONDTEPFOBP-DZGCQCFKSA-N 0 3 369.487 2.562 20 5 FFBDHN CCOC(=O)CC1(NCc2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000595873540 520783582 /nfs/dbraw/zinc/78/35/82/520783582.db2.gz CUZBNKAWIZXNHC-UHFFFAOYSA-N 0 3 356.806 2.840 20 5 FFBDHN COc1cc(CN(C)C)ccc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000601620034 520868948 /nfs/dbraw/zinc/86/89/48/520868948.db2.gz FKRFOLJCDDJLSV-UHFFFAOYSA-N 0 3 373.409 2.991 20 5 FFBDHN COc1ccc(CN2CC[C@@H]2CNCc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000598993019 520966722 /nfs/dbraw/zinc/96/67/22/520966722.db2.gz IEWDHOQIIJXIGZ-QGZVFWFLSA-N 0 3 371.437 2.976 20 5 FFBDHN C[C@@H]1[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCS1(=O)=O ZINC000599003514 520974767 /nfs/dbraw/zinc/97/47/67/520974767.db2.gz JJLQEGNGYUKDDO-BXUZGUMPSA-N 0 3 366.464 2.989 20 5 FFBDHN CN(c1ccccc1)c1ccc(CN[C@H]2C[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000599003735 520975089 /nfs/dbraw/zinc/97/50/89/520975089.db2.gz NDMYIGDVMBYLGB-SHTZXODSSA-N 0 3 354.410 2.716 20 5 FFBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NC[C@@H](n2cccn2)C(F)(F)F)n1 ZINC000599055560 521002721 /nfs/dbraw/zinc/00/27/21/521002721.db2.gz HVLPGVYBPRXWGI-JHJVBQTASA-N 0 3 372.351 2.865 20 5 FFBDHN CCN1CCCN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)[C@@H](C)C1 ZINC000596270237 521002993 /nfs/dbraw/zinc/00/29/93/521002993.db2.gz XEXRNDBWEPWCPW-NSHDSACASA-N 0 3 355.822 2.955 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000599089065 521026801 /nfs/dbraw/zinc/02/68/01/521026801.db2.gz WWQQWYJHILNOBC-VQIMIIECSA-N 0 3 370.453 2.850 20 5 FFBDHN COc1cccc(CN(CCn2cc([N+](=O)[O-])ccc2=O)CC(C)C)c1 ZINC000611185027 521028810 /nfs/dbraw/zinc/02/88/10/521028810.db2.gz LFRKQUQMTKXGPE-UHFFFAOYSA-N 0 3 359.426 2.923 20 5 FFBDHN CN(C)Cc1cccc(N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000601930058 521031219 /nfs/dbraw/zinc/03/12/19/521031219.db2.gz DLVAYDDCBFOWPT-GOSISDBHSA-N 0 3 354.410 2.874 20 5 FFBDHN CCc1nn(C)c(N2CCCN(Cc3ccccc3C)CC2)c1[N+](=O)[O-] ZINC000611280747 521077704 /nfs/dbraw/zinc/07/77/04/521077704.db2.gz DZXXOCOPAGUUHN-UHFFFAOYSA-N 0 3 357.458 2.911 20 5 FFBDHN CCN1C[C@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1=O ZINC000593686336 521155678 /nfs/dbraw/zinc/15/56/78/521155678.db2.gz GYKYDJCSSWZFGN-LBPRGKRZSA-N 0 3 360.439 2.676 20 5 FFBDHN Cc1c(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000596630229 521176045 /nfs/dbraw/zinc/17/60/45/521176045.db2.gz HHWMJLNDWBEWPF-MNOVXSKESA-N 0 3 362.304 2.826 20 5 FFBDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593729865 521180451 /nfs/dbraw/zinc/18/04/51/521180451.db2.gz CIYILVAUZATNQO-INIZCTEOSA-N 0 3 351.422 2.903 20 5 FFBDHN COc1cc(N2C[C@@H](SC)[C@H](N3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000614977756 521218720 /nfs/dbraw/zinc/21/87/20/521218720.db2.gz IQMSWEUZMQEYFI-GDBMZVCRSA-N 0 3 355.435 2.759 20 5 FFBDHN CN(CCN1CCCCC1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000593884327 521273233 /nfs/dbraw/zinc/27/32/33/521273233.db2.gz WVYFANCVRIXHJF-UHFFFAOYSA-N 0 3 357.357 2.754 20 5 FFBDHN C[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)N1CCc2ccccc2C1 ZINC000611703513 521288026 /nfs/dbraw/zinc/28/80/26/521288026.db2.gz UAAHNTDKUCNECF-CQSZACIVSA-N 0 3 363.421 2.819 20 5 FFBDHN CC(C)OCCN1CCC(Nc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611704663 521289310 /nfs/dbraw/zinc/28/93/10/521289310.db2.gz ACWIEDJQUPOUBV-UHFFFAOYSA-N 0 3 359.430 2.839 20 5 FFBDHN O=[N+]([O-])c1ccc2ncnc(N3CC[C@@H](OCCN4CCCCC4)C3)c2c1 ZINC000611712254 521293433 /nfs/dbraw/zinc/29/34/33/521293433.db2.gz ZCJVURVCUYEQHV-MRXNPFEDSA-N 0 3 371.441 2.619 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000596891935 521360584 /nfs/dbraw/zinc/36/05/84/521360584.db2.gz YFNDGUTVPUUATG-ZDUSSCGKSA-N 0 3 350.419 2.988 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])CN1C1CC1 ZINC000599659915 521373494 /nfs/dbraw/zinc/37/34/94/521373494.db2.gz LSMQKTVMFWJUDU-UWVGGRQHSA-N 0 3 368.231 2.712 20 5 FFBDHN Cc1ccncc1[C@@H](C)NCCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000611938879 521401180 /nfs/dbraw/zinc/40/11/80/521401180.db2.gz AWIXYCKUPPEZDP-CYBMUJFWSA-N 0 3 356.382 2.947 20 5 FFBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H](CN1CCCCC1)c1ccccc1 ZINC000611938549 521401850 /nfs/dbraw/zinc/40/18/50/521401850.db2.gz NYWNEHWIUYAYRN-LJQANCHMSA-N 0 3 370.453 2.573 20 5 FFBDHN NC(=O)[C@H]1CCC[C@@H](NCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602552023 521408517 /nfs/dbraw/zinc/40/85/17/521408517.db2.gz RLYIHNZSERODOG-JGVFFNPUSA-N 0 3 362.249 2.553 20 5 FFBDHN COC[C@@H](NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccc(C)o1 ZINC000602564694 521414046 /nfs/dbraw/zinc/41/40/46/521414046.db2.gz NTMCOXNATPRGRF-MRXNPFEDSA-N 0 3 360.414 2.837 20 5 FFBDHN CCc1nn(C)c(CC)c1CNC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602582528 521422924 /nfs/dbraw/zinc/42/29/24/521422924.db2.gz QKQRPVUXZCPJBE-UHFFFAOYSA-N 0 3 372.473 2.607 20 5 FFBDHN CN(Cc1cc(Br)c([N+](=O)[O-])s1)[C@H]1CN2CCC1CC2 ZINC000602752921 521515633 /nfs/dbraw/zinc/51/56/33/521515633.db2.gz XESRTVAEEQFRLP-LBPRGKRZSA-N 0 3 360.277 2.945 20 5 FFBDHN CCOC(=O)C1CCC(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000602752777 521516684 /nfs/dbraw/zinc/51/66/84/521516684.db2.gz UOQLSRZOXROSSB-UHFFFAOYSA-N 0 3 364.398 2.578 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](OCCCc2ccccc2)C1 ZINC000602781282 521528907 /nfs/dbraw/zinc/52/89/07/521528907.db2.gz SCMJTTQWZIMUEI-SFHVURJKSA-N 0 3 358.442 2.823 20 5 FFBDHN Cn1cc(CN[C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)c([N+](=O)[O-])n1 ZINC000602825517 521554605 /nfs/dbraw/zinc/55/46/05/521554605.db2.gz CKLYIJJEQZYBAW-LSDHHAIUSA-N 0 3 352.341 2.696 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000602826619 521555046 /nfs/dbraw/zinc/55/50/46/521555046.db2.gz WMMJJXHFZRGGFM-KRWDZBQOSA-N 0 3 364.833 2.745 20 5 FFBDHN COC(=O)COc1ccc(CN2CC[C@@H](c3ccco3)C2)cc1[N+](=O)[O-] ZINC000616136123 521628617 /nfs/dbraw/zinc/62/86/17/521628617.db2.gz XJZBLUFZEHBVHY-CQSZACIVSA-N 0 3 360.366 2.729 20 5 FFBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000619566972 521773274 /nfs/dbraw/zinc/77/32/74/521773274.db2.gz DRCOALBQGRNWFD-MRXNPFEDSA-N 0 3 360.458 2.751 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@H](CO)CC1CCCC1)OCCO2 ZINC000619599327 521790484 /nfs/dbraw/zinc/79/04/84/521790484.db2.gz MBOSYPWPDFAMKC-CQSZACIVSA-N 0 3 350.415 2.644 20 5 FFBDHN C[NH+](C)[C@H](CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000821581363 606644794 /nfs/dbraw/zinc/64/47/94/606644794.db2.gz JJALKPHSAORXTA-MRXNPFEDSA-N 0 3 371.376 2.629 20 5 FFBDHN O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC000826498449 608509682 /nfs/dbraw/zinc/50/96/82/608509682.db2.gz VFFURRCBBWQWFM-SFHVURJKSA-N 0 3 364.409 2.985 20 5 FFBDHN O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000826498449 608509683 /nfs/dbraw/zinc/50/96/83/608509683.db2.gz VFFURRCBBWQWFM-SFHVURJKSA-N 0 3 364.409 2.985 20 5 FFBDHN O=[N+]([O-])c1c[nH]c2ccc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)nc21 ZINC001164724697 720403137 /nfs/dbraw/zinc/40/31/37/720403137.db2.gz KOCZLXGWUSWNIN-JKSUJKDBSA-N 0 3 364.409 2.719 20 5 FFBDHN Cc1nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164896265 721511533 /nfs/dbraw/zinc/51/15/33/721511533.db2.gz AESSGNGEUAHDJU-NVXWUHKLSA-N 0 3 372.400 2.779 20 5 FFBDHN Cc1cc([N+](=O)[O-])cnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164897251 721512013 /nfs/dbraw/zinc/51/20/13/721512013.db2.gz FNQHHVCHYADCEU-AEFFLSMTSA-N 0 3 372.400 2.779 20 5 FFBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CCc2ncc(Br)n2C1 ZINC000898727032 735400969 /nfs/dbraw/zinc/40/09/69/735400969.db2.gz QDBUDAQCHWFZQK-NSHDSACASA-N 0 3 351.204 2.658 20 5 FFBDHN O=[N+]([O-])c1cc(Br)ccc1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000112209252 728543130 /nfs/dbraw/zinc/54/31/30/728543130.db2.gz YCAFIDOFSBCMIU-VXGBXAGGSA-N 0 3 356.220 2.632 20 5 FFBDHN CN1CCN(CCCCNc2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856723306 730350079 /nfs/dbraw/zinc/35/00/79/730350079.db2.gz LNBRVCITCVYAGT-UHFFFAOYSA-N 0 3 371.279 2.797 20 5 FFBDHN C[C@H]1CN(CCCCNC(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@H](C)O1 ZINC000859942403 730469980 /nfs/dbraw/zinc/46/99/80/730469980.db2.gz UCRDVDALUSVBMH-STQMWFEESA-N 0 3 369.849 2.867 20 5 FFBDHN CC(COC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C)[N+](=O)[O-] ZINC000860776705 730546191 /nfs/dbraw/zinc/54/61/91/730546191.db2.gz HGNJZSKLVVEAGU-GXTWGEPZSA-N 0 3 352.387 2.536 20 5 FFBDHN Cc1cc(S(=O)(=O)[N-]C2CCC(C)([NH+](C)C)CC2)c([N+](=O)[O-])s1 ZINC000867742036 731219777 /nfs/dbraw/zinc/21/97/77/731219777.db2.gz XPKKIEKVBLVGME-UHFFFAOYSA-N 0 3 361.489 2.506 20 5 FFBDHN COc1ccc(-c2nc(C)sc2CC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000870376321 731506509 /nfs/dbraw/zinc/50/65/09/731506509.db2.gz GMRYUSMENIDNHR-SNVBAGLBSA-N 0 3 350.396 2.878 20 5 FFBDHN COc1cc(CNCC[C@H](N(C)C)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000922753221 738195706 /nfs/dbraw/zinc/19/57/06/738195706.db2.gz MZDAJLMIGZIPAK-AWEZNQCLSA-N 0 3 365.352 2.584 20 5 FFBDHN CN1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCC1(C)C ZINC000871156045 731601234 /nfs/dbraw/zinc/60/12/34/731601234.db2.gz LWYIMFDGARRQPL-UHFFFAOYSA-N 0 3 357.357 2.753 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H]1CS(=O)(=O)c2ccccc21 ZINC000873130041 731878570 /nfs/dbraw/zinc/87/85/70/731878570.db2.gz YFNRYZGEYZBUAR-AWEZNQCLSA-N 0 3 360.435 2.872 20 5 FFBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000874832567 732105190 /nfs/dbraw/zinc/10/51/90/732105190.db2.gz FXRPAPWJXNNTGN-CHWSQXEVSA-N 0 3 355.341 2.505 20 5 FFBDHN O=[N+]([O-])c1cc(Br)ccc1CN[C@@H]1CCOC12CCOCC2 ZINC000926850433 738661259 /nfs/dbraw/zinc/66/12/59/738661259.db2.gz RCPWTTNQCRSSMM-CQSZACIVSA-N 0 3 371.231 2.785 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H]1CCC2(CCOCC2)O1 ZINC000927022254 738682305 /nfs/dbraw/zinc/68/23/05/738682305.db2.gz YTMKGOPIYMCCHX-UKRRQHHQSA-N 0 3 350.415 2.982 20 5 FFBDHN C[C@@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000894081741 734797966 /nfs/dbraw/zinc/79/79/66/734797966.db2.gz BGTYOZVNGPYKQT-MWLCHTKSSA-N 0 3 366.361 2.526 20 5 FFBDHN C[C@@H]1CCN(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000755022771 736227427 /nfs/dbraw/zinc/22/74/27/736227427.db2.gz YDYGWDMXXXPJDK-SECBINFHSA-N 0 3 374.210 2.568 20 5 FFBDHN CN1CCC[C@H](NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000755031273 736228273 /nfs/dbraw/zinc/22/82/73/736228273.db2.gz UPWKIHZLAMNZBO-JTQLQIEISA-N 0 3 357.208 2.573 20 5 FFBDHN C[C@H](OC(=O)C1CC[C@@H](C(F)(F)F)NC1=O)c1ccccc1[N+](=O)[O-] ZINC000764597023 737033751 /nfs/dbraw/zinc/03/37/51/737033751.db2.gz KWHFVYPOTOZOSQ-PEXQALLHSA-N 0 3 360.288 2.656 20 5 FFBDHN CC1(C)O[C@@H]2C[C@@H](NCc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]2O1 ZINC000922874700 738212973 /nfs/dbraw/zinc/21/29/73/738212973.db2.gz AGYYSSCTYUKWGJ-OJNYZHBWSA-N 0 3 358.341 2.968 20 5 FFBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000923317695 738270440 /nfs/dbraw/zinc/27/04/40/738270440.db2.gz VNISYZNQHNZLTG-DZGCQCFKSA-N 0 3 351.834 2.876 20 5 FFBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[C@@H]1CCCCN1C ZINC000778010109 738342131 /nfs/dbraw/zinc/34/21/31/738342131.db2.gz LAYTYZFVIDKBQJ-ZDUSSCGKSA-N 0 3 373.450 2.537 20 5 FFBDHN Cc1ccc(OS(=O)(=O)c2ccc(CN(C)C)cc2)c([N+](=O)[O-])c1 ZINC000788422623 739243903 /nfs/dbraw/zinc/24/39/03/739243903.db2.gz ZUHSYHNCKMOWQG-UHFFFAOYSA-N 0 3 350.396 2.733 20 5 FFBDHN C[C@](CO)(NC[C@@H]1CCC[C@@H](C(F)(F)F)O1)c1cccc([N+](=O)[O-])c1 ZINC000931469735 739270383 /nfs/dbraw/zinc/27/03/83/739270383.db2.gz FOORVJNYBOMPLR-SOUVJXGZSA-N 0 3 362.348 2.892 20 5 FFBDHN CCN(CC)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000790881068 739508214 /nfs/dbraw/zinc/50/82/14/739508214.db2.gz VDZMTXHKWUBVIF-NSHDSACASA-N 0 3 363.867 2.565 20 5 FFBDHN O=C(CN[C@@H]1CCOC12CCCC2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000934392915 739780454 /nfs/dbraw/zinc/78/04/54/739780454.db2.gz RFRUADQCSGJHOJ-CQSZACIVSA-N 0 3 353.806 2.878 20 5 FFBDHN COCCN1CCCN(c2ccc(C)c(Br)c2[N+](=O)[O-])CC1 ZINC000804353337 740862788 /nfs/dbraw/zinc/86/27/88/740862788.db2.gz ICGGQUIUQUSMAC-UHFFFAOYSA-N 0 3 372.263 2.824 20 5 FFBDHN CC(COC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl)[N+](=O)[O-] ZINC000813103260 741676973 /nfs/dbraw/zinc/67/69/73/741676973.db2.gz ZJUMOPCLEZZEFW-SNVBAGLBSA-N 0 3 356.806 2.824 20 5 FFBDHN CC(COC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000813103897 741677420 /nfs/dbraw/zinc/67/74/20/741677420.db2.gz HVHASMLFIOCZOS-FUDCBSFHSA-N 0 3 356.419 2.763 20 5 FFBDHN CC(COC(=O)C1(c2ccc(Br)cc2)CCOCC1)[N+](=O)[O-] ZINC000813109000 741678060 /nfs/dbraw/zinc/67/80/60/741678060.db2.gz DBWLEFFYUQVDCD-LLVKDONJSA-N 0 3 372.215 2.706 20 5 FFBDHN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813113221 741678411 /nfs/dbraw/zinc/67/84/11/741678411.db2.gz OKPXBFVHEPRTTD-FZMZJTMJSA-N 0 3 356.806 2.693 20 5 FFBDHN COc1ccc(CN[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000824644949 743121506 /nfs/dbraw/zinc/12/15/06/743121506.db2.gz VEKTXCPZZDLVJQ-NWDGAFQWSA-N 0 3 353.419 2.995 20 5 FFBDHN C[C@@]1(NCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000839550078 746853150 /nfs/dbraw/zinc/85/31/50/746853150.db2.gz GVVOKNFWJFUIRE-JKSUJKDBSA-N 0 3 353.806 2.734 20 5 FFBDHN CC(COC(=O)[C@@H](C)CC(=O)c1cccc(Br)c1)[N+](=O)[O-] ZINC000842801969 747692867 /nfs/dbraw/zinc/69/28/67/747692867.db2.gz ODTYBHAICGZBOZ-VHSXEESVSA-N 0 3 358.188 2.866 20 5 FFBDHN O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@H](N2CCOCC2)CC1 ZINC000848929394 749036909 /nfs/dbraw/zinc/03/69/09/749036909.db2.gz DLEDGIZASKHVEG-INIZCTEOSA-N 0 3 353.850 2.935 20 5 FFBDHN O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@@H](N3CCOCC3)CC2)c1 ZINC000848929867 749037750 /nfs/dbraw/zinc/03/77/50/749037750.db2.gz KPZICXJDWCNZAM-OAHLLOKOSA-N 0 3 353.850 2.935 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)c1F ZINC000854427603 750306280 /nfs/dbraw/zinc/30/62/80/750306280.db2.gz ROBHRBXRJVFIBA-VXGBXAGGSA-N 0 3 353.369 2.880 20 5 FFBDHN COc1ccc([C@@H](NC(C)C)C(=O)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000895757675 970920775 /nfs/dbraw/zinc/92/07/75/970920775.db2.gz VPQHUYDGUUDBMF-GOSISDBHSA-N 0 3 357.410 2.959 20 5 FFBDHN C[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cc2cnccc2o1 ZINC001175637685 1013519363 /nfs/dbraw/zinc/51/93/63/1013519363.db2.gz AYWXYNIWEMONJA-TZMCWYRMSA-N 0 3 357.366 2.827 20 5 FFBDHN O=C(NCCN1CCCCC1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000044529499 967419869 /nfs/dbraw/zinc/41/98/69/967419869.db2.gz WQVOZBNVKQYVMY-UHFFFAOYSA-N 0 3 360.458 2.801 20 5 FFBDHN CC[C@@]1(C(=O)OC(C)(C)C)CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC001176676131 1013750460 /nfs/dbraw/zinc/75/04/60/1013750460.db2.gz UPUVUHKAKZKTEN-QGZVFWFLSA-N 0 3 352.435 2.625 20 5 FFBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000874846334 1013916629 /nfs/dbraw/zinc/91/66/29/1013916629.db2.gz IRBPBBSGYZUSKX-MSOLQXFVSA-N 0 3 358.442 2.504 20 5 FFBDHN Cc1cc(N2CCN(c3nccn3C)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000782954394 970058738 /nfs/dbraw/zinc/05/87/38/970058738.db2.gz ZULNZIHGDWTULO-UHFFFAOYSA-N 0 3 352.398 2.512 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCN(CC3CCOCC3)CC2)c(OC(F)F)c1 ZINC000760541705 975465232 /nfs/dbraw/zinc/46/52/32/975465232.db2.gz JBVGFVXEYMMYKK-UHFFFAOYSA-N 0 3 371.384 2.745 20 5 FFBDHN COc1cc(CN[C@H]2COC[C@@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000914435948 987666224 /nfs/dbraw/zinc/66/62/24/987666224.db2.gz MUVDQGRMZICLMJ-OLZOCXBDSA-N 0 3 372.368 2.762 20 5 FFBDHN CCN(CC)CC(=O)N1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000809352936 994493323 /nfs/dbraw/zinc/49/33/23/994493323.db2.gz JVBKSOANBGXEFB-UHFFFAOYSA-N 0 3 370.400 2.523 20 5 FFBDHN CCCC[C@@H](C)N(C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000810125050 994708107 /nfs/dbraw/zinc/70/81/07/994708107.db2.gz MXSXRUNIDAKLAJ-MRXNPFEDSA-N 0 3 362.474 2.754 20 5 FFBDHN Cc1c(C(=O)NCCN2[C@H](C)CCC[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000730786764 997481753 /nfs/dbraw/zinc/48/17/53/997481753.db2.gz RPXFWZCCAYYMKO-VXGBXAGGSA-N 0 3 364.402 2.804 20 5 FFBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCN(c3ccc(C(F)(F)F)cn3)CC2)C1 ZINC001169027827 1000016194 /nfs/dbraw/zinc/01/61/94/1000016194.db2.gz QXSKPKIKCMHBKF-GXTWGEPZSA-N 0 3 358.364 2.668 20 5 FFBDHN NCc1cnnn1-c1ncc(C(F)(F)F)cc1-c1cccc([N+](=O)[O-])c1 ZINC001169311436 1000040074 /nfs/dbraw/zinc/04/00/74/1000040074.db2.gz VUUKBWMHOVOSHD-UHFFFAOYSA-N 0 3 364.287 2.715 20 5 FFBDHN CCOC(=O)c1ccc(N2CCCc3ccc(CN)nc32)c([N+](=O)[O-])c1 ZINC001169590603 1000060292 /nfs/dbraw/zinc/06/02/92/1000060292.db2.gz KTDRUEAEXJGDPK-UHFFFAOYSA-N 0 3 356.382 2.710 20 5 FFBDHN CCOC(=O)c1cccc(CN[C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])n1 ZINC001170305602 1003094544 /nfs/dbraw/zinc/09/45/44/1003094544.db2.gz NRYHOLGYQYWPFG-ZDUSSCGKSA-N 0 3 373.409 2.896 20 5 FFBDHN COC(=O)c1ccnc(CN[C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001170308646 1003119638 /nfs/dbraw/zinc/11/96/38/1003119638.db2.gz NKKFWLGPEWOIOY-LBPRGKRZSA-N 0 3 359.382 2.506 20 5 FFBDHN COC(=O)[C@@H]1CCCN([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])[C@H]1C ZINC001170345205 1003131887 /nfs/dbraw/zinc/13/18/87/1003131887.db2.gz HYRTVJQDWWWGBM-DVOMOZLQSA-N 0 3 350.415 2.808 20 5 FFBDHN COc1ccc(C[C@H](C)N2CCC(C(C)(C)C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC001170345808 1003131959 /nfs/dbraw/zinc/13/19/59/1003131959.db2.gz MBDPTGPUOIDKDD-ZDUSSCGKSA-N 0 3 363.458 2.758 20 5 FFBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@H](Cn2ccnc2)c2ccccc2)c1 ZINC001197265471 1004147705 /nfs/dbraw/zinc/14/77/05/1004147705.db2.gz SJEKDHVXCOSTDL-MOPGFXCFSA-N 0 3 352.394 2.856 20 5 FFBDHN CC1(N2CCC2)CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000882509029 1006418346 /nfs/dbraw/zinc/41/83/46/1006418346.db2.gz YDDMLVYVUSDIDY-UHFFFAOYSA-N 0 3 359.426 2.645 20 5 FFBDHN Cc1cccc(C)c1OC[C@@H](O)CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815565625 1006686404 /nfs/dbraw/zinc/68/64/04/1006686404.db2.gz VIVFPYIFZJFEDW-HOCLYGCPSA-N 0 3 359.426 2.884 20 5 FFBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000855165250 1007149006 /nfs/dbraw/zinc/14/90/06/1007149006.db2.gz SLRGBDJENJIFSB-LLVKDONJSA-N 0 3 357.813 2.919 20 5 FFBDHN COc1cc2c(cc1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1)O[C@@H](C)C2 ZINC000819183422 1008060215 /nfs/dbraw/zinc/06/02/15/1008060215.db2.gz WPIKAUPHZHLRAE-YVEFUNNKSA-N 0 3 358.394 2.750 20 5 FFBDHN C[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CCN1C1CCCC1 ZINC001177708400 1008723193 /nfs/dbraw/zinc/72/31/93/1008723193.db2.gz PAZLSWXBKVZDHT-OAHLLOKOSA-N 0 3 361.442 2.839 20 5 FFBDHN O=C1[C@H](N[C@@H]2CCc3ccccc3OC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000509514131 1009528536 /nfs/dbraw/zinc/52/85/36/1009528536.db2.gz CETRXJABDHUPMA-CRAIPNDOSA-N 0 3 367.405 2.684 20 5 FFBDHN CCN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C1CCN(C)CC1 ZINC000861891311 1009607769 /nfs/dbraw/zinc/60/77/69/1009607769.db2.gz WZVUAKXDDSLQTC-UHFFFAOYSA-N 0 3 357.414 2.541 20 5 FFBDHN C[C@H]1[C@H](N(C)C)CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000646474301 1011969026 /nfs/dbraw/zinc/96/90/26/1011969026.db2.gz YCKIENPYJSZBRC-MAUKXSAKSA-N 0 3 363.461 2.706 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCN3CCCC[C@@H]3C2)c1F ZINC001173189896 1012331574 /nfs/dbraw/zinc/33/15/74/1012331574.db2.gz OIEMHPVDASRDTC-ZIAGYGMSSA-N 0 3 351.422 2.844 20 5 FFBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cn(Cc2ccncc2)cn1 ZINC001173220632 1012351741 /nfs/dbraw/zinc/35/17/41/1012351741.db2.gz DMMYNOPNGVALDT-OAHLLOKOSA-N 0 3 351.410 2.955 20 5 FFBDHN COc1cc(C)nc(O[C@H]2CCN([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001173237131 1012382201 /nfs/dbraw/zinc/38/22/01/1012382201.db2.gz IAZCJIVNXHLWAZ-YOEHRIQHSA-N 0 3 372.425 2.786 20 5 FFBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2cccc(N)c2)CC1 ZINC001173237742 1012386518 /nfs/dbraw/zinc/38/65/18/1012386518.db2.gz LTGILNZIDUHLGS-INIZCTEOSA-N 0 3 354.454 2.926 20 5 FFBDHN CCO[C@@H]1COCC[C@@H]1CC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000870454398 1012389000 /nfs/dbraw/zinc/38/90/00/1012389000.db2.gz KLCINIBURYOPHZ-TVFIUFHYSA-N 0 3 369.389 2.907 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000930861691 1020216250 /nfs/dbraw/zinc/21/62/50/1020216250.db2.gz FWZVRIYCSIDRJM-HNNXBMFYSA-N 0 3 362.430 2.586 20 5 FFBDHN CN(C)CCN(Cc1ccco1)C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000934490977 1021258764 /nfs/dbraw/zinc/25/87/64/1021258764.db2.gz BZBYNJCDAGWOJW-ROUUACIJSA-N 0 3 357.410 2.882 20 5 FFBDHN Cc1cccc(C2=CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1C ZINC000934845916 1021427999 /nfs/dbraw/zinc/42/79/99/1021427999.db2.gz ZQXLTXCXLZVMPM-GOSISDBHSA-N 0 3 356.426 2.558 20 5 FFBDHN CCN1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])cnc3C)cc2)CC1 ZINC000750647002 1022286713 /nfs/dbraw/zinc/28/67/13/1022286713.db2.gz NFMKMXKNQSPFRK-UHFFFAOYSA-N 0 3 369.425 2.692 20 5 FFBDHN CCCN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC001118774448 1022394204 /nfs/dbraw/zinc/39/42/04/1022394204.db2.gz DCVSPSYUSZJBMQ-OAHLLOKOSA-N 0 3 360.458 2.799 20 5 FFBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000755192811 1023576857 /nfs/dbraw/zinc/57/68/57/1023576857.db2.gz PLYFOINKFGGMNP-JRJUITNWSA-N 0 3 373.453 2.711 20 5 FFBDHN CC(COC(=O)c1cccc2c1CCN2C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC001123042805 1023607735 /nfs/dbraw/zinc/60/77/35/1023607735.db2.gz RNZKPUQKIDKXJI-LLVKDONJSA-N 0 3 350.371 2.806 20 5 FFBDHN O=c1ccc2ncc(O[C@H]3CNCCC3(F)F)c3c4ccccc4n1c32 ZINC001218453147 1033163153 /nfs/dbraw/zinc/16/31/53/1033163153.db2.gz SECTWEVMVBBJRT-HNNXBMFYSA-N 0 3 355.344 2.815 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000758333642 1024049491 /nfs/dbraw/zinc/04/94/91/1024049491.db2.gz IBKWGNVHDYLNJH-KBXCAEBGSA-N 0 3 372.469 2.798 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2ncn(CN3CCCC[C@@H]3[C@@H]3CCC[C@@H]3O)n2)c1 ZINC000840114434 1026962268 /nfs/dbraw/zinc/96/22/68/1026962268.db2.gz IDYXXGVHKPOWCI-KSZLIROESA-N 0 3 371.441 2.826 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)[n+]([O-])c(NC[C@@H]2CCCN2Cc2ccccc2)c1 ZINC001161886231 1028350436 /nfs/dbraw/zinc/35/04/36/1028350436.db2.gz ZHPDULQCVZDLAF-AWEZNQCLSA-N 0 3 362.817 2.958 20 5 FFBDHN COC(=O)c1cc([N+](=O)[O-])c(-n2c3ccccc3nc2[C@H](C)N)cc1OC ZINC001162777829 1028653925 /nfs/dbraw/zinc/65/39/25/1028653925.db2.gz VXJSEQOOGSVEMK-JTQLQIEISA-N 0 3 370.365 2.749 20 5 FFBDHN C[C@@H]1CN(CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)[C@H]2CCCC[C@H]12 ZINC000782277750 1029637881 /nfs/dbraw/zinc/63/78/81/1029637881.db2.gz RUVBNDZSKGNWKI-XYPHTWIQSA-N 0 3 372.425 2.831 20 5 FFBDHN CN1CCC(N(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])C2CCCC2)CC1 ZINC001158488385 1029839905 /nfs/dbraw/zinc/83/99/05/1029839905.db2.gz WMNVZSPCAFAHOE-UHFFFAOYSA-N 0 3 354.838 2.725 20 5 FFBDHN COc1cc(Cc2noc([C@H]3CNCc4ccccc43)n2)ccc1[N+](=O)[O-] ZINC000843192706 1031235309 /nfs/dbraw/zinc/23/53/09/1031235309.db2.gz XQDFVXMJDHUXIE-HNNXBMFYSA-N 0 3 366.377 2.812 20 5 FFBDHN CO[C@@H](Cc1ccccc1)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001205115615 1031532533 /nfs/dbraw/zinc/53/25/33/1031532533.db2.gz OKYQUONWOAMJQW-FQEVSTJZSA-N 0 3 355.438 2.975 20 5 FFBDHN O=C(Nc1cccc(CN2CCC(O)CC2)c1)c1cc([N+](=O)[O-])ccc1F ZINC000829710829 1033297123 /nfs/dbraw/zinc/29/71/23/1033297123.db2.gz ITHXTZAEBJQSPL-UHFFFAOYSA-N 0 3 373.384 2.943 20 5 FFBDHN CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)[C@@H](N)CC(F)F ZINC001219005309 1033456197 /nfs/dbraw/zinc/45/61/97/1033456197.db2.gz KDEPSTITJKBNDI-AWEZNQCLSA-N 0 3 374.391 2.878 20 5 FFBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000831563141 1034125129 /nfs/dbraw/zinc/12/51/29/1034125129.db2.gz KTBWLYMTUQILBV-BNOWGMLFSA-N 0 3 371.359 2.998 20 5 FFBDHN O=c1cc(O[C@H]2CC[C@H](N3CCOCC3)CC2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC001227221210 1034973817 /nfs/dbraw/zinc/97/38/17/1034973817.db2.gz PUKWHHIQQMZADX-CTYIDZIISA-N 0 3 373.409 2.871 20 5 FFBDHN CC(COC(=O)Cc1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2)[N+](=O)[O-] ZINC000835457080 1035777578 /nfs/dbraw/zinc/77/75/78/1035777578.db2.gz WROYZYDXFDUZKP-LBPRGKRZSA-N 0 3 364.398 2.735 20 5 FFBDHN CN1CCC(Oc2c(I)cccc2[N+](=O)[O-])CC1 ZINC001229881045 1036957728 /nfs/dbraw/zinc/95/77/28/1036957728.db2.gz XVPGLMKPTNIGGR-UHFFFAOYSA-N 0 3 362.167 2.672 20 5 FFBDHN COc1cc(N2CCC(NCc3cc(F)ccn3)CC2)ccc1[N+](=O)[O-] ZINC001256090825 1038374575 /nfs/dbraw/zinc/37/45/75/1038374575.db2.gz ZYTLPJUDVKEVBU-UHFFFAOYSA-N 0 3 360.389 2.896 20 5 FFBDHN COc1cc(N2CCC(N(C)Cc3cnc(C)nc3)CC2)ccc1[N+](=O)[O-] ZINC001256101168 1038383981 /nfs/dbraw/zinc/38/39/81/1038383981.db2.gz AEYYDTMTTOCTKR-UHFFFAOYSA-N 0 3 371.441 2.803 20 5 FFBDHN COc1cc(N2CCC(N3CCOC[C@@H]3C3CC3)CC2)ccc1[N+](=O)[O-] ZINC001256101493 1038387916 /nfs/dbraw/zinc/38/79/16/1038387916.db2.gz LAEBJOJWGQMDMB-GOSISDBHSA-N 0 3 361.442 2.683 20 5 FFBDHN COC(=O)c1ccc(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC001254470108 1040737537 /nfs/dbraw/zinc/73/75/37/1040737537.db2.gz PJQBGUCVRKDDQS-UHFFFAOYSA-N 0 3 370.409 2.535 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCC(N3CCN(c4ccccn4)CC3)CC2)cc1 ZINC001254475129 1040741844 /nfs/dbraw/zinc/74/18/44/1040741844.db2.gz ASMXEUGSJYTJIJ-UHFFFAOYSA-N 0 3 367.453 2.781 20 5 FFBDHN CCOC(=O)C[C@H](N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccnc1 ZINC001254578082 1040812747 /nfs/dbraw/zinc/81/27/47/1040812747.db2.gz IZJRBBWVNVCZAH-WMZOPIPTSA-N 0 3 355.394 2.741 20 5 FFBDHN COc1cc(O[C@@H]2CCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)ccn1 ZINC001254605392 1040834216 /nfs/dbraw/zinc/83/42/16/1040834216.db2.gz BNQXGHOGWQDNMU-SJLPKXTDSA-N 0 3 355.394 2.619 20 5 FFBDHN O=C1OC2(CCN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)c2cnccc21 ZINC001254606809 1040834746 /nfs/dbraw/zinc/83/47/46/1040834746.db2.gz HIEXKDSLVNUCTM-INIZCTEOSA-N 0 3 365.389 2.619 20 5 FFBDHN COC(=O)[C@H]1CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)Cc2ccccc21 ZINC001254609388 1040836897 /nfs/dbraw/zinc/83/68/97/1040836897.db2.gz VYBSYHDQMRBWLI-MJGOQNOKSA-N 0 3 352.390 2.834 20 5 FFBDHN COc1ccc(O[C@H]2CCN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)nc1 ZINC001254612163 1040841790 /nfs/dbraw/zinc/84/17/90/1040841790.db2.gz VOQVWGVIPOALTC-WMZOPIPTSA-N 0 3 355.394 2.619 20 5 FFBDHN CN(C)[C@@H](CNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC001538902948 1070513242 /nfs/dbraw/zinc/51/32/42/1070513242.db2.gz KHLVJQLZDYCCEL-HNNXBMFYSA-N 0 3 362.817 2.863 20 5 FFBDHN Cc1c(Br)c(N2CCCN3CCC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001323791886 1045727345 /nfs/dbraw/zinc/72/73/45/1045727345.db2.gz DBODYJVYUSNMGH-LLVKDONJSA-N 0 3 355.236 2.735 20 5 FFBDHN COC(=O)[C@@H]1CCC[C@H]1NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC001322682736 1046179747 /nfs/dbraw/zinc/17/97/47/1046179747.db2.gz JXLRIZDDBQVUBE-ZYHUDNBSSA-N 0 3 357.204 2.789 20 5 FFBDHN COc1cccc2cc(CNC[C@H](O)COc3cccc([N+](=O)[O-])c3)oc21 ZINC001325839790 1046657806 /nfs/dbraw/zinc/65/78/06/1046657806.db2.gz GGELWXYFIUAAIW-HNNXBMFYSA-N 0 3 372.377 2.879 20 5 FFBDHN Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC001540337889 1070851611 /nfs/dbraw/zinc/85/16/11/1070851611.db2.gz HJCMUDDWLLTJGO-SFHVURJKSA-N 0 3 354.410 2.744 20 5 FFBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC001540449402 1070891074 /nfs/dbraw/zinc/89/10/74/1070891074.db2.gz MXYXUVRPOCGTFF-INIZCTEOSA-N 0 3 371.437 2.896 20 5 FFBDHN CCN1C[C@H](C)N(c2nnc([C@@H](C)[N+](=O)[O-])n2Cc2ccccc2)C[C@H]1C ZINC001342144905 1050739483 /nfs/dbraw/zinc/73/94/83/1050739483.db2.gz OVQZCUWABBTDJB-OWCLPIDISA-N 0 3 372.473 2.583 20 5 FFBDHN Nc1cc(NC2CC(N3CCC(C(F)(F)F)CC3)C2)ncc1[N+](=O)[O-] ZINC001336622411 1054096529 /nfs/dbraw/zinc/09/65/29/1054096529.db2.gz JQYAJHDDGNNRIX-UHFFFAOYSA-N 0 3 359.352 2.789 20 5 FFBDHN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCC12CCCN(CCC1)C2 ZINC001352464064 1055498976 /nfs/dbraw/zinc/49/89/76/1055498976.db2.gz BOVJZRKBWRPMBQ-UHFFFAOYSA-N 0 3 359.426 2.550 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849483719 1056870044 /nfs/dbraw/zinc/87/00/44/1056870044.db2.gz IVHVJYKGVKESEK-CVEARBPZSA-N 0 3 371.441 2.619 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849597327 1056938323 /nfs/dbraw/zinc/93/83/23/1056938323.db2.gz SFOVPIGLQNCLQH-HOTGVXAUSA-N 0 3 371.441 2.619 20 5 FFBDHN O=C(NC[C@@H]1Cc2ccccc2CN1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001354571189 1059182397 /nfs/dbraw/zinc/18/23/97/1059182397.db2.gz UVBYSZVNDHVDPK-QXAKKESOSA-N 0 3 351.406 2.529 20 5 FFBDHN CCC(C)(C)N1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC000848762132 1060627768 /nfs/dbraw/zinc/62/77/68/1060627768.db2.gz IFFXQWSJFFSDJI-UHFFFAOYSA-N 0 3 360.458 2.798 20 5 FFBDHN O=C(c1ccccc1[N+](=O)[O-])N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001529550420 1062338165 /nfs/dbraw/zinc/33/81/65/1062338165.db2.gz ISVYHONWRMNOTD-APWZRJJASA-N 0 3 351.406 2.941 20 5 FFBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCCCN1CCO ZINC001466686085 1063520412 /nfs/dbraw/zinc/52/04/12/1063520412.db2.gz CUHHAHJEKWZHLV-GFCCVEGCSA-N 0 3 370.837 2.525 20 5 FFBDHN CN(CCCN(C)c1c([N+](=O)[O-])cccc1[N+](=O)[O-])Cc1ccncc1 ZINC001472821531 1065152187 /nfs/dbraw/zinc/15/21/87/1065152187.db2.gz NLIQXTGFCLESDA-UHFFFAOYSA-N 0 3 359.386 2.856 20 5 FFBDHN C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001575969129 1078182823 /nfs/dbraw/zinc/18/28/23/1078182823.db2.gz IZGUHVWIDGVQFT-JHJVBQTASA-N 0 3 359.434 2.553 20 5 FFBDHN C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001575969129 1078182824 /nfs/dbraw/zinc/18/28/24/1078182824.db2.gz IZGUHVWIDGVQFT-JHJVBQTASA-N 0 3 359.434 2.553 20 5 FFBDHN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC1(c2ccccc2)CNC1 ZINC001580542368 1078820265 /nfs/dbraw/zinc/82/02/65/1078820265.db2.gz NZOCJHGRTVXDGF-UHFFFAOYSA-N 0 3 359.813 2.796 20 5 FFBDHN COc1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-])C2 ZINC001560704955 1076293183 /nfs/dbraw/zinc/29/31/83/1076293183.db2.gz ATHDUTLCJDXRCV-OAHLLOKOSA-N 0 3 358.394 2.965 20 5 FFBDHN CCCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC001561507771 1076385940 /nfs/dbraw/zinc/38/59/40/1076385940.db2.gz SBYDEPHWINRPFZ-KRWDZBQOSA-N 0 3 367.471 2.627 20 5 FFBDHN C[C@@]1(c2ccccc2)CC[N@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590153615 1081056010 /nfs/dbraw/zinc/05/60/10/1081056010.db2.gz MNVYZQYJRIYJMW-LJQANCHMSA-N 0 3 364.409 2.939 20 5 FFBDHN C[C@@]1(c2ccccc2)CC[N@@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590153615 1081056015 /nfs/dbraw/zinc/05/60/15/1081056015.db2.gz MNVYZQYJRIYJMW-LJQANCHMSA-N 0 3 364.409 2.939 20 5 FFBDHN C[C@@]1(c2ccccc2)CC[N@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001590153615 1081056020 /nfs/dbraw/zinc/05/60/20/1081056020.db2.gz MNVYZQYJRIYJMW-LJQANCHMSA-N 0 3 364.409 2.939 20 5 FFBDHN C[C@@]1(c2ccccc2)CC[N@@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001590153615 1081056027 /nfs/dbraw/zinc/05/60/27/1081056027.db2.gz MNVYZQYJRIYJMW-LJQANCHMSA-N 0 3 364.409 2.939 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C(=O)NCC2CCN(c3ccncc3)CC2)c1 ZINC000093191549 250020231 /nfs/dbraw/zinc/02/02/31/250020231.db2.gz KKMNXDPVWRKAQU-UHFFFAOYSA-N 0 3 370.409 2.645 20 5 FFBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc(Cl)ccc1Cl ZINC000186753210 251258208 /nfs/dbraw/zinc/25/82/08/251258208.db2.gz ILBXYGXUVMKABB-CABZTGNLSA-N 0 3 359.213 2.810 20 5 FFBDHN O=C(CCN1CCSC2(CCOCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000186813237 251269486 /nfs/dbraw/zinc/26/94/86/251269486.db2.gz DCLIQMZHNMDBQR-UHFFFAOYSA-N 0 3 365.455 2.521 20 5 FFBDHN O=[N+]([O-])c1ccc(Br)cc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000268780657 251381975 /nfs/dbraw/zinc/38/19/75/251381975.db2.gz CFMQNJSXGKYGGF-LBPRGKRZSA-N 0 3 370.247 2.516 20 5 FFBDHN CCN1CCCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000272474660 252047728 /nfs/dbraw/zinc/04/77/28/252047728.db2.gz IUBAUWKRMASZBY-UHFFFAOYSA-N 0 3 354.838 2.528 20 5 FFBDHN CCN1CCCC[C@H]1CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272584335 252073822 /nfs/dbraw/zinc/07/38/22/252073822.db2.gz YRAWSUXZBQFIFI-ZWKOTPCHSA-N 0 3 357.458 2.882 20 5 FFBDHN CN1CC[C@H]2CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000272604396 252079227 /nfs/dbraw/zinc/07/92/27/252079227.db2.gz YYBYDVUWTAOWQY-HZMBPMFUSA-N 0 3 368.231 2.524 20 5 FFBDHN C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000273025624 252195433 /nfs/dbraw/zinc/19/54/33/252195433.db2.gz UJSJKOUAVUMRLI-AWEZNQCLSA-N 0 3 358.442 2.575 20 5 FFBDHN COc1cc(CNC[C@H](O)CCc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000273053966 252202405 /nfs/dbraw/zinc/20/24/05/252202405.db2.gz CWLWVCWNSFODGL-MRXNPFEDSA-N 0 3 360.410 2.695 20 5 FFBDHN COc1ccc(NC(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000273470419 252312214 /nfs/dbraw/zinc/31/22/14/252312214.db2.gz JCFJAJDONHEVGC-LBPRGKRZSA-N 0 3 350.419 2.797 20 5 FFBDHN CN(C)C1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CCC1 ZINC000275687262 256038295 /nfs/dbraw/zinc/03/82/95/256038295.db2.gz AHUSONUKMKDHJI-UHFFFAOYSA-N 0 3 374.210 2.711 20 5 FFBDHN CC(C)NC(=O)c1ccc(N2CCC[C@@H]3CN(C)CC[C@@H]32)c([N+](=O)[O-])c1 ZINC000277087702 256160060 /nfs/dbraw/zinc/16/00/60/256160060.db2.gz VFLMFYXWPBPFIS-CVEARBPZSA-N 0 3 360.458 2.654 20 5 FFBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000286619241 257045875 /nfs/dbraw/zinc/04/58/75/257045875.db2.gz AHNRLQKIWOWTRO-WBVHZDCISA-N 0 3 372.469 2.894 20 5 FFBDHN CN(C(=O)[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])nc1 ZINC000288737662 257222100 /nfs/dbraw/zinc/22/21/00/257222100.db2.gz HCHZJDRACNPWTM-MRXNPFEDSA-N 0 3 354.410 2.865 20 5 FFBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000288494324 257196054 /nfs/dbraw/zinc/19/60/54/257196054.db2.gz RSSMKLISTWWWCR-WFASDCNBSA-N 0 3 353.369 2.772 20 5 FFBDHN O=C(CCN1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000289419096 257280033 /nfs/dbraw/zinc/28/00/33/257280033.db2.gz BSYLRKKCMAFFKJ-WMZOPIPTSA-N 0 3 359.426 2.957 20 5 FFBDHN CN(CCCN1CCN(C)CC1)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000289417101 257280264 /nfs/dbraw/zinc/28/02/64/257280264.db2.gz IQKXKUHZWMVDFO-UHFFFAOYSA-N 0 3 372.469 2.924 20 5 FFBDHN CN(C)[C@@]1(CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCSC1 ZINC000289806892 257300277 /nfs/dbraw/zinc/30/02/77/257300277.db2.gz VJAFUJTWHRZUQH-CQSZACIVSA-N 0 3 358.851 2.807 20 5 FFBDHN Cc1nn(C)c(Nc2ccc(CCN3CCSCC3)cc2)c1[N+](=O)[O-] ZINC000301242926 258036403 /nfs/dbraw/zinc/03/64/03/258036403.db2.gz ABTZEHBGVLMCBA-UHFFFAOYSA-N 0 3 361.471 2.972 20 5 FFBDHN Cc1n[nH]c(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000299528918 258002033 /nfs/dbraw/zinc/00/20/33/258002033.db2.gz KZZVIHDAZNLOMC-INIZCTEOSA-N 0 3 371.441 2.829 20 5 FFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1CN(C)C ZINC000330476739 258164650 /nfs/dbraw/zinc/16/46/50/258164650.db2.gz VIONGYOTUMZPNA-LLVKDONJSA-N 0 3 370.247 2.832 20 5 FFBDHN CCN1C[C@@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000330587742 258166284 /nfs/dbraw/zinc/16/62/84/258166284.db2.gz UATMFTKVUHIFKJ-VXGBXAGGSA-N 0 3 354.838 2.601 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C[C@@H]1N(C)C ZINC000330646135 258167435 /nfs/dbraw/zinc/16/74/35/258167435.db2.gz GTUFZISLINYBRT-UONOGXRCSA-N 0 3 351.472 2.638 20 5 FFBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000332631817 258238414 /nfs/dbraw/zinc/23/84/14/258238414.db2.gz RHBCLUWKTMOLPT-QGZVFWFLSA-N 0 3 362.474 2.899 20 5 FFBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000245708363 510098084 /nfs/dbraw/zinc/09/80/84/510098084.db2.gz YRFMJEAGCWRCAT-QMTHXVAHSA-N 0 3 370.247 2.770 20 5 FFBDHN Cc1noc([C@@H]2CCCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)n1 ZINC000052862434 506268504 /nfs/dbraw/zinc/26/85/04/506268504.db2.gz WOPIYHVSKLMQPU-CQSZACIVSA-N 0 3 373.413 2.803 20 5 FFBDHN CCN1CCC[C@@H]1CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000055416300 506747158 /nfs/dbraw/zinc/74/71/58/506747158.db2.gz PLFSVVVUOKELRB-MRXNPFEDSA-N 0 3 363.461 2.755 20 5 FFBDHN COc1ccc(CC(=O)N(CCN(C)C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000067820432 507018187 /nfs/dbraw/zinc/01/81/87/507018187.db2.gz ZDOMSOGAEIUOSQ-UHFFFAOYSA-N 0 3 363.458 2.869 20 5 FFBDHN C[C@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC[C@@H]1N1CCN(C)CC1 ZINC000367059543 512319306 /nfs/dbraw/zinc/31/93/06/512319306.db2.gz HMNONCYQLPPMAW-KXBFYZLASA-N 0 3 369.469 2.605 20 5 FFBDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000068312771 507183202 /nfs/dbraw/zinc/18/32/02/507183202.db2.gz WMWCVXLHAZDNDI-UHFFFAOYSA-N 0 3 353.325 2.670 20 5 FFBDHN O=C(CCN1CC[C@H](c2nc(C3CC3)no2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000375435102 512325607 /nfs/dbraw/zinc/32/56/07/512325607.db2.gz WXWIWAJAHLQZAE-ZDUSSCGKSA-N 0 3 371.397 2.673 20 5 FFBDHN C[C@@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1C ZINC000069066680 507395562 /nfs/dbraw/zinc/39/55/62/507395562.db2.gz BPVXPQAVXJYHPG-CABCVRRESA-N 0 3 364.446 2.536 20 5 FFBDHN CCCCN1CCCC[C@H]1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000060330694 507524524 /nfs/dbraw/zinc/52/45/24/507524524.db2.gz UVLPOCFGPHJDFM-KRWDZBQOSA-N 0 3 369.487 2.669 20 5 FFBDHN CCOC(=O)C1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000026161611 507562875 /nfs/dbraw/zinc/56/28/75/507562875.db2.gz XMSFDDQKDBTKCB-UHFFFAOYSA-N 0 3 363.414 2.507 20 5 FFBDHN CCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 ZINC000060793437 507578987 /nfs/dbraw/zinc/57/89/87/507578987.db2.gz DCXISKPJECBXCZ-UHFFFAOYSA-N 0 3 360.458 2.799 20 5 FFBDHN CN(C)[C@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000049795029 507640870 /nfs/dbraw/zinc/64/08/70/507640870.db2.gz LALQNFMWGMKXCI-SFHVURJKSA-N 0 3 370.453 2.909 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCCN2CCCC[C@@H]2C)c1C ZINC000071808485 507717950 /nfs/dbraw/zinc/71/79/50/507717950.db2.gz VRXICQHTDYHPEG-AWEZNQCLSA-N 0 3 369.487 2.754 20 5 FFBDHN CCN(CC)CCN(CC(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000071894792 507723977 /nfs/dbraw/zinc/72/39/77/507723977.db2.gz VJBALZKTCYKPEI-UHFFFAOYSA-N 0 3 371.503 2.892 20 5 FFBDHN CC(C)(C)S(=O)(=O)CCN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000089628532 507852314 /nfs/dbraw/zinc/85/23/14/507852314.db2.gz JTIIRJHJVABZTD-HNNXBMFYSA-N 0 3 354.472 2.719 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3CCOC3)CC2)nc1-c1ccccc1 ZINC000090107305 507908995 /nfs/dbraw/zinc/90/89/95/507908995.db2.gz KZVCNPOCUXNKIF-INIZCTEOSA-N 0 3 368.437 2.815 20 5 FFBDHN CCO[C@@H]1C[C@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C12CCCCC2 ZINC000090550704 507926901 /nfs/dbraw/zinc/92/69/01/507926901.db2.gz ZBNMUCQQFWEKKQ-DLBZAZTESA-N 0 3 363.458 2.816 20 5 FFBDHN CC(C)C[C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N(C)C ZINC000074136886 507991586 /nfs/dbraw/zinc/99/15/86/507991586.db2.gz VRNIIGWDZSVWRT-MRXNPFEDSA-N 0 3 362.474 2.901 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CCN1Cc1ccccc1 ZINC000079945114 508017664 /nfs/dbraw/zinc/01/76/64/508017664.db2.gz NHQZZPYMXFUOGZ-ZBFHGGJFSA-N 0 3 368.437 2.960 20 5 FFBDHN CN(c1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000074775071 508054173 /nfs/dbraw/zinc/05/41/73/508054173.db2.gz MMQQMEHXGKMFDR-KRWDZBQOSA-N 0 3 368.437 2.795 20 5 FFBDHN Cc1sc(C(=O)NCC2(N3CCCCC3)CCOCC2)cc1[N+](=O)[O-] ZINC000111101910 508070883 /nfs/dbraw/zinc/07/08/83/508070883.db2.gz SXNDZRHZJRDLSP-UHFFFAOYSA-N 0 3 367.471 2.730 20 5 FFBDHN Cc1ccc(CN(CCN(C)C)C(=O)NCCc2ccccc2[N+](=O)[O-])o1 ZINC000080491648 508078295 /nfs/dbraw/zinc/07/82/95/508078295.db2.gz XUVKRJOPROVYHN-UHFFFAOYSA-N 0 3 374.441 2.812 20 5 FFBDHN Cc1cc(NCc2ccccc2CN2CCC(O)CC2)ncc1[N+](=O)[O-] ZINC000080605946 508088284 /nfs/dbraw/zinc/08/82/84/508088284.db2.gz RVTFCOFXYSABMN-UHFFFAOYSA-N 0 3 356.426 2.867 20 5 FFBDHN COc1ccc(CN2CC[C@@H](CO)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000092764915 508100374 /nfs/dbraw/zinc/10/03/74/508100374.db2.gz HHUYBVRPIQOPNP-QGZVFWFLSA-N 0 3 372.421 2.997 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCSC(C)(C)C1 ZINC000083415231 508245337 /nfs/dbraw/zinc/24/53/37/508245337.db2.gz CTMZIOWRJPSHFI-UHFFFAOYSA-N 0 3 353.444 2.759 20 5 FFBDHN COc1ccc(C(=O)N(CCN(C)C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000084250250 508271423 /nfs/dbraw/zinc/27/14/23/508271423.db2.gz VYQAXQOWJMGZPS-UHFFFAOYSA-N 0 3 363.439 2.869 20 5 FFBDHN COc1ccc(-c2ccc(CNCCc3cnn(C)c3)o2)c([N+](=O)[O-])c1 ZINC000102423714 508274673 /nfs/dbraw/zinc/27/46/73/508274673.db2.gz ZXUAMEWAZBFCIL-UHFFFAOYSA-N 0 3 356.382 2.929 20 5 FFBDHN C[C@@H]1CN(CCCCNC(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000087496381 508354055 /nfs/dbraw/zinc/35/40/55/508354055.db2.gz JBERROLAONFJBL-IYBDPMFKSA-N 0 3 363.458 2.533 20 5 FFBDHN CN(C)CCN(Cc1ccco1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000088229285 508358734 /nfs/dbraw/zinc/35/87/34/508358734.db2.gz XZCFWUILVHZTCC-UHFFFAOYSA-N 0 3 370.409 2.733 20 5 FFBDHN Cc1sc(C(=O)NCc2ccccc2OCCN(C)C)cc1[N+](=O)[O-] ZINC000122717615 508577859 /nfs/dbraw/zinc/57/78/59/508577859.db2.gz HOIOAPNAMZQTMY-UHFFFAOYSA-N 0 3 363.439 2.835 20 5 FFBDHN COc1ccccc1[C@@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000157949342 508637377 /nfs/dbraw/zinc/63/73/77/508637377.db2.gz BTWZYBHJQSBTGR-CQSZACIVSA-N 0 3 355.394 2.692 20 5 FFBDHN C[C@@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@@H](C)C1 ZINC000135996989 508664254 /nfs/dbraw/zinc/66/42/54/508664254.db2.gz WCTKIDTYRPHQQP-CABCVRRESA-N 0 3 371.441 2.631 20 5 FFBDHN CCOc1ccc([C@H](C)NC[C@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000153902267 508673534 /nfs/dbraw/zinc/67/35/34/508673534.db2.gz FLSQBSSYHZZVNM-GJZGRUSLSA-N 0 3 351.447 2.612 20 5 FFBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000154341365 508764255 /nfs/dbraw/zinc/76/42/55/508764255.db2.gz JVBWWCKRJGBNPS-RDJZCZTQSA-N 0 3 367.409 2.551 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000120119485 508932316 /nfs/dbraw/zinc/93/23/16/508932316.db2.gz XAMSTMIWLQBZBL-KXBFYZLASA-N 0 3 353.422 2.774 20 5 FFBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000125307606 508963483 /nfs/dbraw/zinc/96/34/83/508963483.db2.gz VITWQEXIQBCVHF-HUUCEWRRSA-N 0 3 360.458 2.783 20 5 FFBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000132320397 509014777 /nfs/dbraw/zinc/01/47/77/509014777.db2.gz XMZNIQXGMGRPNN-GFCCVEGCSA-N 0 3 367.471 2.546 20 5 FFBDHN C[C@]1(CNc2ncc([N+](=O)[O-])cc2C(N)=O)CCCN1Cc1ccccc1 ZINC000160795033 509034082 /nfs/dbraw/zinc/03/40/82/509034082.db2.gz ITSUQWHOMYRWGE-LJQANCHMSA-N 0 3 369.425 2.555 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc1SC ZINC000120649258 509038260 /nfs/dbraw/zinc/03/82/60/509038260.db2.gz NZLISILUGQDXEJ-YPMHNXCESA-N 0 3 367.471 2.738 20 5 FFBDHN CC1CCN(CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000162104323 509172442 /nfs/dbraw/zinc/17/24/42/509172442.db2.gz DEJLKFISYAIWTQ-UHFFFAOYSA-N 0 3 370.247 2.819 20 5 FFBDHN C[C@@H]1CN(CC2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000263846379 509182859 /nfs/dbraw/zinc/18/28/59/509182859.db2.gz XIIANHNCOMBFEI-GASCZTMLSA-N 0 3 361.442 2.556 20 5 FFBDHN O=C(CCN1CCC(O)(c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000185492421 509203612 /nfs/dbraw/zinc/20/36/12/509203612.db2.gz MRJMZRVSSLSGBJ-UHFFFAOYSA-N 0 3 369.421 2.907 20 5 FFBDHN Cc1nn(CCc2nc(-c3ccc(CN(C)C)cc3)no2)c(C)c1[N+](=O)[O-] ZINC000267018436 509309924 /nfs/dbraw/zinc/30/99/24/509309924.db2.gz BMGWQIZFYVSCBP-UHFFFAOYSA-N 0 3 370.413 2.762 20 5 FFBDHN CN(C)CCOc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000264229202 509397631 /nfs/dbraw/zinc/39/76/31/509397631.db2.gz LYAYVGOVLLKIPT-UHFFFAOYSA-N 0 3 363.439 2.569 20 5 FFBDHN O=C1CCCN1C[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000179557946 509510590 /nfs/dbraw/zinc/51/05/90/509510590.db2.gz IRIZWMSNVHNZEM-RTBURBONSA-N 0 3 369.421 2.582 20 5 FFBDHN O=[N+]([O-])c1cc(CN2CCC(CCCN3CCOCC3)CC2)cs1 ZINC000182979556 509528430 /nfs/dbraw/zinc/52/84/30/509528430.db2.gz PQMJPMJOALFWMH-UHFFFAOYSA-N 0 3 353.488 2.981 20 5 FFBDHN Cc1c(C(=O)N2CC[C@H](N3CCCCC3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000264445394 509532025 /nfs/dbraw/zinc/53/20/25/509532025.db2.gz CFBJTYYZJFQUFM-ZDUSSCGKSA-N 0 3 362.386 2.512 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000248950488 509552741 /nfs/dbraw/zinc/55/27/41/509552741.db2.gz ZTLHAKWTCNYICR-CRAIPNDOSA-N 0 3 368.437 2.643 20 5 FFBDHN O=[N+]([O-])c1cccc([C@@H](NCCCN2CCOCC2)c2ccccc2)c1 ZINC000179964867 509690753 /nfs/dbraw/zinc/69/07/53/509690753.db2.gz HEDCJZZQQHULBY-FQEVSTJZSA-N 0 3 355.438 2.996 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CN1C1CC1 ZINC000268045688 509733676 /nfs/dbraw/zinc/73/36/76/509733676.db2.gz ZKIQKUSCJINTAH-KOLCDFICSA-N 0 3 368.231 2.712 20 5 FFBDHN Cc1cc(S(=O)(=O)NC2CCN(C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000176938010 509776904 /nfs/dbraw/zinc/77/69/04/509776904.db2.gz NDZBWBBBOQHBAZ-UHFFFAOYSA-N 0 3 367.471 2.589 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CN1C1CC1 ZINC000177154076 509905468 /nfs/dbraw/zinc/90/54/68/509905468.db2.gz OPHPKQDLLZYTGE-HOCLYGCPSA-N 0 3 372.469 2.553 20 5 FFBDHN COc1cccc(COC[C@@H](O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180419993 509916994 /nfs/dbraw/zinc/91/69/94/509916994.db2.gz YCCADIWHYKVOKR-KDOFPFPSSA-N 0 3 360.410 2.832 20 5 FFBDHN Cc1nccn1-c1ccc([C@@H](C)NCCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000183685741 509926884 /nfs/dbraw/zinc/92/68/84/509926884.db2.gz SBLCIHAHPIOTJU-CQSZACIVSA-N 0 3 367.409 2.601 20 5 FFBDHN CCN(CC)[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccccc1 ZINC000180620093 510018567 /nfs/dbraw/zinc/01/85/67/510018567.db2.gz GAMDWUGPGQYKIT-QGZVFWFLSA-N 0 3 356.426 2.990 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000193814099 510083983 /nfs/dbraw/zinc/08/39/83/510083983.db2.gz SAVHHTCFTAPTER-MRXNPFEDSA-N 0 3 369.421 2.855 20 5 FFBDHN C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC000187182959 510107773 /nfs/dbraw/zinc/10/77/73/510107773.db2.gz ADTOCUKTFXGDMN-LIRRHRJNSA-N 0 3 357.410 2.781 20 5 FFBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000245731908 510113314 /nfs/dbraw/zinc/11/33/14/510113314.db2.gz YXIPDVNOKWTSOC-GJZGRUSLSA-N 0 3 371.441 2.631 20 5 FFBDHN Cc1nn(C)c(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000187322020 510192583 /nfs/dbraw/zinc/19/25/83/510192583.db2.gz PVTCVMMPFWPCPE-INIZCTEOSA-N 0 3 373.457 2.523 20 5 FFBDHN O=[N+]([O-])c1cc(CN[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)cs1 ZINC000265760791 510215620 /nfs/dbraw/zinc/21/56/20/510215620.db2.gz JUECEDWMOBRPBH-DLBZAZTESA-N 0 3 361.467 2.629 20 5 FFBDHN C[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000184259306 510224569 /nfs/dbraw/zinc/22/45/69/510224569.db2.gz BZPRIWUVWVLTRB-CQSZACIVSA-N 0 3 369.487 2.525 20 5 FFBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000174661869 510236375 /nfs/dbraw/zinc/23/63/75/510236375.db2.gz FBLCOCZNEHSMJW-HZMBPMFUSA-N 0 3 358.320 2.522 20 5 FFBDHN COc1ccc([C@@H]2CCCCCN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000174709239 510263407 /nfs/dbraw/zinc/26/34/07/510263407.db2.gz VNMKFJPFVAOCNP-HKUYNNGSSA-N 0 3 374.441 2.778 20 5 FFBDHN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)CNCC3)cc1OC ZINC000269192144 510282992 /nfs/dbraw/zinc/28/29/92/510282992.db2.gz HRGBGKUHHRBRBJ-UHFFFAOYSA-N 0 3 371.393 2.900 20 5 FFBDHN CCN(CC)[C@H](CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])c1ccco1 ZINC000269330235 510344617 /nfs/dbraw/zinc/34/46/17/510344617.db2.gz FBFJEARDRGIGPX-GFCCVEGCSA-N 0 3 363.418 2.847 20 5 FFBDHN O=C(CN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)NCCc1ccccc1 ZINC000181397742 510391014 /nfs/dbraw/zinc/39/10/14/510391014.db2.gz BCEFOCKWLHQFGS-IBGZPJMESA-N 0 3 367.449 2.864 20 5 FFBDHN CC(C)(C)[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000181631291 510511428 /nfs/dbraw/zinc/51/14/28/510511428.db2.gz RAZQFVTUGNOUMO-BBRMVZONSA-N 0 3 368.384 2.807 20 5 FFBDHN CCN1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181775844 510586162 /nfs/dbraw/zinc/58/61/62/510586162.db2.gz JSCIYEDBWYWFGM-LBPRGKRZSA-N 0 3 357.357 2.800 20 5 FFBDHN O=[N+]([O-])c1cc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c2c(c1)COCO2 ZINC000269994376 510633129 /nfs/dbraw/zinc/63/31/29/510633129.db2.gz PXOKYTYGFFDDKX-KBAYOESNSA-N 0 3 360.410 2.899 20 5 FFBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000188259461 510673790 /nfs/dbraw/zinc/67/37/90/510673790.db2.gz JUUYDQHVZLQSAT-UHFFFAOYSA-N 0 3 369.487 2.708 20 5 FFBDHN CN(Cc1csc([N+](=O)[O-])c1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188322945 510709019 /nfs/dbraw/zinc/70/90/19/510709019.db2.gz DFAKYJLRNJINMY-GOSISDBHSA-N 0 3 361.467 2.725 20 5 FFBDHN C[C@@H](C(=O)N(CCN(C)C)Cc1ccccn1)c1ccc([N+](=O)[O-])cc1F ZINC000185209204 510748308 /nfs/dbraw/zinc/74/83/08/510748308.db2.gz YDNQCDWQIHEOCA-CQSZACIVSA-N 0 3 374.416 2.823 20 5 FFBDHN O=[N+]([O-])c1cccc(OCCN[C@H](CN2CCOCC2)c2ccccc2)c1 ZINC000182135942 510774923 /nfs/dbraw/zinc/77/49/23/510774923.db2.gz KXMIOYFDROTNCT-HXUWFJFHSA-N 0 3 371.437 2.637 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000185422052 510840925 /nfs/dbraw/zinc/84/09/25/510840925.db2.gz ZDBBRSPCMYJARD-DYVFJYSZSA-N 0 3 354.410 2.626 20 5 FFBDHN CCc1ccc([C@@H]2C[C@H](C)CCN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000247531757 510864753 /nfs/dbraw/zinc/86/47/53/510864753.db2.gz OGSLSUSBVGTMMU-UNEWFSDZSA-N 0 3 362.430 2.781 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCCN2CCC(c3nnc4n3CCC4)CC2)cc1 ZINC000360305208 510893809 /nfs/dbraw/zinc/89/38/09/510893809.db2.gz DVMBOMMLDQRZSA-UHFFFAOYSA-N 0 3 371.441 2.781 20 5 FFBDHN CN1CC[C@@]2(CCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)C1 ZINC000293927704 510901661 /nfs/dbraw/zinc/90/16/61/510901661.db2.gz QEAPJKNIYBVZHS-OAHLLOKOSA-N 0 3 357.332 2.781 20 5 FFBDHN COCCN(C)CCCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275733806 510912758 /nfs/dbraw/zinc/91/27/58/510912758.db2.gz WCOXJFKLWMJHKG-UHFFFAOYSA-N 0 3 367.449 2.792 20 5 FFBDHN C[C@H]1C[C@H](N2CCCC2)CN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000285568311 510960455 /nfs/dbraw/zinc/96/04/55/510960455.db2.gz NPORACAFCXIRJX-BBRMVZONSA-N 0 3 357.414 2.703 20 5 FFBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000285568315 510960637 /nfs/dbraw/zinc/96/06/37/510960637.db2.gz NPORACAFCXIRJX-CZUORRHYSA-N 0 3 357.414 2.703 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCCN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000277737116 510970584 /nfs/dbraw/zinc/97/05/84/510970584.db2.gz KLKWETBLMHHZSK-SWLSCSKDSA-N 0 3 362.348 2.999 20 5 FFBDHN COc1cc(C(=O)NCc2ccccc2CN(C)C)c([N+](=O)[O-])cc1F ZINC000294362347 511039296 /nfs/dbraw/zinc/03/92/96/511039296.db2.gz JVEKSWCENUNDNN-UHFFFAOYSA-N 0 3 361.373 2.734 20 5 FFBDHN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@H](N2CCCC2)C1 ZINC000361581067 511069721 /nfs/dbraw/zinc/06/97/21/511069721.db2.gz GRXUSNQNFAUJAI-KRWDZBQOSA-N 0 3 372.469 2.895 20 5 FFBDHN COc1cc(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000294596790 511115195 /nfs/dbraw/zinc/11/51/95/511115195.db2.gz USMIWNPTJFFRPA-NWDGAFQWSA-N 0 3 353.394 2.593 20 5 FFBDHN CC(C)(CCC(=O)N1CCCN(CCCc2ccccc2)CC1)[N+](=O)[O-] ZINC000294633640 511126911 /nfs/dbraw/zinc/12/69/11/511126911.db2.gz SLEJLTOSZGXRRY-UHFFFAOYSA-N 0 3 361.486 2.989 20 5 FFBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H](CO)c1cnn(C)c1 ZINC000271426858 511201175 /nfs/dbraw/zinc/20/11/75/511201175.db2.gz CRBLUPUHXXYTOA-ZIAGYGMSSA-N 0 3 350.444 2.522 20 5 FFBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](CO)c1cnn(C)c1 ZINC000271426852 511201353 /nfs/dbraw/zinc/20/13/53/511201353.db2.gz CRBLUPUHXXYTOA-KGLIPLIRSA-N 0 3 350.444 2.522 20 5 FFBDHN COC(=O)[C@@H]1CCO[C@H]1C1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000298275620 511233467 /nfs/dbraw/zinc/23/34/67/511233467.db2.gz ODHRDIQBSYDCSP-QBIMZIAESA-N 0 3 362.426 2.946 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CN1C1CC1 ZINC000295059351 511267916 /nfs/dbraw/zinc/26/79/16/511267916.db2.gz TZXOELCLXRHCFQ-ZJUUUORDSA-N 0 3 357.332 2.969 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CN1C1CC1 ZINC000295140369 511296449 /nfs/dbraw/zinc/29/64/49/511296449.db2.gz OLZADTSOGNCDQA-GXSJLCMTSA-N 0 3 357.332 2.969 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000295237868 511332512 /nfs/dbraw/zinc/33/25/12/511332512.db2.gz ZXCGTEABBPGYAX-RNCFNFMXSA-N 0 3 357.332 2.826 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)Nc1ccc(CN(C)C)cc1 ZINC000298730066 511390864 /nfs/dbraw/zinc/39/08/64/511390864.db2.gz VGKHCGMAMOJAFH-UHFFFAOYSA-N 0 3 370.409 2.850 20 5 FFBDHN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H](N2CCCC2)C1 ZINC000365378780 511414275 /nfs/dbraw/zinc/41/42/75/511414275.db2.gz SOVBUURBIMMPSI-CQSZACIVSA-N 0 3 367.833 2.714 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)CCN1C ZINC000334042138 511435308 /nfs/dbraw/zinc/43/53/08/511435308.db2.gz GXXHGVMEUPLHPR-UWVGGRQHSA-N 0 3 356.220 2.570 20 5 FFBDHN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCCN(C2CCCC2)CC1 ZINC000363238535 511436452 /nfs/dbraw/zinc/43/64/52/511436452.db2.gz FXQXEGXGDFLBDS-UHFFFAOYSA-N 0 3 357.414 2.562 20 5 FFBDHN COc1cc(CNCC(C)(C)CCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000272238037 511475207 /nfs/dbraw/zinc/47/52/07/511475207.db2.gz AHFUJPAJIVTCCJ-UHFFFAOYSA-N 0 3 362.373 2.746 20 5 FFBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cc2ccccc2c2cccnc12 ZINC000363377101 511512587 /nfs/dbraw/zinc/51/25/87/511512587.db2.gz WRKNZRAVCLNKJA-SJORKVTESA-N 0 3 361.445 2.981 20 5 FFBDHN CN(C(=O)CN[C@@H]1CCN(C)[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000283966066 511558816 /nfs/dbraw/zinc/55/88/16/511558816.db2.gz IFTFVDWIANBLIS-QUCCMNQESA-N 0 3 368.437 2.593 20 5 FFBDHN COc1cc(OC)cc([C@H](O)CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000283995537 511569584 /nfs/dbraw/zinc/56/95/84/511569584.db2.gz HMYTXSWMARFYKA-BBATYDOGSA-N 0 3 361.398 2.578 20 5 FFBDHN CC(C)c1ccc(C(=O)N=c2ccn(C3CCN(C)CC3)[nH]2)cc1[N+](=O)[O-] ZINC000365841285 511680891 /nfs/dbraw/zinc/68/08/91/511680891.db2.gz AKIPZGOPKVNKQX-UHFFFAOYSA-N 0 3 371.441 2.856 20 5 FFBDHN COc1ccc([C@@H](CN(C)C)NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000284331793 511686488 /nfs/dbraw/zinc/68/64/88/511686488.db2.gz MJMMAURJUNBBMD-QGZVFWFLSA-N 0 3 357.410 2.565 20 5 FFBDHN O=C(NC[C@@H]1CCN(C2CC2)C1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000281025127 511693685 /nfs/dbraw/zinc/69/36/85/511693685.db2.gz UOVWYGYWXJTYBO-AWEZNQCLSA-N 0 3 366.421 2.871 20 5 FFBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](N2CCCC2)C1 ZINC000363690110 511705574 /nfs/dbraw/zinc/70/55/74/511705574.db2.gz HQZONJKXAXGAHB-CJNGLKHVSA-N 0 3 357.414 2.876 20 5 FFBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(c2nc[nH]n2)CC1 ZINC000365926013 511731693 /nfs/dbraw/zinc/73/16/93/511731693.db2.gz ZPVRKVVREDJLML-LLVKDONJSA-N 0 3 369.385 2.704 20 5 FFBDHN COc1cc(Cc2noc(C3CCN(C4CC4)CC3)n2)ccc1[N+](=O)[O-] ZINC000350177661 511737127 /nfs/dbraw/zinc/73/71/27/511737127.db2.gz DLFHTPZSAXTGPQ-UHFFFAOYSA-N 0 3 358.398 2.919 20 5 FFBDHN CCN(C)CCNC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000303653305 511746123 /nfs/dbraw/zinc/74/61/23/511746123.db2.gz XLCQQALHLURLON-GJZGRUSLSA-N 0 3 362.474 2.759 20 5 FFBDHN CN(C(=O)[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000281180430 511749321 /nfs/dbraw/zinc/74/93/21/511749321.db2.gz QUBBSDCGTJHGGV-APWZRJJASA-N 0 3 369.421 2.613 20 5 FFBDHN COC(=O)COc1ccc([C@@H](C)NC[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000274417657 511827534 /nfs/dbraw/zinc/82/75/34/511827534.db2.gz DBTVUEQTIUBJBK-FZKQIMNGSA-N 0 3 374.393 2.531 20 5 FFBDHN CN1CCO[C@@H]2CCN(Cc3cc(=O)oc4ccc5ccccc5c34)C[C@H]21 ZINC000284797609 511873596 /nfs/dbraw/zinc/87/35/96/511873596.db2.gz OITJSTREGISUNN-RTBURBONSA-N 0 3 364.445 2.851 20 5 FFBDHN COc1cc(CNCCC(C)(C)O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000274785644 511941138 /nfs/dbraw/zinc/94/11/38/511941138.db2.gz WXKUWFZSYXYEFI-UHFFFAOYSA-N 0 3 366.336 2.795 20 5 FFBDHN COC(=O)C(C)(C)CCN[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000285173064 512025767 /nfs/dbraw/zinc/02/57/67/512025767.db2.gz QVLBGKCRCGIBQA-SNVBAGLBSA-N 0 3 371.821 2.754 20 5 FFBDHN COC(=O)C(C)(C)CCN[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000285173061 512025837 /nfs/dbraw/zinc/02/58/37/512025837.db2.gz QVLBGKCRCGIBQA-JTQLQIEISA-N 0 3 371.821 2.754 20 5 FFBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H]2CCO[C@]3(CCOC3)C2)c1 ZINC000360063009 512070466 /nfs/dbraw/zinc/07/04/66/512070466.db2.gz XNPXYOOHSOKTSH-BLLLJJGKSA-N 0 3 358.341 2.624 20 5 FFBDHN C[C@@H]1CN(C2CCOCC2)CCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000369662404 512541793 /nfs/dbraw/zinc/54/17/93/512541793.db2.gz HMJLMQBJLYXBBZ-MRXNPFEDSA-N 0 3 363.458 2.549 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCS[C@H](C)[C@@H]1C ZINC000411283471 512561749 /nfs/dbraw/zinc/56/17/49/512561749.db2.gz YWDDEOAGNFFLQC-NWDGAFQWSA-N 0 3 353.444 2.758 20 5 FFBDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411548973 512684383 /nfs/dbraw/zinc/68/43/83/512684383.db2.gz GKFSDBJQWLHUEQ-YZGWKJHDSA-N 0 3 367.449 2.987 20 5 FFBDHN COCCOCc1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000368034264 512773580 /nfs/dbraw/zinc/77/35/80/512773580.db2.gz AQWQCGMQNPLPDB-UHFFFAOYSA-N 0 3 374.441 2.791 20 5 FFBDHN COc1cccc([C@@H]2C[C@@H](C)CN2CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000378639137 512860835 /nfs/dbraw/zinc/86/08/35/512860835.db2.gz DPBGPSSFWATKAO-KDOFPFPSSA-N 0 3 357.410 2.848 20 5 FFBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@@](CO)(c3ccccc3)C2)c1 ZINC000374531875 512876669 /nfs/dbraw/zinc/87/66/69/512876669.db2.gz SXXDQKHSZOELGS-VQTJNVASSA-N 0 3 356.422 2.654 20 5 FFBDHN O=C(CCN1C[C@@H](O)C[C@H]1c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411932529 512878613 /nfs/dbraw/zinc/87/86/13/512878613.db2.gz GAEJBUROQPVAKG-ROUUACIJSA-N 0 3 355.394 2.731 20 5 FFBDHN O=C(CCN1C[C@H](O)C[C@@H]1c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411932528 512878787 /nfs/dbraw/zinc/87/87/87/512878787.db2.gz GAEJBUROQPVAKG-QZTJIDSGSA-N 0 3 355.394 2.731 20 5 FFBDHN C[C@@H]1[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCN1Cc1ccccc1 ZINC000383835700 512881930 /nfs/dbraw/zinc/88/19/30/512881930.db2.gz SXBJJCHULPGTKW-MLGOLLRUSA-N 0 3 372.400 2.709 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](CCC[NH3+])c1ccccc1 ZINC000392979444 512930588 /nfs/dbraw/zinc/93/05/88/512930588.db2.gz OQRZGAODWZOFKE-OAHLLOKOSA-N 0 3 363.439 2.662 20 5 FFBDHN Cc1cc(C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)ccc1[N+](=O)[O-] ZINC000370502615 512967242 /nfs/dbraw/zinc/96/72/42/512967242.db2.gz HMZNENUOFFFUME-OAHLLOKOSA-N 0 3 355.394 2.873 20 5 FFBDHN Cc1c(NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000370603889 513013247 /nfs/dbraw/zinc/01/32/47/513013247.db2.gz WSIKDRWYLGUEIK-CYBMUJFWSA-N 0 3 362.430 2.620 20 5 FFBDHN CS[C@H]1CN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000446223668 513212311 /nfs/dbraw/zinc/21/23/11/513212311.db2.gz AFYWAMWAUSNYDS-STQMWFEESA-N 0 3 357.863 2.674 20 5 FFBDHN Cc1cccc(CN2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)n1 ZINC000450734905 513319703 /nfs/dbraw/zinc/31/97/03/513319703.db2.gz DQVNVDCDEJJMKN-UHFFFAOYSA-N 0 3 366.425 2.887 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000450807620 513351952 /nfs/dbraw/zinc/35/19/52/513351952.db2.gz GWTDJWWHHQHALL-OAHLLOKOSA-N 0 3 368.437 2.652 20 5 FFBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425002593 513362591 /nfs/dbraw/zinc/36/25/91/513362591.db2.gz LGVUDOFITWQTSY-AZUAARDMSA-N 0 3 365.433 2.870 20 5 FFBDHN CN1CCN(CCNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1(C)C ZINC000440646492 513369769 /nfs/dbraw/zinc/36/97/69/513369769.db2.gz GGNWXVGZZQGNMM-UHFFFAOYSA-N 0 3 369.469 2.517 20 5 FFBDHN C[C@@H]1[C@H](C)NCCN1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418098478 513371191 /nfs/dbraw/zinc/37/11/91/513371191.db2.gz ZZGXHDCVNPQOLB-VHSXEESVSA-N 0 3 360.336 2.505 20 5 FFBDHN COC(=O)C1CCN(CCCNc2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413054178 513410119 /nfs/dbraw/zinc/41/01/19/513410119.db2.gz MOVIFXSWUVANEO-UHFFFAOYSA-N 0 3 372.425 2.830 20 5 FFBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415965573 513503830 /nfs/dbraw/zinc/50/38/30/513503830.db2.gz AKKYVZHJCYRVTH-UHFFFAOYSA-N 0 3 370.409 2.783 20 5 FFBDHN CCOC(=O)CC1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000441182043 513506766 /nfs/dbraw/zinc/50/67/66/513506766.db2.gz PCOZZTFQQOOBML-UHFFFAOYSA-N 0 3 366.414 2.647 20 5 FFBDHN O=C(CCN1CCc2ccccc2C1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000416129374 513585680 /nfs/dbraw/zinc/58/56/80/513585680.db2.gz VYKAKSWVUIWLSA-UHFFFAOYSA-N 0 3 368.437 2.571 20 5 FFBDHN CN(C)C1(CNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000416295015 513694501 /nfs/dbraw/zinc/69/45/01/513694501.db2.gz ZLTKIANDBZAIMT-UHFFFAOYSA-N 0 3 374.363 2.626 20 5 FFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000416462476 513783846 /nfs/dbraw/zinc/78/38/46/513783846.db2.gz QPQAACDWGBRDMG-GJZGRUSLSA-N 0 3 369.487 2.705 20 5 FFBDHN CO[C@@H]1[C@H](C)[C@H](NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000451499103 513790533 /nfs/dbraw/zinc/79/05/33/513790533.db2.gz LMZCWCFTWHJHDR-TURNYIBQSA-N 0 3 355.822 2.836 20 5 FFBDHN CN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H](CO)c1ccccc1 ZINC000436250123 513806212 /nfs/dbraw/zinc/80/62/12/513806212.db2.gz BNQAXNKPEBSULP-KRWDZBQOSA-N 0 3 371.393 2.558 20 5 FFBDHN CCOC(=O)[C@@H]1CCCC[C@@H]1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451592820 513855111 /nfs/dbraw/zinc/85/51/11/513855111.db2.gz RMEQRYJSVKAAOG-WQVCFCJDSA-N 0 3 363.414 2.633 20 5 FFBDHN C[C@@H]1CN(CCCNc2ncc(Br)cc2[N+](=O)[O-])CCCO1 ZINC000431420226 513895166 /nfs/dbraw/zinc/89/51/66/513895166.db2.gz HBVWELSHPDSNHF-LLVKDONJSA-N 0 3 373.251 2.665 20 5 FFBDHN O=C(CNc1ccc(Cl)cc1[N+](=O)[O-])NCCN1CCCCCC1 ZINC000431490635 513910051 /nfs/dbraw/zinc/91/00/51/513910051.db2.gz MEUJHMDFTZFHIL-UHFFFAOYSA-N 0 3 354.838 2.652 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCCNCc1cccnc1 ZINC000422734514 513917574 /nfs/dbraw/zinc/91/75/74/513917574.db2.gz TYGZVLSSKZZNNZ-UHFFFAOYSA-N 0 3 356.426 2.825 20 5 FFBDHN CC(C)N(C)CCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444021127 514101893 /nfs/dbraw/zinc/10/18/93/514101893.db2.gz MTGUDNSNCFWJSH-UHFFFAOYSA-N 0 3 355.413 2.890 20 5 FFBDHN O=C(CN1CCNC[C@H]1c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420408152 514136931 /nfs/dbraw/zinc/13/69/31/514136931.db2.gz PAQOKRQKGGQOPM-KRWDZBQOSA-N 0 3 374.828 2.833 20 5 FFBDHN CCc1[n-]nc(-c2nc(-c3cccc(OCC[NH+](C)C)c3)no2)c1[N+](=O)[O-] ZINC000420497992 514173412 /nfs/dbraw/zinc/17/34/12/514173412.db2.gz BKGANLFKSAZDBO-UHFFFAOYSA-N 0 3 372.385 2.538 20 5 FFBDHN COC(=O)[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2C)C[C@H]1c1ccc(O)cc1 ZINC000449348291 514177409 /nfs/dbraw/zinc/17/74/09/514177409.db2.gz LPBZIDFMPFKLPL-RBUKOAKNSA-N 0 3 370.405 2.997 20 5 FFBDHN C[C@@H](NC(=O)NCCCNCc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000417125232 514180425 /nfs/dbraw/zinc/18/04/25/514180425.db2.gz BDHBBXOBKRJKMA-CQSZACIVSA-N 0 3 357.414 2.530 20 5 FFBDHN COC[C@](C)(O)CCNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000449385210 514189645 /nfs/dbraw/zinc/18/96/45/514189645.db2.gz PNPZATSJHCNGOC-GOSISDBHSA-N 0 3 364.398 2.741 20 5 FFBDHN NC(=O)c1cccc([N+](=O)[O-])c1NC1CCN(CCc2ccccc2)CC1 ZINC000420582479 514192094 /nfs/dbraw/zinc/19/20/94/514192094.db2.gz HGKDFIBRNSVRMH-UHFFFAOYSA-N 0 3 368.437 2.813 20 5 FFBDHN C[C@H]1C[C@@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000420602223 514197110 /nfs/dbraw/zinc/19/71/10/514197110.db2.gz OLQWAHCQYMZJKM-DZGCQCFKSA-N 0 3 354.410 2.769 20 5 FFBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1NCCc2ccccc21 ZINC000423672528 514198086 /nfs/dbraw/zinc/19/80/86/514198086.db2.gz OCCLCKNHIBJRRB-OAHLLOKOSA-N 0 3 355.394 2.610 20 5 FFBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000452120845 514205236 /nfs/dbraw/zinc/20/52/36/514205236.db2.gz JNTUOKHUXPMVJV-MPGHIAIKSA-N 0 3 373.453 2.746 20 5 FFBDHN COC(=O)c1cc(NCCCN2CCCO[C@H](C)C2)cc(C)c1[N+](=O)[O-] ZINC000432850911 514300819 /nfs/dbraw/zinc/30/08/19/514300819.db2.gz IGZATRAPCFSQNO-CQSZACIVSA-N 0 3 365.430 2.603 20 5 FFBDHN O=C(N[C@@H]1CCCN(CCCO)C1)c1cc2ccccc2c2cccnc12 ZINC000452378665 514320870 /nfs/dbraw/zinc/32/08/70/514320870.db2.gz XBQPUTYVTPBZKI-QGZVFWFLSA-N 0 3 363.461 2.965 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)c1 ZINC000424014904 514341543 /nfs/dbraw/zinc/34/15/43/514341543.db2.gz WPSGOZWGOLWFRM-DLBZAZTESA-N 0 3 373.384 2.700 20 5 FFBDHN Cn1ccnc1[C@@H](NCCN1CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000449783457 514352287 /nfs/dbraw/zinc/35/22/87/514352287.db2.gz PFRHCXROBSNEFI-KRWDZBQOSA-N 0 3 357.458 2.882 20 5 FFBDHN CC(C)[C@H](C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)N1CCCCC1 ZINC000427964561 514359123 /nfs/dbraw/zinc/35/91/23/514359123.db2.gz NIFNXEZOGCOFST-GOSISDBHSA-N 0 3 361.442 2.826 20 5 FFBDHN N[C@H]1Cc2ccccc2N(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000424074992 514370299 /nfs/dbraw/zinc/37/02/99/514370299.db2.gz LFEOEDJWHUKQBO-HNNXBMFYSA-N 0 3 354.410 2.704 20 5 FFBDHN C[N@H+](CCc1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1)C1CC1 ZINC000445131415 514423618 /nfs/dbraw/zinc/42/36/18/514423618.db2.gz DIMCQYBWWGPODH-UHFFFAOYSA-N 0 3 356.382 2.584 20 5 FFBDHN C[N@@H+](CCc1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1)C1CC1 ZINC000445131415 514423626 /nfs/dbraw/zinc/42/36/26/514423626.db2.gz DIMCQYBWWGPODH-UHFFFAOYSA-N 0 3 356.382 2.584 20 5 FFBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)C[C@@H]1CCCN1C ZINC000420994428 514429682 /nfs/dbraw/zinc/42/96/82/514429682.db2.gz CDQFXFDDXJBCGC-AAEUAGOBSA-N 0 3 354.838 2.601 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](c2ccc(C)cc2)N(C)C)n1 ZINC000439159501 514502446 /nfs/dbraw/zinc/50/24/46/514502446.db2.gz JIGIIJYYNYUWQH-MRXNPFEDSA-N 0 3 358.398 2.800 20 5 FFBDHN Cc1cc(NC[C@]2(N(C)C)CCSC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000479459331 514592015 /nfs/dbraw/zinc/59/20/15/514592015.db2.gz XOYPHIACAXOCOD-GOSISDBHSA-N 0 3 373.482 2.631 20 5 FFBDHN O=[N+]([O-])c1ccccc1C[C@H](NCc1nc(-c2ccccn2)n[nH]1)C1CC1 ZINC000453375273 514614819 /nfs/dbraw/zinc/61/48/19/514614819.db2.gz WGJWJSZBKXXEIS-INIZCTEOSA-N 0 3 364.409 2.886 20 5 FFBDHN O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1nnc(-c2ccccn2)[n-]1)C1CC1 ZINC000453375273 514614828 /nfs/dbraw/zinc/61/48/28/514614828.db2.gz WGJWJSZBKXXEIS-INIZCTEOSA-N 0 3 364.409 2.886 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC2(N(C)C)CCCCC2)cc1C ZINC000497753973 514624228 /nfs/dbraw/zinc/62/42/28/514624228.db2.gz WRCVEPRMOXYXFW-UHFFFAOYSA-N 0 3 369.487 2.754 20 5 FFBDHN Cc1cc(CN(C)C)cc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1 ZINC000489095969 514707385 /nfs/dbraw/zinc/70/73/85/514707385.db2.gz KWUNOLDICXLAIL-UHFFFAOYSA-N 0 3 357.366 2.946 20 5 FFBDHN O=C1c2ccccc2CCN1CCNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000466904700 514820304 /nfs/dbraw/zinc/82/03/04/514820304.db2.gz NLAGIFSONFVVQD-YVMONPNESA-N 0 3 351.406 2.896 20 5 FFBDHN CC(C)N1CCCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000498493454 514929074 /nfs/dbraw/zinc/92/90/74/514929074.db2.gz JNDQBNUMWXKHFE-UHFFFAOYSA-N 0 3 368.865 2.916 20 5 FFBDHN CCCN1CC[C@@H](CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000480419969 514950877 /nfs/dbraw/zinc/95/08/77/514950877.db2.gz NEOGYFYPIYRDDW-AWEZNQCLSA-N 0 3 371.441 2.703 20 5 FFBDHN COc1c(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000476310137 514994470 /nfs/dbraw/zinc/99/44/70/514994470.db2.gz UKMBMLZRWHSLAG-GOEBONIOSA-N 0 3 369.421 2.996 20 5 FFBDHN CN(C)[C@H](CNc1ncnc2cccc([N+](=O)[O-])c21)c1cccc(F)c1 ZINC000509068508 515009026 /nfs/dbraw/zinc/00/90/26/515009026.db2.gz NRHZSTSFTROYDW-MRXNPFEDSA-N 0 3 355.373 2.814 20 5 FFBDHN CCOC(=O)[C@@]1(COC)CCCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000467550646 515045227 /nfs/dbraw/zinc/04/52/27/515045227.db2.gz MCTQQWJCVGCQES-SFHVURJKSA-N 0 3 350.415 2.695 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)CCN(C(C)C)C(C)C)c1C ZINC000503982273 515189875 /nfs/dbraw/zinc/18/98/75/515189875.db2.gz LRUWZWATILCBKF-UHFFFAOYSA-N 0 3 371.503 2.951 20 5 FFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000481057239 515190333 /nfs/dbraw/zinc/19/03/33/515190333.db2.gz KGXDYLUPCCJQCX-HUUCEWRRSA-N 0 3 369.487 2.705 20 5 FFBDHN C[C@@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@H](C)C1 ZINC000485824627 515204961 /nfs/dbraw/zinc/20/49/61/515204961.db2.gz ZWSLRBVJPVKRQN-RYUDHWBXSA-N 0 3 355.385 2.652 20 5 FFBDHN C[C@@H](N[C@@H]1CCN(C(=O)COc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000509531887 515221606 /nfs/dbraw/zinc/22/16/06/515221606.db2.gz GTOXLHXDKUGNIN-NVXWUHKLSA-N 0 3 369.421 2.925 20 5 FFBDHN CC(C)O[C@H]1C[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000462848962 515268335 /nfs/dbraw/zinc/26/83/35/515268335.db2.gz ZMIJIRSSKRPLCH-CVEARBPZSA-N 0 3 370.471 2.550 20 5 FFBDHN Cc1ccc(CN[C@@H]2CCN(C(=O)COc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000509988875 515393148 /nfs/dbraw/zinc/39/31/48/515393148.db2.gz JBIQOWUOIBJSKR-QGZVFWFLSA-N 0 3 369.421 2.673 20 5 FFBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C)CCS(C)(=O)=O ZINC000504900184 515405422 /nfs/dbraw/zinc/40/54/22/515405422.db2.gz STRFHICRCOSIQX-CHWSQXEVSA-N 0 3 360.501 2.878 20 5 FFBDHN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000481793547 515469942 /nfs/dbraw/zinc/46/99/42/515469942.db2.gz KKWMTEZKDDGUMM-PKOBYXMFSA-N 0 3 364.405 2.904 20 5 FFBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H](c1ccccc1)C1(CO)CCCC1 ZINC000459542067 515633513 /nfs/dbraw/zinc/63/35/13/515633513.db2.gz LDGLOCRVDXBXJZ-LJQANCHMSA-N 0 3 371.437 2.640 20 5 FFBDHN COc1cc(CN[C@H]2CCO[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493763612 515662175 /nfs/dbraw/zinc/66/21/75/515662175.db2.gz IJUXXWBMPHHFRF-PWSUYJOCSA-N 0 3 360.357 2.904 20 5 FFBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000457120093 515665608 /nfs/dbraw/zinc/66/56/08/515665608.db2.gz NQBRWMPCTLDPCB-MRXNPFEDSA-N 0 3 371.441 2.550 20 5 FFBDHN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3C[C@H](C)NC[C@H]3C)cc2[N+](=O)[O-])C1 ZINC000505850290 515697129 /nfs/dbraw/zinc/69/71/29/515697129.db2.gz FZAAXMNOHJIVNL-XUWVNRHRSA-N 0 3 374.485 2.900 20 5 FFBDHN Cc1ccc(C)c(S(=O)(=O)NCCN(C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000478170836 515725877 /nfs/dbraw/zinc/72/58/77/515725877.db2.gz HJZGIGWMHWTKTR-UHFFFAOYSA-N 0 3 357.476 2.609 20 5 FFBDHN O=C(CC(F)(F)F)NC[C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000511062990 515763451 /nfs/dbraw/zinc/76/34/51/515763451.db2.gz GDCILBYSYXRAOL-AWEZNQCLSA-N 0 3 373.375 2.918 20 5 FFBDHN CCOC[C@H]1CCCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000459721953 515770340 /nfs/dbraw/zinc/77/03/40/515770340.db2.gz UJMMQAKRNKKMQM-OAHLLOKOSA-N 0 3 365.430 2.823 20 5 FFBDHN COC(=O)COc1ccc(CNC/C=C/c2ccccc2)cc1[N+](=O)[O-] ZINC000473991259 515834335 /nfs/dbraw/zinc/83/43/35/515834335.db2.gz YKYOVIHTMYBUEG-VMPITWQZSA-N 0 3 356.378 2.950 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000494679474 515920361 /nfs/dbraw/zinc/92/03/61/515920361.db2.gz FJLGEAISPKKKCE-QGZVFWFLSA-N 0 3 369.421 2.998 20 5 FFBDHN COC(=O)[C@H]1CCCC[C@]1(C)NCc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000464688814 515924933 /nfs/dbraw/zinc/92/49/33/515924933.db2.gz IRAHDGUHJDPECQ-PXAZEXFGSA-N 0 3 354.378 2.954 20 5 FFBDHN CCN1CCCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000501079596 515969987 /nfs/dbraw/zinc/96/99/87/515969987.db2.gz ARICHTJMVASBQA-UHFFFAOYSA-N 0 3 371.235 2.917 20 5 FFBDHN COc1cc(C(=O)N(CCN(C)C)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000460060464 516002432 /nfs/dbraw/zinc/00/24/32/516002432.db2.gz KKZCLPNIMDHMJF-UHFFFAOYSA-N 0 3 361.373 2.951 20 5 FFBDHN Cc1c(CNC(=O)NCc2cccc(CN(C)C)c2)cccc1[N+](=O)[O-] ZINC000478923736 516010775 /nfs/dbraw/zinc/01/07/75/516010775.db2.gz ILBVPEKZESUHJV-UHFFFAOYSA-N 0 3 356.426 2.964 20 5 FFBDHN COc1c(C(=O)NCCCN(C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000474390593 516026158 /nfs/dbraw/zinc/02/61/58/516026158.db2.gz LHEJOOVCBYUNTD-UHFFFAOYSA-N 0 3 357.410 2.855 20 5 FFBDHN CC(C)[C@H]1CN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN1C ZINC000488083088 516109998 /nfs/dbraw/zinc/10/99/98/516109998.db2.gz YVZUBHVWHNWPAX-BLLLJJGKSA-N 0 3 368.865 2.847 20 5 FFBDHN C[C@H](CO)N1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000470135465 516136105 /nfs/dbraw/zinc/13/61/05/516136105.db2.gz UILLMSXRXZVFSG-OAHLLOKOSA-N 0 3 359.426 2.743 20 5 FFBDHN CN(C)CCN(Cc1ccccn1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470140856 516139970 /nfs/dbraw/zinc/13/99/70/516139970.db2.gz MGISKRJDCBSYMV-UHFFFAOYSA-N 0 3 361.377 2.725 20 5 FFBDHN CC1=CCC[C@@H](C)[C@@H]1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000479435582 516191921 /nfs/dbraw/zinc/19/19/21/516191921.db2.gz GKLKQSRSABZSGJ-RHSMWYFYSA-N 0 3 352.456 2.951 20 5 FFBDHN CCC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC)CCN1CCOC ZINC000501771408 516219781 /nfs/dbraw/zinc/21/97/81/516219781.db2.gz FVJKDZPDPOXZFV-KRWDZBQOSA-N 0 3 351.447 2.536 20 5 FFBDHN CCC[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CCN1CCOC ZINC000557609306 516333942 /nfs/dbraw/zinc/33/39/42/516333942.db2.gz DKYDPYPPCBYOIX-GFCCVEGCSA-N 0 3 365.459 2.537 20 5 FFBDHN CN(CCC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccncc1 ZINC000543712919 516383558 /nfs/dbraw/zinc/38/35/58/516383558.db2.gz VGZRZNPRBNGOBE-UHFFFAOYSA-N 0 3 362.817 2.828 20 5 FFBDHN COC(=O)c1cc(C)nc(N[C@H](C)CN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000561157827 516415701 /nfs/dbraw/zinc/41/57/01/516415701.db2.gz XGLZCCUOJWLWBM-DGCLKSJQSA-N 0 3 350.419 2.617 20 5 FFBDHN Cc1cc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1-c1ccccc1 ZINC000517733992 516431234 /nfs/dbraw/zinc/43/12/34/516431234.db2.gz NZVKHDAZAZPQLB-LJQANCHMSA-N 0 3 366.421 2.917 20 5 FFBDHN CCc1ccc([C@@H](CNC(=O)c2nn(C)cc2[N+](=O)[O-])N(CC)CC)cc1 ZINC000554453030 516443495 /nfs/dbraw/zinc/44/34/95/516443495.db2.gz QQAVWESEUFHHPW-MRXNPFEDSA-N 0 3 373.457 2.704 20 5 FFBDHN CC(C)N1CCC(N(C)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000557877429 516484187 /nfs/dbraw/zinc/48/41/87/516484187.db2.gz PRSXJFSKKKPOKL-UHFFFAOYSA-N 0 3 371.441 2.725 20 5 FFBDHN CN(C)C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000557955950 516522093 /nfs/dbraw/zinc/52/20/93/516522093.db2.gz SSNRAMIKXSZULP-QGZVFWFLSA-N 0 3 361.373 2.532 20 5 FFBDHN Cn1cnc2cc(CN3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)ccc21 ZINC000540481848 516574435 /nfs/dbraw/zinc/57/44/35/516574435.db2.gz NYJVTFHKTGSXOB-AWEZNQCLSA-N 0 3 352.398 2.563 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC[C@H](C)N2CCCCC2)c1C ZINC000544187977 516633463 /nfs/dbraw/zinc/63/34/63/516633463.db2.gz LKDHUEREKMRMGR-AWEZNQCLSA-N 0 3 369.487 2.754 20 5 FFBDHN C[C@@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCN(C2CCC2)C1 ZINC000561536043 516637389 /nfs/dbraw/zinc/63/73/89/516637389.db2.gz ROESXQGJHISUEN-HNNXBMFYSA-N 0 3 370.453 2.882 20 5 FFBDHN O=C(NCc1ccc(OCCN2CCCC2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000518435417 516657619 /nfs/dbraw/zinc/65/76/19/516657619.db2.gz BWERGMJQFYXGFA-UHFFFAOYSA-N 0 3 359.382 2.592 20 5 FFBDHN CN(C)CCN(Cc1ccccc1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000536230595 516688981 /nfs/dbraw/zinc/68/89/81/516688981.db2.gz DAKIFJNJNZZNLR-UHFFFAOYSA-N 0 3 370.453 2.911 20 5 FFBDHN COc1ccc([C@@H](CN(C)C)NC(=O)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000551536893 516749380 /nfs/dbraw/zinc/74/93/80/516749380.db2.gz JXXSZCBSPZDNMY-LJQANCHMSA-N 0 3 371.437 2.955 20 5 FFBDHN C[C@@H](CCC(F)(F)F)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544573881 516818846 /nfs/dbraw/zinc/81/88/46/516818846.db2.gz AIBOQKZODVITSQ-JTQLQIEISA-N 0 3 354.350 2.689 20 5 FFBDHN O=C(CN[C@H](CO)C1CCCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000541053654 516847580 /nfs/dbraw/zinc/84/75/80/516847580.db2.gz JBZWVSISEVTOIA-OAHLLOKOSA-N 0 3 355.822 2.718 20 5 FFBDHN CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536858081 516957201 /nfs/dbraw/zinc/95/72/01/516957201.db2.gz OHQFBAURSZPADK-GJZGRUSLSA-N 0 3 369.487 2.678 20 5 FFBDHN C[C@@H](NCCCN1C(=O)NC2(CCCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000532455112 516986172 /nfs/dbraw/zinc/98/61/72/516986172.db2.gz LGALZYKHRCSWCY-CYBMUJFWSA-N 0 3 360.414 2.500 20 5 FFBDHN CN(C(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(OCCN2CCCC2)cc1 ZINC000532458655 516989986 /nfs/dbraw/zinc/98/99/86/516989986.db2.gz UKRDRZCQSVHWQA-UHFFFAOYSA-N 0 3 370.409 2.741 20 5 FFBDHN Cc1c(-c2nc(-c3ccnc(OCCN(C)C)c3)no2)cccc1[N+](=O)[O-] ZINC000545051354 517034185 /nfs/dbraw/zinc/03/41/85/517034185.db2.gz CPMHQRQAMZPJLA-UHFFFAOYSA-N 0 3 369.381 2.956 20 5 FFBDHN COc1ccc(OCCN2CCC[C@](CO)(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000555711889 517079141 /nfs/dbraw/zinc/07/91/41/517079141.db2.gz CUYGLPWJYOEWKQ-SFHVURJKSA-N 0 3 352.431 2.713 20 5 FFBDHN COc1ccc(CN(C)C)cc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000515030560 517176749 /nfs/dbraw/zinc/17/67/49/517176749.db2.gz HVAKKCLUDYSJNG-UHFFFAOYSA-N 0 3 369.381 2.794 20 5 FFBDHN CCc1ccc([C@@H](CNC(=O)c2c([N+](=O)[O-])cnn2C)N(CC)CC)cc1 ZINC000515170860 517238409 /nfs/dbraw/zinc/23/84/09/517238409.db2.gz MLNMIERKHHTOAR-MRXNPFEDSA-N 0 3 373.457 2.704 20 5 FFBDHN COc1ccc(COC[C@@H](O)CN[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000538279069 517537747 /nfs/dbraw/zinc/53/77/47/517537747.db2.gz ITTKLLJXGVNKKD-HOCLYGCPSA-N 0 3 360.410 2.832 20 5 FFBDHN COc1ccc2c(c1)CCCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000556686086 517570833 /nfs/dbraw/zinc/57/08/33/517570833.db2.gz MHTMUKDUGLBXSN-SFHVURJKSA-N 0 3 372.421 2.792 20 5 FFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000542744742 517715044 /nfs/dbraw/zinc/71/50/44/517715044.db2.gz IETPOWHUPMYGRC-UKRRQHHQSA-N 0 3 369.487 2.562 20 5 FFBDHN CN(C[C@H]1CCCN(C)C1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000546565840 517728478 /nfs/dbraw/zinc/72/84/78/517728478.db2.gz RPRWOVMYEGOMTM-ZDUSSCGKSA-N 0 3 351.422 2.812 20 5 FFBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1cccc(Br)c1 ZINC000534138421 517759291 /nfs/dbraw/zinc/75/92/91/517759291.db2.gz PTPBQBYOVJNERS-UHFFFAOYSA-N 0 3 366.215 2.651 20 5 FFBDHN CN(C)CCN(Cc1ccccn1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534245959 517804232 /nfs/dbraw/zinc/80/42/32/517804232.db2.gz HPGBSBGQEGFTKC-UHFFFAOYSA-N 0 3 367.409 2.675 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(c2ccc(O)cc2)CC1 ZINC000543139139 517929409 /nfs/dbraw/zinc/92/94/09/517929409.db2.gz LUYJITCBVWPTCP-SFHVURJKSA-N 0 3 372.421 2.920 20 5 FFBDHN COc1cc(CNC[C@H](CO)C2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000550275044 517966891 /nfs/dbraw/zinc/96/68/91/517966891.db2.gz OHZKBUCBCBHURJ-OAHLLOKOSA-N 0 3 352.431 2.890 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)c1 ZINC000534797001 518036665 /nfs/dbraw/zinc/03/66/65/518036665.db2.gz IWCBICILMYULKM-HOTGVXAUSA-N 0 3 357.410 2.651 20 5 FFBDHN COc1cc(CNCCSCC(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000539528982 518091537 /nfs/dbraw/zinc/09/15/37/518091537.db2.gz WQNLKDZLGGVKOX-UHFFFAOYSA-N 0 3 354.350 2.997 20 5 FFBDHN Cc1n[nH]c(C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000522528568 518121084 /nfs/dbraw/zinc/12/10/84/518121084.db2.gz FBEYMFZHUKORJF-CYBMUJFWSA-N 0 3 357.414 2.582 20 5 FFBDHN CCSc1cc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)ccn1 ZINC000563805523 518133170 /nfs/dbraw/zinc/13/31/70/518133170.db2.gz JBUXRPNLRCUVLV-HNNXBMFYSA-N 0 3 363.439 2.631 20 5 FFBDHN CN(C(=O)c1cc([N+](=O)[O-])cn1C)C1CCN(Cc2ccccc2)CC1 ZINC000563871199 518209380 /nfs/dbraw/zinc/20/93/80/518209380.db2.gz HFRRGRCMQFIKGR-UHFFFAOYSA-N 0 3 356.426 2.670 20 5 FFBDHN CC(C)C[C@@H]1C[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000581365853 518250682 /nfs/dbraw/zinc/25/06/82/518250682.db2.gz PKQZPTGFWCRFFG-GDBMZVCRSA-N 0 3 370.471 2.552 20 5 FFBDHN CC(C)N(CCN(C)C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000584384486 518311892 /nfs/dbraw/zinc/31/18/92/518311892.db2.gz ORBQCHYCUZMBDB-UHFFFAOYSA-N 0 3 361.446 2.600 20 5 FFBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@H]1CN(c2ccccc2)CCO1 ZINC000569821834 518311889 /nfs/dbraw/zinc/31/18/89/518311889.db2.gz DNGVAXWVQJEGKR-FQEVSTJZSA-N 0 3 355.438 2.975 20 5 FFBDHN O=[N+]([O-])c1ccc(CN[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000576194427 518473179 /nfs/dbraw/zinc/47/31/79/518473179.db2.gz CLOZVSFDNAZLSQ-ICSRJNTNSA-N 0 3 355.438 2.567 20 5 FFBDHN Cc1c(CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000573036211 518475538 /nfs/dbraw/zinc/47/55/38/518475538.db2.gz DOCZNRWFRGNGET-GOSISDBHSA-N 0 3 368.437 2.827 20 5 FFBDHN COC(=O)c1cc(C)nc(N[C@H](C)CN2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000579154210 518546465 /nfs/dbraw/zinc/54/64/65/518546465.db2.gz XLVSUTXSHGAQOS-MBNYWOFBSA-N 0 3 364.446 2.863 20 5 FFBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@H](c2cccnc2)C1 ZINC000573320658 518610005 /nfs/dbraw/zinc/61/00/05/518610005.db2.gz DMEHHNIXEZESCM-HNNXBMFYSA-N 0 3 368.393 2.777 20 5 FFBDHN CCc1nn(C)c(N2CCN(c3ccnc4ccccc43)CC2)c1[N+](=O)[O-] ZINC000579362705 518645125 /nfs/dbraw/zinc/64/51/25/518645125.db2.gz YDCIKYXONZYSGB-UHFFFAOYSA-N 0 3 366.425 2.766 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC[C@@H](O)Cc1cccc(Cl)c1 ZINC000582296045 518684556 /nfs/dbraw/zinc/68/45/56/518684556.db2.gz JVPBIRRNXFHFJX-INIZCTEOSA-N 0 3 350.802 2.950 20 5 FFBDHN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CN1C1CC1 ZINC000582311529 518692474 /nfs/dbraw/zinc/69/24/74/518692474.db2.gz PCEAFIZSXZNNDI-CHWSQXEVSA-N 0 3 364.421 2.608 20 5 FFBDHN CN1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@H]1Cc1ccccc1 ZINC000588053403 518711295 /nfs/dbraw/zinc/71/12/95/518711295.db2.gz KTLHEJXOGFLYCJ-QGZVFWFLSA-N 0 3 363.421 2.901 20 5 FFBDHN O=C(CCN[C@@H]1COc2ccc(F)cc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000570711407 518742860 /nfs/dbraw/zinc/74/28/60/518742860.db2.gz ODPOSIANENMYQO-AWEZNQCLSA-N 0 3 359.357 2.656 20 5 FFBDHN C[C@@H](Cn1ncc2ccccc2c1=O)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582430560 518750743 /nfs/dbraw/zinc/75/07/43/518750743.db2.gz APEDBVOPAMMAQO-SCLBCKFNSA-N 0 3 364.405 2.970 20 5 FFBDHN C[C@@H]1[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000588771271 518825696 /nfs/dbraw/zinc/82/56/96/518825696.db2.gz QSRVJIABOBWDMP-DNVCBOLYSA-N 0 3 353.422 2.917 20 5 FFBDHN COC(=O)c1cc(C)nc(N[C@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000582919208 518986124 /nfs/dbraw/zinc/98/61/24/518986124.db2.gz WJQOCVUZBJKSHE-HNNXBMFYSA-N 0 3 370.409 2.771 20 5 FFBDHN CN1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1Cc1ccccc1 ZINC000583100594 519076967 /nfs/dbraw/zinc/07/69/67/519076967.db2.gz RMAAOHKZVCRUJN-MRXNPFEDSA-N 0 3 351.410 2.834 20 5 FFBDHN O=[N+]([O-])c1cnc2ccccc2c1N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000589859449 519094620 /nfs/dbraw/zinc/09/46/20/519094620.db2.gz HTSSCNUKXBBCAZ-HNNXBMFYSA-N 0 3 356.426 2.834 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000565778041 519128201 /nfs/dbraw/zinc/12/82/01/519128201.db2.gz NRWMANNDXLCVAH-PBHICJAKSA-N 0 3 368.437 2.817 20 5 FFBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H](C)C1 ZINC000574473718 519171891 /nfs/dbraw/zinc/17/18/91/519171891.db2.gz FZTPMPAMXGDTQG-VEVIJQCQSA-N 0 3 356.426 2.878 20 5 FFBDHN COc1ccc([C@@H](CN(C)C)NC(=O)Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000568769069 519205950 /nfs/dbraw/zinc/20/59/50/519205950.db2.gz PNUJEELVKPJHSA-GOSISDBHSA-N 0 3 371.437 2.873 20 5 FFBDHN O=[N+]([O-])c1cc(N2CCN(C3CCOCC3)CC2)ccc1C(F)(F)F ZINC000590585837 519274946 /nfs/dbraw/zinc/27/49/46/519274946.db2.gz TWMXCAIVDGFOMQ-UHFFFAOYSA-N 0 3 359.348 2.915 20 5 FFBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000590632603 519296653 /nfs/dbraw/zinc/29/66/53/519296653.db2.gz JSZYERYQAMMZCF-LBPRGKRZSA-N 0 3 357.332 2.828 20 5 FFBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000590632602 519296737 /nfs/dbraw/zinc/29/67/37/519296737.db2.gz JSZYERYQAMMZCF-GFCCVEGCSA-N 0 3 357.332 2.828 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CN[C@@H]1CCO[C@@H](c3cccnc3)C1)OCCO2 ZINC000590659653 519305836 /nfs/dbraw/zinc/30/58/36/519305836.db2.gz PLOWPWODWQONNI-NVXWUHKLSA-N 0 3 371.393 2.771 20 5 FFBDHN O=C([C@@H]1CNCc2ccccc21)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000571915759 519345583 /nfs/dbraw/zinc/34/55/83/519345583.db2.gz YRQNHNRTMDUZMX-GOSISDBHSA-N 0 3 351.406 2.973 20 5 FFBDHN CS[C@@H]1CCC[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000571993731 519385858 /nfs/dbraw/zinc/38/58/58/519385858.db2.gz HKONDNMBBYFMHA-TZMCWYRMSA-N 0 3 358.485 2.632 20 5 FFBDHN COc1c(C(=O)N(C)CCCN(C)Cc2ccncc2)cccc1[N+](=O)[O-] ZINC000574921178 519405802 /nfs/dbraw/zinc/40/58/02/519405802.db2.gz OLWZBGACWWTCIO-UHFFFAOYSA-N 0 3 372.425 2.593 20 5 FFBDHN CN(C)CCn1nccc1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000578157149 519449611 /nfs/dbraw/zinc/44/96/11/519449611.db2.gz QWOUPSYJYMROFS-UHFFFAOYSA-N 0 3 359.430 2.903 20 5 FFBDHN Cc1nn(C)cc1[C@H]1CCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000591016064 519477762 /nfs/dbraw/zinc/47/77/62/519477762.db2.gz OLRHIDSJYDBRHZ-QGZVFWFLSA-N 0 3 357.414 2.802 20 5 FFBDHN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1-n1ccnn1 ZINC000581087781 519516953 /nfs/dbraw/zinc/51/69/53/519516953.db2.gz XRCOZLZRDGYQBT-AWEZNQCLSA-N 0 3 353.382 2.905 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CNCC[C@@H]1COc3ccccc3O1)OCCO2 ZINC000591357228 519607291 /nfs/dbraw/zinc/60/72/91/519607291.db2.gz PBFJBCYWEMSGMZ-CQSZACIVSA-N 0 3 372.377 2.686 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H](c2cccnc2)C1 ZINC000602856887 519930124 /nfs/dbraw/zinc/93/01/24/519930124.db2.gz STXWIYJJNHQBLB-DLBZAZTESA-N 0 3 357.410 2.609 20 5 FFBDHN Cc1cccc(CN(CCN(C)C)C(=O)Nc2c(C)cncc2[N+](=O)[O-])c1 ZINC000602953632 519990701 /nfs/dbraw/zinc/99/07/01/519990701.db2.gz BYXHSGOOKWJAHO-UHFFFAOYSA-N 0 3 371.441 2.624 20 5 FFBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCCN(Cc2ccccc2)CC1 ZINC000591685120 519996623 /nfs/dbraw/zinc/99/66/23/519996623.db2.gz RYCJVTVKWBVHKC-UHFFFAOYSA-N 0 3 353.422 2.872 20 5 FFBDHN O=C(Nc1cnc2c(c1)CNCC2)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000591681311 519997116 /nfs/dbraw/zinc/99/71/16/519997116.db2.gz DSKVYYWEZDWLDT-UHFFFAOYSA-N 0 3 366.299 2.907 20 5 FFBDHN NC(=O)c1ccccc1N1CC[C@@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000594494946 520002309 /nfs/dbraw/zinc/00/23/09/520002309.db2.gz INVIWTITIQWELS-DYVFJYSZSA-N 0 3 366.421 2.550 20 5 FFBDHN COC(=O)COc1ccc(CN[C@H]2C[C@H](OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594517219 520011730 /nfs/dbraw/zinc/01/17/30/520011730.db2.gz IITCONNJNOCCIJ-HDJSIYSDSA-N 0 3 366.414 2.582 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCC2(C3CCC3)CCC2)cc1 ZINC000591771127 520032624 /nfs/dbraw/zinc/03/26/24/520032624.db2.gz KZFCCWPEXGHXGR-UHFFFAOYSA-N 0 3 352.456 2.929 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCN(c2ccncc2)CC1 ZINC000603083393 520068864 /nfs/dbraw/zinc/06/88/64/520068864.db2.gz LTPKKNACPRWIPF-UHFFFAOYSA-N 0 3 354.410 2.959 20 5 FFBDHN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCCN(c2ccncc2)CC1 ZINC000603084890 520069666 /nfs/dbraw/zinc/06/96/66/520069666.db2.gz XZXCEIQWQMRKAB-UHFFFAOYSA-N 0 3 360.801 2.996 20 5 FFBDHN Cc1cccc(CC2CN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)c1 ZINC000612676889 520084142 /nfs/dbraw/zinc/08/41/42/520084142.db2.gz PUVFFGXGLVXGEE-GOSISDBHSA-N 0 3 356.422 2.817 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CCCc1ccccc1)CCN(C)C ZINC000608879367 520154280 /nfs/dbraw/zinc/15/42/80/520154280.db2.gz ZHFSIUZGTBMEOH-UHFFFAOYSA-N 0 3 370.453 2.935 20 5 FFBDHN Cc1ccc(S(=O)(=O)N[C@H]2CCN(C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000594854454 520190616 /nfs/dbraw/zinc/19/06/16/520190616.db2.gz LGSIZZJMXMHDAO-AWEZNQCLSA-N 0 3 367.471 2.589 20 5 FFBDHN CC(C)[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1(CO)CC=CC1 ZINC000592178252 520247187 /nfs/dbraw/zinc/24/71/87/520247187.db2.gz QBCIZTRRJHEFJU-GOSISDBHSA-N 0 3 361.442 2.501 20 5 FFBDHN CN(CCCN(C)c1ncnc2ccc([N+](=O)[O-])cc21)Cc1ccncc1 ZINC000603400121 520248109 /nfs/dbraw/zinc/24/81/09/520248109.db2.gz KKCWUZJPLPRIDV-UHFFFAOYSA-N 0 3 366.425 2.891 20 5 FFBDHN C[C@@H]1CC2(CN1[C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CCOCC2 ZINC000592183921 520248825 /nfs/dbraw/zinc/24/88/25/520248825.db2.gz LFJILTUSDNKZTN-RHSMWYFYSA-N 0 3 359.426 2.591 20 5 FFBDHN CC(C)(CNCc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@]1(O)CCCOC1 ZINC000594997490 520249343 /nfs/dbraw/zinc/24/93/43/520249343.db2.gz XGMQYZLZQVEYLG-QGZVFWFLSA-N 0 3 374.384 2.854 20 5 FFBDHN CN(CCn1cc(Br)c([N+](=O)[O-])n1)Cc1ccc(F)cc1 ZINC000612998688 520263259 /nfs/dbraw/zinc/26/32/59/520263259.db2.gz AQYSWXZKKVKIGX-UHFFFAOYSA-N 0 3 357.183 2.825 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000595048925 520269320 /nfs/dbraw/zinc/26/93/20/520269320.db2.gz SOAVRWJSEQQQME-LSDHHAIUSA-N 0 3 373.457 2.965 20 5 FFBDHN O=C(NC[C@@H]1CCN1C1CCCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600470129 520278726 /nfs/dbraw/zinc/27/87/26/520278726.db2.gz GDFKXORVNTUXQM-KRWDZBQOSA-N 0 3 369.425 2.527 20 5 FFBDHN CC(C)(C)N1CC[C@H]1CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000597859591 520286571 /nfs/dbraw/zinc/28/65/71/520286571.db2.gz VSGYGINELXBMJD-INIZCTEOSA-N 0 3 374.485 2.800 20 5 FFBDHN O=C(NCCN1CCCCCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000603572138 520310435 /nfs/dbraw/zinc/31/04/35/520310435.db2.gz NUNDFWHANAVEHH-UHFFFAOYSA-N 0 3 374.485 2.803 20 5 FFBDHN CCOc1cc(C(=O)NCCN2CCCCCC2)c([N+](=O)[O-])cc1OC ZINC000603572159 520310514 /nfs/dbraw/zinc/31/05/14/520310514.db2.gz OWKUYXZPVJQVFY-UHFFFAOYSA-N 0 3 365.430 2.608 20 5 FFBDHN CCN(C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000597944069 520342763 /nfs/dbraw/zinc/34/27/63/520342763.db2.gz BXIXLWMPDLXIKQ-DOTOQJQBSA-N 0 3 374.485 2.997 20 5 FFBDHN CCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000597945578 520344965 /nfs/dbraw/zinc/34/49/65/520344965.db2.gz ITDLLUNPUSVAKO-DGCLKSJQSA-N 0 3 355.822 2.568 20 5 FFBDHN CCN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000597945597 520345081 /nfs/dbraw/zinc/34/50/81/520345081.db2.gz JKZIBDDBMDKMEW-ZDUSSCGKSA-N 0 3 355.822 2.570 20 5 FFBDHN CC(C)(C)OC(=O)C1(CNCc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000592374343 520355965 /nfs/dbraw/zinc/35/59/65/520355965.db2.gz MNPMNYGATZBDMI-UHFFFAOYSA-N 0 3 350.415 2.823 20 5 FFBDHN CC(C)N1CC[C@H](CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000609560654 520358785 /nfs/dbraw/zinc/35/87/85/520358785.db2.gz DVNUHFMQZVPZKD-CQSZACIVSA-N 0 3 371.441 2.702 20 5 FFBDHN CC(C)CNC(=O)CCCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000595329997 520411124 /nfs/dbraw/zinc/41/11/24/520411124.db2.gz GIURPTUVRRWXEO-UHFFFAOYSA-N 0 3 363.458 2.990 20 5 FFBDHN Cc1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]2)ccc1OCC[NH+]1CCCC1 ZINC000609887115 520469437 /nfs/dbraw/zinc/46/94/37/520469437.db2.gz QYXRUAYQGZVWPE-UHFFFAOYSA-N 0 3 358.398 2.958 20 5 FFBDHN CCCCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccc(C)o1 ZINC000610368245 520655111 /nfs/dbraw/zinc/65/51/11/520655111.db2.gz PYDQZVDCNOYKHN-HOCLYGCPSA-N 0 3 350.419 2.917 20 5 FFBDHN C[C@H]1c2ccccc2C[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595706160 520662348 /nfs/dbraw/zinc/66/23/48/520662348.db2.gz HIIWUSVADKOWKQ-SCLBCKFNSA-N 0 3 360.435 2.687 20 5 FFBDHN C[C@@H](CNCc1csc([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000601163367 520667838 /nfs/dbraw/zinc/66/78/38/520667838.db2.gz GZGZDDCFRVKKAA-NSHDSACASA-N 0 3 354.453 2.953 20 5 FFBDHN CC[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)N1 ZINC000598532425 520683949 /nfs/dbraw/zinc/68/39/49/520683949.db2.gz XXHMEHDLRBGKFA-CMPLNLGQSA-N 0 3 357.863 2.939 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000595770868 520713417 /nfs/dbraw/zinc/71/34/17/520713417.db2.gz OBJRPQFMIUHFDB-NVXWUHKLSA-N 0 3 371.441 2.576 20 5 FFBDHN CC(C)[C@@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCN1 ZINC000598569229 520714277 /nfs/dbraw/zinc/71/42/77/520714277.db2.gz BXVNMIDDLOKLFY-AWEZNQCLSA-N 0 3 360.439 2.788 20 5 FFBDHN CC(C)(C)O[C@@H]1C[C@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCC2 ZINC000595779129 520717971 /nfs/dbraw/zinc/71/79/71/520717971.db2.gz ZKUJSPPKMSVNDN-JKSUJKDBSA-N 0 3 361.442 2.910 20 5 FFBDHN C[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCc2ccc(F)cc21 ZINC000593115670 520755485 /nfs/dbraw/zinc/75/54/85/520755485.db2.gz HVAFFFIEQSGEEU-LBPRGKRZSA-N 0 3 357.385 2.995 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@]2(CC2(F)F)C1 ZINC000593118339 520757931 /nfs/dbraw/zinc/75/79/31/520757931.db2.gz QKCQPTVOQWRWEX-HNNXBMFYSA-N 0 3 355.341 2.663 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@]2(CC2(F)F)C1 ZINC000593119419 520759137 /nfs/dbraw/zinc/75/91/37/520759137.db2.gz YHUDPPYXTKEVEZ-OAHLLOKOSA-N 0 3 355.341 2.663 20 5 FFBDHN CNc1ccc(C(=O)Nc2ccc(CN(C)C)cc2OC)cc1[N+](=O)[O-] ZINC000601621969 520868759 /nfs/dbraw/zinc/86/87/59/520868759.db2.gz QJKVUDKDXCRTRD-UHFFFAOYSA-N 0 3 358.398 2.959 20 5 FFBDHN COc1ccc(CN2CC[C@H](NCCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000596047154 520876408 /nfs/dbraw/zinc/87/64/08/520876408.db2.gz MPXIJUKJJWSVOV-IBGZPJMESA-N 0 3 369.421 2.537 20 5 FFBDHN C[C@@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)N1CCc2ccccc2C1 ZINC000596074870 520895576 /nfs/dbraw/zinc/89/55/76/520895576.db2.gz IRMPDXSUOIOFBG-ZDUSSCGKSA-N 0 3 354.410 2.552 20 5 FFBDHN CCN1CCN([C@H](C)CNc2cc(OC)c([N+](=O)[O-])cc2Cl)CC1 ZINC000596078822 520898817 /nfs/dbraw/zinc/89/88/17/520898817.db2.gz UMUCAAQFANDFQE-GFCCVEGCSA-N 0 3 356.854 2.695 20 5 FFBDHN COC(=O)c1c(Cl)c(NC[C@]2(N(C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000596150011 520939577 /nfs/dbraw/zinc/93/95/77/520939577.db2.gz TYHINOZPAOQTDZ-OAHLLOKOSA-N 0 3 373.862 2.884 20 5 FFBDHN COC(=O)c1cc(C)nc(N2CCN(C)C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000596251679 520995172 /nfs/dbraw/zinc/99/51/72/520995172.db2.gz WAOKMAYHVHASGS-UHFFFAOYSA-N 0 3 362.430 2.540 20 5 FFBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1CN1CCCCC1 ZINC000611155702 521014921 /nfs/dbraw/zinc/01/49/21/521014921.db2.gz ORPSZMPQMHXHOT-SFHVURJKSA-N 0 3 360.458 2.797 20 5 FFBDHN CC(C)(C)N1CC[C@@H]1CNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000596309473 521021929 /nfs/dbraw/zinc/02/19/29/521021929.db2.gz SCQPTKQUJMMZDU-CYBMUJFWSA-N 0 3 366.437 2.855 20 5 FFBDHN CC(C)(C)Oc1cc(N2CCN([C@H]3CCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000611203188 521034696 /nfs/dbraw/zinc/03/46/96/521034696.db2.gz ORXLOHGVHZEFHW-RDJZCZTQSA-N 0 3 363.458 2.808 20 5 FFBDHN CN(C)[C@H]1CCCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599289199 521128963 /nfs/dbraw/zinc/12/89/63/521128963.db2.gz BHRCVAAVEWQXBV-JTQLQIEISA-N 0 3 356.220 2.524 20 5 FFBDHN CCN(C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCN(C)C1 ZINC000596585184 521146534 /nfs/dbraw/zinc/14/65/34/521146534.db2.gz DYVLRRKUAOCENE-CYBMUJFWSA-N 0 3 374.363 2.849 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)CCCN(C)Cc1ccncc1 ZINC000593714140 521169973 /nfs/dbraw/zinc/16/99/73/521169973.db2.gz MYRDOQRDIXUYJY-UHFFFAOYSA-N 0 3 372.425 2.593 20 5 FFBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000602291270 521262860 /nfs/dbraw/zinc/26/28/60/521262860.db2.gz KMMMPWIRIWFLBW-YJBOKZPZSA-N 0 3 357.454 2.959 20 5 FFBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000602402524 521322552 /nfs/dbraw/zinc/32/25/52/521322552.db2.gz QVYDPAZSBFZOHL-UHFFFAOYSA-N 0 3 372.429 2.722 20 5 FFBDHN C[C@H](N[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599626592 521340663 /nfs/dbraw/zinc/34/06/63/521340663.db2.gz SELWJZLVLKWAAY-AOVQSLKQSA-N 0 3 355.822 2.977 20 5 FFBDHN CC[C@@H]1CCCCN1CCNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000611828822 521354478 /nfs/dbraw/zinc/35/44/78/521354478.db2.gz WXGKIQPGFMOLEZ-CQSZACIVSA-N 0 3 350.419 2.989 20 5 FFBDHN CCC(C)(C)N1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000594021861 521356406 /nfs/dbraw/zinc/35/64/06/521356406.db2.gz YPXWYIGJBSVPGO-UHFFFAOYSA-N 0 3 368.865 2.993 20 5 FFBDHN CCOc1ccc(NC(=O)CN[C@@H](CC)[C@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000594044448 521370225 /nfs/dbraw/zinc/37/02/25/521370225.db2.gz QXQYLMVYKXGCFY-WMLDXEAASA-N 0 3 365.430 2.869 20 5 FFBDHN CC(C)N1CCC[C@@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599768817 521458525 /nfs/dbraw/zinc/45/85/25/521458525.db2.gz NJBXFDXGBRQCGJ-LLVKDONJSA-N 0 3 370.247 2.960 20 5 FFBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000594198715 521465243 /nfs/dbraw/zinc/46/52/43/521465243.db2.gz VFPGQRSUYZPBKF-ZBFHGGJFSA-N 0 3 369.425 2.527 20 5 FFBDHN Nc1c(NC(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc(Cl)cc1[N+](=O)[O-] ZINC000597091961 521498559 /nfs/dbraw/zinc/49/85/59/521498559.db2.gz HULQDHKBQILLKA-AAEUAGOBSA-N 0 3 367.837 2.969 20 5 FFBDHN CN1CCC[C@]2(CCN(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3N)C2)C1 ZINC000597093866 521499656 /nfs/dbraw/zinc/49/96/56/521499656.db2.gz ZAGNQXADIPYIRD-INIZCTEOSA-N 0 3 367.837 2.780 20 5 FFBDHN CN1C[C@@H]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])c4ccncc34)[C@@H]2C1 ZINC000599836981 521502743 /nfs/dbraw/zinc/50/27/43/521502743.db2.gz BBRWDKFONHTJRM-YVEFUNNKSA-N 0 3 355.398 2.701 20 5 FFBDHN Cc1ccc2nc([C@@H]3CCCN(Cc4cn(C)nc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000602801610 521539995 /nfs/dbraw/zinc/53/99/95/521539995.db2.gz XKEOXHJSWKIPSM-CYBMUJFWSA-N 0 3 354.414 2.893 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000602837058 521562215 /nfs/dbraw/zinc/56/22/15/521562215.db2.gz SNMZPVYFJJGXQO-CQSZACIVSA-N 0 3 372.347 2.832 20 5 FFBDHN O=[N+]([O-])c1cc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)nc2[nH]ccc21 ZINC001164732945 720412167 /nfs/dbraw/zinc/41/21/67/720412167.db2.gz OWDBUASTGOEGRH-HOTGVXAUSA-N 0 3 364.409 2.719 20 5 FFBDHN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)CC1CCOCC1 ZINC000155784816 728836093 /nfs/dbraw/zinc/83/60/93/728836093.db2.gz GNPALBBBPKIKFG-LLVKDONJSA-N 0 3 355.822 2.934 20 5 FFBDHN C[C@H]1CCCN1CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000744345424 735350792 /nfs/dbraw/zinc/35/07/92/735350792.db2.gz OIKCLZVCMDAGBE-LBPRGKRZSA-N 0 3 360.439 2.932 20 5 FFBDHN CC[C@H](C)N(C)CCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000110508287 728532131 /nfs/dbraw/zinc/53/21/31/728532131.db2.gz AFYJQGYSHHKINB-JTQLQIEISA-N 0 3 365.402 2.733 20 5 FFBDHN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N1CCc2cnccc21 ZINC000175006558 729084848 /nfs/dbraw/zinc/08/48/48/729084848.db2.gz ZAXUCGIODPDHDS-UHFFFAOYSA-N 0 3 373.312 2.978 20 5 FFBDHN CC(C)[C@@H](NCc1cn(C)nc1[N+](=O)[O-])[C@@H](O)c1ccc(Cl)cc1 ZINC000878996899 732628772 /nfs/dbraw/zinc/62/87/72/732628772.db2.gz QCLKHAOSOBJGFF-CABCVRRESA-N 0 3 352.822 2.830 20 5 FFBDHN O=[N+]([O-])c1c(N2CC[C@H]3[C@H]2CCCN3CCO)cccc1C(F)(F)F ZINC000897216014 735207185 /nfs/dbraw/zinc/20/71/85/735207185.db2.gz GRBYLLJFFFBNES-QWHCGFSZSA-N 0 3 359.348 2.649 20 5 FFBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000897220405 735207906 /nfs/dbraw/zinc/20/79/06/735207906.db2.gz ASLDRYCVEADEEZ-CHWSQXEVSA-N 0 3 359.348 2.649 20 5 FFBDHN O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000749993769 735765679 /nfs/dbraw/zinc/76/56/79/735765679.db2.gz OEZDWPUAUKEJAJ-CYBMUJFWSA-N 0 3 367.833 2.621 20 5 FFBDHN CCCCN(C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000752252409 735971319 /nfs/dbraw/zinc/97/13/19/735971319.db2.gz XSNMNACOPVQPFL-UHFFFAOYSA-N 0 3 363.867 2.567 20 5 FFBDHN COc1cc([C@H](C)NC[C@@H]2CC[C@@]3(CO[C@@H](C)C3)O2)cc([N+](=O)[O-])c1 ZINC000903221759 736058263 /nfs/dbraw/zinc/05/82/63/736058263.db2.gz SRJJOMTTXOQILD-RASHJEQFSA-N 0 3 350.415 2.981 20 5 FFBDHN O=[N+]([O-])c1ccc([C@H](O)CNCc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000754250675 736140564 /nfs/dbraw/zinc/14/05/64/736140564.db2.gz LWLIZRJTHZRZJP-OAHLLOKOSA-N 0 3 364.785 2.843 20 5 FFBDHN O=C(CN[C@H]1Cc2cccc(O)c2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000759710215 736588168 /nfs/dbraw/zinc/58/81/68/736588168.db2.gz CGOHHQLNFBQIOI-LBPRGKRZSA-N 0 3 361.785 2.649 20 5 FFBDHN CCN1CCCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000910285587 737053246 /nfs/dbraw/zinc/05/32/46/737053246.db2.gz SGUFUOJAIJBKQL-GFCCVEGCSA-N 0 3 367.471 2.882 20 5 FFBDHN O=[N+]([O-])CCNC1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000930569327 739130024 /nfs/dbraw/zinc/13/00/24/739130024.db2.gz CWBCBRRDAPGNPQ-UHFFFAOYSA-N 0 3 361.211 2.546 20 5 FFBDHN COc1cc(COC(=O)C2CCN(C3CC3)CC2)c([N+](=O)[O-])cc1F ZINC000801874393 740660385 /nfs/dbraw/zinc/66/03/85/740660385.db2.gz PJHHLUFVOUWXTL-UHFFFAOYSA-N 0 3 352.362 2.660 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H](C)CN(C)C(C)C)c1 ZINC000810091430 741384811 /nfs/dbraw/zinc/38/48/11/741384811.db2.gz UUDDONITONDOID-LLVKDONJSA-N 0 3 363.867 2.564 20 5 FFBDHN CC(COC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1)[N+](=O)[O-] ZINC000813102507 741676960 /nfs/dbraw/zinc/67/69/60/741676960.db2.gz GVTDNHZKOCBMER-VIFPVBQESA-N 0 3 358.272 2.998 20 5 FFBDHN CC(COC(=O)C[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000813113252 741678196 /nfs/dbraw/zinc/67/81/96/741678196.db2.gz OUPKYVQECHVMEC-HZSPNIEDSA-N 0 3 358.435 2.868 20 5 FFBDHN CC(COC(=O)c1cc(Cl)ccc1I)[N+](=O)[O-] ZINC000813113400 741678886 /nfs/dbraw/zinc/67/88/86/741678886.db2.gz DCBSQIZELZUDQU-ZCFIWIBFSA-N 0 3 369.542 2.767 20 5 FFBDHN CC(C)OCCN1CCC(NC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000816943264 742075159 /nfs/dbraw/zinc/07/51/59/742075159.db2.gz RXPFJHZNHDADOM-UHFFFAOYSA-N 0 3 369.849 2.867 20 5 FFBDHN CC(COC(=O)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)[N+](=O)[O-] ZINC000835453779 746017449 /nfs/dbraw/zinc/01/74/49/746017449.db2.gz GLQAMQPBAWRWBA-NHYWBVRUSA-N 0 3 361.316 2.863 20 5 FFBDHN CC([C@@H](OC(=O)CNC(=O)CC(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845875893 748342142 /nfs/dbraw/zinc/34/21/42/748342142.db2.gz NZUQVFDAIWZKNB-MEDUHNTESA-N 0 3 354.378 2.628 20 5 FFBDHN CC([C@@H](OC(=O)c1ccn(CC(F)F)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845881473 748344275 /nfs/dbraw/zinc/34/42/75/748344275.db2.gz LATPHQFXJIGVSH-YMTOWFKASA-N 0 3 357.288 2.851 20 5 FFBDHN C[C@H](NCC(C)(C)[C@H]1COCC12OCCO2)c1c(F)cccc1[N+](=O)[O-] ZINC000872079691 1013140540 /nfs/dbraw/zinc/14/05/40/1013140540.db2.gz OEGHCHWVCDENBP-SWLSCSKDSA-N 0 3 368.405 2.800 20 5 FFBDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255201676 962712648 /nfs/dbraw/zinc/71/26/48/962712648.db2.gz SWMHYXHLOKJLNB-FLIBITNWSA-N 0 3 369.421 2.904 20 5 FFBDHN C[C@H](NC(=O)NC[C@@H]1Cc2ccccc2CN1)c1ccccc1[N+](=O)[O-] ZINC000891751224 965015384 /nfs/dbraw/zinc/01/53/84/965015384.db2.gz RCIJWLIQVSAIKM-BBRMVZONSA-N 0 3 354.410 2.670 20 5 FFBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000065940257 969167822 /nfs/dbraw/zinc/16/78/22/969167822.db2.gz FKIYLWXRSFOYRT-UHFFFAOYSA-N 0 3 360.389 2.520 20 5 FFBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000825764732 1013968357 /nfs/dbraw/zinc/96/83/57/1013968357.db2.gz MLPLVEUZPHUBGK-CHWSQXEVSA-N 0 3 366.437 2.793 20 5 FFBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC000899199335 977009392 /nfs/dbraw/zinc/00/93/92/977009392.db2.gz HDNQCHXQMVLBMW-CVEARBPZSA-N 0 3 354.410 2.639 20 5 FFBDHN COc1cccc(C(=O)NCCCN2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000193989614 989120233 /nfs/dbraw/zinc/12/02/33/989120233.db2.gz NTJZOLQFAHYAFO-UHFFFAOYSA-N 0 3 369.421 2.782 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CN[C@H]1C[C@@](CO)(c3ccccc3)C1)OCCO2 ZINC000923010554 990790604 /nfs/dbraw/zinc/79/06/04/990790604.db2.gz UXKMPEIKHPTPMM-MOBUCQHHSA-N 0 3 370.405 2.548 20 5 FFBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H]2C[C@H](O)C23CCOCC3)o1 ZINC000923017554 990794981 /nfs/dbraw/zinc/79/49/81/990794981.db2.gz BOEDNXHLJGNYOP-ROUUACIJSA-N 0 3 358.394 2.874 20 5 FFBDHN CC(COC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1)[N+](=O)[O-] ZINC000813101784 995615457 /nfs/dbraw/zinc/61/54/57/995615457.db2.gz IRKSEQUFDQRYSL-PBHICJAKSA-N 0 3 372.377 2.863 20 5 FFBDHN CC(COC(=O)Cn1c(COc2ccccc2)nc2ccccc21)[N+](=O)[O-] ZINC000813110652 995625527 /nfs/dbraw/zinc/62/55/27/995625527.db2.gz GQEHDDVZNGIXNH-AWEZNQCLSA-N 0 3 369.377 2.824 20 5 FFBDHN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)OCC(C)[N+](=O)[O-])c12 ZINC000813113885 995625880 /nfs/dbraw/zinc/62/58/80/995625880.db2.gz VSHAYHMQASSRDJ-LLVKDONJSA-N 0 3 354.366 2.766 20 5 FFBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825389876 997333596 /nfs/dbraw/zinc/33/35/96/997333596.db2.gz VZPUTLMCUBYERC-LJHODMEESA-N 0 3 369.421 2.580 20 5 FFBDHN CN(C)CCN(CCc1ccccc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731459791 997927370 /nfs/dbraw/zinc/92/73/70/997927370.db2.gz LNQMPHILPARBFX-UHFFFAOYSA-N 0 3 359.401 2.980 20 5 FFBDHN CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)[C@H]1CCN(C2CC2)C1 ZINC000732165173 998498118 /nfs/dbraw/zinc/49/81/18/998498118.db2.gz CTWKVROQQZJTEA-KRWDZBQOSA-N 0 3 372.469 2.894 20 5 FFBDHN CC(C)(C)N1CC[C@H]1COC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000845735484 998641881 /nfs/dbraw/zinc/64/18/81/998641881.db2.gz NFDVLYCYIMPAQG-HNNXBMFYSA-N 0 3 358.398 2.810 20 5 FFBDHN CC([C@H](OC(=O)[C@@H]1Cc2ccccc2C(=O)O1)c1ccccc1F)[N+](=O)[O-] ZINC000845872664 998676242 /nfs/dbraw/zinc/67/62/42/998676242.db2.gz LJMZOSYZSQQZKQ-NVGVWMPQSA-N 0 3 373.336 2.857 20 5 FFBDHN O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000733158793 998901586 /nfs/dbraw/zinc/90/15/86/998901586.db2.gz QYZBONUGWKJYDT-MRXNPFEDSA-N 0 3 373.409 2.714 20 5 FFBDHN O=[N+]([O-])c1ccccc1CN[C@]1(CO)CCCN(Cc2ccccc2)C1 ZINC000733898732 999127359 /nfs/dbraw/zinc/12/73/59/999127359.db2.gz TXLCVWCILQDROA-HXUWFJFHSA-N 0 3 355.438 2.712 20 5 FFBDHN Nc1ccc(C(=O)N(CCN2CCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000739800558 999653135 /nfs/dbraw/zinc/65/31/35/999653135.db2.gz PWVBUKGFSUKBDN-UHFFFAOYSA-N 0 3 354.410 2.920 20 5 FFBDHN CC(C)(C)OC(=O)N1CC2(C1)CCCCN2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011394 1000015591 /nfs/dbraw/zinc/01/55/91/1000015591.db2.gz KDAJAMMPHBZCJR-HUUCEWRRSA-N 0 3 353.463 2.907 20 5 FFBDHN COc1ccc2c(c1)NC(=O)C[C@H]2CNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001169922505 1000088313 /nfs/dbraw/zinc/08/83/13/1000088313.db2.gz OMELCGAUZMSTFT-ZDUSSCGKSA-N 0 3 368.393 2.745 20 5 FFBDHN CN(C)Cc1ccccc1CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000771507834 1001133530 /nfs/dbraw/zinc/13/35/30/1001133530.db2.gz BEBKFHDPQFCMSE-UHFFFAOYSA-N 0 3 371.422 2.591 20 5 FFBDHN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)OCCN1CCCCC1 ZINC000786788434 1001627079 /nfs/dbraw/zinc/62/70/79/1001627079.db2.gz ROBLHJJIISVWJM-UHFFFAOYSA-N 0 3 359.382 2.551 20 5 FFBDHN Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@H]2N(C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000790284844 1002319717 /nfs/dbraw/zinc/31/97/17/1002319717.db2.gz IDUKFBXSSNMZJE-AWEZNQCLSA-N 0 3 366.418 2.836 20 5 FFBDHN COc1ccc(C[C@H](C)NCC(=O)N2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC001170297188 1003091920 /nfs/dbraw/zinc/09/19/20/1003091920.db2.gz LUDWCUHLDLUYSX-AWEZNQCLSA-N 0 3 369.421 2.713 20 5 FFBDHN COc1ccc(C[C@@H](C)N2CCC(C(C)(C)C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC001170345806 1003131509 /nfs/dbraw/zinc/13/15/09/1003131509.db2.gz MBDPTGPUOIDKDD-CYBMUJFWSA-N 0 3 363.458 2.758 20 5 FFBDHN CC(C)(C)OC(=O)NCC[C@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000805764564 1004138205 /nfs/dbraw/zinc/13/82/05/1004138205.db2.gz HFWNPTJXMQMSBW-CQSZACIVSA-N 0 3 367.450 2.561 20 5 FFBDHN CCOC(=O)C1=C(Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCNC1 ZINC001170516248 1004487579 /nfs/dbraw/zinc/48/75/79/1004487579.db2.gz RTFRHPXHRGJINK-UHFFFAOYSA-N 0 3 359.304 2.836 20 5 FFBDHN CCOC(=O)C1=C(Nc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCNC1 ZINC001170516783 1004498244 /nfs/dbraw/zinc/49/82/44/1004498244.db2.gz GCFFANCWQYUFGM-UHFFFAOYSA-N 0 3 359.304 2.836 20 5 FFBDHN CCCN(CCN(CC)CC)S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC001189039753 1006864709 /nfs/dbraw/zinc/86/47/09/1006864709.db2.gz DCMYYSTWSSCTSE-UHFFFAOYSA-N 0 3 371.503 2.954 20 5 FFBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000855899891 1007631418 /nfs/dbraw/zinc/63/14/18/1007631418.db2.gz WZZRKUCAYHXHBG-CYBMUJFWSA-N 0 3 366.437 2.650 20 5 FFBDHN CCC1(N2CCOCC2)CCN(c2cc(OC)c(C)cc2[N+](=O)[O-])CC1 ZINC000858823201 1008430829 /nfs/dbraw/zinc/43/08/29/1008430829.db2.gz OMNIQWOSUCQRLI-UHFFFAOYSA-N 0 3 363.458 2.993 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886617309 1008774170 /nfs/dbraw/zinc/77/41/70/1008774170.db2.gz KIWVXEGMVAUAQL-XEZPLFJOSA-N 0 3 374.359 2.999 20 5 FFBDHN CN1CCN(CCCO[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC001206595343 1032359352 /nfs/dbraw/zinc/35/93/52/1032359352.db2.gz FBNAQFYNARQWEJ-HNNXBMFYSA-N 0 3 361.364 2.852 20 5 FFBDHN C[C@H](NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC000823961483 1009280819 /nfs/dbraw/zinc/28/08/19/1009280819.db2.gz FTHRGXAKNAXKCE-SJCJKPOMSA-N 0 3 357.414 2.990 20 5 FFBDHN C[C@H]1Cc2cc(CN3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)ccc2O1 ZINC001179937398 1009498851 /nfs/dbraw/zinc/49/88/51/1009498851.db2.gz LWLWOWHNJGRQDE-XJKSGUPXSA-N 0 3 354.410 3.000 20 5 FFBDHN CCN1CC[C@H]2OCCN(C(=O)c3cc([N+](=O)[O-])cc4ccccc43)[C@H]2C1 ZINC000861832621 1009577433 /nfs/dbraw/zinc/57/74/33/1009577433.db2.gz JMJJBLYQLXZTAW-RBUKOAKNSA-N 0 3 369.421 2.683 20 5 FFBDHN CN(CCN1CC2(C1)CCOCC2)c1nccc2cc([N+](=O)[O-])ccc21 ZINC000866257673 1010963868 /nfs/dbraw/zinc/96/38/68/1010963868.db2.gz GTWMCFVCBMEBMC-UHFFFAOYSA-N 0 3 356.426 2.692 20 5 FFBDHN O=C1NCCN1Cc1ccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000866577430 1011019355 /nfs/dbraw/zinc/01/93/55/1011019355.db2.gz OOHKYNHCUCJVMM-SFHVURJKSA-N 0 3 366.421 2.897 20 5 FFBDHN CCOC(=O)c1c(CN)ncn1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172896907 1012073416 /nfs/dbraw/zinc/07/34/16/1012073416.db2.gz UERFDBOUMYVWBZ-AWEZNQCLSA-N 0 3 358.398 2.547 20 5 FFBDHN O=C1NCc2ccccc2[C@H]1N[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912750 1012124983 /nfs/dbraw/zinc/12/49/83/1012124983.db2.gz OZFMVFZKWMMNLV-VQIMIIECSA-N 0 3 351.406 2.803 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCN3CCCC[C@@H]3C2)c1F ZINC001173189895 1012332697 /nfs/dbraw/zinc/33/26/97/1012332697.db2.gz OIEMHPVDASRDTC-UONOGXRCSA-N 0 3 351.422 2.844 20 5 FFBDHN COc1ccnc(OC2CCN([C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001173237773 1012385665 /nfs/dbraw/zinc/38/56/65/1012385665.db2.gz MIPOFJFFKKMJNN-CQSZACIVSA-N 0 3 372.425 2.868 20 5 FFBDHN CC([C@@H](OC(=O)c1cccn(C2CC2)c1=O)c1ccccc1F)[N+](=O)[O-] ZINC000870453973 1012387212 /nfs/dbraw/zinc/38/72/12/1012387212.db2.gz HBKRBDHBVXDENE-BDJLRTHQSA-N 0 3 360.341 2.886 20 5 FFBDHN COc1ccc(CN(C)C)cc1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801816639 1019412728 /nfs/dbraw/zinc/41/27/28/1019412728.db2.gz RKPFNFOFOJSHQF-UHFFFAOYSA-N 0 3 362.361 2.639 20 5 FFBDHN O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCN(C2CC2)CC1 ZINC000801873468 1019470716 /nfs/dbraw/zinc/47/07/16/1019470716.db2.gz SWDDQVYLGWCQGY-UHFFFAOYSA-N 0 3 372.381 2.562 20 5 FFBDHN O=C1CN(CN2CCC[C@H]2C2CCCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000726587525 1020490402 /nfs/dbraw/zinc/49/04/02/1020490402.db2.gz SGEOECGKAWNWOF-KRWDZBQOSA-N 0 3 372.425 2.976 20 5 FFBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@H](CO)c2ccccc2C(F)(F)F)cc1 ZINC000933241345 1020983282 /nfs/dbraw/zinc/98/32/82/1020983282.db2.gz KRAQNBJWGNIDHV-HZPDHXFCSA-N 0 3 370.327 2.970 20 5 FFBDHN COc1cc(O[C@@H]2C[NH2+]CC[C@H]2C)c2c(c1)oc1c([O-])ccc(O)c1c2=O ZINC001218042770 1032967036 /nfs/dbraw/zinc/96/70/36/1032967036.db2.gz DVUIMVUKRQBMKQ-QLJPJBMISA-N 0 3 371.389 2.743 20 5 FFBDHN CCN1CCCC[C@@H]1CNc1c(C(=O)OC)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000750171471 1021466910 /nfs/dbraw/zinc/46/69/10/1021466910.db2.gz KTDXEWYUAQPKRX-LLVKDONJSA-N 0 3 366.374 2.576 20 5 FFBDHN O=C1NCCC12CCN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CC2 ZINC001119324392 1022685572 /nfs/dbraw/zinc/68/55/72/1022685572.db2.gz VJFILXAKXZWSHD-UHFFFAOYSA-N 0 3 357.332 2.716 20 5 FFBDHN O=C1NC2(CO1)CCN(Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000753586248 1023356151 /nfs/dbraw/zinc/35/61/51/1023356151.db2.gz GMDOEFDEHZJMFF-UHFFFAOYSA-N 0 3 357.366 2.929 20 5 FFBDHN COc1ccc(NC(=O)NC[C@@H]2N(C)CCCC2(C)C)c([N+](=O)[O-])c1 ZINC001123372155 1023765567 /nfs/dbraw/zinc/76/55/67/1023765567.db2.gz LYOJOGZQQIAYLC-HNNXBMFYSA-N 0 3 350.419 2.845 20 5 FFBDHN CN(CCCN(C)Cn1ncc2cc([N+](=O)[O-])ccc21)Cc1ccco1 ZINC000795750277 1028068917 /nfs/dbraw/zinc/06/89/17/1028068917.db2.gz BLLSGRXTQBUQDU-UHFFFAOYSA-N 0 3 357.414 2.949 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000782093169 1029565916 /nfs/dbraw/zinc/56/59/16/1029565916.db2.gz YUBOSNRILHYYJJ-JKSUJKDBSA-N 0 3 370.327 2.970 20 5 FFBDHN C[C@@H]1CN(CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)[C@H]2CCCC[C@@H]12 ZINC000782277747 1029637819 /nfs/dbraw/zinc/63/78/19/1029637819.db2.gz RUVBNDZSKGNWKI-COXVUDFISA-N 0 3 372.425 2.831 20 5 FFBDHN COC(=O)[C@@]1(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCOC1 ZINC001204102376 1031101439 /nfs/dbraw/zinc/10/14/39/1031101439.db2.gz BIWVVJFJQVHNRH-GOSISDBHSA-N 0 3 360.366 2.524 20 5 FFBDHN CN1CCC[C@@H](Oc2ccccc2C(=O)Nc2ncc([N+](=O)[O-])s2)C1 ZINC001227514916 1035593575 /nfs/dbraw/zinc/59/35/75/1035593575.db2.gz DWCQRYBHSFUWSO-LLVKDONJSA-N 0 3 362.411 2.777 20 5 FFBDHN CCOc1cc(NC(=O)N(C)CCN2CCCCC2)ccc1[N+](=O)[O-] ZINC001207137609 1037182627 /nfs/dbraw/zinc/18/26/27/1037182627.db2.gz HMCLLGSITPDAJP-UHFFFAOYSA-N 0 3 350.419 2.943 20 5 FFBDHN CCOC(=O)C1(N[C@H](C)Cc2ccccc2[N+](=O)[O-])CCN(CC)CC1 ZINC001254549680 1040793108 /nfs/dbraw/zinc/79/31/08/1040793108.db2.gz XACONDCGOSPONJ-OAHLLOKOSA-N 0 3 363.458 2.533 20 5 FFBDHN COc1cccc(O[C@H]2CCN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)n1 ZINC001254610258 1040838870 /nfs/dbraw/zinc/83/88/70/1040838870.db2.gz ISCXLIFGQDZQNH-IRXDYDNUSA-N 0 3 355.394 2.619 20 5 FFBDHN COc1cccc(O[C@@H]2CCN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)n1 ZINC001254610254 1040839005 /nfs/dbraw/zinc/83/90/05/1040839005.db2.gz ISCXLIFGQDZQNH-DLBZAZTESA-N 0 3 355.394 2.619 20 5 FFBDHN Cc1nccnc1O[C@H]1CCCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254611798 1040841263 /nfs/dbraw/zinc/84/12/63/1040841263.db2.gz TUQCUNWPNNYOSK-MSOLQXFVSA-N 0 3 354.410 2.704 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC(C)(C)NC(C)(C)C2)c1 ZINC001309959144 1043610115 /nfs/dbraw/zinc/61/01/15/1043610115.db2.gz FPLTYFAUCPCJNB-UHFFFAOYSA-N 0 3 369.487 2.753 20 5 FFBDHN Cc1cc([C@H](N)CC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc(Cl)n1 ZINC001326059957 1046748398 /nfs/dbraw/zinc/74/83/98/1046748398.db2.gz GCXGXQXHASVLTB-MRXNPFEDSA-N 0 3 374.828 2.926 20 5 FFBDHN O=C(c1cccc2c1OCCNC2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001342015078 1050612663 /nfs/dbraw/zinc/61/26/63/1050612663.db2.gz MODFQKIPDOXOLL-UHFFFAOYSA-N 0 3 367.405 2.882 20 5 FFBDHN O=C(Nc1ccc2c(c1)OCCNC2)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001340843123 1051181382 /nfs/dbraw/zinc/18/13/82/1051181382.db2.gz JZXXIHOMWQPNJS-IAGOWNOFSA-N 0 3 353.378 2.819 20 5 FFBDHN CCN1C[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001304041468 1051511469 /nfs/dbraw/zinc/51/14/69/1051511469.db2.gz NFIGREHJGDXRIP-QGZVFWFLSA-N 0 3 360.458 2.655 20 5 FFBDHN CN(CCN1CCCCC1)c1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001307150196 1052259206 /nfs/dbraw/zinc/25/92/06/1052259206.db2.gz VHYUYRHXYMHJOY-UHFFFAOYSA-N 0 3 359.386 2.973 20 5 FFBDHN CCC1(C)CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001307442172 1052307319 /nfs/dbraw/zinc/30/73/19/1052307319.db2.gz IGEDTUIYMMQODR-UHFFFAOYSA-N 0 3 374.485 2.756 20 5 FFBDHN COc1ccc([C@H]2CN(CCOc3cccc([N+](=O)[O-])c3)CCN2)cc1 ZINC001308012326 1052383393 /nfs/dbraw/zinc/38/33/93/1052383393.db2.gz AYVOZBMTFUPIEG-LJQANCHMSA-N 0 3 357.410 2.629 20 5 FFBDHN COc1cc(C[NH2+]C[C@H](C)CNC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1[O-] ZINC001308341718 1052448135 /nfs/dbraw/zinc/44/81/35/1052448135.db2.gz DRCDMQITIJKGHH-NSHDSACASA-N 0 3 369.418 2.559 20 5 FFBDHN Cc1ccc(S(=O)(=O)N[C@H](C)CN2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC001309282176 1052591136 /nfs/dbraw/zinc/59/11/36/1052591136.db2.gz GNOFPCSTKQAUKZ-VNHYZAJKSA-N 0 3 369.487 2.548 20 5 FFBDHN CC(COC(=O)C1(C2CCN(C(=O)OC(C)(C)C)CC2)CC1)[N+](=O)[O-] ZINC001346124580 1052759479 /nfs/dbraw/zinc/75/94/79/1052759479.db2.gz WZIHNKUAWHBOEA-GFCCVEGCSA-N 0 3 356.419 2.622 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2C[C@H]2Cc2ccccc2)cc1 ZINC001335396903 1053335777 /nfs/dbraw/zinc/33/57/77/1053335777.db2.gz LAWOKYFTHTZWHB-CRAIPNDOSA-N 0 3 360.435 2.589 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1ccncc1C(F)(F)F ZINC001335447709 1053369045 /nfs/dbraw/zinc/36/90/45/1053369045.db2.gz IUIZAKXNCSWLGC-LBPRGKRZSA-N 0 3 371.315 2.538 20 5 FFBDHN CN1CC[C@@H]2CN(C(=O)c3cc(F)c(Cl)c([N+](=O)[O-])c3Cl)C[C@@H]21 ZINC001338572675 1055633515 /nfs/dbraw/zinc/63/35/15/1055633515.db2.gz HMUXQLLGCTZIRP-XCBNKYQSSA-N 0 3 362.188 2.817 20 5 FFBDHN CC(COC(=O)c1nn(-c2ccccc2F)cc1Br)[N+](=O)[O-] ZINC001518342520 1058349308 /nfs/dbraw/zinc/34/93/08/1058349308.db2.gz SVSFLSAMECAFAJ-QMMMGPOBSA-N 0 3 372.150 2.596 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)n1 ZINC001518643018 1058449612 /nfs/dbraw/zinc/44/96/12/1058449612.db2.gz PFGIARDXZYANQE-GDBMZVCRSA-N 0 3 354.410 2.864 20 5 FFBDHN COC1CCC(N(C)CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000848479089 1060107295 /nfs/dbraw/zinc/10/72/95/1060107295.db2.gz QMNWNJUTCUVSSQ-VJFUWPCTSA-N 0 3 361.442 2.758 20 5 FFBDHN CCC(C)(C)N1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2CC(C)C)CC1 ZINC001517390502 1060479851 /nfs/dbraw/zinc/47/98/51/1060479851.db2.gz WADANHVKXDTWPK-AWEZNQCLSA-N 0 3 352.483 2.582 20 5 FFBDHN COC(=O)C[C@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)C ZINC001460829332 1061119957 /nfs/dbraw/zinc/11/99/57/1061119957.db2.gz BWHHNEAWOYWLJZ-ZDUSSCGKSA-N 0 3 371.821 2.754 20 5 FFBDHN C[C@@]1(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CN2CCC1CC2 ZINC001461477288 1061328594 /nfs/dbraw/zinc/32/85/94/1061328594.db2.gz QMOMADYSFQZDBF-QGZVFWFLSA-N 0 3 367.833 2.618 20 5 FFBDHN Nc1c(Cl)cc(C(=O)NC[C@H]2CCCCN2C2CC2)cc1[N+](=O)[O-] ZINC001467805774 1063857954 /nfs/dbraw/zinc/85/79/54/1063857954.db2.gz RLIPGOSYKDVCSW-GFCCVEGCSA-N 0 3 352.822 2.577 20 5 FFBDHN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC001470779876 1064448459 /nfs/dbraw/zinc/44/84/59/1064448459.db2.gz JWCBVQSDJMIVMU-RHSMWYFYSA-N 0 3 356.426 2.574 20 5 FFBDHN COC(=O)c1cnc(N[C@@H]2CCN(Cc3cccc(C)c3)C2)c([N+](=O)[O-])c1 ZINC001472844319 1065155489 /nfs/dbraw/zinc/15/54/89/1065155489.db2.gz MOFVKUGGPPQJBB-MRXNPFEDSA-N 0 3 370.409 2.771 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C1CCCCC1)N(C)C ZINC001474825072 1065617853 /nfs/dbraw/zinc/61/78/53/1065617853.db2.gz OIGUFLGZVBKRPC-INIZCTEOSA-N 0 3 369.487 2.692 20 5 FFBDHN CCN1C[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C(C)(C)C1 ZINC001558528254 1076025650 /nfs/dbraw/zinc/02/56/50/1076025650.db2.gz UVPSSIYXAFJTLA-CYBMUJFWSA-N 0 3 370.247 2.817 20 5 FFBDHN CC(C)(C)N1CC[C@@H]1CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001559235059 1076137881 /nfs/dbraw/zinc/13/78/81/1076137881.db2.gz IUZFHAMITAWPIN-GFCCVEGCSA-N 0 3 359.386 2.758 20 5 FFBDHN O=[N+]([O-])c1cc(F)ccc1CN[C@@]1(CO)CCCN(Cc2ccccc2)C1 ZINC001560134395 1076232760 /nfs/dbraw/zinc/23/27/60/1076232760.db2.gz DNJYTZOIKIWMSD-FQEVSTJZSA-N 0 3 373.428 2.851 20 5 FFBDHN C[C@H](Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001589978708 1080917453 /nfs/dbraw/zinc/91/74/53/1080917453.db2.gz YMVNGWYYCRFTNL-STQMWFEESA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@H](Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001589978708 1080917457 /nfs/dbraw/zinc/91/74/57/1080917457.db2.gz YMVNGWYYCRFTNL-STQMWFEESA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@H](Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001589978708 1080917461 /nfs/dbraw/zinc/91/74/61/1080917461.db2.gz YMVNGWYYCRFTNL-STQMWFEESA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@H](Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001589978708 1080917466 /nfs/dbraw/zinc/91/74/66/1080917466.db2.gz YMVNGWYYCRFTNL-STQMWFEESA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@H](Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001589978707 1080917925 /nfs/dbraw/zinc/91/79/25/1080917925.db2.gz YMVNGWYYCRFTNL-QWHCGFSZSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@H](Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001589978707 1080917928 /nfs/dbraw/zinc/91/79/28/1080917928.db2.gz YMVNGWYYCRFTNL-QWHCGFSZSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@H](Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001589978707 1080917929 /nfs/dbraw/zinc/91/79/29/1080917929.db2.gz YMVNGWYYCRFTNL-QWHCGFSZSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@H](Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001589978707 1080917932 /nfs/dbraw/zinc/91/79/32/1080917932.db2.gz YMVNGWYYCRFTNL-QWHCGFSZSA-N 0 3 371.445 2.840 20 5 FFBDHN CCOC(=O)[C@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000026218841 249340939 /nfs/dbraw/zinc/34/09/39/249340939.db2.gz RNGDCILWTUHWSD-AWEZNQCLSA-N 0 3 363.414 2.507 20 5 FFBDHN Cn1cc(CN2CC[C@@H]3OCCC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093505010 250037027 /nfs/dbraw/zinc/03/70/27/250037027.db2.gz NEXZDZKYNBWMQE-QAPCUYQASA-N 0 3 356.426 2.996 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC(C4OCCO4)CC3)o2)c1 ZINC000104682525 250182284 /nfs/dbraw/zinc/18/22/84/250182284.db2.gz MKVPUOPQYLQSFM-UHFFFAOYSA-N 0 3 373.409 2.877 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CCN(C3CCCC3)C2)c1C ZINC000106891509 250296324 /nfs/dbraw/zinc/29/63/24/250296324.db2.gz KOOANLQVTZBLJU-CQSZACIVSA-N 0 3 367.471 2.507 20 5 FFBDHN C[C@@H]1SCCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000118419490 250385805 /nfs/dbraw/zinc/38/58/05/250385805.db2.gz BQEWRORZHSFFTD-RYUDHWBXSA-N 0 3 351.428 2.719 20 5 FFBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000181085993 251240862 /nfs/dbraw/zinc/24/08/62/251240862.db2.gz UPOVRTQZTBAWEP-OAHLLOKOSA-N 0 3 354.410 2.571 20 5 FFBDHN COC(=O)c1cc([N+](=O)[O-])c(N2CC[C@H]3CC[C@@H](C2)N3C)cc1Cl ZINC000268780623 251381108 /nfs/dbraw/zinc/38/11/08/251381108.db2.gz CDUYQXBCYSVWTL-MNOVXSKESA-N 0 3 353.806 2.708 20 5 FFBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000272425339 252036703 /nfs/dbraw/zinc/03/67/03/252036703.db2.gz CARKBRLVZRYJET-WBMJQRKESA-N 0 3 366.849 2.874 20 5 FFBDHN C[C@H]1CCCCN1CCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272527029 252060887 /nfs/dbraw/zinc/06/08/87/252060887.db2.gz MGGNGMVKISUEHY-MAUKXSAKSA-N 0 3 357.458 2.882 20 5 FFBDHN C[C@@H]1CCCN(CCN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272576458 252072272 /nfs/dbraw/zinc/07/22/72/252072272.db2.gz XGPLEQZJHZAMMJ-CRAIPNDOSA-N 0 3 357.458 2.739 20 5 FFBDHN CN1CC[C@@H]2CCN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272637980 252088077 /nfs/dbraw/zinc/08/80/77/252088077.db2.gz XXZFFXKZMQFLEP-AEFFLSMTSA-N 0 3 360.458 2.653 20 5 FFBDHN Cc1ccc(C)c(S(=O)(=O)N(C)[C@@H](C)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000276806879 256132754 /nfs/dbraw/zinc/13/27/54/256132754.db2.gz LOIYEBQUUHPUFP-AWEZNQCLSA-N 0 3 369.487 2.562 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000278062657 256272343 /nfs/dbraw/zinc/27/23/43/256272343.db2.gz UYFYUGWAWZGYAT-UHFFFAOYSA-N 0 3 371.437 2.816 20 5 FFBDHN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000286099887 257020273 /nfs/dbraw/zinc/02/02/73/257020273.db2.gz CXWJNQFIIJEOGL-UHFFFAOYSA-N 0 3 374.485 2.792 20 5 FFBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000286285106 257029276 /nfs/dbraw/zinc/02/92/76/257029276.db2.gz IJZDKMSTEYKOKN-CZUORRHYSA-N 0 3 358.442 2.550 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(CCCO)Cc1ccccn1 ZINC000287710734 257104129 /nfs/dbraw/zinc/10/41/29/257104129.db2.gz JPZGHPJWRJXJMJ-UHFFFAOYSA-N 0 3 372.425 2.511 20 5 FFBDHN COc1ccc(CNCCCn2cc(Br)cn2)cc1[N+](=O)[O-] ZINC000288394234 257183792 /nfs/dbraw/zinc/18/37/92/257183792.db2.gz HJQWQZJQLZRLNE-UHFFFAOYSA-N 0 3 369.219 2.742 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000296919190 257767242 /nfs/dbraw/zinc/76/72/42/257767242.db2.gz YZSDZZBEXVXTPQ-GOSISDBHSA-N 0 3 362.430 2.943 20 5 FFBDHN COC[C@H](NCCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC000299731373 258021063 /nfs/dbraw/zinc/02/10/63/258021063.db2.gz XDIFLJFKJYNRTA-KRWDZBQOSA-N 0 3 373.409 2.909 20 5 FFBDHN COc1ccc(NC(=O)CCN(Cc2cccnc2)C2CC2)c([N+](=O)[O-])c1 ZINC000299730506 258021405 /nfs/dbraw/zinc/02/14/05/258021405.db2.gz WSNLWVOZITUDBZ-UHFFFAOYSA-N 0 3 370.409 2.992 20 5 FFBDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000302394316 258100393 /nfs/dbraw/zinc/10/03/93/258100393.db2.gz CPJNGTFGCLDMFQ-LJQANCHMSA-N 0 3 359.401 2.807 20 5 FFBDHN Cc1nn(C)c(N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC000312058468 258115591 /nfs/dbraw/zinc/11/55/91/258115591.db2.gz GSQSCKPGJXWNCR-SJORKVTESA-N 0 3 355.442 2.595 20 5 FFBDHN Cc1cc(N2CCN(C[C@H]3CCOC3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000301993577 258081039 /nfs/dbraw/zinc/08/10/39/258081039.db2.gz GSARYYBPEBEWPZ-OAHLLOKOSA-N 0 3 356.426 2.610 20 5 FFBDHN C[C@H]1CN(CC2CCN(Cc3csc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000330427431 258163789 /nfs/dbraw/zinc/16/37/89/258163789.db2.gz KLCXZVCISANDLQ-KBPBESRZSA-N 0 3 353.488 2.978 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H]2CCCCN2C[C@@H]1C ZINC000331980682 258208694 /nfs/dbraw/zinc/20/86/94/258208694.db2.gz FHXJGHDTRNFKDV-RDJZCZTQSA-N 0 3 360.458 2.790 20 5 FFBDHN CCc1ccc(C(=O)N2C[C@@H](N3CCCC3)[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000332080887 258212943 /nfs/dbraw/zinc/21/29/43/258212943.db2.gz KRJNBONUVZTIQY-SJORKVTESA-N 0 3 363.483 2.809 20 5 FFBDHN CCN1CCC(N(C)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000332357878 258226949 /nfs/dbraw/zinc/22/69/49/258226949.db2.gz CGDJBKUAZJRPLV-UHFFFAOYSA-N 0 3 360.458 2.751 20 5 FFBDHN CC[N@H+](C)Cc1cccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000065970883 506403928 /nfs/dbraw/zinc/40/39/28/506403928.db2.gz PXPYAEJODQJXKP-UHFFFAOYSA-N 0 3 369.468 2.587 20 5 FFBDHN CC[N@@H+](C)Cc1cccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000065970883 506403948 /nfs/dbraw/zinc/40/39/48/506403948.db2.gz PXPYAEJODQJXKP-UHFFFAOYSA-N 0 3 369.468 2.587 20 5 FFBDHN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cccc(CN2CCCCC2)c1 ZINC000065780054 506364074 /nfs/dbraw/zinc/36/40/74/506364074.db2.gz HZCXQQCZANAADQ-UHFFFAOYSA-N 0 3 357.414 2.806 20 5 FFBDHN CN(C)Cc1cccc(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c1 ZINC000065843439 506378240 /nfs/dbraw/zinc/37/82/40/506378240.db2.gz JFMMRVSTQBFQDE-UHFFFAOYSA-N 0 3 366.421 2.928 20 5 FFBDHN CC(C)(CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCCCC1 ZINC000066041617 506414405 /nfs/dbraw/zinc/41/44/05/506414405.db2.gz HHZGLTWUUYDXOJ-UHFFFAOYSA-N 0 3 358.442 2.930 20 5 FFBDHN Cc1cc(C(=O)NCc2ccc(OCCN(C)C)cc2)ccc1[N+](=O)[O-] ZINC000053992180 506472474 /nfs/dbraw/zinc/47/24/74/506472474.db2.gz DPYCSSLRJMPDFO-UHFFFAOYSA-N 0 3 357.410 2.774 20 5 FFBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000054226573 506517385 /nfs/dbraw/zinc/51/73/85/506517385.db2.gz MRCQQNKSHFJBPX-RDJZCZTQSA-N 0 3 369.421 2.925 20 5 FFBDHN CN(C)CCOc1ccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000055446260 506753833 /nfs/dbraw/zinc/75/38/33/506753833.db2.gz WIENMUMTSINGTH-UHFFFAOYSA-N 0 3 373.409 2.943 20 5 FFBDHN CN(CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)Cc1ccccc1 ZINC000056191982 506958506 /nfs/dbraw/zinc/95/85/06/506958506.db2.gz ZLTTUZSIGFLMAD-UHFFFAOYSA-N 0 3 352.394 2.938 20 5 FFBDHN O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000046917771 507221659 /nfs/dbraw/zinc/22/16/59/507221659.db2.gz RMGNTCXIAFEMRS-LJQANCHMSA-N 0 3 369.421 2.927 20 5 FFBDHN O=C(NCC1CCN(Cc2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000023015719 507324481 /nfs/dbraw/zinc/32/44/81/507324481.db2.gz BHIYZGZRSWDMNX-UHFFFAOYSA-N 0 3 354.410 2.632 20 5 FFBDHN O=C(COc1ccccc1[N+](=O)[O-])NC[C@H](c1ccccc1)N1CCCC1 ZINC000023738354 507370560 /nfs/dbraw/zinc/37/05/60/507370560.db2.gz IBCWHDWPQHVFSS-GOSISDBHSA-N 0 3 369.421 2.927 20 5 FFBDHN CNc1ccc(C(=O)NCc2cccc(OCCN(C)C)c2)cc1[N+](=O)[O-] ZINC000047673094 507377269 /nfs/dbraw/zinc/37/72/69/507377269.db2.gz LQWJJKQTXWVWIT-UHFFFAOYSA-N 0 3 372.425 2.507 20 5 FFBDHN CC(C)C[C@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])N(C)C ZINC000064430275 507796041 /nfs/dbraw/zinc/79/60/41/507796041.db2.gz UQIYGMGOUWRIEE-OAHLLOKOSA-N 0 3 373.457 2.948 20 5 FFBDHN COc1ccc(C(=O)NCCN[C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000089514282 507844304 /nfs/dbraw/zinc/84/43/04/507844304.db2.gz HNWQYOYHNZFPED-AWEZNQCLSA-N 0 3 357.410 2.992 20 5 FFBDHN Cc1ccc(S(=O)(=O)[N-]CCC[NH+](C(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000072717087 507846237 /nfs/dbraw/zinc/84/62/37/507846237.db2.gz WRMPRBGCUYMQHR-UHFFFAOYSA-N 0 3 357.476 2.690 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000108305867 507885940 /nfs/dbraw/zinc/88/59/40/507885940.db2.gz IRJKUBKZTNWJIQ-FZMZJTMJSA-N 0 3 367.833 2.616 20 5 FFBDHN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCC[C@H](N2CCCC2)C1 ZINC000091453555 507986836 /nfs/dbraw/zinc/98/68/36/507986836.db2.gz OMOWVCRHOOMXOR-ZDUSSCGKSA-N 0 3 365.405 2.975 20 5 FFBDHN Cc1c(C(=O)NCC2(N3CCCCC3)CCOCC2)cccc1[N+](=O)[O-] ZINC000109980985 507999268 /nfs/dbraw/zinc/99/92/68/507999268.db2.gz KHUJPPZEFGMICO-UHFFFAOYSA-N 0 3 361.442 2.668 20 5 FFBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000080125658 508041382 /nfs/dbraw/zinc/04/13/82/508041382.db2.gz AFXCPYKLNZYVMH-LBPRGKRZSA-N 0 3 357.332 2.828 20 5 FFBDHN C[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)N(C)Cc1ccccc1 ZINC000110966869 508061295 /nfs/dbraw/zinc/06/12/95/508061295.db2.gz NMAQZJXQOOLGIK-CYBMUJFWSA-N 0 3 367.409 2.721 20 5 FFBDHN CC[C@@H](C)N(C)CCNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000112079815 508149533 /nfs/dbraw/zinc/14/95/33/508149533.db2.gz KACPCQVOPIFIFM-CYBMUJFWSA-N 0 3 359.430 2.702 20 5 FFBDHN CCc1ccc([C@@H]2C[C@@H](C)CCN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000076145404 508163471 /nfs/dbraw/zinc/16/34/71/508163471.db2.gz OGSLSUSBVGTMMU-QRTARXTBSA-N 0 3 362.430 2.781 20 5 FFBDHN CN(C)CCN(Cc1cccs1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000084250835 508271421 /nfs/dbraw/zinc/27/14/21/508271421.db2.gz ZIWFCEFIAZLIJQ-UHFFFAOYSA-N 0 3 363.439 2.626 20 5 FFBDHN CN(CCN1CCOCC1)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000114464417 508318124 /nfs/dbraw/zinc/31/81/24/508318124.db2.gz LZJRZZYVWBRRPV-UHFFFAOYSA-N 0 3 352.434 2.710 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN2Cc2ccccc2)c1 ZINC000114641563 508332842 /nfs/dbraw/zinc/33/28/42/508332842.db2.gz RGKXQMXLPAYCTA-MRXNPFEDSA-N 0 3 369.421 2.998 20 5 FFBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000152266438 508412082 /nfs/dbraw/zinc/41/20/82/508412082.db2.gz MQKWFKYRGDSULK-CQSZACIVSA-N 0 3 357.414 2.849 20 5 FFBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152266438 508412085 /nfs/dbraw/zinc/41/20/85/508412085.db2.gz MQKWFKYRGDSULK-CQSZACIVSA-N 0 3 357.414 2.849 20 5 FFBDHN Cc1cnn(-c2cc[nH+]cc2[N-]C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000156689118 508462362 /nfs/dbraw/zinc/46/23/62/508462362.db2.gz LZILGQZMIQXSPR-UHFFFAOYSA-N 0 3 368.309 2.644 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000134918844 508575126 /nfs/dbraw/zinc/57/51/26/508575126.db2.gz SPTFVWARVUCHDM-GDBMZVCRSA-N 0 3 369.421 2.996 20 5 FFBDHN CN(CCO)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000157754868 508607778 /nfs/dbraw/zinc/60/77/78/508607778.db2.gz JQLSWBSXOJCHBZ-UHFFFAOYSA-N 0 3 352.394 2.872 20 5 FFBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCN(C2CCCCC2)CC1 ZINC000137232013 508746078 /nfs/dbraw/zinc/74/60/78/508746078.db2.gz GQKHRGKXEWVVKP-UHFFFAOYSA-N 0 3 360.458 2.797 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CN1C1CC1 ZINC000123897668 508755067 /nfs/dbraw/zinc/75/50/67/508755067.db2.gz WUGIBFBYAQTXEI-CABZTGNLSA-N 0 3 368.231 2.712 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 ZINC000137455801 508756082 /nfs/dbraw/zinc/75/60/82/508756082.db2.gz WDRKRUHYXLLZEF-NVXWUHKLSA-N 0 3 369.421 2.753 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000137432896 508756112 /nfs/dbraw/zinc/75/61/12/508756112.db2.gz YEOILEHXMYXTIN-DOTOQJQBSA-N 0 3 368.437 2.786 20 5 FFBDHN Cc1ccc(CNc2ccc3oc(=O)n(CCN(C)C)c3c2)cc1[N+](=O)[O-] ZINC000124613530 508859239 /nfs/dbraw/zinc/85/92/39/508859239.db2.gz FCXOGNICMSUPDZ-UHFFFAOYSA-N 0 3 370.409 2.985 20 5 FFBDHN Cc1c(CC(=O)NC[C@@H](Cc2ccccc2)N(C)C)cccc1[N+](=O)[O-] ZINC000159936337 508914098 /nfs/dbraw/zinc/91/40/98/508914098.db2.gz CMQWXNPFZGORRN-GOSISDBHSA-N 0 3 355.438 2.735 20 5 FFBDHN O=C1CCCCN1C1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000120134504 508935595 /nfs/dbraw/zinc/93/55/95/508935595.db2.gz VXEMOZUDKIRVOR-UHFFFAOYSA-N 0 3 361.442 2.841 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000160237171 508958507 /nfs/dbraw/zinc/95/85/07/508958507.db2.gz BOIIIVQNUUNRFL-ZFWWWQNUSA-N 0 3 352.398 2.570 20 5 FFBDHN C[C@@H](N[C@H](C)C1CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000125468933 508987358 /nfs/dbraw/zinc/98/73/58/508987358.db2.gz LDVXVUCUERZHND-GHMZBOCLSA-N 0 3 355.822 2.980 20 5 FFBDHN COc1ccc(OCCNC(C)(C)C(=O)NCC(C)(C)C)c([N+](=O)[O-])c1 ZINC000155502664 509014284 /nfs/dbraw/zinc/01/42/84/509014284.db2.gz QJMGMMKMDSUXFF-UHFFFAOYSA-N 0 3 367.446 2.513 20 5 FFBDHN CC[NH+]1CCC(CC[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000120974538 509101089 /nfs/dbraw/zinc/10/10/89/509101089.db2.gz KAWDAZXKDBWSEA-UHFFFAOYSA-N 0 3 369.487 2.612 20 5 FFBDHN COC(=O)C1=NOC2(C1)CCN([C@@H](C)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC000161471728 509119506 /nfs/dbraw/zinc/11/95/06/509119506.db2.gz UDIQOVPGGOGOGR-ZDUSSCGKSA-N 0 3 361.398 2.748 20 5 FFBDHN COC(=O)C1=NOC2(C1)CCN([C@H](C)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC000161471652 509119698 /nfs/dbraw/zinc/11/96/98/509119698.db2.gz UDIQOVPGGOGOGR-CYBMUJFWSA-N 0 3 361.398 2.748 20 5 FFBDHN COc1cc(C(=O)N(CCN(C)C)Cc2ccc(C)o2)ccc1[N+](=O)[O-] ZINC000161503428 509122659 /nfs/dbraw/zinc/12/26/59/509122659.db2.gz QYRGXOJQNNWFQA-UHFFFAOYSA-N 0 3 361.398 2.709 20 5 FFBDHN CN(C)CCN(Cc1ccco1)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000162242763 509181565 /nfs/dbraw/zinc/18/15/65/509181565.db2.gz RUXOEBYFFMQFSN-UHFFFAOYSA-N 0 3 358.398 2.641 20 5 FFBDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191798512 509185990 /nfs/dbraw/zinc/18/59/90/509185990.db2.gz YMPHNSBPWMCEEM-UHFFFAOYSA-N 0 3 359.430 2.535 20 5 FFBDHN CN1CC[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccccc1 ZINC000248029574 509220981 /nfs/dbraw/zinc/22/09/81/509220981.db2.gz KAUABHDMDALFDP-FUHWJXTLSA-N 0 3 365.393 2.646 20 5 FFBDHN COc1ccc(NC(=O)CN[C@H](C)[C@H]2COc3ccccc32)c([N+](=O)[O-])c1 ZINC000185550193 509233059 /nfs/dbraw/zinc/23/30/59/509233059.db2.gz GNKOUZROTUGCLZ-IUODEOHRSA-N 0 3 371.393 2.696 20 5 FFBDHN CN1CCC[C@H](CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000182657034 509353421 /nfs/dbraw/zinc/35/34/21/509353421.db2.gz OCWWPFLZWSOYFX-LLVKDONJSA-N 0 3 357.863 2.798 20 5 FFBDHN C[C@H](CCN1CCN(C)CC1)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000185877444 509401226 /nfs/dbraw/zinc/40/12/26/509401226.db2.gz ZPDVFFDXYXLCLU-MRXNPFEDSA-N 0 3 372.469 2.970 20 5 FFBDHN C[C@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@@H](C)C1 ZINC000227840421 509414723 /nfs/dbraw/zinc/41/47/23/509414723.db2.gz OQDCHXWRUJVNLF-HUUCEWRRSA-N 0 3 371.441 2.631 20 5 FFBDHN CCC[C@H](N)c1cn(Cc2ccc(Br)cc2[N+](=O)[O-])nn1 ZINC000229958027 509431618 /nfs/dbraw/zinc/43/16/18/509431618.db2.gz CBDJSFMBKZOIJO-NSHDSACASA-N 0 3 354.208 2.797 20 5 FFBDHN Cc1c([C@H](C)NCCn2ccc([N+](=O)[O-])n2)cnn1-c1ccc(F)cc1 ZINC000182857209 509461531 /nfs/dbraw/zinc/46/15/31/509461531.db2.gz GEKYIDQYBABZBG-LBPRGKRZSA-N 0 3 358.377 2.775 20 5 FFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000173258683 509485660 /nfs/dbraw/zinc/48/56/60/509485660.db2.gz RKUJBHQCFCHVGZ-CABCVRRESA-N 0 3 369.487 2.562 20 5 FFBDHN C[C@H](NC[C@@H](O)CN1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000173315878 509527014 /nfs/dbraw/zinc/52/70/14/509527014.db2.gz ONUBAVLLWQOWCN-MGPUTAFESA-N 0 3 355.438 2.665 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248945917 509550524 /nfs/dbraw/zinc/55/05/24/509550524.db2.gz ZGWNKOIOHPAFKS-ACJLOTCBSA-N 0 3 354.410 2.549 20 5 FFBDHN C[C@H]1CN(CC(C)(C)O)CCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000189416151 509565344 /nfs/dbraw/zinc/56/53/44/509565344.db2.gz FCTIDOPFZZNQQM-AWEZNQCLSA-N 0 3 374.441 2.527 20 5 FFBDHN NC(=O)c1ccc(NC2CCN(CCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000192808894 509653561 /nfs/dbraw/zinc/65/35/61/509653561.db2.gz CIZGOYPZYIANKB-UHFFFAOYSA-N 0 3 368.437 2.813 20 5 FFBDHN Cn1cc(N2CCC[C@H](N[C@@H]3CCCc4ccc([N+](=O)[O-])cc43)C2)cn1 ZINC000192901005 509691923 /nfs/dbraw/zinc/69/19/23/509691923.db2.gz TXGMRZFXTDFOPP-HNAYVOBHSA-N 0 3 355.442 2.964 20 5 FFBDHN O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCCNCC1 ZINC000237873548 509759533 /nfs/dbraw/zinc/75/95/33/509759533.db2.gz ASGRTHZNSXTLLV-UHFFFAOYSA-N 0 3 354.410 2.642 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)N2C(C)C ZINC000173844014 509812116 /nfs/dbraw/zinc/81/21/16/509812116.db2.gz AUYWVCMDJLLMQA-CABCVRRESA-N 0 3 367.471 2.539 20 5 FFBDHN CCCCN1CCC(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1 ZINC000189901640 509819063 /nfs/dbraw/zinc/81/90/63/509819063.db2.gz DJPZPQVJSFAMJA-UHFFFAOYSA-N 0 3 369.487 2.754 20 5 FFBDHN CC(C)[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1Cl ZINC000183704241 509936557 /nfs/dbraw/zinc/93/65/57/509936557.db2.gz QCRHAQLZYWQWSZ-CZUORRHYSA-N 0 3 352.822 2.793 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000177207988 509937832 /nfs/dbraw/zinc/93/78/32/509937832.db2.gz NWMUOXNEWGHTPX-ZFWWWQNUSA-N 0 3 358.442 2.550 20 5 FFBDHN COc1ccc(NC(=O)CCN2CCC[C@H](c3cc[nH]n3)C2)c([N+](=O)[O-])c1 ZINC000193585088 509977705 /nfs/dbraw/zinc/97/77/05/509977705.db2.gz MOGOKJBQMNDMJE-ZDUSSCGKSA-N 0 3 373.413 2.535 20 5 FFBDHN CCN(CC)[C@@H](CNc1ncc(C(=O)OC)cc1[N+](=O)[O-])c1ccco1 ZINC000190170352 509983320 /nfs/dbraw/zinc/98/33/20/509983320.db2.gz BDKKXPLHOSMVFU-AWEZNQCLSA-N 0 3 362.386 2.864 20 5 FFBDHN Cc1c(C(=O)N(C)CC2(N(C)C)CCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000186990788 509991475 /nfs/dbraw/zinc/99/14/75/509991475.db2.gz PDYWSAVGXYBLSD-UHFFFAOYSA-N 0 3 364.402 2.676 20 5 FFBDHN O=[N+]([O-])c1cc(Br)ccc1NC[C@H](O)CN1CCCCC1 ZINC000171232644 510024660 /nfs/dbraw/zinc/02/46/60/510024660.db2.gz VCPRFDPZYQEERD-LBPRGKRZSA-N 0 3 358.236 2.616 20 5 FFBDHN C[C@@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)N1[C@H](C)CC[C@H]1C ZINC000171235674 510026581 /nfs/dbraw/zinc/02/65/81/510026581.db2.gz QMVYGVSLYOPTKB-OAGGEKHMSA-N 0 3 360.458 2.505 20 5 FFBDHN COC(=O)[C@@H](O)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000180670703 510046977 /nfs/dbraw/zinc/04/69/77/510046977.db2.gz CBRPZZDSDLFDJL-SFHVURJKSA-N 0 3 374.393 2.601 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCNC[C@@H]1c1cccc(F)c1 ZINC000261771077 510058592 /nfs/dbraw/zinc/05/85/92/510058592.db2.gz OSBWZFXJJWVNOX-GOSISDBHSA-N 0 3 372.400 2.627 20 5 FFBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000180716224 510069307 /nfs/dbraw/zinc/06/93/07/510069307.db2.gz INQSIQIMXYJBCZ-INIZCTEOSA-N 0 3 368.437 2.962 20 5 FFBDHN O=C(NCc1ccccc1[N+](=O)[O-])NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000194000653 510169352 /nfs/dbraw/zinc/16/93/52/510169352.db2.gz HMUZJVNRKHJTDO-QGZVFWFLSA-N 0 3 368.437 2.916 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H]2c2cccc(Cl)c2)c1 ZINC000174738459 510283498 /nfs/dbraw/zinc/28/34/98/510283498.db2.gz RYFKKCFKKGWBLO-JKSUJKDBSA-N 0 3 350.806 2.643 20 5 FFBDHN Cc1ccc([C@@H](O)CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)o1 ZINC000266096302 510406208 /nfs/dbraw/zinc/40/62/08/510406208.db2.gz ZPTSXKNQOGDVST-INIZCTEOSA-N 0 3 356.382 2.720 20 5 FFBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000246324620 510425934 /nfs/dbraw/zinc/42/59/34/510425934.db2.gz NEDLHSYWAYDNOL-CRAIPNDOSA-N 0 3 362.474 2.899 20 5 FFBDHN CC(C)[C@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)N1CCN(C)CC1 ZINC000266138480 510429148 /nfs/dbraw/zinc/42/91/48/510429148.db2.gz GGEYHUYOVVJFTC-SFHVURJKSA-N 0 3 357.458 2.827 20 5 FFBDHN C[C@H]1NCCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H]1C ZINC000262853255 510440613 /nfs/dbraw/zinc/44/06/13/510440613.db2.gz SOXIUGINGCRYAM-GHMZBOCLSA-N 0 3 374.363 2.624 20 5 FFBDHN COc1cccc(C(=O)N[C@H](C)CN(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000194828830 510548739 /nfs/dbraw/zinc/54/87/39/510548739.db2.gz LYSUGRZAOBOVFU-CQSZACIVSA-N 0 3 357.410 2.854 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC2(c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000266621819 510693108 /nfs/dbraw/zinc/69/31/08/510693108.db2.gz FWDZSSJSVJLTPH-LBPRGKRZSA-N 0 3 371.224 2.738 20 5 FFBDHN C[C@@H](NCc1cccc(C(=O)NCCN(C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178653527 510705646 /nfs/dbraw/zinc/70/56/46/510705646.db2.gz IWBMWWFDYQFFKM-OAHLLOKOSA-N 0 3 370.453 2.737 20 5 FFBDHN CCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1cc2ccccc2o1 ZINC000246850070 510709265 /nfs/dbraw/zinc/70/92/65/510709265.db2.gz ZTXWGCZHPKVOAW-CZUORRHYSA-N 0 3 358.398 2.982 20 5 FFBDHN COCCN1CCCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000270207543 510716282 /nfs/dbraw/zinc/71/62/82/510716282.db2.gz KWRHTRJYVOBELW-UHFFFAOYSA-N 0 3 371.441 2.519 20 5 FFBDHN O=[N+]([O-])c1cc(CN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c2c(c1)COCO2 ZINC000246909293 510739886 /nfs/dbraw/zinc/73/98/86/510739886.db2.gz RWUUKLLOYOKVMT-IFXJQAMLSA-N 0 3 373.453 2.910 20 5 FFBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000182075734 510743371 /nfs/dbraw/zinc/74/33/71/510743371.db2.gz YDVPZAWPWDUDRK-OAHLLOKOSA-N 0 3 357.410 2.610 20 5 FFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246929080 510751586 /nfs/dbraw/zinc/75/15/86/510751586.db2.gz HBMUIVKYJVSING-ZFWWWQNUSA-N 0 3 369.487 2.562 20 5 FFBDHN CN(C)CCN(Cc1ccco1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270356232 510774344 /nfs/dbraw/zinc/77/43/44/510774344.db2.gz ASGKGBIDYQXFSV-UHFFFAOYSA-N 0 3 360.414 2.504 20 5 FFBDHN CCc1nnc(C2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)[nH]1 ZINC000191692560 510788033 /nfs/dbraw/zinc/78/80/33/510788033.db2.gz CFFDFVKAOIOOKG-UHFFFAOYSA-N 0 3 373.413 2.521 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H](Nc3ccccc3)C2)c1 ZINC000247032423 510809690 /nfs/dbraw/zinc/80/96/90/510809690.db2.gz ZVUUJJYWPSQMHX-PKOBYXMFSA-N 0 3 371.437 2.911 20 5 FFBDHN CC(C)N(CCc1nccs1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182250119 510833839 /nfs/dbraw/zinc/83/38/39/510833839.db2.gz AQOMBOJFAPGEJB-AWEZNQCLSA-N 0 3 365.455 2.744 20 5 FFBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000247113463 510837396 /nfs/dbraw/zinc/83/73/96/510837396.db2.gz LRPCHFGOGCROIL-MAUKXSAKSA-N 0 3 360.458 2.730 20 5 FFBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000247267782 510854912 /nfs/dbraw/zinc/85/49/12/510854912.db2.gz FIQCKGSRMPODET-DVOMOZLQSA-N 0 3 351.472 2.874 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000361035448 510984112 /nfs/dbraw/zinc/98/41/12/510984112.db2.gz ZQBGNAVEJWZFSK-LIRRHRJNSA-N 0 3 368.437 2.939 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCC[C@@H]2CCCF)cc1 ZINC000282563768 511027935 /nfs/dbraw/zinc/02/79/35/511027935.db2.gz YIQGVFIWQGIOQC-CJNGLKHVSA-N 0 3 358.435 2.877 20 5 FFBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000294907171 511217065 /nfs/dbraw/zinc/21/70/65/511217065.db2.gz JZLLULLEYGOGHT-ZBFHGGJFSA-N 0 3 369.425 2.684 20 5 FFBDHN CS(=O)(=O)CC1CCC(NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000294914374 511220519 /nfs/dbraw/zinc/22/05/19/511220519.db2.gz WRYNIFUHWXXSBF-UHFFFAOYSA-N 0 3 360.863 2.941 20 5 FFBDHN COc1ccccc1COC[C@H](O)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271727459 511301628 /nfs/dbraw/zinc/30/16/28/511301628.db2.gz MIEPPAYUKWBYEN-GOEBONIOSA-N 0 3 360.410 2.832 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)c1 ZINC000291726407 511313234 /nfs/dbraw/zinc/31/32/34/511313234.db2.gz HXIJLSLYPDYSSF-KBXCAEBGSA-N 0 3 369.421 2.996 20 5 FFBDHN CCOC(=O)[C@H](C)[C@H](C)N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000283319752 511320410 /nfs/dbraw/zinc/32/04/10/511320410.db2.gz ZOIPDKNZJYOJNT-OUAUKWLOSA-N 0 3 371.821 2.753 20 5 FFBDHN CC[C@H](C)N1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000295285325 511348541 /nfs/dbraw/zinc/34/85/41/511348541.db2.gz BQGUPBMPQRIMOJ-LBPRGKRZSA-N 0 3 354.838 2.603 20 5 FFBDHN COC(=O)[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccc(O)cc1 ZINC000296119895 511625620 /nfs/dbraw/zinc/62/56/20/511625620.db2.gz SYSCMUZUEMLKKB-ZWKOTPCHSA-N 0 3 356.378 2.689 20 5 FFBDHN Cc1c(NC(=O)CCN(CCCO)Cc2ccccn2)cccc1[N+](=O)[O-] ZINC000281006865 511686499 /nfs/dbraw/zinc/68/64/99/511686499.db2.gz NCRMWIJUUZKKMM-UHFFFAOYSA-N 0 3 372.425 2.511 20 5 FFBDHN CN1CC[C@@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000284360812 511697044 /nfs/dbraw/zinc/69/70/44/511697044.db2.gz SVBKZABFYABFFC-VQIMIIECSA-N 0 3 354.410 2.568 20 5 FFBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000296450731 511747862 /nfs/dbraw/zinc/74/78/62/511747862.db2.gz IQIPVKGUXWYONM-KBXCAEBGSA-N 0 3 369.425 2.541 20 5 FFBDHN CN1CC[C@@H]2OCCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@@H]2C1 ZINC000284634918 511804418 /nfs/dbraw/zinc/80/44/18/511804418.db2.gz NNJKFACVQCNCDF-MJGOQNOKSA-N 0 3 357.410 2.760 20 5 FFBDHN NC(=O)c1ccc(CN2CCCC[C@@H]2[C@@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000364053269 511931800 /nfs/dbraw/zinc/93/18/00/511931800.db2.gz GRIDTLDJXYXCTE-MJGOQNOKSA-N 0 3 369.421 2.782 20 5 FFBDHN Cc1c(NC(=O)[C@H](C)N2C[C@H](N3CCCC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000375784131 512505540 /nfs/dbraw/zinc/50/55/40/512505540.db2.gz GTNLCDAHAVPPOF-CWRNSKLLSA-N 0 3 360.458 2.789 20 5 FFBDHN COC(=O)[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000374169574 512689608 /nfs/dbraw/zinc/68/96/08/512689608.db2.gz DEMGKYZKKXCPBN-IPMKNSEASA-N 0 3 370.405 2.517 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H](C)CN2CCC[C@H](C)C2)c1F ZINC000411606232 512715244 /nfs/dbraw/zinc/71/52/44/512715244.db2.gz QPIDEKGZICAASE-STQMWFEESA-N 0 3 367.421 2.522 20 5 FFBDHN C[C@@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000367927331 512727345 /nfs/dbraw/zinc/72/73/45/512727345.db2.gz PRDDMGXSZZHIPW-UKRRQHHQSA-N 0 3 352.866 2.710 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(c2cn[nH]c2)CC1 ZINC000376484148 512838476 /nfs/dbraw/zinc/83/84/76/512838476.db2.gz KWIFJVROMBYHID-UHFFFAOYSA-N 0 3 357.414 2.835 20 5 FFBDHN CC(C)(C)OC(=O)CC[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000412060132 512936894 /nfs/dbraw/zinc/93/68/94/512936894.db2.gz DZBYMHPXGHJUJK-AWEZNQCLSA-N 0 3 352.435 2.625 20 5 FFBDHN C[C@H]1C[C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000397976610 512951362 /nfs/dbraw/zinc/95/13/62/512951362.db2.gz KWJZIHPNMNUTDR-BBRMVZONSA-N 0 3 354.410 2.769 20 5 FFBDHN C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000408074910 512994989 /nfs/dbraw/zinc/99/49/89/512994989.db2.gz SHIWSFBZOPVKRP-FMKPAKJESA-N 0 3 367.471 2.621 20 5 FFBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000370588031 513006286 /nfs/dbraw/zinc/00/62/86/513006286.db2.gz KCAXEJVISHCLRE-MAUKXSAKSA-N 0 3 352.394 2.746 20 5 FFBDHN CC(C)c1ccc(C(=O)NC[C@@H](O)CN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000439500930 513128731 /nfs/dbraw/zinc/12/87/31/513128731.db2.gz CCZBMXTZFDWLRD-MRXNPFEDSA-N 0 3 363.458 2.541 20 5 FFBDHN CC(C)CN1CCCC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000439705435 513168634 /nfs/dbraw/zinc/16/86/34/513168634.db2.gz USHHIOYCLZAQPR-ZDUSSCGKSA-N 0 3 352.410 2.556 20 5 FFBDHN COc1cc(CN[C@@H]2C[C@@H]3OCCC[C@H]23)c([N+](=O)[O-])cc1OCC(F)F ZINC000439785342 513183386 /nfs/dbraw/zinc/18/33/86/513183386.db2.gz YMOTYUNHTPAWGQ-BZPMIXESSA-N 0 3 372.368 2.904 20 5 FFBDHN C[C@H](c1ccccc1)[C@@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450566526 513253546 /nfs/dbraw/zinc/25/35/46/513253546.db2.gz KXYFLUQDTWFPPN-HFTRVMKXSA-N 0 3 356.426 2.641 20 5 FFBDHN Cc1ccc(NC(=O)C(=O)Nc2ccc(CN(C)C)cc2)cc1[N+](=O)[O-] ZINC000446667881 513310163 /nfs/dbraw/zinc/31/01/63/513310163.db2.gz SYVDOLDSJWIYAC-UHFFFAOYSA-N 0 3 356.382 2.542 20 5 FFBDHN COc1ccc(OCCN[C@]2(CO)CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000440824222 513416686 /nfs/dbraw/zinc/41/66/86/513416686.db2.gz UFGBDRVOIMYVDN-FQEVSTJZSA-N 0 3 372.421 2.796 20 5 FFBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2cccnc2-n2cccn2)n1 ZINC000447550482 513505521 /nfs/dbraw/zinc/50/55/21/513505521.db2.gz NIICQJXXHWNNRD-CVEARBPZSA-N 0 3 367.413 2.646 20 5 FFBDHN CN(C)CCN(Cc1ccc(F)c(F)c1)c1ncc([N+](=O)[O-])cc1F ZINC000413199380 513514997 /nfs/dbraw/zinc/51/49/97/513514997.db2.gz UBBUIZWMTRFWSZ-UHFFFAOYSA-N 0 3 354.332 2.975 20 5 FFBDHN C[C@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)CC[C@H]1N1CCN(C)CC1 ZINC000413214014 513525065 /nfs/dbraw/zinc/52/50/65/513525065.db2.gz KSVBLHLCOYSMIT-HNAYVOBHSA-N 0 3 369.469 2.605 20 5 FFBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@]1(N(C)C)CCSC1 ZINC000447815771 513579993 /nfs/dbraw/zinc/57/99/93/513579993.db2.gz HJIFPEYAHILGHW-HNNXBMFYSA-N 0 3 373.862 2.884 20 5 FFBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@]1(N(C)C)CCSC1 ZINC000447815772 513580096 /nfs/dbraw/zinc/58/00/96/513580096.db2.gz HJIFPEYAHILGHW-OAHLLOKOSA-N 0 3 373.862 2.884 20 5 FFBDHN Cc1cc(OCC(=O)Nc2ccc(OCCN(C)C)cc2)ccc1[N+](=O)[O-] ZINC000430397540 513644939 /nfs/dbraw/zinc/64/49/39/513644939.db2.gz AXPWTAIHJIPCOO-UHFFFAOYSA-N 0 3 373.409 2.861 20 5 FFBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000448036421 513663088 /nfs/dbraw/zinc/66/30/88/513663088.db2.gz YAPMBEQFDOXGEE-QGZVFWFLSA-N 0 3 360.458 2.783 20 5 FFBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451339622 513687070 /nfs/dbraw/zinc/68/70/70/513687070.db2.gz ILTBNIWGSFOVTH-RNJTYBCJSA-N 0 3 361.442 2.937 20 5 FFBDHN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCC3(N(C)C)CC3)cc2[N+](=O)[O-])C1 ZINC000416292010 513692673 /nfs/dbraw/zinc/69/26/73/513692673.db2.gz PYPYUMKMIKPFGS-GJZGRUSLSA-N 0 3 374.485 2.901 20 5 FFBDHN Cc1c(NC(=O)[C@H](C)N2CCC[C@@H]2[C@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000451428945 513745999 /nfs/dbraw/zinc/74/59/99/513745999.db2.gz WVRSOEDPENAZCP-MJSCVDMRSA-N 0 3 361.442 2.856 20 5 FFBDHN Cc1cc(S(=O)(=O)N[C@H]2CCN(C3CCCC3)C2)c(C)cc1[N+](=O)[O-] ZINC000416395139 513750184 /nfs/dbraw/zinc/75/01/84/513750184.db2.gz YGENDATXTPHBQP-AWEZNQCLSA-N 0 3 367.471 2.507 20 5 FFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000416406203 513754928 /nfs/dbraw/zinc/75/49/28/513754928.db2.gz FCGKTBUNWDOOMI-HUUCEWRRSA-N 0 3 369.487 2.562 20 5 FFBDHN CC[C@@H](C)[C@H](N)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000442731569 513761623 /nfs/dbraw/zinc/76/16/23/513761623.db2.gz UVEUOEBMZUKONW-RNCFNFMXSA-N 0 3 362.352 2.515 20 5 FFBDHN COc1cc(C[NH2+]C[C@@H]2Cc3ccccc3N(C)C2)c([N+](=O)[O-])cc1[O-] ZINC000436379901 513840780 /nfs/dbraw/zinc/84/07/80/513840780.db2.gz SWWCNFLDDOZVTD-ZDUSSCGKSA-N 0 3 357.410 2.707 20 5 FFBDHN O=C(CN[C@H]([C@@H](CO)C1CC1)C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451612797 513865315 /nfs/dbraw/zinc/86/53/15/513865315.db2.gz QGNJNCDXVRDMRP-GUYCJALGSA-N 0 3 367.833 2.573 20 5 FFBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448780733 513895841 /nfs/dbraw/zinc/89/58/41/513895841.db2.gz KWJHYYACJWRNQQ-LSDHHAIUSA-N 0 3 361.442 2.794 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCN1C ZINC000431493219 513911311 /nfs/dbraw/zinc/91/13/11/513911311.db2.gz AYTZPEXLFDBALX-JOYOIKCWSA-N 0 3 356.220 2.570 20 5 FFBDHN COc1cccc(N2C[C@@H](N[C@@H](C)Cc3ccccc3[N+](=O)[O-])CC2=O)c1 ZINC000449110259 514075400 /nfs/dbraw/zinc/07/54/00/514075400.db2.gz BRRWLFVNNSTCAO-HOCLYGCPSA-N 0 3 369.421 2.930 20 5 FFBDHN COc1ccccc1N1CC[C@@H](N[C@H](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000449191976 514106467 /nfs/dbraw/zinc/10/64/67/514106467.db2.gz PXXGZWLSIOAHII-GDBMZVCRSA-N 0 3 369.421 2.930 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(c2nnc3n2CCNC3)CC1 ZINC000420360477 514110964 /nfs/dbraw/zinc/11/09/64/514110964.db2.gz WSZSKMDNGOVESR-AWEZNQCLSA-N 0 3 370.457 2.539 20 5 FFBDHN Cc1c(NC(=O)CCN2CCNC[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000420402723 514133744 /nfs/dbraw/zinc/13/37/44/514133744.db2.gz KJRGSDPZZMUPPS-LJQANCHMSA-N 0 3 368.437 2.878 20 5 FFBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCC(=O)N[C@@H]1CCOc2ccccc21 ZINC000449305982 514156972 /nfs/dbraw/zinc/15/69/72/514156972.db2.gz JBECIFXDKQIJDN-WMLDXEAASA-N 0 3 369.421 2.755 20 5 FFBDHN COc1cnccc1N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000432412996 514187808 /nfs/dbraw/zinc/18/78/08/514187808.db2.gz DXNZBASERIWKLX-UHFFFAOYSA-N 0 3 371.397 2.661 20 5 FFBDHN CN(C[C@H]1CCN(Cc2ccccc2)C1)c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420601474 514196950 /nfs/dbraw/zinc/19/69/50/514196950.db2.gz NMMWGPSMGAJJLA-MRXNPFEDSA-N 0 3 368.437 2.652 20 5 FFBDHN COC[C@]1(C(=O)OC)CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000449456801 514219030 /nfs/dbraw/zinc/21/90/30/514219030.db2.gz SRWVVRBSSYIZFE-IBGZPJMESA-N 0 3 374.393 2.866 20 5 FFBDHN COc1cc(CN[C@@H](C(C)C)[C@@H](CO)C(C)C)c([N+](=O)[O-])cc1OC ZINC000449515517 514234889 /nfs/dbraw/zinc/23/48/89/514234889.db2.gz ZVFRAPRTQRMDEH-KSSFIOAISA-N 0 3 354.447 2.991 20 5 FFBDHN CC(C)(C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)[C@H](N)c1ccccc1 ZINC000423825902 514249250 /nfs/dbraw/zinc/24/92/50/514249250.db2.gz LIGXHPWQAVGARX-QGZVFWFLSA-N 0 3 354.410 2.601 20 5 FFBDHN CCc1ccc(C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000424036889 514351491 /nfs/dbraw/zinc/35/14/91/514351491.db2.gz IAJQWAIMUCIDSM-DOTOQJQBSA-N 0 3 357.385 2.863 20 5 FFBDHN CC(C)(CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCCCC1 ZINC000444891585 514362536 /nfs/dbraw/zinc/36/25/36/514362536.db2.gz XCQIWFCJOGKWNU-UHFFFAOYSA-N 0 3 374.445 2.535 20 5 FFBDHN COCCO[C@@H]1COCC[C@H]1N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433062367 514367848 /nfs/dbraw/zinc/36/78/48/514367848.db2.gz OHZXBHTXGDBUMO-KZNAEPCWSA-N 0 3 364.442 2.727 20 5 FFBDHN CN1C(=O)CC[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1=O ZINC000424205962 514415800 /nfs/dbraw/zinc/41/58/00/514415800.db2.gz NOIVYPQKEBXCMU-ZDUSSCGKSA-N 0 3 359.407 2.560 20 5 FFBDHN COc1cc(C(=O)NC[C@@H]2CCCCN2CC(C)C)c([N+](=O)[O-])cc1F ZINC000450192874 514533105 /nfs/dbraw/zinc/53/31/05/514533105.db2.gz LKGRTLUGCTYTNU-ZDUSSCGKSA-N 0 3 367.421 2.983 20 5 FFBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000479474418 514597787 /nfs/dbraw/zinc/59/77/87/514597787.db2.gz MRHXDBOZYWXODI-ZDUSSCGKSA-N 0 3 351.472 2.876 20 5 FFBDHN COc1c(C(=O)N(CCN(C)C)Cc2ccc(C)o2)cccc1[N+](=O)[O-] ZINC000475313926 514613609 /nfs/dbraw/zinc/61/36/09/514613609.db2.gz QNYHKPHQDLLYEU-UHFFFAOYSA-N 0 3 361.398 2.709 20 5 FFBDHN Cc1nc(NCc2ccc(OCCN3CCCC3)cc2)ccc1[N+](=O)[O-] ZINC000471043641 514731577 /nfs/dbraw/zinc/73/15/77/514731577.db2.gz HCKRFBXDQKKLBR-UHFFFAOYSA-N 0 3 356.426 2.807 20 5 FFBDHN C[C@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCCC[C@@H]1C ZINC000479858258 514747682 /nfs/dbraw/zinc/74/76/82/514747682.db2.gz AUXVGQIPCCVPKS-LSDHHAIUSA-N 0 3 371.441 2.773 20 5 FFBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000508342020 514748931 /nfs/dbraw/zinc/74/89/31/514748931.db2.gz JTCSABFOQZVDNW-KGLIPLIRSA-N 0 3 351.472 2.924 20 5 FFBDHN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000503473111 515046234 /nfs/dbraw/zinc/04/62/34/515046234.db2.gz VNWNNCDGJIZKFD-HNNXBMFYSA-N 0 3 372.425 2.755 20 5 FFBDHN CCN1CCC[C@H](Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000462496889 515086927 /nfs/dbraw/zinc/08/69/27/515086927.db2.gz WVHFWJRSFKILIJ-INIZCTEOSA-N 0 3 356.426 2.887 20 5 FFBDHN CCN1CCN(c2ccc(CN[C@@H](C)c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000467840732 515143405 /nfs/dbraw/zinc/14/34/05/515143405.db2.gz WOLKFYHFNDLPMO-INIZCTEOSA-N 0 3 369.469 2.983 20 5 FFBDHN COc1c(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000477128428 515340855 /nfs/dbraw/zinc/34/08/55/515340855.db2.gz PYVMFWVUMMGMFQ-MRXNPFEDSA-N 0 3 369.421 2.855 20 5 FFBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000486235947 515393184 /nfs/dbraw/zinc/39/31/84/515393184.db2.gz SEFJQGQUCHJCNW-RYUDHWBXSA-N 0 3 355.385 2.795 20 5 FFBDHN CC[C@H]1CCCCN1CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000499713064 515423623 /nfs/dbraw/zinc/42/36/23/515423623.db2.gz NFAFDRQMNGXHMR-HNNXBMFYSA-N 0 3 371.441 2.775 20 5 FFBDHN CN1C[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000481757050 515453441 /nfs/dbraw/zinc/45/34/41/515453441.db2.gz WQJCCCYRSJYVQQ-SJORKVTESA-N 0 3 369.421 2.578 20 5 FFBDHN CN(C(C)(C)CN1CCCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000491833169 515472416 /nfs/dbraw/zinc/47/24/16/515472416.db2.gz UXVXGAVLBLCQOL-UHFFFAOYSA-N 0 3 369.487 2.870 20 5 FFBDHN COCCN1CC[C@@H](N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000492146113 515505984 /nfs/dbraw/zinc/50/59/84/515505984.db2.gz YCINQAZKALPDKW-UYAOXDASSA-N 0 3 355.438 2.995 20 5 FFBDHN CC(C)(CN1CCCC1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000457041287 515601583 /nfs/dbraw/zinc/60/15/83/515601583.db2.gz GMBFLXPDRGUBLO-UHFFFAOYSA-N 0 3 370.247 2.962 20 5 FFBDHN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCCN3CCCC3)cc2[N+](=O)[O-])C1 ZINC000500269550 515651037 /nfs/dbraw/zinc/65/10/37/515651037.db2.gz ZSNLNRSXTVVPDK-HZPDHXFCSA-N 0 3 374.485 2.903 20 5 FFBDHN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCCN3CCCC3)cc2[N+](=O)[O-])C1 ZINC000500269549 515651269 /nfs/dbraw/zinc/65/12/69/515651269.db2.gz ZSNLNRSXTVVPDK-HOTGVXAUSA-N 0 3 374.485 2.903 20 5 FFBDHN COc1cccc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000494036219 515716141 /nfs/dbraw/zinc/71/61/41/515716141.db2.gz DEZNCQOWQQNQJD-PBHICJAKSA-N 0 3 369.421 2.996 20 5 FFBDHN Cc1ccc(C)c(S(=O)(=O)NCCCN2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000478169055 515723631 /nfs/dbraw/zinc/72/36/31/515723631.db2.gz KZVMPHQGAJWGMJ-HNNXBMFYSA-N 0 3 369.487 2.754 20 5 FFBDHN C[C@@H](N[C@H]1CCN(C(=O)COc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000510994297 515739028 /nfs/dbraw/zinc/73/90/28/515739028.db2.gz GGYAHZZZKZPPIV-WBVHZDCISA-N 0 3 369.421 2.925 20 5 FFBDHN COc1cc(CNC[C@]2(C)CCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494696384 515930908 /nfs/dbraw/zinc/93/09/08/515930908.db2.gz HPYPQJGNYKIVDF-INIZCTEOSA-N 0 3 360.357 2.764 20 5 FFBDHN COC(=O)COc1ccc(CNCc2cccc(N(C)C)c2)cc1[N+](=O)[O-] ZINC000474363478 516011519 /nfs/dbraw/zinc/01/15/19/516011519.db2.gz VBHUKXKZHBIGAH-UHFFFAOYSA-N 0 3 373.409 2.502 20 5 FFBDHN C[C@@H](c1ccccc1)N1CC[C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000507003299 516050168 /nfs/dbraw/zinc/05/01/68/516050168.db2.gz VRQGWRJIGPKUSX-BBRMVZONSA-N 0 3 354.410 2.941 20 5 FFBDHN COCCN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCC[C@H]1C ZINC000488075547 516107790 /nfs/dbraw/zinc/10/77/90/516107790.db2.gz ORWNDZLMNVGGEE-PBHICJAKSA-N 0 3 361.442 2.621 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H]1C[C@@](C)(OC)C1(C)C ZINC000465402475 516143205 /nfs/dbraw/zinc/14/32/05/516143205.db2.gz HRYMPWOIHCOVKP-GEWABHDNSA-N 0 3 365.430 2.724 20 5 FFBDHN CCCCN1CCCC[C@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000488493296 516239523 /nfs/dbraw/zinc/23/95/23/516239523.db2.gz KZIGGQQFICQZIE-AWEZNQCLSA-N 0 3 363.414 2.708 20 5 FFBDHN Cc1c(Br)c(N2CC[C@@]3(CCN(C)C3)C2)ncc1[N+](=O)[O-] ZINC000488743164 516299247 /nfs/dbraw/zinc/29/92/47/516299247.db2.gz HBSUGVKZJBJVTJ-CQSZACIVSA-N 0 3 355.236 2.593 20 5 FFBDHN Cc1cc(CN(C)C)cc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c1 ZINC000535418471 516344925 /nfs/dbraw/zinc/34/49/25/516344925.db2.gz GNUNPDYIXFVZSJ-UHFFFAOYSA-N 0 3 371.393 2.988 20 5 FFBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000531222432 516355751 /nfs/dbraw/zinc/35/57/51/516355751.db2.gz BNCWYFZCTOEZMB-UHFFFAOYSA-N 0 3 356.426 2.670 20 5 FFBDHN O=[N+]([O-])c1cccc(N2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)c1 ZINC000550681064 516382697 /nfs/dbraw/zinc/38/26/97/516382697.db2.gz SUXVUJODGMNSLV-NRFANRHFSA-N 0 3 366.465 2.991 20 5 FFBDHN CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NCc2cccc([N+](=O)[O-])c2)s1 ZINC000513074482 516462563 /nfs/dbraw/zinc/46/25/63/516462563.db2.gz HHIDDVNAGSHFIV-WDEREUQCSA-N 0 3 363.443 2.762 20 5 FFBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@@H](C)C1 ZINC000558027890 516558560 /nfs/dbraw/zinc/55/85/60/516558560.db2.gz XFFMFBWSWPJWAP-DOXZYTNZSA-N 0 3 370.453 2.738 20 5 FFBDHN CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)N1CCc2ccccc2C1 ZINC000531624601 516560572 /nfs/dbraw/zinc/56/05/72/516560572.db2.gz XMSJWCZYYQTXFE-LJQANCHMSA-N 0 3 368.437 2.803 20 5 FFBDHN C[C@@]1(c2ccccc2)CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000544144004 516612801 /nfs/dbraw/zinc/61/28/01/516612801.db2.gz MEFUQULTKIVYCV-FXAWDEMLSA-N 0 3 356.422 2.998 20 5 FFBDHN CN(CCNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000561506421 516622677 /nfs/dbraw/zinc/62/26/77/516622677.db2.gz XMGJQUFSIWOBGY-UHFFFAOYSA-N 0 3 370.453 2.911 20 5 FFBDHN CN(CCN1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)Cc1ccccc1 ZINC000513451072 516628792 /nfs/dbraw/zinc/62/87/92/516628792.db2.gz NRUKJZBGERESHS-UHFFFAOYSA-N 0 3 368.481 2.844 20 5 FFBDHN CC(C)N1CCN([C@H]2CCN(Cc3c(Cl)cccc3[N+](=O)[O-])C2)CC1 ZINC000547968079 516664712 /nfs/dbraw/zinc/66/47/12/516664712.db2.gz BZUUDBIOGIWUCK-HNNXBMFYSA-N 0 3 366.893 2.849 20 5 FFBDHN CCCN(CCN1CCCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000561724769 516733800 /nfs/dbraw/zinc/73/38/00/516733800.db2.gz QNTVALSPPSJFOA-UHFFFAOYSA-N 0 3 369.487 2.872 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000525024175 516899067 /nfs/dbraw/zinc/89/90/67/516899067.db2.gz PEYWHOFOWPWRPG-SGMGOOAPSA-N 0 3 369.849 2.814 20 5 FFBDHN CN(C)CCOc1ccc(-c2noc(-c3ccc([N+](=O)[O-])n3C)n2)cc1 ZINC000544987280 517011345 /nfs/dbraw/zinc/01/13/45/517011345.db2.gz DUNQULJAWQSBPH-UHFFFAOYSA-N 0 3 357.370 2.591 20 5 FFBDHN CCC[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCN1Cc1ccccc1 ZINC000537221231 517094901 /nfs/dbraw/zinc/09/49/01/517094901.db2.gz RPKQIZSDSNBUKC-GOSISDBHSA-N 0 3 357.458 2.778 20 5 FFBDHN CC[C@H](Cc1ccccc1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541740284 517194237 /nfs/dbraw/zinc/19/42/37/517194237.db2.gz KJDSVNFAWOTXEW-MRXNPFEDSA-N 0 3 362.451 2.979 20 5 FFBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC000559467635 517272559 /nfs/dbraw/zinc/27/25/59/517272559.db2.gz SGJRPMLTJQVSGL-RBUKOAKNSA-N 0 3 364.442 2.792 20 5 FFBDHN COc1ccc(CN(C)C)cc1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000520093278 517273008 /nfs/dbraw/zinc/27/30/08/517273008.db2.gz XPIJHHPOCDILLP-UHFFFAOYSA-N 0 3 358.398 2.716 20 5 FFBDHN CCc1ccc(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)cc1[N+](=O)[O-] ZINC000552516032 517290009 /nfs/dbraw/zinc/29/00/09/517290009.db2.gz GQNIPZIVIVVHTC-SFHVURJKSA-N 0 3 369.421 2.976 20 5 FFBDHN C[C@H](CN1CCCCC1)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541941767 517303241 /nfs/dbraw/zinc/30/32/41/517303241.db2.gz GNRJHWBUQSVCHY-LLVKDONJSA-N 0 3 357.357 2.800 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NCCN(C)Cc2ccccc2)c1 ZINC000548951394 517323485 /nfs/dbraw/zinc/32/34/85/517323485.db2.gz ZYXNKYGNRFEJHU-UHFFFAOYSA-N 0 3 357.410 2.855 20 5 FFBDHN C[C@@H]1CCCC[C@H]1OCCNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000548950112 517323593 /nfs/dbraw/zinc/32/35/93/517323593.db2.gz LGEXOWUBEXZIED-UWWQBHOKSA-N 0 3 352.431 2.519 20 5 FFBDHN C[C@@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000526115949 517351145 /nfs/dbraw/zinc/35/11/45/517351145.db2.gz NTYSQLSCEVBXGZ-ZDUSSCGKSA-N 0 3 366.414 2.901 20 5 FFBDHN CCCCOC1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000542280183 517481914 /nfs/dbraw/zinc/48/19/14/517481914.db2.gz OGMBSYXEHFHOJV-HNNXBMFYSA-N 0 3 352.431 2.616 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCN(C)C2CCCCC2)c1C ZINC000521046106 517592948 /nfs/dbraw/zinc/59/29/48/517592948.db2.gz IWJJOGJUNYECTG-UHFFFAOYSA-N 0 3 369.487 2.754 20 5 FFBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1cnn2ccccc12 ZINC000556914171 517744600 /nfs/dbraw/zinc/74/46/00/517744600.db2.gz ZHLBYLIINNAUDJ-ZDUSSCGKSA-N 0 3 353.382 2.749 20 5 FFBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000563417335 517892485 /nfs/dbraw/zinc/89/24/85/517892485.db2.gz LUCJDXNTBIANLB-ZWOKBUDYSA-N 0 3 367.449 2.807 20 5 FFBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN([C@@H]3CCN(Cc4ccccc4)C3)C2)nc1 ZINC000560729798 517992688 /nfs/dbraw/zinc/99/26/88/517992688.db2.gz OTBMXCOGLQDGPD-IEBWSBKVSA-N 0 3 367.453 2.751 20 5 FFBDHN CCc1ccc(C(=O)Nc2cnccc2N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000530833949 518000988 /nfs/dbraw/zinc/00/09/88/518000988.db2.gz ZAIOIVWRKIUPRI-UHFFFAOYSA-N 0 3 369.425 2.556 20 5 FFBDHN CCCCN1CCCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000522435560 518108300 /nfs/dbraw/zinc/10/83/00/518108300.db2.gz WUYJBAPKJHXHJL-AWEZNQCLSA-N 0 3 373.450 2.667 20 5 FFBDHN C[C@H]1CN(CCN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000539814920 518166536 /nfs/dbraw/zinc/16/65/36/518166536.db2.gz YKMGWZIZLZFPTM-JXFKEZNVSA-N 0 3 355.438 2.995 20 5 FFBDHN O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000522830460 518168279 /nfs/dbraw/zinc/16/82/79/518168279.db2.gz VGABNXYUYUMTTB-QGZVFWFLSA-N 0 3 354.410 2.518 20 5 FFBDHN O=[N+]([O-])c1cccc(CN[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1 ZINC000575368857 518205400 /nfs/dbraw/zinc/20/54/00/518205400.db2.gz WKFYGRWPJYVDAR-ICSRJNTNSA-N 0 3 355.438 2.567 20 5 FFBDHN CC(C)Oc1ccccc1CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000581424565 518278945 /nfs/dbraw/zinc/27/89/45/518278945.db2.gz WBLNMRVMEHPVOL-INIZCTEOSA-N 0 3 360.410 2.912 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2cccc(OC(F)F)c2)c1 ZINC000575796403 518284134 /nfs/dbraw/zinc/28/41/34/518284134.db2.gz ALHUQOXXPWOCAM-AWEZNQCLSA-N 0 3 368.336 2.726 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccncc1OCCN(C)C ZINC000584402994 518324586 /nfs/dbraw/zinc/32/45/86/518324586.db2.gz HITSJCFHWPTHDE-UHFFFAOYSA-N 0 3 373.413 2.560 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1 ZINC000572870145 518400572 /nfs/dbraw/zinc/40/05/72/518400572.db2.gz DDBDRCMXQDIIGS-SOUVJXGZSA-N 0 3 352.456 2.927 20 5 FFBDHN CN(C)c1ccccc1CN(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000576143019 518448632 /nfs/dbraw/zinc/44/86/32/518448632.db2.gz HFHBCJNJDKBSCJ-KRWDZBQOSA-N 0 3 359.426 2.533 20 5 FFBDHN CCc1ccc(S(=O)(=O)NC2CCN(C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000570158426 518469671 /nfs/dbraw/zinc/46/96/71/518469671.db2.gz RMMBDIKHCZGIGG-UHFFFAOYSA-N 0 3 369.487 2.698 20 5 FFBDHN CSC1(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCN(C)CC1 ZINC000567407138 518507917 /nfs/dbraw/zinc/50/79/17/518507917.db2.gz DRQAKRPIHRQELU-UHFFFAOYSA-N 0 3 357.863 2.805 20 5 FFBDHN O=C(Nc1ccc2c(c1)CNCCO2)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000582051025 518563770 /nfs/dbraw/zinc/56/37/70/518563770.db2.gz YYFLSXCRHRFEGQ-UHFFFAOYSA-N 0 3 368.393 2.667 20 5 FFBDHN COC(=O)COc1ccc(CN[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)cc1[N+](=O)[O-] ZINC000573289124 518593434 /nfs/dbraw/zinc/59/34/34/518593434.db2.gz QAZJGTXRMOIUBV-CWFSZBLJSA-N 0 3 368.389 2.575 20 5 FFBDHN CN1CCC[C@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000585808422 518614026 /nfs/dbraw/zinc/61/40/26/518614026.db2.gz BRGPOXDCCXBGGP-JTQLQIEISA-N 0 3 357.208 2.573 20 5 FFBDHN CNc1ccc(C(=O)N(CCN(C)C)Cc2ccsc2)cc1[N+](=O)[O-] ZINC000570494591 518633202 /nfs/dbraw/zinc/63/32/02/518633202.db2.gz HHNCMHZHQWQDAO-UHFFFAOYSA-N 0 3 362.455 2.902 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccncc1OCCN(C)C ZINC000573600543 518745300 /nfs/dbraw/zinc/74/53/00/518745300.db2.gz ZZHPNGWTKJHADP-UHFFFAOYSA-N 0 3 373.413 2.560 20 5 FFBDHN CN(C)C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(Cl)cc1 ZINC000565087804 518780091 /nfs/dbraw/zinc/78/00/91/518780091.db2.gz DTWJZVQCSZQNDM-GFCCVEGCSA-N 0 3 350.806 2.652 20 5 FFBDHN CSC1(CNC(=O)NCc2cccc([N+](=O)[O-])c2C)CCN(C)CC1 ZINC000582698656 518877268 /nfs/dbraw/zinc/87/72/68/518877268.db2.gz VNUJMPOXTOWWHW-UHFFFAOYSA-N 0 3 366.487 2.530 20 5 FFBDHN C[C@@H](C(=O)N(CCN(C)C)Cc1cccc(O)c1)c1cccc([N+](=O)[O-])c1 ZINC000582702909 518880099 /nfs/dbraw/zinc/88/00/99/518880099.db2.gz OFEQHURUFSKQDN-OAHLLOKOSA-N 0 3 371.437 2.994 20 5 FFBDHN CN(CCC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccncc1 ZINC000571354296 519053702 /nfs/dbraw/zinc/05/37/02/519053702.db2.gz YDKSQTMDYDBBJN-UHFFFAOYSA-N 0 3 367.409 2.656 20 5 FFBDHN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC[C@H]1CCN(C2CC2)C1 ZINC000568572041 519104943 /nfs/dbraw/zinc/10/49/43/519104943.db2.gz VDVBEPLBHKUPOV-LLVKDONJSA-N 0 3 351.378 2.807 20 5 FFBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000568663993 519154978 /nfs/dbraw/zinc/15/49/78/519154978.db2.gz JPVSIIUWPWZNPC-XLIONFOSSA-N 0 3 367.449 2.591 20 5 FFBDHN CCN1CC[C@H]2OCCN(c3ccc(Br)cc3[N+](=O)[O-])[C@H]2C1 ZINC000590142493 519160130 /nfs/dbraw/zinc/16/01/30/519160130.db2.gz AZDTVHCTKLSXNJ-LSDHHAIUSA-N 0 3 370.247 2.657 20 5 FFBDHN CCCN(C)[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000574476839 519172916 /nfs/dbraw/zinc/17/29/16/519172916.db2.gz BNEVUNWMDKADFZ-AWEZNQCLSA-N 0 3 365.821 2.784 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc(C3CCCCC3)cc2)c1 ZINC000565888456 519182932 /nfs/dbraw/zinc/18/29/32/519182932.db2.gz MGRFGKJNRCLFEK-IBGZPJMESA-N 0 3 358.442 2.990 20 5 FFBDHN CN(C)CCOc1cc(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)ccn1 ZINC000571674544 519214879 /nfs/dbraw/zinc/21/48/79/519214879.db2.gz VHTGXTJSKCLVGQ-UHFFFAOYSA-N 0 3 371.441 2.816 20 5 FFBDHN CCN(CC)[C@@H](CNc1nccc(C(=O)OC)c1[N+](=O)[O-])c1ccco1 ZINC000590574861 519271340 /nfs/dbraw/zinc/27/13/40/519271340.db2.gz HTXAZTZCXHTUFA-ZDUSSCGKSA-N 0 3 362.386 2.864 20 5 FFBDHN CC(C)[C@@H](NCc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H](CO)C(C)C ZINC000590659170 519305736 /nfs/dbraw/zinc/30/57/36/519305736.db2.gz IOHKOYMZFFILNA-KBXCAEBGSA-N 0 3 352.431 2.745 20 5 FFBDHN COC(=O)[C@@H]1CCC[C@@H]1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000590751931 519349407 /nfs/dbraw/zinc/34/94/07/519349407.db2.gz AEWAVRLBUQAQNM-XWIASGKRSA-N 0 3 369.805 2.507 20 5 FFBDHN CC[C@@H](C)N[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000580793374 519361172 /nfs/dbraw/zinc/36/11/72/519361172.db2.gz DXCGASLDEZDDQD-ABAIWWIYSA-N 0 3 371.397 2.923 20 5 FFBDHN Cc1ccccc1O[C@H](C)CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000572393398 519593053 /nfs/dbraw/zinc/59/30/53/519593053.db2.gz IHGIGFIKDDGNHM-HZPDHXFCSA-N 0 3 360.410 2.700 20 5 FFBDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000566647461 519593252 /nfs/dbraw/zinc/59/32/52/519593252.db2.gz YIXIYKTVMJLACM-CQSZACIVSA-N 0 3 357.476 2.610 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H](c3cccnc3)C2)c1 ZINC000602855820 519929375 /nfs/dbraw/zinc/92/93/75/519929375.db2.gz PQYMUTUFHUMHHG-FUHWJXTLSA-N 0 3 357.410 2.609 20 5 FFBDHN CC[C@@H](NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000594519452 520011635 /nfs/dbraw/zinc/01/16/35/520011635.db2.gz KUSSKLBYOYQRLP-GDBMZVCRSA-N 0 3 366.414 2.584 20 5 FFBDHN C[C@@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000591744281 520019227 /nfs/dbraw/zinc/01/92/27/520019227.db2.gz OAYVJUYKRXCRLI-CYBMUJFWSA-N 0 3 368.480 2.898 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCCOc1ccccc1Cl ZINC000591756966 520024668 /nfs/dbraw/zinc/02/46/68/520024668.db2.gz JXRCAQGDPLRVHL-CYBMUJFWSA-N 0 3 366.801 2.657 20 5 FFBDHN CC[C@@H]1CN(C)CCCN1C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000597606074 520131916 /nfs/dbraw/zinc/13/19/16/520131916.db2.gz UGJOWSRXPGSRPW-TZMCWYRMSA-N 0 3 369.849 2.958 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@@H]1CCN1Cc1ccccc1)OCCO2 ZINC000594998940 520249967 /nfs/dbraw/zinc/24/99/67/520249967.db2.gz MLSGKUPOKPZIBG-KRWDZBQOSA-N 0 3 369.421 2.730 20 5 FFBDHN O=C(NC[C@H]1CCN1C1CCCC1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000600469259 520279191 /nfs/dbraw/zinc/27/91/91/520279191.db2.gz IOCBOUOOXLWJTK-MRXNPFEDSA-N 0 3 369.425 2.732 20 5 FFBDHN O=C(NCc1cccc([N+](=O)[O-])c1)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000595233971 520365400 /nfs/dbraw/zinc/36/54/00/520365400.db2.gz CZATXHBUQBVYOL-QGZVFWFLSA-N 0 3 356.382 2.577 20 5 FFBDHN C[C@@H]1CN(CCN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C)O1 ZINC000595331953 520413752 /nfs/dbraw/zinc/41/37/52/520413752.db2.gz ZMVOZCSOMPNJSW-IYBDPMFKSA-N 0 3 363.458 2.547 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](CO)[C@H](C)c1ccccc1 ZINC000613389277 520478301 /nfs/dbraw/zinc/47/83/01/520478301.db2.gz HTXWLXUNUSOCSJ-GDBMZVCRSA-N 0 3 357.410 2.596 20 5 FFBDHN Cc1c(NC(=O)[C@H](C)N[C@H](CO)[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000613389178 520478891 /nfs/dbraw/zinc/47/88/91/520478891.db2.gz KHAFNDDJALRQHU-QIIPPGSGSA-N 0 3 371.437 2.984 20 5 FFBDHN COC[C@@H](CCO)NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000610089949 520535675 /nfs/dbraw/zinc/53/56/75/520535675.db2.gz GHUFNIUPIIUNRC-MRXNPFEDSA-N 0 3 359.426 2.850 20 5 FFBDHN CN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C2CC2)C1 ZINC000610104851 520540262 /nfs/dbraw/zinc/54/02/62/520540262.db2.gz YUNOXEBULLVPOX-SFHVURJKSA-N 0 3 360.458 2.796 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000610180978 520569826 /nfs/dbraw/zinc/56/98/26/520569826.db2.gz NDBXCYOFGQIESX-UHFFFAOYSA-N 0 3 353.422 2.732 20 5 FFBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@H](n1cncn1)C(F)(F)F ZINC000601144369 520657697 /nfs/dbraw/zinc/65/76/97/520657697.db2.gz SSSTZLDWAAGRHX-GJIAFCOMSA-N 0 3 355.320 2.983 20 5 FFBDHN CC(C)(C)O[C@@H]1C[C@@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCC2 ZINC000595779128 520717429 /nfs/dbraw/zinc/71/74/29/520717429.db2.gz ZKUJSPPKMSVNDN-HZPDHXFCSA-N 0 3 361.442 2.910 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC([C@@H]2CCCCO2)CC1 ZINC000595785766 520723681 /nfs/dbraw/zinc/72/36/81/520723681.db2.gz ZHLKHVVUHMABQS-AEFFLSMTSA-N 0 3 364.442 2.616 20 5 FFBDHN Cc1cc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)c([N+](=O)[O-])s1 ZINC000601308597 520733177 /nfs/dbraw/zinc/73/31/77/520733177.db2.gz AHOSSLDTYNJVSW-UHFFFAOYSA-N 0 3 373.500 2.604 20 5 FFBDHN O=C(CCN1CCOC(C2CC2)(C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595822145 520746985 /nfs/dbraw/zinc/74/69/85/520746985.db2.gz NMALMADNLHGDOM-UHFFFAOYSA-N 0 3 359.426 2.814 20 5 FFBDHN CN(c1ccccc1)[C@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000595825705 520749821 /nfs/dbraw/zinc/74/98/21/520749821.db2.gz FVCQERGXTLSCMK-OALUTQOASA-N 0 3 371.437 2.545 20 5 FFBDHN O=C(N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1(NC2CC2)CCC1 ZINC000595940463 520834544 /nfs/dbraw/zinc/83/45/44/520834544.db2.gz RJJAEMCCPRHDFP-UHFFFAOYSA-N 0 3 359.426 2.639 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000610816237 520854402 /nfs/dbraw/zinc/85/44/02/520854402.db2.gz DWNGGWFKWYHZKW-CABCVRRESA-N 0 3 368.437 2.932 20 5 FFBDHN CC(C)[C@H](O)[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000596065713 520889858 /nfs/dbraw/zinc/88/98/58/520889858.db2.gz KVGJZYRPBWMKDO-RLLQIKCJSA-N 0 3 374.437 2.682 20 5 FFBDHN CN(CCN1CCCCC1)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000593409269 520972737 /nfs/dbraw/zinc/97/27/37/520972737.db2.gz WZNAWUVQQOAWEZ-UHFFFAOYSA-N 0 3 373.457 2.746 20 5 FFBDHN CN1CCN(c2ncnc3sc([N+](=O)[O-])cc32)[C@@H](Cc2ccccc2)C1 ZINC000593503891 521036590 /nfs/dbraw/zinc/03/65/90/521036590.db2.gz MFHPXVYTGFJWRZ-AWEZNQCLSA-N 0 3 369.450 2.963 20 5 FFBDHN C[C@](O)(C[C@@H](O)CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000601966126 521045303 /nfs/dbraw/zinc/04/53/03/521045303.db2.gz PZOBNKWUYGXIKI-CABCVRRESA-N 0 3 362.348 2.615 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CN1CC[C@@H]3[C@@H](CCCN3C3CC3)C1)OCCO2 ZINC000611287366 521081601 /nfs/dbraw/zinc/08/16/01/521081601.db2.gz ZUDJVJXEWWGKGD-WMLDXEAASA-N 0 3 373.453 2.815 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(C[C@H]1COCCO1)C(F)(F)F ZINC000596618444 521167646 /nfs/dbraw/zinc/16/76/46/521167646.db2.gz BGTUGYLZUVZFJU-RYUDHWBXSA-N 0 3 362.304 2.826 20 5 FFBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599393408 521193477 /nfs/dbraw/zinc/19/34/77/521193477.db2.gz HZHLHBVKKOHGNX-NSHDSACASA-N 0 3 368.231 2.571 20 5 FFBDHN CCN(Cc1cn(C)nc1[N+](=O)[O-])[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000602448276 521350820 /nfs/dbraw/zinc/35/08/20/521350820.db2.gz ICMYMDCATPMEAJ-MAUKXSAKSA-N 0 3 357.458 2.986 20 5 FFBDHN COCCOCCCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602514285 521387530 /nfs/dbraw/zinc/38/75/30/521387530.db2.gz SJJJZPJYKLZRJY-UHFFFAOYSA-N 0 3 353.238 2.562 20 5 FFBDHN CCCOc1ccc(CNC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cn1 ZINC000602516633 521389713 /nfs/dbraw/zinc/38/97/13/521389713.db2.gz OSGRCKFUESSHLR-UHFFFAOYSA-N 0 3 371.441 2.932 20 5 FFBDHN COc1ccc(CNC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(OC)c1 ZINC000602517632 521393260 /nfs/dbraw/zinc/39/32/60/521393260.db2.gz IADKLPNOFXSUON-UHFFFAOYSA-N 0 3 372.425 2.766 20 5 FFBDHN COC[C@H](C)N(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCc2ccccc21 ZINC000599682860 521398773 /nfs/dbraw/zinc/39/87/73/521398773.db2.gz MHUKSMGVPWCPIY-HNAYVOBHSA-N 0 3 371.437 2.781 20 5 FFBDHN CCOc1ncccc1CNC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602592088 521427110 /nfs/dbraw/zinc/42/71/10/521427110.db2.gz ICXWKLZHXHLMTK-UHFFFAOYSA-N 0 3 357.414 2.542 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000602778075 521526996 /nfs/dbraw/zinc/52/69/96/521526996.db2.gz DXRFWIUEOUMKKH-HNNXBMFYSA-N 0 3 372.347 2.616 20 5 FFBDHN CC(C)[C@@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCN1 ZINC000621149951 522660240 /nfs/dbraw/zinc/66/02/40/522660240.db2.gz TTWNCHROASXCBW-SFHVURJKSA-N 0 3 363.461 2.611 20 5 FFBDHN C[C@H]([NH2+]CCOc1ccccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000824600199 608470095 /nfs/dbraw/zinc/47/00/95/608470095.db2.gz XSYSDDMNWGBVKN-LBPRGKRZSA-N 0 3 354.370 2.505 20 5 FFBDHN C[C@H]([NH2+]CCOc1ccccc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000824600199 608470097 /nfs/dbraw/zinc/47/00/97/608470097.db2.gz XSYSDDMNWGBVKN-LBPRGKRZSA-N 0 3 354.370 2.505 20 5 FFBDHN CC(C)CN1CCN(c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)CC1 ZINC001164657402 719339023 /nfs/dbraw/zinc/33/90/23/719339023.db2.gz KIEURJIRZCFHNX-UHFFFAOYSA-N 0 3 359.405 2.969 20 5 FFBDHN CC[C@](C)(CC(=O)OC)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000134111359 728728703 /nfs/dbraw/zinc/72/87/03/728728703.db2.gz DVRIVTOZHBLURV-OAHLLOKOSA-N 0 3 357.794 2.508 20 5 FFBDHN CCO[C@@H]1COCC[C@H]1NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000759172973 736552743 /nfs/dbraw/zinc/55/27/43/736552743.db2.gz KRRQKJDJVRBZFK-TZMCWYRMSA-N 0 3 359.220 2.641 20 5 FFBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[C@@H]1N(C)C ZINC000860447561 730512847 /nfs/dbraw/zinc/51/28/47/730512847.db2.gz QRVCDPQNTSUOBG-IRXDYDNUSA-N 0 3 359.451 2.866 20 5 FFBDHN CCCN(CC)CCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000779905372 738496046 /nfs/dbraw/zinc/49/60/46/738496046.db2.gz TYHSHNFZQZYJTF-UHFFFAOYSA-N 0 3 363.867 2.567 20 5 FFBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000874837254 732106023 /nfs/dbraw/zinc/10/60/23/732106023.db2.gz KDHRYTIVDCPRMV-STQMWFEESA-N 0 3 357.332 2.922 20 5 FFBDHN O=[N+]([O-])c1sc(CN[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)cc1Br ZINC000877682704 732413116 /nfs/dbraw/zinc/41/31/16/732413116.db2.gz PGBZRUWCWJLYMH-IOISZPOISA-N 0 3 359.245 2.932 20 5 FFBDHN CCOc1ccc([C@@H](C)NCC(C)(C)CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000926952603 738672961 /nfs/dbraw/zinc/67/29/61/738672961.db2.gz BUDWKAYLVGHTMN-GFCCVEGCSA-N 0 3 358.460 2.715 20 5 FFBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000881466477 733058209 /nfs/dbraw/zinc/05/82/09/733058209.db2.gz XIRIIRASFGQBJF-VXGBXAGGSA-N 0 3 368.231 2.666 20 5 FFBDHN COc1ccc(CNC[C@@H]2CCC3(CCOCC3)CO2)cc1[N+](=O)[O-] ZINC000883255387 733356545 /nfs/dbraw/zinc/35/65/45/733356545.db2.gz UKFBDLYMKGCOMU-HNNXBMFYSA-N 0 3 350.415 2.669 20 5 FFBDHN COc1c([O-])ccc(C[NH2+]CC[C@@H]2CC[C@H](C(F)(F)F)O2)c1[N+](=O)[O-] ZINC000896810514 735184373 /nfs/dbraw/zinc/18/43/73/735184373.db2.gz VWBPGUSJUGRXDG-CMPLNLGQSA-N 0 3 364.320 2.899 20 5 FFBDHN C[C@H](CNCc1ccc(S(C)(=O)=O)s1)c1ccccc1[N+](=O)[O-] ZINC000897461830 735237500 /nfs/dbraw/zinc/23/75/00/735237500.db2.gz YVHZRGPFIIIWJR-LLVKDONJSA-N 0 3 354.453 2.953 20 5 FFBDHN CS(=O)(=O)C1CCC(CNCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000922417343 738141317 /nfs/dbraw/zinc/14/13/17/738141317.db2.gz BPTULRUVNQIWPK-UHFFFAOYSA-N 0 3 360.863 2.941 20 5 FFBDHN CN1C[C@H]2CCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000930544026 739124701 /nfs/dbraw/zinc/12/47/01/739124701.db2.gz KBCUNSGVONOXSC-NOZJJQNGSA-N 0 3 369.219 2.525 20 5 FFBDHN CCOC(=O)C1([C@@H](C)N[C@@H](C)c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000933882607 739701095 /nfs/dbraw/zinc/70/10/95/739701095.db2.gz SOBKPCWGLFQLRY-UONOGXRCSA-N 0 3 350.415 2.994 20 5 FFBDHN O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H]2CCCN2C2CCCCC2)cs1 ZINC000797844225 740279935 /nfs/dbraw/zinc/27/99/35/740279935.db2.gz AMJBVOILSJTNFM-ZDUSSCGKSA-N 0 3 373.500 2.732 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H](C)CN(C)C(C)C)c1 ZINC000809861230 741357306 /nfs/dbraw/zinc/35/73/06/741357306.db2.gz UUDDONITONDOID-NSHDSACASA-N 0 3 363.867 2.564 20 5 FFBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810725529 741444776 /nfs/dbraw/zinc/44/47/76/741444776.db2.gz YWONGAZYYIJSFI-SFHVURJKSA-N 0 3 351.422 2.808 20 5 FFBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810725528 741444812 /nfs/dbraw/zinc/44/48/12/741444812.db2.gz YWONGAZYYIJSFI-GOSISDBHSA-N 0 3 351.422 2.808 20 5 FFBDHN CC(COC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1)[N+](=O)[O-] ZINC000813102185 741676754 /nfs/dbraw/zinc/67/67/54/741676754.db2.gz OSYYMZOZFUOOAG-QWRGUYRKSA-N 0 3 361.320 2.525 20 5 FFBDHN CC(COC(=O)c1ccc2c(c1)CCN2C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000813113577 741678949 /nfs/dbraw/zinc/67/89/49/741678949.db2.gz GKURKKGNSRXUNY-LLVKDONJSA-N 0 3 350.371 2.806 20 5 FFBDHN O=[N+]([O-])c1c(Br)cccc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000820670579 742534108 /nfs/dbraw/zinc/53/41/08/742534108.db2.gz RJBUGCLVRFTORB-LBPRGKRZSA-N 0 3 370.247 2.516 20 5 FFBDHN CO[C@H]1C[C@H](NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C12CCC2 ZINC000839191034 746798158 /nfs/dbraw/zinc/79/81/58/746798158.db2.gz NHSXUJVWDXTUFB-KBPBESRZSA-N 0 3 353.806 2.734 20 5 FFBDHN C[C@@H]1CN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)[C@H](C)CN1 ZINC000841160662 747283734 /nfs/dbraw/zinc/28/37/34/747283734.db2.gz DBRMCGALIGRFQF-RKDXNWHRSA-N 0 3 357.208 2.571 20 5 FFBDHN COC(=O)[C@@H]1CC[C@H](C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])C1 ZINC000845875357 748341258 /nfs/dbraw/zinc/34/12/58/748341258.db2.gz BLVLAVCWEOLUBP-MCYUEQNJSA-N 0 3 353.346 2.665 20 5 FFBDHN CC(C)CCC(=O)NCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845874038 748341725 /nfs/dbraw/zinc/34/17/25/748341725.db2.gz HBBBIAUGMABCPZ-SJKOYZFVSA-N 0 3 354.378 2.628 20 5 FFBDHN Cc1c(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])nnn1C(C)C ZINC000845882899 748343883 /nfs/dbraw/zinc/34/38/83/748343883.db2.gz QCMGKHKCYHLGES-IAQYHMDHSA-N 0 3 350.350 2.870 20 5 FFBDHN COC(=O)c1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c[nH]1 ZINC000845884088 748344801 /nfs/dbraw/zinc/34/48/01/748344801.db2.gz XHUQRWGWYRSFLZ-OTYXRUKQSA-N 0 3 350.302 2.504 20 5 FFBDHN CCOC(=O)CC1(NCc2ccc(Cl)c([N+](=O)[O-])c2)CCOCC1 ZINC000852725853 749933994 /nfs/dbraw/zinc/93/39/94/749933994.db2.gz AKLXECVQSHJHOB-UHFFFAOYSA-N 0 3 356.806 2.840 20 5 FFBDHN COc1c(O)ccc(CNC[C@]2(C)OCCc3ccccc32)c1[N+](=O)[O-] ZINC000896021613 971162292 /nfs/dbraw/zinc/16/22/92/971162292.db2.gz LWORCURUFIXMBC-IBGZPJMESA-N 0 3 358.394 2.887 20 5 FFBDHN C[C@](CO)(NCCCn1c(=O)[nH]c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC001175322791 1013444362 /nfs/dbraw/zinc/44/43/62/1013444362.db2.gz GERLDAKULYWKIZ-LJQANCHMSA-N 0 3 370.409 2.538 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2csc(N3CC[C@H]4[C@H]3CCCN4CCO)n2)cc1 ZINC000897219824 973456625 /nfs/dbraw/zinc/45/66/25/973456625.db2.gz OSXYDZICGXNUBY-DLBZAZTESA-N 0 3 374.466 2.754 20 5 FFBDHN O=[N+]([O-])c1cnn(C2CC(NC[C@@](O)(c3ccccc3)C(F)(F)F)C2)c1 ZINC000877006497 1014446651 /nfs/dbraw/zinc/44/66/51/1014446651.db2.gz KXDOSMHKNMYAJY-SSDMNJCBSA-N 0 3 370.331 2.535 20 5 FFBDHN CN(CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Cc1ccccc1 ZINC000729185419 978198877 /nfs/dbraw/zinc/19/88/77/978198877.db2.gz PXIYWVFRGQKWOI-UHFFFAOYSA-N 0 3 354.454 2.849 20 5 FFBDHN COc1cc(CN[C@@H]2COC[C@@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000914435947 987666441 /nfs/dbraw/zinc/66/64/41/987666441.db2.gz MUVDQGRMZICLMJ-CHWSQXEVSA-N 0 3 372.368 2.762 20 5 FFBDHN COC(=O)c1ccc(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000766002907 988968448 /nfs/dbraw/zinc/96/84/48/988968448.db2.gz SNORMQUNTDZILD-UHFFFAOYSA-N 0 3 359.382 2.733 20 5 FFBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H]2C[C@@H](O)C23CCOCC3)o1 ZINC000923017557 990794832 /nfs/dbraw/zinc/79/48/32/990794832.db2.gz BOEDNXHLJGNYOP-ZWKOTPCHSA-N 0 3 358.394 2.874 20 5 FFBDHN CC1(C)Nc2ccccc2[C@@H]1NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923425101 991134562 /nfs/dbraw/zinc/13/45/62/991134562.db2.gz FGXVBQPMEHBCTG-ACJLOTCBSA-N 0 3 357.410 2.870 20 5 FFBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000808795332 994270612 /nfs/dbraw/zinc/27/06/12/994270612.db2.gz TYRQLRJHOUPSBY-WOJBJXKFSA-N 0 3 374.412 2.694 20 5 FFBDHN CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813101536 995615520 /nfs/dbraw/zinc/61/55/20/995615520.db2.gz CZAARDBXEASCCE-LIRRHRJNSA-N 0 3 372.421 2.732 20 5 FFBDHN CN(C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000823979792 996771502 /nfs/dbraw/zinc/77/15/02/996771502.db2.gz CTIGBVHIVGVKJX-MRXNPFEDSA-N 0 3 369.425 2.915 20 5 FFBDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000844382192 997869933 /nfs/dbraw/zinc/86/99/33/997869933.db2.gz BDMVSCFEKPSLEJ-MRXNPFEDSA-N 0 3 357.385 2.796 20 5 FFBDHN CC([C@@H](OC(=O)CN(C)C(=O)OC(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845873764 998676843 /nfs/dbraw/zinc/67/68/43/998676843.db2.gz GAOHHVBPVCTECG-IAQYHMDHSA-N 0 3 370.377 2.942 20 5 FFBDHN CC([C@@H](OC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845875909 998676876 /nfs/dbraw/zinc/67/68/76/998676876.db2.gz OCNZVDIXKHOFHZ-XHBSWPGZSA-N 0 3 366.389 2.722 20 5 FFBDHN COc1cc(N2CCN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)ccc1Cl ZINC001169046808 1000018528 /nfs/dbraw/zinc/01/85/28/1000018528.db2.gz NDISEZJYFOGLAD-ZIAGYGMSSA-N 0 3 353.850 2.916 20 5 FFBDHN Cc1cccc(CN2CC[C@@H](NC(=O)Cc3ccc(F)cc3[N+](=O)[O-])C2)c1 ZINC001169150969 1000028047 /nfs/dbraw/zinc/02/80/47/1000028047.db2.gz XSZPUUZHLCNTKV-GOSISDBHSA-N 0 3 371.412 2.976 20 5 FFBDHN COC(=O)C[C@H](N[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])c1cccnc1 ZINC001170313303 1003104874 /nfs/dbraw/zinc/10/48/74/1003104874.db2.gz KUPLQDBCZBDXTQ-GUYCJALGSA-N 0 3 373.409 2.823 20 5 FFBDHN COc1ccc(C[C@@H](C)NCc2ccc(OC)nc2OC)c([N+](=O)[O-])c1 ZINC001170318252 1003108966 /nfs/dbraw/zinc/10/89/66/1003108966.db2.gz NZAWYAIUXLKOAA-GFCCVEGCSA-N 0 3 361.398 2.736 20 5 FFBDHN COc1ccc(C[C@H](C)N2CCC(N3CCCC3=O)CC2)c([N+](=O)[O-])c1 ZINC001170351778 1003136364 /nfs/dbraw/zinc/13/63/64/1003136364.db2.gz IQKWZVVFHHBATJ-AWEZNQCLSA-N 0 3 361.442 2.621 20 5 FFBDHN C[C@H](O)[C@H](O)CNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001203275928 1003413208 /nfs/dbraw/zinc/41/32/08/1003413208.db2.gz DHZQPCWCDFASQI-XHDPSFHLSA-N 0 3 366.801 2.872 20 5 FFBDHN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000804497772 1003704717 /nfs/dbraw/zinc/70/47/17/1003704717.db2.gz IEELJUZJEGJGAQ-GOSISDBHSA-N 0 3 372.381 2.552 20 5 FFBDHN COC(=O)N1CCC[C@@H]([C@H](C)NCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000775814083 1004459527 /nfs/dbraw/zinc/45/95/27/1004459527.db2.gz DXVWDNXELMVOFF-NWDGAFQWSA-N 0 3 362.386 2.693 20 5 FFBDHN O=C(Nc1ccccc1)C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776278318 1005345044 /nfs/dbraw/zinc/34/50/44/1005345044.db2.gz TUHJJWXOIBMCNW-LJQANCHMSA-N 0 3 369.421 2.979 20 5 FFBDHN COC(=O)[C@H](C)[C@@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000776591433 1006006300 /nfs/dbraw/zinc/00/63/00/1006006300.db2.gz MHOGRPMFEABMCZ-JEBQAFNWSA-N 0 3 358.394 2.768 20 5 FFBDHN C[C@@H](c1ccccc1)N1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000882810895 1006515229 /nfs/dbraw/zinc/51/52/29/1006515229.db2.gz GPOBHOPZBBZFPD-AWEZNQCLSA-N 0 3 356.426 2.553 20 5 FFBDHN O=c1[n-]ccc(Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)c1[N+](=O)[O-] ZINC000882943984 1006570666 /nfs/dbraw/zinc/57/06/66/1006570666.db2.gz OQSNIQSXMNQRFG-HNNXBMFYSA-N 0 3 355.398 2.723 20 5 FFBDHN O=c1[n-]ccc(Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)c1[N+](=O)[O-] ZINC000882943984 1006570676 /nfs/dbraw/zinc/57/06/76/1006570676.db2.gz OQSNIQSXMNQRFG-HNNXBMFYSA-N 0 3 355.398 2.723 20 5 FFBDHN Cc1ccc(CN2CC[C@@H](NC(=O)Cc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC001152413010 1032162977 /nfs/dbraw/zinc/16/29/77/1032162977.db2.gz WCTKURGVCNEBHT-GOSISDBHSA-N 0 3 353.422 2.836 20 5 FFBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC001135925193 1007628742 /nfs/dbraw/zinc/62/87/42/1007628742.db2.gz YBEMMQIYHQSCML-HNNXBMFYSA-N 0 3 359.401 2.945 20 5 FFBDHN Cc1c(C(=O)N[C@@H](C)CN2CCC(C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000855898771 1007629742 /nfs/dbraw/zinc/62/97/42/1007629742.db2.gz UXIBNFPUYWKTLY-LBPRGKRZSA-N 0 3 364.402 2.662 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823962329 1009280780 /nfs/dbraw/zinc/28/07/80/1009280780.db2.gz RLVWQKSMMFTGQX-SUMWQHHRSA-N 0 3 369.425 2.819 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC(N3CCCCC3)C2)c1F ZINC001173197334 1012341371 /nfs/dbraw/zinc/34/13/71/1012341371.db2.gz TVABJDBKIARMBT-ZDUSSCGKSA-N 0 3 351.422 2.844 20 5 FFBDHN CCO[C@H](C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-])C1CCOCC1 ZINC000870454555 1012389976 /nfs/dbraw/zinc/38/99/76/1012389976.db2.gz MIHGAABVIDIWBT-JLZZUVOBSA-N 0 3 369.389 2.907 20 5 FFBDHN Nc1ccc2c(c1)CN([C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)CCO2 ZINC000925755799 1017841957 /nfs/dbraw/zinc/84/19/57/1017841957.db2.gz YMVREPUAXFRCSZ-JKSUJKDBSA-N 0 3 357.414 2.752 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1CCc2ccccc2OC1 ZINC000801570721 1019126633 /nfs/dbraw/zinc/12/66/33/1019126633.db2.gz IITYWKDONJKOJJ-OAHLLOKOSA-N 0 3 355.394 2.825 20 5 FFBDHN O=C(CCN1CC[C@](O)(c2ccc(F)cc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000777734473 1019202856 /nfs/dbraw/zinc/20/28/56/1019202856.db2.gz QQKCVIXECSOSEP-LJQANCHMSA-N 0 3 373.384 2.656 20 5 FFBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000932214364 1020744273 /nfs/dbraw/zinc/74/42/73/1020744273.db2.gz COBXLNFPYSTBGR-MRXNPFEDSA-N 0 3 355.394 2.793 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](O)CNC2(c3ccc4c(c3)OCCO4)CC2)c1 ZINC000933998874 1021126536 /nfs/dbraw/zinc/12/65/36/1021126536.db2.gz FCHVBPSFOQXSFL-MRXNPFEDSA-N 0 3 356.378 2.678 20 5 FFBDHN CC(C)(C)N1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001116324937 1021166931 /nfs/dbraw/zinc/16/69/31/1021166931.db2.gz WJJQYPMSBXGRKC-UHFFFAOYSA-N 0 3 354.838 2.603 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934836971 1021421758 /nfs/dbraw/zinc/42/17/58/1021421758.db2.gz GUIPBEFTCXMJCB-HZPDHXFCSA-N 0 3 361.442 2.980 20 5 FFBDHN O=C(Nc1ccc2c(c1)CNCCO2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118021436 1022023779 /nfs/dbraw/zinc/02/37/79/1022023779.db2.gz HEYCMCWWEACUCL-UHFFFAOYSA-N 0 3 354.366 2.625 20 5 FFBDHN O=C(Nc1ccc([C@@H]2CNCCO2)cc1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001122071705 1024318398 /nfs/dbraw/zinc/31/83/98/1024318398.db2.gz YLWSAFAMKIHYAZ-QYZOEREBSA-N 0 3 367.405 2.998 20 5 FFBDHN CC(C)(C)OC(=O)NCC[C@@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000795222202 1025362278 /nfs/dbraw/zinc/36/22/78/1025362278.db2.gz QNDSNMHSXSSTSK-CYBMUJFWSA-N 0 3 367.446 2.695 20 5 FFBDHN CN(C)Cc1ccccc1NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000781938841 1029483778 /nfs/dbraw/zinc/48/37/78/1029483778.db2.gz AZHTWWOHAFQNKB-GOSISDBHSA-N 0 3 368.393 2.788 20 5 FFBDHN C[C@H](N[C@@H](COC(N)=O)Cc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840863479 1029896815 /nfs/dbraw/zinc/89/68/15/1029896815.db2.gz JJYASAIMZDCOIL-SWLSCSKDSA-N 0 3 358.398 2.948 20 5 FFBDHN COc1nc(C)nc(NC[C@@H](c2ccccc2)N2CCCC2)c1[N+](=O)[O-] ZINC001166864627 1030554904 /nfs/dbraw/zinc/55/49/04/1030554904.db2.gz DXNKDFYQPSLOMR-HNNXBMFYSA-N 0 3 357.414 2.951 20 5 FFBDHN COC(=O)CCN(Cc1c(C)ccc([N+](=O)[O-])c1C)C[C@H]1CCCO1 ZINC001204350284 1031248492 /nfs/dbraw/zinc/24/84/92/1031248492.db2.gz YVIKOYUWHHWBNR-OAHLLOKOSA-N 0 3 350.415 2.756 20 5 FFBDHN CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000831237287 1034003651 /nfs/dbraw/zinc/00/36/51/1034003651.db2.gz PEOBDHJTIVZPQI-BCLQGDPASA-N 0 3 365.430 2.616 20 5 FFBDHN Cc1c(CN2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000831563767 1034127572 /nfs/dbraw/zinc/12/75/72/1034127572.db2.gz POSWZBWKXZNVDG-KBPBESRZSA-N 0 3 371.359 2.746 20 5 FFBDHN C[C@H]1CCN(Cc2ccccc2)C[C@H]1Oc1ccc([N+](=O)[O-])cc1C(N)=O ZINC001226165516 1034553856 /nfs/dbraw/zinc/55/38/56/1034553856.db2.gz LLWMESBQOZWIPA-IFXJQAMLSA-N 0 3 369.421 2.983 20 5 FFBDHN CN1CCC[C@H](Oc2ccc(I)c([N+](=O)[O-])c2)C1 ZINC001229945644 1036992680 /nfs/dbraw/zinc/99/26/80/1036992680.db2.gz ALWQDMLMGWKMSV-JTQLQIEISA-N 0 3 362.167 2.672 20 5 FFBDHN COc1cc(N2CCC(N3CCCC(=O)[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093973 1038380402 /nfs/dbraw/zinc/38/04/02/1038380402.db2.gz UEIKUNXIUWLNMU-AWEZNQCLSA-N 0 3 361.442 2.873 20 5 FFBDHN N[C@H](Cc1nc(-c2cccc3ccnn32)no1)c1ccccc1[N+](=O)[O-] ZINC001249343228 1040691977 /nfs/dbraw/zinc/69/19/77/1040691977.db2.gz YNTOMLQCEABVEH-CYBMUJFWSA-N 0 3 350.338 2.535 20 5 FFBDHN Cc1ccnc(O[C@@H]2CCCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)n1 ZINC001254610864 1040840338 /nfs/dbraw/zinc/84/03/38/1040840338.db2.gz MMJYSWPXUFCDSQ-QZTJIDSGSA-N 0 3 354.410 2.704 20 5 FFBDHN CCc1ccc(-c2nc(-c3ccc4c(n3)CCNC4)no2)cc1[N+](=O)[O-] ZINC001215405943 1041771937 /nfs/dbraw/zinc/77/19/37/1041771937.db2.gz HFFIJJSZNRYTET-UHFFFAOYSA-N 0 3 351.366 2.915 20 5 FFBDHN CCc1ccc(S(=O)(=O)N2CCC(C)(C)NC(C)(C)C2)cc1[N+](=O)[O-] ZINC001309962122 1043612692 /nfs/dbraw/zinc/61/26/92/1043612692.db2.gz OESTWWLQONCLRM-UHFFFAOYSA-N 0 3 369.487 2.698 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(Nc2ccccc2)CC1 ZINC001320152525 1045357448 /nfs/dbraw/zinc/35/74/48/1045357448.db2.gz DIOQDCLVLFXYSS-SFHVURJKSA-N 0 3 371.437 2.911 20 5 FFBDHN N[C@@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CCCCC1 ZINC001326304928 1046863045 /nfs/dbraw/zinc/86/30/45/1046863045.db2.gz BMJVOGWJUWPHFV-GOSISDBHSA-N 0 3 361.442 2.872 20 5 FFBDHN COCCN1CCC[C@@H](Nc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1 ZINC001328689377 1048421085 /nfs/dbraw/zinc/42/10/85/1048421085.db2.gz PYIDAZVQZKSJFK-LLVKDONJSA-N 0 3 365.821 2.714 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCCC[NH+]2CCCC2)cc1F ZINC001475339566 1049153681 /nfs/dbraw/zinc/15/36/81/1049153681.db2.gz WIRUSKGMXZECTI-UHFFFAOYSA-N 0 3 373.450 2.587 20 5 FFBDHN C[C@@H]1CN[C@@H](C)[C@H](C)N1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC001344845488 1052058115 /nfs/dbraw/zinc/05/81/15/1052058115.db2.gz BRDAWFRTFDLBLL-PMPSAXMXSA-N 0 3 363.461 2.752 20 5 FFBDHN COC(=O)c1ccc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])o1 ZINC001343838200 1052445676 /nfs/dbraw/zinc/44/56/76/1052445676.db2.gz OSIAHFAWWABAOM-OTYXRUKQSA-N 0 3 351.286 2.769 20 5 FFBDHN Cc1c(NC(=O)N2CCN3CC[C@H]2C3)cc(Br)cc1[N+](=O)[O-] ZINC001347726594 1054261346 /nfs/dbraw/zinc/26/13/46/1054261346.db2.gz ADMPTUDEZWTJLO-NSHDSACASA-N 0 3 369.219 2.588 20 5 FFBDHN CCn1c([C@H](C)[N+](=O)[O-])nnc1N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC001352452854 1055489152 /nfs/dbraw/zinc/48/91/52/1055489152.db2.gz LNRGNUHRTYRAJR-PMPSAXMXSA-N 0 3 372.473 2.735 20 5 FFBDHN Cc1c(-c2nnc(N3CCN(C4CCCC4)CC3)n2C)cccc1[N+](=O)[O-] ZINC001338796873 1055824227 /nfs/dbraw/zinc/82/42/27/1055824227.db2.gz HKJPLBZHKRJDSF-UHFFFAOYSA-N 0 3 370.457 2.763 20 5 FFBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1NCCc2ccccc21 ZINC001353644419 1056607036 /nfs/dbraw/zinc/60/70/36/1056607036.db2.gz BKQBBOIUXHPUSI-MRXNPFEDSA-N 0 3 357.435 2.934 20 5 FFBDHN Cc1ccc(CN2CC[C@@H](NC(=O)Cc3ccc(F)cc3[N+](=O)[O-])C2)cc1 ZINC001455009347 1059669054 /nfs/dbraw/zinc/66/90/54/1059669054.db2.gz MOHLCEAJHNMULN-GOSISDBHSA-N 0 3 371.412 2.976 20 5 FFBDHN CCC(C)(C)N1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2CC(C)C)CC1 ZINC001517390503 1060479832 /nfs/dbraw/zinc/47/98/32/1060479832.db2.gz WADANHVKXDTWPK-CQSZACIVSA-N 0 3 352.483 2.582 20 5 FFBDHN COc1ccc(NC(=O)NCCN(C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001517710097 1060603694 /nfs/dbraw/zinc/60/36/94/1060603694.db2.gz WADSBMNRBSSYQR-UHFFFAOYSA-N 0 3 358.398 2.857 20 5 FFBDHN O=C(COC(=O)[C@@H]1CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000848774736 1060661562 /nfs/dbraw/zinc/66/15/62/1060661562.db2.gz QZCPCYPKWWXMEY-QGZVFWFLSA-N 0 3 368.389 2.843 20 5 FFBDHN CC[C@H](c1ccccc1)N1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC001459578069 1060775579 /nfs/dbraw/zinc/77/55/79/1060775579.db2.gz KNJMEBZZQNIZFL-GOSISDBHSA-N 0 3 357.458 2.869 20 5 FFBDHN COc1ccc(C[C@H]2CCN2C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC001459656051 1060788147 /nfs/dbraw/zinc/78/81/47/1060788147.db2.gz OTECNLBVYGBCKH-IAGOWNOFSA-N 0 3 372.421 2.660 20 5 FFBDHN C[C@H]1CN(CCCCNc2ncnc3cccc([N+](=O)[O-])c32)C[C@H](C)O1 ZINC000544394227 1061125325 /nfs/dbraw/zinc/12/53/25/1061125325.db2.gz PKCNOEMMXMFUDX-KBPBESRZSA-N 0 3 359.430 2.839 20 5 FFBDHN COCC[C@H](CNCc1ccc(C)c([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC001461699582 1061385148 /nfs/dbraw/zinc/38/51/48/1061385148.db2.gz XSCFIDUSKQSSIH-OAHLLOKOSA-N 0 3 367.446 2.923 20 5 FFBDHN CC[C@](O)(CCC(F)(F)F)C[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC001462616201 1061694064 /nfs/dbraw/zinc/69/40/64/1061694064.db2.gz DIARIHJDMSFBBB-AWEZNQCLSA-N 0 3 366.336 2.882 20 5 FFBDHN CC[C@](O)(CCC(F)(F)F)CNCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001462616201 1061694068 /nfs/dbraw/zinc/69/40/68/1061694068.db2.gz DIARIHJDMSFBBB-AWEZNQCLSA-N 0 3 366.336 2.882 20 5 FFBDHN CC(C)(NC(=O)c1cccc2c1OCCNC2)c1ccccc1[N+](=O)[O-] ZINC001575380573 1078134931 /nfs/dbraw/zinc/13/49/31/1078134931.db2.gz PAPBOIRSCOKUKD-UHFFFAOYSA-N 0 3 355.394 2.742 20 5 FFBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1ccc2cc[nH]c2c1 ZINC001559831626 1076194812 /nfs/dbraw/zinc/19/48/12/1076194812.db2.gz YVNWWWCICYKTHF-QGZVFWFLSA-N 0 3 369.421 2.990 20 5 FFBDHN Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c(OCCN(C)C)c1 ZINC000151378885 251067905 /nfs/dbraw/zinc/06/79/05/251067905.db2.gz NQKIWKNBVLGYOY-UHFFFAOYSA-N 0 3 373.409 2.861 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000181188278 251255202 /nfs/dbraw/zinc/25/52/02/251255202.db2.gz QOTVUNXNUTWXRY-HIFRSBDPSA-N 0 3 354.410 2.570 20 5 FFBDHN O=[N+]([O-])c1ccccc1C[C@@H](NCCS(=O)(=O)c1ccccc1)C1CC1 ZINC000268823921 251395613 /nfs/dbraw/zinc/39/56/13/251395613.db2.gz SQKVZLDCYDDCTM-GOSISDBHSA-N 0 3 374.462 2.979 20 5 FFBDHN Cn1ccnc1[C@H](NCCN1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272470375 252045754 /nfs/dbraw/zinc/04/57/54/252045754.db2.gz AFESKWRXVKNHHV-GOSISDBHSA-N 0 3 357.458 2.883 20 5 FFBDHN Cc1nccn1C[C@H](C)CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272566828 252069157 /nfs/dbraw/zinc/06/91/57/252069157.db2.gz VARMKELQEGTKLC-RDTXWAMCSA-N 0 3 368.441 2.849 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000275547180 256022710 /nfs/dbraw/zinc/02/27/10/256022710.db2.gz BIMQELCCQIGCBO-LBPRGKRZSA-N 0 3 350.419 2.797 20 5 FFBDHN CN(C)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000275985471 256064149 /nfs/dbraw/zinc/06/41/49/256064149.db2.gz NAWXLTOTROYIAV-UHFFFAOYSA-N 0 3 356.220 2.571 20 5 FFBDHN COc1cc(CN[C@@H]2CCOC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000277439637 256198159 /nfs/dbraw/zinc/19/81/59/256198159.db2.gz LFKFATZANBVBPV-CMPLNLGQSA-N 0 3 360.357 2.762 20 5 FFBDHN COc1cc(CN[C@H]2CCOC[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000277439641 256198191 /nfs/dbraw/zinc/19/81/91/256198191.db2.gz LFKFATZANBVBPV-PWSUYJOCSA-N 0 3 360.357 2.762 20 5 FFBDHN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC(CN2CCOCC2)CC1 ZINC000278453527 256314749 /nfs/dbraw/zinc/31/47/49/256314749.db2.gz RVWCAAYARSSKLI-UHFFFAOYSA-N 0 3 374.363 2.557 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279313139 256404674 /nfs/dbraw/zinc/40/46/74/256404674.db2.gz OPCMKOMCYNLNJT-LKFCYVNXSA-N 0 3 355.797 2.529 20 5 FFBDHN CCS[C@@H]1CCC[C@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000286030639 257016937 /nfs/dbraw/zinc/01/69/37/257016937.db2.gz HWHDMHGNJTXDCE-MEBBXXQBSA-N 0 3 367.427 2.526 20 5 FFBDHN CC[C@@H](C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)N(C)C ZINC000286297724 257030139 /nfs/dbraw/zinc/03/01/39/257030139.db2.gz PSMSHRUHFLDBGX-ZDUSSCGKSA-N 0 3 370.247 2.582 20 5 FFBDHN Cc1c(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000288550604 257203638 /nfs/dbraw/zinc/20/36/38/257203638.db2.gz VNHVYTPADQYJDI-SMDDNHRTSA-N 0 3 362.386 2.510 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H](c2ccncc2)C1 ZINC000289346543 257275796 /nfs/dbraw/zinc/27/57/96/257275796.db2.gz MNSBGCTWCYPPMI-SJORKVTESA-N 0 3 357.410 2.609 20 5 FFBDHN CC(C)(CCC(=O)NCC1CCN(Cc2cccs2)CC1)[N+](=O)[O-] ZINC000294606350 257595111 /nfs/dbraw/zinc/59/51/11/257595111.db2.gz DFTBTEUKJZYUIM-UHFFFAOYSA-N 0 3 353.488 2.912 20 5 FFBDHN COc1ccc(NC(=O)CCN(Cc2ccccn2)C2CC2)c([N+](=O)[O-])c1 ZINC000299709649 258018794 /nfs/dbraw/zinc/01/87/94/258018794.db2.gz QDHMTDZOYFKURQ-UHFFFAOYSA-N 0 3 370.409 2.992 20 5 FFBDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1cccc(F)c1[N+](=O)[O-] ZINC000302466551 258102779 /nfs/dbraw/zinc/10/27/79/258102779.db2.gz SQUSGWZJMODIEX-IBGZPJMESA-N 0 3 359.401 2.807 20 5 FFBDHN COC(=O)c1cnc(N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000302749520 258109778 /nfs/dbraw/zinc/10/97/78/258109778.db2.gz GRQRHRXGLSQSBX-XQQFMLRXSA-N 0 3 350.419 2.555 20 5 FFBDHN C[C@@H]1CN(CCCCNc2nc3sccn3c2[N+](=O)[O-])C[C@H](C)O1 ZINC000301551684 258055224 /nfs/dbraw/zinc/05/52/24/258055224.db2.gz HCOCEWJQSCPFSS-TXEJJXNPSA-N 0 3 353.448 2.605 20 5 FFBDHN COC(=O)c1cc([N+](=O)[O-])c(N2CC[C@@H](N3CCCC3)C2)cc1Cl ZINC000301642582 258060468 /nfs/dbraw/zinc/06/04/68/258060468.db2.gz BSWMRIMGRBRDNT-LLVKDONJSA-N 0 3 353.806 2.709 20 5 FFBDHN C[C@@H]1CN(CC2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000301754797 258066265 /nfs/dbraw/zinc/06/62/65/258066265.db2.gz WXSZVJGTLROLQS-CHWSQXEVSA-N 0 3 368.865 2.969 20 5 FFBDHN CC(C)c1[nH]nc(C(=O)N2CCN(CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000331207659 258179603 /nfs/dbraw/zinc/17/96/03/258179603.db2.gz FHOJTYZFTWPRTA-UHFFFAOYSA-N 0 3 363.462 2.779 20 5 FFBDHN CS[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000332082741 258213173 /nfs/dbraw/zinc/21/31/73/258213173.db2.gz OLCIGEBIFYJXOE-GJZGRUSLSA-N 0 3 369.874 2.900 20 5 FFBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000332164850 258217076 /nfs/dbraw/zinc/21/70/76/258217076.db2.gz KNUAWITVWHKRTD-YPMHNXCESA-N 0 3 369.368 2.895 20 5 FFBDHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[C@H](N2CCCCC2)C1 ZINC000332668084 258239574 /nfs/dbraw/zinc/23/95/74/258239574.db2.gz OTQGOGCOKPFLQD-LBPRGKRZSA-N 0 3 353.369 2.502 20 5 FFBDHN CCc1ccc([C@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000032735068 506286943 /nfs/dbraw/zinc/28/69/43/506286943.db2.gz RCEWPCNGTOPOAE-IBGZPJMESA-N 0 3 371.437 2.955 20 5 FFBDHN C[C@@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCCC[C@H]1C ZINC000032737680 506287633 /nfs/dbraw/zinc/28/76/33/506287633.db2.gz GBNRWGPDGBDBFG-CABCVRRESA-N 0 3 371.441 2.773 20 5 FFBDHN Cc1ccc(CN(CCN(C)C)C(=O)NCCc2ccc([N+](=O)[O-])cc2)o1 ZINC000054644356 506595085 /nfs/dbraw/zinc/59/50/85/506595085.db2.gz UWBYUEQLMRDARU-UHFFFAOYSA-N 0 3 374.441 2.812 20 5 FFBDHN CCOc1cc(C(=O)NC[C@H](CC(C)C)N(C)C)c([N+](=O)[O-])cc1OC ZINC000042585653 506637875 /nfs/dbraw/zinc/63/78/75/506637875.db2.gz OPTBGVWRLOOBKC-ZDUSSCGKSA-N 0 3 367.446 2.708 20 5 FFBDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000067722813 506988983 /nfs/dbraw/zinc/98/89/83/506988983.db2.gz QUFGDZNOPHBJNX-KRWDZBQOSA-N 0 3 356.426 2.567 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C(=O)NCCCN(C)Cc2ccccc2)c1 ZINC000060063823 507511767 /nfs/dbraw/zinc/51/17/67/507511767.db2.gz WKHQIONFIYLOJU-UHFFFAOYSA-N 0 3 357.410 2.855 20 5 FFBDHN CC1CCN([C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)c2ccccc2)CC1 ZINC000060451838 507546405 /nfs/dbraw/zinc/54/64/05/507546405.db2.gz MRCZZSNFNGPLGG-HNNXBMFYSA-N 0 3 356.430 2.852 20 5 FFBDHN C[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000026713217 507604634 /nfs/dbraw/zinc/60/46/34/507604634.db2.gz XIWLHQOHSZOVIU-BXUZGUMPSA-N 0 3 352.337 2.964 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCCN2CCCC[C@H]2C)c1C ZINC000071808486 507717732 /nfs/dbraw/zinc/71/77/32/507717732.db2.gz VRXICQHTDYHPEG-CQSZACIVSA-N 0 3 369.487 2.754 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](C)S[C@H](C)C1 ZINC000072770549 507851248 /nfs/dbraw/zinc/85/12/48/507851248.db2.gz CLIYKDPSLHOAPA-VXGBXAGGSA-N 0 3 353.444 2.758 20 5 FFBDHN COc1ccc(CC2CCN(CCn3cc([N+](=O)[O-])ccc3=O)CC2)cc1 ZINC000090523074 507925489 /nfs/dbraw/zinc/92/54/89/507925489.db2.gz AGTMJNHSMPAVAC-UHFFFAOYSA-N 0 3 371.437 2.720 20 5 FFBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCCN2CC)cc1OC ZINC000110996518 508063834 /nfs/dbraw/zinc/06/38/34/508063834.db2.gz IWMRKWZDOVCOHK-CYBMUJFWSA-N 0 3 365.430 2.606 20 5 FFBDHN CCN1CCN(C[C@@H](C)CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000092612724 508086460 /nfs/dbraw/zinc/08/64/60/508086460.db2.gz HUPKSBOMOGDOMQ-ZDUSSCGKSA-N 0 3 372.416 2.882 20 5 FFBDHN CCN1CCN(C[C@H](C)CNc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000092612741 508086723 /nfs/dbraw/zinc/08/67/23/508086723.db2.gz RVAMIQSYIPBRTN-OAHLLOKOSA-N 0 3 357.458 2.829 20 5 FFBDHN CC[C@](C)(O)CNCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000111384727 508096259 /nfs/dbraw/zinc/09/62/59/508096259.db2.gz OQMZCVBLJZSJDB-AWEZNQCLSA-N 0 3 366.336 2.795 20 5 FFBDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000081128573 508141010 /nfs/dbraw/zinc/14/10/10/508141010.db2.gz CKNHOJHKJUAVBG-LJQANCHMSA-N 0 3 353.422 2.870 20 5 FFBDHN CNC(=O)CCCN(C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000093717827 508153139 /nfs/dbraw/zinc/15/31/39/508153139.db2.gz NNJQGWZMQBLVMB-UHFFFAOYSA-N 0 3 361.398 2.821 20 5 FFBDHN CCN(CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000102066024 508266198 /nfs/dbraw/zinc/26/61/98/508266198.db2.gz FEDBJYQSUNHBPF-UHFFFAOYSA-N 0 3 358.345 2.802 20 5 FFBDHN C[C@@H]1CN(CCCCNC(=O)CCc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000087496388 508354037 /nfs/dbraw/zinc/35/40/37/508354037.db2.gz JBERROLAONFJBL-HZPDHXFCSA-N 0 3 363.458 2.533 20 5 FFBDHN CC1CCC(N2CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000115567128 508410639 /nfs/dbraw/zinc/41/06/39/508410639.db2.gz PGQYEXHVYVLWLM-UHFFFAOYSA-N 0 3 360.458 2.730 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000153083012 508545999 /nfs/dbraw/zinc/54/59/99/508545999.db2.gz MQAOLCMVSHNJLC-UHFFFAOYSA-N 0 3 356.426 2.939 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000134873652 508571502 /nfs/dbraw/zinc/57/15/02/508571502.db2.gz ZHNLQPAYZDKSIC-DNVCBOLYSA-N 0 3 372.469 2.790 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000122926518 508607981 /nfs/dbraw/zinc/60/79/81/508607981.db2.gz CQSBEFIQOWDZSH-MRXNPFEDSA-N 0 3 372.425 2.898 20 5 FFBDHN CCN(CC)[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1Cl ZINC000158942615 508771608 /nfs/dbraw/zinc/77/16/08/508771608.db2.gz CQCHTSYLCMYPGP-ZDUSSCGKSA-N 0 3 365.821 2.784 20 5 FFBDHN Cc1sc(S(=O)(=O)[N-][C@@H](CC[NH+](C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000124076909 508780213 /nfs/dbraw/zinc/78/02/13/508780213.db2.gz HVVYBGDZIHUWSY-LBPRGKRZSA-N 0 3 363.505 2.609 20 5 FFBDHN CCN1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000159032630 508783637 /nfs/dbraw/zinc/78/36/37/508783637.db2.gz FOGWEPZNRCKSKU-JTQLQIEISA-N 0 3 356.220 2.571 20 5 FFBDHN CN1CCC(N(Cc2ccco2)C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000124154215 508789795 /nfs/dbraw/zinc/78/97/95/508789795.db2.gz DRURFAGORLMOCS-UHFFFAOYSA-N 0 3 373.409 2.690 20 5 FFBDHN CN(C)CCn1c(=O)oc2ccc(NCc3csc([N+](=O)[O-])c3)cc21 ZINC000124648601 508864072 /nfs/dbraw/zinc/86/40/72/508864072.db2.gz HCGAIGBSZIBBFZ-UHFFFAOYSA-N 0 3 362.411 2.738 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3CCCS3(=O)=O)s2)cc1 ZINC000131735934 508964801 /nfs/dbraw/zinc/96/48/01/508964801.db2.gz QQVKSBCCSMOTSA-OAHLLOKOSA-N 0 3 366.464 2.990 20 5 FFBDHN Cc1cnn([C@H]2CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000377761353 512436120 /nfs/dbraw/zinc/43/61/20/512436120.db2.gz PFRVAZRHZOCWOS-INIZCTEOSA-N 0 3 357.414 2.684 20 5 FFBDHN C[C@@H](CN1CCCCC1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000161549267 509128006 /nfs/dbraw/zinc/12/80/06/509128006.db2.gz RYBZKSXVFPXOOQ-NSHDSACASA-N 0 3 370.247 2.962 20 5 FFBDHN CN1CC[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000247962268 509202152 /nfs/dbraw/zinc/20/21/52/509202152.db2.gz DATCJQJKDKYAPW-OXQOHEQNSA-N 0 3 369.421 2.925 20 5 FFBDHN CN(C)[C@@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000191884907 509230417 /nfs/dbraw/zinc/23/04/17/509230417.db2.gz ZCYIFYJLZPUDTO-KRWDZBQOSA-N 0 3 369.487 2.525 20 5 FFBDHN CN1CC[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000248147467 509248479 /nfs/dbraw/zinc/24/84/79/509248479.db2.gz ZWZPPBVFCLROJZ-VQIMIIECSA-N 0 3 354.410 2.568 20 5 FFBDHN COc1ccc(OCCN2CCN(C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000163072699 509337321 /nfs/dbraw/zinc/33/73/21/509337321.db2.gz BFYBYECCOZJJAQ-UHFFFAOYSA-N 0 3 363.458 2.933 20 5 FFBDHN O=[N+]([O-])c1cnn(CCN[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000192090690 509341184 /nfs/dbraw/zinc/34/11/84/509341184.db2.gz PZYWWZGUIYBSRG-CABCVRRESA-N 0 3 354.769 2.704 20 5 FFBDHN C[C@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[C@@H](N)c1ccccc1 ZINC000163580989 509396333 /nfs/dbraw/zinc/39/63/33/509396333.db2.gz HHARYAOBDCRPGR-HNAYVOBHSA-N 0 3 368.437 2.580 20 5 FFBDHN CCCc1n[nH]c(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000248719035 509451176 /nfs/dbraw/zinc/45/11/76/509451176.db2.gz CDVJBGKBCXQYCM-CZUORRHYSA-N 0 3 371.441 2.521 20 5 FFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)[C@H](C)C1 ZINC000173259562 509485782 /nfs/dbraw/zinc/48/57/82/509485782.db2.gz XMICXBFCERNSMY-CZUORRHYSA-N 0 3 369.487 2.562 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000248816807 509495875 /nfs/dbraw/zinc/49/58/75/509495875.db2.gz LAKNBZFUOFWMNE-HNAYVOBHSA-N 0 3 353.422 2.774 20 5 FFBDHN CN(C)CCN(Cc1cccs1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000176459235 509524768 /nfs/dbraw/zinc/52/47/68/509524768.db2.gz XOAMACPNPUGHNM-UHFFFAOYSA-N 0 3 362.455 2.930 20 5 FFBDHN CCC[C@@H](N[C@@H](C(=O)N1CCOCC1)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000164928524 509547167 /nfs/dbraw/zinc/54/71/67/509547167.db2.gz CFIMAJAOHHNODL-QZTJIDSGSA-N 0 3 363.458 2.909 20 5 FFBDHN CCc1n[nH]c(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000189428409 509571008 /nfs/dbraw/zinc/57/10/08/509571008.db2.gz ITEMIXAXBQLOTI-IBGZPJMESA-N 0 3 371.441 2.665 20 5 FFBDHN CCOC(=O)C[C@@H](C)N(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000183181422 509644089 /nfs/dbraw/zinc/64/40/89/509644089.db2.gz FTOTUKSTXCIOCB-CYBMUJFWSA-N 0 3 360.414 2.769 20 5 FFBDHN COc1ccc(NC(=O)CN[C@H]2CCCO[C@@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000186364059 509670713 /nfs/dbraw/zinc/67/07/13/509670713.db2.gz BYUVBGUGXFKAOE-DOTOQJQBSA-N 0 3 365.430 2.725 20 5 FFBDHN C[C@@H]1CN(CCCCNC(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000267946610 509681395 /nfs/dbraw/zinc/68/13/95/509681395.db2.gz PEOPNXMIOWBIHZ-OKILXGFUSA-N 0 3 350.419 2.606 20 5 FFBDHN NC(=O)COc1cccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192908866 509694683 /nfs/dbraw/zinc/69/46/83/509694683.db2.gz GOMZBWOWLUZENU-SFHVURJKSA-N 0 3 355.394 2.626 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[C@H]1CCCCN1C ZINC000173666532 509708643 /nfs/dbraw/zinc/70/86/43/509708643.db2.gz JIIRFWPGFGDVQE-OAHLLOKOSA-N 0 3 369.487 2.652 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CN1C1CC1 ZINC000268040713 509731041 /nfs/dbraw/zinc/73/10/41/509731041.db2.gz XYWBBGDLFRDMIF-KOLCDFICSA-N 0 3 357.332 2.969 20 5 FFBDHN COc1cc(CN(C)CCN(C)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000186754027 509889397 /nfs/dbraw/zinc/88/93/97/509889397.db2.gz HEHWWJRLDJMYJW-UHFFFAOYSA-N 0 3 359.373 2.731 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000177207976 509937758 /nfs/dbraw/zinc/93/77/58/509937758.db2.gz NWMUOXNEWGHTPX-HIFRSBDPSA-N 0 3 358.442 2.550 20 5 FFBDHN Cc1c(NC(=O)CCN2CCC[C@H](c3cc[nH]n3)C2)cccc1[N+](=O)[O-] ZINC000193585279 509978158 /nfs/dbraw/zinc/97/81/58/509978158.db2.gz HRJHVDMHXYCTFB-AWEZNQCLSA-N 0 3 357.414 2.835 20 5 FFBDHN COc1ccc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000268622707 510040430 /nfs/dbraw/zinc/04/04/30/510040430.db2.gz YNIVBKSWMBCANO-KRWDZBQOSA-N 0 3 369.421 2.950 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCNC[C@H]1c1cccc(F)c1 ZINC000261771092 510057497 /nfs/dbraw/zinc/05/74/97/510057497.db2.gz OSBWZFXJJWVNOX-SFHVURJKSA-N 0 3 372.400 2.627 20 5 FFBDHN CC(C)c1ccc([C@H](N)CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000261963439 510129931 /nfs/dbraw/zinc/12/99/31/510129931.db2.gz AMAOWGUCYDJFGL-QGZVFWFLSA-N 0 3 363.439 2.697 20 5 FFBDHN CCO[C@@H]1C[C@@](N)(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC000187283939 510171090 /nfs/dbraw/zinc/17/10/90/510171090.db2.gz PFBRCUQWVLSCED-RHSMWYFYSA-N 0 3 369.849 2.739 20 5 FFBDHN O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000194107141 510218029 /nfs/dbraw/zinc/21/80/29/510218029.db2.gz SUTFAQGUYXPPKH-SFHVURJKSA-N 0 3 368.437 2.916 20 5 FFBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000246025809 510254539 /nfs/dbraw/zinc/25/45/39/510254539.db2.gz VNGNHSFYCKZVFJ-FZMZJTMJSA-N 0 3 369.368 2.753 20 5 FFBDHN COc1cccc(C(=O)NCCN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000178016420 510379341 /nfs/dbraw/zinc/37/93/41/510379341.db2.gz INQXWDDOEXMCGQ-AWEZNQCLSA-N 0 3 357.410 2.992 20 5 FFBDHN Cn1cccc1[C@H]1CCCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000175116237 510490034 /nfs/dbraw/zinc/49/00/34/510490034.db2.gz DDDWLHPUNDTHLB-QFBILLFUSA-N 0 3 359.426 2.900 20 5 FFBDHN COc1ccc([C@@H]2CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000181650178 510521990 /nfs/dbraw/zinc/52/19/90/510521990.db2.gz FXGFONYBAOFZBN-SJORKVTESA-N 0 3 372.421 2.833 20 5 FFBDHN COc1ccccc1[C@@H](CC(C)C)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000181717190 510555581 /nfs/dbraw/zinc/55/55/81/510555581.db2.gz SLKBLNVUMUTLBN-NVXWUHKLSA-N 0 3 362.430 2.538 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000246730074 510640520 /nfs/dbraw/zinc/64/05/20/510640520.db2.gz MVZOVJDKHONBLT-CVEARBPZSA-N 0 3 350.806 2.643 20 5 FFBDHN COc1ccc([C@H](C)NCCn2ccc([N+](=O)[O-])n2)cc1Br ZINC000182060728 510735213 /nfs/dbraw/zinc/73/52/13/510735213.db2.gz ZBYRKYGKXVDAAN-JTQLQIEISA-N 0 3 369.219 2.913 20 5 FFBDHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000247009528 510796539 /nfs/dbraw/zinc/79/65/39/510796539.db2.gz RFDAARZQRIDTCS-SJORKVTESA-N 0 3 372.469 2.894 20 5 FFBDHN CC(=O)Nc1cccc([C@H](C)NC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000182205312 510812980 /nfs/dbraw/zinc/81/29/80/510812980.db2.gz CMWVWFOPRVAKOI-SUMWQHHRSA-N 0 3 373.409 2.644 20 5 FFBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000247113483 510837503 /nfs/dbraw/zinc/83/75/03/510837503.db2.gz LRPCHFGOGCROIL-YJBOKZPZSA-N 0 3 360.458 2.730 20 5 FFBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000247167346 510848082 /nfs/dbraw/zinc/84/80/82/510848082.db2.gz AQQSGDRHZLQPAI-ZWNOBZJWSA-N 0 3 370.247 2.770 20 5 FFBDHN CC[C@H](NC(=O)Nc1ccnn1CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000297334109 510907227 /nfs/dbraw/zinc/90/72/27/510907227.db2.gz JDUIQJMRBXOSCM-HNNXBMFYSA-N 0 3 360.418 2.626 20 5 FFBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000285544408 510948822 /nfs/dbraw/zinc/94/88/22/510948822.db2.gz LVDQHTCNXILCFN-CZUORRHYSA-N 0 3 357.414 2.703 20 5 FFBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000270736788 510967709 /nfs/dbraw/zinc/96/77/09/510967709.db2.gz BPTONHHXDUEKQN-HNNXBMFYSA-N 0 3 362.474 2.976 20 5 FFBDHN CC(C)N1CCC(N(C)C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000294229503 510997510 /nfs/dbraw/zinc/99/75/10/510997510.db2.gz BEVVGUDZTPWLIB-UHFFFAOYSA-N 0 3 361.442 2.889 20 5 FFBDHN CN1CCC[C@@]2(CCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000294231690 510998217 /nfs/dbraw/zinc/99/82/17/510998217.db2.gz RNVRZAKNASVTJR-QGZVFWFLSA-N 0 3 369.824 2.874 20 5 FFBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnn1CCN(C)C ZINC000297594642 511002159 /nfs/dbraw/zinc/00/21/59/511002159.db2.gz ZKBKHJRPLOMADT-UHFFFAOYSA-N 0 3 374.445 2.795 20 5 FFBDHN COCCCn1nccc1CNCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000282785890 511111644 /nfs/dbraw/zinc/11/16/44/511111644.db2.gz YCGOGSNWSWLYDT-UHFFFAOYSA-N 0 3 352.822 2.814 20 5 FFBDHN Cc1cc(C2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000271654408 511276609 /nfs/dbraw/zinc/27/66/09/511276609.db2.gz VTGZRNYONOKOBV-UHFFFAOYSA-N 0 3 357.414 2.835 20 5 FFBDHN Cc1cc(C2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)[nH]n1 ZINC000271654408 511276611 /nfs/dbraw/zinc/27/66/11/511276611.db2.gz VTGZRNYONOKOBV-UHFFFAOYSA-N 0 3 357.414 2.835 20 5 FFBDHN C[C@H](NC(=O)CC1(N2CCOCC2)CCCC1)c1ccccc1[N+](=O)[O-] ZINC000271706447 511294988 /nfs/dbraw/zinc/29/49/88/511294988.db2.gz MPXCIAONRYNVLX-HNNXBMFYSA-N 0 3 361.442 2.807 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CNC1CCC(CS(C)(=O)=O)CC1 ZINC000295149400 511299099 /nfs/dbraw/zinc/29/90/99/511299099.db2.gz QXZBRENHBSXACS-UHFFFAOYSA-N 0 3 370.471 2.687 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)c1 ZINC000291726411 511312650 /nfs/dbraw/zinc/31/26/50/511312650.db2.gz HXIJLSLYPDYSSF-KDOFPFPSSA-N 0 3 369.421 2.996 20 5 FFBDHN CN1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000283465905 511377382 /nfs/dbraw/zinc/37/73/82/511377382.db2.gz ZDAAWUDSBZWFIZ-UHFFFAOYSA-N 0 3 360.458 2.874 20 5 FFBDHN C[C@H]1CN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CCN(C2CCC2)C1 ZINC000295454960 511411832 /nfs/dbraw/zinc/41/18/32/511411832.db2.gz PKEFJTNHJSTISB-OAHLLOKOSA-N 0 3 373.453 2.891 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2CN(C)C)c1 ZINC000283560024 511414662 /nfs/dbraw/zinc/41/46/62/511414662.db2.gz UUAFERNQZVHIFN-UHFFFAOYSA-N 0 3 357.410 2.985 20 5 FFBDHN CN(C)CCOc1ccccc1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000283620255 511437530 /nfs/dbraw/zinc/43/75/30/511437530.db2.gz OFBVRUGEMNMQJS-UHFFFAOYSA-N 0 3 371.437 2.850 20 5 FFBDHN CN1CCC2(CC1)C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccccc1O2 ZINC000298953370 511463102 /nfs/dbraw/zinc/46/31/02/511463102.db2.gz UXYKJVXRLSNIPO-HNNXBMFYSA-N 0 3 370.409 2.641 20 5 FFBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000272245942 511479026 /nfs/dbraw/zinc/47/90/26/511479026.db2.gz YHWHTTZTYLQTTB-GFCCVEGCSA-N 0 3 353.850 2.979 20 5 FFBDHN C[C@@H]1C[C@@H](c2cccnc2)N(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000365588062 511546042 /nfs/dbraw/zinc/54/60/42/511546042.db2.gz UENKQNZMYJPZRG-KYJSFNMBSA-N 0 3 357.410 2.813 20 5 FFBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](CO)c1ccc(Cl)cc1 ZINC000296409049 511731483 /nfs/dbraw/zinc/73/14/83/511731483.db2.gz UHUOLXWVMOWHSJ-SJORKVTESA-N 0 3 350.802 2.947 20 5 FFBDHN O=C(CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000296435738 511742345 /nfs/dbraw/zinc/74/23/45/511742345.db2.gz WIZYIDBOEZJFPW-HFBAOOFYSA-N 0 3 365.817 2.734 20 5 FFBDHN C[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCN(C2CC2)C1 ZINC000296715266 511866879 /nfs/dbraw/zinc/86/68/79/511866879.db2.gz MKEOIGBTRNTUCP-CYBMUJFWSA-N 0 3 357.414 2.561 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293353974 511935012 /nfs/dbraw/zinc/93/50/12/511935012.db2.gz KXMZRIYPIUGQTA-XPTSAGLGSA-N 0 3 357.332 2.826 20 5 FFBDHN Cc1cc(N2CCN([C@H]3CCCN(C)C3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000364112862 511965400 /nfs/dbraw/zinc/96/54/00/511965400.db2.gz WTSKJQJEXWQKQF-INIZCTEOSA-N 0 3 369.469 2.668 20 5 FFBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000293697116 512055338 /nfs/dbraw/zinc/05/53/38/512055338.db2.gz MYQQGYANNGFEEG-CQSZACIVSA-N 0 3 361.442 2.940 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000364404780 512106886 /nfs/dbraw/zinc/10/68/86/512106886.db2.gz PCFCPYZMRVSISL-RHSMWYFYSA-N 0 3 354.410 2.630 20 5 FFBDHN CC(C)(CN1CCCC1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000411084440 512464155 /nfs/dbraw/zinc/46/41/55/512464155.db2.gz IBZVJXLVMAMSHO-UHFFFAOYSA-N 0 3 370.247 2.962 20 5 FFBDHN CCOc1cc(C(=O)NC(C)(C)CN2CCCC2)c([N+](=O)[O-])cc1OC ZINC000411090036 512465377 /nfs/dbraw/zinc/46/53/77/512465377.db2.gz XTCJLKAXERLUKA-UHFFFAOYSA-N 0 3 365.430 2.606 20 5 FFBDHN C[C@@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000367433950 512496439 /nfs/dbraw/zinc/49/64/39/512496439.db2.gz BZNBPLFLHGEUIS-HIFRSBDPSA-N 0 3 352.866 2.710 20 5 FFBDHN CC[C@H](NCCC(=O)Nc1ccc(C(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000411476762 512654499 /nfs/dbraw/zinc/65/44/99/512654499.db2.gz QHCSJBVBLMNZJO-KRWDZBQOSA-N 0 3 370.409 2.763 20 5 FFBDHN CN1CCC2(CCCN2C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000374301104 512753910 /nfs/dbraw/zinc/75/39/10/512753910.db2.gz HUFNLYVRIMEMNB-UHFFFAOYSA-N 0 3 358.442 2.870 20 5 FFBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1N1CCN(C)CC1 ZINC000374308240 512758150 /nfs/dbraw/zinc/75/81/50/512758150.db2.gz FPYAXOYVAINOPD-XJKSGUPXSA-N 0 3 352.866 2.710 20 5 FFBDHN C[C@@H]1[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CCN1Cc1ccccc1 ZINC000382009667 512876370 /nfs/dbraw/zinc/87/63/70/512876370.db2.gz MTXQVNILKBBGJS-CZUORRHYSA-N 0 3 354.410 2.570 20 5 FFBDHN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000374778528 512998621 /nfs/dbraw/zinc/99/86/21/512998621.db2.gz JYMWLWAAWLTTOD-IHBAFOEMSA-N 0 3 356.426 2.772 20 5 FFBDHN CN(C)CCN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412216262 513000044 /nfs/dbraw/zinc/00/00/44/513000044.db2.gz WQXKLFHDELZTQV-RBUKOAKNSA-N 0 3 368.437 2.684 20 5 FFBDHN Cc1ccc([C@@H](C)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)cc1[N+](=O)[O-] ZINC000370636640 513026200 /nfs/dbraw/zinc/02/62/00/513026200.db2.gz SAGGRCATVZYJQD-GDBMZVCRSA-N 0 3 368.437 2.932 20 5 FFBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000429001791 513247736 /nfs/dbraw/zinc/24/77/36/513247736.db2.gz WZHFBRAJVKXBPV-BASYENTBSA-N 0 3 360.458 2.584 20 5 FFBDHN CO[C@@H](Cc1ccccc1)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450561485 513252530 /nfs/dbraw/zinc/25/25/30/513252530.db2.gz FWHODNXLEFAXHT-WMZOPIPTSA-N 0 3 356.426 2.734 20 5 FFBDHN CCCCN1CCCC[C@H]1CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000434179933 513256655 /nfs/dbraw/zinc/25/66/55/513256655.db2.gz ACJPQMYKJDAQLI-ZDUSSCGKSA-N 0 3 351.451 2.826 20 5 FFBDHN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccc2c(c1)CNC2 ZINC000417980534 513314803 /nfs/dbraw/zinc/31/48/03/513314803.db2.gz BFQYPGFYLWHMPG-UHFFFAOYSA-N 0 3 374.828 2.893 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc([C@H](C)[NH3+])cc2)cc1C ZINC000440427913 513320163 /nfs/dbraw/zinc/32/01/63/513320163.db2.gz OTSVLUDWBDREAS-ZDUSSCGKSA-N 0 3 363.439 2.710 20 5 FFBDHN CCOc1ccc(OCCN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000440497876 513335522 /nfs/dbraw/zinc/33/55/22/513335522.db2.gz WHLOURURHVPGEX-HNNXBMFYSA-N 0 3 372.425 2.954 20 5 FFBDHN CC(C)N1CCC[C@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000450929606 513408772 /nfs/dbraw/zinc/40/87/72/513408772.db2.gz JTPCYRBSABCEMH-AWEZNQCLSA-N 0 3 357.414 2.588 20 5 FFBDHN C[C@H](c1ccncc1)N1CCC(Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000425242194 513471026 /nfs/dbraw/zinc/47/10/26/513471026.db2.gz RLDUYKHPONCMKW-CYBMUJFWSA-N 0 3 369.425 2.726 20 5 FFBDHN CN(C)C(=O)c1cccc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447525655 513497418 /nfs/dbraw/zinc/49/74/18/513497418.db2.gz APYAOYUBEWODKV-IRXDYDNUSA-N 0 3 371.441 2.767 20 5 FFBDHN CS[C@@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000425426816 513560571 /nfs/dbraw/zinc/56/05/71/513560571.db2.gz WUVULMZUNHEEQW-UONOGXRCSA-N 0 3 374.304 2.835 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H](C1CCOCC1)C1(CO)CCC1 ZINC000425536680 513626158 /nfs/dbraw/zinc/62/61/58/513626158.db2.gz HGFMKAFEAQBQNS-SFHVURJKSA-N 0 3 364.442 2.651 20 5 FFBDHN COc1ccc(OCCN2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000451339696 513686026 /nfs/dbraw/zinc/68/60/26/513686026.db2.gz IWEKXYVQTYSJTD-NUJGCVRESA-N 0 3 364.442 2.998 20 5 FFBDHN N[C@H](CC1CCCCC1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000448550862 513780195 /nfs/dbraw/zinc/78/01/95/513780195.db2.gz ZSICYHWQJGODGX-MRXNPFEDSA-N 0 3 360.458 2.541 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCSC[C@H]2C2CCC2)c1 ZINC000419363173 513789105 /nfs/dbraw/zinc/78/91/05/513789105.db2.gz OPPSIOBOAPLGPR-WBVHZDCISA-N 0 3 352.456 2.552 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCSC[C@H]1C1CC1 ZINC000451656568 513893638 /nfs/dbraw/zinc/89/36/38/513893638.db2.gz UIHAPHHOYIBCBN-HNNXBMFYSA-N 0 3 365.455 2.759 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)C(C)(C)CN2CCCC2)c1 ZINC000416665933 513896760 /nfs/dbraw/zinc/89/67/60/513896760.db2.gz VTBFFYDQUAYMKI-UHFFFAOYSA-N 0 3 369.487 2.707 20 5 FFBDHN CO[C@@H]([C@@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000414181289 513999598 /nfs/dbraw/zinc/99/95/98/513999598.db2.gz LYDIPUINLURQIN-FTGAXOIBSA-N 0 3 355.822 2.978 20 5 FFBDHN NCc1cn([C@@H]2CCCN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C2)nn1 ZINC000420277246 514068909 /nfs/dbraw/zinc/06/89/09/514068909.db2.gz HQIFAWKMQMEGRM-LLVKDONJSA-N 0 3 371.228 2.793 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCCN(c2cc(C)nn2C)C1 ZINC000444005876 514098170 /nfs/dbraw/zinc/09/81/70/514098170.db2.gz UGDVELKDLLKIQI-INIZCTEOSA-N 0 3 373.457 2.794 20 5 FFBDHN CCN(CC)CCNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000432124243 514100305 /nfs/dbraw/zinc/10/03/05/514100305.db2.gz YSQHAZUGDVEHOK-UHFFFAOYSA-N 0 3 365.821 2.548 20 5 FFBDHN Cc1c(NC(=O)CCN2CCNC[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000420402722 514132857 /nfs/dbraw/zinc/13/28/57/514132857.db2.gz KJRGSDPZZMUPPS-IBGZPJMESA-N 0 3 368.437 2.878 20 5 FFBDHN O=C(CN1CCNC[C@H]1c1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420403176 514133127 /nfs/dbraw/zinc/13/31/27/514133127.db2.gz KTGZLZOPRIGIGD-KRWDZBQOSA-N 0 3 374.828 2.833 20 5 FFBDHN O=C(CCN1CCNC[C@H]1c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000420421202 514142179 /nfs/dbraw/zinc/14/21/79/514142179.db2.gz YNGIUAJLUVWUNE-SFHVURJKSA-N 0 3 354.410 2.570 20 5 FFBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](CO)c1ccc(F)cc1 ZINC000449380422 514187739 /nfs/dbraw/zinc/18/77/39/514187739.db2.gz MYKBKWUCEVSROG-PXAZEXFGSA-N 0 3 361.373 2.774 20 5 FFBDHN CC1(C)CCCN(CCNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000444616214 514274374 /nfs/dbraw/zinc/27/43/74/514274374.db2.gz CDVDPERGTFXJLC-UHFFFAOYSA-N 0 3 371.441 2.632 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@H]1CCCS(=O)(=O)C1)CCCC2 ZINC000417331612 514297582 /nfs/dbraw/zinc/29/75/82/514297582.db2.gz MOWWACYZSMBJAO-DYVFJYSZSA-N 0 3 352.456 2.777 20 5 FFBDHN CS(=O)(=O)C1(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000417330250 514298198 /nfs/dbraw/zinc/29/81/98/514298198.db2.gz KJZGRLDWLAWGEY-MRXNPFEDSA-N 0 3 352.456 2.919 20 5 FFBDHN CCc1ccccc1[C@@H](N)CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000423988283 514323681 /nfs/dbraw/zinc/32/36/81/514323681.db2.gz XHLXCOXLDQCWKX-INIZCTEOSA-N 0 3 356.426 2.775 20 5 FFBDHN Cn1ccnc1[C@H](NCCN1CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000449783458 514352245 /nfs/dbraw/zinc/35/22/45/514352245.db2.gz PFRHCXROBSNEFI-QGZVFWFLSA-N 0 3 357.458 2.882 20 5 FFBDHN CC(C)OC[C@@H](CO)N(C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000433144827 514398423 /nfs/dbraw/zinc/39/84/23/514398423.db2.gz DLQHQMJSACDSTE-MRXNPFEDSA-N 0 3 363.414 2.510 20 5 FFBDHN CCc1ccccc1[C@@H](N)CNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000415063436 514423778 /nfs/dbraw/zinc/42/37/78/514423778.db2.gz IALDYGYZRGTPOJ-INIZCTEOSA-N 0 3 359.426 2.964 20 5 FFBDHN CC[C@H]1CCCCN1CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000445135658 514424147 /nfs/dbraw/zinc/42/41/47/514424147.db2.gz LRWOPIYREKXXLG-ZDUSSCGKSA-N 0 3 374.445 2.535 20 5 FFBDHN Cc1cc([C@H](C)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000453082965 514538970 /nfs/dbraw/zinc/53/89/70/514538970.db2.gz JBQKYUCHQZCGCP-LBPRGKRZSA-N 0 3 369.468 2.594 20 5 FFBDHN COC(=O)Cc1ccc(NC[C@@H](Cc2ccccc2)N(C)C)c([N+](=O)[O-])c1 ZINC000450218961 514548942 /nfs/dbraw/zinc/54/89/42/514548942.db2.gz ZKHDITGPCWKSPZ-QGZVFWFLSA-N 0 3 371.437 2.895 20 5 FFBDHN Cc1ccc(S(=O)(=O)N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000470615179 514549425 /nfs/dbraw/zinc/54/94/25/514549425.db2.gz USRMEGASIZINGR-SOUVJXGZSA-N 0 3 369.487 2.548 20 5 FFBDHN CC(C)N1CCC[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000470693023 514576799 /nfs/dbraw/zinc/57/67/99/514576799.db2.gz JOPHYEAOMPPZPI-INIZCTEOSA-N 0 3 360.458 2.798 20 5 FFBDHN C[C@H](NCCn1cc(Br)ccc1=O)c1cccc([N+](=O)[O-])c1 ZINC000453257129 514581348 /nfs/dbraw/zinc/58/13/48/514581348.db2.gz UUTHXZHEUBNDJN-NSHDSACASA-N 0 3 366.215 2.870 20 5 FFBDHN COC1CCN(C2(CNC(=O)c3ccc([N+](=O)[O-])s3)CCCC2)CC1 ZINC000502487300 514666917 /nfs/dbraw/zinc/66/69/17/514666917.db2.gz OKHRPGBEEVICRV-UHFFFAOYSA-N 0 3 367.471 2.810 20 5 FFBDHN CN(C(=O)CN[C@@H]1CCCC[C@H]1OC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000502565452 514697688 /nfs/dbraw/zinc/69/76/88/514697688.db2.gz MFONRZBZMCWCOH-ZIAGYGMSSA-N 0 3 357.357 2.698 20 5 FFBDHN C[C@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCCC[C@H]1C ZINC000479858257 514746587 /nfs/dbraw/zinc/74/65/87/514746587.db2.gz AUXVGQIPCCVPKS-HUUCEWRRSA-N 0 3 371.441 2.773 20 5 FFBDHN Cc1cccc(CN(C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)n1 ZINC000471192505 514790885 /nfs/dbraw/zinc/79/08/85/514790885.db2.gz WCWSBUXSGCARLU-UHFFFAOYSA-N 0 3 356.382 2.728 20 5 FFBDHN CNc1nc(C(=O)N[C@@H](C)[C@H](c2ccccc2C)N(C)C)ccc1[N+](=O)[O-] ZINC000456025433 514911258 /nfs/dbraw/zinc/91/12/58/514911258.db2.gz MIGNXTKBQYQXDB-SUMWQHHRSA-N 0 3 371.441 2.761 20 5 FFBDHN CN(C)CCO[C@@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000485415890 515032040 /nfs/dbraw/zinc/03/20/40/515032040.db2.gz MZQPVWGLIJOMBW-MRXNPFEDSA-N 0 3 374.416 2.953 20 5 FFBDHN CCOC(=O)[C@]1(COC)CCCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000467550645 515046264 /nfs/dbraw/zinc/04/62/64/515046264.db2.gz MCTQQWJCVGCQES-GOSISDBHSA-N 0 3 350.415 2.695 20 5 FFBDHN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CCN1C ZINC000462480372 515075219 /nfs/dbraw/zinc/07/52/19/515075219.db2.gz LUIANQHGYDWVFD-GDBMZVCRSA-N 0 3 356.426 2.885 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000467709060 515088824 /nfs/dbraw/zinc/08/88/24/515088824.db2.gz PCGGWMPECNXEMH-SUNKGSAMSA-N 0 3 367.833 2.614 20 5 FFBDHN C[C@@H](N[C@@H](C)CN1CCN(c2ccccn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000467855908 515147867 /nfs/dbraw/zinc/14/78/67/515147867.db2.gz OIDJVVUBUVOKRO-DLBZAZTESA-N 0 3 369.469 2.851 20 5 FFBDHN COc1cnccc1N1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000481040199 515183385 /nfs/dbraw/zinc/18/33/85/515183385.db2.gz SFHRTOKHHMDZGY-UHFFFAOYSA-N 0 3 365.393 2.873 20 5 FFBDHN CCCCOCCN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000481177575 515236824 /nfs/dbraw/zinc/23/68/24/515236824.db2.gz NRWPSWAXIZRVLY-UHFFFAOYSA-N 0 3 361.446 2.800 20 5 FFBDHN CC(C)[C@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)N1CCN(C)CC1 ZINC000462920557 515299878 /nfs/dbraw/zinc/29/98/78/515299878.db2.gz ZVJRWRJUKSYDOA-HNNXBMFYSA-N 0 3 372.416 2.880 20 5 FFBDHN CNc1c(C(=O)Nc2ccc(OCCN(C)C)cc2)cccc1[N+](=O)[O-] ZINC000462930620 515305537 /nfs/dbraw/zinc/30/55/37/515305537.db2.gz JVGSXIRBMSJLFN-UHFFFAOYSA-N 0 3 358.398 2.829 20 5 FFBDHN C[C@@H]1COCCN1CCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000491069543 515368954 /nfs/dbraw/zinc/36/89/54/515368954.db2.gz YEADQQSUPUSEQR-OXQOHEQNSA-N 0 3 355.438 2.995 20 5 FFBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000468490456 515386464 /nfs/dbraw/zinc/38/64/64/515386464.db2.gz ZXTBTQNSHCLIJL-OAHLLOKOSA-N 0 3 374.445 2.528 20 5 FFBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)n1 ZINC000510552386 515583058 /nfs/dbraw/zinc/58/30/58/515583058.db2.gz QGQOCBZFYQATLN-CXAGYDPISA-N 0 3 359.430 2.541 20 5 FFBDHN C[C@H](N[C@@H]1CCC[C@]1(C)CO)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000493526130 515638543 /nfs/dbraw/zinc/63/85/43/515638543.db2.gz MTLGHWFUDHJMBA-DRZCJDIDSA-N 0 3 355.822 2.716 20 5 FFBDHN CCOc1cc(CN[C@]2(CO)C[C@H](OCC)C2(C)C)ccc1[N+](=O)[O-] ZINC000493570919 515644262 /nfs/dbraw/zinc/64/42/62/515644262.db2.gz CWFNLAWEQIVPRI-WMZOPIPTSA-N 0 3 352.431 2.649 20 5 FFBDHN C[C@H](CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)N(C)C1CC1 ZINC000454659706 515647188 /nfs/dbraw/zinc/64/71/88/515647188.db2.gz RPXDXEZGWYFQDH-GDBMZVCRSA-N 0 3 360.458 2.967 20 5 FFBDHN CC(C)c1ccc(C(=O)N2CCC(OCCN(C)C)CC2)cc1[N+](=O)[O-] ZINC000473528760 515648067 /nfs/dbraw/zinc/64/80/67/515648067.db2.gz UYNNDQPOFHRKDF-UHFFFAOYSA-N 0 3 363.458 2.901 20 5 FFBDHN COc1ccc(NC(=O)CCN[C@@H](C)c2cncc(F)c2)c([N+](=O)[O-])c1 ZINC000459624420 515705327 /nfs/dbraw/zinc/70/53/27/515705327.db2.gz UUJAUMTXFVXKCZ-NSHDSACASA-N 0 3 362.361 2.817 20 5 FFBDHN COc1cccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000494036220 515716285 /nfs/dbraw/zinc/71/62/85/515716285.db2.gz DEZNCQOWQQNQJD-RHSMWYFYSA-N 0 3 369.421 2.996 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCCc1nnnn1-c1ccccc1)CCC2 ZINC000511013658 515746017 /nfs/dbraw/zinc/74/60/17/515746017.db2.gz QQNSIJNAMLNMIR-GOSISDBHSA-N 0 3 364.409 2.780 20 5 FFBDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)c1c(N)cccc1[N+](=O)[O-])N(C)C ZINC000487438970 515861261 /nfs/dbraw/zinc/86/12/61/515861261.db2.gz JIODUNJWLINCEN-UGSOOPFHSA-N 0 3 356.426 2.907 20 5 FFBDHN C[C@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000511368534 515879928 /nfs/dbraw/zinc/87/99/28/515879928.db2.gz FKXGSKGPWJMMND-ZDUSSCGKSA-N 0 3 369.425 2.622 20 5 FFBDHN Cc1cc(N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)ncc1[N+](=O)[O-] ZINC000474152233 515908178 /nfs/dbraw/zinc/90/81/78/515908178.db2.gz TZWLQGASRSYUCW-IAGOWNOFSA-N 0 3 356.426 2.593 20 5 FFBDHN CN1CCC[C@@H]1CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501080023 515971001 /nfs/dbraw/zinc/97/10/01/515971001.db2.gz BPFWFSSPSJYFCE-LLVKDONJSA-N 0 3 357.208 2.573 20 5 FFBDHN C[C@@H](NCCCCN1C(=O)NC2(CCCC2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000478910803 516004617 /nfs/dbraw/zinc/00/46/17/516004617.db2.gz NPBQWHWYXNEAEQ-CQSZACIVSA-N 0 3 374.441 2.890 20 5 FFBDHN COC(=O)COc1ccc(CN[C@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000474347625 516004747 /nfs/dbraw/zinc/00/47/47/516004747.db2.gz SSIKHEYECGDWMU-LBPRGKRZSA-N 0 3 358.341 2.814 20 5 FFBDHN CC1(C)[C@@H](C(F)(F)F)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000469996612 516067432 /nfs/dbraw/zinc/06/74/32/516067432.db2.gz PBASSNOBLMKARE-OCCSQVGLSA-N 0 3 362.348 2.997 20 5 FFBDHN NC[C@@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000479135626 516072155 /nfs/dbraw/zinc/07/21/55/516072155.db2.gz WRDAAABZMFUZOR-GOSISDBHSA-N 0 3 359.401 2.915 20 5 FFBDHN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCCN(CCCc2ccccc2)CC1 ZINC000507103095 516090519 /nfs/dbraw/zinc/09/05/19/516090519.db2.gz MOQZUBJYWCADLB-UHFFFAOYSA-N 0 3 356.426 2.704 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CCN(C)C1CC1 ZINC000474568727 516097790 /nfs/dbraw/zinc/09/77/90/516097790.db2.gz RWKQYDSCIWUHLV-NSHDSACASA-N 0 3 355.822 2.568 20 5 FFBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000470170584 516161257 /nfs/dbraw/zinc/16/12/57/516161257.db2.gz XLDKBAZJJWKQKN-XSVZSIDJSA-N 0 3 373.453 2.569 20 5 FFBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000495580628 516191004 /nfs/dbraw/zinc/19/10/04/516191004.db2.gz LSMUSAXHJWCYRM-DZGCQCFKSA-N 0 3 369.512 2.824 20 5 FFBDHN C[C@@H]1C[C@@H]1N1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H](C)C1 ZINC000488715900 516293104 /nfs/dbraw/zinc/29/31/04/516293104.db2.gz BRBPHCLHAMHVMF-ZENOOKHLSA-N 0 3 357.414 2.811 20 5 FFBDHN C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCN(C2CCC2)C1 ZINC000488760726 516302373 /nfs/dbraw/zinc/30/23/73/516302373.db2.gz FGXOLRRXJCPCPH-ZDUSSCGKSA-N 0 3 357.414 2.955 20 5 FFBDHN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000497401300 516320068 /nfs/dbraw/zinc/32/00/68/516320068.db2.gz ZBLNGMAUZWOIOI-PKOBYXMFSA-N 0 3 364.405 2.904 20 5 FFBDHN CCN1C[C@@H](C)N(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C[C@@H]1C ZINC000497558324 516326367 /nfs/dbraw/zinc/32/63/67/516326367.db2.gz NZNYULTUHCWNQF-LSDHHAIUSA-N 0 3 360.458 2.750 20 5 FFBDHN C[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])N1CCCC1 ZINC000531190291 516338464 /nfs/dbraw/zinc/33/84/64/516338464.db2.gz IUFZHTZZWFYYFE-SNVBAGLBSA-N 0 3 356.220 2.571 20 5 FFBDHN COc1ccc(CNC(=O)N[C@H](C)CN2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000517738097 516433170 /nfs/dbraw/zinc/43/31/70/516433170.db2.gz WGEZANITQNMRIB-UONOGXRCSA-N 0 3 364.446 2.523 20 5 FFBDHN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NCc2cccc([N+](=O)[O-])c2)s1 ZINC000513074479 516462635 /nfs/dbraw/zinc/46/26/35/516462635.db2.gz HHIDDVNAGSHFIV-GHMZBOCLSA-N 0 3 363.443 2.762 20 5 FFBDHN C[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000513211578 516524543 /nfs/dbraw/zinc/52/45/43/516524543.db2.gz YEEPHBYMKCZABA-DOMZBBRYSA-N 0 3 356.382 2.562 20 5 FFBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@@H](C)C1 ZINC000558027892 516560009 /nfs/dbraw/zinc/56/00/09/516560009.db2.gz XFFMFBWSWPJWAP-QMTMVMCOSA-N 0 3 370.453 2.738 20 5 FFBDHN CN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CN2CCC1CC2 ZINC000523954178 516617376 /nfs/dbraw/zinc/61/73/76/516617376.db2.gz QKJFDDFVZLSHCU-OAHLLOKOSA-N 0 3 367.833 2.570 20 5 FFBDHN CCN(CCN1CCCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000561547317 516645944 /nfs/dbraw/zinc/64/59/44/516645944.db2.gz OXKBQHITINAKTB-UHFFFAOYSA-N 0 3 369.487 2.790 20 5 FFBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000561746993 516745403 /nfs/dbraw/zinc/74/54/03/516745403.db2.gz QTPOWGAQKYPWDL-FCEWJHQRSA-N 0 3 374.485 2.976 20 5 FFBDHN CCO[C@H]1C[C@@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C1(CC)CC ZINC000536426727 516759203 /nfs/dbraw/zinc/75/92/03/516759203.db2.gz OYUBRDZAQUSDQY-CVEARBPZSA-N 0 3 351.447 2.672 20 5 FFBDHN C[C@@H](NCCOc1ccc(S(C)(=O)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000532231613 516866202 /nfs/dbraw/zinc/86/62/02/516866202.db2.gz XCYDDUBWRXAKJX-CYBMUJFWSA-N 0 3 364.423 2.728 20 5 FFBDHN Cn1ccnc1[C@@H](NC1CCN(C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000514105540 516866832 /nfs/dbraw/zinc/86/68/32/516866832.db2.gz RTPYMAOMWLOOLQ-SFHVURJKSA-N 0 3 355.442 2.634 20 5 FFBDHN O=C1C[C@]2(CN1)CCCN(Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000536659631 516879352 /nfs/dbraw/zinc/87/93/52/516879352.db2.gz DFHPIUKEVFIEIK-IBGZPJMESA-N 0 3 355.394 2.957 20 5 FFBDHN CN(C)CCOc1cccc(-c2noc(-c3ccc([N+](=O)[O-])cn3)n2)c1 ZINC000544757983 516913896 /nfs/dbraw/zinc/91/38/96/516913896.db2.gz SBXDZPFCJXTFIG-UHFFFAOYSA-N 0 3 355.354 2.647 20 5 FFBDHN Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)N2CCCC2)cc1 ZINC000532394544 516950991 /nfs/dbraw/zinc/95/09/91/516950991.db2.gz QQWIHQSCRBPPII-SFHVURJKSA-N 0 3 354.410 2.865 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000541314437 516982552 /nfs/dbraw/zinc/98/25/52/516982552.db2.gz FNWUOFVLXCSKGH-ZIAGYGMSSA-N 0 3 364.446 2.666 20 5 FFBDHN CN1CC=C(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000537238647 517102953 /nfs/dbraw/zinc/10/29/53/517102953.db2.gz YJJNUMXYEUEEIX-UHFFFAOYSA-N 0 3 373.331 2.528 20 5 FFBDHN Cn1cc([C@@H]2CN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000555880038 517163822 /nfs/dbraw/zinc/16/38/22/517163822.db2.gz IEWPLZPDWLHSIM-HNNXBMFYSA-N 0 3 371.441 2.783 20 5 FFBDHN CC[C@@H](Cc1ccccc1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541740281 517195546 /nfs/dbraw/zinc/19/55/46/517195546.db2.gz KJDSVNFAWOTXEW-INIZCTEOSA-N 0 3 362.451 2.979 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCCCN2CCCC[C@H]2C)c1 ZINC000541820585 517232138 /nfs/dbraw/zinc/23/21/38/517232138.db2.gz FWCXNYQXPYIPLK-CQSZACIVSA-N 0 3 369.487 2.754 20 5 FFBDHN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCCN1CCCCC1 ZINC000541851509 517251132 /nfs/dbraw/zinc/25/11/32/517251132.db2.gz FXNHKEJGHLXECM-UHFFFAOYSA-N 0 3 354.838 2.576 20 5 FFBDHN CN(C)CCOc1cnccc1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000515326223 517297938 /nfs/dbraw/zinc/29/79/38/517297938.db2.gz XGFYGJOXTYZCAK-UHFFFAOYSA-N 0 3 351.794 2.591 20 5 FFBDHN CC(C)Oc1ccc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000515326582 517299488 /nfs/dbraw/zinc/29/94/88/517299488.db2.gz HRSQAEOSFBUOEM-MRXNPFEDSA-N 0 3 360.410 2.912 20 5 FFBDHN C[C@H](COc1cccc(F)c1)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000515466838 517362338 /nfs/dbraw/zinc/36/23/38/517362338.db2.gz AAMXDFQBFFHBQG-CZUORRHYSA-N 0 3 364.373 2.531 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000520441906 517394861 /nfs/dbraw/zinc/39/48/61/517394861.db2.gz BYUVFUPLCGZVRE-GUYCJALGSA-N 0 3 354.410 2.626 20 5 FFBDHN COc1ccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])cc1Cl ZINC000520797962 517515688 /nfs/dbraw/zinc/51/56/88/517515688.db2.gz MFSCHKHREJQEIZ-ZDUSSCGKSA-N 0 3 366.801 2.786 20 5 FFBDHN CC(C)(C)CCN1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000516003289 517536054 /nfs/dbraw/zinc/53/60/54/517536054.db2.gz CYBOYZAITVWRJY-UHFFFAOYSA-N 0 3 362.474 2.977 20 5 FFBDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000560249939 517658624 /nfs/dbraw/zinc/65/86/24/517658624.db2.gz NOJLLTSXBLCKKC-GOSISDBHSA-N 0 3 357.410 2.945 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(OCCN(C)C)c2)c1 ZINC000516319302 517659493 /nfs/dbraw/zinc/65/94/93/517659493.db2.gz FAGGDJHQXRPSQP-UHFFFAOYSA-N 0 3 359.382 2.796 20 5 FFBDHN CC(=O)NCCN(Cc1ccc([N+](=O)[O-])cc1C)C1CCSCC1 ZINC000549851636 517745664 /nfs/dbraw/zinc/74/56/64/517745664.db2.gz BUYZLZAKKMACHO-UHFFFAOYSA-N 0 3 351.472 2.737 20 5 FFBDHN CN(CCCN(C)C(=O)Cc1cccc([N+](=O)[O-])c1)Cc1ccncc1 ZINC000556933745 517757584 /nfs/dbraw/zinc/75/75/84/517757584.db2.gz LNIJUDFMTNAMAE-UHFFFAOYSA-N 0 3 356.426 2.513 20 5 FFBDHN O=C1[C@H](N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000549920085 517781932 /nfs/dbraw/zinc/78/19/32/517781932.db2.gz PHFCICVHZVRKJG-BSDSXHPESA-N 0 3 371.437 2.637 20 5 FFBDHN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCCN(CC2CCC2)CC1 ZINC000563391970 517875904 /nfs/dbraw/zinc/87/59/04/517875904.db2.gz CVXXPFJLJQOEFB-UHFFFAOYSA-N 0 3 361.442 2.698 20 5 FFBDHN CC1=CCN(CCNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000547285871 518058415 /nfs/dbraw/zinc/05/84/15/518058415.db2.gz JOZGASXTDMJVSH-UHFFFAOYSA-N 0 3 355.442 2.737 20 5 FFBDHN CNc1ccc(C(=O)Nc2cc(C)nn2C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000530952326 518065050 /nfs/dbraw/zinc/06/50/50/518065050.db2.gz WHCOLJGYIAKCBA-UHFFFAOYSA-N 0 3 372.429 2.660 20 5 FFBDHN CN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000531062785 518122847 /nfs/dbraw/zinc/12/28/47/518122847.db2.gz IBDLHLXCWCBLCY-INIZCTEOSA-N 0 3 356.426 2.670 20 5 FFBDHN CN(C)CCOc1cnccc1CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000584195034 518223205 /nfs/dbraw/zinc/22/32/05/518223205.db2.gz KDFZBJVFLUSXHV-FNORWQNLSA-N 0 3 356.426 2.733 20 5 FFBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000566836451 518223788 /nfs/dbraw/zinc/22/37/88/518223788.db2.gz KBDIYFSTHWUJIU-KRWDZBQOSA-N 0 3 360.458 2.783 20 5 FFBDHN Cc1cc(NC[C@H]2CCC3(CCOCC3)[C@H]2O)c2cc([N+](=O)[O-])ccc2n1 ZINC000575884597 518328751 /nfs/dbraw/zinc/32/87/51/518328751.db2.gz LUTFQMPMCDAJAE-KUHUBIRLSA-N 0 3 371.437 2.853 20 5 FFBDHN CC(C)(CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000572751937 518346138 /nfs/dbraw/zinc/34/61/38/518346138.db2.gz WLIWZNUPKKPERR-UHFFFAOYSA-N 0 3 368.480 2.997 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCC2Cc3ccccc3C2)cc1 ZINC000575981273 518372014 /nfs/dbraw/zinc/37/20/14/518372014.db2.gz DHIHNGHTXPFNJF-UHFFFAOYSA-N 0 3 374.462 2.763 20 5 FFBDHN CNC(=O)[C@@H](CNCc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1C ZINC000570161071 518471640 /nfs/dbraw/zinc/47/16/40/518471640.db2.gz QDTFRXCNEMWVBL-MRXNPFEDSA-N 0 3 359.401 2.737 20 5 FFBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCCN(C)Cc1ccco1 ZINC000570267152 518524719 /nfs/dbraw/zinc/52/47/19/518524719.db2.gz IUOKIMWHBGJRGY-OAHLLOKOSA-N 0 3 374.441 2.969 20 5 FFBDHN CC(C)COC[C@@H](O)CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000581998487 518539606 /nfs/dbraw/zinc/53/96/06/518539606.db2.gz LHQACVLWRYJNMB-AWEZNQCLSA-N 0 3 350.337 2.737 20 5 FFBDHN CC(C)Oc1cc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])ccn1 ZINC000576577501 518659300 /nfs/dbraw/zinc/65/93/00/518659300.db2.gz WLBCQGNGNGKLOF-UHFFFAOYSA-N 0 3 358.398 2.895 20 5 FFBDHN C[C@@H](COc1cccc(F)c1)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570675630 518725846 /nfs/dbraw/zinc/72/58/46/518725846.db2.gz PRYOFAGWJFRLKP-ZFWWWQNUSA-N 0 3 364.373 2.531 20 5 FFBDHN C[C@@H]1COCCN1C1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000565170687 518822474 /nfs/dbraw/zinc/82/24/74/518822474.db2.gz JVJIBIOBXRRFHR-CYBMUJFWSA-N 0 3 353.850 2.933 20 5 FFBDHN C[C@]1(NC(=O)COc2ccccc2[N+](=O)[O-])CCN(Cc2ccccc2)C1 ZINC000568011307 518830723 /nfs/dbraw/zinc/83/07/23/518830723.db2.gz JCOQRJPOQFOKEA-FQEVSTJZSA-N 0 3 369.421 2.754 20 5 FFBDHN C[C@@H](CN(C)C)NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000582717184 518888448 /nfs/dbraw/zinc/88/84/48/518888448.db2.gz HDBVGPXEFRHIJH-AWEZNQCLSA-N 0 3 356.426 2.887 20 5 FFBDHN CCC[C@H](O)[C@@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000579936438 518928144 /nfs/dbraw/zinc/92/81/44/518928144.db2.gz RZYQNHHCPCCYIG-CVEARBPZSA-N 0 3 350.440 2.935 20 5 FFBDHN CCN(CC)[C@H](CNc1nc(C(=O)OC)ccc1[N+](=O)[O-])c1ccco1 ZINC000582803075 518929139 /nfs/dbraw/zinc/92/91/39/518929139.db2.gz SNDCQRXTGFHMMJ-CQSZACIVSA-N 0 3 362.386 2.864 20 5 FFBDHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@@H]1CN1CCCC1 ZINC000577161505 518943055 /nfs/dbraw/zinc/94/30/55/518943055.db2.gz IRNYTKDHRMLOTB-GFCCVEGCSA-N 0 3 353.369 2.502 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCN(C3CCCCC3)CC2)c1 ZINC000589494308 519016455 /nfs/dbraw/zinc/01/64/55/519016455.db2.gz NOSQNSVIELXAEC-UHFFFAOYSA-N 0 3 361.442 2.832 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(CN(C)C)cc2)c1 ZINC000571302068 519028384 /nfs/dbraw/zinc/02/83/84/519028384.db2.gz ZGJMTIHILQYITK-UHFFFAOYSA-N 0 3 357.410 2.985 20 5 FFBDHN CC(=O)N1C[C@@H]2CCC[C@@H](NCc3c(F)cc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000574236201 519053567 /nfs/dbraw/zinc/05/35/67/519053567.db2.gz SASQZYLRCNELRZ-FABXCBLPSA-N 0 3 353.369 2.610 20 5 FFBDHN C[C@H]1CN(CC2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)C[C@H](C)O1 ZINC000574257131 519065481 /nfs/dbraw/zinc/06/54/81/519065481.db2.gz XSKXBESURGMWKC-KBPBESRZSA-N 0 3 373.457 2.797 20 5 FFBDHN O=[N+]([O-])c1cnc2ccccc2c1N1CCCN(C[C@H]2CCCO2)CC1 ZINC000589859450 519095191 /nfs/dbraw/zinc/09/51/91/519095191.db2.gz HTSSCNUKXBBCAZ-OAHLLOKOSA-N 0 3 356.426 2.834 20 5 FFBDHN COc1ccc(NC(=O)CCN[C@H](CO)c2ccccc2C)c([N+](=O)[O-])c1 ZINC000577468694 519095903 /nfs/dbraw/zinc/09/59/03/519095903.db2.gz ZEZWCWZLNQJZAH-QGZVFWFLSA-N 0 3 373.409 2.564 20 5 FFBDHN COc1ncc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])cc1Cl ZINC000565945988 519211386 /nfs/dbraw/zinc/21/13/86/519211386.db2.gz CXYOTLMSCDTLMZ-UHFFFAOYSA-N 0 3 364.789 2.770 20 5 FFBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnn1CCN(C)C ZINC000590519175 519253666 /nfs/dbraw/zinc/25/36/66/519253666.db2.gz AFUUHUKKVCNNQF-HNNXBMFYSA-N 0 3 359.430 2.560 20 5 FFBDHN COc1ccc([C@@H](CNc2ccc(N)c([N+](=O)[O-])n2)N2CCCCC2)cc1 ZINC000590569936 519270431 /nfs/dbraw/zinc/27/04/31/519270431.db2.gz RLISONUJXKXMHQ-QGZVFWFLSA-N 0 3 371.441 2.642 20 5 FFBDHN CC(C)[C@H]1C[C@H](CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000590658520 519305493 /nfs/dbraw/zinc/30/54/93/519305493.db2.gz PBKRWXHJTUKXEY-CZUORRHYSA-N 0 3 350.415 2.907 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cccc2c1CCNC2 ZINC000571891747 519333163 /nfs/dbraw/zinc/33/31/63/519333163.db2.gz ZIIKBURPTFVAKJ-UHFFFAOYSA-N 0 3 356.382 2.571 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1cccc(OC(F)F)c1 ZINC000566615321 519578825 /nfs/dbraw/zinc/57/88/25/519578825.db2.gz IUZAQCYQOAXWNC-ZDUSSCGKSA-N 0 3 368.336 2.726 20 5 FFBDHN Cn1cc(CN[C@@]2(Cc3ccc(Cl)cc3)CCCOC2)c([N+](=O)[O-])n1 ZINC000602883243 519949235 /nfs/dbraw/zinc/94/92/35/519949235.db2.gz PYUNLFMCYVPLKW-QGZVFWFLSA-N 0 3 364.833 2.863 20 5 FFBDHN Cc1csc(CC2(O)CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000602891979 519955027 /nfs/dbraw/zinc/95/50/27/519955027.db2.gz GBKBQSBBPWLKIW-UHFFFAOYSA-N 0 3 361.467 2.972 20 5 FFBDHN CC1CCN(c2ccc(C(=O)N3CCNCC3(C)C)cc2[N+](=O)[O-])CC1 ZINC000591678037 519995035 /nfs/dbraw/zinc/99/50/35/519995035.db2.gz HCQPJSVCNFTNCO-UHFFFAOYSA-N 0 3 360.458 2.655 20 5 FFBDHN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC(N2CCCOCC2)CC1 ZINC000600007633 519999728 /nfs/dbraw/zinc/99/97/28/519999728.db2.gz WNHAGIXWBHGTCR-UHFFFAOYSA-N 0 3 367.833 2.575 20 5 FFBDHN O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1nnc([C@H]2CCCO2)[n-]1)C1CC1 ZINC000594513910 520010929 /nfs/dbraw/zinc/01/09/29/520010929.db2.gz UUKNJLORFHAFNU-GDBMZVCRSA-N 0 3 357.414 2.675 20 5 FFBDHN CC[C@H](NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000594519454 520012742 /nfs/dbraw/zinc/01/27/42/520012742.db2.gz KUSSKLBYOYQRLP-GOEBONIOSA-N 0 3 366.414 2.584 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCN4C[C@H](O)C[C@H]4C3)s2)cc1 ZINC000594614461 520056161 /nfs/dbraw/zinc/05/61/61/520056161.db2.gz WRGJIQLSZINCFF-JKSUJKDBSA-N 0 3 359.451 2.574 20 5 FFBDHN C[C@@H](C(=O)N1CCCN(c2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000603085080 520070850 /nfs/dbraw/zinc/07/08/50/520070850.db2.gz ZWRYHRKQIDKEDT-CQSZACIVSA-N 0 3 372.400 2.971 20 5 FFBDHN CCc1ccc([C@H](CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)N(C)C)cc1 ZINC000608811364 520135152 /nfs/dbraw/zinc/13/51/52/520135152.db2.gz NOVRHEHFZPYDKI-KRWDZBQOSA-N 0 3 373.457 2.508 20 5 FFBDHN O=C(CCN1CCc2ccc(O)cc2CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000609133377 520200920 /nfs/dbraw/zinc/20/09/20/520200920.db2.gz UHRPKPHOOURBJW-UHFFFAOYSA-N 0 3 355.394 2.730 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000595010197 520254314 /nfs/dbraw/zinc/25/43/14/520254314.db2.gz IQCMFUSZIIRDHW-UONOGXRCSA-N 0 3 357.414 2.713 20 5 FFBDHN COC1CCN(C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000609347111 520290113 /nfs/dbraw/zinc/29/01/13/520290113.db2.gz QXEZYJMONGSFKQ-UHFFFAOYSA-N 0 3 369.849 2.867 20 5 FFBDHN CCN(C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000597944071 520342871 /nfs/dbraw/zinc/34/28/71/520342871.db2.gz BXIXLWMPDLXIKQ-NVXWUHKLSA-N 0 3 374.485 2.997 20 5 FFBDHN CCN(C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000597945545 520344578 /nfs/dbraw/zinc/34/45/78/520344578.db2.gz HYFJKDQNYHKUFI-LBPRGKRZSA-N 0 3 370.247 2.832 20 5 FFBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCC[C@H](C)C1 ZINC000603756467 520355234 /nfs/dbraw/zinc/35/52/34/520355234.db2.gz QQEHUXYIZRTSEZ-KBPBESRZSA-N 0 3 351.472 2.924 20 5 FFBDHN NC(=O)c1ccccc1N1CC[C@@H](NC/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000609561737 520359022 /nfs/dbraw/zinc/35/90/22/520359022.db2.gz HACJVYJLZCKFKM-GMNBZTITSA-N 0 3 366.421 2.575 20 5 FFBDHN CCCCN1CCCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000609674923 520402623 /nfs/dbraw/zinc/40/26/23/520402623.db2.gz XNXKJMVRBOHLRV-OAHLLOKOSA-N 0 3 369.487 2.836 20 5 FFBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@@H](c2ccco2)C1 ZINC000609767259 520425508 /nfs/dbraw/zinc/42/55/08/520425508.db2.gz OQAHDGFANMPEEX-CYBMUJFWSA-N 0 3 357.366 2.975 20 5 FFBDHN CNC(=O)[C@]1(C(F)(F)F)CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000592525608 520439349 /nfs/dbraw/zinc/43/93/49/520439349.db2.gz AUBDQKHSCBLPBM-RCLKMUNOSA-N 0 3 371.359 2.999 20 5 FFBDHN C[C@H](c1ccccc1)[C@H](CO)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000613390190 520480739 /nfs/dbraw/zinc/48/07/39/520480739.db2.gz ZNSCEDMOZMZUJD-GLJUWKHASA-N 0 3 357.410 2.676 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000598196122 520487390 /nfs/dbraw/zinc/48/73/90/520487390.db2.gz ZUADRTRGMPBYCZ-QGZVFWFLSA-N 0 3 368.437 2.687 20 5 FFBDHN COc1cc(C(=O)N[C@H]2CCN(C3CCCCC3)C2)c([N+](=O)[O-])cc1F ZINC000598218079 520498949 /nfs/dbraw/zinc/49/89/49/520498949.db2.gz FDIGBFSKJPNXAJ-LBPRGKRZSA-N 0 3 365.405 2.879 20 5 FFBDHN CCCN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H]1CCN(C)C1 ZINC000592830325 520606870 /nfs/dbraw/zinc/60/68/70/520606870.db2.gz CVXXPZVDOBMGEI-KRWDZBQOSA-N 0 3 374.485 2.754 20 5 FFBDHN CC(C)c1n[nH]c(C(=O)NC[C@@H]2CN(C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000592881950 520631602 /nfs/dbraw/zinc/63/16/02/520631602.db2.gz PJWQHYZINHASHR-CABCVRRESA-N 0 3 371.441 2.517 20 5 FFBDHN Cc1c(C(=O)N2CC3(CCCC3)OC[C@H]2CN(C)C)cccc1[N+](=O)[O-] ZINC000598536788 520688063 /nfs/dbraw/zinc/68/80/63/520688063.db2.gz WVYHJAGBLGSPBW-OAHLLOKOSA-N 0 3 361.442 2.619 20 5 FFBDHN COC(=O)c1ccnc(N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000598614586 520744325 /nfs/dbraw/zinc/74/43/25/520744325.db2.gz LTOAOYBEIWCOPI-XJKSGUPXSA-N 0 3 370.409 2.709 20 5 FFBDHN Cc1ccc(S(=O)(=O)NC[C@H]2CCN(C(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000598620536 520748266 /nfs/dbraw/zinc/74/82/66/520748266.db2.gz YHWWAHNJYJVWJO-CQSZACIVSA-N 0 3 369.487 2.610 20 5 FFBDHN COc1ccc(OCCN2C[C@]34COC[C@@]3(C2)CCCC4)c([N+](=O)[O-])c1 ZINC000595908907 520813831 /nfs/dbraw/zinc/81/38/31/520813831.db2.gz JJIJIWUUSNXFPF-KDURUIRLSA-N 0 3 362.426 2.875 20 5 FFBDHN Cc1cc(C(=O)N2CC[C@H](OCCN3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000610733135 520820648 /nfs/dbraw/zinc/82/06/48/520820648.db2.gz HFTBNDFJIDEDLR-KRWDZBQOSA-N 0 3 361.442 2.620 20 5 FFBDHN Cc1c(C(=O)N2CC[C@H](OCCN3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000610733126 520820846 /nfs/dbraw/zinc/82/08/46/520820846.db2.gz AXFIGCSAVZFGNW-INIZCTEOSA-N 0 3 361.442 2.620 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CN[C@@H]1CCc3cc(O)ccc3C1)OCCO2 ZINC000618197806 520929757 /nfs/dbraw/zinc/92/97/57/520929757.db2.gz AFQSNBMSWMGQDF-OAHLLOKOSA-N 0 3 356.378 2.719 20 5 FFBDHN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CN1Cc1ccccc1 ZINC000596163475 520947654 /nfs/dbraw/zinc/94/76/54/520947654.db2.gz VMFJCWQTRWNBFJ-CZUORRHYSA-N 0 3 354.410 2.769 20 5 FFBDHN O=c1[n-]ccc(NCCc2ccc(OCC[NH+]3CCCC3)cc2)c1[N+](=O)[O-] ZINC000596185805 520959911 /nfs/dbraw/zinc/95/99/11/520959911.db2.gz RJBXJNPTUQFJPQ-UHFFFAOYSA-N 0 3 372.425 2.825 20 5 FFBDHN O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@H]1CCN1C1CCCCC1 ZINC000598994719 520968273 /nfs/dbraw/zinc/96/82/73/520968273.db2.gz HSJMIJIPZNUGBX-QGZVFWFLSA-N 0 3 360.458 2.844 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596218887 520977751 /nfs/dbraw/zinc/97/77/51/520977751.db2.gz NGNUZEYLAQDVMC-SUMWQHHRSA-N 0 3 354.410 2.626 20 5 FFBDHN O=[N+]([O-])c1ccc2[nH]c(CN3CC[C@H]4[C@H](CCCN4C4CC4)C3)nc2c1 ZINC000618288438 520983169 /nfs/dbraw/zinc/98/31/69/520983169.db2.gz PURCUXIFKJLTOG-ACJLOTCBSA-N 0 3 355.442 2.920 20 5 FFBDHN C[C@@H](CN1CCCCC1)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599057614 521005700 /nfs/dbraw/zinc/00/57/00/521005700.db2.gz QGNOYEVHWWLEJB-NSHDSACASA-N 0 3 370.247 2.962 20 5 FFBDHN CCc1nn(C)c(NCC2CCN(Cc3ccncc3)CC2)c1[N+](=O)[O-] ZINC000596439765 521071337 /nfs/dbraw/zinc/07/13/37/521071337.db2.gz FOIKGXZFTNWVAQ-UHFFFAOYSA-N 0 3 358.446 2.610 20 5 FFBDHN CC1(C)[C@H](c2cccc(F)c2)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599629784 521342576 /nfs/dbraw/zinc/34/25/76/521342576.db2.gz MHPFWEWUHGKZAV-SJORKVTESA-N 0 3 362.405 2.559 20 5 FFBDHN CCC(C)(C)N1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000594021289 521354357 /nfs/dbraw/zinc/35/43/57/521354357.db2.gz SDDNQIIXAFTEGT-KRWDZBQOSA-N 0 3 360.458 2.506 20 5 FFBDHN Cn1cc(CCCNCc2cc(Br)c([N+](=O)[O-])s2)cn1 ZINC000602526267 521395182 /nfs/dbraw/zinc/39/51/82/521395182.db2.gz GRASWSLFRNCNRD-UHFFFAOYSA-N 0 3 359.249 2.875 20 5 FFBDHN COCCN1CCC(NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602533403 521398845 /nfs/dbraw/zinc/39/88/45/521398845.db2.gz XVMIMBSAUIUZKA-UHFFFAOYSA-N 0 3 361.364 2.814 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCN1C ZINC000607688858 521430360 /nfs/dbraw/zinc/43/03/60/521430360.db2.gz YRGSADQOVQSAEQ-JKSUJKDBSA-N 0 3 363.461 2.754 20 5 FFBDHN O=C1[C@H](NCCc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccc(F)cc1 ZINC000602632471 521447192 /nfs/dbraw/zinc/44/71/92/521447192.db2.gz ULDQNSKDRHYAAU-GOSISDBHSA-N 0 3 357.385 2.667 20 5 FFBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000594198701 521465134 /nfs/dbraw/zinc/46/51/34/521465134.db2.gz VCPGVBPGRAHVAS-HZPDHXFCSA-N 0 3 369.425 2.527 20 5 FFBDHN CO[C@@H]1COCC[C@H]1CNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602674970 521472904 /nfs/dbraw/zinc/47/29/04/521472904.db2.gz IUQFYVCQJKVCIA-GZMMTYOYSA-N 0 3 365.249 2.560 20 5 FFBDHN Nc1c(NC(=O)N[C@H]2CCCN3CCCC[C@H]23)cc(Cl)cc1[N+](=O)[O-] ZINC000597091984 521498283 /nfs/dbraw/zinc/49/82/83/521498283.db2.gz HULQDHKBQILLKA-WCQYABFASA-N 0 3 367.837 2.969 20 5 FFBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@H]1CCCc2c1cnn2CCO ZINC000615720638 521511888 /nfs/dbraw/zinc/51/18/88/521511888.db2.gz ZSPPAZDICIGKBJ-MDNBWPLSSA-N 0 3 356.426 2.854 20 5 FFBDHN COCCN1CCC[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000619527046 521752453 /nfs/dbraw/zinc/75/24/53/521752453.db2.gz FUPHZHHPJJXARY-INIZCTEOSA-N 0 3 374.416 2.741 20 5 FFBDHN CN1CCC(n2ccc(=NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)[nH]2)CC1 ZINC000490006923 561424541 /nfs/dbraw/zinc/42/45/41/561424541.db2.gz UEFXNEHGTHOUFM-UHFFFAOYSA-N 0 3 371.441 2.974 20 5 FFBDHN Cc1c(CNC(=O)N=c2ccn(C3CCN(C)CC3)[nH]2)cccc1[N+](=O)[O-] ZINC000491429135 561445431 /nfs/dbraw/zinc/44/54/31/561445431.db2.gz HIYAIJUBPSVBKZ-UHFFFAOYSA-N 0 3 372.429 2.688 20 5 FFBDHN CN1CCC(n2ccc(=NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])[nH]2)CC1 ZINC000508861365 561775672 /nfs/dbraw/zinc/77/56/72/561775672.db2.gz ULMIALYPUGDSSQ-UHFFFAOYSA-N 0 3 371.441 2.974 20 5 FFBDHN Cc1ccnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164899729 721521438 /nfs/dbraw/zinc/52/14/38/721521438.db2.gz LYRBLYQERJPRDH-WBVHZDCISA-N 0 3 372.400 2.779 20 5 FFBDHN COc1ccc(CN(C)CCCNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000125230975 728680865 /nfs/dbraw/zinc/68/08/65/728680865.db2.gz HWVCHPCJQRLABC-UHFFFAOYSA-N 0 3 353.419 2.950 20 5 FFBDHN C[C@H](OC(=O)C1CC[C@H](C(F)(F)F)NC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000193677304 729486734 /nfs/dbraw/zinc/48/67/34/729486734.db2.gz OREIZJAEHQZNDS-XXILOJSOSA-N 0 3 360.288 2.656 20 5 FFBDHN COc1cccc(C(=O)N(CCN(C)C)Cc2cccs2)c1[N+](=O)[O-] ZINC000194627815 729516102 /nfs/dbraw/zinc/51/61/02/729516102.db2.gz JJUWATDHONBKGS-UHFFFAOYSA-N 0 3 363.439 2.869 20 5 FFBDHN CN1CCN(CCNc2cccc(Br)c2[N+](=O)[O-])CC1(C)C ZINC000856751959 730354883 /nfs/dbraw/zinc/35/48/83/730354883.db2.gz QYBFDVGPUDGJJI-UHFFFAOYSA-N 0 3 371.279 2.795 20 5 FFBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[C@H]1N(C)C ZINC000860447562 730512814 /nfs/dbraw/zinc/51/28/14/730512814.db2.gz QRVCDPQNTSUOBG-SJORKVTESA-N 0 3 359.451 2.866 20 5 FFBDHN CC(COC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)(C)C)[N+](=O)[O-] ZINC000860776706 730546204 /nfs/dbraw/zinc/54/62/04/730546204.db2.gz HGNJZSKLVVEAGU-JSGCOSHPSA-N 0 3 352.387 2.536 20 5 FFBDHN CC1(N2CCOCC2)CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000862504828 730705780 /nfs/dbraw/zinc/70/57/80/730705780.db2.gz QJRCAOUSIXHZIP-UHFFFAOYSA-N 0 3 353.850 2.935 20 5 FFBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000872052689 731724434 /nfs/dbraw/zinc/72/44/34/731724434.db2.gz GDXYWVYTFJFZKV-LNSITVRQSA-N 0 3 367.471 2.603 20 5 FFBDHN C[C@H](NC1CCC(CS(C)(=O)=O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872075710 731727341 /nfs/dbraw/zinc/72/73/41/731727341.db2.gz UOVLAJFSPNKNNC-HIFPTAJRSA-N 0 3 358.435 2.988 20 5 FFBDHN CC1(C)C[C@H](NCC[C@H]2CCCS2(=O)=O)c2cc([N+](=O)[O-])ccc21 ZINC000883308117 733365927 /nfs/dbraw/zinc/36/59/27/733365927.db2.gz IIVZVLYBBJKWBL-CJNGLKHVSA-N 0 3 352.456 2.874 20 5 FFBDHN COc1ccc(CNC[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)cc1[N+](=O)[O-] ZINC000886340331 733775757 /nfs/dbraw/zinc/77/57/57/733775757.db2.gz FJZPPDNNKNFZBU-BWQRHGBYSA-N 0 3 350.415 2.666 20 5 FFBDHN COc1c([O-])ccc(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)c1[N+](=O)[O-] ZINC000893211522 734669169 /nfs/dbraw/zinc/66/91/69/734669169.db2.gz XYAQSNQMMOQEHZ-CYBMUJFWSA-N 0 3 368.455 2.843 20 5 FFBDHN O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000734242409 734884943 /nfs/dbraw/zinc/88/49/43/734884943.db2.gz DRCSSXHAWWXUGU-AWEZNQCLSA-N 0 3 367.833 2.621 20 5 FFBDHN COc1c(O)ccc(CNC[C@H]2CC[C@H](C(F)(F)F)O2)c1[N+](=O)[O-] ZINC000896280671 735131276 /nfs/dbraw/zinc/13/12/76/735131276.db2.gz QFODOQBWZVIMGF-MWLCHTKSSA-N 0 3 350.293 2.509 20 5 FFBDHN COc1c(O)ccc(CNC[C@H]2CCC[C@H](C(F)(F)F)O2)c1[N+](=O)[O-] ZINC000896822165 735184871 /nfs/dbraw/zinc/18/48/71/735184871.db2.gz HSDCYCRGDBDMFC-ZYHUDNBSSA-N 0 3 364.320 2.899 20 5 FFBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC000897826194 735281048 /nfs/dbraw/zinc/28/10/48/735281048.db2.gz VAUXOWMCXWLPML-XVKPBYJWSA-N 0 3 362.188 2.817 20 5 FFBDHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000752246172 735970852 /nfs/dbraw/zinc/97/08/52/735970852.db2.gz FQQUDHJVAHMTJA-LLVKDONJSA-N 0 3 363.867 2.565 20 5 FFBDHN C[C@H](NCC1CCC(S(C)(=O)=O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000903150780 736042331 /nfs/dbraw/zinc/04/23/31/736042331.db2.gz WACISGJCYQLZMW-HIFPTAJRSA-N 0 3 358.435 2.988 20 5 FFBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1cn(C)nc1OC ZINC000903337399 736077316 /nfs/dbraw/zinc/07/73/16/736077316.db2.gz JUVYGZHLXMYUIV-CYBMUJFWSA-N 0 3 350.444 2.997 20 5 FFBDHN CC(C)OCC[C@H](O)CNCc1ccc(Br)cc1[N+](=O)[O-] ZINC000905429238 736339478 /nfs/dbraw/zinc/33/94/78/736339478.db2.gz YEOZDOHGDLWGPO-ZDUSSCGKSA-N 0 3 361.236 2.623 20 5 FFBDHN C[C@@H]1CCCN1CCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000760874716 736676311 /nfs/dbraw/zinc/67/63/11/736676311.db2.gz ZFEHTEQBSXZQSV-SNVBAGLBSA-N 0 3 356.220 2.571 20 5 FFBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000923278907 738265723 /nfs/dbraw/zinc/26/57/23/738265723.db2.gz XOPMOOJSMJNOQR-QWHCGFSZSA-N 0 3 357.332 2.922 20 5 FFBDHN CN(C)Cc1ccc(S(=O)(=O)Oc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000788415934 739242848 /nfs/dbraw/zinc/24/28/48/739242848.db2.gz HMBXAKWWNDKYAN-UHFFFAOYSA-N 0 3 354.359 2.563 20 5 FFBDHN C[C@](CO)(NC[C@H]1CCC[C@H](C(F)(F)F)O1)c1cccc([N+](=O)[O-])c1 ZINC000931469732 739270313 /nfs/dbraw/zinc/27/03/13/739270313.db2.gz FOORVJNYBOMPLR-RBSFLKMASA-N 0 3 362.348 2.892 20 5 FFBDHN C[C@@H](NC[C@@H](O)CCNC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000794458969 739894241 /nfs/dbraw/zinc/89/42/41/739894241.db2.gz RMMMCHSYSNAHIB-DOMZBBRYSA-N 0 3 353.419 2.521 20 5 FFBDHN C[C@@H](NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000935311925 739930706 /nfs/dbraw/zinc/93/07/06/739930706.db2.gz GPVMFGRERUELMC-GFCCVEGCSA-N 0 3 351.834 2.947 20 5 FFBDHN CCCc1nc(C(=O)OCC(C)[N+](=O)[O-])nn1-c1ccccc1Cl ZINC000813106199 741677582 /nfs/dbraw/zinc/67/75/82/741677582.db2.gz AHQGMPPGBHMXLE-SNVBAGLBSA-N 0 3 352.778 2.695 20 5 FFBDHN CC(COC(=O)CSc1nnc(-c2cccs2)n1C1CC1)[N+](=O)[O-] ZINC000813112006 741678468 /nfs/dbraw/zinc/67/84/68/741678468.db2.gz BSFSXDWTEADWAY-VIFPVBQESA-N 0 3 368.440 2.642 20 5 FFBDHN CN(C[C@@H]1CCCN1C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000817676528 742195132 /nfs/dbraw/zinc/19/51/32/742195132.db2.gz IMHOTVUBXUYUMU-JTQLQIEISA-N 0 3 374.210 2.663 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2ccsc2)c1 ZINC000839453009 746830778 /nfs/dbraw/zinc/83/07/78/746830778.db2.gz FIRODXCPKRSLSN-UHFFFAOYSA-N 0 3 363.439 2.869 20 5 FFBDHN NC(=O)[C@]1(c2ccccc2)CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000839643770 746880499 /nfs/dbraw/zinc/88/04/99/746880499.db2.gz SXSNGFMIFXLDEY-GOSISDBHSA-N 0 3 359.813 2.877 20 5 FFBDHN CC(C)N(C)CC(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000839865698 746946890 /nfs/dbraw/zinc/94/68/90/746946890.db2.gz YTMPYXJOIZYSMS-CYBMUJFWSA-N 0 3 351.300 2.794 20 5 FFBDHN CC([C@@H](OC(=O)c1cc([N+](=O)[O-])cn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845875175 748341308 /nfs/dbraw/zinc/34/13/08/748341308.db2.gz MBISPHWFFWVYCI-LKFCYVNXSA-N 0 3 351.290 2.636 20 5 FFBDHN CC(=O)Nc1nc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cs1 ZINC000845874204 748341374 /nfs/dbraw/zinc/34/13/74/748341374.db2.gz YFQXJPGJWBPJIC-OQPBUACISA-N 0 3 367.358 2.804 20 5 FFBDHN CC([C@H](OC(=O)c1ncn(C(C)(C)C)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845878619 748342818 /nfs/dbraw/zinc/34/28/18/748342818.db2.gz HNENZVXQMFVQDD-GWCFXTLKSA-N 0 3 350.350 2.736 20 5 FFBDHN COc1ccc(CN[C@H](C)CN(C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000850416971 749362283 /nfs/dbraw/zinc/36/22/83/749362283.db2.gz IKCWRQILADGIGZ-GFCCVEGCSA-N 0 3 353.419 2.948 20 5 FFBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@@H](CO)c2cccc(C(F)(F)F)c2)cc1 ZINC000872216717 1013182076 /nfs/dbraw/zinc/18/20/76/1013182076.db2.gz BRBBSCRWMVPCGP-JKSUJKDBSA-N 0 3 370.327 2.970 20 5 FFBDHN C[C@H](CNC(=O)N1CCN(C2CC2)C[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000897064529 973214794 /nfs/dbraw/zinc/21/47/94/973214794.db2.gz YZWKKIVIQPHWLT-LSDHHAIUSA-N 0 3 360.458 2.824 20 5 FFBDHN Cc1ncccc1OC[C@@H]1CCCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000842173443 976714379 /nfs/dbraw/zinc/71/43/79/976714379.db2.gz PSEPUHRJAQKREQ-ROUUACIJSA-N 0 3 357.410 2.875 20 5 FFBDHN CN(C)Cc1ccc(-c2noc(C(C)(C)n3cc([N+](=O)[O-])cn3)n2)cc1 ZINC000904623430 980306227 /nfs/dbraw/zinc/30/62/27/980306227.db2.gz DHZMCSOTSMMGOP-UHFFFAOYSA-N 0 3 356.386 2.686 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC([C@H](O)c2ccnn2C)CC1 ZINC000877647804 1014660408 /nfs/dbraw/zinc/66/04/08/1014660408.db2.gz UFUBXYKJPGVHND-IBGZPJMESA-N 0 3 358.442 2.891 20 5 FFBDHN COC1CCN(C(C)(C)CNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])CC1 ZINC000843792570 982552960 /nfs/dbraw/zinc/55/29/60/982552960.db2.gz STCBYGAWAKEXEE-UHFFFAOYSA-N 0 3 367.421 2.662 20 5 FFBDHN O=C(NC[C@@H]1CCCCN1C1CC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000765795033 985859773 /nfs/dbraw/zinc/85/97/73/985859773.db2.gz DQUPNFUDPUDLQT-KRWDZBQOSA-N 0 3 372.469 2.942 20 5 FFBDHN CC(COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1)[N+](=O)[O-] ZINC000813114243 995625165 /nfs/dbraw/zinc/62/51/65/995625165.db2.gz OGWUJNYOBYHGGD-IWCQGFGOSA-N 0 3 360.410 2.668 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000823981543 996772311 /nfs/dbraw/zinc/77/23/11/996772311.db2.gz ZLFFQTLOWCSMEM-XJKSGUPXSA-N 0 3 369.425 2.962 20 5 FFBDHN CN(C)CCN(CC1CCCCC1)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825389395 997335107 /nfs/dbraw/zinc/33/51/07/997335107.db2.gz NDOKDOOJKWJFKD-GOSISDBHSA-N 0 3 363.458 2.599 20 5 FFBDHN Cc1c([N+](=O)[O-])cc(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000730841964 997514350 /nfs/dbraw/zinc/51/43/50/997514350.db2.gz UMGURQGRIHBDEO-RYUDHWBXSA-N 0 3 364.402 2.804 20 5 FFBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CCN1CCCCC1 ZINC001144274371 998243327 /nfs/dbraw/zinc/24/33/27/998243327.db2.gz WCLQYZPUIWRQNO-CYBMUJFWSA-N 0 3 369.849 2.960 20 5 FFBDHN CC([C@H](OC(=O)[C@H](C)NC(=O)C1CCCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845873760 998676101 /nfs/dbraw/zinc/67/61/01/998676101.db2.gz FZRLTZRNOBJFPZ-MKBNYLNASA-N 0 3 366.389 2.770 20 5 FFBDHN CC([C@H](OC(=O)[C@H]1CCc2ncncc2C1)c1ccccc1F)[N+](=O)[O-] ZINC000845875816 998676798 /nfs/dbraw/zinc/67/67/98/998676798.db2.gz COVNKDWCXSWCCW-PEBVRCNWSA-N 0 3 359.357 2.670 20 5 FFBDHN COCCn1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c(C)n1 ZINC000845874249 998677001 /nfs/dbraw/zinc/67/70/01/998677001.db2.gz GMPPZTUARSJAEG-WBMJQRKESA-N 0 3 365.361 2.540 20 5 FFBDHN O=[N+]([O-])c1ccc(F)cc1CN[C@]1(CO)CCCN(Cc2ccccc2)C1 ZINC000734000520 999169799 /nfs/dbraw/zinc/16/97/99/999169799.db2.gz QRKYNJITGXCYHE-HXUWFJFHSA-N 0 3 373.428 2.851 20 5 FFBDHN O=C(CN[C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(Br)c(F)c1 ZINC001168975779 1000013848 /nfs/dbraw/zinc/01/38/48/1000013848.db2.gz XDNLIUGBSCJEQP-KOLCDFICSA-N 0 3 359.195 2.806 20 5 FFBDHN CN1CCc2c(N3CCCc4ccc(CN)nc43)ccc([N+](=O)[O-])c2C1 ZINC001169591449 1000060176 /nfs/dbraw/zinc/06/01/76/1000060176.db2.gz JRWXAPSZIKSFPY-UHFFFAOYSA-N 0 3 353.426 2.521 20 5 FFBDHN CN(CCCN(C)C(=O)c1cc(F)ccc1[N+](=O)[O-])Cc1ccncc1 ZINC000846172417 1000215534 /nfs/dbraw/zinc/21/55/34/1000215534.db2.gz MCIMNFABSHDUGE-UHFFFAOYSA-N 0 3 360.389 2.723 20 5 FFBDHN COc1ccc(CN[C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000785581346 1001460088 /nfs/dbraw/zinc/46/00/88/1001460088.db2.gz HQCUKPRHZAIEEM-VOJFVSQTSA-N 0 3 360.366 2.544 20 5 FFBDHN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCCN1CCCC[C@@H]1C ZINC000746716065 1001733059 /nfs/dbraw/zinc/73/30/59/1001733059.db2.gz IDFYTLKWJUXFQA-NSHDSACASA-N 0 3 366.374 2.576 20 5 FFBDHN CCS(=O)(=O)c1ccc(CNc2cc3c(cc2[N+](=O)[O-])CNC3)cc1 ZINC001170331996 1003115986 /nfs/dbraw/zinc/11/59/86/1003115986.db2.gz HGPGDYPSHKQRHV-UHFFFAOYSA-N 0 3 361.423 2.604 20 5 FFBDHN COC(=O)[C@H]1CCCN([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170356036 1003123252 /nfs/dbraw/zinc/12/32/52/1003123252.db2.gz UTDANAVADDMQJE-KGLIPLIRSA-N 0 3 350.415 2.810 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@@H](Cn2ccnc2)c2ccccc2)c1 ZINC001197265474 1004146945 /nfs/dbraw/zinc/14/69/45/1004146945.db2.gz SJEKDHVXCOSTDL-RBUKOAKNSA-N 0 3 352.394 2.856 20 5 FFBDHN COC(=O)N1CCC(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])CC1 ZINC000851108085 1005861745 /nfs/dbraw/zinc/86/17/45/1005861745.db2.gz JIDPCAYFCHEWIF-XHDPSFHLSA-N 0 3 368.361 2.554 20 5 FFBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000851646611 1005902815 /nfs/dbraw/zinc/90/28/15/1005902815.db2.gz YYNZPCZWBZOGSJ-GOSISDBHSA-N 0 3 370.409 2.574 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(OC[C@H]3CCCCO3)CC2)cc1 ZINC000776590403 1005993572 /nfs/dbraw/zinc/99/35/72/1005993572.db2.gz DIGVSIARGQGNFL-MOPGFXCFSA-N 0 3 364.442 2.678 20 5 FFBDHN Cc1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000813828101 1006047183 /nfs/dbraw/zinc/04/71/83/1006047183.db2.gz ZOUUWSJRDVILMR-RHSMWYFYSA-N 0 3 368.437 2.878 20 5 FFBDHN CCc1ccc([C@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000010139259 1007231036 /nfs/dbraw/zinc/23/10/36/1007231036.db2.gz OPVPBJPYGDXIGO-SFHVURJKSA-N 0 3 356.426 2.772 20 5 FFBDHN Cc1ncc2c(n1)CCC[C@H]2NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000819078283 1008039132 /nfs/dbraw/zinc/03/91/32/1008039132.db2.gz IFNGJPRVLFJDTQ-CQSZACIVSA-N 0 3 355.398 2.689 20 5 FFBDHN Cc1ccc([C@H](C)NC[C@H](O)CN(C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000819135812 1008039597 /nfs/dbraw/zinc/03/95/97/1008039597.db2.gz FYICECFRKXAFOE-ZFWWWQNUSA-N 0 3 367.446 2.782 20 5 FFBDHN COCCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859209153 1008487549 /nfs/dbraw/zinc/48/75/49/1008487549.db2.gz XIQKJBLTNWYNCX-OAHLLOKOSA-N 0 3 357.410 2.589 20 5 FFBDHN COc1ccc(OCCN2CCC[C@@](O)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000859586180 1008578189 /nfs/dbraw/zinc/57/81/89/1008578189.db2.gz IOGGSZBDWWFBDD-FQEVSTJZSA-N 0 3 372.421 2.966 20 5 FFBDHN Cc1ccc([C@@H](C)NCc2ccc(N3CCN(C)CC3)nc2)cc1[N+](=O)[O-] ZINC000130484162 1009340121 /nfs/dbraw/zinc/34/01/21/1009340121.db2.gz LHLRBZYCQYMGTO-MRXNPFEDSA-N 0 3 369.469 2.901 20 5 FFBDHN O=C(NC[C@@H]1CCN1C1CCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000862631963 1009910299 /nfs/dbraw/zinc/91/02/99/1009910299.db2.gz ZFNXANRXJZCWKU-AWEZNQCLSA-N 0 3 362.386 2.640 20 5 FFBDHN CC(C)[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1 ZINC000794602234 1010434921 /nfs/dbraw/zinc/43/49/21/1010434921.db2.gz CZUZZVQVSJBGPU-WOJBJXKFSA-N 0 3 371.437 2.905 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCN3CCCC[C@H]3C2)c1F ZINC001173189894 1012330789 /nfs/dbraw/zinc/33/07/89/1012330789.db2.gz OIEMHPVDASRDTC-KGLIPLIRSA-N 0 3 351.422 2.844 20 5 FFBDHN CC([C@H](OC(=O)c1cccn(C2CC2)c1=O)c1ccccc1F)[N+](=O)[O-] ZINC000870453976 1012387822 /nfs/dbraw/zinc/38/78/22/1012387822.db2.gz HBKRBDHBVXDENE-ZBEGNZNMSA-N 0 3 360.341 2.886 20 5 FFBDHN CC([C@H](OC(=O)Cc1cnn2c1CCCC2)c1ccccc1F)[N+](=O)[O-] ZINC000870455443 1012391486 /nfs/dbraw/zinc/39/14/86/1012391486.db2.gz ZVYZETFNXDSOMZ-XIKOKIGWSA-N 0 3 361.373 2.851 20 5 FFBDHN Cc1cccc(NC[C@@H]2CCCN2C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC001116351696 1021176054 /nfs/dbraw/zinc/17/60/54/1021176054.db2.gz ISHFVUOFCWVLBW-ROUUACIJSA-N 0 3 356.426 2.908 20 5 FFBDHN COc1cc(O[C@@H]2CC[NH2+][C@H](C)C2)c2c(c1)oc1c([O-])ccc(O)c1c2=O ZINC001218052456 1032970534 /nfs/dbraw/zinc/97/05/34/1032970534.db2.gz BJKPHNREQJSPRV-GHMZBOCLSA-N 0 3 371.389 2.885 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934836651 1021422031 /nfs/dbraw/zinc/42/20/31/1021422031.db2.gz DVHAJHVNDJPWSD-HOTGVXAUSA-N 0 3 361.442 2.980 20 5 FFBDHN O=C(CN1CCCC[C@@H]([C@H]2CCOC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000934840513 1021424464 /nfs/dbraw/zinc/42/44/64/1021424464.db2.gz FXJOBENBFZHDIU-SJORKVTESA-N 0 3 373.453 2.623 20 5 FFBDHN C/C(=C/C(=O)N(CCN(C)C)C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000752029345 1023028563 /nfs/dbraw/zinc/02/85/63/1023028563.db2.gz DPJZJZSKFKIQSY-OJSRQPNCSA-N 0 3 361.442 2.567 20 5 FFBDHN CC(C)(C)C(=O)NC[C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246230740 1025899884 /nfs/dbraw/zinc/89/98/84/1025899884.db2.gz GBAXXMSLKISJGD-WMLDXEAASA-N 0 3 363.458 2.503 20 5 FFBDHN COc1nc(NC2CCN(Cc3ccc(O)cc3)CC2)ccc1[N+](=O)[O-] ZINC001161129971 1028027039 /nfs/dbraw/zinc/02/70/39/1028027039.db2.gz JFQJNQGWLAKVCF-UHFFFAOYSA-N 0 3 358.398 2.781 20 5 FFBDHN Cc1cc(Cl)nc(-n2nc(C(F)(F)F)c3c2CCNC3)c1[N+](=O)[O-] ZINC001154848865 1028483074 /nfs/dbraw/zinc/48/30/74/1028483074.db2.gz BXWXPWNWZKJQPI-UHFFFAOYSA-N 0 3 361.711 2.802 20 5 FFBDHN CCOC(=O)c1cnc(-n2c3ccccc3nc2[C@H](C)N)c([N+](=O)[O-])c1 ZINC001162757582 1028646467 /nfs/dbraw/zinc/64/64/67/1028646467.db2.gz BKQBMNURWZLDPT-JTQLQIEISA-N 0 3 355.354 2.525 20 5 FFBDHN Cc1cc(CN)nn1-c1nc(-c2ccc([N+](=O)[O-])cc2)nc(Cl)c1C ZINC001163980979 1029133398 /nfs/dbraw/zinc/13/33/98/1029133398.db2.gz CJAFOTAGQBPSKA-UHFFFAOYSA-N 0 3 358.789 2.966 20 5 FFBDHN CCOC(=O)c1ccnc(N2CCN(C3CCCC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC001164145997 1029184590 /nfs/dbraw/zinc/18/45/90/1029184590.db2.gz LNTCBVAYDNVDNT-CYBMUJFWSA-N 0 3 362.430 2.620 20 5 FFBDHN CCN1C[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC001156837486 1029370127 /nfs/dbraw/zinc/37/01/27/1029370127.db2.gz UXNDLPMTOWWNAL-HNNXBMFYSA-N 0 3 351.422 2.858 20 5 FFBDHN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1N(C)c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001165180687 1029435493 /nfs/dbraw/zinc/43/54/93/1029435493.db2.gz DJOKKRVZWNATSW-CRAIPNDOSA-N 0 3 356.426 2.575 20 5 FFBDHN Cc1cnc(N2CCCn3cnc(CNC4CCC4)c3C2)c([N+](=O)[O-])c1 ZINC001165908685 1030166978 /nfs/dbraw/zinc/16/69/78/1030166978.db2.gz MHWCJUANAAWMEH-UHFFFAOYSA-N 0 3 356.430 2.547 20 5 FFBDHN Cc1nn(CN2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)c2ncc([N+](=O)[O-])cc12 ZINC000799153841 1031669681 /nfs/dbraw/zinc/66/96/81/1031669681.db2.gz AXONWFPFLWTVEB-BIMQEMHKSA-N 0 3 373.457 2.867 20 5 FFBDHN CN(C)c1cc(F)c(C(=O)NC[C@H]2N(C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000830838114 1033813507 /nfs/dbraw/zinc/81/35/07/1033813507.db2.gz JOWWGQDRRCRQQD-MRXNPFEDSA-N 0 3 366.437 2.650 20 5 FFBDHN COCCN1CCC(Oc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC001225504391 1034281859 /nfs/dbraw/zinc/28/18/59/1034281859.db2.gz QXBIQAJLFZIGBJ-UHFFFAOYSA-N 0 3 359.220 2.847 20 5 FFBDHN CC(=O)Cc1c(F)c(O[C@@H]2[C@@H]3CCC[C@H]2CN(C)C3)ccc1[N+](=O)[O-] ZINC001230796013 1037361763 /nfs/dbraw/zinc/36/17/63/1037361763.db2.gz GGQSATHDZJVCOP-IVWMJMPLSA-N 0 3 350.390 2.975 20 5 FFBDHN COc1cc(N2CCC(N3CCC(=O)[C@H](C)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256093258 1038379196 /nfs/dbraw/zinc/37/91/96/1038379196.db2.gz IWVGGPLQZFXDJQ-CQSZACIVSA-N 0 3 361.442 2.873 20 5 FFBDHN COc1cc(N2CCC(N3CCO[C@H](C(C)C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256101622 1038387316 /nfs/dbraw/zinc/38/73/16/1038387316.db2.gz PTAUPCKVWZBOOQ-IBGZPJMESA-N 0 3 363.458 2.929 20 5 FFBDHN COc1ncc(-c2noc(C[C@@H](N)c3ccccc3[N+](=O)[O-])n2)cc1C ZINC001249342673 1040692839 /nfs/dbraw/zinc/69/28/39/1040692839.db2.gz PMYLIDLLVDLFRX-CYBMUJFWSA-N 0 3 355.354 2.599 20 5 FFBDHN COc1cc(O[C@@H]2CCN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)ccn1 ZINC001254605391 1040834682 /nfs/dbraw/zinc/83/46/82/1040834682.db2.gz BNQXGHOGWQDNMU-FUHWJXTLSA-N 0 3 355.394 2.619 20 5 FFBDHN COC(=O)[C@@H]1CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)Cc2ccccc21 ZINC001254609385 1040836987 /nfs/dbraw/zinc/83/69/87/1040836987.db2.gz VYBSYHDQMRBWLI-IEBWSBKVSA-N 0 3 352.390 2.834 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](n1nc(C(F)(F)F)c3c1CNCC3)C2 ZINC001254608914 1040837623 /nfs/dbraw/zinc/83/76/23/1040837623.db2.gz TXIOEOOGJZDMER-GFCCVEGCSA-N 0 3 352.316 2.796 20 5 FFBDHN CN1CCCC[C@@H]1CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001262652524 1041776348 /nfs/dbraw/zinc/77/63/48/1041776348.db2.gz ISXNBCQMDFCIPY-GFCCVEGCSA-N 0 3 370.247 2.500 20 5 FFBDHN C[C@@H]1CN[C@@H](C)[C@H](C)N1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001263202346 1042169064 /nfs/dbraw/zinc/16/90/64/1042169064.db2.gz XKZKIJABCFUIPT-WOPDTQHZSA-N 0 3 360.439 2.929 20 5 FFBDHN CN1CCCC[C@@H]1CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001312380989 1044104665 /nfs/dbraw/zinc/10/46/65/1044104665.db2.gz NNPPDLDNXDAGFG-CQSZACIVSA-N 0 3 354.838 2.574 20 5 FFBDHN COc1ccc(CN[C@@H]2CCCN(C(=O)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001318371502 1045285232 /nfs/dbraw/zinc/28/52/32/1045285232.db2.gz ICUCQAOPPXEPFU-QGZVFWFLSA-N 0 3 369.421 2.998 20 5 FFBDHN CCc1nn(C)c(N2CCCN(Cc3ccc(C)cc3)CC2)c1[N+](=O)[O-] ZINC001320506261 1045421366 /nfs/dbraw/zinc/42/13/66/1045421366.db2.gz DRDBCJXJEGJMCZ-UHFFFAOYSA-N 0 3 357.458 2.911 20 5 FFBDHN CC(C)N(CCN(C)Cc1ccc(Cl)s1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001284533737 1046565912 /nfs/dbraw/zinc/56/59/12/1046565912.db2.gz QAEDSBWIUMLSOY-CHWSQXEVSA-N 0 3 359.879 2.736 20 5 FFBDHN CO[C@@](C)(CO)CNCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001326795783 1047092366 /nfs/dbraw/zinc/09/23/66/1047092366.db2.gz JUTBJRYCKRFDSQ-MRXNPFEDSA-N 0 3 354.790 2.995 20 5 FFBDHN O=C(c1ccc2c(c1)OCCNC2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001341805589 1050418904 /nfs/dbraw/zinc/41/89/04/1050418904.db2.gz LISAACWQCWVNSU-UHFFFAOYSA-N 0 3 367.405 2.882 20 5 FFBDHN C[C@@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)N1CCC(C)CC1 ZINC001542425752 1071232115 /nfs/dbraw/zinc/23/21/15/1071232115.db2.gz ZJCYZTXIHRKEFF-JTQLQIEISA-N 0 3 372.828 2.820 20 5 FFBDHN CN(CCC(C)(C)C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001307874215 1052358810 /nfs/dbraw/zinc/35/88/10/1052358810.db2.gz KMSHAXMWCLDOKR-UHFFFAOYSA-N 0 3 362.474 2.611 20 5 FFBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@H]3CCC[C@H](C(F)(F)F)O3)CC2)n1 ZINC001351413598 1056251257 /nfs/dbraw/zinc/25/12/57/1056251257.db2.gz HRTMDKJQSCVYFN-CHWSQXEVSA-N 0 3 362.352 2.928 20 5 FFBDHN O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1ccc2c(c1)CNCCO2 ZINC001521540918 1060949126 /nfs/dbraw/zinc/94/91/26/1060949126.db2.gz NKYJIHVUDDADKI-UHFFFAOYSA-N 0 3 359.357 2.787 20 5 FFBDHN CN(CCNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC001526656351 1061206159 /nfs/dbraw/zinc/20/61/59/1061206159.db2.gz PZENGRXWGLQVCU-RTBURBONSA-N 0 3 353.422 2.947 20 5 FFBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC001476666328 1061455281 /nfs/dbraw/zinc/45/52/81/1061455281.db2.gz XTRCBDFNPSBJMH-LBPRGKRZSA-N 0 3 370.837 2.525 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)CN1Cc1ccccc1 ZINC001566338702 1076948244 /nfs/dbraw/zinc/94/82/44/1076948244.db2.gz QCLCYRVGQOFNFO-UKRRQHHQSA-N 0 3 354.410 2.570 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CCCCN1C ZINC001585855719 1079505762 /nfs/dbraw/zinc/50/57/62/1079505762.db2.gz MKUDNGPTQJKGIS-WCQYABFASA-N 0 3 355.822 2.616 20 5 FFBDHN C[C@H](N[C@@H]1Cc2ccc(-c3nn[nH]n3)cc2C1)c1c(F)cccc1[N+](=O)[O-] ZINC001589953525 1080900383 /nfs/dbraw/zinc/90/03/83/1080900383.db2.gz FSUJXDIZRNQVGO-IINYFYTJSA-N 0 3 368.372 2.732 20 5 FFBDHN C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC001589982323 1080919705 /nfs/dbraw/zinc/91/97/05/1080919705.db2.gz NCUZVKIEXRNVGW-SJCJKPOMSA-N 0 3 367.413 2.878 20 5 FFBDHN C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590189136 1081079205 /nfs/dbraw/zinc/07/92/05/1081079205.db2.gz VJWSVSVQACSCJU-OKILXGFUSA-N 0 3 373.461 2.945 20 5 FFBDHN C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590189136 1081079210 /nfs/dbraw/zinc/07/92/10/1081079210.db2.gz VJWSVSVQACSCJU-OKILXGFUSA-N 0 3 373.461 2.945 20 5 FFBDHN C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590189136 1081079217 /nfs/dbraw/zinc/07/92/17/1081079217.db2.gz VJWSVSVQACSCJU-OKILXGFUSA-N 0 3 373.461 2.945 20 5 FFBDHN C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590189136 1081079221 /nfs/dbraw/zinc/07/92/21/1081079221.db2.gz VJWSVSVQACSCJU-OKILXGFUSA-N 0 3 373.461 2.945 20 5 FFBDHN C[C@H]1C[C@H](C)C[NH+](CCCCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590189134 1081079832 /nfs/dbraw/zinc/07/98/32/1081079832.db2.gz VJWSVSVQACSCJU-KBPBESRZSA-N 0 3 373.461 2.945 20 5 FFBDHN C[C@H]1C[C@H](C)C[NH+](CCCCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590189134 1081079837 /nfs/dbraw/zinc/07/98/37/1081079837.db2.gz VJWSVSVQACSCJU-KBPBESRZSA-N 0 3 373.461 2.945 20 5 FFBDHN COc1cc(CNC[C@@]2(C)CCO[C@@H]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000372983357 512117714 /nfs/dbraw/zinc/11/77/14/512117714.db2.gz URYXVSQFEUIZDA-QZTJIDSGSA-N 0 3 350.415 2.907 20 5 FFBDHN C[C@H]1CN(CCCCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000119104938 250435803 /nfs/dbraw/zinc/43/58/03/250435803.db2.gz APHOHUOUVISWHA-STQMWFEESA-N 0 3 369.849 2.867 20 5 FFBDHN COc1cc(CNC[C@@H](O)CCc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000273053963 252202363 /nfs/dbraw/zinc/20/23/63/252202363.db2.gz CWLWVCWNSFODGL-INIZCTEOSA-N 0 3 360.410 2.695 20 5 FFBDHN CS[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1N1CCCC1 ZINC000275703312 256040426 /nfs/dbraw/zinc/04/04/26/256040426.db2.gz JSUVFDOGGPGLNC-LSDHHAIUSA-N 0 3 350.444 2.638 20 5 FFBDHN CC(C)N1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000276294469 256087666 /nfs/dbraw/zinc/08/76/66/256087666.db2.gz MHJQGPSNJNRFSZ-ZDUSSCGKSA-N 0 3 355.460 2.531 20 5 FFBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000285765130 257003621 /nfs/dbraw/zinc/00/36/21/257003621.db2.gz KUZDWHSNHXVKOR-RDJZCZTQSA-N 0 3 372.469 2.894 20 5 FFBDHN CCc1n[nH]c(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000278430108 256312090 /nfs/dbraw/zinc/31/20/90/256312090.db2.gz CYGFRFPWNGESIH-BBRMVZONSA-N 0 3 371.441 2.521 20 5 FFBDHN CCOC(=O)[C@@H]1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000278677192 256337166 /nfs/dbraw/zinc/33/71/66/256337166.db2.gz LZPFIQOYHMUCKQ-SGMGOOAPSA-N 0 3 360.414 2.929 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000278726089 256341779 /nfs/dbraw/zinc/34/17/79/256341779.db2.gz LKYSBAUHXIGMGR-CQSZACIVSA-N 0 3 362.430 2.620 20 5 FFBDHN O=C([C@H]1CCCN1C1CC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000279204721 256392625 /nfs/dbraw/zinc/39/26/25/256392625.db2.gz ONEKNMLPEMFHMO-GOSISDBHSA-N 0 3 359.426 2.591 20 5 FFBDHN CC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000286720109 257051473 /nfs/dbraw/zinc/05/14/73/257051473.db2.gz DZDRDQIESMUGSV-GOSISDBHSA-N 0 3 369.421 2.976 20 5 FFBDHN CC(=O)c1cc(NCc2ccccc2CN2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000286912503 257061690 /nfs/dbraw/zinc/06/16/90/257061690.db2.gz PPOFEFNRGURPNQ-SFHVURJKSA-N 0 3 369.421 2.976 20 5 FFBDHN C[C@@H](CN(C)C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000287221112 257078144 /nfs/dbraw/zinc/07/81/44/257078144.db2.gz ONPANZNSGMCRET-ZETCQYMHSA-N 0 3 364.627 2.691 20 5 FFBDHN C[C@@H]1CN(CC2CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)CC2)C[C@@H](C)O1 ZINC000302456814 258102804 /nfs/dbraw/zinc/10/28/04/258102804.db2.gz QPCGGAJEBXSBMK-HUUCEWRRSA-N 0 3 374.485 2.888 20 5 FFBDHN CN(C)CC1CCC(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000302595437 258106740 /nfs/dbraw/zinc/10/67/40/258106740.db2.gz BBIUZPDVOSSJGD-UHFFFAOYSA-N 0 3 355.460 2.531 20 5 FFBDHN CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCN1C[C@H](C)O ZINC000301428785 258049306 /nfs/dbraw/zinc/04/93/06/258049306.db2.gz FEGREVFYOMLCKL-NWDGAFQWSA-N 0 3 361.364 2.895 20 5 FFBDHN O=[N+]([O-])c1cnc2ccc(NC[C@H](c3cccs3)N3CCCC3)nn21 ZINC000301912292 258073999 /nfs/dbraw/zinc/07/39/99/258073999.db2.gz GXPWNCOSSYABSR-GFCCVEGCSA-N 0 3 358.427 2.948 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC(OCCN(C)C)CC1 ZINC000330606656 258166483 /nfs/dbraw/zinc/16/64/83/258166483.db2.gz ODYYAKMCDLPQKU-UHFFFAOYSA-N 0 3 363.458 2.703 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000331900399 258205216 /nfs/dbraw/zinc/20/52/16/258205216.db2.gz GWUCUGCCKBAICO-CQSZACIVSA-N 0 3 367.471 2.507 20 5 FFBDHN C[C@H]1CCCN(c2ccc(C(=O)NCC3=CCN(C)CC3)cc2[N+](=O)[O-])C1 ZINC000332055480 258211772 /nfs/dbraw/zinc/21/17/72/258211772.db2.gz NDZDUYLTQFCAIO-HNNXBMFYSA-N 0 3 372.469 2.823 20 5 FFBDHN CS[C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000332069344 258212341 /nfs/dbraw/zinc/21/23/41/258212341.db2.gz BBMSSMDOCCXUOB-KBPBESRZSA-N 0 3 369.874 2.900 20 5 FFBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000332075798 258212633 /nfs/dbraw/zinc/21/26/33/258212633.db2.gz FWQNKAQGXRRGMH-YPMHNXCESA-N 0 3 369.368 2.895 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000332082743 258213354 /nfs/dbraw/zinc/21/33/54/258213354.db2.gz OLCIGEBIFYJXOE-LSDHHAIUSA-N 0 3 369.874 2.900 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCN1C ZINC000332608925 258237178 /nfs/dbraw/zinc/23/71/78/258237178.db2.gz BEIAPZKVXFXAJR-YPMHNXCESA-N 0 3 360.439 2.931 20 5 FFBDHN CN(C)CCOc1cccc(NC(=O)NCc2ccccc2[N+](=O)[O-])c1 ZINC000410138913 512210910 /nfs/dbraw/zinc/21/09/10/512210910.db2.gz VRTVSGCPKXBFJE-UHFFFAOYSA-N 0 3 358.398 2.857 20 5 FFBDHN CCN1CCN(Cc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000041577872 506532955 /nfs/dbraw/zinc/53/29/55/506532955.db2.gz UOWDLRQZRFVFMQ-UHFFFAOYSA-N 0 3 368.437 2.985 20 5 FFBDHN CN(C)[C@@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000054645826 506595051 /nfs/dbraw/zinc/59/50/51/506595051.db2.gz NZOGRBJAKNNCSN-LJQANCHMSA-N 0 3 370.453 2.609 20 5 FFBDHN CCOc1cc(C(=O)NC[C@@H](CC(C)C)N(C)C)c([N+](=O)[O-])cc1OC ZINC000042585650 506637775 /nfs/dbraw/zinc/63/77/75/506637775.db2.gz OPTBGVWRLOOBKC-CYBMUJFWSA-N 0 3 367.446 2.708 20 5 FFBDHN Cc1cc(NCc2cccc(C(=O)NCCN(C)C)c2)ccc1[N+](=O)[O-] ZINC000066816433 506651721 /nfs/dbraw/zinc/65/17/21/506651721.db2.gz ZDVSCPWLXPRAMH-UHFFFAOYSA-N 0 3 356.426 2.807 20 5 FFBDHN CC(C)N(CC(=O)NC1CCN(C2CC2)CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000066962068 506712836 /nfs/dbraw/zinc/71/28/36/506712836.db2.gz WCNSGAHXSFYODC-UHFFFAOYSA-N 0 3 374.485 2.548 20 5 FFBDHN CC(C)N1CCC(Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC1 ZINC000067382967 506854978 /nfs/dbraw/zinc/85/49/78/506854978.db2.gz ZHZCEFJWZURRIH-UHFFFAOYSA-N 0 3 371.441 2.844 20 5 FFBDHN CN(C)[C@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000045802192 507023479 /nfs/dbraw/zinc/02/34/79/507023479.db2.gz ZFNYYEDYEICRHD-QGZVFWFLSA-N 0 3 369.487 2.921 20 5 FFBDHN C[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)N(C)C1CC1 ZINC000057713364 507315135 /nfs/dbraw/zinc/31/51/35/507315135.db2.gz JADQBLIHSSIBRQ-HNNXBMFYSA-N 0 3 363.461 2.754 20 5 FFBDHN COc1ccc(CC(=O)NCc2ccc(CN(C)C)cc2)cc1[N+](=O)[O-] ZINC000069368748 507476949 /nfs/dbraw/zinc/47/69/49/507476949.db2.gz QKPVTWQKHKHIJQ-UHFFFAOYSA-N 0 3 357.410 2.524 20 5 FFBDHN Nc1c(C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc(F)cc1[N+](=O)[O-] ZINC000048312500 507499857 /nfs/dbraw/zinc/49/98/57/507499857.db2.gz IBOGOHGWKVKALQ-QGZVFWFLSA-N 0 3 372.400 2.883 20 5 FFBDHN CN(C)Cc1ccc(CNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000027366342 507651038 /nfs/dbraw/zinc/65/10/38/507651038.db2.gz QYPYYQSSETXTHG-UHFFFAOYSA-N 0 3 371.441 2.568 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000063467663 507733061 /nfs/dbraw/zinc/73/30/61/507733061.db2.gz FRHFFSUMVJOZHL-UHFFFAOYSA-N 0 3 357.410 2.774 20 5 FFBDHN CCN(Cc1ccc(OC)cc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000051406162 507768846 /nfs/dbraw/zinc/76/88/46/507768846.db2.gz VBDWORKFHITATA-KRWDZBQOSA-N 0 3 360.410 2.865 20 5 FFBDHN CNC(=O)c1ccc(N2CCN(CC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000064129046 507785754 /nfs/dbraw/zinc/78/57/54/507785754.db2.gz AGQKYULGFFJDKG-UHFFFAOYSA-N 0 3 360.458 2.657 20 5 FFBDHN CN(CCOc1cccc([N+](=O)[O-])c1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000052561184 507813970 /nfs/dbraw/zinc/81/39/70/507813970.db2.gz HCHGZNPNHIBPNG-UHFFFAOYSA-N 0 3 369.421 2.998 20 5 FFBDHN COC(=O)c1cc(C(=O)Nc2ccccc2CN(C)C)cc([N+](=O)[O-])c1 ZINC000031232785 507818275 /nfs/dbraw/zinc/81/82/75/507818275.db2.gz HLIHNFDWGZULHT-UHFFFAOYSA-N 0 3 357.366 2.695 20 5 FFBDHN CN1CCC[C@@H](CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000108336564 507887466 /nfs/dbraw/zinc/88/74/66/507887466.db2.gz BSYAUIIRFYCGIO-LBPRGKRZSA-N 0 3 360.439 2.790 20 5 FFBDHN Cc1cnc(NCc2ccc(CN3CCN(C)CC3)cc2)c([N+](=O)[O-])c1 ZINC000078630958 507891645 /nfs/dbraw/zinc/89/16/45/507891645.db2.gz KLNAUANOCDLIBE-UHFFFAOYSA-N 0 3 355.442 2.658 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)c1 ZINC000110356106 508023323 /nfs/dbraw/zinc/02/33/23/508023323.db2.gz PTHLVRLZDWVDHG-CQSZACIVSA-N 0 3 357.410 2.854 20 5 FFBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](C)N(C)Cc1ccccc1 ZINC000110594725 508036224 /nfs/dbraw/zinc/03/62/24/508036224.db2.gz VCOIMBDDVOKJOO-AWEZNQCLSA-N 0 3 356.426 2.887 20 5 FFBDHN C[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000111480057 508103218 /nfs/dbraw/zinc/10/32/18/508103218.db2.gz ZMILJPGJYZMGOK-HNNXBMFYSA-N 0 3 356.426 2.915 20 5 FFBDHN COc1ccc(CN(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1O ZINC000080962236 508117742 /nfs/dbraw/zinc/11/77/42/508117742.db2.gz MISIRGLETGVNGK-UHFFFAOYSA-N 0 3 359.382 2.770 20 5 FFBDHN O=C(NCC1(N2CCSCC2)CCCCC1)c1ccc([N+](=O)[O-])o1 ZINC000112186957 508158687 /nfs/dbraw/zinc/15/86/87/508158687.db2.gz JMDSJUWEBCMMHY-UHFFFAOYSA-N 0 3 353.444 2.669 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2nc(CNCCCN3CCOCC3)cs2)c1 ZINC000113311876 508260458 /nfs/dbraw/zinc/26/04/58/508260458.db2.gz ZYXVOZIBMXRCGJ-UHFFFAOYSA-N 0 3 362.455 2.530 20 5 FFBDHN CCN(CCNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000101956833 508261960 /nfs/dbraw/zinc/26/19/60/508261960.db2.gz UDSAECPBUSEPIP-NSHDSACASA-N 0 3 355.822 2.616 20 5 FFBDHN CN(CCN1CCCC1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000103116837 508296994 /nfs/dbraw/zinc/29/69/94/508296994.db2.gz NKTKRZAEYNVZGR-UHFFFAOYSA-N 0 3 360.439 2.886 20 5 FFBDHN C[C@@H]1CN(CCCCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000085457682 508309630 /nfs/dbraw/zinc/30/96/30/508309630.db2.gz GBBUOUVPRBXRJW-CHWSQXEVSA-N 0 3 369.849 2.867 20 5 FFBDHN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000086238655 508323046 /nfs/dbraw/zinc/32/30/46/508323046.db2.gz NFCZYGORWKTSPT-UHFFFAOYSA-N 0 3 369.421 2.733 20 5 FFBDHN Cn1cc(CNC[C@@](C)(O)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000114508633 508323361 /nfs/dbraw/zinc/32/33/61/508323361.db2.gz KIEGTHZDLKIHQF-HXUWFJFHSA-N 0 3 366.421 2.993 20 5 FFBDHN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1CCCN1Cc1ccccc1 ZINC000114643274 508333546 /nfs/dbraw/zinc/33/35/46/508333546.db2.gz BHPXKJJIEZMVNR-GOSISDBHSA-N 0 3 353.422 2.918 20 5 FFBDHN CC(C)OCCN1CCC(NC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087453184 508352933 /nfs/dbraw/zinc/35/29/33/508352933.db2.gz JAZVIHMCCIBNQJ-UHFFFAOYSA-N 0 3 363.458 2.533 20 5 FFBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1CN1CCCCC1 ZINC000105177206 508364271 /nfs/dbraw/zinc/36/42/71/508364271.db2.gz SNXWZXVQOVQTGB-SFHVURJKSA-N 0 3 360.458 2.797 20 5 FFBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000106364030 508399804 /nfs/dbraw/zinc/39/98/04/508399804.db2.gz ONQSLEDANFTMEN-DGCLKSJQSA-N 0 3 355.822 2.568 20 5 FFBDHN CCC(CC)[C@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])N(C)C ZINC000121827648 508426925 /nfs/dbraw/zinc/42/69/25/508426925.db2.gz YWKGWAJCOOPCNO-AWEZNQCLSA-N 0 3 357.476 2.777 20 5 FFBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000157119641 508526005 /nfs/dbraw/zinc/52/60/05/508526005.db2.gz LRPCHFGOGCROIL-CRAIPNDOSA-N 0 3 360.458 2.730 20 5 FFBDHN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCCN1CCCCC1 ZINC000116727722 508552422 /nfs/dbraw/zinc/55/24/22/508552422.db2.gz CEWGKUMHYKEXOK-UHFFFAOYSA-N 0 3 355.822 2.619 20 5 FFBDHN CCOc1ccc([C@H](C)NC[C@@H]2CCCN2CCOC)cc1[N+](=O)[O-] ZINC000153553780 508596550 /nfs/dbraw/zinc/59/65/50/508596550.db2.gz YVEAPJWMEWWIOJ-HOCLYGCPSA-N 0 3 351.447 2.755 20 5 FFBDHN O=C(CCN1CCC(n2cccn2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128597443 508617018 /nfs/dbraw/zinc/61/70/18/508617018.db2.gz QMLAGFUIPWWWOQ-UHFFFAOYSA-N 0 3 361.377 2.596 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000119036180 508711537 /nfs/dbraw/zinc/71/15/37/508711537.db2.gz UNMXMMYRDXQWRK-BEFAXECRSA-N 0 3 368.437 2.915 20 5 FFBDHN C[C@H]1CN(CCCCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000123627127 508716908 /nfs/dbraw/zinc/71/69/08/508716908.db2.gz XKUMXXYQHVMOEH-STQMWFEESA-N 0 3 369.849 2.867 20 5 FFBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(c3nnc4ccccn43)CC2)c1 ZINC000154246124 508744814 /nfs/dbraw/zinc/74/48/14/508744814.db2.gz UFXWDWOCOMANGS-KRWDZBQOSA-N 0 3 367.409 2.551 20 5 FFBDHN C[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Br)CCN1C ZINC000123977975 508766472 /nfs/dbraw/zinc/76/64/72/508766472.db2.gz GICDPHFVCUAYNX-QWRGUYRKSA-N 0 3 370.247 2.912 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN(C2CCCCC2)CC1 ZINC000141675374 508818075 /nfs/dbraw/zinc/81/80/75/508818075.db2.gz HNNMTOFFFRPUMF-UHFFFAOYSA-N 0 3 360.458 2.792 20 5 FFBDHN CCOc1ccc(NC(=O)CN[C@H]2CC(C)(C)OC2(C)C)c([N+](=O)[O-])c1 ZINC000119881486 508882771 /nfs/dbraw/zinc/88/27/71/508882771.db2.gz BUJNJBUSBWLEOQ-HNNXBMFYSA-N 0 3 365.430 2.868 20 5 FFBDHN CNC(=O)c1ccc(NCc2ccccc2OCCN(C)C)c([N+](=O)[O-])c1 ZINC000120286753 508965134 /nfs/dbraw/zinc/96/51/34/508965134.db2.gz OWFQQGAHZDFQLB-UHFFFAOYSA-N 0 3 372.425 2.507 20 5 FFBDHN CN(C)[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)Cc1ccccc1 ZINC000120294420 508966774 /nfs/dbraw/zinc/96/67/74/508966774.db2.gz ZDXBYGBJGSZMAR-MRXNPFEDSA-N 0 3 366.421 2.979 20 5 FFBDHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(CC2CC2)C1 ZINC000120657729 509040025 /nfs/dbraw/zinc/04/00/25/509040025.db2.gz FSVCBBZGPPYXPH-QGZVFWFLSA-N 0 3 360.458 2.701 20 5 FFBDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000155630169 509041331 /nfs/dbraw/zinc/04/13/31/509041331.db2.gz BJQJBGNGOACINV-HNNXBMFYSA-N 0 3 368.437 2.874 20 5 FFBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCNCc1cccnc1 ZINC000120794617 509065762 /nfs/dbraw/zinc/06/57/62/509065762.db2.gz PGBWBUNZQONXGB-CQSZACIVSA-N 0 3 374.466 2.767 20 5 FFBDHN CN(CC1CCN(C)CC1)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000121276985 509161438 /nfs/dbraw/zinc/16/14/38/509161438.db2.gz WNXWHTPJXVGGRE-UHFFFAOYSA-N 0 3 370.247 2.771 20 5 FFBDHN Cc1c(CC(=O)N[C@H](Cc2ccccc2)CN(C)C)cccc1[N+](=O)[O-] ZINC000162334233 509201340 /nfs/dbraw/zinc/20/13/40/509201340.db2.gz ZOIAKQCHQBEKSO-GOSISDBHSA-N 0 3 355.438 2.735 20 5 FFBDHN COc1cccc(CN(CCN(C)C)C(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000191953910 509262839 /nfs/dbraw/zinc/26/28/39/509262839.db2.gz BUKPDMCNGNAMFY-UHFFFAOYSA-N 0 3 371.437 2.736 20 5 FFBDHN Cc1cc(C)c(S(=O)(=O)N(C)CC[C@H]2CCCCN2C)cc1[N+](=O)[O-] ZINC000191992784 509281925 /nfs/dbraw/zinc/28/19/25/509281925.db2.gz URHOUCZHHLDDBR-OAHLLOKOSA-N 0 3 369.487 2.707 20 5 FFBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000267094589 509343668 /nfs/dbraw/zinc/34/36/68/509343668.db2.gz JDJFLUPTCZYXEQ-MLGOLLRUSA-N 0 3 369.512 2.629 20 5 FFBDHN CN(C)CCN(Cc1ccccc1F)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173028542 509357522 /nfs/dbraw/zinc/35/75/22/509357522.db2.gz ONULUHNXGDXPBZ-UHFFFAOYSA-N 0 3 359.401 2.867 20 5 FFBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173028834 509357996 /nfs/dbraw/zinc/35/79/96/509357996.db2.gz BLSDBSHEVAPCNE-UHFFFAOYSA-N 0 3 359.401 2.867 20 5 FFBDHN O=[N+]([O-])c1ccn(CCNC2(c3ccc(Br)cc3)CC2)n1 ZINC000176222017 509386361 /nfs/dbraw/zinc/38/63/61/509386361.db2.gz BKEYDPFOJCVONS-UHFFFAOYSA-N 0 3 351.204 2.833 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CCN(CC)C[C@@H]1C ZINC000173256896 509483329 /nfs/dbraw/zinc/48/33/29/509483329.db2.gz GVPRHDCWBZJQQA-BBRMVZONSA-N 0 3 369.487 2.508 20 5 FFBDHN CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])CC1(c2ccccc2)CC1 ZINC000189298187 509507862 /nfs/dbraw/zinc/50/78/62/509507862.db2.gz JREIMLMRCMWELA-KRWDZBQOSA-N 0 3 356.422 2.998 20 5 FFBDHN CN(C)CCn1cc(NCc2cc([N+](=O)[O-])ccc2OC(F)F)cn1 ZINC000236994601 509548101 /nfs/dbraw/zinc/54/81/01/509548101.db2.gz FXXWIONVPGEFES-UHFFFAOYSA-N 0 3 355.345 2.566 20 5 FFBDHN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000183029260 509556555 /nfs/dbraw/zinc/55/65/55/509556555.db2.gz CLVYCIKZBKRTBV-KBPBESRZSA-N 0 3 367.471 2.526 20 5 FFBDHN COc1ccc(CNC2CCN(Cc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000237355876 509632093 /nfs/dbraw/zinc/63/20/93/509632093.db2.gz BVYBUPVSRRQJEG-UHFFFAOYSA-N 0 3 356.426 2.753 20 5 FFBDHN CCc1ccc(C(=O)NC2CCN(CCOC(C)C)CC2)cc1[N+](=O)[O-] ZINC000176689181 509642972 /nfs/dbraw/zinc/64/29/72/509642972.db2.gz PJXYKCJXVLHVAV-UHFFFAOYSA-N 0 3 363.458 2.776 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)CC[C@H]2CCCCN2C)cc1C ZINC000173667909 509709355 /nfs/dbraw/zinc/70/93/55/509709355.db2.gz JQIZYUOBFLULIS-OAHLLOKOSA-N 0 3 369.487 2.707 20 5 FFBDHN CCN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000189723648 509721401 /nfs/dbraw/zinc/72/14/01/509721401.db2.gz YORINFGROGLUSP-QGZVFWFLSA-N 0 3 368.437 2.914 20 5 FFBDHN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NC1CCN(C2CC2)CC1 ZINC000268188897 509804621 /nfs/dbraw/zinc/80/46/21/509804621.db2.gz RXXOAZNBEMICHD-UHFFFAOYSA-N 0 3 352.822 2.674 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)cc1SC ZINC000177073637 509854935 /nfs/dbraw/zinc/85/49/35/509854935.db2.gz VURIHQHJSWRKDB-MNOVXSKESA-N 0 3 365.455 2.680 20 5 FFBDHN CC(C)CN(C(=O)CCOc1ccccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000265134972 509879081 /nfs/dbraw/zinc/87/90/81/509879081.db2.gz SRKLWQPDQUKXOH-UHFFFAOYSA-N 0 3 363.458 2.943 20 5 FFBDHN Cc1cccc([C@@H](C)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000173999426 509896919 /nfs/dbraw/zinc/89/69/19/509896919.db2.gz XNKRBDMIQLMXFQ-CQSZACIVSA-N 0 3 363.439 2.532 20 5 FFBDHN Cc1cccc([C@@H](C)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000174009546 509901059 /nfs/dbraw/zinc/90/10/59/509901059.db2.gz JLMWXRKIKGYCEU-CQSZACIVSA-N 0 3 363.439 2.532 20 5 FFBDHN CC(=O)c1cccc(OC[C@H](O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180420221 509919038 /nfs/dbraw/zinc/91/90/38/509919038.db2.gz HNIWXNDKEYCOGP-FZKQIMNGSA-N 0 3 358.394 2.888 20 5 FFBDHN C[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000180426340 509921369 /nfs/dbraw/zinc/92/13/69/509921369.db2.gz ZFZSMKMEVWGIAI-BLLLJJGKSA-N 0 3 361.354 2.594 20 5 FFBDHN O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186918045 509949237 /nfs/dbraw/zinc/94/92/37/509949237.db2.gz OHBFJFQMNCRCQA-UHFFFAOYSA-N 0 3 356.382 2.934 20 5 FFBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000180724414 510074595 /nfs/dbraw/zinc/07/45/95/510074595.db2.gz QXNSEPSQROWBMY-ZDUSSCGKSA-N 0 3 374.466 2.881 20 5 FFBDHN CCO[C@H]1C[C@](N)(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC000187283923 510170880 /nfs/dbraw/zinc/17/08/80/510170880.db2.gz PFBRCUQWVLSCED-YOEHRIQHSA-N 0 3 369.849 2.739 20 5 FFBDHN O=[N+]([O-])c1cc(CN[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)cs1 ZINC000265760802 510215221 /nfs/dbraw/zinc/21/52/21/510215221.db2.gz JUECEDWMOBRPBH-IRXDYDNUSA-N 0 3 361.467 2.629 20 5 FFBDHN CN1CC[C@@H]2[C@H](CCCN2c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000269091043 510231382 /nfs/dbraw/zinc/23/13/82/510231382.db2.gz LAHYQIPGLPIXIU-ZWNOBZJWSA-N 0 3 355.236 2.673 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H]2c2cccc(Cl)c2)c1 ZINC000174738453 510283405 /nfs/dbraw/zinc/28/34/05/510283405.db2.gz RYFKKCFKKGWBLO-HOTGVXAUSA-N 0 3 350.806 2.643 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CCN(CC)C[C@H]1C ZINC000246092396 510288033 /nfs/dbraw/zinc/28/80/33/510288033.db2.gz GVPRHDCWBZJQQA-CZUORRHYSA-N 0 3 369.487 2.508 20 5 FFBDHN C[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(N2CCOC2=O)cc1 ZINC000181280546 510336921 /nfs/dbraw/zinc/33/69/21/510336921.db2.gz SDWFVTJGQQDSPW-UGSOOPFHSA-N 0 3 371.393 2.936 20 5 FFBDHN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCN[C@@H](C)[C@H]3C)cc2[N+](=O)[O-])C1 ZINC000262743770 510393289 /nfs/dbraw/zinc/39/32/89/510393289.db2.gz FIBCMFOBMCYIRF-XUWVNRHRSA-N 0 3 374.485 2.900 20 5 FFBDHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000175037492 510451550 /nfs/dbraw/zinc/45/15/50/510451550.db2.gz RFDAARZQRIDTCS-DLBZAZTESA-N 0 3 372.469 2.894 20 5 FFBDHN CCOC(=O)c1ccnc(N[C@H](C)CN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000246653359 510602788 /nfs/dbraw/zinc/60/27/88/510602788.db2.gz JKNIMFFTAQNWCI-CHWSQXEVSA-N 0 3 350.419 2.699 20 5 FFBDHN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCCN(C2CCCC2)CC1 ZINC000172423313 510720142 /nfs/dbraw/zinc/72/01/42/510720142.db2.gz PXOLSUTVVJWPQJ-UHFFFAOYSA-N 0 3 362.386 2.594 20 5 FFBDHN COc1ccc([C@@H](C)NCCn2ccc([N+](=O)[O-])n2)cc1Br ZINC000182060748 510735158 /nfs/dbraw/zinc/73/51/58/510735158.db2.gz ZBYRKYGKXVDAAN-SNVBAGLBSA-N 0 3 369.219 2.913 20 5 FFBDHN Cc1ccccc1OCCN(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182190858 510805246 /nfs/dbraw/zinc/80/52/46/510805246.db2.gz XSQHAFXZJKPYRE-MRXNPFEDSA-N 0 3 360.410 2.654 20 5 FFBDHN CC(NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)(c1ccccc1)c1ccccc1 ZINC000182215759 510816875 /nfs/dbraw/zinc/81/68/75/510816875.db2.gz KRCXOMTWUXDGAQ-IBGZPJMESA-N 0 3 366.421 2.706 20 5 FFBDHN C[C@@H]1CN(CC2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)C[C@@H](C)O1 ZINC000263839676 510852144 /nfs/dbraw/zinc/85/21/44/510852144.db2.gz VRIYENHCXLYMJP-CHWSQXEVSA-N 0 3 367.471 2.618 20 5 FFBDHN Cn1nccc1[C@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000360306198 510894489 /nfs/dbraw/zinc/89/44/89/510894489.db2.gz SWLRGOVHKKUYKE-AWEZNQCLSA-N 0 3 357.414 2.537 20 5 FFBDHN CN1CC[C@]2(CCN(C(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])C2)C1 ZINC000293925717 510901362 /nfs/dbraw/zinc/90/13/62/510901362.db2.gz PWSLZSASJVOIQW-FQEVSTJZSA-N 0 3 366.421 2.825 20 5 FFBDHN Cc1ccc([C@H](C)NC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000364725451 511045268 /nfs/dbraw/zinc/04/52/68/511045268.db2.gz SWGFTLUDSGYZLV-WRUATKAJSA-N 0 3 361.442 2.613 20 5 FFBDHN Cc1ccc(CN2CCC(N3CCN(C(C)C)CC3)CC2)cc1[N+](=O)[O-] ZINC000271184713 511112220 /nfs/dbraw/zinc/11/22/20/511112220.db2.gz DLBLSYSSGNTKFR-UHFFFAOYSA-N 0 3 360.502 2.894 20 5 FFBDHN COCCCN(C(=O)c1cccc(Cl)c1[N+](=O)[O-])C1CCN(C)CC1 ZINC000291392752 511180070 /nfs/dbraw/zinc/18/00/70/511180070.db2.gz GRRTZLZDRCGTQK-UHFFFAOYSA-N 0 3 369.849 2.821 20 5 FFBDHN CCOC(=O)[C@H](C)[C@H](C)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000283019867 511202129 /nfs/dbraw/zinc/20/21/29/511202129.db2.gz GVDOIGVCKIWQFR-OUAUKWLOSA-N 0 3 371.821 2.753 20 5 FFBDHN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295081154 511274790 /nfs/dbraw/zinc/27/47/90/511274790.db2.gz IFTSOZQSFIEDBR-MJGOQNOKSA-N 0 3 357.410 2.760 20 5 FFBDHN Cn1cc([C@H]2CN(Cc3ccc([N+](=O)[O-])c(F)c3)CC23CCOCC3)cn1 ZINC000295108539 511284820 /nfs/dbraw/zinc/28/48/20/511284820.db2.gz IEDSCLMWRWKCJN-MRXNPFEDSA-N 0 3 374.416 2.864 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](CCO)c1ccccc1 ZINC000271765767 511316121 /nfs/dbraw/zinc/31/61/21/511316121.db2.gz NCFXGXYGRKIVBN-SFHVURJKSA-N 0 3 357.410 2.945 20 5 FFBDHN Cc1nc2ccccc2n1C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000280217717 511379107 /nfs/dbraw/zinc/37/91/07/511379107.db2.gz KWINVMRDORFOAL-UHFFFAOYSA-N 0 3 354.414 2.787 20 5 FFBDHN CC(C)N(CCOCCO)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000283680738 511459381 /nfs/dbraw/zinc/45/93/81/511459381.db2.gz HIUJSFLJDBDCNL-UHFFFAOYSA-N 0 3 361.236 2.577 20 5 FFBDHN COc1ccc(OCCN(C)[C@H](CC(N)=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000280510801 511493590 /nfs/dbraw/zinc/49/35/90/511493590.db2.gz NNDWQAODCNDJLB-MRXNPFEDSA-N 0 3 373.409 2.531 20 5 FFBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000280558366 511510910 /nfs/dbraw/zinc/51/09/10/511510910.db2.gz UTOULCANDSLATP-ABAIWWIYSA-N 0 3 369.824 2.873 20 5 FFBDHN COCCc1ccc(OC[C@@H](O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000296677996 511848953 /nfs/dbraw/zinc/84/89/53/511848953.db2.gz HSYJGIJMCQICNS-KXBFYZLASA-N 0 3 374.437 2.874 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000366199332 511896675 /nfs/dbraw/zinc/89/66/75/511896675.db2.gz GKZBWHACVKFNKU-GOEBONIOSA-N 0 3 354.410 2.773 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293353962 511934688 /nfs/dbraw/zinc/93/46/88/511934688.db2.gz KXMZRIYPIUGQTA-LKFCYVNXSA-N 0 3 357.332 2.826 20 5 FFBDHN Cc1noc(C)c1CN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274836977 511958849 /nfs/dbraw/zinc/95/88/49/511958849.db2.gz NNLINJUMABTZQM-UHFFFAOYSA-N 0 3 370.413 2.788 20 5 FFBDHN CN1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)C2)C1 ZINC000293648796 512038314 /nfs/dbraw/zinc/03/83/14/512038314.db2.gz GTIAXIAGGCELGB-FQEVSTJZSA-N 0 3 372.469 2.753 20 5 FFBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000293697112 512055259 /nfs/dbraw/zinc/05/52/59/512055259.db2.gz MYQQGYANNGFEEG-AWEZNQCLSA-N 0 3 361.442 2.940 20 5 FFBDHN C[C@H](N[C@@H]1CCO[C@H]1C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000373811847 512518308 /nfs/dbraw/zinc/51/83/08/512518308.db2.gz GGXKNUOBTARGRJ-AMFBXLIHSA-N 0 3 353.806 2.732 20 5 FFBDHN Cc1c([C@@H](C)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000376193883 512703298 /nfs/dbraw/zinc/70/32/98/512703298.db2.gz GMGZWZRCGCRMGK-HUUCEWRRSA-N 0 3 368.437 2.932 20 5 FFBDHN CCN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000378406442 512742800 /nfs/dbraw/zinc/74/28/00/512742800.db2.gz UONIMWCDACWSTO-GDBMZVCRSA-N 0 3 371.441 2.626 20 5 FFBDHN CN1C[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000374301616 512753550 /nfs/dbraw/zinc/75/35/50/512753550.db2.gz KKVJQGDKDAHADR-RTBURBONSA-N 0 3 353.422 2.741 20 5 FFBDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000370162096 512796910 /nfs/dbraw/zinc/79/69/10/512796910.db2.gz NLUHUNMLIITXJN-HNNXBMFYSA-N 0 3 354.410 2.524 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCc2ccccc2OC1 ZINC000374540056 512880225 /nfs/dbraw/zinc/88/02/25/512880225.db2.gz VWISZQJZZDXRCW-CQSZACIVSA-N 0 3 371.393 2.525 20 5 FFBDHN O=C(NC1CC(N2CCCCC2)C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000376596882 512891763 /nfs/dbraw/zinc/89/17/63/512891763.db2.gz XLDFJPAHMPOISW-UHFFFAOYSA-N 0 3 369.425 2.527 20 5 FFBDHN CC(C)(C)OC(=O)CC[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000412060134 512937617 /nfs/dbraw/zinc/93/76/17/512937617.db2.gz DZBYMHPXGHJUJK-CQSZACIVSA-N 0 3 352.435 2.625 20 5 FFBDHN O=[N+]([O-])c1ccc(CNCC2(O)CCN(Cc3ccccc3)CC2)c(F)c1 ZINC000397484430 512946737 /nfs/dbraw/zinc/94/67/37/512946737.db2.gz AJVBFDYSFFYBAP-UHFFFAOYSA-N 0 3 373.428 2.851 20 5 FFBDHN CN(C)C[C@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])c2ccccc2O1 ZINC000370503323 512967252 /nfs/dbraw/zinc/96/72/52/512967252.db2.gz RHBGCOKUQORQFF-ZDUSSCGKSA-N 0 3 359.357 2.703 20 5 FFBDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000370582885 513003290 /nfs/dbraw/zinc/00/32/90/513003290.db2.gz LAIPKZQVADUZIC-QGZVFWFLSA-N 0 3 368.437 2.974 20 5 FFBDHN O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000428553613 513128276 /nfs/dbraw/zinc/12/82/76/513128276.db2.gz XOPGYSPXHMSWAM-QGZVFWFLSA-N 0 3 359.357 2.553 20 5 FFBDHN CCC(CC)[C@@H](CNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])N(C)C ZINC000440077607 513241356 /nfs/dbraw/zinc/24/13/56/513241356.db2.gz KEOZMYOBFNBHJD-OAHLLOKOSA-N 0 3 357.476 2.548 20 5 FFBDHN C[C@H]1C[C@@H]1N1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H](C)C1 ZINC000428992588 513242811 /nfs/dbraw/zinc/24/28/11/513242811.db2.gz BHAUZZYUBWEZOP-KEYYUXOJSA-N 0 3 371.441 2.807 20 5 FFBDHN CC(C)N(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C[C@@H](O)CO ZINC000421410934 513253144 /nfs/dbraw/zinc/25/31/44/513253144.db2.gz PVXUERLSTPGZDF-OAHLLOKOSA-N 0 3 350.440 2.887 20 5 FFBDHN C[C@H](CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000450569626 513254988 /nfs/dbraw/zinc/25/49/88/513254988.db2.gz VHIYDGNSXJEGRR-OAHLLOKOSA-N 0 3 361.442 2.938 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCCN[C@@]2(CO)CCOc3ccccc32)cc1 ZINC000440490587 513332865 /nfs/dbraw/zinc/33/28/65/513332865.db2.gz UZJGDCRUUICDQB-LJQANCHMSA-N 0 3 358.394 2.624 20 5 FFBDHN O=C(c1ccccc1[N+](=O)[O-])N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425000634 513360428 /nfs/dbraw/zinc/36/04/28/513360428.db2.gz ISVYHONWRMNOTD-QFBILLFUSA-N 0 3 351.406 2.941 20 5 FFBDHN Cc1c(NC(=O)N2C[C@@H](C)NC[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000415647248 513361678 /nfs/dbraw/zinc/36/16/78/513361678.db2.gz AKDNFIPNOJTKQS-RKDXNWHRSA-N 0 3 371.235 2.880 20 5 FFBDHN CCc1nn(C)c(CC)c1CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447587707 513515831 /nfs/dbraw/zinc/51/58/31/513515831.db2.gz RXXWRDAUWAQTDH-NVXWUHKLSA-N 0 3 360.462 2.923 20 5 FFBDHN O=[N+]([O-])c1ccc(CN[C@@H](C2CCOCC2)C2(CO)CCC2)c(F)c1 ZINC000425371053 513534158 /nfs/dbraw/zinc/53/41/58/513534158.db2.gz KIKDTHNFMLIFDQ-KRWDZBQOSA-N 0 3 352.406 2.781 20 5 FFBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCN(CCc4cccs4)CC3)nc2c1 ZINC000447672835 513538001 /nfs/dbraw/zinc/53/80/01/513538001.db2.gz VZPNQMNGAJXIPY-UHFFFAOYSA-N 0 3 357.439 2.897 20 5 FFBDHN C[C@@H]1CN(CCCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CCCO1 ZINC000413262294 513555550 /nfs/dbraw/zinc/55/55/50/513555550.db2.gz JRKYXCNKVMAIQA-LLVKDONJSA-N 0 3 362.352 2.921 20 5 FFBDHN COc1ccc(-c2ccc(CNCC3([S@](C)=O)CC3)o2)c([N+](=O)[O-])c1 ZINC000441386222 513558595 /nfs/dbraw/zinc/55/85/95/513558595.db2.gz WLNAKHNALZMCLG-VWLOTQADSA-N 0 3 364.423 2.864 20 5 FFBDHN CCC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2OC)CCN1CCOC ZINC000430202445 513586935 /nfs/dbraw/zinc/58/69/35/513586935.db2.gz CTDNGRFRDJNTRA-QGZVFWFLSA-N 0 3 351.447 2.536 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCN2C2CCCCC2)cc1 ZINC000435629701 513643733 /nfs/dbraw/zinc/64/37/33/513643733.db2.gz USVMVVUQPHTKMQ-INIZCTEOSA-N 0 3 367.471 2.670 20 5 FFBDHN O=C1CCN1c1cccc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000442827175 513788225 /nfs/dbraw/zinc/78/82/25/513788225.db2.gz YRIUANKKLYPLFN-DLBZAZTESA-N 0 3 369.425 2.802 20 5 FFBDHN O=C1CCN1c1cccc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000442827184 513788369 /nfs/dbraw/zinc/78/83/69/513788369.db2.gz YRIUANKKLYPLFN-SJORKVTESA-N 0 3 369.425 2.802 20 5 FFBDHN COc1ccc(NC(=O)[C@@H](C)N2CCNCc3ccccc32)c([N+](=O)[O-])c1 ZINC000430960900 513793063 /nfs/dbraw/zinc/79/30/63/513793063.db2.gz AMHWHQSEFCDVBY-CYBMUJFWSA-N 0 3 370.409 2.540 20 5 FFBDHN COc1ccc(CN(C)CCCO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000442971767 513831750 /nfs/dbraw/zinc/83/17/50/513831750.db2.gz YKIYTMUCEGZFQB-UHFFFAOYSA-N 0 3 360.410 2.997 20 5 FFBDHN O=C(CN[C@@H]([C@@H](CO)C1CC1)C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451612799 513866175 /nfs/dbraw/zinc/86/61/75/513866175.db2.gz QGNJNCDXVRDMRP-SUMWQHHRSA-N 0 3 367.833 2.573 20 5 FFBDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448925122 513972349 /nfs/dbraw/zinc/97/23/49/513972349.db2.gz MCMSKMNNXXINOF-HNNXBMFYSA-N 0 3 369.425 2.527 20 5 FFBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@](C)(O)CCN(C)C ZINC000420008100 513995328 /nfs/dbraw/zinc/99/53/28/513995328.db2.gz DDLXHGCVSPMJCT-KRWDZBQOSA-N 0 3 369.487 2.529 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000426862486 514061358 /nfs/dbraw/zinc/06/13/58/514061358.db2.gz SXWXZXUKTGHXAK-KRWDZBQOSA-N 0 3 357.410 2.945 20 5 FFBDHN O=[N+]([O-])c1ccccc1C[C@@H](Nc1ccc(N2CCNCC2)cn1)C1CC1 ZINC000423237988 514088049 /nfs/dbraw/zinc/08/80/49/514088049.db2.gz UOXCXXUXGUZBMY-GOSISDBHSA-N 0 3 367.453 2.833 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@]3(CCSC3)C2)c1 ZINC000451963709 514098201 /nfs/dbraw/zinc/09/82/01/514098201.db2.gz IURGVNBELQKNLI-WBVHZDCISA-N 0 3 352.456 2.554 20 5 FFBDHN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000420342833 514103177 /nfs/dbraw/zinc/10/31/77/514103177.db2.gz YGPKSRNQGSZGQN-HNAYVOBHSA-N 0 3 368.437 2.877 20 5 FFBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000449240672 514126690 /nfs/dbraw/zinc/12/66/90/514126690.db2.gz OHLGMOJPIUNIJB-QAPCUYQASA-N 0 3 368.437 2.702 20 5 FFBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@H]1CS(=O)(=O)c2ccccc21 ZINC000449360928 514179403 /nfs/dbraw/zinc/17/94/03/514179403.db2.gz VYINOTBBCBSYPL-HIFRSBDPSA-N 0 3 360.435 2.687 20 5 FFBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](CO)c1ccc(F)cc1 ZINC000449380236 514187437 /nfs/dbraw/zinc/18/74/37/514187437.db2.gz MIGMHSJNBFDAFL-PXAZEXFGSA-N 0 3 361.373 2.774 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)CNCCO3)c1 ZINC000423650735 514194183 /nfs/dbraw/zinc/19/41/83/514194183.db2.gz MBCIMQZDMFIPKT-UHFFFAOYSA-N 0 3 357.366 2.728 20 5 FFBDHN COc1cc(C(=O)NC[C@H]2NCCc3ccccc32)cc([N+](=O)[O-])c1C ZINC000423677082 514198816 /nfs/dbraw/zinc/19/88/16/514198816.db2.gz RPRWUDBGFDTIPE-MRXNPFEDSA-N 0 3 355.394 2.529 20 5 FFBDHN COC[C@@]1(C(=O)OC)CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000449455037 514217220 /nfs/dbraw/zinc/21/72/20/514217220.db2.gz QDEHKNKMTXWWEV-GOSISDBHSA-N 0 3 350.415 2.730 20 5 FFBDHN CCc1ccccc1[C@@H](N)CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000414654409 514223469 /nfs/dbraw/zinc/22/34/69/514223469.db2.gz JIEZUKCQTXCVIS-HNNXBMFYSA-N 0 3 358.398 2.987 20 5 FFBDHN COC(=O)COc1ccc(CNCc2cc(C)cs2)cc1[N+](=O)[O-] ZINC000449481398 514225549 /nfs/dbraw/zinc/22/55/49/514225549.db2.gz SQXKDXNHMMTICB-UHFFFAOYSA-N 0 3 350.396 2.806 20 5 FFBDHN COC(=O)COc1ccc(CN2C[C@H](C3CC3)[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000449542635 514247611 /nfs/dbraw/zinc/24/76/11/514247611.db2.gz QUYKEFHRFITTCE-BEFAXECRSA-N 0 3 360.410 2.767 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](N(C)C)Cc2ccccc21 ZINC000427597523 514260672 /nfs/dbraw/zinc/26/06/72/514260672.db2.gz VPZPOLJDGPXZSX-OAHLLOKOSA-N 0 3 355.394 2.737 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](N)c2ccccc2CC)c1 ZINC000423948020 514302381 /nfs/dbraw/zinc/30/23/81/514302381.db2.gz WPQDJPZBCTZRDD-KRWDZBQOSA-N 0 3 357.410 2.986 20 5 FFBDHN Cn1ccnc1[C@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000449774706 514348765 /nfs/dbraw/zinc/34/87/65/514348765.db2.gz PFAULXSKNWJKOS-SWLSCSKDSA-N 0 3 350.806 2.992 20 5 FFBDHN COc1cc(CNC[C@@H]2NCCc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000414964431 514377530 /nfs/dbraw/zinc/37/75/30/514377530.db2.gz YLTDIXLRHUMNJO-INIZCTEOSA-N 0 3 357.410 2.589 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H](CC(F)(F)F)C2)c1 ZINC000420938479 514388762 /nfs/dbraw/zinc/38/87/62/514388762.db2.gz AWYVRSDJBZDBOM-GXTWGEPZSA-N 0 3 362.348 2.999 20 5 FFBDHN CN(C)C(=O)[C@@H]1CC[C@H](CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)O1 ZINC000433226820 514427303 /nfs/dbraw/zinc/42/73/03/514427303.db2.gz IFBIZNXZDCDRJG-COXVUDFISA-N 0 3 361.442 2.543 20 5 FFBDHN CN(CC[C@H]1CCCCN1C)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000449964771 514444720 /nfs/dbraw/zinc/44/47/20/514444720.db2.gz KANRDJBFLGIYGZ-MRXNPFEDSA-N 0 3 361.442 2.891 20 5 FFBDHN COc1cccc([C@@H](CNc2ncc([N+](=O)[O-])c(C)n2)N2CCCC2)c1 ZINC000450219093 514548907 /nfs/dbraw/zinc/54/89/07/514548907.db2.gz BTAAGWJUGWRYIF-QGZVFWFLSA-N 0 3 357.414 2.951 20 5 FFBDHN CCOC(=O)[C@]1(COC)CCCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000439484838 514562575 /nfs/dbraw/zinc/56/25/75/514562575.db2.gz FTFLJRHNYIJMST-RDTXWAMCSA-N 0 3 350.415 2.948 20 5 FFBDHN CCOC(=O)[C@@]1(COC)CCCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000439485732 514564364 /nfs/dbraw/zinc/56/43/64/514564364.db2.gz UOGXGTOPEJHNRW-SFHVURJKSA-N 0 3 350.415 2.695 20 5 FFBDHN CN1CCC(Cc2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)CC1 ZINC000453238505 514575798 /nfs/dbraw/zinc/57/57/98/514575798.db2.gz NZMUOFBJDMVJSV-UHFFFAOYSA-N 0 3 357.414 2.887 20 5 FFBDHN Cc1cc(NC(=O)COc2ccccc2[N+](=O)[O-])ccc1OCCN(C)C ZINC000458188491 514613241 /nfs/dbraw/zinc/61/32/41/514613241.db2.gz AQJRTCHUVMTBPE-UHFFFAOYSA-N 0 3 373.409 2.861 20 5 FFBDHN COC(=O)COc1ccc(CN2CCC[C@@](C)(OC)CC2)cc1[N+](=O)[O-] ZINC000475559684 514714200 /nfs/dbraw/zinc/71/42/00/514714200.db2.gz FHARAVZLUXNTMO-GOSISDBHSA-N 0 3 366.414 2.538 20 5 FFBDHN CCC1(CC)[C@H](N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1OC ZINC000479892746 514762233 /nfs/dbraw/zinc/76/22/33/514762233.db2.gz VFBYXVOEUGXDLD-BBWFWOEESA-N 0 3 361.442 2.883 20 5 FFBDHN COc1c(C(=O)N(Cc2ccco2)C2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000476046129 514897236 /nfs/dbraw/zinc/89/72/36/514897236.db2.gz ZSEDMGUCDSMWGI-UHFFFAOYSA-N 0 3 373.409 2.933 20 5 FFBDHN CCCCN(C)CCNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000489677467 514934183 /nfs/dbraw/zinc/93/41/83/514934183.db2.gz MOZQIVJMRVVAFO-UHFFFAOYSA-N 0 3 363.867 2.567 20 5 FFBDHN CC(C)(CC[NH+]1CCCCCC1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000476562805 515103856 /nfs/dbraw/zinc/10/38/56/515103856.db2.gz IOAOLKDTCIQGRR-UHFFFAOYSA-N 0 3 369.487 2.918 20 5 FFBDHN COc1c(C(=O)NCC2CCN(c3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000476577343 515112411 /nfs/dbraw/zinc/11/24/11/515112411.db2.gz QZNGMMUOKNQRDX-UHFFFAOYSA-N 0 3 370.409 2.645 20 5 FFBDHN COc1c(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000476696906 515161936 /nfs/dbraw/zinc/16/19/36/515161936.db2.gz VVZAFWUDJXDZOG-WMLDXEAASA-N 0 3 369.421 2.854 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)CCN(C(C)C)C(C)C ZINC000503965801 515184393 /nfs/dbraw/zinc/18/43/93/515184393.db2.gz UHWXLZVVHDRNPO-UHFFFAOYSA-N 0 3 371.503 2.951 20 5 FFBDHN CC(C)O[C@@H]1C[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000462848964 515268432 /nfs/dbraw/zinc/26/84/32/515268432.db2.gz ZMIJIRSSKRPLCH-HZPDHXFCSA-N 0 3 370.471 2.550 20 5 FFBDHN CO[C@@H](c1ccccc1Cl)[C@H](C)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000481513040 515355002 /nfs/dbraw/zinc/35/50/02/515355002.db2.gz CXZNWUXSHLZQDI-YVEFUNNKSA-N 0 3 365.817 2.776 20 5 FFBDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000491256631 515402179 /nfs/dbraw/zinc/40/21/79/515402179.db2.gz UXOZXQSWEVSFSA-HNNXBMFYSA-N 0 3 366.421 2.979 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCN3CCC2CC3)nc1OCc1ccccc1 ZINC000468600685 515429924 /nfs/dbraw/zinc/42/99/24/515429924.db2.gz SHWMPNDDMYDXGA-UHFFFAOYSA-N 0 3 354.410 2.853 20 5 FFBDHN C[C@H](CO)N1CCCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000468749178 515502241 /nfs/dbraw/zinc/50/22/41/515502241.db2.gz JEOYXINFRHFZDV-CQSZACIVSA-N 0 3 351.447 2.665 20 5 FFBDHN COc1cccc([C@@H]2[C@@H](NC(=O)c3ccc([N+](=O)[O-])[n-]3)CC[N@@H+]2C2CC2)c1 ZINC000482047138 515557338 /nfs/dbraw/zinc/55/73/38/515557338.db2.gz WAZRZHZECOTURE-MAUKXSAKSA-N 0 3 370.409 2.639 20 5 FFBDHN COc1cccc([C@@H]2[C@@H](NC(=O)c3ccc([N+](=O)[O-])[n-]3)CC[N@H+]2C2CC2)c1 ZINC000482047138 515557349 /nfs/dbraw/zinc/55/73/49/515557349.db2.gz WAZRZHZECOTURE-MAUKXSAKSA-N 0 3 370.409 2.639 20 5 FFBDHN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCN(C2CCCCC2)CC1 ZINC000482075661 515566461 /nfs/dbraw/zinc/56/64/61/515566461.db2.gz XRRXLKZSIHOKQG-UHFFFAOYSA-N 0 3 360.458 2.874 20 5 FFBDHN CCOc1cc(CN[C@H]2CCO[C@@H]2c2cnn(C)c2C)ccc1[N+](=O)[O-] ZINC000492888675 515575369 /nfs/dbraw/zinc/57/53/69/515575369.db2.gz JKLOSZOGVBZEEZ-MAUKXSAKSA-N 0 3 360.414 2.655 20 5 FFBDHN COc1cc(CN2C[C@@H](C)N(C)C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000505627287 515614743 /nfs/dbraw/zinc/61/47/43/515614743.db2.gz BXKANRXTAPVJIS-VXGBXAGGSA-N 0 3 373.400 2.772 20 5 FFBDHN C[C@H]1CN(CCCCNc2nc3ccccc3cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000473515015 515642880 /nfs/dbraw/zinc/64/28/80/515642880.db2.gz UKXAYZFGKRGCEL-GJZGRUSLSA-N 0 3 358.442 2.866 20 5 FFBDHN C[C@@H](CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)N(C)C1CC1 ZINC000454659709 515647903 /nfs/dbraw/zinc/64/79/03/515647903.db2.gz RPXDXEZGWYFQDH-GOEBONIOSA-N 0 3 360.458 2.967 20 5 FFBDHN COc1cc(CN[C@H]2CCC[C@@]2(C)CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000493738912 515660212 /nfs/dbraw/zinc/66/02/12/515660212.db2.gz WECMUJQAOSHEQN-RDJZCZTQSA-N 0 3 374.384 2.888 20 5 FFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@H]1C ZINC000493891584 515678810 /nfs/dbraw/zinc/67/88/10/515678810.db2.gz OEJLICDPQHHOSB-HUUCEWRRSA-N 0 3 369.487 2.705 20 5 FFBDHN COc1cc(CN[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000459602165 515686149 /nfs/dbraw/zinc/68/61/49/515686149.db2.gz YNRKCQXUJOOSNT-ZYHUDNBSSA-N 0 3 364.320 2.548 20 5 FFBDHN C[C@@H](CCCc1cccnc1)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000459637035 515712710 /nfs/dbraw/zinc/71/27/10/515712710.db2.gz HVTQUNKWHYAGRX-HNNXBMFYSA-N 0 3 368.437 2.880 20 5 FFBDHN C[C@H](CCCc1cccnc1)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000459643890 515716395 /nfs/dbraw/zinc/71/63/95/515716395.db2.gz OVVPBUKWFVCOFT-OAHLLOKOSA-N 0 3 368.437 2.880 20 5 FFBDHN COc1ccc(NC(=O)CN[C@@H](C)CCCc2cccnc2)c([N+](=O)[O-])c1 ZINC000459643878 515717329 /nfs/dbraw/zinc/71/73/29/515717329.db2.gz OUHIXAJWIWTXNY-AWEZNQCLSA-N 0 3 372.425 2.938 20 5 FFBDHN CCOC[C@@H]1CCCCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000459728268 515773456 /nfs/dbraw/zinc/77/34/56/515773456.db2.gz ZFHQRRATNKQRJX-HNNXBMFYSA-N 0 3 363.414 2.784 20 5 FFBDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)N(C)C ZINC000464419896 515816809 /nfs/dbraw/zinc/81/68/09/515816809.db2.gz NZFRIWRZNMCVKA-RHSMWYFYSA-N 0 3 373.457 2.642 20 5 FFBDHN COc1ccccc1[C@H]1[C@@H](N)CCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000457367639 515830291 /nfs/dbraw/zinc/83/02/91/515830291.db2.gz WURDPJAMYRXVGK-BBRMVZONSA-N 0 3 361.423 2.970 20 5 FFBDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1c(N)cccc1[N+](=O)[O-])N(C)C ZINC000487438967 515861919 /nfs/dbraw/zinc/86/19/19/515861919.db2.gz JIODUNJWLINCEN-ACJLOTCBSA-N 0 3 356.426 2.907 20 5 FFBDHN CC1(C)CCCN(CCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000487515032 515887181 /nfs/dbraw/zinc/88/71/81/515887181.db2.gz OBKGLVHGTDVWAU-UHFFFAOYSA-N 0 3 355.385 2.654 20 5 FFBDHN C[C@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)N1CCC[C@H](C)C1 ZINC000511471403 515917811 /nfs/dbraw/zinc/91/78/11/515917811.db2.gz AORYDJHUBHUQQH-JKSUJKDBSA-N 0 3 362.474 2.899 20 5 FFBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H]1CN(C)C ZINC000464925371 516017611 /nfs/dbraw/zinc/01/76/11/516017611.db2.gz IUHGHZWXEHFKCY-DGCLKSJQSA-N 0 3 355.822 2.568 20 5 FFBDHN CS[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H]1N1CCCC1 ZINC000483386854 516057324 /nfs/dbraw/zinc/05/73/24/516057324.db2.gz MVDSUBMNRKALQQ-CABCVRRESA-N 0 3 369.874 2.900 20 5 FFBDHN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@@H]1CCN(C2CC2)C1 ZINC000495181090 516091721 /nfs/dbraw/zinc/09/17/21/516091721.db2.gz BTBYDRUJCWNAGZ-GFCCVEGCSA-N 0 3 372.347 2.650 20 5 FFBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@@H]1CCCCN1C1CC1 ZINC000470162923 516153906 /nfs/dbraw/zinc/15/39/06/516153906.db2.gz IISRYBDNEYOPFX-KRWDZBQOSA-N 0 3 356.426 2.683 20 5 FFBDHN C[C@@H]1CSC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000512204769 516196409 /nfs/dbraw/zinc/19/64/09/516196409.db2.gz VPBSWEDTMZJGQL-PRHODGIISA-N 0 3 374.260 2.637 20 5 FFBDHN CN(CCCNC(=O)NCCc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000465616468 516210489 /nfs/dbraw/zinc/21/04/89/516210489.db2.gz SOYCZFMRGPXIEE-UHFFFAOYSA-N 0 3 370.453 2.959 20 5 FFBDHN Cn1cc(-c2ncc(CNCCc3ccc(Cl)cc3[N+](=O)[O-])cn2)cn1 ZINC000474931828 516240177 /nfs/dbraw/zinc/24/01/77/516240177.db2.gz YAJSBDFPFCQYHR-UHFFFAOYSA-N 0 3 372.816 2.771 20 5 FFBDHN CN(C)C(=O)C[C@H](NCCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000561107721 516383027 /nfs/dbraw/zinc/38/30/27/516383027.db2.gz PEBYVBCRPUUERT-SFHVURJKSA-N 0 3 357.410 2.783 20 5 FFBDHN COC(=O)COc1ccc(CNCC2(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000512913798 516412044 /nfs/dbraw/zinc/41/20/44/516412044.db2.gz UEWBZULIHKZFFU-UHFFFAOYSA-N 0 3 362.304 2.579 20 5 FFBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(CCc2ccc(O)cc2)CC1 ZINC000535583986 516412337 /nfs/dbraw/zinc/41/23/37/516412337.db2.gz XMBJNTPBCXYEPG-UHFFFAOYSA-N 0 3 371.437 2.807 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000531388795 516445581 /nfs/dbraw/zinc/44/55/81/516445581.db2.gz CVOMBFKJRMAUAF-PBHICJAKSA-N 0 3 356.426 2.574 20 5 FFBDHN Cc1ccccc1[C@@H](CO)NCCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000543837984 516452414 /nfs/dbraw/zinc/45/24/14/516452414.db2.gz JYMONGRHRBOUCG-QGZVFWFLSA-N 0 3 357.410 2.863 20 5 FFBDHN CC(C)[C@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)N1CCCCC1 ZINC000517818347 516461359 /nfs/dbraw/zinc/46/13/59/516461359.db2.gz PKVPLQAEJHUGLP-LJQANCHMSA-N 0 3 374.485 2.754 20 5 FFBDHN CCN(CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)c1ccsc1 ZINC000518456428 516667336 /nfs/dbraw/zinc/66/73/36/516667336.db2.gz BVDGWXZJKHPQOG-HNNXBMFYSA-N 0 3 350.444 2.808 20 5 FFBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000518462266 516670478 /nfs/dbraw/zinc/67/04/78/516670478.db2.gz XWTVORWYCAUNKQ-GJZGRUSLSA-N 0 3 371.441 2.631 20 5 FFBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000561721658 516732141 /nfs/dbraw/zinc/73/21/41/516732141.db2.gz VKVUDDDZKWVUPT-KRWDZBQOSA-N 0 3 360.458 2.796 20 5 FFBDHN Cc1c(Br)c(N(C)[C@H]2CCN(C)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000544392828 516739266 /nfs/dbraw/zinc/73/92/66/516739266.db2.gz BFBMFHMWOUIOFE-KOLCDFICSA-N 0 3 357.252 2.980 20 5 FFBDHN C[C@@H](CN(C)C)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000561770078 516762863 /nfs/dbraw/zinc/76/28/63/516762863.db2.gz RDUJEVVEDKQWQX-JTQLQIEISA-N 0 3 359.376 2.639 20 5 FFBDHN O=C(CN[C@@H](CO)C1CCCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000541053653 516847722 /nfs/dbraw/zinc/84/77/22/516847722.db2.gz JBZWVSISEVTOIA-HNNXBMFYSA-N 0 3 355.822 2.718 20 5 FFBDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000555417387 516919570 /nfs/dbraw/zinc/91/95/70/516919570.db2.gz NIAQMCOXJXYKJG-KKBVYLPWSA-N 0 3 359.426 2.859 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCCOc2ccc(Cl)cc2)c1 ZINC000551888158 516931724 /nfs/dbraw/zinc/93/17/24/516931724.db2.gz OFDDVKBDCCFNEZ-HNNXBMFYSA-N 0 3 366.801 2.657 20 5 FFBDHN C[C@@H](CCNS(=O)(=O)c1ccccc1)NCc1csc([N+](=O)[O-])c1 ZINC000558791339 516946270 /nfs/dbraw/zinc/94/62/70/516946270.db2.gz RSBIHKWVSZNLLE-LBPRGKRZSA-N 0 3 369.468 2.503 20 5 FFBDHN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C)[C@H](C(C)C)C1 ZINC000558834892 516964764 /nfs/dbraw/zinc/96/47/64/516964764.db2.gz NCSWOXRUZZTXOF-INIZCTEOSA-N 0 3 358.446 2.650 20 5 FFBDHN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CC[C@@H](N2CCCC2)C1 ZINC000555760962 517108088 /nfs/dbraw/zinc/10/80/88/517108088.db2.gz KIKHMKZOODTFCN-GFCCVEGCSA-N 0 3 357.332 2.924 20 5 FFBDHN COc1ccc(NC(=O)CCN2C[C@@H](C)S[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000532969378 517229415 /nfs/dbraw/zinc/22/94/15/517229415.db2.gz COTPVVUQFQRFCR-TXEJJXNPSA-N 0 3 353.444 2.758 20 5 FFBDHN O=C1C[C@@]2(CN1)CCCN(Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)C2 ZINC000537615561 517258866 /nfs/dbraw/zinc/25/88/66/517258866.db2.gz YEBSVMGZIFETFK-LJQANCHMSA-N 0 3 355.394 2.957 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000552513152 517291432 /nfs/dbraw/zinc/29/14/32/517291432.db2.gz ILTQCICOILRBLE-MAUKXSAKSA-N 0 3 360.385 2.963 20 5 FFBDHN Cc1ccccc1[C@@H](CO)NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000541984850 517321131 /nfs/dbraw/zinc/32/11/31/517321131.db2.gz ZMJNIUIFXCFHCE-MRXNPFEDSA-N 0 3 371.393 2.524 20 5 FFBDHN CN(c1ccccc1)c1ccc(CNCCN2CCOCC2)cc1[N+](=O)[O-] ZINC000556233739 517328671 /nfs/dbraw/zinc/32/86/71/517328671.db2.gz QIEFHXITOBTBAG-UHFFFAOYSA-N 0 3 370.453 2.785 20 5 FFBDHN CN(C)CCOc1ccc(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000526096822 517343383 /nfs/dbraw/zinc/34/33/83/517343383.db2.gz PNIZWMRBOCRWNN-UHFFFAOYSA-N 0 3 372.425 2.899 20 5 FFBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@@H]1[C@H]1CCCO1 ZINC000556521441 517476377 /nfs/dbraw/zinc/47/63/77/517476377.db2.gz WVKAUKSAYNDZNK-GDBMZVCRSA-N 0 3 361.398 2.536 20 5 FFBDHN C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@H](c1ccccc1)N(C)C ZINC000546024242 517497632 /nfs/dbraw/zinc/49/76/32/517497632.db2.gz MWFNMQPKDAVYRI-KZULUSFZSA-N 0 3 371.393 2.745 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[C@H](C)N2CCCCC2)c1C ZINC000542317906 517502307 /nfs/dbraw/zinc/50/23/07/517502307.db2.gz PHPQPGYNLUXKPF-AWEZNQCLSA-N 0 3 369.487 2.754 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000542404966 517542852 /nfs/dbraw/zinc/54/28/52/517542852.db2.gz CQCAWXXSPBUPSW-ZWNOBZJWSA-N 0 3 369.874 2.939 20 5 FFBDHN CNc1ccc(C(=O)NCc2ccccc2OCCN(C)C)cc1[N+](=O)[O-] ZINC000521213639 517652186 /nfs/dbraw/zinc/65/21/86/517652186.db2.gz UDNLSUZNFUITQH-UHFFFAOYSA-N 0 3 372.425 2.507 20 5 FFBDHN CCOc1cc(N2CCN(C[C@H]3CCCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000563220385 517748065 /nfs/dbraw/zinc/74/80/65/517748065.db2.gz MGUZNOWUPIQAED-QAPCUYQASA-N 0 3 363.458 2.667 20 5 FFBDHN CCN(C(=O)c1[nH]nc(C)c1[N+](=O)[O-])[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000521477127 517748023 /nfs/dbraw/zinc/74/80/23/517748023.db2.gz SDHYWDXZIUJTIZ-HOCLYGCPSA-N 0 3 371.441 2.924 20 5 FFBDHN CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000521477127 517748030 /nfs/dbraw/zinc/74/80/30/517748030.db2.gz SDHYWDXZIUJTIZ-HOCLYGCPSA-N 0 3 371.441 2.924 20 5 FFBDHN O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000557024156 517809886 /nfs/dbraw/zinc/80/98/86/517809886.db2.gz QOOAHVUIHKBLIL-HNNXBMFYSA-N 0 3 359.357 2.553 20 5 FFBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N1CCCC1 ZINC000534268731 517815852 /nfs/dbraw/zinc/81/58/52/517815852.db2.gz MYKKGPSSHGIMBC-ZDUSSCGKSA-N 0 3 367.471 2.547 20 5 FFBDHN Cc1nccn1CCCCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000560530039 517876609 /nfs/dbraw/zinc/87/66/09/517876609.db2.gz YJIQKAPJSQEZGW-GOSISDBHSA-N 0 3 368.441 2.993 20 5 FFBDHN CSC1(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCN(C)CC1 ZINC000521946287 517912584 /nfs/dbraw/zinc/91/25/84/517912584.db2.gz HFHRKNZRSLEYBU-UHFFFAOYSA-N 0 3 374.466 2.700 20 5 FFBDHN C[C@H]1CCCN(c2ccc(C(=O)NC[C@H]3CCCN3C)cc2[N+](=O)[O-])C1 ZINC000517087424 518018083 /nfs/dbraw/zinc/01/80/83/518018083.db2.gz QETXPKMIUFXJHA-GOEBONIOSA-N 0 3 360.458 2.655 20 5 FFBDHN CN1CC[C@@]2(CCN(C(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)C2)C1 ZINC000563733603 518097181 /nfs/dbraw/zinc/09/71/81/518097181.db2.gz ODVIAVSIKKVCGB-OAHLLOKOSA-N 0 3 357.332 2.781 20 5 FFBDHN COc1ccc(OCCN2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000543476706 518112149 /nfs/dbraw/zinc/11/21/49/518112149.db2.gz TZXHBOVOQKCFPL-ZBFHGGJFSA-N 0 3 352.431 2.711 20 5 FFBDHN COc1ccc(OCCN2CC[C@@H](C(C)(C)C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000543476703 518112195 /nfs/dbraw/zinc/11/21/95/518112195.db2.gz TZXHBOVOQKCFPL-GDBMZVCRSA-N 0 3 352.431 2.711 20 5 FFBDHN C[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC[C@@H]1C ZINC000535371127 518177020 /nfs/dbraw/zinc/17/70/20/518177020.db2.gz FEGMICBIGZKLSS-UONOGXRCSA-N 0 3 358.442 2.998 20 5 FFBDHN O=[N+]([O-])c1cccc(CN[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000575368858 518205813 /nfs/dbraw/zinc/20/58/13/518205813.db2.gz WKFYGRWPJYVDAR-QUCCMNQESA-N 0 3 355.438 2.567 20 5 FFBDHN CCOC(=O)c1ccnc(N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000581455830 518291782 /nfs/dbraw/zinc/29/17/82/518291782.db2.gz BJNYQAMCCALFRC-MELADBBJSA-N 0 3 364.446 2.945 20 5 FFBDHN COc1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C)c1OC ZINC000581515809 518323886 /nfs/dbraw/zinc/32/38/86/518323886.db2.gz JVGYMSPZFBGFOG-UHFFFAOYSA-N 0 3 360.414 2.954 20 5 FFBDHN C[C@H](CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)Oc1ccccc1F ZINC000575917392 518342883 /nfs/dbraw/zinc/34/28/83/518342883.db2.gz XGBTYMVVLOIEDL-UKRRQHHQSA-N 0 3 364.373 2.531 20 5 FFBDHN Cc1cccc(O[C@H](C)CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000575981315 518371154 /nfs/dbraw/zinc/37/11/54/518371154.db2.gz GJJNSDFJMJQMTG-NVXWUHKLSA-N 0 3 360.410 2.700 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@H](c2ccc(F)cc2)C1 ZINC000567541549 518575645 /nfs/dbraw/zinc/57/56/45/518575645.db2.gz FDDPGRFOINMXNQ-WBVHZDCISA-N 0 3 360.385 2.963 20 5 FFBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1ccc2cnn(C)c2c1 ZINC000582096438 518585533 /nfs/dbraw/zinc/58/55/33/518585533.db2.gz XCWSGNLPBACTJC-ZDUSSCGKSA-N 0 3 367.409 2.988 20 5 FFBDHN CN1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)[C@@H]2C1 ZINC000585783609 518596063 /nfs/dbraw/zinc/59/60/63/518596063.db2.gz KQEBSEGZCLRTHT-IAGOWNOFSA-N 0 3 372.400 2.705 20 5 FFBDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000588023659 518704717 /nfs/dbraw/zinc/70/47/17/518704717.db2.gz UCTYLORSMAGPHS-LJQANCHMSA-N 0 3 359.401 2.807 20 5 FFBDHN CO[C@H](C)CCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000589311577 518978375 /nfs/dbraw/zinc/97/83/75/518978375.db2.gz NPWVHIRXNRNHOL-SECBINFHSA-N 0 3 364.183 2.714 20 5 FFBDHN COC(=O)c1cccc(CN[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000571328630 519041040 /nfs/dbraw/zinc/04/10/40/519041040.db2.gz OYZDQQUIGOBXQZ-CYBMUJFWSA-N 0 3 371.393 2.888 20 5 FFBDHN CC(C)OCCN1CCC(Nc2ccc([N+](=O)[O-])c(OC(C)C)n2)CC1 ZINC000574290619 519083890 /nfs/dbraw/zinc/08/38/90/519083890.db2.gz MWJZHFMWZPSYLK-UHFFFAOYSA-N 0 3 366.462 2.500 20 5 FFBDHN CC(C)(C(=O)N1CCN(c2ccncc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000590032598 519132837 /nfs/dbraw/zinc/13/28/37/519132837.db2.gz BZUWUMXNGYOYJJ-UHFFFAOYSA-N 0 3 354.410 2.616 20 5 FFBDHN CN(CCCN(C)C(=O)CCc1cccc([N+](=O)[O-])c1)Cc1ccncc1 ZINC000577662798 519191377 /nfs/dbraw/zinc/19/13/77/519191377.db2.gz VXOROTZCSDCYAW-UHFFFAOYSA-N 0 3 370.453 2.903 20 5 FFBDHN COC(=O)c1ccnc(NC2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000590569393 519270586 /nfs/dbraw/zinc/27/05/86/519270586.db2.gz NBXIMYNDISGNSX-UHFFFAOYSA-N 0 3 370.409 2.853 20 5 FFBDHN COC(=O)c1c(Cl)c(N2CCC[C@H]3CN(C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000590581007 519273765 /nfs/dbraw/zinc/27/37/65/519273765.db2.gz GJPQAKNCGDGIEW-RYUDHWBXSA-N 0 3 367.833 2.955 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H](c2ccccn2)C1 ZINC000590599093 519283953 /nfs/dbraw/zinc/28/39/53/519283953.db2.gz AAJCNIQSDXBRAU-JKSUJKDBSA-N 0 3 357.410 2.609 20 5 FFBDHN CCN(CC)c1ccc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000566105415 519301826 /nfs/dbraw/zinc/30/18/26/519301826.db2.gz IVNLWWJRPYLCPY-UHFFFAOYSA-N 0 3 371.441 2.954 20 5 FFBDHN CCN1CCN(C[C@H](C)CNc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000580771130 519350516 /nfs/dbraw/zinc/35/05/16/519350516.db2.gz XDQOTUGJFYPYIL-OAHLLOKOSA-N 0 3 361.490 2.554 20 5 FFBDHN O=[N+]([O-])c1ccc2ccnc(N3CCCN(C[C@@H]4CCCO4)CC3)c2c1 ZINC000591138806 519527305 /nfs/dbraw/zinc/52/73/05/519527305.db2.gz ZZPLCEQKKJPYEA-KRWDZBQOSA-N 0 3 356.426 2.834 20 5 FFBDHN O=[N+]([O-])c1cnc(NC2CCN([C@H]3CCOC3)CC2)c(C(F)(F)F)c1 ZINC000591150684 519531368 /nfs/dbraw/zinc/53/13/68/519531368.db2.gz MQDSMDLKHPFBOT-NSHDSACASA-N 0 3 360.336 2.674 20 5 FFBDHN O=C(Nc1cnc2c(c1)CNCC2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000591310739 519585714 /nfs/dbraw/zinc/58/57/14/519585714.db2.gz HGJXXEFIXHGRPD-UHFFFAOYSA-N 0 3 367.409 2.832 20 5 FFBDHN CCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000599985838 519985145 /nfs/dbraw/zinc/98/51/45/519985145.db2.gz LEQREGQAWKOXFC-UHFFFAOYSA-N 0 3 360.458 2.751 20 5 FFBDHN Cc1c(NC(=O)[C@H](C)N[C@@H]2CCCN3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000594551508 520023075 /nfs/dbraw/zinc/02/30/75/520023075.db2.gz FLTBQCAUUYHFLJ-YXJHDRRASA-N 0 3 360.458 2.837 20 5 FFBDHN O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H]1CCN1C1CCCCC1 ZINC000600227767 520141023 /nfs/dbraw/zinc/14/10/23/520141023.db2.gz GBOLPAFDAJEUHA-MRXNPFEDSA-N 0 3 361.442 2.887 20 5 FFBDHN Cc1cc(C)c(S(=O)(=O)NC[C@@H]2CCN(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594788154 520158349 /nfs/dbraw/zinc/15/83/49/520158349.db2.gz FXZXZFUEDSXCDX-AWEZNQCLSA-N 0 3 369.487 2.610 20 5 FFBDHN O=[N+]([O-])c1ccc(CNCc2ccc(CN3CC[C@@H](O)C3)cc2)c(F)c1 ZINC000594975856 520237544 /nfs/dbraw/zinc/23/75/44/520237544.db2.gz VZOQVDXGURLHRT-GOSISDBHSA-N 0 3 359.401 2.590 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000595003045 520251000 /nfs/dbraw/zinc/25/10/00/520251000.db2.gz BMEQGJBVWQLXHP-ZNMIVQPWSA-N 0 3 351.447 2.753 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000595046183 520268691 /nfs/dbraw/zinc/26/86/91/520268691.db2.gz JFZNARZLZMBORL-APIJFGDWSA-N 0 3 351.447 2.752 20 5 FFBDHN COc1ccc(CN(C)C)cc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000603589987 520317597 /nfs/dbraw/zinc/31/75/97/520317597.db2.gz ZNRRWBRHQGALDA-UHFFFAOYSA-N 0 3 359.382 2.683 20 5 FFBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)cc1OC ZINC000597922529 520324866 /nfs/dbraw/zinc/32/48/66/520324866.db2.gz FQCPGQCPJKYOHV-GFCCVEGCSA-N 0 3 365.430 2.605 20 5 FFBDHN CCN(C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000597944073 520343208 /nfs/dbraw/zinc/34/32/08/520343208.db2.gz BXIXLWMPDLXIKQ-RDJZCZTQSA-N 0 3 374.485 2.997 20 5 FFBDHN O=[N+]([O-])c1cc(CN[C@@]2(CO)CCCN(Cc3ccccc3)C2)cs1 ZINC000609620421 520383660 /nfs/dbraw/zinc/38/36/60/520383660.db2.gz KYVRDPDAGYDLPJ-SFHVURJKSA-N 0 3 361.467 2.773 20 5 FFBDHN C[C@@H](c1ccccc1)[C@@H](CO)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000609708080 520410988 /nfs/dbraw/zinc/41/09/88/520410988.db2.gz CIYDBIJSENUXIE-SCLBCKFNSA-N 0 3 358.394 2.716 20 5 FFBDHN C[C@@H]1CN(CCN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C[C@@H](C)O1 ZINC000595331952 520412541 /nfs/dbraw/zinc/41/25/41/520412541.db2.gz ZMVOZCSOMPNJSW-HZPDHXFCSA-N 0 3 363.458 2.547 20 5 FFBDHN C[C@@H]1CCN(C)CCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609731936 520416645 /nfs/dbraw/zinc/41/66/45/520416645.db2.gz QLADZQFQJRRKLK-GFCCVEGCSA-N 0 3 355.822 2.570 20 5 FFBDHN COc1ccc(CNC(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000604105762 520452286 /nfs/dbraw/zinc/45/22/86/520452286.db2.gz XQARYGNLMCUFGU-ZIAGYGMSSA-N 0 3 364.446 2.523 20 5 FFBDHN Cc1n[nH]c(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000609996195 520499165 /nfs/dbraw/zinc/49/91/65/520499165.db2.gz XPVFFKARRNVCCO-CJNGLKHVSA-N 0 3 371.441 2.751 20 5 FFBDHN Cc1[nH]nc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000609996195 520499173 /nfs/dbraw/zinc/49/91/73/520499173.db2.gz XPVFFKARRNVCCO-CJNGLKHVSA-N 0 3 371.441 2.751 20 5 FFBDHN Cc1ccc(CN[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000610090249 520535442 /nfs/dbraw/zinc/53/54/42/520535442.db2.gz YSFCZMQGCPYWAQ-UXHICEINSA-N 0 3 369.465 2.876 20 5 FFBDHN COc1ccc([C@H](CNc2ncc(F)cc2[N+](=O)[O-])N(C)C)cc1OC ZINC000601100215 520634232 /nfs/dbraw/zinc/63/42/32/520634232.db2.gz NIAMNGSGJIIEKE-AWEZNQCLSA-N 0 3 364.377 2.861 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1Cc2ccccc2[C@@H]1C ZINC000595706745 520665355 /nfs/dbraw/zinc/66/53/55/520665355.db2.gz JWPQSYJYUJLXTH-YVEFUNNKSA-N 0 3 355.394 2.860 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000593026440 520691608 /nfs/dbraw/zinc/69/16/08/520691608.db2.gz BSAZKDCNKRHAJU-OIISXLGYSA-N 0 3 360.410 2.819 20 5 FFBDHN Cn1cc(C[C@@H]2CCC[C@@H]2NCc2nc3cc([N+](=O)[O-])ccc3o2)cn1 ZINC000595772435 520712410 /nfs/dbraw/zinc/71/24/10/520712410.db2.gz SSIRWKCVNDLLFC-ZFWWWQNUSA-N 0 3 355.398 2.971 20 5 FFBDHN CC[C@@H]1COC(C)(C)CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000593056397 520713967 /nfs/dbraw/zinc/71/39/67/520713967.db2.gz HXJLVXPYIQZRIE-CYBMUJFWSA-N 0 3 365.430 2.821 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(c2ccon2)CC1 ZINC000595827334 520750436 /nfs/dbraw/zinc/75/04/36/520750436.db2.gz COOOPEDLHJWVTC-UHFFFAOYSA-N 0 3 374.397 2.800 20 5 FFBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CCN1CCCCC1 ZINC000593112938 520754031 /nfs/dbraw/zinc/75/40/31/520754031.db2.gz SHCGAEWPCYAZBC-CYBMUJFWSA-N 0 3 368.865 2.993 20 5 FFBDHN COC(=O)c1cc(CNCCc2cccc([N+](=O)[O-])c2)n2c1CCCC2 ZINC000598638523 520754863 /nfs/dbraw/zinc/75/48/63/520754863.db2.gz MSJIIROJOCEKGP-UHFFFAOYSA-N 0 3 357.410 2.852 20 5 FFBDHN COc1cccc(C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)c1[N+](=O)[O-] ZINC000618110470 520886405 /nfs/dbraw/zinc/88/64/05/520886405.db2.gz KLMKKTSGAVHLQC-ZDUSSCGKSA-N 0 3 371.393 2.573 20 5 FFBDHN CN(C)CCOC1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596125120 520926535 /nfs/dbraw/zinc/92/65/35/520926535.db2.gz LBCBMRTZTPWNJC-UHFFFAOYSA-N 0 3 372.263 2.904 20 5 FFBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NC[C@H](n2cccn2)C(F)(F)F)n1 ZINC000599055563 521003997 /nfs/dbraw/zinc/00/39/97/521003997.db2.gz HVLPGVYBPRXWGI-UPJWGTAASA-N 0 3 372.351 2.865 20 5 FFBDHN COc1ccc(CN(C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cn1 ZINC000611140062 521005612 /nfs/dbraw/zinc/00/56/12/521005612.db2.gz REMRNULWOVUASD-UHFFFAOYSA-N 0 3 358.398 2.767 20 5 FFBDHN COC(=O)c1c(Cl)c(N2CCC[C@H]3CN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000596282310 521007205 /nfs/dbraw/zinc/00/72/05/521007205.db2.gz VFSQXNJGQJMMRE-GXFFZTMASA-N 0 3 353.806 2.565 20 5 FFBDHN O=C(Nc1ccc(CN2CCC(O)CC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000611197574 521034126 /nfs/dbraw/zinc/03/41/26/521034126.db2.gz OQUZINMRPZMFRS-UHFFFAOYSA-N 0 3 355.394 2.804 20 5 FFBDHN Cc1cc(NCC(C)(C)C(=O)N2CCCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000599169870 521069594 /nfs/dbraw/zinc/06/95/94/521069594.db2.gz HOEQJRLZVYFTHJ-UHFFFAOYSA-N 0 3 356.426 2.934 20 5 FFBDHN Nc1cc(NC2CCN(Cc3ccccc3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000611525205 521203210 /nfs/dbraw/zinc/20/32/10/521203210.db2.gz MMRAHYQBXYBNTA-UHFFFAOYSA-N 0 3 356.426 2.746 20 5 FFBDHN CC1(C)CCC[C@@](O)(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000614992371 521223603 /nfs/dbraw/zinc/22/36/03/521223603.db2.gz FEYIFDXWZNJMLT-SFHVURJKSA-N 0 3 350.415 2.787 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](OC(F)F)C1 ZINC000611578016 521232089 /nfs/dbraw/zinc/23/20/89/521232089.db2.gz MLZUPDNHBHTULJ-ZDUSSCGKSA-N 0 3 357.357 2.935 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H](c2ccccn2)C2CCC2)c1 ZINC000599569135 521304701 /nfs/dbraw/zinc/30/47/01/521304701.db2.gz LHNJNLVIXDWIPH-VQIMIIECSA-N 0 3 357.410 2.861 20 5 FFBDHN CCC1(N2CCOCC2)CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000599668512 521381303 /nfs/dbraw/zinc/38/13/03/521381303.db2.gz GPVCKCGLGHCVDM-UHFFFAOYSA-N 0 3 363.458 2.550 20 5 FFBDHN CCC1(N2CCOCC2)CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000599669574 521382797 /nfs/dbraw/zinc/38/27/97/521382797.db2.gz OTCUYOGIECFYOC-UHFFFAOYSA-N 0 3 363.458 2.680 20 5 FFBDHN CCC(C)(C)N1CCN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000594079920 521393239 /nfs/dbraw/zinc/39/32/39/521393239.db2.gz CKEOWAYWPRXLAH-UHFFFAOYSA-N 0 3 350.419 2.942 20 5 FFBDHN NC(=O)C1CCC(NCc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602545372 521403976 /nfs/dbraw/zinc/40/39/76/521403976.db2.gz MWOLCTXGSFKSIY-UHFFFAOYSA-N 0 3 362.249 2.553 20 5 FFBDHN CCC(C)(C)N1CCN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000594211751 521476875 /nfs/dbraw/zinc/47/68/75/521476875.db2.gz OOIZFACJMHXGNJ-UHFFFAOYSA-N 0 3 364.446 2.619 20 5 FFBDHN CCCN1C[C@@H](CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1=O ZINC000602700302 521485500 /nfs/dbraw/zinc/48/55/00/521485500.db2.gz UZANVOYAXNWDFL-LLVKDONJSA-N 0 3 359.348 2.962 20 5 FFBDHN C[C@](CO)(NC[C@@H]1CCN(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000602732075 521502698 /nfs/dbraw/zinc/50/26/98/521502698.db2.gz NJFJXHFQMQBGHY-OXJNMPFZSA-N 0 3 355.438 2.918 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H]1Cn1cnc2ccccc21 ZINC000602794602 521536909 /nfs/dbraw/zinc/53/69/09/521536909.db2.gz JJFZJMPRKUXEBX-HNNXBMFYSA-N 0 3 354.414 2.614 20 5 FFBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H](Cn3cnc4ccccc43)C2)c1 ZINC000602810741 521548358 /nfs/dbraw/zinc/54/83/58/521548358.db2.gz IJXBOEHPEOWMGM-OAHLLOKOSA-N 0 3 354.414 2.553 20 5 FFBDHN COCCN1CC[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000485396633 561318381 /nfs/dbraw/zinc/31/83/81/561318381.db2.gz XOWUVJNAFBNZOZ-HNNXBMFYSA-N 0 3 360.389 2.929 20 5 FFBDHN C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824607258 609145955 /nfs/dbraw/zinc/14/59/55/609145955.db2.gz WOOJIFKZXIKALJ-NSHDSACASA-N 0 3 356.361 2.807 20 5 FFBDHN C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824607258 609145958 /nfs/dbraw/zinc/14/59/58/609145958.db2.gz WOOJIFKZXIKALJ-NSHDSACASA-N 0 3 356.361 2.807 20 5 FFBDHN Cc1cnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164901701 721512418 /nfs/dbraw/zinc/51/24/18/721512418.db2.gz YDLPQNDFWUKPEQ-DOTOQJQBSA-N 0 3 372.400 2.779 20 5 FFBDHN Cc1ccnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164899727 721521525 /nfs/dbraw/zinc/52/15/25/721521525.db2.gz LYRBLYQERJPRDH-NVXWUHKLSA-N 0 3 372.400 2.779 20 5 FFBDHN COc1ccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000113343646 728554124 /nfs/dbraw/zinc/55/41/24/728554124.db2.gz KRAKKGJADDAFRY-ZDUSSCGKSA-N 0 3 351.403 2.702 20 5 FFBDHN CCN(CC)[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccsc1 ZINC000126349929 728699816 /nfs/dbraw/zinc/69/98/16/728699816.db2.gz UATVXFFFTBPRHE-CQSZACIVSA-N 0 3 363.443 2.645 20 5 FFBDHN C[C@H](OC(=O)C1CC[C@H](C(F)(F)F)NC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000193677327 729486653 /nfs/dbraw/zinc/48/66/53/729486653.db2.gz OREIZJAEHQZNDS-KPXOXKRLSA-N 0 3 360.288 2.656 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H]1CC2(CO1)CCOCC2 ZINC000866533654 731071544 /nfs/dbraw/zinc/07/15/44/731071544.db2.gz SZGVRDUMSKWBTI-HIFRSBDPSA-N 0 3 350.415 2.840 20 5 FFBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000874838226 732106382 /nfs/dbraw/zinc/10/63/82/732106382.db2.gz OJLIFQPRFAEFHP-ZIAGYGMSSA-N 0 3 368.231 2.666 20 5 FFBDHN O=[N+]([O-])c1sc(CNCCCNc2ncccn2)cc1Br ZINC000876875292 732290469 /nfs/dbraw/zinc/29/04/69/732290469.db2.gz TUVDRESTZIFPIH-UHFFFAOYSA-N 0 3 372.248 2.801 20 5 FFBDHN C[C@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCCCC1 ZINC000781605709 738640531 /nfs/dbraw/zinc/64/05/31/738640531.db2.gz CPFXMRUYRXVPBW-LLVKDONJSA-N 0 3 357.357 2.800 20 5 FFBDHN O=C(CN[C@H](CO)C1CCCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000782086658 738687162 /nfs/dbraw/zinc/68/71/62/738687162.db2.gz XTAIAEAZZVKRBA-CQSZACIVSA-N 0 3 355.822 2.718 20 5 FFBDHN Cc1ccsc1[C@H](CO)NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782550900 738733063 /nfs/dbraw/zinc/73/30/63/738733063.db2.gz RVLMAAWDYNPUDB-AWEZNQCLSA-N 0 3 367.402 2.756 20 5 FFBDHN O=[N+]([O-])c1ccc2nc(N3CCN(CC4CCOCC4)CC3)sc2c1 ZINC000736298761 734980843 /nfs/dbraw/zinc/98/08/43/734980843.db2.gz NHYPBRUGBQOPEW-UHFFFAOYSA-N 0 3 362.455 2.753 20 5 FFBDHN C[C@@H](CNCc1ccc(S(C)(=O)=O)s1)c1ccccc1[N+](=O)[O-] ZINC000897461831 735237655 /nfs/dbraw/zinc/23/76/55/735237655.db2.gz YVHZRGPFIIIWJR-NSHDSACASA-N 0 3 354.453 2.953 20 5 FFBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900585957 735664693 /nfs/dbraw/zinc/66/46/93/735664693.db2.gz DXLRNYGXAOLQMV-GFCCVEGCSA-N 0 3 373.812 2.570 20 5 FFBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900585958 735664751 /nfs/dbraw/zinc/66/47/51/735664751.db2.gz DXLRNYGXAOLQMV-LBPRGKRZSA-N 0 3 373.812 2.570 20 5 FFBDHN CC[C@H](C)N(C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000752246173 735970932 /nfs/dbraw/zinc/97/09/32/735970932.db2.gz FQQUDHJVAHMTJA-NSHDSACASA-N 0 3 363.867 2.565 20 5 FFBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000923285260 738266571 /nfs/dbraw/zinc/26/65/71/738266571.db2.gz BEIIYNFJPCLCQC-UONOGXRCSA-N 0 3 367.833 2.712 20 5 FFBDHN CS[C@H]1CN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000777310868 738277236 /nfs/dbraw/zinc/27/72/36/738277236.db2.gz SVUSMNKJWXMISL-GJZGRUSLSA-N 0 3 367.446 2.694 20 5 FFBDHN CN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCCN(C)C1 ZINC000929832133 739026440 /nfs/dbraw/zinc/02/64/40/739026440.db2.gz AUKFFWSUWKODAI-LLVKDONJSA-N 0 3 358.345 2.754 20 5 FFBDHN CCN(CC)C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000790881066 739508268 /nfs/dbraw/zinc/50/82/68/739508268.db2.gz VDZMTXHKWUBVIF-LLVKDONJSA-N 0 3 363.867 2.565 20 5 FFBDHN CCOC(=O)C1([C@H](C)NCc2ccc(F)cc2[N+](=O)[O-])CCOCC1 ZINC000933879406 739700097 /nfs/dbraw/zinc/70/00/97/739700097.db2.gz DPLFMYVEVYHKCG-LBPRGKRZSA-N 0 3 354.378 2.572 20 5 FFBDHN Cc1cc(Cl)c(S(=O)(=O)N[C@@H](C)CN(C)C(C)C)cc1[N+](=O)[O-] ZINC000809861092 741357220 /nfs/dbraw/zinc/35/72/20/741357220.db2.gz NOPTVYKFHHFZRM-NSHDSACASA-N 0 3 363.867 2.564 20 5 FFBDHN COc1ccc(-c2ncc(C(=O)OCC(C)[N+](=O)[O-])s2)cc1OC ZINC000813114029 741678815 /nfs/dbraw/zinc/67/88/15/741678815.db2.gz LELGYVNQWAVOQN-SECBINFHSA-N 0 3 352.368 2.649 20 5 FFBDHN CC(C)N(C)CC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000839865700 746947089 /nfs/dbraw/zinc/94/70/89/746947089.db2.gz YTMPYXJOIZYSMS-ZDUSSCGKSA-N 0 3 351.300 2.794 20 5 FFBDHN CCN(CC)C(=O)CCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845875917 748342372 /nfs/dbraw/zinc/34/23/72/748342372.db2.gz LUOGXQLMWFFINC-YVEFUNNKSA-N 0 3 354.378 2.724 20 5 FFBDHN CC(C)CC(=O)NCCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845879471 748343213 /nfs/dbraw/zinc/34/32/13/748343213.db2.gz VKPRTHHQFNDLRQ-SJCJKPOMSA-N 0 3 354.378 2.628 20 5 FFBDHN CC([C@H](OC(=O)c1cn(C(C)(C)C)nn1)c1ccccc1F)[N+](=O)[O-] ZINC000845883297 748344171 /nfs/dbraw/zinc/34/41/71/748344171.db2.gz RQAIMEBTFUUHSP-HZMBPMFUSA-N 0 3 350.350 2.736 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)c1F ZINC000855054890 750419115 /nfs/dbraw/zinc/41/91/15/750419115.db2.gz AOYPOZQOFDDIPU-RYUDHWBXSA-N 0 3 353.369 2.928 20 5 FFBDHN COC1CCN(C(C)(C)CNC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000896257993 971375451 /nfs/dbraw/zinc/37/54/51/971375451.db2.gz ITLLDFZETCGXNK-UHFFFAOYSA-N 0 3 363.458 2.831 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000248894321 959811747 /nfs/dbraw/zinc/81/17/47/959811747.db2.gz SYRLSGNTKNCUSP-SUMWQHHRSA-N 0 3 357.385 2.984 20 5 FFBDHN Cc1c(CN[C@H](C)Cn2ncc3ccccc3c2=O)cccc1[N+](=O)[O-] ZINC000873097093 1013384321 /nfs/dbraw/zinc/38/43/21/1013384321.db2.gz GNAVNGUPBAFALZ-CYBMUJFWSA-N 0 3 352.394 2.791 20 5 FFBDHN NCc1nn(-c2cnc(Oc3ccc([N+](=O)[O-])cc3)nc2)c2ccccc12 ZINC001167697882 969637765 /nfs/dbraw/zinc/63/77/65/969637765.db2.gz OXSPRAANQUQVGB-UHFFFAOYSA-N 0 3 362.349 2.975 20 5 FFBDHN Cc1c(C(=O)N[C@H](C)CN2CCCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000126195981 1014403874 /nfs/dbraw/zinc/40/38/74/1014403874.db2.gz ANVYWRWNAKLRSS-LLVKDONJSA-N 0 3 364.402 2.724 20 5 FFBDHN C[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)N1CCCC1 ZINC000046408527 984675590 /nfs/dbraw/zinc/67/55/90/984675590.db2.gz DVXMOMWDMLVFEK-INIZCTEOSA-N 0 3 363.461 2.755 20 5 FFBDHN CC(C)(C)CCN1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000917880899 990294159 /nfs/dbraw/zinc/29/41/59/990294159.db2.gz UWBWEDUODCSDBB-UHFFFAOYSA-N 0 3 373.457 2.525 20 5 FFBDHN CC(COC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813113461 995625311 /nfs/dbraw/zinc/62/53/11/995625311.db2.gz QEZSJVADDSBJBH-UPJWGTAASA-N 0 3 365.386 2.899 20 5 FFBDHN Nc1ccc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000823993521 996773889 /nfs/dbraw/zinc/77/38/89/996773889.db2.gz GZVSGYWELHXKBG-INIZCTEOSA-N 0 3 369.425 2.963 20 5 FFBDHN CN(C)CCN(CC1CCCCC1)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825389397 997334815 /nfs/dbraw/zinc/33/48/15/997334815.db2.gz NDOKDOOJKWJFKD-SFHVURJKSA-N 0 3 363.458 2.599 20 5 FFBDHN CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)[C@@H]1CCN(C2CC2)C1 ZINC000732165176 998498163 /nfs/dbraw/zinc/49/81/63/998498163.db2.gz CTWKVROQQZJTEA-QGZVFWFLSA-N 0 3 372.469 2.894 20 5 FFBDHN CC([C@H](OC(=O)CN(C)C(=O)OC(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845873763 998676834 /nfs/dbraw/zinc/67/68/34/998676834.db2.gz GAOHHVBPVCTECG-ABAIWWIYSA-N 0 3 370.377 2.942 20 5 FFBDHN CC([C@H](OC(=O)CCc1ccc(C(N)=O)cc1)c1ccccc1F)[N+](=O)[O-] ZINC000845877697 998677130 /nfs/dbraw/zinc/67/71/30/998677130.db2.gz GCNHWZZZJCVDDU-SGTLLEGYSA-N 0 3 374.368 2.807 20 5 FFBDHN O=C(CN1CCC2(CCCC2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000744419780 999855029 /nfs/dbraw/zinc/85/50/29/999855029.db2.gz ARFULEOSLDIBBS-UHFFFAOYSA-N 0 3 372.469 2.510 20 5 FFBDHN CS(=O)(=O)c1ccc(C2CCN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169057961 1000019228 /nfs/dbraw/zinc/01/92/28/1000019228.db2.gz ZMFPSAPFMPMNCM-WMLDXEAASA-N 0 3 366.483 2.715 20 5 FFBDHN Cc1cc(F)ccc1[C@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000746669442 1001681923 /nfs/dbraw/zinc/68/19/23/1001681923.db2.gz CLPAQVNUVQOFET-RHSMWYFYSA-N 0 3 360.389 2.657 20 5 FFBDHN COc1ccc(C[C@@H](C)N[C@@H](C)c2nnc3ccccn32)c([N+](=O)[O-])c1 ZINC001170298382 1003091978 /nfs/dbraw/zinc/09/19/78/1003091978.db2.gz KRURJGLFJDUQQT-OLZOCXBDSA-N 0 3 355.398 2.928 20 5 FFBDHN COc1ccc(C[C@@H](C)NCc2cc(OCC3CC3)ncn2)c([N+](=O)[O-])c1 ZINC001170322446 1003110108 /nfs/dbraw/zinc/11/01/08/1003110108.db2.gz GYOJUUNKYUAFAN-CYBMUJFWSA-N 0 3 372.425 2.903 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](c2cnccn2)C1 ZINC001198166070 1004518761 /nfs/dbraw/zinc/51/87/61/1004518761.db2.gz XYPCSSZZRBZJFU-AWEZNQCLSA-N 0 3 355.398 2.511 20 5 FFBDHN COC(=O)N1CCC(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])CC1 ZINC000851108084 1005861716 /nfs/dbraw/zinc/86/17/16/1005861716.db2.gz JIDPCAYFCHEWIF-NHYWBVRUSA-N 0 3 368.361 2.554 20 5 FFBDHN Cc1cc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000813828100 1006047045 /nfs/dbraw/zinc/04/70/45/1006047045.db2.gz ZOUUWSJRDVILMR-PBHICJAKSA-N 0 3 368.437 2.878 20 5 FFBDHN COC(=O)[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]2CCCC[C@H]12 ZINC000852496934 1006055409 /nfs/dbraw/zinc/05/54/09/1006055409.db2.gz SKSKMGHBXRSDAI-TVFCKZIOSA-N 0 3 362.426 2.682 20 5 FFBDHN C[C@H](NCc1ccccc1Cn1cncn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815558241 1006684416 /nfs/dbraw/zinc/68/44/16/1006684416.db2.gz WEKFTCSSWXNUSI-ZDUSSCGKSA-N 0 3 352.398 2.668 20 5 FFBDHN C[C@@H](Cn1ncc2ccccc2c1=O)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815598999 1006704341 /nfs/dbraw/zinc/70/43/41/1006704341.db2.gz IRDNOOWGAHVTPJ-STQMWFEESA-N 0 3 367.409 2.626 20 5 FFBDHN CN1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000854334345 1006783206 /nfs/dbraw/zinc/78/32/06/1006783206.db2.gz HFFHVRYLQCBNAI-MRXNPFEDSA-N 0 3 371.522 2.542 20 5 FFBDHN COc1c([O-])ccc(C[NH2+][C@@H](C(C)C)C2(CO)CCCC2)c1[N+](=O)[O-] ZINC001206167198 1032170161 /nfs/dbraw/zinc/17/01/61/1032170161.db2.gz CHEKAKRNRFCLNF-KRWDZBQOSA-N 0 3 352.431 2.976 20 5 FFBDHN CN(C[C@@H]1CCCN1C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000817490501 1007618046 /nfs/dbraw/zinc/61/80/46/1007618046.db2.gz FXGXRGZLUWGDBW-INIZCTEOSA-N 0 3 360.458 2.751 20 5 FFBDHN O=[N+]([O-])c1ccc([C@H](O)CNCc2ccnc(OCC(F)(F)F)c2)cc1 ZINC000818955773 1007993204 /nfs/dbraw/zinc/99/32/04/1007993204.db2.gz DCRNNPSNTMRBQJ-CQSZACIVSA-N 0 3 371.315 2.754 20 5 FFBDHN O=C1CCCN1c1cccc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000818955621 1007993910 /nfs/dbraw/zinc/99/39/10/1007993910.db2.gz BUADKGWJLFJNLH-GOSISDBHSA-N 0 3 355.394 2.545 20 5 FFBDHN Cc1cc(CN[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc2cccnc12 ZINC001179525330 1009352000 /nfs/dbraw/zinc/35/20/00/1009352000.db2.gz MNZZJPWJMXGLGV-UYAOXDASSA-N 0 3 367.405 2.636 20 5 FFBDHN O=C1[C@@H](N[C@H]2CCc3ccccc3OC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000509514134 1009528959 /nfs/dbraw/zinc/52/89/59/1009528959.db2.gz CETRXJABDHUPMA-YJBOKZPZSA-N 0 3 367.405 2.684 20 5 FFBDHN CN1CCN(C2CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)CC1 ZINC000866213601 1010952889 /nfs/dbraw/zinc/95/28/89/1010952889.db2.gz YBKOWOOXOAHQBW-UHFFFAOYSA-N 0 3 372.391 2.830 20 5 FFBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC(Oc2ncc(F)cn2)CC1 ZINC001173238342 1012386459 /nfs/dbraw/zinc/38/64/59/1012386459.db2.gz QDGBCIAXCZUZIL-CYBMUJFWSA-N 0 3 360.389 2.998 20 5 FFBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801836644 1019434301 /nfs/dbraw/zinc/43/43/01/1019434301.db2.gz POWUJVISLNVLMR-TZMCWYRMSA-N 0 3 372.400 2.881 20 5 FFBDHN C[C@H]1CCC[C@H](N(C)CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000726586207 1020488773 /nfs/dbraw/zinc/48/87/73/1020488773.db2.gz IPFBARIZDAXWIR-KBPBESRZSA-N 0 3 360.414 2.831 20 5 FFBDHN COc1cc([C@H](C)NCCN2C[C@@H]3CCCCN3C2=O)cc([N+](=O)[O-])c1 ZINC000903204871 1020737408 /nfs/dbraw/zinc/73/74/08/1020737408.db2.gz XJLJLVFYICHYSC-ZFWWWQNUSA-N 0 3 362.430 2.544 20 5 FFBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H](CO)c2ccccc2C(F)(F)F)c1 ZINC000933241519 1020983143 /nfs/dbraw/zinc/98/31/43/1020983143.db2.gz MRRFPAYRPKGRQV-HOTGVXAUSA-N 0 3 370.327 2.970 20 5 FFBDHN Cc1cccc(NC[C@H]2CCCN2C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC001116351694 1021175768 /nfs/dbraw/zinc/17/57/68/1021175768.db2.gz ISHFVUOFCWVLBW-QZTJIDSGSA-N 0 3 356.426 2.908 20 5 FFBDHN Cc1c(Br)c(OC2CNC2)c(Br)cc1[N+](=O)[O-] ZINC001218050538 1032971974 /nfs/dbraw/zinc/97/19/74/1032971974.db2.gz VGDGZSAGFPMKFG-UHFFFAOYSA-N 0 3 366.009 2.779 20 5 FFBDHN COC(=O)[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC001117305202 1021648265 /nfs/dbraw/zinc/64/82/65/1021648265.db2.gz PUMKLDSRKKNVSZ-UFGOTCBOSA-N 0 3 369.805 2.507 20 5 FFBDHN Cc1c(C(=O)N(CCN(C)C)C2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000081551918 1024854502 /nfs/dbraw/zinc/85/45/02/1024854502.db2.gz WISJWUZYMCLQIQ-UHFFFAOYSA-N 0 3 364.402 2.758 20 5 FFBDHN CN(CCOC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccccc1 ZINC000837351046 1025740012 /nfs/dbraw/zinc/74/00/12/1025740012.db2.gz NIWCAXQVARCVJK-UHFFFAOYSA-N 0 3 358.350 2.612 20 5 FFBDHN COC(=O)[C@H](C)[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000246240570 1025905223 /nfs/dbraw/zinc/90/52/23/1025905223.db2.gz HPZCWORBYPDFAC-XWIAVFTESA-N 0 3 358.394 2.768 20 5 FFBDHN CC(C)N1CCC[C@@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC001138093725 1033733579 /nfs/dbraw/zinc/73/35/79/1033733579.db2.gz WCCKJKZBMWOQGT-SECBINFHSA-N 0 3 358.801 2.572 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Oc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001227111947 1034939164 /nfs/dbraw/zinc/93/91/64/1034939164.db2.gz ULISROCDVOQZOW-LRDDRELGSA-N 0 3 358.354 2.797 20 5 FFBDHN O=C1CC2(CCN(Cc3ccc4ccc5cccnc5c4n3)CC2)CC(=O)N1 ZINC001232221705 1035504244 /nfs/dbraw/zinc/50/42/44/1035504244.db2.gz DALDOHRKOWITRJ-UHFFFAOYSA-N 0 3 374.444 2.802 20 5 FFBDHN Cc1cc2[nH]c(O[C@H]3CC[C@@H](N4CCOCC4)CC3)nc2cc1[N+](=O)[O-] ZINC001228677427 1036249519 /nfs/dbraw/zinc/24/95/19/1036249519.db2.gz PNEUSFZCRDYJPL-OKILXGFUSA-N 0 3 360.414 2.802 20 5 FFBDHN COCCN1CCC(Oc2c(C(=O)OC)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC001228967605 1036438541 /nfs/dbraw/zinc/43/85/41/1036438541.db2.gz UNNIZRXIDNYCQF-UHFFFAOYSA-N 0 3 372.805 2.524 20 5 FFBDHN COC(=O)c1cnc(O[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001233866121 1036795558 /nfs/dbraw/zinc/79/55/58/1036795558.db2.gz LIJCIZNBZAAGMX-GUYCJALGSA-N 0 3 371.393 2.676 20 5 FFBDHN COc1c(O[C@@H]2CCCN(C)C2)c2nccc3c4ccccc4n(c32)c1=O ZINC001234719062 1037154797 /nfs/dbraw/zinc/15/47/97/1037154797.db2.gz XRQSJYNZSMKDGZ-CYBMUJFWSA-N 0 3 363.417 2.920 20 5 FFBDHN CC1(C)CCN(CCNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001537668758 1070230951 /nfs/dbraw/zinc/23/09/51/1070230951.db2.gz VMLIMGSHUAKADK-UHFFFAOYSA-N 0 3 356.426 2.792 20 5 FFBDHN O=[N+]([O-])c1cc(Cc2nc(-c3ccc4c(n3)CCNC4)no2)ccc1Cl ZINC001248378986 1040249685 /nfs/dbraw/zinc/24/96/85/1040249685.db2.gz GDOJDYOGAWDNLN-UHFFFAOYSA-N 0 3 371.784 2.930 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1Cc1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001249096958 1040579867 /nfs/dbraw/zinc/57/98/67/1040579867.db2.gz VFZRZELZVKYRGN-UHFFFAOYSA-N 0 3 351.366 2.585 20 5 FFBDHN Cn1ncc2ccc(-c3noc(C[C@@H](N)c4ccccc4[N+](=O)[O-])n3)cc21 ZINC001249342708 1040692337 /nfs/dbraw/zinc/69/23/37/1040692337.db2.gz RHHBHNLMLPZRCW-CQSZACIVSA-N 0 3 364.365 2.774 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](NCc1cccc(OC3CCOCC3)n1)C2 ZINC001254580122 1040811976 /nfs/dbraw/zinc/81/19/76/1040811976.db2.gz CDKVACDLQUBWNI-QGZVFWFLSA-N 0 3 369.421 2.805 20 5 FFBDHN O=C(NC1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1)N1CCCCC1 ZINC001254611284 1040838632 /nfs/dbraw/zinc/83/86/32/1040838632.db2.gz PBRVPNZIVHOELZ-IBGZPJMESA-N 0 3 372.469 2.722 20 5 FFBDHN Cc1nccnc1O[C@@H]1CCCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254611800 1040841944 /nfs/dbraw/zinc/84/19/44/1040841944.db2.gz TUQCUNWPNNYOSK-QZTJIDSGSA-N 0 3 354.410 2.704 20 5 FFBDHN CCn1c([C@@H]2CCCN(C)C2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001263037001 1042054026 /nfs/dbraw/zinc/05/40/26/1042054026.db2.gz MYFGGVHNFWWLAM-OAHLLOKOSA-N 0 3 370.457 2.578 20 5 FFBDHN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001321777862 1045797653 /nfs/dbraw/zinc/79/76/53/1045797653.db2.gz IYFGJOREWYEKJS-UHFFFAOYSA-N 0 3 358.446 2.794 20 5 FFBDHN Cc1cncc([N+](=O)[O-])c1NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC001323158616 1046365445 /nfs/dbraw/zinc/36/54/45/1046365445.db2.gz LTQDGYGMAWQLCX-UHFFFAOYSA-N 0 3 374.416 2.815 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)n1 ZINC001290115882 1047835655 /nfs/dbraw/zinc/83/56/55/1047835655.db2.gz HVAJEERKRXXSPG-SFHVURJKSA-N 0 3 354.410 2.865 20 5 FFBDHN O=[N+]([O-])c1cnc(N2CCN[C@@H](c3ccc(O)cc3)C2)c(C(F)(F)F)c1 ZINC001307199520 1049988551 /nfs/dbraw/zinc/98/85/51/1049988551.db2.gz UCLVYHKCVXFBIE-CQSZACIVSA-N 0 3 368.315 2.865 20 5 FFBDHN CS[C@H]1CN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC001295851279 1049991154 /nfs/dbraw/zinc/99/11/54/1049991154.db2.gz FCWQFHDVSGCQFE-CABCVRRESA-N 0 3 371.890 2.685 20 5 FFBDHN COC(=O)[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001342050256 1050649367 /nfs/dbraw/zinc/64/93/67/1050649367.db2.gz AEWAVRLBUQAQNM-UFGOTCBOSA-N 0 3 369.805 2.507 20 5 FFBDHN COc1ccccc1OCCC[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC001308250807 1052436889 /nfs/dbraw/zinc/43/68/89/1052436889.db2.gz ZINWKBJQGQIZRI-UHFFFAOYSA-N 0 3 362.382 2.876 20 5 FFBDHN Cc1cc(NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC001345489506 1052471077 /nfs/dbraw/zinc/47/10/77/1052471077.db2.gz STWADWSGAHOEBW-CQSZACIVSA-N 0 3 362.430 2.620 20 5 FFBDHN CN(CCN1CCCC1)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001542841794 1071319571 /nfs/dbraw/zinc/31/95/71/1071319571.db2.gz HAKIDWCXUBVAMU-UHFFFAOYSA-N 0 3 354.410 2.825 20 5 FFBDHN COCCN1CCC(NC(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)CC1 ZINC001346631373 1053168881 /nfs/dbraw/zinc/16/88/81/1053168881.db2.gz XMGAZVIQVAKVTI-UHFFFAOYSA-N 0 3 372.425 2.980 20 5 FFBDHN C[C@@H](C(=O)OC[C@H]1CCN1C1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC001520069482 1059373415 /nfs/dbraw/zinc/37/34/15/1059373415.db2.gz RAYRNTCJXCILSU-IUODEOHRSA-N 0 3 366.389 2.634 20 5 FFBDHN CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CC=CCC1 ZINC001515363981 1059619865 /nfs/dbraw/zinc/61/98/65/1059619865.db2.gz WMZDEDYGZWQHJO-UHFFFAOYSA-N 0 3 356.430 2.571 20 5 FFBDHN CN(CCCN(C)c1nc2ccccn2c1[N+](=O)[O-])Cc1ccncc1 ZINC001458470281 1060597181 /nfs/dbraw/zinc/59/71/81/1060597181.db2.gz UHMUAQYSBTVHNA-UHFFFAOYSA-N 0 3 354.414 2.596 20 5 FFBDHN CN(c1ccccc1)c1ccc(CNC(C)(C)CNC(N)=O)cc1[N+](=O)[O-] ZINC001461793164 1061407078 /nfs/dbraw/zinc/40/70/78/1061407078.db2.gz BODQLJPSRZJKKB-UHFFFAOYSA-N 0 3 371.441 2.899 20 5 FFBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001467548689 1063777951 /nfs/dbraw/zinc/77/79/51/1063777951.db2.gz UNSJGDYHXKYREI-KGLIPLIRSA-N 0 3 370.409 2.733 20 5 FFBDHN CN1CCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CCC1(C)C ZINC001470651207 1064398057 /nfs/dbraw/zinc/39/80/57/1064398057.db2.gz VOPAWCWHAVIYSB-UHFFFAOYSA-N 0 3 356.426 2.887 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(N2CCc3cc(F)ccc32)CC1 ZINC001473426387 1065260930 /nfs/dbraw/zinc/26/09/30/1065260930.db2.gz ZWMBBKSQVBIAFT-UHFFFAOYSA-N 0 3 373.432 2.766 20 5 FFBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@@H]3COC4(CCCCC4)O3)CC2)n1 ZINC001473442246 1065262323 /nfs/dbraw/zinc/26/23/23/1065262323.db2.gz ZZRHTDJQPMWQBF-OAHLLOKOSA-N 0 3 350.419 2.504 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CN[C@@H](CO)[C@@H]2CCOC2)o1 ZINC001474094916 1065455399 /nfs/dbraw/zinc/45/53/99/1065455399.db2.gz ZZUFOIFFZQMMCB-ABAIWWIYSA-N 0 3 366.801 2.995 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001582803924 1079110233 /nfs/dbraw/zinc/11/02/33/1079110233.db2.gz CRGZZUNGMMLCCN-ZDUSSCGKSA-N 0 3 357.418 2.594 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001582803924 1079110236 /nfs/dbraw/zinc/11/02/36/1079110236.db2.gz CRGZZUNGMMLCCN-ZDUSSCGKSA-N 0 3 357.418 2.594 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001582803924 1079110239 /nfs/dbraw/zinc/11/02/39/1079110239.db2.gz CRGZZUNGMMLCCN-ZDUSSCGKSA-N 0 3 357.418 2.594 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001582803924 1079110243 /nfs/dbraw/zinc/11/02/43/1079110243.db2.gz CRGZZUNGMMLCCN-ZDUSSCGKSA-N 0 3 357.418 2.594 20 5 FFBDHN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CC(N[C@H]2CCOC2)C1 ZINC001559290655 1076146741 /nfs/dbraw/zinc/14/67/41/1076146741.db2.gz XFDHFHYASPWCOI-QMMMGPOBSA-N 0 3 365.739 2.834 20 5 FFBDHN C[C@H](Cc1cccs1)[N@H+](C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589903150 1080852985 /nfs/dbraw/zinc/85/29/85/1080852985.db2.gz RVBQLPAAYQDZPV-LLVKDONJSA-N 0 3 358.427 2.899 20 5 FFBDHN C[C@H](Cc1cccs1)[N@@H+](C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589903150 1080852989 /nfs/dbraw/zinc/85/29/89/1080852989.db2.gz RVBQLPAAYQDZPV-LLVKDONJSA-N 0 3 358.427 2.899 20 5 FFBDHN C[C@H](Cc1cccs1)[N@H+](C)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589903150 1080852991 /nfs/dbraw/zinc/85/29/91/1080852991.db2.gz RVBQLPAAYQDZPV-LLVKDONJSA-N 0 3 358.427 2.899 20 5 FFBDHN C[C@H](Cc1cccs1)[N@@H+](C)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589903150 1080852995 /nfs/dbraw/zinc/85/29/95/1080852995.db2.gz RVBQLPAAYQDZPV-LLVKDONJSA-N 0 3 358.427 2.899 20 5 FFBDHN C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC001589982326 1080919821 /nfs/dbraw/zinc/91/98/21/1080919821.db2.gz NCUZVKIEXRNVGW-SJKOYZFVSA-N 0 3 367.413 2.878 20 5 FFBDHN C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590188075 1081077877 /nfs/dbraw/zinc/07/78/77/1081077877.db2.gz PRDVKQCJBVROLQ-JHJVBQTASA-N 0 3 359.434 2.553 20 5 FFBDHN C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590188075 1081077885 /nfs/dbraw/zinc/07/78/85/1081077885.db2.gz PRDVKQCJBVROLQ-JHJVBQTASA-N 0 3 359.434 2.553 20 5 FFBDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000106786914 250290344 /nfs/dbraw/zinc/29/03/44/250290344.db2.gz VKUZMTKSZQSXQU-AWEZNQCLSA-N 0 3 369.425 2.527 20 5 FFBDHN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CC(=O)N2C ZINC000271523704 251813963 /nfs/dbraw/zinc/81/39/63/251813963.db2.gz VIZMVBBBAIAQMQ-ZDUSSCGKSA-N 0 3 355.394 2.843 20 5 FFBDHN C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000272668362 252096691 /nfs/dbraw/zinc/09/66/91/252096691.db2.gz IGPRLCWYOWBAGN-JTQLQIEISA-N 0 3 368.231 2.738 20 5 FFBDHN CC[C@@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000272586779 252073488 /nfs/dbraw/zinc/07/34/88/252073488.db2.gz ZFLQCZVOCBHKKR-FUHWJXTLSA-N 0 3 357.458 2.882 20 5 FFBDHN Cc1c([N+](=O)[O-])cc(C(=O)N(C)[C@H](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000273327198 252282277 /nfs/dbraw/zinc/28/22/77/252282277.db2.gz YHTHBNAQSGNZKG-GFCCVEGCSA-N 0 3 364.402 2.614 20 5 FFBDHN Cc1cncc(CN2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)c1 ZINC000275985048 256064086 /nfs/dbraw/zinc/06/40/86/256064086.db2.gz FJYLGBZEICBKGG-UHFFFAOYSA-N 0 3 366.425 2.887 20 5 FFBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000285765132 257003464 /nfs/dbraw/zinc/00/34/64/257003464.db2.gz KUZDWHSNHXVKOR-WBVHZDCISA-N 0 3 372.469 2.894 20 5 FFBDHN C[C@H]1CC[C@H](CN2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)O1 ZINC000276472984 256103282 /nfs/dbraw/zinc/10/32/82/256103282.db2.gz ZDRALMGMUIXFTC-DZGCQCFKSA-N 0 3 359.430 2.551 20 5 FFBDHN Cc1noc(C[C@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000277075240 256158428 /nfs/dbraw/zinc/15/84/28/256158428.db2.gz DXPQXGKEKKXLCW-ZWKOTPCHSA-N 0 3 368.393 2.893 20 5 FFBDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000278748840 256343991 /nfs/dbraw/zinc/34/39/91/256343991.db2.gz UQQGSPWFMDPBSA-CYBMUJFWSA-N 0 3 353.850 2.933 20 5 FFBDHN CN1C[C@@H]2CN(c3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000278858609 256355460 /nfs/dbraw/zinc/35/54/60/256355460.db2.gz YBWMVMJKHATJIF-DTORHVGOSA-N 0 3 360.292 2.520 20 5 FFBDHN CCS[C@H]1CCC[C@@H]1NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000286236670 257026999 /nfs/dbraw/zinc/02/69/99/257026999.db2.gz RQOCTLIMUBCUQB-ZFWWWQNUSA-N 0 3 353.444 2.806 20 5 FFBDHN CN1CCN(CC2CCN(c3cc(Cl)ccc3[N+](=O)[O-])CC2)CC1 ZINC000288653894 257214928 /nfs/dbraw/zinc/21/49/28/257214928.db2.gz ZWBCCFGTQPHTAN-UHFFFAOYSA-N 0 3 352.866 2.712 20 5 FFBDHN COc1ccc([C@H](CN2CCCC2)Nc2ncc([N+](=O)[O-])c(C)n2)cc1 ZINC000295113280 257616933 /nfs/dbraw/zinc/61/69/33/257616933.db2.gz VRJVZERINMPJBB-INIZCTEOSA-N 0 3 357.414 2.951 20 5 FFBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000295387619 257630558 /nfs/dbraw/zinc/63/05/58/257630558.db2.gz RECPLVVOMDHWME-SCLBCKFNSA-N 0 3 369.425 2.684 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCN(c3ccncc3)CC2)cc1OC(F)F ZINC000301343338 258044090 /nfs/dbraw/zinc/04/40/90/258044090.db2.gz GYHUAQUSCVBUFH-UHFFFAOYSA-N 0 3 350.325 2.918 20 5 FFBDHN CNC(=O)c1ccc(N[C@H]2CCN(C)[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000301835356 258070078 /nfs/dbraw/zinc/07/00/78/258070078.db2.gz LCRKVZYVRVKOEX-WMZOPIPTSA-N 0 3 354.410 2.812 20 5 FFBDHN C[C@H]1CCCN(c2ccc(C(=O)N(C)CCN3CCCC3)cc2[N+](=O)[O-])C1 ZINC000331528214 258189536 /nfs/dbraw/zinc/18/95/36/258189536.db2.gz WRXGAYFPKWKUFI-INIZCTEOSA-N 0 3 374.485 2.999 20 5 FFBDHN CC(C)c1[nH]nc(C(=O)N2CCN(C3CCC(C)CC3)CC2)c1[N+](=O)[O-] ZINC000332423059 258229850 /nfs/dbraw/zinc/22/98/50/258229850.db2.gz RTDNNTNMHKZGIC-UHFFFAOYSA-N 0 3 363.462 2.778 20 5 FFBDHN CN(C)[C@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000267897127 509660320 /nfs/dbraw/zinc/66/03/20/509660320.db2.gz ACVNLRBLBOMODV-JTQLQIEISA-N 0 3 374.210 2.663 20 5 FFBDHN O=C(C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1)N1CCCCC1 ZINC000065223183 506271441 /nfs/dbraw/zinc/27/14/41/506271441.db2.gz AWMVPXAUJJTFMK-UHFFFAOYSA-N 0 3 361.442 2.698 20 5 FFBDHN CNC(=O)c1ccc(NC[C@@H](c2cccc(F)c2)N(C)C)c([N+](=O)[O-])c1 ZINC000053550513 506402665 /nfs/dbraw/zinc/40/26/65/506402665.db2.gz UAZRBCHHTSJDNR-KRWDZBQOSA-N 0 3 360.389 2.808 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CCN(C)C1CCCCC1 ZINC000065971377 506403771 /nfs/dbraw/zinc/40/37/71/506403771.db2.gz DTGABOWTWCXFLF-UHFFFAOYSA-N 0 3 369.487 2.788 20 5 FFBDHN CN(C)CCOc1ccccc1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000054167648 506505383 /nfs/dbraw/zinc/50/53/83/506505383.db2.gz AFJPXZAECBVROO-UHFFFAOYSA-N 0 3 357.410 2.508 20 5 FFBDHN CC1CCN(CCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000054779719 506619236 /nfs/dbraw/zinc/61/92/36/506619236.db2.gz IAVFWPJSNUWKGI-UHFFFAOYSA-N 0 3 360.458 2.657 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NCCCN(C)Cc1ccccc1 ZINC000009983132 506721161 /nfs/dbraw/zinc/72/11/61/506721161.db2.gz OARUZQQSCAHQMS-UHFFFAOYSA-N 0 3 357.410 2.855 20 5 FFBDHN COc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)cc1[N+](=O)[O-] ZINC000067269109 506811087 /nfs/dbraw/zinc/81/10/87/506811087.db2.gz ZUKDZLJFPVVYPA-KRWDZBQOSA-N 0 3 357.410 2.945 20 5 FFBDHN CN(CCNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000067282104 506817843 /nfs/dbraw/zinc/81/78/43/506817843.db2.gz ZVDKFBNSIMMVQQ-UHFFFAOYSA-N 0 3 374.363 2.626 20 5 FFBDHN CC(C)[NH+](CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000012141381 506822542 /nfs/dbraw/zinc/82/25/42/506822542.db2.gz OHUAIPBQMONHOU-UHFFFAOYSA-N 0 3 363.867 2.645 20 5 FFBDHN CN(CCCNC(=O)CNc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000067706408 506983226 /nfs/dbraw/zinc/98/32/26/506983226.db2.gz QGIBFKQTGFOGJR-UHFFFAOYSA-N 0 3 356.426 2.645 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C2CCCC2)CC1 ZINC000045768853 507016423 /nfs/dbraw/zinc/01/64/23/507016423.db2.gz ILWJQPUQZYSUOD-UHFFFAOYSA-N 0 3 360.458 2.792 20 5 FFBDHN COc1ccc(CC(=O)NC[C@H](c2ccc(C)cc2)N(C)C)cc1[N+](=O)[O-] ZINC000067914228 507050825 /nfs/dbraw/zinc/05/08/25/507050825.db2.gz BDTQOUADHMQXGF-GOSISDBHSA-N 0 3 371.437 2.873 20 5 FFBDHN COc1ccc(CN2CCC(CNC(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1 ZINC000068801382 507328681 /nfs/dbraw/zinc/32/86/81/507328681.db2.gz QBRFYMCHQFPCTD-UHFFFAOYSA-N 0 3 373.409 2.838 20 5 FFBDHN C[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000026729820 507605843 /nfs/dbraw/zinc/60/58/43/507605843.db2.gz XHEPSXYRCZCZDP-ZDUSSCGKSA-N 0 3 354.410 2.552 20 5 FFBDHN CC(=O)Nc1cccc([C@H](C)NC[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000028917733 507749673 /nfs/dbraw/zinc/74/96/73/507749673.db2.gz VQTBXTOPYYUWKN-UGSOOPFHSA-N 0 3 373.409 2.644 20 5 FFBDHN CC(C)(C)N1CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000063728040 507765205 /nfs/dbraw/zinc/76/52/05/507765205.db2.gz JBFHBFHVHDOJNJ-UHFFFAOYSA-N 0 3 358.442 2.882 20 5 FFBDHN O=c1[nH]cnc2cc(N[C@H]3CCN(Cc4ccccc4)C3)c([N+](=O)[O-])cc21 ZINC000072991019 507881660 /nfs/dbraw/zinc/88/16/60/507881660.db2.gz KPIWAXMWUJLJCR-AWEZNQCLSA-N 0 3 365.393 2.518 20 5 FFBDHN Cc1ccc([C@@H](C)NC(=O)Nc2cnn(CCN(C)C)c2)cc1[N+](=O)[O-] ZINC000078633917 507891410 /nfs/dbraw/zinc/89/14/10/507891410.db2.gz YJJPNCZLVYNJJB-CYBMUJFWSA-N 0 3 360.418 2.544 20 5 FFBDHN CC(C)[C@H](CNc1ccc([N+](=O)[O-])c2cccnc12)N1CCN(C)CC1 ZINC000078886508 507914545 /nfs/dbraw/zinc/91/45/45/507914545.db2.gz HCKGNVVPAKUCNE-SFHVURJKSA-N 0 3 357.458 2.827 20 5 FFBDHN CN1CCC(N(Cc2ccco2)C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000073826100 507959710 /nfs/dbraw/zinc/95/97/10/507959710.db2.gz JYGMKXVRTUSOOH-UHFFFAOYSA-N 0 3 357.410 2.853 20 5 FFBDHN CCc1nn(C)c(N(C)[C@H]2CCCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000091730779 508005595 /nfs/dbraw/zinc/00/55/95/508005595.db2.gz ROIMUJUWPAIFOS-INIZCTEOSA-N 0 3 357.458 2.992 20 5 FFBDHN CCN1CCN(C[C@@H](C)CNc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000112075076 508148747 /nfs/dbraw/zinc/14/87/47/508148747.db2.gz DFJWOUWXVSPFKB-HNNXBMFYSA-N 0 3 357.458 2.829 20 5 FFBDHN CC[C@H](C)N(C)CCNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000112079817 508149624 /nfs/dbraw/zinc/14/96/24/508149624.db2.gz KACPCQVOPIFIFM-ZDUSSCGKSA-N 0 3 359.430 2.702 20 5 FFBDHN C[C@@H]1CN(CCCCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@H](C)O1 ZINC000085456940 508309550 /nfs/dbraw/zinc/30/95/50/508309550.db2.gz AHAJRVYAZGPOCG-OKILXGFUSA-N 0 3 374.441 2.695 20 5 FFBDHN C[C@@H]1CN(CCCCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000085457680 508309728 /nfs/dbraw/zinc/30/97/28/508309728.db2.gz GBBUOUVPRBXRJW-BETUJISGSA-N 0 3 369.849 2.867 20 5 FFBDHN C[C@@H]1CN(CCCCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H](C)O1 ZINC000085457043 508309995 /nfs/dbraw/zinc/30/99/95/508309995.db2.gz UEJPLLPHWAYBDS-ZIAGYGMSSA-N 0 3 374.441 2.695 20 5 FFBDHN CC[C@H]1CCCCN1CCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000087104109 508337041 /nfs/dbraw/zinc/33/70/41/508337041.db2.gz JWFJXADCQKQFEM-KRWDZBQOSA-N 0 3 360.458 2.927 20 5 FFBDHN CN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CCc1nccs1 ZINC000157485787 508572074 /nfs/dbraw/zinc/57/20/74/508572074.db2.gz CHESFOUPKWMZRD-UHFFFAOYSA-N 0 3 362.411 2.524 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000122792553 508587246 /nfs/dbraw/zinc/58/72/46/508587246.db2.gz JZJYRTKJQWUYRC-CYBMUJFWSA-N 0 3 350.419 2.845 20 5 FFBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccc(-n4ccnc4)cc3)C2)nc1 ZINC000118866043 508688056 /nfs/dbraw/zinc/68/80/56/508688056.db2.gz NTDPNJNHCNGKAK-MRXNPFEDSA-N 0 3 364.409 2.862 20 5 FFBDHN C[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC(C)CC1 ZINC000119241114 508755699 /nfs/dbraw/zinc/75/56/99/508755699.db2.gz JVEMRHATFDTIKF-CQSZACIVSA-N 0 3 358.442 2.855 20 5 FFBDHN COCCN1CCC(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000138557358 508775489 /nfs/dbraw/zinc/77/54/89/508775489.db2.gz DUBGKXHEUMZNIW-UHFFFAOYSA-N 0 3 363.439 2.650 20 5 FFBDHN CN(C)C[C@@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000159104753 508792725 /nfs/dbraw/zinc/79/27/25/508792725.db2.gz ONZIDDRHEXIVBO-JTQLQIEISA-N 0 3 356.220 2.524 20 5 FFBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCN1C ZINC000124188409 508794633 /nfs/dbraw/zinc/79/46/33/508794633.db2.gz HEOHYKIAKFFWAO-PWSUYJOCSA-N 0 3 370.247 2.912 20 5 FFBDHN C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2Br)CCN1C ZINC000124337731 508817654 /nfs/dbraw/zinc/81/76/54/508817654.db2.gz AZAPCUJLYPDRHG-WDEREUQCSA-N 0 3 370.247 2.912 20 5 FFBDHN CN(C)CCn1cc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cn1 ZINC000125947511 509047956 /nfs/dbraw/zinc/04/79/56/509047956.db2.gz AYHISYPMWLAPAJ-UHFFFAOYSA-N 0 3 372.429 2.549 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](Oc2ccncc2)C1 ZINC000156321375 509160002 /nfs/dbraw/zinc/16/00/02/509160002.db2.gz CSMOOTNPRSLFMV-QGZVFWFLSA-N 0 3 370.409 2.780 20 5 FFBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000248008555 509214625 /nfs/dbraw/zinc/21/46/25/509214625.db2.gz QLNPDCZVFROJDF-GJZGRUSLSA-N 0 3 371.441 2.631 20 5 FFBDHN CN(C)[C@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000191887559 509231658 /nfs/dbraw/zinc/23/16/58/509231658.db2.gz FEMCKNMCEXPTRP-QGZVFWFLSA-N 0 3 369.487 2.525 20 5 FFBDHN COc1cc(CN2CCN3CCCC[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000172804780 509247127 /nfs/dbraw/zinc/24/71/27/509247127.db2.gz WQOIQSNQUGJUEW-CYBMUJFWSA-N 0 3 371.384 2.875 20 5 FFBDHN CN1CCCN(c2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000172824852 509256650 /nfs/dbraw/zinc/25/66/50/509256650.db2.gz ZHFWWAIWYYWAOJ-UHFFFAOYSA-N 0 3 368.437 2.918 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N2CCCN(C(C)C)CC2)cc1SC ZINC000264130616 509344189 /nfs/dbraw/zinc/34/41/89/509344189.db2.gz KSZXSDLKJKKPIT-UHFFFAOYSA-N 0 3 367.471 2.882 20 5 FFBDHN CC1CCN(CCNC(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000182660509 509355791 /nfs/dbraw/zinc/35/57/91/509355791.db2.gz CYFSJIFZSKYKPI-UHFFFAOYSA-N 0 3 370.247 2.819 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CN1C1CC1 ZINC000185838018 509378413 /nfs/dbraw/zinc/37/84/13/509378413.db2.gz JNIJYKWZJMJAOO-CMPLNLGQSA-N 0 3 352.822 2.673 20 5 FFBDHN O=[N+]([O-])c1ccn(CCN(CCCO)Cc2ccc(Cl)c(Cl)c2)n1 ZINC000176238056 509395178 /nfs/dbraw/zinc/39/51/78/509395178.db2.gz BHSNUJULRGOMHQ-UHFFFAOYSA-N 0 3 373.240 2.983 20 5 FFBDHN CC(C)N1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000267436094 509481396 /nfs/dbraw/zinc/48/13/96/509481396.db2.gz ACWOBVAAFXFMJH-UHFFFAOYSA-N 0 3 370.247 2.914 20 5 FFBDHN C[C@H]1CN(CCC2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)C[C@H](C)O1 ZINC000267449239 509490204 /nfs/dbraw/zinc/49/02/04/509490204.db2.gz ZTDNCNGODSTVRS-KBPBESRZSA-N 0 3 365.430 2.539 20 5 FFBDHN CC(C)c1ccc([C@H](N)CNC(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000236765459 509500033 /nfs/dbraw/zinc/50/00/33/509500033.db2.gz BRFSDBQGPWKESP-GOSISDBHSA-N 0 3 357.410 2.913 20 5 FFBDHN O=C1CCCN1C[C@@H](NCCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000179562451 509514045 /nfs/dbraw/zinc/51/40/45/509514045.db2.gz BWRLQEOUPWNHCU-QGZVFWFLSA-N 0 3 369.421 2.927 20 5 FFBDHN C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183018827 509551207 /nfs/dbraw/zinc/55/12/07/509551207.db2.gz OKONZCAESCBHFO-RYUDHWBXSA-N 0 3 373.500 2.588 20 5 FFBDHN C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183018827 509551211 /nfs/dbraw/zinc/55/12/11/509551211.db2.gz OKONZCAESCBHFO-RYUDHWBXSA-N 0 3 373.500 2.588 20 5 FFBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000183022433 509553215 /nfs/dbraw/zinc/55/32/15/509553215.db2.gz AIGUOKOHBCUSGD-MFKMUULPSA-N 0 3 357.357 2.608 20 5 FFBDHN COc1cccc(N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000186164269 509553652 /nfs/dbraw/zinc/55/36/52/509553652.db2.gz CWFPJCAXKGRMDG-HXUWFJFHSA-N 0 3 371.437 2.677 20 5 FFBDHN CN(C)[C@@H](CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000237167750 509586382 /nfs/dbraw/zinc/58/63/82/509586382.db2.gz XCPWXXAQSALLRN-KRWDZBQOSA-N 0 3 369.425 2.981 20 5 FFBDHN O=C1CCCCN1CC1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000173440632 509600179 /nfs/dbraw/zinc/60/01/79/509600179.db2.gz APGKAOSRQXRBJZ-UHFFFAOYSA-N 0 3 361.442 2.698 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCCO[C@@H]1CC(C)C ZINC000186339957 509657677 /nfs/dbraw/zinc/65/76/77/509657677.db2.gz VRZJOUOJOFJAIO-RHSMWYFYSA-N 0 3 365.430 2.725 20 5 FFBDHN CC(C)C[C@@H]1OCCC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000186344340 509661071 /nfs/dbraw/zinc/66/10/71/509661071.db2.gz IUIBMPHRDOCJTB-SJORKVTESA-N 0 3 370.471 2.552 20 5 FFBDHN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@@H]1CN1CCCC1 ZINC000170684320 509719764 /nfs/dbraw/zinc/71/97/64/509719764.db2.gz GWEXHLOPWBHEIJ-MRXNPFEDSA-N 0 3 358.442 2.870 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3CCS(=O)(=O)C3)s2)cc1 ZINC000237989514 509792427 /nfs/dbraw/zinc/79/24/27/509792427.db2.gz KWZFZJZBIWJTGP-LBPRGKRZSA-N 0 3 366.464 2.848 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000268231964 509827519 /nfs/dbraw/zinc/82/75/19/509827519.db2.gz SIUUPBGPXHSAJX-TVQRCGJNSA-N 0 3 368.231 2.570 20 5 FFBDHN CC(=O)c1cccc(OC[C@@H](O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180420190 509916089 /nfs/dbraw/zinc/91/60/89/509916089.db2.gz HNIWXNDKEYCOGP-ACJLOTCBSA-N 0 3 358.394 2.888 20 5 FFBDHN C[C@H](NCCOc1cccc(S(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000180437682 509925757 /nfs/dbraw/zinc/92/57/57/509925757.db2.gz VPXAXYHTYMLYPZ-ZDUSSCGKSA-N 0 3 364.423 2.728 20 5 FFBDHN COc1ccccc1COC[C@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180443963 509927986 /nfs/dbraw/zinc/92/79/86/509927986.db2.gz BYEORHPZPONILD-RDTXWAMCSA-N 0 3 360.410 2.832 20 5 FFBDHN CC(=O)Nc1ccc(OC[C@@H](O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180453366 509932609 /nfs/dbraw/zinc/93/26/09/509932609.db2.gz MDOBJXKMVAXXPA-ACJLOTCBSA-N 0 3 373.409 2.644 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cccc(CN(C)C)c1 ZINC000193490398 509937113 /nfs/dbraw/zinc/93/71/13/509937113.db2.gz UHFVXIDQCNAXEX-UHFFFAOYSA-N 0 3 358.398 2.987 20 5 FFBDHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000245515943 509979862 /nfs/dbraw/zinc/97/98/62/509979862.db2.gz FGMUGXDMKMFWSV-AAEUAGOBSA-N 0 3 369.368 2.895 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000193784498 510068785 /nfs/dbraw/zinc/06/87/85/510068785.db2.gz CUWIXLUBOVGEIP-INIZCTEOSA-N 0 3 354.410 2.550 20 5 FFBDHN CC(C)c1ccc([C@@H](N)CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000261963437 510131070 /nfs/dbraw/zinc/13/10/70/510131070.db2.gz AMAOWGUCYDJFGL-KRWDZBQOSA-N 0 3 363.439 2.697 20 5 FFBDHN C[C@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@H](c1ccccc1)N(C)C ZINC000187220198 510132523 /nfs/dbraw/zinc/13/25/23/510132523.db2.gz ZDGZOABKHBGRNU-YVEFUNNKSA-N 0 3 371.393 2.745 20 5 FFBDHN C[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000187258742 510155073 /nfs/dbraw/zinc/15/50/73/510155073.db2.gz GJGJNJVUZNAXIF-QRWLVFNGSA-N 0 3 370.453 2.839 20 5 FFBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](N(C)C)C1 ZINC000245819457 510157121 /nfs/dbraw/zinc/15/71/21/510157121.db2.gz UCDJOFBJLNVEAM-DGCLKSJQSA-N 0 3 354.838 2.601 20 5 FFBDHN Cn1cc(CNC[C@@](C)(O)c2ccco2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000174527858 510161151 /nfs/dbraw/zinc/16/11/51/510161151.db2.gz YSAVIWRNUPXWQI-GOSISDBHSA-N 0 3 356.382 2.586 20 5 FFBDHN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[C@@H](N(C)C)C3)cc2[N+](=O)[O-])C1 ZINC000246042477 510259844 /nfs/dbraw/zinc/25/98/44/510259844.db2.gz YKJFPKGKXKMEMA-BFYDXBDKSA-N 0 3 374.485 2.853 20 5 FFBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2NCCc3ccccc32)c1 ZINC000262426971 510276582 /nfs/dbraw/zinc/27/65/82/510276582.db2.gz SLPYFRFMYSZHIF-MRXNPFEDSA-N 0 3 357.435 2.934 20 5 FFBDHN COc1cc(C(=O)NCc2cccc(CN(C)C)c2)cc([N+](=O)[O-])c1OC ZINC000265900240 510289869 /nfs/dbraw/zinc/28/98/69/510289869.db2.gz DEFPXVVGEACCKL-UHFFFAOYSA-N 0 3 373.409 2.604 20 5 FFBDHN O=C(C[C@@H]1CNCCO1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000269219367 510297300 /nfs/dbraw/zinc/29/73/00/510297300.db2.gz MQUVCNIRVULBOE-QGZVFWFLSA-N 0 3 357.366 2.704 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000194474440 510384118 /nfs/dbraw/zinc/38/41/18/510384118.db2.gz GCKXMQLPKPLXBG-CQSZACIVSA-N 0 3 364.446 2.523 20 5 FFBDHN CCc1n[nH]c(C(=O)NCC(C)(C)N2CCC[C@@H](CC)C2)c1[N+](=O)[O-] ZINC000171873169 510423514 /nfs/dbraw/zinc/42/35/14/510423514.db2.gz PPZJULSRLGODQD-GFCCVEGCSA-N 0 3 351.451 2.511 20 5 FFBDHN C[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H]1COc2ccccc21 ZINC000246433330 510487920 /nfs/dbraw/zinc/48/79/20/510487920.db2.gz INEVIYKLOMUPFJ-KKXDTOCCSA-N 0 3 367.405 2.854 20 5 FFBDHN C[C@H](CN1CCCCC1)NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184727548 510488153 /nfs/dbraw/zinc/48/81/53/510488153.db2.gz NTHLIFYBRANHNQ-GFCCVEGCSA-N 0 3 354.838 2.922 20 5 FFBDHN CN(C)C1(CN(C)C(=O)c2cccc([N+](=O)[O-])c2Br)CCC1 ZINC000187889388 510489144 /nfs/dbraw/zinc/48/91/44/510489144.db2.gz BFWDZDKRYWJPRP-UHFFFAOYSA-N 0 3 370.247 2.914 20 5 FFBDHN C[C@@H](NCc1ccc(N2CCN(C)CC2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000178224287 510496548 /nfs/dbraw/zinc/49/65/48/510496548.db2.gz YKPQEDGBNNRRSS-OAHLLOKOSA-N 0 3 355.442 2.592 20 5 FFBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000263002487 510516974 /nfs/dbraw/zinc/51/69/74/510516974.db2.gz PYADBJWOVMNNRY-UHFFFAOYSA-N 0 3 371.319 2.606 20 5 FFBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C1CC[NH+](C2CCCCC2)CC1 ZINC000175414971 510635332 /nfs/dbraw/zinc/63/53/32/510635332.db2.gz CEXRKPHQZFTBOR-UHFFFAOYSA-N 0 3 367.471 2.670 20 5 FFBDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000266555097 510655921 /nfs/dbraw/zinc/65/59/21/510655921.db2.gz PMTIQNYOSXJHSY-INIZCTEOSA-N 0 3 356.426 2.907 20 5 FFBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181952436 510676395 /nfs/dbraw/zinc/67/63/95/510676395.db2.gz STLODMCIXKGSGD-LLVKDONJSA-N 0 3 357.357 2.610 20 5 FFBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246812587 510689561 /nfs/dbraw/zinc/68/95/61/510689561.db2.gz NJYNWJUTOZPPFZ-ZRGWGRIASA-N 0 3 372.469 2.871 20 5 FFBDHN CCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1cc2ccccc2o1 ZINC000246850052 510709505 /nfs/dbraw/zinc/70/95/05/510709505.db2.gz ZTXWGCZHPKVOAW-CJNGLKHVSA-N 0 3 358.398 2.982 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCN[C@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000182115858 510764967 /nfs/dbraw/zinc/76/49/67/510764967.db2.gz MRBLVUBLHMMUCM-HXUWFJFHSA-N 0 3 371.437 2.637 20 5 FFBDHN COCCCN1CCC(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000263697656 510796632 /nfs/dbraw/zinc/79/66/32/510796632.db2.gz ARDQGGJQQUDTRJ-UHFFFAOYSA-N 0 3 361.398 2.572 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000247050240 510816897 /nfs/dbraw/zinc/81/68/97/510816897.db2.gz ZHNLQPAYZDKSIC-HNAYVOBHSA-N 0 3 372.469 2.790 20 5 FFBDHN C[C@H](CN1CCCCCC1)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000185419567 510840456 /nfs/dbraw/zinc/84/04/56/510840456.db2.gz IJLBDTZVFKTALR-OAHLLOKOSA-N 0 3 371.441 2.775 20 5 FFBDHN Cc1n[nH]c(C)c1[C@@H]1CCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182296463 510845662 /nfs/dbraw/zinc/84/56/62/510845662.db2.gz QRMLLJIYZBAMSG-HOCLYGCPSA-N 0 3 360.414 2.512 20 5 FFBDHN CN1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)C1 ZINC000293922477 510900041 /nfs/dbraw/zinc/90/00/41/510900041.db2.gz POCGHXFDJZYLCX-HNNXBMFYSA-N 0 3 357.332 2.781 20 5 FFBDHN C[C@@H]1C[C@@H](c2cccnc2)N(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000364527094 510915982 /nfs/dbraw/zinc/91/59/82/510915982.db2.gz JTKUQFOLHOCPEZ-LJHODMEESA-N 0 3 357.410 2.813 20 5 FFBDHN COc1cccc([C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])N2CCCC2)c1 ZINC000294334974 511030757 /nfs/dbraw/zinc/03/07/57/511030757.db2.gz KXLBENGTBNAAML-KRWDZBQOSA-N 0 3 363.458 2.784 20 5 FFBDHN O=C1CC[C@@H](NCc2ccc(Br)c([N+](=O)[O-])c2)C2(CCC2)N1 ZINC000282965960 511180168 /nfs/dbraw/zinc/18/01/68/511180168.db2.gz YSTUGAAHUPPENG-CYBMUJFWSA-N 0 3 368.231 2.648 20 5 FFBDHN COC(=O)[C@@H]1CCCCC[C@@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000294802440 511181705 /nfs/dbraw/zinc/18/17/05/511181705.db2.gz NAOIAIPFWVYTOI-CVEARBPZSA-N 0 3 364.398 2.673 20 5 FFBDHN C[C@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCN(C2CC2)C1 ZINC000295233316 511330505 /nfs/dbraw/zinc/33/05/05/511330505.db2.gz BXNQYSBMYYRIFG-CYBMUJFWSA-N 0 3 358.442 2.725 20 5 FFBDHN C[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCN(C2CCC2)C1 ZINC000292109566 511468195 /nfs/dbraw/zinc/46/81/95/511468195.db2.gz GWXJTCIQSPCILP-CQSZACIVSA-N 0 3 371.441 2.951 20 5 FFBDHN Cc1cc(OCC(=O)NCc2ccccc2CN(C)C)ccc1[N+](=O)[O-] ZINC000280558625 511511069 /nfs/dbraw/zinc/51/10/69/511511069.db2.gz NNQWHTYMTOWCMW-UHFFFAOYSA-N 0 3 357.410 2.660 20 5 FFBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1CN(C)C ZINC000281054703 511704331 /nfs/dbraw/zinc/70/43/31/511704331.db2.gz XWPWHTWKZRMSQE-UHFFFAOYSA-N 0 3 357.410 2.985 20 5 FFBDHN COCCOC1(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCOCC1 ZINC000296407337 511732064 /nfs/dbraw/zinc/73/20/64/511732064.db2.gz KSRWOYDBWXTLSY-HNNXBMFYSA-N 0 3 352.431 2.766 20 5 FFBDHN CC(C)[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)C1(CO)CCC1 ZINC000292829049 511736315 /nfs/dbraw/zinc/73/63/15/511736315.db2.gz QYMBAMBGQZPTPQ-KRWDZBQOSA-N 0 3 350.415 2.738 20 5 FFBDHN CN1CC[C@H]2OCCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[C@@H]2C1 ZINC000284550287 511768649 /nfs/dbraw/zinc/76/86/49/511768649.db2.gz HHLDLYHSLCXYIK-IEBWSBKVSA-N 0 3 357.410 2.760 20 5 FFBDHN CN1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[C@@H]1c1cccs1 ZINC000366141307 511863075 /nfs/dbraw/zinc/86/30/75/511863075.db2.gz BHVPSNVEHBNFQX-BLLLJJGKSA-N 0 3 360.439 2.864 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000275078749 512034739 /nfs/dbraw/zinc/03/47/39/512034739.db2.gz CNZMLXQCIXFIEK-NEPJUHHUSA-N 0 3 359.348 2.965 20 5 FFBDHN CS[C@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000275129597 512049966 /nfs/dbraw/zinc/04/99/66/512049966.db2.gz OJYMBBLIDJMHHV-KBPBESRZSA-N 0 3 369.874 2.900 20 5 FFBDHN CN(CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000411597840 512709183 /nfs/dbraw/zinc/70/91/83/512709183.db2.gz VZADRDXRTLUSGJ-RBUKOAKNSA-N 0 3 353.422 2.947 20 5 FFBDHN C[C@H](N[C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000370167935 512799919 /nfs/dbraw/zinc/79/99/19/512799919.db2.gz WZDFWORPOJLTKL-DZGCQCFKSA-N 0 3 354.410 2.623 20 5 FFBDHN CO[C@](C)([C@H](C)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000411979060 512899971 /nfs/dbraw/zinc/89/99/71/512899971.db2.gz ZOHDNYSWLSHERZ-MGPLVRAMSA-N 0 3 355.822 2.980 20 5 FFBDHN NC(=O)c1ccc(NC[C@@H]2CCCN2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000390708094 512910362 /nfs/dbraw/zinc/91/03/62/512910362.db2.gz SXSAVGPIUFEUCI-INIZCTEOSA-N 0 3 354.410 2.770 20 5 FFBDHN CN(C(=O)CN[C@@H](c1ccccc1)[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000374990127 513100452 /nfs/dbraw/zinc/10/04/52/513100452.db2.gz LSVNJUAOWYYMHH-UZLBHIALSA-N 0 3 369.421 2.925 20 5 FFBDHN Cc1c(CC(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)cccc1[N+](=O)[O-] ZINC000370816023 513109279 /nfs/dbraw/zinc/10/92/79/513109279.db2.gz HAWZIMDSWCGLAV-MRXNPFEDSA-N 0 3 369.421 2.802 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCN1CCCCCC1 ZINC000439875604 513201175 /nfs/dbraw/zinc/20/11/75/513201175.db2.gz ZVTQEXANSPKIAQ-UHFFFAOYSA-N 0 3 350.419 2.991 20 5 FFBDHN CCN1C[C@H](C)N(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C[C@@H]1C ZINC000450500785 513223868 /nfs/dbraw/zinc/22/38/68/513223868.db2.gz OEASKYBKAHKMOK-STQMWFEESA-N 0 3 357.414 2.540 20 5 FFBDHN Cc1nc(N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000450537580 513240497 /nfs/dbraw/zinc/24/04/97/513240497.db2.gz DZGPVLMVAWHSSJ-DLBZAZTESA-N 0 3 353.426 2.652 20 5 FFBDHN O=C(NC[C@H]1CCCCN1C1CC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000434425225 513320473 /nfs/dbraw/zinc/32/04/73/513320473.db2.gz NTNITVJZABOXRF-GOSISDBHSA-N 0 3 369.425 2.527 20 5 FFBDHN CCOc1cc(C(=O)Nc2ccc3c(c2)CNCC3)c([N+](=O)[O-])cc1OC ZINC000429340815 513345773 /nfs/dbraw/zinc/34/57/73/513345773.db2.gz WUSMCRJMFYAKAH-UHFFFAOYSA-N 0 3 371.393 2.900 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC(C)(C)C1(O)CCOCC1 ZINC000418137581 513387015 /nfs/dbraw/zinc/38/70/15/513387015.db2.gz SZCQLBHVVPHILF-UHFFFAOYSA-N 0 3 352.431 2.651 20 5 FFBDHN CC(C)N1CCC[C@@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000450929607 513409460 /nfs/dbraw/zinc/40/94/60/513409460.db2.gz JTPCYRBSABCEMH-CQSZACIVSA-N 0 3 357.414 2.588 20 5 FFBDHN C[C@H](NC(=O)NCCCNCc1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000418230250 513432163 /nfs/dbraw/zinc/43/21/63/513432163.db2.gz IYYMBFHJNBYMOD-AWEZNQCLSA-N 0 3 357.414 2.530 20 5 FFBDHN CCN1CCN(C[C@H](C)CNc2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413087959 513436837 /nfs/dbraw/zinc/43/68/37/513436837.db2.gz ZYWYIKLORGZCJF-OAHLLOKOSA-N 0 3 357.458 2.829 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCN3C[C@H]4CC[C@@H](C3)O4)o2)cc1 ZINC000451221995 513603909 /nfs/dbraw/zinc/60/39/09/513603909.db2.gz KYZVMDBDAZIPEK-HDICACEKSA-N 0 3 357.410 2.808 20 5 FFBDHN CN(C)[C@H](CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000416187828 513632100 /nfs/dbraw/zinc/63/21/00/513632100.db2.gz GYJUBUSJAYEXEJ-GOSISDBHSA-N 0 3 354.410 2.568 20 5 FFBDHN CCO[C@@H]1C[C@@H](N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C12CCC2 ZINC000451484533 513779837 /nfs/dbraw/zinc/77/98/37/513779837.db2.gz XGEWXSBTHRUPAP-BRWVUGGUSA-N 0 3 359.426 2.637 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCN1C ZINC000426068456 513839386 /nfs/dbraw/zinc/83/93/86/513839386.db2.gz YHYBJVIRRUYHLJ-MFKMUULPSA-N 0 3 374.363 2.896 20 5 FFBDHN C[C@H](CN1CCCCC1)NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448691446 513846458 /nfs/dbraw/zinc/84/64/58/513846458.db2.gz QTMYGNAQYFWCTP-CYBMUJFWSA-N 0 3 357.414 2.589 20 5 FFBDHN C[C@H](NS(=O)(=O)c1ccc(CN(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000451587588 513850686 /nfs/dbraw/zinc/85/06/86/513850686.db2.gz MKZCZWZALDEPNV-ZDUSSCGKSA-N 0 3 363.439 2.696 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](C(C)C)[C@H](CO)C(C)C ZINC000451605382 513862706 /nfs/dbraw/zinc/86/27/06/513862706.db2.gz ZTTDCNRIFGSZBR-PBHICJAKSA-N 0 3 351.447 2.720 20 5 FFBDHN C[C@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)CN1CCCCC1 ZINC000448754915 513881833 /nfs/dbraw/zinc/88/18/33/513881833.db2.gz XZKUAEWKILKEQZ-OAHLLOKOSA-N 0 3 361.442 2.796 20 5 FFBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCSC[C@H]1C1CC1 ZINC000451658928 513894720 /nfs/dbraw/zinc/89/47/20/513894720.db2.gz YXTHLXFRIIYHBQ-HNNXBMFYSA-N 0 3 363.439 2.720 20 5 FFBDHN Cc1ccc(C)c(S(=O)(=O)N(C)C(C)(C)CN2CCCC2)c1[N+](=O)[O-] ZINC000416663097 513895530 /nfs/dbraw/zinc/89/55/30/513895530.db2.gz PRQPFRMRZZAITG-UHFFFAOYSA-N 0 3 369.487 2.707 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431495427 513911451 /nfs/dbraw/zinc/91/14/51/513911451.db2.gz JHIWEFPKLPDWEY-XPTSAGLGSA-N 0 3 368.231 2.570 20 5 FFBDHN O=C(NCCN1CCCCCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431510380 513915714 /nfs/dbraw/zinc/91/57/14/513915714.db2.gz GXAQHKHADZOXKL-UHFFFAOYSA-N 0 3 370.247 2.963 20 5 FFBDHN CS(=O)(=O)CC1(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000414321921 514046751 /nfs/dbraw/zinc/04/67/51/514046751.db2.gz DSZYTSKFFVVQGE-MRXNPFEDSA-N 0 3 352.456 2.777 20 5 FFBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1cnc(N2CCOCC2)c(F)c1 ZINC000449248403 514130192 /nfs/dbraw/zinc/13/01/92/514130192.db2.gz JCSAZNTYFYXEOM-CQSZACIVSA-N 0 3 374.416 2.686 20 5 FFBDHN COC(=O)[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2OC)C[C@H]1c1ccccc1 ZINC000452010799 514134958 /nfs/dbraw/zinc/13/49/58/514134958.db2.gz WFOCZKRHYOJPJL-ROUUACIJSA-N 0 3 370.405 2.992 20 5 FFBDHN COc1cc(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000452121715 514205924 /nfs/dbraw/zinc/20/59/24/514205924.db2.gz KUQPZBSSNPROOY-SLEUVZQESA-N 0 3 365.405 2.545 20 5 FFBDHN C[C@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCN(C2CC2)C1 ZINC000452172809 514229534 /nfs/dbraw/zinc/22/95/34/514229534.db2.gz ZELRZILKVWILHX-OAHLLOKOSA-N 0 3 360.458 2.730 20 5 FFBDHN O=C(Nc1cccc(CN2CCC(O)CC2)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000444456198 514234936 /nfs/dbraw/zinc/23/49/36/514234936.db2.gz VZDNJRSSRRUVMQ-UHFFFAOYSA-N 0 3 373.384 2.943 20 5 FFBDHN CNC(=O)C[C@H](C)NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000449599204 514266691 /nfs/dbraw/zinc/26/66/91/514266691.db2.gz FTWHISJTSJDPDC-AWEZNQCLSA-N 0 3 356.426 2.977 20 5 FFBDHN COc1ccc(-c2ccc(CN3CCNC[C@@](C)(F)C3)o2)c([N+](=O)[O-])c1 ZINC000414776190 514286505 /nfs/dbraw/zinc/28/65/05/514286505.db2.gz MWTHETJTWXSPMQ-GOSISDBHSA-N 0 3 363.389 2.997 20 5 FFBDHN CCN1CCN(CC(C)(C)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000449743892 514331430 /nfs/dbraw/zinc/33/14/30/514331430.db2.gz BXHLHKIDEOXFSP-UHFFFAOYSA-N 0 3 354.882 2.754 20 5 FFBDHN C[C@@H]1CCCCN1CCNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000427920239 514345984 /nfs/dbraw/zinc/34/59/84/514345984.db2.gz AUVQPJRTCVWQCP-CQSZACIVSA-N 0 3 372.425 2.512 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCO[C@@H](c2nccn2C)C1 ZINC000449779146 514350063 /nfs/dbraw/zinc/35/00/63/514350063.db2.gz XMIXWSREEMWQEU-WMLDXEAASA-N 0 3 360.414 2.737 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H](CC(F)(F)F)C1 ZINC000420948802 514396732 /nfs/dbraw/zinc/39/67/32/514396732.db2.gz OFFBVIJLQQBHDI-QWHCGFSZSA-N 0 3 362.348 2.999 20 5 FFBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)C[C@@H]1CCCN1C ZINC000420994433 514429691 /nfs/dbraw/zinc/42/96/91/514429691.db2.gz CDQFXFDDXJBCGC-YPMHNXCESA-N 0 3 354.838 2.601 20 5 FFBDHN Cc1cc([C@H](C)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cs1 ZINC000453151829 514559522 /nfs/dbraw/zinc/55/95/22/514559522.db2.gz WKAZLUZDNQXFNC-LBPRGKRZSA-N 0 3 369.468 2.594 20 5 FFBDHN CNc1nc(C(=O)Nc2ccc(OCCN(C)C)c(C)c2)ccc1[N+](=O)[O-] ZINC000458214472 514635655 /nfs/dbraw/zinc/63/56/55/514635655.db2.gz OXVNAROATAVARX-UHFFFAOYSA-N 0 3 373.413 2.533 20 5 FFBDHN CN(C)CCn1nccc1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000455662893 514667321 /nfs/dbraw/zinc/66/73/21/514667321.db2.gz WOZKIRQFDDEZCB-UHFFFAOYSA-N 0 3 372.429 2.549 20 5 FFBDHN COc1ccc(-c2ccc(CNC[C@@]3(C)CCC(=O)N3)o2)c([N+](=O)[O-])c1 ZINC000453585047 514703141 /nfs/dbraw/zinc/70/31/41/514703141.db2.gz FUBFOEGDRWYOKC-GOSISDBHSA-N 0 3 359.382 2.622 20 5 FFBDHN CCCCN1CCCC[C@H]1CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000502713890 514748424 /nfs/dbraw/zinc/74/84/24/514748424.db2.gz UBODHGIHWNEDSC-HNNXBMFYSA-N 0 3 369.487 2.836 20 5 FFBDHN Cc1cc(N(C)CCCN2CCN(C)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461976078 514814504 /nfs/dbraw/zinc/81/45/04/514814504.db2.gz ZOWVTSCQEXPYJU-UHFFFAOYSA-N 0 3 374.407 2.996 20 5 FFBDHN CCO[C@H]1C[C@@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCCCC2 ZINC000503425871 515030042 /nfs/dbraw/zinc/03/00/42/515030042.db2.gz MNTUBUUNJGXYCT-SJORKVTESA-N 0 3 361.442 2.911 20 5 FFBDHN CSCC[C@H](N[C@H](C)CCc1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000489955814 515046689 /nfs/dbraw/zinc/04/66/89/515046689.db2.gz LTCCWXNTUDEMRP-HIFRSBDPSA-N 0 3 353.488 2.715 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@H](c3ccccc3F)C2)c1 ZINC000503702944 515125285 /nfs/dbraw/zinc/12/52/85/515125285.db2.gz RSFSGNRUTIFDBE-ZBFHGGJFSA-N 0 3 360.385 2.963 20 5 FFBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000468488083 515382901 /nfs/dbraw/zinc/38/29/01/515382901.db2.gz PBJLIEOQDOORSS-QGZVFWFLSA-N 0 3 371.441 2.631 20 5 FFBDHN C[C@@H](CO)N1CCCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000468749177 515502025 /nfs/dbraw/zinc/50/20/25/515502025.db2.gz JEOYXINFRHFZDV-AWEZNQCLSA-N 0 3 351.447 2.665 20 5 FFBDHN COCCN1CC[C@@H](N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000492146112 515506759 /nfs/dbraw/zinc/50/67/59/515506759.db2.gz YCINQAZKALPDKW-QUCCMNQESA-N 0 3 355.438 2.995 20 5 FFBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1ccco1)N(C)C ZINC000499973414 515542906 /nfs/dbraw/zinc/54/29/06/515542906.db2.gz BZSXMPHKRGDWNA-BBRMVZONSA-N 0 3 360.414 2.797 20 5 FFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)C1CC1 ZINC000505638495 515617923 /nfs/dbraw/zinc/61/79/23/515617923.db2.gz VGYPNSJJPIFENG-UHFFFAOYSA-N 0 3 370.247 2.832 20 5 FFBDHN Cc1cc(C)c(S(=O)(=O)NC[C@H](C)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000493443715 515634485 /nfs/dbraw/zinc/63/44/85/515634485.db2.gz UDZYPYMNERHWGY-ZDUSSCGKSA-N 0 3 369.487 2.612 20 5 FFBDHN CN(C)CCN(C(=O)CN(C)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000463845067 515637696 /nfs/dbraw/zinc/63/76/96/515637696.db2.gz LDUUMKFOLMZOAB-UHFFFAOYSA-N 0 3 362.474 2.754 20 5 FFBDHN C[C@H](N[C@@H]1CCC[C@@]1(C)CO)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000493526134 515639314 /nfs/dbraw/zinc/63/93/14/515639314.db2.gz MTLGHWFUDHJMBA-JJMVLAAESA-N 0 3 355.822 2.716 20 5 FFBDHN CC(=Cc1cccc([N+](=O)[O-])c1)CNc1ccn(C2CCN(C)CC2)n1 ZINC000486804814 515641719 /nfs/dbraw/zinc/64/17/19/515641719.db2.gz WWIPHLNTHFOXGE-NTCAYCPXSA-N 0 3 355.442 2.995 20 5 FFBDHN COC[C@@H]1C[C@@H](OC)CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000493579595 515645418 /nfs/dbraw/zinc/64/54/18/515645418.db2.gz OSKJKBOLXWLHQN-JKSUJKDBSA-N 0 3 361.398 2.528 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454677839 515659379 /nfs/dbraw/zinc/65/93/79/515659379.db2.gz GSYVBMYKEZTMAD-IDHHARJASA-N 0 3 372.469 2.967 20 5 FFBDHN CN(C)CCOc1cccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])c1 ZINC000500304848 515662112 /nfs/dbraw/zinc/66/21/12/515662112.db2.gz NEWYMEAQCHGRSX-UHFFFAOYSA-N 0 3 372.425 2.976 20 5 FFBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCNc1ccncc1 ZINC000505805561 515679251 /nfs/dbraw/zinc/67/92/51/515679251.db2.gz SMGDYUHEHJAVFK-UHFFFAOYSA-N 0 3 360.439 2.756 20 5 FFBDHN CN(C)C1(CNC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCC1 ZINC000454816184 515763141 /nfs/dbraw/zinc/76/31/41/515763141.db2.gz ADYBVXKKOUFKGS-MRXNPFEDSA-N 0 3 360.458 2.968 20 5 FFBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)COCc1ccccc1F ZINC000511068312 515764461 /nfs/dbraw/zinc/76/44/61/515764461.db2.gz ZKYQESKOXKFHPY-KRWDZBQOSA-N 0 3 362.401 2.786 20 5 FFBDHN O=[N+]([O-])c1ccc(CN[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)c(F)c1 ZINC000478387038 515802592 /nfs/dbraw/zinc/80/25/92/515802592.db2.gz QXFLKTQZQMAGTI-PXNSSMCTSA-N 0 3 373.428 2.707 20 5 FFBDHN C[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C1=CCN(C)CC1 ZINC000511233229 515835274 /nfs/dbraw/zinc/83/52/74/515835274.db2.gz UIMNJEKYBGKIFU-CQSZACIVSA-N 0 3 358.442 2.919 20 5 FFBDHN C[C@@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000511564023 515945625 /nfs/dbraw/zinc/94/56/25/515945625.db2.gz YWGVXOOONNGVDY-INIZCTEOSA-N 0 3 362.474 2.899 20 5 FFBDHN CN(CCN1CCCC1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501087091 515974221 /nfs/dbraw/zinc/97/42/21/515974221.db2.gz SFPYGZPGCIPQEE-UHFFFAOYSA-N 0 3 371.235 2.917 20 5 FFBDHN Cc1c(CNC(=O)N[C@H](Cc2ccccc2)CN(C)C)cccc1[N+](=O)[O-] ZINC000478938384 516013139 /nfs/dbraw/zinc/01/31/39/516013139.db2.gz OZXZMRCVTDRKLO-GOSISDBHSA-N 0 3 370.453 2.875 20 5 FFBDHN CN(CCN1CCN(Cc2ccccc2)CC1)Cc1ccccc1[N+](=O)[O-] ZINC000511881257 516063371 /nfs/dbraw/zinc/06/33/71/516063371.db2.gz ZNRBFIWNMCATPA-UHFFFAOYSA-N 0 3 368.481 2.844 20 5 FFBDHN CCN1CCC[C@H]1CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000495181693 516092087 /nfs/dbraw/zinc/09/20/87/516092087.db2.gz DMOPVSYDEUZPBV-ZDUSSCGKSA-N 0 3 374.363 2.897 20 5 FFBDHN O=C(NC[C@H]1CCCCN1C1CC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000470164356 516156827 /nfs/dbraw/zinc/15/68/27/516156827.db2.gz UGKTWDHUFSVFTD-CQSZACIVSA-N 0 3 354.410 2.890 20 5 FFBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)C1(CCO)CCOCC1 ZINC000495466151 516173397 /nfs/dbraw/zinc/17/33/97/516173397.db2.gz WWODENXAISTQLJ-UHFFFAOYSA-N 0 3 352.431 2.745 20 5 FFBDHN Cc1ccc(S(=O)(=O)NCC2(N(C)C)CCCCCC2)c([N+](=O)[O-])c1 ZINC000507467757 516218216 /nfs/dbraw/zinc/21/82/16/516218216.db2.gz GCGJPDSKSLQGTH-UHFFFAOYSA-N 0 3 369.487 2.836 20 5 FFBDHN CCCN(CCN(CC)CC)S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000460910166 516281025 /nfs/dbraw/zinc/28/10/25/516281025.db2.gz QEUNIEMPCCLPAH-UHFFFAOYSA-N 0 3 371.503 2.954 20 5 FFBDHN CC(=O)c1cc(N2CC[C@@H](OCCN3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000557640186 516352794 /nfs/dbraw/zinc/35/27/94/516352794.db2.gz QOPNFMKNLWTNSP-QGZVFWFLSA-N 0 3 361.442 2.879 20 5 FFBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)CN(C)Cc1ccccc1 ZINC000561382980 516552931 /nfs/dbraw/zinc/55/29/31/516552931.db2.gz UUNNAULHDPYWDZ-CQSZACIVSA-N 0 3 356.426 2.887 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H](O)COc1ccc2c(c1)OCO2 ZINC000531695102 516599397 /nfs/dbraw/zinc/59/93/97/516599397.db2.gz BDVYUQFWSGMKMT-HIFRSBDPSA-N 0 3 374.393 2.722 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCC2(c3ccccc3)CC2)cc1 ZINC000558119287 516601821 /nfs/dbraw/zinc/60/18/21/516601821.db2.gz CKGGMZGCGXDAGK-UHFFFAOYSA-N 0 3 360.435 2.690 20 5 FFBDHN CCc1ccc([C@@H]2CCCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000513400945 516606353 /nfs/dbraw/zinc/60/63/53/516606353.db2.gz IGAWCINNALTFLK-MJGOQNOKSA-N 0 3 358.442 2.594 20 5 FFBDHN Cc1c([C@H](C)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000540745049 516693718 /nfs/dbraw/zinc/69/37/18/516693718.db2.gz DMEYTEYPRMUNKE-RDJZCZTQSA-N 0 3 364.490 2.646 20 5 FFBDHN Cc1c([C@H](C)N[C@@H](CC(C)C)C(=O)NCCN(C)C)cccc1[N+](=O)[O-] ZINC000540745049 516693727 /nfs/dbraw/zinc/69/37/27/516693727.db2.gz DMEYTEYPRMUNKE-RDJZCZTQSA-N 0 3 364.490 2.646 20 5 FFBDHN CN(CCC1CCN(c2ccncc2)CC1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000536487740 516786945 /nfs/dbraw/zinc/78/69/45/516786945.db2.gz FHFGZSFSMZGMTB-UHFFFAOYSA-N 0 3 371.441 2.707 20 5 FFBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514212112 516905316 /nfs/dbraw/zinc/90/53/16/516905316.db2.gz BGRPBSFYODNNDO-NSHDSACASA-N 0 3 357.357 2.610 20 5 FFBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1C(F)(F)F ZINC000537142852 517054588 /nfs/dbraw/zinc/05/45/88/517054588.db2.gz FRJGZJNIVLQBBK-CMPLNLGQSA-N 0 3 358.320 2.522 20 5 FFBDHN C[C@H]1CCCN(c2ccc(C(=O)N(C)[C@H]3CCCN(C)C3)cc2[N+](=O)[O-])C1 ZINC000525521509 517066844 /nfs/dbraw/zinc/06/68/44/517066844.db2.gz FNRGESWEXNJCAR-RDJZCZTQSA-N 0 3 374.485 2.997 20 5 FFBDHN CS[C@@H]1CN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1N1CCCC1 ZINC000562403370 517082496 /nfs/dbraw/zinc/08/24/96/517082496.db2.gz IASUYBDCAIMDSK-IAOVAPTHSA-N 0 3 363.483 2.737 20 5 FFBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H](CO)Cc2ccco2)c1 ZINC000532866285 517176203 /nfs/dbraw/zinc/17/62/03/517176203.db2.gz HYEMLVRZOPIFOA-NSHDSACASA-N 0 3 356.325 2.730 20 5 FFBDHN CC(C)CN1CCCC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533048146 517267219 /nfs/dbraw/zinc/26/72/19/517267219.db2.gz JSNRHVVWLGOUAT-ZDUSSCGKSA-N 0 3 363.414 2.564 20 5 FFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N(C)C1CC1 ZINC000559563178 517317922 /nfs/dbraw/zinc/31/79/22/517317922.db2.gz DGWBXIPRBJQFTQ-VIFPVBQESA-N 0 3 370.247 2.878 20 5 FFBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000548979761 517337675 /nfs/dbraw/zinc/33/76/75/517337675.db2.gz ZHCIBCYBDLGGHL-GOSISDBHSA-N 0 3 370.453 2.964 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCN1C[C@H](C)C[C@H](C)C1 ZINC000515524026 517392416 /nfs/dbraw/zinc/39/24/16/517392416.db2.gz UDRARHFPUDWUPH-OKILXGFUSA-N 0 3 369.487 2.550 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCN1C[C@H](C)C[C@@H](C)C1 ZINC000515524027 517392443 /nfs/dbraw/zinc/39/24/43/517392443.db2.gz UDRARHFPUDWUPH-ZIAGYGMSSA-N 0 3 369.487 2.550 20 5 FFBDHN C[N@H+](CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000515709235 517451858 /nfs/dbraw/zinc/45/18/58/517451858.db2.gz PCUQUOHUVRMTNS-UHFFFAOYSA-N 0 3 373.450 2.667 20 5 FFBDHN C[N@@H+](CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000515709235 517451868 /nfs/dbraw/zinc/45/18/68/517451868.db2.gz PCUQUOHUVRMTNS-UHFFFAOYSA-N 0 3 373.450 2.667 20 5 FFBDHN CN1CCC[C@H](CNC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000556565022 517495513 /nfs/dbraw/zinc/49/55/13/517495513.db2.gz XSSYAYKWDJHIJV-WBVHZDCISA-N 0 3 360.458 2.826 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@@H](C)N1CCCCC1 ZINC000542317556 517501645 /nfs/dbraw/zinc/50/16/45/517501645.db2.gz IXCNRDUKAIOVGM-CQSZACIVSA-N 0 3 369.487 2.700 20 5 FFBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1cnc2n1CCCC2 ZINC000556610194 517517263 /nfs/dbraw/zinc/51/72/63/517517263.db2.gz REFSWWTZCUBHNW-CYBMUJFWSA-N 0 3 357.414 2.635 20 5 FFBDHN COc1ccc(CNC(=O)NC[C@H](C)N2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000516158267 517590869 /nfs/dbraw/zinc/59/08/69/517590869.db2.gz SEKFVQXAAWWZHE-KGLIPLIRSA-N 0 3 364.446 2.666 20 5 FFBDHN COc1ccc(CNCc2cccc(N3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000549829554 517732702 /nfs/dbraw/zinc/73/27/02/517732702.db2.gz XAUQTUPYIUABMB-UHFFFAOYSA-N 0 3 357.410 2.730 20 5 FFBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1cnn2ccccc12 ZINC000556914169 517744142 /nfs/dbraw/zinc/74/41/42/517744142.db2.gz ZHLBYLIINNAUDJ-CYBMUJFWSA-N 0 3 353.382 2.749 20 5 FFBDHN CC[C@H](C)N[C@H](CNc1nc(C(=O)OC)ccc1[N+](=O)[O-])c1ccco1 ZINC000553601485 517803849 /nfs/dbraw/zinc/80/38/49/517803849.db2.gz MZUAVZYHZSLOIM-WCQYABFASA-N 0 3 362.386 2.911 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCCC[NH+]2CCCC2)c1C ZINC000557010912 517804364 /nfs/dbraw/zinc/80/43/64/517804364.db2.gz BBTKRFDHGKSTCE-UHFFFAOYSA-N 0 3 369.487 2.756 20 5 FFBDHN C[C@@H]1CN(CCCCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@H](C)O1 ZINC000534256503 517808512 /nfs/dbraw/zinc/80/85/12/517808512.db2.gz QMAXMXOQPOXZSI-OKILXGFUSA-N 0 3 374.441 2.695 20 5 FFBDHN CNc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000539032179 517891397 /nfs/dbraw/zinc/89/13/97/517891397.db2.gz ACYPDYYGGZGEAZ-UHFFFAOYSA-N 0 3 369.425 2.678 20 5 FFBDHN CCOc1ccc([C@@H](C)NCCC2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000539053022 517898504 /nfs/dbraw/zinc/89/85/04/517898504.db2.gz OIAYZOMRHNGLQX-CYBMUJFWSA-N 0 3 370.471 2.859 20 5 FFBDHN CCC[C@@H](C)[C@H](CC)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000539073130 517903201 /nfs/dbraw/zinc/90/32/01/517903201.db2.gz NYFNKUXDBFHWFA-KGLIPLIRSA-N 0 3 357.476 2.678 20 5 FFBDHN CCOC(=O)[C@]1(C(C)C)CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000516950035 517934198 /nfs/dbraw/zinc/93/41/98/517934198.db2.gz UWCOKEMFHCNBRH-GOSISDBHSA-N 0 3 350.415 2.885 20 5 FFBDHN CCOc1cc(NCc2ccncc2OCCN(C)C)ccc1[N+](=O)[O-] ZINC000517022654 517982980 /nfs/dbraw/zinc/98/29/80/517982980.db2.gz XASSJCYLQBFLST-UHFFFAOYSA-N 0 3 360.414 2.941 20 5 FFBDHN CS[C@@H]1CN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C[C@H]1N(C)C ZINC000534827657 518046751 /nfs/dbraw/zinc/04/67/51/518046751.db2.gz GEEJJVZARFTBFM-KCPJHIHWSA-N 0 3 369.512 2.579 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1 ZINC000554113725 518065985 /nfs/dbraw/zinc/06/59/85/518065985.db2.gz UZBZMQFNSPGZBU-SUNYJGFJSA-N 0 3 361.442 2.796 20 5 FFBDHN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000584175258 518214985 /nfs/dbraw/zinc/21/49/85/518214985.db2.gz PRGFOCVRJYDGQU-HNNXBMFYSA-N 0 3 369.425 2.882 20 5 FFBDHN CCc1ccc(C(=O)NCC2(SC)CCN(C)CC2)cc1[N+](=O)[O-] ZINC000581400800 518264781 /nfs/dbraw/zinc/26/47/81/518264781.db2.gz CRIFWTSMPVDHIM-UHFFFAOYSA-N 0 3 351.472 2.714 20 5 FFBDHN O=C(Nc1ccc2c(c1)CNCC2)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000578620761 518297217 /nfs/dbraw/zinc/29/72/17/518297217.db2.gz FTLIVFGOSATOHP-UHFFFAOYSA-N 0 3 352.394 2.831 20 5 FFBDHN CN(C)[C@H](CNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C)c1ccccc1 ZINC000585702173 518565815 /nfs/dbraw/zinc/56/58/15/518565815.db2.gz VRPBYKSHEFSBFS-GOSISDBHSA-N 0 3 369.425 2.500 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000567625036 518620230 /nfs/dbraw/zinc/62/02/30/518620230.db2.gz CKLLBHJYVLUOEE-FPMFFAJLSA-N 0 3 367.833 2.711 20 5 FFBDHN COC1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC(C)CC1 ZINC000567699444 518662864 /nfs/dbraw/zinc/66/28/64/518662864.db2.gz NYVKWILOCWALSF-UHFFFAOYSA-N 0 3 370.471 2.553 20 5 FFBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCCN1CCCO[C@H](C)C1 ZINC000588034060 518706827 /nfs/dbraw/zinc/70/68/27/518706827.db2.gz AYYOVJUDPRNBJQ-CQSZACIVSA-N 0 3 365.430 2.603 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccnc(OCCN(C)C)c2)c1 ZINC000573619157 518755437 /nfs/dbraw/zinc/75/54/37/518755437.db2.gz QGWLZPNJNKHWSM-UHFFFAOYSA-N 0 3 374.397 2.581 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](c2cccnc2)C1 ZINC000576869841 518803220 /nfs/dbraw/zinc/80/32/20/518803220.db2.gz DHJVPQSZBYLZIZ-HNNXBMFYSA-N 0 3 370.409 2.817 20 5 FFBDHN C[C@@H](O)C[C@H]1CCCCCN1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589187594 518944197 /nfs/dbraw/zinc/94/41/97/518944197.db2.gz BCCPRWHRCSTQOU-UKRRQHHQSA-N 0 3 350.415 2.882 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CN(CCN(C)C)C[C@H]1CCCO1 ZINC000589196065 518947769 /nfs/dbraw/zinc/94/77/69/518947769.db2.gz BOTPLZCQEFIYRV-QGZVFWFLSA-N 0 3 351.447 2.536 20 5 FFBDHN O=[N+]([O-])c1cc(I)ccc1N1C[C@H]2CCC[C@@H](C1)N2 ZINC000571150957 518950997 /nfs/dbraw/zinc/95/09/97/518950997.db2.gz ADSJLLXHFMHLJP-PHIMTYICSA-N 0 3 373.194 2.530 20 5 FFBDHN CN1C[C@H]2CCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000590446473 519236023 /nfs/dbraw/zinc/23/60/23/519236023.db2.gz VOBVPFYNTLEUHX-ZWNOBZJWSA-N 0 3 355.847 2.503 20 5 FFBDHN CN1CCN(CCCCN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000566073995 519282654 /nfs/dbraw/zinc/28/26/54/519282654.db2.gz QCUKJIGIKHGIFI-MRXNPFEDSA-N 0 3 374.407 2.815 20 5 FFBDHN Cc1c2ccccc2n(C)c1CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566123582 519316518 /nfs/dbraw/zinc/31/65/18/519316518.db2.gz MGPAKTSRGXXWMJ-HNNXBMFYSA-N 0 3 369.421 2.924 20 5 FFBDHN CC(C)N(C)c1ccccc1CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566132276 519322191 /nfs/dbraw/zinc/32/21/91/519322191.db2.gz VTLLXTZKBXVFCF-GOSISDBHSA-N 0 3 373.453 2.969 20 5 FFBDHN COC(=O)COc1ccc(CN2CC[C@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000566247892 519392663 /nfs/dbraw/zinc/39/26/63/519392663.db2.gz ZBEDWDRUEQGVQI-INIZCTEOSA-N 0 3 371.393 2.531 20 5 FFBDHN C[C@@H]1CN(C2CCOCC2)CCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000575036030 519463230 /nfs/dbraw/zinc/46/32/30/519463230.db2.gz NSOXNCOHNCMXMZ-CQSZACIVSA-N 0 3 356.426 2.833 20 5 FFBDHN CN(c1ccccc1)c1ccc(CNC[C@@H]2CCCNC2=O)cc1[N+](=O)[O-] ZINC000590971906 519464945 /nfs/dbraw/zinc/46/49/45/519464945.db2.gz VWRWCBXAXISHDO-INIZCTEOSA-N 0 3 368.437 2.979 20 5 FFBDHN NC(=O)C1CCN(Cc2ccc(CNc3sccc3[N+](=O)[O-])cc2)CC1 ZINC000591198529 519545124 /nfs/dbraw/zinc/54/51/24/519545124.db2.gz DGCAEIQEBFZYKD-UHFFFAOYSA-N 0 3 374.466 2.966 20 5 FFBDHN COc1c(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000581213263 519579293 /nfs/dbraw/zinc/57/92/93/519579293.db2.gz YBGNYAITGNVNLH-PBHICJAKSA-N 0 3 369.421 2.996 20 5 FFBDHN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC(N2CCCOCC2)CC1 ZINC000600007466 519998502 /nfs/dbraw/zinc/99/85/02/519998502.db2.gz SRSUZFYUONTLAL-UHFFFAOYSA-N 0 3 367.833 2.575 20 5 FFBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1c2ccccc2C[C@@H]1O ZINC000594519352 520011787 /nfs/dbraw/zinc/01/17/87/520011787.db2.gz PYVVBPVKGDGFIE-LWLIDHTLSA-N 0 3 355.394 2.560 20 5 FFBDHN C[C@@H](CNC[C@H](O)COc1ccccc1[N+](=O)[O-])Oc1ccc(F)cc1 ZINC000591744981 520019755 /nfs/dbraw/zinc/01/97/55/520019755.db2.gz YHMMUJCVXGDVFH-ZFWWWQNUSA-N 0 3 364.373 2.531 20 5 FFBDHN CC(C)(CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000591753666 520022202 /nfs/dbraw/zinc/02/22/02/520022202.db2.gz CDRKOBNSFYXVMC-MRXNPFEDSA-N 0 3 370.471 2.553 20 5 FFBDHN CC(C)(CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000591753664 520023515 /nfs/dbraw/zinc/02/35/15/520023515.db2.gz CDRKOBNSFYXVMC-INIZCTEOSA-N 0 3 370.471 2.553 20 5 FFBDHN O=C(NC1CC1)c1ccc(N[C@H]2CCCN3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000594604474 520051028 /nfs/dbraw/zinc/05/10/28/520051028.db2.gz ZORZQZBNOXUCOE-RDJZCZTQSA-N 0 3 358.442 2.916 20 5 FFBDHN COc1cc(CNc2ccc([C@@H]3CNCCO3)cc2)c([N+](=O)[O-])cc1OC ZINC000594739895 520125255 /nfs/dbraw/zinc/12/52/55/520125255.db2.gz RLBKSOIGOYHKES-IBGZPJMESA-N 0 3 373.409 2.885 20 5 FFBDHN O=C(NC[C@H]1CCN1C1CCCCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000600230076 520140308 /nfs/dbraw/zinc/14/03/08/520140308.db2.gz ZBWYDDPDQLPYNF-CQSZACIVSA-N 0 3 357.414 2.608 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCN(C(C)(C)C)C1 ZINC000594790572 520157624 /nfs/dbraw/zinc/15/76/24/520157624.db2.gz NHBWGDCKLUZWNV-CYBMUJFWSA-N 0 3 369.487 2.556 20 5 FFBDHN CC(C)Oc1cc(C(=O)N2CCC[C@@]3(CCN(C)C3)C2)ccc1[N+](=O)[O-] ZINC000597710362 520190488 /nfs/dbraw/zinc/19/04/88/520190488.db2.gz LCZYVACZSIUOFI-IBGZPJMESA-N 0 3 361.442 2.940 20 5 FFBDHN C[S@](=O)[C@H]1CCC[C@@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000594962578 520230476 /nfs/dbraw/zinc/23/04/76/520230476.db2.gz RTXKKJPOROWSJV-SINSKDIDSA-N 0 3 362.398 2.976 20 5 FFBDHN COc1ccc(CNC/C=C\CO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000594974928 520236693 /nfs/dbraw/zinc/23/66/93/520236693.db2.gz NZSLXVUJGYIIFA-IHWYPQMZSA-N 0 3 358.394 2.821 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCCNC(=O)c1occc1C ZINC000595019918 520259024 /nfs/dbraw/zinc/25/90/24/520259024.db2.gz SFEFWCDDXIGKBI-ZDUSSCGKSA-N 0 3 361.398 2.976 20 5 FFBDHN CC(C)[C@H]1CN(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)CCN1 ZINC000592248279 520287651 /nfs/dbraw/zinc/28/76/51/520287651.db2.gz XZOHYKQLNRWBNM-NVXWUHKLSA-N 0 3 374.485 2.901 20 5 FFBDHN COC1CCN(C(C)(C)CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000609346982 520290624 /nfs/dbraw/zinc/29/06/24/520290624.db2.gz CVNFRFAOGICAMD-UHFFFAOYSA-N 0 3 374.441 2.695 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC(C)(C)[C@]1(O)CCCOC1 ZINC000595093493 520291127 /nfs/dbraw/zinc/29/11/27/520291127.db2.gz BMRBVPIDMAXERI-ACJLOTCBSA-N 0 3 352.431 2.822 20 5 FFBDHN CNc1ccc(C(=O)N2CC[C@H](c3cccc(F)c3)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000595224818 520359386 /nfs/dbraw/zinc/35/93/86/520359386.db2.gz HSEWACGHOLMDQO-HZPDHXFCSA-N 0 3 372.400 2.733 20 5 FFBDHN Cc1ccc(C(=O)N2CC[C@H](c3cccc(F)c3)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000595225299 520359585 /nfs/dbraw/zinc/35/95/85/520359585.db2.gz MTWIYXCFJOKMBK-IAGOWNOFSA-N 0 3 357.385 2.999 20 5 FFBDHN CNc1ccc(C(=O)N(Cc2ccco2)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000609583036 520364926 /nfs/dbraw/zinc/36/49/26/520364926.db2.gz JVZVDHYQIRGEOK-UHFFFAOYSA-N 0 3 372.425 2.966 20 5 FFBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000595257947 520377090 /nfs/dbraw/zinc/37/70/90/520377090.db2.gz OXTUYDLZJDNARE-QGZVFWFLSA-N 0 3 373.434 2.987 20 5 FFBDHN O=[N+]([O-])c1cc(CN[C@]2(CO)CCCN(Cc3ccccc3)C2)cs1 ZINC000609620420 520382501 /nfs/dbraw/zinc/38/25/01/520382501.db2.gz KYVRDPDAGYDLPJ-GOSISDBHSA-N 0 3 361.467 2.773 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000598062174 520405428 /nfs/dbraw/zinc/40/54/28/520405428.db2.gz MVXURXPIWGDJNA-UHFFFAOYSA-N 0 3 368.437 2.940 20 5 FFBDHN C[C@H](c1ccccc1)N1CCC(NC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000609696255 520409908 /nfs/dbraw/zinc/40/99/08/520409908.db2.gz VFBIIKBSSFRZFX-CQSZACIVSA-N 0 3 356.426 2.889 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CC[NH+](C)C)C(C)(C)C)cc1C ZINC000609708729 520412238 /nfs/dbraw/zinc/41/22/38/520412238.db2.gz OQJFFFXGBCAZDY-MRXNPFEDSA-N 0 3 371.503 2.856 20 5 FFBDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000604192003 520479064 /nfs/dbraw/zinc/47/90/64/520479064.db2.gz IQQNTGRAGUKRAM-KRWDZBQOSA-N 0 3 370.453 2.686 20 5 FFBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000598265968 520529122 /nfs/dbraw/zinc/52/91/22/520529122.db2.gz XDHVANXHCOEEOV-CYBMUJFWSA-N 0 3 372.425 2.699 20 5 FFBDHN Cc1cc(C(=O)NC[C@@H]2CN(C)C[C@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC000592883467 520635047 /nfs/dbraw/zinc/63/50/47/520635047.db2.gz ZTGORKQEKPPAPT-MJGOQNOKSA-N 0 3 353.422 2.978 20 5 FFBDHN CC[C@@H]1CN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000598531293 520683680 /nfs/dbraw/zinc/68/36/80/520683680.db2.gz IKZHMEDDNCOAOV-JOYOIKCWSA-N 0 3 370.247 2.878 20 5 FFBDHN COC(=O)c1ccnc(N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000598614584 520744686 /nfs/dbraw/zinc/74/46/86/520744686.db2.gz LTOAOYBEIWCOPI-CZUORRHYSA-N 0 3 370.409 2.709 20 5 FFBDHN Cc1cccc(C(=O)N2CC[C@@H](OCCN3CCCCC3)C2)c1[N+](=O)[O-] ZINC000610733149 520820826 /nfs/dbraw/zinc/82/08/26/520820826.db2.gz NIXBFHCAURROTL-MRXNPFEDSA-N 0 3 361.442 2.620 20 5 FFBDHN NC(=O)c1cc(NC[C@@H](c2ccccc2)N2CCCC2)ccc1[N+](=O)[O-] ZINC000596053056 520880022 /nfs/dbraw/zinc/88/00/22/520880022.db2.gz LFVPCGCGPPVVCR-SFHVURJKSA-N 0 3 354.410 2.943 20 5 FFBDHN CC(C)[C@H](O)[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000596065123 520889896 /nfs/dbraw/zinc/88/98/96/520889896.db2.gz DSVWOIZWWXHVSH-UXPWSPDFSA-N 0 3 374.437 2.682 20 5 FFBDHN O=C(NCCCNCc1cccnc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598916559 520915536 /nfs/dbraw/zinc/91/55/36/520915536.db2.gz BCNRQWZHLGXUDS-UHFFFAOYSA-N 0 3 363.805 2.945 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CN[C@H]1CCc3cc(O)ccc3C1)OCCO2 ZINC000618197805 520930508 /nfs/dbraw/zinc/93/05/08/520930508.db2.gz AFQSNBMSWMGQDF-HNNXBMFYSA-N 0 3 356.378 2.719 20 5 FFBDHN COC(=O)c1c(Cl)c(N(C)[C@H]2CCN(C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000596150990 520940618 /nfs/dbraw/zinc/94/06/18/520940618.db2.gz GWDIBOVKSOTSEH-MNOVXSKESA-N 0 3 355.822 2.811 20 5 FFBDHN C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CCN1Cc1ccccc1 ZINC000596236440 520988300 /nfs/dbraw/zinc/98/83/00/520988300.db2.gz VVAVVEVENPRDAN-DYVFJYSZSA-N 0 3 354.410 2.769 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596256891 520998022 /nfs/dbraw/zinc/99/80/22/520998022.db2.gz IDIGMUUTCXQDBQ-HNNXBMFYSA-N 0 3 368.437 2.652 20 5 FFBDHN C[C@@H]1CCCN(CCNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599072942 521015854 /nfs/dbraw/zinc/01/58/54/521015854.db2.gz LVRIDENDNMQZDI-LLVKDONJSA-N 0 3 370.247 2.819 20 5 FFBDHN CN(c1ccccc1)c1ccc(CN[C@H]2C[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000593670150 521142390 /nfs/dbraw/zinc/14/23/90/521142390.db2.gz NDMYIGDVMBYLGB-GASCZTMLSA-N 0 3 354.410 2.716 20 5 FFBDHN COc1cc(N2C[C@H](SC)[C@@H](N3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000614977760 521218581 /nfs/dbraw/zinc/21/85/81/521218581.db2.gz IQMSWEUZMQEYFI-HOCLYGCPSA-N 0 3 355.435 2.759 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])CCN1C ZINC000599576166 521308090 /nfs/dbraw/zinc/30/80/90/521308090.db2.gz KFDHMAMJDJGIBN-UWVGGRQHSA-N 0 3 356.220 2.570 20 5 FFBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000599613539 521332172 /nfs/dbraw/zinc/33/21/72/521332172.db2.gz MEWJBUOGZVKLLW-UHFFFAOYSA-N 0 3 370.409 2.783 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])CN1C1CC1 ZINC000599659914 521372047 /nfs/dbraw/zinc/37/20/47/521372047.db2.gz LSMQKTVMFWJUDU-NXEZZACHSA-N 0 3 368.231 2.712 20 5 FFBDHN COC[C@H](C)N(CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCc2ccccc21 ZINC000599682862 521398188 /nfs/dbraw/zinc/39/81/88/521398188.db2.gz MHUKSMGVPWCPIY-KXBFYZLASA-N 0 3 371.437 2.781 20 5 FFBDHN CSC[C@@](C)(O)CNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602551179 521408634 /nfs/dbraw/zinc/40/86/34/521408634.db2.gz NEUZMKUJTYYMCM-JTQLQIEISA-N 0 3 355.279 2.622 20 5 FFBDHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594198647 521465529 /nfs/dbraw/zinc/46/55/29/521465529.db2.gz UGOKFLHPTHOFOL-HOTGVXAUSA-N 0 3 353.369 2.549 20 5 FFBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594204009 521470206 /nfs/dbraw/zinc/47/02/06/521470206.db2.gz WJHNFRMIFVCGLA-WMZOPIPTSA-N 0 3 356.426 2.683 20 5 FFBDHN CCC(C)(C)N1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000594210662 521475627 /nfs/dbraw/zinc/47/56/27/521475627.db2.gz CBISILPMLPADDZ-UHFFFAOYSA-N 0 3 364.446 2.619 20 5 FFBDHN CN(CCN1CCCCC1)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597091154 521496632 /nfs/dbraw/zinc/49/66/32/521496632.db2.gz WGARORVEXQEHHB-UHFFFAOYSA-N 0 3 355.826 2.780 20 5 FFBDHN C[C@](CO)(NC[C@H]1CCN(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000602732077 521501673 /nfs/dbraw/zinc/50/16/73/521501673.db2.gz NJFJXHFQMQBGHY-OXQOHEQNSA-N 0 3 355.438 2.918 20 5 FFBDHN C[C@@](CO)(NC[C@@H]1CCN(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000602732072 521502735 /nfs/dbraw/zinc/50/27/35/521502735.db2.gz NJFJXHFQMQBGHY-JXFKEZNVSA-N 0 3 355.438 2.918 20 5 FFBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCCN(c2ccncc2)CC1 ZINC000602844313 521566154 /nfs/dbraw/zinc/56/61/54/521566154.db2.gz AECPETVFUXHDHK-HNNXBMFYSA-N 0 3 369.425 2.529 20 5 FFBDHN COCCN1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000619527047 521753220 /nfs/dbraw/zinc/75/32/20/521753220.db2.gz FUPHZHHPJJXARY-MRXNPFEDSA-N 0 3 374.416 2.741 20 5 FFBDHN CN(C(=O)CN1CCN(CC2CCCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000064129441 535989966 /nfs/dbraw/zinc/98/99/66/535989966.db2.gz DIMCDJBVWIOVRH-UHFFFAOYSA-N 0 3 374.485 2.756 20 5 FFBDHN C[C@H]1Oc2ccccc2OC1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000517405936 562089123 /nfs/dbraw/zinc/08/91/23/562089123.db2.gz LBVNWTVZFTUBES-PSLIRLAXSA-N 0 3 354.322 2.638 20 5 FFBDHN C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1cccs1 ZINC000825850788 607448937 /nfs/dbraw/zinc/44/89/37/607448937.db2.gz RXLOSRLYLKFXMK-CYBMUJFWSA-N 0 3 359.415 2.551 20 5 FFBDHN CC(C)C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820092468 607467436 /nfs/dbraw/zinc/46/74/36/607467436.db2.gz MILPFZYPUVMGCH-CYBMUJFWSA-N 0 3 359.434 2.555 20 5 FFBDHN CC(C)C[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820092468 607467438 /nfs/dbraw/zinc/46/74/38/607467438.db2.gz MILPFZYPUVMGCH-CYBMUJFWSA-N 0 3 359.434 2.555 20 5 FFBDHN CC(C)C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820092468 607467440 /nfs/dbraw/zinc/46/74/40/607467440.db2.gz MILPFZYPUVMGCH-CYBMUJFWSA-N 0 3 359.434 2.555 20 5 FFBDHN CC(C)C[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820092468 607467442 /nfs/dbraw/zinc/46/74/42/607467442.db2.gz MILPFZYPUVMGCH-CYBMUJFWSA-N 0 3 359.434 2.555 20 5 FFBDHN COc1cc(CN[C@H](C)C[C@H](O)c2ccco2)c([N+](=O)[O-])cc1OC ZINC000130551882 728719380 /nfs/dbraw/zinc/71/93/80/728719380.db2.gz VRMMITFOOFJLAL-RISCZKNCSA-N 0 3 350.371 2.807 20 5 FFBDHN Cc1ccc(S(=O)(=O)NC2CCN(C(C)(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000856732655 730351624 /nfs/dbraw/zinc/35/16/24/730351624.db2.gz XUESKKVJVNDKGE-UHFFFAOYSA-N 0 3 369.487 2.753 20 5 FFBDHN CN(C)CCN(Cc1ccsc1)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868850739 731338050 /nfs/dbraw/zinc/33/80/50/731338050.db2.gz KDJBWVCIQUHJEK-UHFFFAOYSA-N 0 3 365.430 2.928 20 5 FFBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1CCCS(=O)(=O)C1 ZINC000872071871 731726953 /nfs/dbraw/zinc/72/69/53/731726953.db2.gz YZYPXAFFRXTVCF-NWDGAFQWSA-N 0 3 358.485 2.792 20 5 FFBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000874828666 732104451 /nfs/dbraw/zinc/10/44/51/732104451.db2.gz YDWCAOHAGXAPES-KBPBESRZSA-N 0 3 357.332 2.922 20 5 FFBDHN C[C@@H](Cc1cnccn1)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000876977184 732306062 /nfs/dbraw/zinc/30/60/62/732306062.db2.gz WKCJWCJNCFMFJJ-QMMMGPOBSA-N 0 3 357.233 2.930 20 5 FFBDHN C[C@](CO)(NC[C@H](O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000879270713 732676476 /nfs/dbraw/zinc/67/64/76/732676476.db2.gz AGKKDPZQTSSDGE-DLBZAZTESA-N 0 3 350.802 2.779 20 5 FFBDHN COC1CCN(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000732578423 734750207 /nfs/dbraw/zinc/75/02/07/734750207.db2.gz MJJKWZZDNUBFLV-UHFFFAOYSA-N 0 3 369.849 2.867 20 5 FFBDHN O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000733157928 734794477 /nfs/dbraw/zinc/79/44/77/734794477.db2.gz BAFAIKVWABNSOI-AWEZNQCLSA-N 0 3 367.833 2.621 20 5 FFBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)N1CCCCC1 ZINC000739701205 735057078 /nfs/dbraw/zinc/05/70/78/735057078.db2.gz PZVYLQSGZFZLJA-NSHDSACASA-N 0 3 370.247 2.962 20 5 FFBDHN O=[N+]([O-])c1ccc(NC[C@H]2CCN2C2CCOCC2)c(OC(F)F)c1 ZINC000896522029 735172366 /nfs/dbraw/zinc/17/23/66/735172366.db2.gz MYESOGNDOLVHAK-CYBMUJFWSA-N 0 3 357.357 2.861 20 5 FFBDHN CCC[C@@H](N)c1cn(Cc2cc([N+](=O)[O-])ccc2Br)nn1 ZINC000900595647 735666360 /nfs/dbraw/zinc/66/63/60/735666360.db2.gz JKVVXLLYBHHBHQ-GFCCVEGCSA-N 0 3 354.208 2.797 20 5 FFBDHN C[C@@]1(NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CN2CCC1CC2 ZINC000912375165 737297626 /nfs/dbraw/zinc/29/76/26/737297626.db2.gz TTXXHQCZGNWZLF-QGZVFWFLSA-N 0 3 351.834 2.781 20 5 FFBDHN C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768812703 737461058 /nfs/dbraw/zinc/46/10/58/737461058.db2.gz LXKUSKDSEHSWNR-UPJWGTAASA-N 0 3 373.500 2.682 20 5 FFBDHN CS(=O)(=O)c1ccccc1CCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000922680958 738184053 /nfs/dbraw/zinc/18/40/53/738184053.db2.gz VRROUAVWTZSLKA-UHFFFAOYSA-N 0 3 368.842 2.984 20 5 FFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)C[C@H]1C ZINC000778009117 738342006 /nfs/dbraw/zinc/34/20/06/738342006.db2.gz KTLWDFOOYKDJJA-CHWSQXEVSA-N 0 3 373.450 2.536 20 5 FFBDHN C[C@@H](CO)N(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCC1 ZINC000788466197 739247702 /nfs/dbraw/zinc/24/77/02/739247702.db2.gz GRPIKIHOEXFZBD-NSHDSACASA-N 0 3 355.822 2.812 20 5 FFBDHN CN(C)Cc1ccc(S(=O)(=O)Oc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000790018056 739407184 /nfs/dbraw/zinc/40/71/84/739407184.db2.gz CLCPUSZTQBSBLT-UHFFFAOYSA-N 0 3 354.359 2.563 20 5 FFBDHN CN(C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccc(Cl)cc1 ZINC000802381149 740699353 /nfs/dbraw/zinc/69/93/53/740699353.db2.gz HDPNYWVLEDHRBK-MRXNPFEDSA-N 0 3 362.817 2.863 20 5 FFBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000811502537 741530590 /nfs/dbraw/zinc/53/05/90/741530590.db2.gz XEJRNFMNUDHIIQ-SFHVURJKSA-N 0 3 351.422 2.808 20 5 FFBDHN CC(COC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1)[N+](=O)[O-] ZINC000813106454 741677567 /nfs/dbraw/zinc/67/75/67/741677567.db2.gz CKISERXSDYKJBD-OCCSQVGLSA-N 0 3 352.387 2.851 20 5 FFBDHN CC(COC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1)[N+](=O)[O-] ZINC000813110602 741678450 /nfs/dbraw/zinc/67/84/50/741678450.db2.gz FGVFDLFZAUQGDH-NSHDSACASA-N 0 3 358.379 2.818 20 5 FFBDHN O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)NC1CCN([C@H]2CCOC2)CC1 ZINC000820826806 742555881 /nfs/dbraw/zinc/55/58/81/742555881.db2.gz ICEVQAPOZOOBRQ-ZDUSSCGKSA-N 0 3 368.821 2.623 20 5 FFBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@H]1CCCCN1CCO ZINC000824583199 743111272 /nfs/dbraw/zinc/11/12/72/743111272.db2.gz JHYDRLALDSZZLS-CYBMUJFWSA-N 0 3 362.257 2.838 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C[C@H]1N(C)C ZINC000827425998 743573899 /nfs/dbraw/zinc/57/38/99/743573899.db2.gz NYDFWCMZEISIDA-ZIAGYGMSSA-N 0 3 357.863 2.674 20 5 FFBDHN CC(C)OCCOC1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000832494636 745707808 /nfs/dbraw/zinc/70/78/08/745707808.db2.gz RWQQYNCJTGGVTJ-GOSISDBHSA-N 0 3 352.431 2.534 20 5 FFBDHN CCCN(C)CC(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000839864101 746946466 /nfs/dbraw/zinc/94/64/66/746946466.db2.gz NLEDZLRIGWQMMX-CYBMUJFWSA-N 0 3 351.300 2.795 20 5 FFBDHN CC(COC(=O)c1nn(-c2ccc(Cl)c(F)c2)c2c1CCC2)[N+](=O)[O-] ZINC000842801256 747692739 /nfs/dbraw/zinc/69/27/39/747692739.db2.gz DKVYFAKCCSZLIF-VIFPVBQESA-N 0 3 367.764 2.976 20 5 FFBDHN CS[C@H]1CN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000843854286 747912294 /nfs/dbraw/zinc/91/22/94/747912294.db2.gz KDRHLSGTGLYAJW-GJZGRUSLSA-N 0 3 367.446 2.694 20 5 FFBDHN COc1ccc([C@H](NC(C)C)C(=O)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000895757676 970919994 /nfs/dbraw/zinc/91/99/94/970919994.db2.gz VPQHUYDGUUDBMF-SFHVURJKSA-N 0 3 357.410 2.959 20 5 FFBDHN COC(=O)C[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000896472142 971500484 /nfs/dbraw/zinc/50/04/84/971500484.db2.gz JRZXDDYRHTYNON-UKRRQHHQSA-N 0 3 372.425 2.626 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000134940052 960548367 /nfs/dbraw/zinc/54/83/67/960548367.db2.gz FTDYDGGAQKIUSB-YJBOKZPZSA-N 0 3 353.422 2.917 20 5 FFBDHN COC(=O)COc1ccc(CNC[C@H]2CCCC(C)(C)O2)cc1[N+](=O)[O-] ZINC000898049020 982588596 /nfs/dbraw/zinc/58/85/96/982588596.db2.gz UQFOBXSJDQTVGP-CQSZACIVSA-N 0 3 366.414 2.584 20 5 FFBDHN CCOc1cc(N2CCN(CC3(O)CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000796465422 1015086142 /nfs/dbraw/zinc/08/61/42/1015086142.db2.gz NHWQKLCPHUTFBG-UHFFFAOYSA-N 0 3 363.458 2.811 20 5 FFBDHN CC(C)(C)OC(=O)NC[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000170647133 985104425 /nfs/dbraw/zinc/10/44/25/985104425.db2.gz MBGQBJJRALNNRH-CQSZACIVSA-N 0 3 365.430 2.820 20 5 FFBDHN C/C(=C/C(=O)N1CCN(C2CCOCC2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000785437976 985320530 /nfs/dbraw/zinc/32/05/30/985320530.db2.gz ACWOCUIEIIFOKC-UGEDRFTOSA-N 0 3 373.453 2.710 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000323971228 986388893 /nfs/dbraw/zinc/38/88/93/986388893.db2.gz CBLAKALVQIYVEF-HNNXBMFYSA-N 0 3 368.437 2.771 20 5 FFBDHN COc1ccc(CN(C)C)cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000914844940 987959875 /nfs/dbraw/zinc/95/98/75/987959875.db2.gz BEXKZCWFQGKPSS-UHFFFAOYSA-N 0 3 374.353 2.826 20 5 FFBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCC2(C3(O)CCOCC3)CC2)c1 ZINC000922597681 988743128 /nfs/dbraw/zinc/74/31/28/988743128.db2.gz VMLZVOXJGOPQJH-UHFFFAOYSA-N 0 3 372.368 2.608 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3C[C@@H](O)C34CCOCC4)o2)cc1 ZINC000923022033 990793798 /nfs/dbraw/zinc/79/37/98/990793798.db2.gz VYZAPHBBFBLKFG-ZWKOTPCHSA-N 0 3 358.394 2.874 20 5 FFBDHN CN(C)c1cccnc1CNC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000810247793 994742867 /nfs/dbraw/zinc/74/28/67/994742867.db2.gz PVQNEMGSCPDHGS-UHFFFAOYSA-N 0 3 355.442 2.814 20 5 FFBDHN CC(COC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])[N+](=O)[O-] ZINC000813103087 995614903 /nfs/dbraw/zinc/61/49/03/995614903.db2.gz NIJDGLBOBCCTKB-GFCCVEGCSA-N 0 3 360.322 2.996 20 5 FFBDHN CN(C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000823979791 996771310 /nfs/dbraw/zinc/77/13/10/996771310.db2.gz CTIGBVHIVGVKJX-INIZCTEOSA-N 0 3 369.425 2.915 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000824827938 997118560 /nfs/dbraw/zinc/11/85/60/997118560.db2.gz JUAUQOQEVCDOIO-UONOGXRCSA-N 0 3 371.359 2.746 20 5 FFBDHN CN(C)[C@H]1Cc2ccccc2N(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000844382191 997869130 /nfs/dbraw/zinc/86/91/30/997869130.db2.gz BDMVSCFEKPSLEJ-INIZCTEOSA-N 0 3 357.385 2.796 20 5 FFBDHN CC(C)CN1C[C@H](C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])CC1=O ZINC000845877462 998678016 /nfs/dbraw/zinc/67/80/16/998678016.db2.gz RXWXLVQIJOJMEW-AHIWAGSCSA-N 0 3 366.389 2.580 20 5 FFBDHN COC(=O)c1ccc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])n1C ZINC000845883017 998678462 /nfs/dbraw/zinc/67/84/62/998678462.db2.gz QWEXRIWZRVDYGY-BONVTDFDSA-N 0 3 364.329 2.514 20 5 FFBDHN CC(C)(C)OC(=O)N1CC2(C1)CCCCN2[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011392 1000015649 /nfs/dbraw/zinc/01/56/49/1000015649.db2.gz KDAJAMMPHBZCJR-GJZGRUSLSA-N 0 3 353.463 2.907 20 5 FFBDHN C/C(=C\C(=O)N1CCN(C2CCOCC2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000785814311 1001487848 /nfs/dbraw/zinc/48/78/48/1001487848.db2.gz ACWOCUIEIIFOKC-MDJJKAFGSA-N 0 3 373.453 2.710 20 5 FFBDHN COc1c(O)ccc(CNCC[C@@H]2COc3ccccc3O2)c1[N+](=O)[O-] ZINC001182435087 1001867661 /nfs/dbraw/zinc/86/76/61/1001867661.db2.gz SWHQBLQFJXAONC-CYBMUJFWSA-N 0 3 360.366 2.629 20 5 FFBDHN COc1c([O-])ccc(C[NH2+]CC[C@@H]2COc3ccccc3O2)c1[N+](=O)[O-] ZINC001182435087 1001867671 /nfs/dbraw/zinc/86/76/71/1001867671.db2.gz SWHQBLQFJXAONC-CYBMUJFWSA-N 0 3 360.366 2.629 20 5 FFBDHN CCN(CC)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC001185290034 1002902014 /nfs/dbraw/zinc/90/20/14/1002902014.db2.gz DEVHOXYKJCGWCT-UHFFFAOYSA-N 0 3 370.400 2.523 20 5 FFBDHN COc1ccc(C[C@H](C)NC2CN(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170294844 1003088826 /nfs/dbraw/zinc/08/88/26/1003088826.db2.gz DIAMJFPXBBKTME-LBPRGKRZSA-N 0 3 365.430 2.743 20 5 FFBDHN COc1ccc(C[C@@H](C)NCC(=O)N(C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001170297703 1003092031 /nfs/dbraw/zinc/09/20/31/1003092031.db2.gz QTDRACVGAZATAH-OAHLLOKOSA-N 0 3 371.437 2.783 20 5 FFBDHN COc1ccc(C[C@H](C)N(C)CCNC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170329755 1003115858 /nfs/dbraw/zinc/11/58/58/1003115858.db2.gz TWBJSLPLYGXOLT-ZDUSSCGKSA-N 0 3 367.446 2.991 20 5 FFBDHN Cc1noc(CN2CCCN(Cc3ccccc3)CCOCC2)c1[N+](=O)[O-] ZINC001198141263 1004494132 /nfs/dbraw/zinc/49/41/32/1004494132.db2.gz XVHMLQTXWYQUHV-UHFFFAOYSA-N 0 3 374.441 2.616 20 5 FFBDHN COCC[C@@H](CNCc1cccc([N+](=O)[O-])c1C)NC(=O)OC(C)(C)C ZINC001201989534 1005297523 /nfs/dbraw/zinc/29/75/23/1005297523.db2.gz PIRDYLDIUXZVDO-HNNXBMFYSA-N 0 3 367.446 2.923 20 5 FFBDHN O=C(CCN1CCC2(CCCC2=O)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000852631148 1006115297 /nfs/dbraw/zinc/11/52/97/1006115297.db2.gz LJGFTMVAOGLYLK-UHFFFAOYSA-N 0 3 363.389 2.898 20 5 FFBDHN COc1cnccc1N1CCN(c2cccc([N+](=O)[O-])c2C(C)=O)CC1 ZINC000882292182 1006346178 /nfs/dbraw/zinc/34/61/78/1006346178.db2.gz IRZPAPRENVFJJQ-UHFFFAOYSA-N 0 3 356.382 2.528 20 5 FFBDHN C[C@@H](NC[C@H](O)COc1ccc(F)c(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815577300 1006693777 /nfs/dbraw/zinc/69/37/77/1006693777.db2.gz MFMRYSXTQUHTOG-PWSUYJOCSA-N 0 3 367.352 2.546 20 5 FFBDHN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H]3CN(C)C[C@H]32)CC1 ZINC000816952851 1007274096 /nfs/dbraw/zinc/27/40/96/1007274096.db2.gz SVZIEHXBSJQYPX-DNVCBOLYSA-N 0 3 372.469 2.607 20 5 FFBDHN CCN1CCN(CCCNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000858463010 1008364671 /nfs/dbraw/zinc/36/46/71/1008364671.db2.gz SJBJWUXYOBZKKC-UHFFFAOYSA-N 0 3 370.453 2.505 20 5 FFBDHN COCCCn1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cn1 ZINC000860854663 1009176937 /nfs/dbraw/zinc/17/69/37/1009176937.db2.gz FRRJFIGCBJGTQP-WBMJQRKESA-N 0 3 365.361 2.622 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823962327 1009281858 /nfs/dbraw/zinc/28/18/58/1009281858.db2.gz RLVWQKSMMFTGQX-GUYCJALGSA-N 0 3 369.425 2.819 20 5 FFBDHN O=[N+]([O-])c1cc(CN[C@@H]2CCc3ccccc3OC2)c2c(c1)COCO2 ZINC000509445896 1009517491 /nfs/dbraw/zinc/51/74/91/1009517491.db2.gz FFCPBNPRCQPFEL-MRXNPFEDSA-N 0 3 356.378 2.945 20 5 FFBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2cccc3c2OCCO3)n1 ZINC000774244595 1010541247 /nfs/dbraw/zinc/54/12/47/1010541247.db2.gz QLJXEHYFPAWXSG-CABCVRRESA-N 0 3 358.398 2.836 20 5 FFBDHN COc1cccc([C@@H](CNc2cc(F)c([N+](=O)[O-])cc2CO)N(C)C)c1 ZINC000865407383 1010776247 /nfs/dbraw/zinc/77/62/47/1010776247.db2.gz HKTVOIIXRFUFCM-GOSISDBHSA-N 0 3 363.389 2.950 20 5 FFBDHN CC(C)c1[n-]nc(C(=O)OCC[N@H+](C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000796251343 1011516245 /nfs/dbraw/zinc/51/62/45/1011516245.db2.gz QGCVUUJJQDDUCV-UHFFFAOYSA-N 0 3 364.377 2.869 20 5 FFBDHN CC(C)c1[n-]nc(C(=O)OCC[N@@H+](C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000796251343 1011516259 /nfs/dbraw/zinc/51/62/59/1011516259.db2.gz QGCVUUJJQDDUCV-UHFFFAOYSA-N 0 3 364.377 2.869 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCCc3ccc(CN)nc32)c1F ZINC001173191577 1012333160 /nfs/dbraw/zinc/33/31/60/1012333160.db2.gz MUSDFMBGWNJLLY-GFCCVEGCSA-N 0 3 374.416 2.980 20 5 FFBDHN COCCn1ncc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c1C ZINC000870455311 1012390775 /nfs/dbraw/zinc/39/07/75/1012390775.db2.gz WXSAVNQYOXOAED-LRDDRELGSA-N 0 3 365.361 2.540 20 5 FFBDHN Cn1nc(C(F)(F)F)cc1CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000926926535 1018295068 /nfs/dbraw/zinc/29/50/68/1018295068.db2.gz BGDPQBUNROJBIE-NEPJUHHUSA-N 0 3 372.351 2.817 20 5 FFBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000681992616 1018662050 /nfs/dbraw/zinc/66/20/50/1018662050.db2.gz OUCFQFNHDBBBPI-MRXNPFEDSA-N 0 3 361.445 2.895 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCc2ccccc2OC1 ZINC000801575853 1019133680 /nfs/dbraw/zinc/13/36/80/1019133680.db2.gz MDCNWQFRCVNJFE-OAHLLOKOSA-N 0 3 355.394 2.825 20 5 FFBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801836641 1019433431 /nfs/dbraw/zinc/43/34/31/1019433431.db2.gz POWUJVISLNVLMR-GXTWGEPZSA-N 0 3 372.400 2.881 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CN1Cc1ccccc1 ZINC000801921039 1019512931 /nfs/dbraw/zinc/51/29/31/1019512931.db2.gz WONIHUNTUVTPNN-TZMCWYRMSA-N 0 3 372.400 2.709 20 5 FFBDHN CC(C)N(Cc1ccc(OCC(N)=O)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000725796716 1020260938 /nfs/dbraw/zinc/26/09/38/1020260938.db2.gz PFNADUFSVPKMPT-UHFFFAOYSA-N 0 3 357.410 2.870 20 5 FFBDHN O=[N+]([O-])c1c2c(cc(Br)c1O[C@@H]1CCNC[C@H]1F)CCC2 ZINC001218071409 1032979535 /nfs/dbraw/zinc/97/95/35/1032979535.db2.gz PIDLFENLDMDATB-VXGBXAGGSA-N 0 3 359.195 2.925 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CO[C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001223107328 1033291244 /nfs/dbraw/zinc/29/12/44/1033291244.db2.gz KHDLWUCGTVWITF-JCNLHEQBSA-N 0 3 350.415 2.763 20 5 FFBDHN COC(=O)c1cc(C(=O)OC[C@@H]2CCCCN2C(C)C)cc([N+](=O)[O-])c1 ZINC000837342875 1025734253 /nfs/dbraw/zinc/73/42/53/1025734253.db2.gz CBJIKTHIMXYQGR-HNNXBMFYSA-N 0 3 364.398 2.801 20 5 FFBDHN CCCc1[n-]nc(C(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000837700489 1025971177 /nfs/dbraw/zinc/97/11/77/1025971177.db2.gz UZRZTKBPJQPKQN-AWEZNQCLSA-N 0 3 358.398 2.702 20 5 FFBDHN CCCc1[n-]nc(C(=O)O[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000837700489 1025971180 /nfs/dbraw/zinc/97/11/80/1025971180.db2.gz UZRZTKBPJQPKQN-AWEZNQCLSA-N 0 3 358.398 2.702 20 5 FFBDHN O=[N+]([O-])c1cc(CO)c(NC[C@@H]2CCCC[C@@H]2N2CCOCC2)cc1F ZINC001164146557 1029184827 /nfs/dbraw/zinc/18/48/27/1029184827.db2.gz WLLQHQJIXMSCCS-GUYCJALGSA-N 0 3 367.421 2.529 20 5 FFBDHN COc1nc(C)c([N+](=O)[O-])c(NC[C@@H](c2ccccc2)N2CCCC2)n1 ZINC001156529871 1029233871 /nfs/dbraw/zinc/23/38/71/1029233871.db2.gz HIWXKOURVBATMP-HNNXBMFYSA-N 0 3 357.414 2.951 20 5 FFBDHN O=c1[n-]ccc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000695455158 1029890280 /nfs/dbraw/zinc/89/02/80/1029890280.db2.gz MOGFGFGDUZUJFU-JKSUJKDBSA-N 0 3 354.410 2.654 20 5 FFBDHN O=c1[n-]ccc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000695455158 1029890292 /nfs/dbraw/zinc/89/02/92/1029890292.db2.gz MOGFGFGDUZUJFU-JKSUJKDBSA-N 0 3 354.410 2.654 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2ncn(CN3CCC[C@H]3[C@@H]3CCCOC3)n2)c1 ZINC000842616429 1030826576 /nfs/dbraw/zinc/82/65/76/1030826576.db2.gz ORMKIKGISRKJBW-WBVHZDCISA-N 0 3 357.414 2.702 20 5 FFBDHN CCN(CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)c1cccc(OC)c1 ZINC000797552452 1031150618 /nfs/dbraw/zinc/15/06/18/1031150618.db2.gz CMBRPMQOLGWSGK-SFHVURJKSA-N 0 3 374.441 2.755 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1CO[C@H]1CC[C@@H](N2CCOCC2)CC1 ZINC001223945332 1033653750 /nfs/dbraw/zinc/65/37/50/1033653750.db2.gz DUYQVFMFGRPKCC-WOVMCDHWSA-N 0 3 350.415 2.763 20 5 FFBDHN C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc([O-])cc(/C=C/c2ccc(O)cc2)c1 ZINC001225793453 1034407982 /nfs/dbraw/zinc/40/79/82/1034407982.db2.gz RNTHIKWBGXZJCV-VZSQWMKGSA-O 0 3 372.441 2.631 20 5 FFBDHN CC(C)N1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C2 ZINC001228660608 1036239057 /nfs/dbraw/zinc/23/90/57/1036239057.db2.gz HZRHFUUCQDEXLF-WDNDVIMCSA-N 0 3 368.455 2.781 20 5 FFBDHN CC(=O)Nc1ccc(C(C)=O)c(O[C@H]2C[C@H]3CC[C@@H](C2)N3C)c1[N+](=O)[O-] ZINC001234682848 1037139114 /nfs/dbraw/zinc/13/91/14/1037139114.db2.gz XNCKHQXKVVQMNG-WDNDVIMCSA-N 0 3 361.398 2.760 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCC(N3CC(N4CCC(F)CC4)C3)CC2)cc1 ZINC001254479726 1040744546 /nfs/dbraw/zinc/74/45/46/1040744546.db2.gz JJNZMXCKKSFLLA-UHFFFAOYSA-N 0 3 362.449 2.682 20 5 FFBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1ccnc(OC2CCOCC2)n1 ZINC001254549615 1040792441 /nfs/dbraw/zinc/79/24/41/1040792441.db2.gz UQDBNJHDBMOJGW-CQSZACIVSA-N 0 3 372.425 2.663 20 5 FFBDHN Cc1ccnc(OC2CCN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)n1 ZINC001254605705 1040834567 /nfs/dbraw/zinc/83/45/67/1040834567.db2.gz CTKIZBCQUBNFCP-KRWDZBQOSA-N 0 3 354.410 2.704 20 5 FFBDHN CC(COC(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O)[N+](=O)[O-] ZINC001263502302 1042346036 /nfs/dbraw/zinc/34/60/36/1042346036.db2.gz PIFSBNSLKJBFSI-CXAGYDPISA-N 0 3 354.362 2.592 20 5 FFBDHN COC(=O)C1(CCCC[NH2+]Cc2ccc([O-])c(OC)c2[N+](=O)[O-])CCC1 ZINC001474738722 1045133156 /nfs/dbraw/zinc/13/31/56/1045133156.db2.gz XYLBWRCFIQMEER-UHFFFAOYSA-N 0 3 366.414 2.912 20 5 FFBDHN COc1cccc2cc(CNC[C@H](O)COc3ccccc3[N+](=O)[O-])oc21 ZINC001326600321 1046996106 /nfs/dbraw/zinc/99/61/06/1046996106.db2.gz VPTLOOFTLPLQCX-AWEZNQCLSA-N 0 3 372.377 2.879 20 5 FFBDHN CCC1(N2CCC2)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC001333465109 1048917562 /nfs/dbraw/zinc/91/75/62/1048917562.db2.gz TWUNGPQFTIYOEF-UHFFFAOYSA-N 0 3 367.471 2.542 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC001331096761 1049469825 /nfs/dbraw/zinc/46/98/25/1049469825.db2.gz BKJAQVNYJQKZKO-SFHVURJKSA-N 0 3 369.425 2.548 20 5 FFBDHN COC(=O)[C@@H]1CCC[C@H]1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001342050253 1050649249 /nfs/dbraw/zinc/64/92/49/1050649249.db2.gz AEWAVRLBUQAQNM-IRUJWGPZSA-N 0 3 369.805 2.507 20 5 FFBDHN O=C(Nc1ccc2c(c1)OCCNC2)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001340843149 1051181533 /nfs/dbraw/zinc/18/15/33/1051181533.db2.gz JZXXIHOMWQPNJS-SJORKVTESA-N 0 3 353.378 2.819 20 5 FFBDHN CC(=O)NC1CCC(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])CC1 ZINC001345232858 1052333004 /nfs/dbraw/zinc/33/30/04/1052333004.db2.gz JLVWYGGAGZBZQI-PKNZVCHQSA-N 0 3 366.389 2.770 20 5 FFBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CC[C@H]2[C@H]1CCCN2CCO ZINC001308140007 1052415253 /nfs/dbraw/zinc/41/52/53/1052415253.db2.gz IXTRLTFLSGXLDB-CABCVRRESA-N 0 3 374.268 2.933 20 5 FFBDHN Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000847253514 1055320836 /nfs/dbraw/zinc/32/08/36/1055320836.db2.gz GUJLENLJUISXIK-KBPBESRZSA-N 0 3 362.386 2.558 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H](O)CNC[C@](O)(c2ccccc2)C(F)(F)F)cc1 ZINC001356586689 1055597888 /nfs/dbraw/zinc/59/78/88/1055597888.db2.gz VWPZGMIANISAOH-HOTGVXAUSA-N 0 3 370.327 2.668 20 5 FFBDHN CCC(CC)Nc1ccncc1NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000848108198 1059009507 /nfs/dbraw/zinc/00/95/07/1059009507.db2.gz FRELOUFDVGEZHT-KRWDZBQOSA-N 0 3 358.398 2.684 20 5 FFBDHN CN(CCc1nccc(C(F)(F)F)n1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001355083153 1059871257 /nfs/dbraw/zinc/87/12/57/1059871257.db2.gz DCIAMDXCJGFKCB-ZDUSSCGKSA-N 0 3 370.331 2.612 20 5 FFBDHN C[C@H]1CC2(CN1CN1CC[C@H](c3ccc([N+](=O)[O-])cc3)C1=O)CCOCC2 ZINC000848489098 1060143012 /nfs/dbraw/zinc/14/30/12/1060143012.db2.gz JCZROMWSYNDSHK-MAUKXSAKSA-N 0 3 373.453 2.759 20 5 FFBDHN O=C(NC[C@@H]1NCCc2ccccc21)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001521540949 1060949813 /nfs/dbraw/zinc/94/98/13/1060949813.db2.gz OEQYXNJAIWSOPD-QRVBRYPASA-N 0 3 351.406 2.702 20 5 FFBDHN O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1[n-]nc([N+](=O)[O-])c1Cl ZINC001440676289 1063335058 /nfs/dbraw/zinc/33/50/58/1063335058.db2.gz MTTGWDCQYAYHCJ-SECBINFHSA-N 0 3 369.834 2.600 20 5 FFBDHN O=C(NC/C=C/CNCc1c(Cl)oc2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC001497582502 1063728732 /nfs/dbraw/zinc/72/87/32/1063728732.db2.gz DVYRFOAMJSCBIG-YTRGCGJWSA-N 0 3 363.801 2.513 20 5 FFBDHN Nc1c(Cl)cc(C(=O)NC[C@@H]2CCCCN2C2CC2)cc1[N+](=O)[O-] ZINC001467805778 1063858499 /nfs/dbraw/zinc/85/84/99/1063858499.db2.gz RLIPGOSYKDVCSW-LBPRGKRZSA-N 0 3 352.822 2.577 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](c2cncn2C(C)(C)C)C1 ZINC001473896399 1065411087 /nfs/dbraw/zinc/41/10/87/1065411087.db2.gz CLRUBLVNMLXSDX-HNNXBMFYSA-N 0 3 360.462 2.931 20 5 FFBDHN CCOC(=O)[C@]1(CNCc2ccc([N+](=O)[O-])c(Cl)c2)CCCOC1 ZINC001474652879 1065571995 /nfs/dbraw/zinc/57/19/95/1065571995.db2.gz VIIJQHKRXZGZHZ-INIZCTEOSA-N 0 3 356.806 2.698 20 5 FFBDHN CCCN1CCCC[C@@H]1C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001558316374 1075978777 /nfs/dbraw/zinc/97/87/77/1075978777.db2.gz XFAXTOXKZQSKQB-QGZVFWFLSA-N 0 3 373.457 2.784 20 5 FFBDHN CC[C@]1(C)CCCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001559563253 1076173465 /nfs/dbraw/zinc/17/34/65/1076173465.db2.gz RUDXKBUFUOHHLV-HXUWFJFHSA-N 0 3 374.485 2.756 20 5 FFBDHN Cc1cccc(CN2CCO[C@H](CNCc3cccc([N+](=O)[O-])c3)C2)c1 ZINC001560561633 1076280053 /nfs/dbraw/zinc/28/00/53/1076280053.db2.gz UTJVEBVIVKIOEX-HXUWFJFHSA-N 0 3 355.438 2.894 20 5 FFBDHN CCOc1cc(N2CCN(C[C@@](C)(OC)C3CC3)CC2)ccc1[N+](=O)[O-] ZINC001560801694 1076301012 /nfs/dbraw/zinc/30/10/12/1076301012.db2.gz WPSISVJEAHVRHS-LJQANCHMSA-N 0 3 363.458 2.931 20 5 FFBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@H]1CCCCN1CCO ZINC001560841076 1076303310 /nfs/dbraw/zinc/30/33/10/1076303310.db2.gz IHSRIFZVUXUXHX-CQSZACIVSA-N 0 3 361.364 2.550 20 5 FFBDHN CCN(CC)C[C@@H](C)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1C ZINC001561474435 1076381541 /nfs/dbraw/zinc/38/15/41/1076381541.db2.gz FDTPHNJUEMLOCN-LLVKDONJSA-N 0 3 363.867 2.565 20 5 FFBDHN C[C@@H]1C[C@@H](C)C[NH+](CCCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001590189954 1081079889 /nfs/dbraw/zinc/07/98/89/1081079889.db2.gz YAGNRZJZGSDGTN-CHWSQXEVSA-N 0 3 359.434 2.555 20 5 FFBDHN C[C@@H]1C[C@@H](C)C[NH+](CCCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001590189954 1081079892 /nfs/dbraw/zinc/07/98/92/1081079892.db2.gz YAGNRZJZGSDGTN-CHWSQXEVSA-N 0 3 359.434 2.555 20 5 FFBDHN C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590226600 1081107459 /nfs/dbraw/zinc/10/74/59/1081107459.db2.gz DMHWNHPAEUULGD-UMVBOHGHSA-N 0 3 371.445 2.617 20 5 FFBDHN C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590226600 1081107462 /nfs/dbraw/zinc/10/74/62/1081107462.db2.gz DMHWNHPAEUULGD-UMVBOHGHSA-N 0 3 371.445 2.617 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(Cc1ccncc1)C1CC1 ZINC000093222155 250024373 /nfs/dbraw/zinc/02/43/73/250024373.db2.gz KJTCAXQEXVKGDE-UHFFFAOYSA-N 0 3 370.409 2.992 20 5 FFBDHN Cc1ccc2[nH]c([C@H]3CCCN(CCn4cc([N+](=O)[O-])cn4)C3)nc2c1 ZINC000181141422 251245969 /nfs/dbraw/zinc/24/59/69/251245969.db2.gz BONVUXFTVZULTM-AWEZNQCLSA-N 0 3 354.414 2.856 20 5 FFBDHN Cc1ccc2nc([C@H]3CCCN(CCn4cc([N+](=O)[O-])cn4)C3)[nH]c2c1 ZINC000181141422 251245973 /nfs/dbraw/zinc/24/59/73/251245973.db2.gz BONVUXFTVZULTM-AWEZNQCLSA-N 0 3 354.414 2.856 20 5 FFBDHN O=[N+]([O-])c1cc(Br)ccc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000267413133 251349306 /nfs/dbraw/zinc/34/93/06/251349306.db2.gz SAOMRRBGCKGOEA-LBPRGKRZSA-N 0 3 370.247 2.516 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](CCO)c1ccccc1 ZINC000271846286 251892706 /nfs/dbraw/zinc/89/27/06/251892706.db2.gz ZECCEZIFJGIENV-MRXNPFEDSA-N 0 3 373.409 2.645 20 5 FFBDHN COc1cc(CNCC2(O)CCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272438249 252038624 /nfs/dbraw/zinc/03/86/24/252038624.db2.gz OFDUBQGDAOIRPB-UHFFFAOYSA-N 0 3 360.357 2.642 20 5 FFBDHN C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000272860075 252149867 /nfs/dbraw/zinc/14/98/67/252149867.db2.gz IFDQXQWILVDYAR-SNVBAGLBSA-N 0 3 357.332 2.994 20 5 FFBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000273212512 252253245 /nfs/dbraw/zinc/25/32/45/252253245.db2.gz BVBZPKILAKPGKX-LLVKDONJSA-N 0 3 371.384 2.999 20 5 FFBDHN C[C@@H](CSC(C)(C)C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273419822 252303331 /nfs/dbraw/zinc/30/33/31/252303331.db2.gz JCXDACIFDRCURP-LBPRGKRZSA-N 0 3 360.501 2.878 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000277381739 256191948 /nfs/dbraw/zinc/19/19/48/256191948.db2.gz WJJUKNHJBWLWDU-SKDRFNHKSA-N 0 3 368.231 2.570 20 5 FFBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000278373167 256305237 /nfs/dbraw/zinc/30/52/37/256305237.db2.gz RURJZDISMAOKHV-CYBMUJFWSA-N 0 3 369.849 2.787 20 5 FFBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000278569909 256326481 /nfs/dbraw/zinc/32/64/81/256326481.db2.gz XEFBOBNBIPATSI-QJPKHSJYSA-N 0 3 373.453 2.710 20 5 FFBDHN CC(C)c1n[nH]c(C(=O)N[C@H](CN(C)C)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000287963093 257133961 /nfs/dbraw/zinc/13/39/61/257133961.db2.gz AMIIJTCFAFFLDN-CYBMUJFWSA-N 0 3 363.393 2.613 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000289314385 257274149 /nfs/dbraw/zinc/27/41/49/257274149.db2.gz BOBCUFSHKZFGLX-ICSRJNTNSA-N 0 3 368.437 2.877 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000302395383 258100725 /nfs/dbraw/zinc/10/07/25/258100725.db2.gz CSVGAVZXFDJVFO-HXUWFJFHSA-N 0 3 355.438 2.976 20 5 FFBDHN O=[N+]([O-])c1cnc2ccc(N[C@H]3CCCN(Cc4ccccc4)C3)nn21 ZINC000301946207 258077457 /nfs/dbraw/zinc/07/74/57/258077457.db2.gz XKAOWWFQOFCMFT-HNNXBMFYSA-N 0 3 352.398 2.714 20 5 FFBDHN O=C1C[C@H](c2ccccc2)N(CCCOc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000052836996 506259812 /nfs/dbraw/zinc/25/98/12/506259812.db2.gz NBUVUKUYEZADMQ-LJQANCHMSA-N 0 3 369.421 2.927 20 5 FFBDHN COc1cc2c(cc1OC)CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000366744047 512167974 /nfs/dbraw/zinc/16/79/74/512167974.db2.gz OIOXOQMIRVYMDJ-SFHVURJKSA-N 0 3 372.421 2.746 20 5 FFBDHN C[C@@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000367433951 512496120 /nfs/dbraw/zinc/49/61/20/512496120.db2.gz BZNBPLFLHGEUIS-UKRRQHHQSA-N 0 3 352.866 2.710 20 5 FFBDHN C[C@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000367433949 512496514 /nfs/dbraw/zinc/49/65/14/512496514.db2.gz BZNBPLFLHGEUIS-DZGCQCFKSA-N 0 3 352.866 2.710 20 5 FFBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000065939483 506399466 /nfs/dbraw/zinc/39/94/66/506399466.db2.gz OQBWNNIWELYXFJ-UHFFFAOYSA-N 0 3 351.403 2.999 20 5 FFBDHN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@@H](N2CCCC2)C1 ZINC000066160245 506433466 /nfs/dbraw/zinc/43/34/66/506433466.db2.gz DEDYEGVYYXLGCA-GFCCVEGCSA-N 0 3 370.356 2.898 20 5 FFBDHN C[C@@H]1CN(C[C@@H]2CCCN2CCOc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000066377699 506501077 /nfs/dbraw/zinc/50/10/77/506501077.db2.gz JXEBVYCAEYMYPY-NUJGCVRESA-N 0 3 363.458 2.547 20 5 FFBDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000054644068 506594134 /nfs/dbraw/zinc/59/41/34/506594134.db2.gz WKRMZQVYNFQWDO-GOSISDBHSA-N 0 3 370.453 2.609 20 5 FFBDHN CN(C)[C@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000011595251 506783905 /nfs/dbraw/zinc/78/39/05/506783905.db2.gz FCMORHULQWFBFD-GOSISDBHSA-N 0 3 356.426 2.816 20 5 FFBDHN CN(C)CCN(Cc1ccccc1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000068311184 507181352 /nfs/dbraw/zinc/18/13/52/507181352.db2.gz SYSXZKKUYBJJJM-UHFFFAOYSA-N 0 3 367.409 2.675 20 5 FFBDHN O=C(CCN1CC[C@@H](c2nc(C3CC3)no2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000375435097 512325681 /nfs/dbraw/zinc/32/56/81/512325681.db2.gz WXWIWAJAHLQZAE-CYBMUJFWSA-N 0 3 371.397 2.673 20 5 FFBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3ccncc3)CC2)c1 ZINC000024087447 507391535 /nfs/dbraw/zinc/39/15/35/507391535.db2.gz ZVZVGCPZIULQBW-UHFFFAOYSA-N 0 3 358.423 2.674 20 5 FFBDHN CCc1ccc([C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)N(C)C)cc1 ZINC000048313123 507499406 /nfs/dbraw/zinc/49/94/06/507499406.db2.gz OKYGPVDBSXKPPQ-QGZVFWFLSA-N 0 3 374.416 2.911 20 5 FFBDHN CCOC(=O)C1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000026161691 507563188 /nfs/dbraw/zinc/56/31/88/507563188.db2.gz ZKKBUWSGVWCJFY-UHFFFAOYSA-N 0 3 363.414 2.507 20 5 FFBDHN O=c1[nH]cnc2cc(N3CCN(CC4CCCCC4)CC3)c([N+](=O)[O-])cc21 ZINC000064129200 507785766 /nfs/dbraw/zinc/78/57/66/507785766.db2.gz HJBCSSMJVDMYQE-UHFFFAOYSA-N 0 3 371.441 2.534 20 5 FFBDHN Cc1cc(NC(=O)C2CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000052403278 507807970 /nfs/dbraw/zinc/80/79/70/507807970.db2.gz JFICTUZFCMFBAN-UHFFFAOYSA-N 0 3 374.397 2.621 20 5 FFBDHN Cc1cc(NC(=O)C2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000052403313 507808198 /nfs/dbraw/zinc/80/81/98/507808198.db2.gz RPCCCRPARXAKHP-UHFFFAOYSA-N 0 3 358.398 2.784 20 5 FFBDHN Cc1c(C(=O)NCC2(N3CCSCC3)CCCC2)cccc1[N+](=O)[O-] ZINC000031960370 507822516 /nfs/dbraw/zinc/82/25/16/507822516.db2.gz XFHJVYMDXNEEMP-UHFFFAOYSA-N 0 3 363.483 2.995 20 5 FFBDHN CC[C@@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCS1 ZINC000072861824 507865696 /nfs/dbraw/zinc/86/56/96/507865696.db2.gz GSZDWZXFFVFREV-CYBMUJFWSA-N 0 3 351.428 2.720 20 5 FFBDHN CN1CCC[C@@H](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000108340220 507888333 /nfs/dbraw/zinc/88/83/33/507888333.db2.gz ZKHITWLDVKQRJE-INIZCTEOSA-N 0 3 363.461 2.613 20 5 FFBDHN CCC[C@@H](N[C@H]1CCc2nc(COC)nn2C1)c1cccc([N+](=O)[O-])c1 ZINC000090393702 507917148 /nfs/dbraw/zinc/91/71/48/507917148.db2.gz OKKVWFNDSLHZGO-GOEBONIOSA-N 0 3 359.430 2.779 20 5 FFBDHN CC(C)CN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CCN(C)CC1 ZINC000074139566 507992201 /nfs/dbraw/zinc/99/22/01/507992201.db2.gz ZVKRMSTXNQXMRU-UHFFFAOYSA-N 0 3 359.430 2.664 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCCC[NH+]2CCCCC2)c(F)c1 ZINC000111357512 508093181 /nfs/dbraw/zinc/09/31/81/508093181.db2.gz GLBIJVVUJSFXBU-UHFFFAOYSA-N 0 3 373.450 2.668 20 5 FFBDHN CC(C)(C)C(=O)NC[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000112699516 508210584 /nfs/dbraw/zinc/21/05/84/508210584.db2.gz VOPWXPWCNBFZJQ-OAHLLOKOSA-N 0 3 363.458 2.848 20 5 FFBDHN CCOC(=O)c1ccnc(N2CCCC[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000077965553 508394921 /nfs/dbraw/zinc/39/49/21/508394921.db2.gz CGPJVQQFGMXIQJ-CQSZACIVSA-N 0 3 362.430 2.621 20 5 FFBDHN CCN1CCC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000152294445 508417243 /nfs/dbraw/zinc/41/72/43/508417243.db2.gz NAFBEPGKHCLLOZ-GFCCVEGCSA-N 0 3 370.247 2.500 20 5 FFBDHN CCC(CC)[C@@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])N(C)C ZINC000121827486 508426905 /nfs/dbraw/zinc/42/69/05/508426905.db2.gz YWKGWAJCOOPCNO-CQSZACIVSA-N 0 3 357.476 2.777 20 5 FFBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CCN1C ZINC000127658345 508482601 /nfs/dbraw/zinc/48/26/01/508482601.db2.gz MNHINQYJDLCRGJ-CABCVRRESA-N 0 3 360.458 2.750 20 5 FFBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@](C)(O)c1cccs1 ZINC000156941666 508500479 /nfs/dbraw/zinc/50/04/79/508500479.db2.gz SVKUUGSFLKRJLM-YVEFUNNKSA-N 0 3 363.439 2.871 20 5 FFBDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000122245874 508505995 /nfs/dbraw/zinc/50/59/95/508505995.db2.gz AJQMBPVHKUXYCM-SFHVURJKSA-N 0 3 370.453 2.609 20 5 FFBDHN CC(C)[C@@H](C)NC(=O)C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000134207868 508508189 /nfs/dbraw/zinc/50/81/89/508508189.db2.gz RMRKRFATMYEEEB-OAHLLOKOSA-N 0 3 363.458 2.846 20 5 FFBDHN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCN(CC2CC2)C1 ZINC000116756599 508554892 /nfs/dbraw/zinc/55/48/92/508554892.db2.gz RDSGSWQWOVSSBX-AWEZNQCLSA-N 0 3 367.833 2.618 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)cc1SC ZINC000123207318 508652049 /nfs/dbraw/zinc/65/20/49/508652049.db2.gz SLUFCUOHQUGOLZ-RYUDHWBXSA-N 0 3 367.471 2.880 20 5 FFBDHN C[C@@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000119221005 508750893 /nfs/dbraw/zinc/75/08/93/508750893.db2.gz YXMVTFZVOQHWMA-INIZCTEOSA-N 0 3 370.453 2.957 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CN1C1CC1 ZINC000123897485 508754919 /nfs/dbraw/zinc/75/49/19/508754919.db2.gz WUGIBFBYAQTXEI-SKDRFNHKSA-N 0 3 368.231 2.712 20 5 FFBDHN Cc1cc(NCCC(=O)NCc2ccccn2)c2cc([N+](=O)[O-])ccc2n1 ZINC000129766092 508764076 /nfs/dbraw/zinc/76/40/76/508764076.db2.gz GVUUEFPFCMAORA-UHFFFAOYSA-N 0 3 365.393 2.965 20 5 FFBDHN COc1ccc(-c2ccc(CN[C@H]3CCC(=O)N(C)C3)o2)c([N+](=O)[O-])c1 ZINC000119916013 508889816 /nfs/dbraw/zinc/88/98/16/508889816.db2.gz SANVSFPUSHGBNR-LBPRGKRZSA-N 0 3 359.382 2.574 20 5 FFBDHN O=c1ccc([N+](=O)[O-])cn1CCN(CCCO)[C@H]1CCCc2ccccc21 ZINC000159871062 508904082 /nfs/dbraw/zinc/90/40/82/508904082.db2.gz FEHFGWSFOGTRTO-IBGZPJMESA-N 0 3 371.437 2.519 20 5 FFBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@](C)(O)c1ccsc1 ZINC000159973859 508919155 /nfs/dbraw/zinc/91/91/55/508919155.db2.gz NLVJFBAYZYXBDS-PXAZEXFGSA-N 0 3 363.439 2.871 20 5 FFBDHN CCOc1ccc(C(=O)N[C@H](Cc2ccccc2)CN(C)C)cc1[N+](=O)[O-] ZINC000155314540 508974748 /nfs/dbraw/zinc/97/47/48/508974748.db2.gz IXBDLMPGKZLBMI-QGZVFWFLSA-N 0 3 371.437 2.896 20 5 FFBDHN C[C@@]1(CNc2ncc([N+](=O)[O-])cc2C(N)=O)CCCN1Cc1ccccc1 ZINC000160795149 509034239 /nfs/dbraw/zinc/03/42/39/509034239.db2.gz ITSUQWHOMYRWGE-IBGZPJMESA-N 0 3 369.425 2.555 20 5 FFBDHN CC(C)N(CCN(C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000152019481 509130733 /nfs/dbraw/zinc/13/07/33/509130733.db2.gz WCRDFQYFCAFALZ-UHFFFAOYSA-N 0 3 372.263 2.698 20 5 FFBDHN CN(CCN1CCCC1)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000121184438 509146734 /nfs/dbraw/zinc/14/67/34/509146734.db2.gz YQPVLNBIPXEJTR-UHFFFAOYSA-N 0 3 356.220 2.525 20 5 FFBDHN O=C(NC1CCN(C2CC2)CC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000161862113 509159386 /nfs/dbraw/zinc/15/93/86/509159386.db2.gz QFEZHAGZPNPMLD-UHFFFAOYSA-N 0 3 368.231 2.714 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3CCOC3)CC2)c(C(F)(F)F)c1 ZINC000263885670 509207383 /nfs/dbraw/zinc/20/73/83/509207383.db2.gz PHIVOHYKXMLFCP-LBPRGKRZSA-N 0 3 359.348 2.772 20 5 FFBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NCCCN1CCc2ccccc2C1 ZINC000172769938 509225653 /nfs/dbraw/zinc/22/56/53/509225653.db2.gz WGMNHIWOOZQWEK-UHFFFAOYSA-N 0 3 353.422 2.702 20 5 FFBDHN CC(C)(O)CN(Cc1ccccc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182472032 509255273 /nfs/dbraw/zinc/25/52/73/509255273.db2.gz XNPHGFBUTCIZJK-KRWDZBQOSA-N 0 3 374.437 2.608 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCC(CN3CCOCC3)CC2)cc1OC(F)F ZINC000267194754 509388574 /nfs/dbraw/zinc/38/85/74/509388574.db2.gz ICZJRLMPNAVWNV-UHFFFAOYSA-N 0 3 371.384 2.745 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000229973446 509431258 /nfs/dbraw/zinc/43/12/58/509431258.db2.gz JODBIPFOZHJHBQ-CHWSQXEVSA-N 0 3 350.419 2.845 20 5 FFBDHN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCN1C1CCOCC1 ZINC000186022210 509483914 /nfs/dbraw/zinc/48/39/14/509483914.db2.gz YVWNJXHRFSWXRH-MRXNPFEDSA-N 0 3 367.833 2.508 20 5 FFBDHN Cc1nn(CCC(=O)NC[C@H](N)c2ccc(C(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000236715322 509489841 /nfs/dbraw/zinc/48/98/41/509489841.db2.gz PKNAXQCFLOIJBM-KRWDZBQOSA-N 0 3 373.457 2.738 20 5 FFBDHN CCN1CCC(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000267495842 509515849 /nfs/dbraw/zinc/51/58/49/509515849.db2.gz QDHWHLDGJRFKAL-UHFFFAOYSA-N 0 3 356.220 2.571 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCC[C@@H]2c2cc3ccccc3[nH]2)c1 ZINC000173353223 509549345 /nfs/dbraw/zinc/54/93/45/509549345.db2.gz LILSXLFDWVYFNM-QFBILLFUSA-N 0 3 369.425 2.861 20 5 FFBDHN CNC(=O)c1ccc(NCC2CCN(c3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000180042449 509722513 /nfs/dbraw/zinc/72/25/13/509722513.db2.gz ITKZWUHXTPHRIO-UHFFFAOYSA-N 0 3 369.425 2.678 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000268183532 509800792 /nfs/dbraw/zinc/80/07/92/509800792.db2.gz LXOGJEQWMGNUEF-ZANVPECISA-N 0 3 357.332 2.826 20 5 FFBDHN C[C@H]1CCCN(CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000176987502 509801866 /nfs/dbraw/zinc/80/18/66/509801866.db2.gz BCMXWLFMFANMPG-NSHDSACASA-N 0 3 370.247 2.819 20 5 FFBDHN N[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000238039908 509807134 /nfs/dbraw/zinc/80/71/34/509807134.db2.gz HLGQUKUIXSDXGE-INIZCTEOSA-N 0 3 354.410 2.625 20 5 FFBDHN O=C(NC[C@@H]1CCN(C2CC2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177011080 509816793 /nfs/dbraw/zinc/81/67/93/509816793.db2.gz AMFUSPSGNCNLQE-JTQLQIEISA-N 0 3 368.231 2.571 20 5 FFBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000189936275 509838157 /nfs/dbraw/zinc/83/81/57/509838157.db2.gz STSHOZNOURCABY-HNNXBMFYSA-N 0 3 365.474 2.659 20 5 FFBDHN C[C@@H](NCCC(=O)NC(=O)NCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180394266 509900851 /nfs/dbraw/zinc/90/08/51/509900851.db2.gz SIXTYTOAVFFSOI-CQSZACIVSA-N 0 3 370.409 2.662 20 5 FFBDHN O=C(CN1CCNC[C@H]1c1cccc(Cl)c1)Nc1ccccc1[N+](=O)[O-] ZINC000261713589 510036295 /nfs/dbraw/zinc/03/62/95/510036295.db2.gz MTHKDLYTRWJJLR-KRWDZBQOSA-N 0 3 374.828 2.833 20 5 FFBDHN O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000193766316 510058538 /nfs/dbraw/zinc/05/85/38/510058538.db2.gz XRXKHKNBSYWOIO-HNNXBMFYSA-N 0 3 357.385 2.986 20 5 FFBDHN CCOC(=O)c1csc(CCNCc2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000190346369 510076903 /nfs/dbraw/zinc/07/69/03/510076903.db2.gz QQIHDEHRIZPFOB-UHFFFAOYSA-N 0 3 365.411 2.569 20 5 FFBDHN O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000193813045 510083398 /nfs/dbraw/zinc/08/33/98/510083398.db2.gz XKJVGNGSELAXNC-HNNXBMFYSA-N 0 3 357.385 2.986 20 5 FFBDHN Cn1cc(CN2CC[C@@H]3OCCC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000245747718 510123924 /nfs/dbraw/zinc/12/39/24/510123924.db2.gz NEXZDZKYNBWMQE-YJBOKZPZSA-N 0 3 356.426 2.996 20 5 FFBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000245873998 510181699 /nfs/dbraw/zinc/18/16/99/510181699.db2.gz AIGUOKOHBCUSGD-GXFFZTMASA-N 0 3 357.357 2.608 20 5 FFBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000245882411 510185264 /nfs/dbraw/zinc/18/52/64/510185264.db2.gz IITARBGUGPMJJC-BBRMVZONSA-N 0 3 354.410 2.699 20 5 FFBDHN COc1ccc(-c2ccncc2)cc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000187308725 510185538 /nfs/dbraw/zinc/18/55/38/510185538.db2.gz KBKSIQXOSATSRD-UHFFFAOYSA-N 0 3 353.382 2.652 20 5 FFBDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000171547010 510220042 /nfs/dbraw/zinc/22/00/42/510220042.db2.gz YCAJFFDSJOAFLV-OAHLLOKOSA-N 0 3 371.441 2.824 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H]2Cc2ccccc2Cl)c1 ZINC000174749396 510289808 /nfs/dbraw/zinc/28/98/08/510289808.db2.gz FHTFXGAUYDKNHJ-HOCLYGCPSA-N 0 3 364.833 2.513 20 5 FFBDHN COc1cc(C(=O)NC[C@@H](c2ccccc2)N(C)C)cc([N+](=O)[O-])c1OC ZINC000265986782 510341135 /nfs/dbraw/zinc/34/11/35/510341135.db2.gz LAYVFFRBYLCADS-INIZCTEOSA-N 0 3 373.409 2.645 20 5 FFBDHN O=[N+]([O-])c1cnn(CCN2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c1 ZINC000174855114 510346464 /nfs/dbraw/zinc/34/64/64/510346464.db2.gz IWFDTKMGYBUFKP-KRWDZBQOSA-N 0 3 364.833 2.890 20 5 FFBDHN Cc1ccsc1[C@H](C)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000178000386 510368143 /nfs/dbraw/zinc/36/81/43/510368143.db2.gz ROXZQWASXHQCJP-LBPRGKRZSA-N 0 3 369.468 2.594 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H](CO)c1ccccc1 ZINC000269628914 510489992 /nfs/dbraw/zinc/48/99/92/510489992.db2.gz VUFUXKIEGJUEAN-SFHVURJKSA-N 0 3 357.410 2.897 20 5 FFBDHN CCC[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000181682804 510537261 /nfs/dbraw/zinc/53/72/61/510537261.db2.gz MTPYENGVQAPQQU-CJNGLKHVSA-N 0 3 354.357 2.561 20 5 FFBDHN COc1ccc([C@@H]2CCCCCN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000246801945 510681921 /nfs/dbraw/zinc/68/19/21/510681921.db2.gz VNMKFJPFVAOCNP-MJGOQNOKSA-N 0 3 374.441 2.778 20 5 FFBDHN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(-n2ccnn2)cc1 ZINC000182006646 510704665 /nfs/dbraw/zinc/70/46/65/510704665.db2.gz HDSKDMWELCELAH-CQSZACIVSA-N 0 3 353.382 2.905 20 5 FFBDHN CCc1[nH]nc(C(=O)Nc2ccccc2NC2CCN(C)CC2)c1[N+](=O)[O-] ZINC000188366666 510730955 /nfs/dbraw/zinc/73/09/55/510730955.db2.gz FRWHZXFHHBRTEG-UHFFFAOYSA-N 0 3 372.429 2.639 20 5 FFBDHN CN(C(=O)c1cc([N+](=O)[O-])ccc1N)C1CCN(Cc2ccccc2)CC1 ZINC000191648142 510771067 /nfs/dbraw/zinc/77/10/67/510771067.db2.gz KQPRGNSRVPINPI-UHFFFAOYSA-N 0 3 368.437 2.914 20 5 FFBDHN CCSc1ccc([C@@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000182136684 510775352 /nfs/dbraw/zinc/77/53/52/510775352.db2.gz JJUBGLNZXDQLBJ-DOMZBBRYSA-N 0 3 350.444 2.615 20 5 FFBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)n1 ZINC000191713475 510798396 /nfs/dbraw/zinc/79/83/96/510798396.db2.gz ASFHUHMEGYNCQG-MRXNPFEDSA-N 0 3 373.457 2.698 20 5 FFBDHN CCc1ccc([C@@H]2C[C@@H](C)CCN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000247531746 510864750 /nfs/dbraw/zinc/86/47/50/510864750.db2.gz OGSLSUSBVGTMMU-LXZKKBNFSA-N 0 3 362.430 2.781 20 5 FFBDHN O=C1Nc2ccccc2[C@]12CCN(CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000364452918 510874323 /nfs/dbraw/zinc/87/43/23/510874323.db2.gz XPWZHBZQRDAQFE-LJQANCHMSA-N 0 3 353.378 2.569 20 5 FFBDHN Cn1nccc1[C@@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000360306199 510895719 /nfs/dbraw/zinc/89/57/19/510895719.db2.gz SWLRGOVHKKUYKE-CQSZACIVSA-N 0 3 357.414 2.537 20 5 FFBDHN CN1CC[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@H]1c1ccccc1 ZINC000270607713 510922681 /nfs/dbraw/zinc/92/26/81/510922681.db2.gz DWFFNIBEBHYFFG-QFBILLFUSA-N 0 3 373.384 2.674 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000361035445 510983864 /nfs/dbraw/zinc/98/38/64/510983864.db2.gz ZQBGNAVEJWZFSK-AUUYWEPGSA-N 0 3 368.437 2.939 20 5 FFBDHN Cc1c(C(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000270845058 511002748 /nfs/dbraw/zinc/00/27/48/511002748.db2.gz FTWHVPQLJLNPDI-UHFFFAOYSA-N 0 3 374.485 2.534 20 5 FFBDHN CN(C)Cc1cccc(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000294389176 511048369 /nfs/dbraw/zinc/04/83/69/511048369.db2.gz KABCZSDWQXCGES-UHFFFAOYSA-N 0 3 369.421 2.936 20 5 FFBDHN O=C(CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1)NCC1CCCCC1 ZINC000365509126 511493497 /nfs/dbraw/zinc/49/34/97/511493497.db2.gz IIBTZZRJNYZMIM-UHFFFAOYSA-N 0 3 363.462 2.515 20 5 FFBDHN CC(C)[C@H](CNc1nccc2cc([N+](=O)[O-])ccc21)N1CCN(C)CC1 ZINC000296489012 511764813 /nfs/dbraw/zinc/76/48/13/511764813.db2.gz KZCJAFMJONCLQL-SFHVURJKSA-N 0 3 357.458 2.827 20 5 FFBDHN COc1ccc(OCCN2CCSC3(CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000274517046 511861012 /nfs/dbraw/zinc/86/10/12/511861012.db2.gz MNPHGFGWSWKOMX-UHFFFAOYSA-N 0 3 368.455 2.580 20 5 FFBDHN C[C@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000293159653 511863640 /nfs/dbraw/zinc/86/36/40/511863640.db2.gz CHKIPYUIBVXCPY-OAHLLOKOSA-N 0 3 360.458 2.653 20 5 FFBDHN C[C@@H](NCC(=O)NC[C@H](c1ccccc1)N(C)C)c1ccccc1[N+](=O)[O-] ZINC000274667529 511903732 /nfs/dbraw/zinc/90/37/32/511903732.db2.gz RPADCHPPUMGIPO-DNVCBOLYSA-N 0 3 370.453 2.665 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCO[C@@H](C(C)C)C1 ZINC000293336678 511929112 /nfs/dbraw/zinc/92/91/12/511929112.db2.gz YMCNZIDTIDEJKZ-QGZVFWFLSA-N 0 3 365.430 2.679 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCN2CCC(c3nnc4n3CCCC4)CC2)cc1 ZINC000275040470 512023329 /nfs/dbraw/zinc/02/33/29/512023329.db2.gz XUVZYBMJLAQQPQ-UHFFFAOYSA-N 0 3 371.441 2.781 20 5 FFBDHN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NC1CCN(C2CCC2)CC1 ZINC000297227160 512067660 /nfs/dbraw/zinc/06/76/60/512067660.db2.gz RDYCUVQOKADOPR-UHFFFAOYSA-N 0 3 359.426 2.691 20 5 FFBDHN O=C(NC1CCN(C2CCC2)CC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000297241276 512073471 /nfs/dbraw/zinc/07/34/71/512073471.db2.gz SJTIDFQZIUPREN-UHFFFAOYSA-N 0 3 369.425 2.527 20 5 FFBDHN C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000373811851 512518175 /nfs/dbraw/zinc/51/81/75/512518175.db2.gz GGXKNUOBTARGRJ-TZTCFGBESA-N 0 3 353.806 2.732 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000369708255 512565244 /nfs/dbraw/zinc/56/52/44/512565244.db2.gz AQFLDBIPRADGPC-INIZCTEOSA-N 0 3 354.410 2.645 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](Oc2ccncc2)C1 ZINC000367862068 512694012 /nfs/dbraw/zinc/69/40/12/512694012.db2.gz GAMFGJHQTPRDTC-QGZVFWFLSA-N 0 3 370.409 2.780 20 5 FFBDHN C[C@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000370446384 512939348 /nfs/dbraw/zinc/93/93/48/512939348.db2.gz CYYYSMVSIASOJN-YJBOKZPZSA-N 0 3 369.469 2.605 20 5 FFBDHN C[C@]1(CNC(=O)c2cccc([N+](=O)[O-])c2N)CCCN1Cc1ccccc1 ZINC000397919618 512950246 /nfs/dbraw/zinc/95/02/46/512950246.db2.gz PCRURJYWWQGKBI-HXUWFJFHSA-N 0 3 368.437 2.962 20 5 FFBDHN C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000408217945 513023732 /nfs/dbraw/zinc/02/37/32/513023732.db2.gz GOKMZJJVMQWLQY-FMKPAKJESA-N 0 3 367.471 2.621 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@@H]2N(C)CCCC2(C)C)c1F ZINC000412299952 513029212 /nfs/dbraw/zinc/02/92/12/513029212.db2.gz HTOJCYNREKGXAT-HNNXBMFYSA-N 0 3 367.421 2.522 20 5 FFBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000412371749 513056769 /nfs/dbraw/zinc/05/67/69/513056769.db2.gz YQOCRIFTQOZLOO-HLULTAIVSA-N 0 3 357.454 2.887 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H](c2ccccc2)[C@@H]2CCOC2)c1 ZINC000374983166 513097096 /nfs/dbraw/zinc/09/70/96/513097096.db2.gz CEVVSUGWECPMJR-POAQFYNOSA-N 0 3 372.421 2.702 20 5 FFBDHN CC(C)c1ccc(C(=O)NC[C@H](O)CN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000439500929 513128944 /nfs/dbraw/zinc/12/89/44/513128944.db2.gz CCZBMXTZFDWLRD-INIZCTEOSA-N 0 3 363.458 2.541 20 5 FFBDHN O=C(NC[C@@H]1CCCCN1C1CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000433957460 513198181 /nfs/dbraw/zinc/19/81/81/513198181.db2.gz AVCVCZUFTGMHLM-SFHVURJKSA-N 0 3 358.442 2.679 20 5 FFBDHN C[C@H](CN1CCCCCC1)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450743233 513322416 /nfs/dbraw/zinc/32/24/16/513322416.db2.gz GGUUUUVGFZTXFZ-OAHLLOKOSA-N 0 3 371.441 2.775 20 5 FFBDHN CC(C)(C)CC(=O)N1CCC(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000446825880 513345940 /nfs/dbraw/zinc/34/59/40/513345940.db2.gz FHQLHAJSXBQNEF-UHFFFAOYSA-N 0 3 373.457 2.988 20 5 FFBDHN CN1CCN(CCNc2ccc(Br)cc2[N+](=O)[O-])CC1(C)C ZINC000440647638 513370570 /nfs/dbraw/zinc/37/05/70/513370570.db2.gz HXQXBXUPEKOKMB-UHFFFAOYSA-N 0 3 371.279 2.795 20 5 FFBDHN CN(C)CCOC1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413129745 513469253 /nfs/dbraw/zinc/46/92/53/513469253.db2.gz BVMUZNRSVNMAAL-UHFFFAOYSA-N 0 3 362.352 2.556 20 5 FFBDHN CCc1ccccc1[C@H](N)CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418644848 513590710 /nfs/dbraw/zinc/59/07/10/513590710.db2.gz CQWUZMAGSSHZGC-LJQANCHMSA-N 0 3 368.437 2.925 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416136775 513591105 /nfs/dbraw/zinc/59/11/05/513591105.db2.gz UNIOJYNEHUAQJY-KRWDZBQOSA-N 0 3 357.410 2.913 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](C1CCOCC1)C1(CO)CCC1 ZINC000425532324 513623818 /nfs/dbraw/zinc/62/38/18/513623818.db2.gz BNCYNOHYZGLFDA-GOSISDBHSA-N 0 3 364.442 2.651 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)nn1C1CCN(C)CC1 ZINC000430439172 513654247 /nfs/dbraw/zinc/65/42/47/513654247.db2.gz OHTARWGOMVNXOK-UHFFFAOYSA-N 0 3 373.413 2.627 20 5 FFBDHN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCC3(N(C)C)CC3)cc2[N+](=O)[O-])C1 ZINC000416292008 513692643 /nfs/dbraw/zinc/69/26/43/513692643.db2.gz PYPYUMKMIKPFGS-GASCZTMLSA-N 0 3 374.485 2.901 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@@H]3[C@@H]3CCC[C@H]3O)o2)cc1 ZINC000451413367 513733723 /nfs/dbraw/zinc/73/37/23/513733723.db2.gz GYWMJTHVVZRYPU-ARFHVFGLSA-N 0 3 358.398 2.770 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000451489072 513783350 /nfs/dbraw/zinc/78/33/50/513783350.db2.gz BSAXARBALMMEPW-JKSUJKDBSA-N 0 3 365.430 2.724 20 5 FFBDHN CO[C@@H]1[C@@H](C)[C@@H](NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000451499104 513790594 /nfs/dbraw/zinc/79/05/94/513790594.db2.gz LMZCWCFTWHJHDR-TZTCFGBESA-N 0 3 355.822 2.836 20 5 FFBDHN CN(C)[C@H]1CCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436320382 513826515 /nfs/dbraw/zinc/82/65/15/513826515.db2.gz SZRCBJQRVFELQJ-LBPRGKRZSA-N 0 3 371.387 2.736 20 5 FFBDHN O=c1cc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nc2ccccn12 ZINC000451554059 513830493 /nfs/dbraw/zinc/83/04/93/513830493.db2.gz YWUWKWYRMLQBNM-MRXNPFEDSA-N 0 3 364.405 2.982 20 5 FFBDHN CN(C)[C@]1(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCSC1 ZINC000436396592 513845613 /nfs/dbraw/zinc/84/56/13/513845613.db2.gz ZTLZCHMGSXYCBM-LBPRGKRZSA-N 0 3 350.366 2.858 20 5 FFBDHN CN(C[C@H]1CCN(C)C1)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436426710 513852060 /nfs/dbraw/zinc/85/20/60/513852060.db2.gz XXBOSNMGUVYIPU-ZDUSSCGKSA-N 0 3 367.424 2.844 20 5 FFBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448934726 513979624 /nfs/dbraw/zinc/97/96/24/513979624.db2.gz WTXJZFZBESZQPJ-HUUCEWRRSA-N 0 3 361.442 2.937 20 5 FFBDHN CN1CCC[C@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000451860372 514026817 /nfs/dbraw/zinc/02/68/17/514026817.db2.gz DPLXGRGUSHFTOG-APWZRJJASA-N 0 3 371.437 2.895 20 5 FFBDHN CN1CCC[C@@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000451860374 514027027 /nfs/dbraw/zinc/02/70/27/514027027.db2.gz DPLXGRGUSHFTOG-QFBILLFUSA-N 0 3 371.437 2.895 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C(C)(C)CCC[NH+](C)C)cc1C ZINC000451894498 514050985 /nfs/dbraw/zinc/05/09/85/514050985.db2.gz RTEVGTIKJYVEBW-UHFFFAOYSA-N 0 3 357.476 2.610 20 5 FFBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H](Cc1ccccc1)C(=O)N(C)C ZINC000449121171 514080026 /nfs/dbraw/zinc/08/00/26/514080026.db2.gz GHYYQLUAWMQHNZ-CRAIPNDOSA-N 0 3 355.438 2.815 20 5 FFBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCCN(c2cccnc2)C1=O ZINC000449238210 514127224 /nfs/dbraw/zinc/12/72/24/514127224.db2.gz FQJUXRREQOIODC-YOEHRIQHSA-N 0 3 354.410 2.706 20 5 FFBDHN Cc1ccc(S(=O)(=O)[N-][C@H](CCC[NH3+])c2ccccc2)c([N+](=O)[O-])c1 ZINC000420469963 514162084 /nfs/dbraw/zinc/16/20/84/514162084.db2.gz WKDICURWQYZMRY-OAHLLOKOSA-N 0 3 363.439 2.662 20 5 FFBDHN NC(=O)c1cccc([N+](=O)[O-])c1NC1CCN(Cc2ccccc2)CC1 ZINC000420591503 514194663 /nfs/dbraw/zinc/19/46/63/514194663.db2.gz VXHGPDNIUDOFIB-UHFFFAOYSA-N 0 3 354.410 2.770 20 5 FFBDHN Cc1ccc([C@@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc2)cc1 ZINC000437647250 514202648 /nfs/dbraw/zinc/20/26/48/514202648.db2.gz RHBOJPVNKVFLQE-PMACEKPBSA-N 0 3 366.421 2.840 20 5 FFBDHN CS(=O)(=O)C1(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000417329939 514298084 /nfs/dbraw/zinc/29/80/84/514298084.db2.gz KJZGRLDWLAWGEY-INIZCTEOSA-N 0 3 352.456 2.919 20 5 FFBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000424011192 514338342 /nfs/dbraw/zinc/33/83/42/514338342.db2.gz MOCRSYCPQJEOQL-LSDHHAIUSA-N 0 3 373.384 2.700 20 5 FFBDHN CCOc1ccc(C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000424039963 514354307 /nfs/dbraw/zinc/35/43/07/514354307.db2.gz PVPZPAVBSBOGDB-GOEBONIOSA-N 0 3 373.384 2.700 20 5 FFBDHN C[C@@H]1OCC[C@]1(O)CNCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000433174817 514405525 /nfs/dbraw/zinc/40/55/25/514405525.db2.gz MBEWFRKSIHKZEV-YWZLYKJASA-N 0 3 371.437 2.992 20 5 FFBDHN Cc1cc(NC(=O)CNc2ccccc2[N+](=O)[O-])ccc1OCCN(C)C ZINC000458186968 514611330 /nfs/dbraw/zinc/61/13/30/514611330.db2.gz ASIMQMIZXOSBIQ-UHFFFAOYSA-N 0 3 372.425 2.894 20 5 FFBDHN COC(=O)CC1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000497728624 514612177 /nfs/dbraw/zinc/61/21/77/514612177.db2.gz XKIVIBLQCKUURL-UHFFFAOYSA-N 0 3 363.414 2.507 20 5 FFBDHN CC[C@H](NC(=O)NC[C@]1(N(C)C)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000489503322 514874979 /nfs/dbraw/zinc/87/49/79/514874979.db2.gz XZQZQZHMWYSSIE-DOTOQJQBSA-N 0 3 366.487 2.782 20 5 FFBDHN CN(C)CCOC1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000476195340 514944795 /nfs/dbraw/zinc/94/47/95/514944795.db2.gz QEDHGGWYFNQEJY-UHFFFAOYSA-N 0 3 359.373 2.743 20 5 FFBDHN CC(C)N1CC[C@H](N(C)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000458645591 514984843 /nfs/dbraw/zinc/98/48/43/514984843.db2.gz XPLOMMGFAGOTSG-HNNXBMFYSA-N 0 3 368.865 2.915 20 5 FFBDHN CC(C)N(CCN(C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C(C)C ZINC000503278575 514989318 /nfs/dbraw/zinc/98/93/18/514989318.db2.gz DNMCMTBJBGUQOT-UHFFFAOYSA-N 0 3 357.476 2.553 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC(C)(C)CN2CCCC2)c1C ZINC000480756270 515071253 /nfs/dbraw/zinc/07/12/53/515071253.db2.gz JCOVNNSHZAODAG-UHFFFAOYSA-N 0 3 369.487 2.612 20 5 FFBDHN CCOc1cc(N2CCN(c3ccncc3OC)CC2)ccc1[N+](=O)[O-] ZINC000481056647 515190521 /nfs/dbraw/zinc/19/05/21/515190521.db2.gz JLEXJIHUDXHCMJ-UHFFFAOYSA-N 0 3 358.398 2.724 20 5 FFBDHN C[C@@H](NCCc1ccccc1[N+](=O)[O-])c1cccc(NS(C)(=O)=O)c1 ZINC000468008170 515195187 /nfs/dbraw/zinc/19/51/87/515195187.db2.gz ZWRMWGNBFCOBFK-CYBMUJFWSA-N 0 3 363.439 2.860 20 5 FFBDHN CCc1n[nH]c(C(=O)N2CCN(C(C)(C)CC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000456692600 515356933 /nfs/dbraw/zinc/35/69/33/515356933.db2.gz LXOOKTGALYNVDU-UHFFFAOYSA-N 0 3 365.478 2.853 20 5 FFBDHN CCc1[nH]nc(C(=O)N2CCN(C(C)(C)CC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000456692600 515356941 /nfs/dbraw/zinc/35/69/41/515356941.db2.gz LXOOKTGALYNVDU-UHFFFAOYSA-N 0 3 365.478 2.853 20 5 FFBDHN O=C(NC1CCN(C2CCC2)CC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000456704733 515366895 /nfs/dbraw/zinc/36/68/95/515366895.db2.gz STAKRBYUMBZEJQ-UHFFFAOYSA-N 0 3 369.425 2.527 20 5 FFBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000468459451 515368267 /nfs/dbraw/zinc/36/82/67/515368267.db2.gz ILKYCMVTPBKMBI-INIZCTEOSA-N 0 3 372.425 2.699 20 5 FFBDHN C[C@@H]1COCCN1CCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000491069544 515368891 /nfs/dbraw/zinc/36/88/91/515368891.db2.gz YEADQQSUPUSEQR-UZLBHIALSA-N 0 3 355.438 2.995 20 5 FFBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000468473558 515374142 /nfs/dbraw/zinc/37/41/42/515374142.db2.gz YEIKWWJJYHTLBR-KRWDZBQOSA-N 0 3 358.442 2.855 20 5 FFBDHN CCC[C@@H]1CN(c2ccc([N+](=O)[O-])c(OCC)c2)CCN1CCOC ZINC000499640866 515395868 /nfs/dbraw/zinc/39/58/68/515395868.db2.gz KKLHCUWMYPWHES-MRXNPFEDSA-N 0 3 351.447 2.931 20 5 FFBDHN CC(C)(CN1CCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000457057143 515613077 /nfs/dbraw/zinc/61/30/77/515613077.db2.gz USXDOKIDIXQDJY-UHFFFAOYSA-N 0 3 370.247 2.962 20 5 FFBDHN CC(C)N1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000457110644 515657437 /nfs/dbraw/zinc/65/74/37/515657437.db2.gz HZDUORODRDHWOM-LBPRGKRZSA-N 0 3 370.247 2.912 20 5 FFBDHN Cn1c(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)ccc1[N+](=O)[O-] ZINC000500302984 515660092 /nfs/dbraw/zinc/66/00/92/515660092.db2.gz LYLKKHPDJITYRA-CYBMUJFWSA-N 0 3 362.455 2.637 20 5 FFBDHN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3C[C@H](C)NC[C@@H]3C)cc2[N+](=O)[O-])C1 ZINC000505850288 515696146 /nfs/dbraw/zinc/69/61/46/515696146.db2.gz FZAAXMNOHJIVNL-FZKCQIBNSA-N 0 3 374.485 2.900 20 5 FFBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1n[nH]c(C(C)(C)C)n1 ZINC000459682969 515741347 /nfs/dbraw/zinc/74/13/47/515741347.db2.gz TZMAFDBMZGQSEO-NSHDSACASA-N 0 3 360.418 2.517 20 5 FFBDHN Cc1ccc([C@@H](C)NCCC(=O)NCC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000511200803 515826343 /nfs/dbraw/zinc/82/63/43/515826343.db2.gz VDKGZYLQFQRDLK-OAHLLOKOSA-N 0 3 369.421 2.943 20 5 FFBDHN C[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C1=CCN(C)CC1 ZINC000511233225 515836408 /nfs/dbraw/zinc/83/64/08/515836408.db2.gz UIMNJEKYBGKIFU-AWEZNQCLSA-N 0 3 358.442 2.919 20 5 FFBDHN CN(C)CCN(Cc1ccccn1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000500854369 515884700 /nfs/dbraw/zinc/88/47/00/515884700.db2.gz YXZOOOPMIJHKPY-UHFFFAOYSA-N 0 3 367.409 2.675 20 5 FFBDHN CN1CC=C(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000501081085 515970698 /nfs/dbraw/zinc/97/06/98/515970698.db2.gz FSHFUCSCMIXAHC-UHFFFAOYSA-N 0 3 369.219 2.741 20 5 FFBDHN COC(=O)COc1ccc(CN[C@@H]2C[C@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000474369649 516015219 /nfs/dbraw/zinc/01/52/19/516015219.db2.gz JEKNYEBIMNDBBP-IAGOWNOFSA-N 0 3 370.405 2.867 20 5 FFBDHN CN(CCN(C)C1CC1)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000474583856 516107808 /nfs/dbraw/zinc/10/78/08/516107808.db2.gz VWQYXCSXZWUBBG-UHFFFAOYSA-N 0 3 355.822 2.570 20 5 FFBDHN CN(C)[C@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000465450233 516156994 /nfs/dbraw/zinc/15/69/94/516156994.db2.gz ZIPDTJZCPTYAQV-GOSISDBHSA-N 0 3 356.426 2.739 20 5 FFBDHN Cn1cc(-c2ncc(CNCCCCc3ccc([N+](=O)[O-])cc3)cn2)cn1 ZINC000474799189 516197768 /nfs/dbraw/zinc/19/77/68/516197768.db2.gz NSYMVQFNNZMGLL-UHFFFAOYSA-N 0 3 366.425 2.898 20 5 FFBDHN CN(C)Cc1ccc(CNC(=O)NCCc2ccccc2[N+](=O)[O-])cc1 ZINC000465624512 516214746 /nfs/dbraw/zinc/21/47/46/516214746.db2.gz DCPDVSZCUXEKBU-UHFFFAOYSA-N 0 3 356.426 2.698 20 5 FFBDHN CC(C)(C)[C@@H]1C[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000488568141 516262450 /nfs/dbraw/zinc/26/24/50/516262450.db2.gz ARRKJVLKJPZELF-WFASDCNBSA-N 0 3 372.512 2.878 20 5 FFBDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000488708656 516290594 /nfs/dbraw/zinc/29/05/94/516290594.db2.gz IEJBHFVBWTXSPM-CYBMUJFWSA-N 0 3 353.850 2.933 20 5 FFBDHN CC1CCN(CCCCNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000497539822 516325806 /nfs/dbraw/zinc/32/58/06/516325806.db2.gz FICDVAWWHDRSOX-UHFFFAOYSA-N 0 3 369.487 2.922 20 5 FFBDHN COC(=O)c1cc(C)nc(N[C@@H]2CCN(C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000557639657 516353606 /nfs/dbraw/zinc/35/36/06/516353606.db2.gz SBFBJSLDKKPBOG-CVEARBPZSA-N 0 3 370.409 2.942 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](COC(F)F)C1 ZINC000512822154 516373601 /nfs/dbraw/zinc/37/36/01/516373601.db2.gz FMOOSQJKISBABA-GFCCVEGCSA-N 0 3 357.357 2.793 20 5 FFBDHN O=C(N1CCCC1)N1CCC[C@H](NC/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000512885126 516400916 /nfs/dbraw/zinc/40/09/16/516400916.db2.gz KYVSGURXBZJWSL-AFCDSYGPSA-N 0 3 358.442 2.878 20 5 FFBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NCC1CCN(c2ccncc2)CC1 ZINC000540039906 516413736 /nfs/dbraw/zinc/41/37/36/516413736.db2.gz CQYIBJUDKIRRAQ-UHFFFAOYSA-N 0 3 369.425 2.678 20 5 FFBDHN CN(C)[C@@]1(CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CCSC1 ZINC000535593750 516415340 /nfs/dbraw/zinc/41/53/40/516415340.db2.gz XRKDCFBNPTZPGS-GOSISDBHSA-N 0 3 358.467 2.928 20 5 FFBDHN CC(C)C[C@@H](CN(C)C)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000543798926 516433545 /nfs/dbraw/zinc/43/35/45/516433545.db2.gz LEOUBPONJYGFGO-LBPRGKRZSA-N 0 3 359.373 2.902 20 5 FFBDHN CN(C)C(=O)C[C@@H](NCCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000517767111 516445606 /nfs/dbraw/zinc/44/56/06/516445606.db2.gz OBRHYBXFZULBHR-MRXNPFEDSA-N 0 3 357.410 2.783 20 5 FFBDHN C[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc2n[nH]cc2c1 ZINC000513204575 516519702 /nfs/dbraw/zinc/51/97/02/516519702.db2.gz GPDSHWOKSUJUQU-MLGOLLRUSA-N 0 3 356.382 2.562 20 5 FFBDHN CN(C)c1ccccc1CN(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000554746483 516617743 /nfs/dbraw/zinc/61/77/43/516617743.db2.gz ZGVVQFKEKSBYHW-MRXNPFEDSA-N 0 3 359.426 2.533 20 5 FFBDHN CN(CC1CCN(C)CC1)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000523971526 516619427 /nfs/dbraw/zinc/61/94/27/516619427.db2.gz KANKFIMHOWYGNL-UHFFFAOYSA-N 0 3 369.849 2.817 20 5 FFBDHN CCN1CCC(N(C)C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000524197987 516667745 /nfs/dbraw/zinc/66/77/45/516667745.db2.gz FQNNNXRKDRIZHO-UHFFFAOYSA-N 0 3 369.849 2.960 20 5 FFBDHN O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCN1Cc1ccccc1 ZINC000513571769 516675890 /nfs/dbraw/zinc/67/58/90/516675890.db2.gz GWJCFYONJQMVDO-KRWDZBQOSA-N 0 3 368.437 2.788 20 5 FFBDHN CC[C@H](NC[C@H](O)COc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000531951606 516728461 /nfs/dbraw/zinc/72/84/61/516728461.db2.gz YMXQWHJLVSETPT-RDJZCZTQSA-N 0 3 374.393 2.804 20 5 FFBDHN COc1ccc(CN[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1O ZINC000531961566 516733614 /nfs/dbraw/zinc/73/36/14/516733614.db2.gz MUHIJCIJWJULBR-GFCCVEGCSA-N 0 3 359.382 2.816 20 5 FFBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(Cc2ccc(F)cc2)CC1 ZINC000536378379 516742590 /nfs/dbraw/zinc/74/25/90/516742590.db2.gz MMMWWOOOXSSOHO-UHFFFAOYSA-N 0 3 359.401 2.850 20 5 FFBDHN CCOc1ccc(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000561746954 516746007 /nfs/dbraw/zinc/74/60/07/516746007.db2.gz PKYREHZJSOSVTR-SQWLQELKSA-N 0 3 361.442 2.796 20 5 FFBDHN CN(CCC1CCN(c2ccncc2)CC1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000536397397 516748910 /nfs/dbraw/zinc/74/89/10/516748910.db2.gz XOLYOOIJIUBZAC-UHFFFAOYSA-N 0 3 369.425 2.764 20 5 FFBDHN CC(C)(C)CCN1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000518808293 516783971 /nfs/dbraw/zinc/78/39/71/516783971.db2.gz GGAUQXWUQUFEBL-UHFFFAOYSA-N 0 3 363.458 2.944 20 5 FFBDHN C[C@@H]1CCN(CCNC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000524721346 516801436 /nfs/dbraw/zinc/80/14/36/516801436.db2.gz QPSOOTMGPGGGCO-HZPDHXFCSA-N 0 3 374.485 2.903 20 5 FFBDHN C[C@H]1CCN(CCNC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000524721345 516802526 /nfs/dbraw/zinc/80/25/26/516802526.db2.gz QPSOOTMGPGGGCO-HOTGVXAUSA-N 0 3 374.485 2.903 20 5 FFBDHN CCN1CC[C@H]2OCCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000555207839 516830192 /nfs/dbraw/zinc/83/01/92/516830192.db2.gz ZMVLCSIMQJKXEW-LSDHHAIUSA-N 0 3 359.348 2.913 20 5 FFBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541063811 516853684 /nfs/dbraw/zinc/85/36/84/516853684.db2.gz DBNVEKTUWAENBP-LLVKDONJSA-N 0 3 371.384 2.999 20 5 FFBDHN CC[C@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000536857069 516957282 /nfs/dbraw/zinc/95/72/82/516957282.db2.gz ILKHPDBKXHCQFT-HNNXBMFYSA-N 0 3 369.487 2.822 20 5 FFBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000525554726 517074093 /nfs/dbraw/zinc/07/40/93/517074093.db2.gz PEUUTBNRAOYPTK-LRDDRELGSA-N 0 3 362.455 2.808 20 5 FFBDHN CC(C)N1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000545156316 517075236 /nfs/dbraw/zinc/07/52/36/517075236.db2.gz NKNRYGGJVLTEIM-UHFFFAOYSA-N 0 3 351.422 2.954 20 5 FFBDHN C[C@@H](Cc1cccs1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000514852781 517090709 /nfs/dbraw/zinc/09/07/09/517090709.db2.gz SAMCPJMZARWVIE-LBPRGKRZSA-N 0 3 354.453 2.651 20 5 FFBDHN COc1cc(CN2CCC[C@@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])cc1OC ZINC000552190218 517132095 /nfs/dbraw/zinc/13/20/95/517132095.db2.gz CWKCLRQDWNYIFS-KGLIPLIRSA-N 0 3 350.415 2.861 20 5 FFBDHN CCN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000545476803 517257936 /nfs/dbraw/zinc/25/79/36/517257936.db2.gz KBAIEZXIVJDHIP-INIZCTEOSA-N 0 3 356.426 2.670 20 5 FFBDHN Cc1ccc([C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)N(C)C)cc1 ZINC000520064841 517268616 /nfs/dbraw/zinc/26/86/16/517268616.db2.gz JISBSIFWEKWLLD-MRXNPFEDSA-N 0 3 360.389 2.657 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)n1 ZINC000541935031 517299868 /nfs/dbraw/zinc/29/98/68/517299868.db2.gz HKEODWNFEOMPIZ-ROUUACIJSA-N 0 3 370.453 2.902 20 5 FFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN(C)C1 ZINC000559570115 517319601 /nfs/dbraw/zinc/31/96/01/517319601.db2.gz QCJVXMLENBYCHJ-LLVKDONJSA-N 0 3 370.247 2.737 20 5 FFBDHN COc1ccc(NC(=O)CCN2CC[C@@H](c3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000559638651 517356504 /nfs/dbraw/zinc/35/65/04/517356504.db2.gz HAFKHROVCNLYJP-OAHLLOKOSA-N 0 3 370.409 2.817 20 5 FFBDHN COc1ccc(NC(=O)CCN2CCC(OC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000533475695 517481889 /nfs/dbraw/zinc/48/18/89/517481889.db2.gz IFTPURPKDJMBDP-UHFFFAOYSA-N 0 3 365.430 2.821 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCCOC2CCCCCC2)c1 ZINC000562996356 517568828 /nfs/dbraw/zinc/56/88/28/517568828.db2.gz PIARPCZWCGSMMM-MRXNPFEDSA-N 0 3 352.431 2.664 20 5 FFBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cc(-n4ccnc4)cs3)C2)nc1 ZINC000542466684 517582046 /nfs/dbraw/zinc/58/20/46/517582046.db2.gz QIBUAGYWNZXSDF-CYBMUJFWSA-N 0 3 370.438 2.923 20 5 FFBDHN COc1ccc(CNC(=O)NC[C@@H](C)N2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000516158269 517590698 /nfs/dbraw/zinc/59/06/98/517590698.db2.gz SEKFVQXAAWWZHE-ZIAGYGMSSA-N 0 3 364.446 2.666 20 5 FFBDHN COC(=O)[C@@H]1CCCC[C@]1(C)NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000538375516 517594162 /nfs/dbraw/zinc/59/41/62/517594162.db2.gz KJWSNAIMNWWPFT-KSSFIOAISA-N 0 3 363.414 2.553 20 5 FFBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](N)Cc3ccccc32)cc1OC ZINC000516174760 517600226 /nfs/dbraw/zinc/60/02/26/517600226.db2.gz UPYVRNPLWFSYFK-ZDUSSCGKSA-N 0 3 371.393 2.532 20 5 FFBDHN NC[C@@H]1c2ccccc2CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000563154532 517697831 /nfs/dbraw/zinc/69/78/31/517697831.db2.gz OYTRVJPCQHJINQ-QGZVFWFLSA-N 0 3 365.393 2.703 20 5 FFBDHN CNC(=O)COc1cccc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000556898796 517734712 /nfs/dbraw/zinc/73/47/12/517734712.db2.gz QTTAMPAQZHRPGR-CQSZACIVSA-N 0 3 357.410 2.879 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H](N1CCOCC1)C(F)(F)F)CCC2 ZINC000556920123 517748134 /nfs/dbraw/zinc/74/81/34/517748134.db2.gz DWULLCMTIVWNQI-HZPDHXFCSA-N 0 3 373.375 2.825 20 5 FFBDHN COc1cc(C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000553528240 517765971 /nfs/dbraw/zinc/76/59/71/517765971.db2.gz SKVILRLOFOPQJT-CYBMUJFWSA-N 0 3 361.442 2.858 20 5 FFBDHN N[C@@H](CC1CCCCC1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000521538543 517768094 /nfs/dbraw/zinc/76/80/94/517768094.db2.gz CFTWMVOZAKPHRN-SFHVURJKSA-N 0 3 360.458 2.541 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](CO)c1ccccc1C ZINC000542912527 517810725 /nfs/dbraw/zinc/81/07/25/517810725.db2.gz ZRVONHLXICLONA-QGZVFWFLSA-N 0 3 373.409 2.564 20 5 FFBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000563417329 517891394 /nfs/dbraw/zinc/89/13/94/517891394.db2.gz LUCJDXNTBIANLB-HLIPFELVSA-N 0 3 367.449 2.807 20 5 FFBDHN CN(C)CCOc1ccccc1-c1noc(-c2ccc([N+](=O)[O-])n2C)n1 ZINC000547112041 517989909 /nfs/dbraw/zinc/98/99/09/517989909.db2.gz VEIKEZFFVPXUFJ-UHFFFAOYSA-N 0 3 357.370 2.591 20 5 FFBDHN CCCCN1CCCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000522435561 518107089 /nfs/dbraw/zinc/10/70/89/518107089.db2.gz WUYJBAPKJHXHJL-CQSZACIVSA-N 0 3 373.450 2.667 20 5 FFBDHN C[C@@H]1CCCC[C@H]1OCCNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000572558151 518246318 /nfs/dbraw/zinc/24/63/18/518246318.db2.gz UEMSMAFADJRGEH-BFYDXBDKSA-N 0 3 352.431 2.519 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2cccc(OC(F)F)c2)c1 ZINC000575796404 518283726 /nfs/dbraw/zinc/28/37/26/518283726.db2.gz ALHUQOXXPWOCAM-CQSZACIVSA-N 0 3 368.336 2.726 20 5 FFBDHN C[C@H]1C[C@H]1N1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000584547547 518393408 /nfs/dbraw/zinc/39/34/08/518393408.db2.gz HGLQJOMBIQMINR-NVGCLXPQSA-N 0 3 367.396 2.604 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)c1 ZINC000567238922 518423344 /nfs/dbraw/zinc/42/33/44/518423344.db2.gz BGTZIKIVUTUYBX-FQEVSTJZSA-N 0 3 369.421 2.998 20 5 FFBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000570183745 518483250 /nfs/dbraw/zinc/48/32/50/518483250.db2.gz TUJOOQSJXAWHBR-FQEVSTJZSA-N 0 3 368.437 2.672 20 5 FFBDHN CCOc1cc(C)ccc1CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564850064 518651490 /nfs/dbraw/zinc/65/14/90/518651490.db2.gz PJMNUTZLHNTLEU-QGZVFWFLSA-N 0 3 360.410 2.831 20 5 FFBDHN C[C@H](CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000570591087 518682365 /nfs/dbraw/zinc/68/23/65/518682365.db2.gz DQVRRWMYTQQORM-JKSUJKDBSA-N 0 3 362.474 2.899 20 5 FFBDHN CO[C@H](C)[C@H](C)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000579604827 518762519 /nfs/dbraw/zinc/76/25/19/518762519.db2.gz MOEIYLGYBQNYHS-DTWKUNHWSA-N 0 3 364.183 2.712 20 5 FFBDHN CCN(C[C@H]1CCCN1CC)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000565323081 518898533 /nfs/dbraw/zinc/89/85/33/518898533.db2.gz MNZRHUASPOXUSX-OAHLLOKOSA-N 0 3 371.441 2.727 20 5 FFBDHN C[C@@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCCC[C@@H]1C ZINC000565502247 518988114 /nfs/dbraw/zinc/98/81/14/518988114.db2.gz ABTQXLHMEPZTKM-RYUDHWBXSA-N 0 3 355.385 2.795 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCN1C ZINC000583057225 519053552 /nfs/dbraw/zinc/05/35/52/519053552.db2.gz LDXZDONIXGXTSP-NXEZZACHSA-N 0 3 358.345 2.800 20 5 FFBDHN COc1cc(CNC[C@@H]2CSc3ccccc3O2)c([N+](=O)[O-])cc1O ZINC000568749579 519196482 /nfs/dbraw/zinc/19/64/82/519196482.db2.gz QUGQGCLUJRZNOR-GFCCVEGCSA-N 0 3 362.407 2.952 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCCOc1cccc(Cl)c1 ZINC000580543578 519230717 /nfs/dbraw/zinc/23/07/17/519230717.db2.gz JJHHEBZMHICWDE-AWEZNQCLSA-N 0 3 366.801 2.657 20 5 FFBDHN CN1C[C@H]2[C@@H](CCN2C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000590446468 519236204 /nfs/dbraw/zinc/23/62/04/519236204.db2.gz VOBVPFYNTLEUHX-GWCFXTLKSA-N 0 3 355.847 2.503 20 5 FFBDHN COC(=O)c1ccnc(NC[C@H](c2cccc(F)c2)N(C)C)c1[N+](=O)[O-] ZINC000590568577 519268598 /nfs/dbraw/zinc/26/85/98/519268598.db2.gz IFUPNEUKRFTGNQ-CQSZACIVSA-N 0 3 362.361 2.630 20 5 FFBDHN CC(C)c1ccc(C(=O)N2CCOC[C@H]2[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000590566388 519268842 /nfs/dbraw/zinc/26/88/42/519268842.db2.gz ZRKUXBIHXYTAME-AEFFLSMTSA-N 0 3 361.442 2.653 20 5 FFBDHN COC(=O)c1c(Cl)c(N2CCC[C@H]3CN(C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000590581005 519273349 /nfs/dbraw/zinc/27/33/49/519273349.db2.gz GJPQAKNCGDGIEW-NWDGAFQWSA-N 0 3 367.833 2.955 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H](c2ccccn2)C1 ZINC000590599085 519284081 /nfs/dbraw/zinc/28/40/81/519284081.db2.gz AAJCNIQSDXBRAU-HOTGVXAUSA-N 0 3 357.410 2.609 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(F)(F)[C@@H](C)C1 ZINC000568935200 519290222 /nfs/dbraw/zinc/29/02/22/519290222.db2.gz LSKXWICERRDFHY-NSHDSACASA-N 0 3 357.357 2.909 20 5 FFBDHN CC(C)(C(=O)NC[C@@H]1NCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000566101975 519300166 /nfs/dbraw/zinc/30/01/66/519300166.db2.gz BKPJOVWQAJEOGF-SFHVURJKSA-N 0 3 353.422 2.876 20 5 FFBDHN CC(C)N(C)c1ccccc1CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566132280 519322823 /nfs/dbraw/zinc/32/28/23/519322823.db2.gz VTLLXTZKBXVFCF-SFHVURJKSA-N 0 3 373.453 2.969 20 5 FFBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590806560 519380335 /nfs/dbraw/zinc/38/03/35/519380335.db2.gz RMMICKYRKJIOBK-QZTJIDSGSA-N 0 3 372.469 2.968 20 5 FFBDHN C[C@]1(NC(=O)COc2cccc([N+](=O)[O-])c2)CCN(Cc2ccccc2)C1 ZINC000566320211 519431087 /nfs/dbraw/zinc/43/10/87/519431087.db2.gz ZTCXVRKPOIKDDP-FQEVSTJZSA-N 0 3 369.421 2.754 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000581004394 519472896 /nfs/dbraw/zinc/47/28/96/519472896.db2.gz HYAIIYMFASSKJV-UHFFFAOYSA-N 0 3 372.429 2.686 20 5 FFBDHN CCc1nn(C)c(Nc2cccc(N3CCN(CC)CC3)c2)c1[N+](=O)[O-] ZINC000575086961 519492350 /nfs/dbraw/zinc/49/23/50/519492350.db2.gz FLTYKFYMTRPPIP-UHFFFAOYSA-N 0 3 358.446 2.776 20 5 FFBDHN O=[N+]([O-])c1ccc2ccnc(N3CCCN(C[C@H]4CCCO4)CC3)c2c1 ZINC000591138807 519526437 /nfs/dbraw/zinc/52/64/37/519526437.db2.gz ZZPLCEQKKJPYEA-QGZVFWFLSA-N 0 3 356.426 2.834 20 5 FFBDHN CC(C)N(Cc1cn(C)nc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000602853301 519926624 /nfs/dbraw/zinc/92/66/24/519926624.db2.gz WXUSTARGOVRNRN-SFHVURJKSA-N 0 3 357.458 2.813 20 5 FFBDHN CN1CC[C@]2(CCN(C(=O)c3c(Br)cccc3[N+](=O)[O-])C2)C1 ZINC000599972441 519978978 /nfs/dbraw/zinc/97/89/78/519978978.db2.gz XPNGIMSYCFIIOY-HNNXBMFYSA-N 0 3 368.231 2.525 20 5 FFBDHN COc1cc(CN(C)Cc2cn[nH]c2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000602945176 519986400 /nfs/dbraw/zinc/98/64/00/519986400.db2.gz XZNPCKCMTYLFOQ-UHFFFAOYSA-N 0 3 370.356 2.911 20 5 FFBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC(CCF)CC1 ZINC000602947723 519987828 /nfs/dbraw/zinc/98/78/28/519987828.db2.gz NJQBENIQXQREDN-UHFFFAOYSA-N 0 3 351.378 2.964 20 5 FFBDHN C[C@@](CO)(NC[C@H](O)Cc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000602963649 519996771 /nfs/dbraw/zinc/99/67/71/519996771.db2.gz YAJVPHFASGFBSV-MSOLQXFVSA-N 0 3 364.829 2.649 20 5 FFBDHN NC(=O)c1ccccc1N1CC[C@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000594494947 520002350 /nfs/dbraw/zinc/00/23/50/520002350.db2.gz INVIWTITIQWELS-GUYCJALGSA-N 0 3 366.421 2.550 20 5 FFBDHN Cn1nnc2c1CC[C@@H](NCc1ccc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000594514639 520010776 /nfs/dbraw/zinc/01/07/76/520010776.db2.gz KMWLKUJVTZYOHN-CYBMUJFWSA-N 0 3 353.382 2.630 20 5 FFBDHN Cc1cccc(C)c1OC[C@@H](O)CNCCOc1ccc([N+](=O)[O-])cc1 ZINC000591735589 520016282 /nfs/dbraw/zinc/01/62/82/520016282.db2.gz PZYHELRMDGMSKB-KRWDZBQOSA-N 0 3 360.410 2.620 20 5 FFBDHN Cc1cccc(CC2CN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)c1 ZINC000612676897 520083958 /nfs/dbraw/zinc/08/39/58/520083958.db2.gz PUVFFGXGLVXGEE-SFHVURJKSA-N 0 3 356.422 2.817 20 5 FFBDHN C[C@]1(CO)CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@]1(C)CO ZINC000600202323 520120012 /nfs/dbraw/zinc/12/00/12/520120012.db2.gz CQDMGNABOFGPIA-KDURUIRLSA-N 0 3 360.410 2.668 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1C ZINC000594788953 520158899 /nfs/dbraw/zinc/15/88/99/520158899.db2.gz INZKRDIATRFDKZ-CQSZACIVSA-N 0 3 369.487 2.610 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CC[N@H+](C(C)(C)C)C2)cc1C ZINC000594788953 520158905 /nfs/dbraw/zinc/15/89/05/520158905.db2.gz INZKRDIATRFDKZ-CQSZACIVSA-N 0 3 369.487 2.610 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000608905308 520158908 /nfs/dbraw/zinc/15/89/08/520158908.db2.gz BMFJPQXSVCICEV-GXTWGEPZSA-N 0 3 367.833 2.712 20 5 FFBDHN CN(C)C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000600469391 520278121 /nfs/dbraw/zinc/27/81/21/520278121.db2.gz AKVHSJGNXWSACE-NSHDSACASA-N 0 3 372.212 2.657 20 5 FFBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@H]1CCN1C1CCCC1 ZINC000600470727 520278612 /nfs/dbraw/zinc/27/86/12/520278612.db2.gz IEPLCQXHPGDDRJ-QGZVFWFLSA-N 0 3 356.426 2.683 20 5 FFBDHN O=C(NC[C@@H]1CCN1C1CCCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000600470893 520278930 /nfs/dbraw/zinc/27/89/30/520278930.db2.gz JOBZAGAWPVBHOJ-INIZCTEOSA-N 0 3 369.425 2.527 20 5 FFBDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000597861756 520288555 /nfs/dbraw/zinc/28/85/55/520288555.db2.gz WXLBVMSPIWIEJG-AWEZNQCLSA-N 0 3 357.414 2.588 20 5 FFBDHN CCOc1cc(C(=O)NC[C@H]2CCCCN2CC)c([N+](=O)[O-])cc1OC ZINC000609489436 520330355 /nfs/dbraw/zinc/33/03/55/520330355.db2.gz MRFZJJSMUWFHIP-CYBMUJFWSA-N 0 3 365.430 2.606 20 5 FFBDHN C[C@H]1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCS1 ZINC000617263865 520403420 /nfs/dbraw/zinc/40/34/20/520403420.db2.gz HIVSCRIIWJRPJU-LBPRGKRZSA-N 0 3 351.428 2.720 20 5 FFBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NCC1CCN(Cc2ccncc2)CC1 ZINC000598062108 520404610 /nfs/dbraw/zinc/40/46/10/520404610.db2.gz JOWMPLPMVJIXHW-UHFFFAOYSA-N 0 3 368.437 2.561 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](CO)[C@H](C)c1ccccc1 ZINC000613389709 520478651 /nfs/dbraw/zinc/47/86/51/520478651.db2.gz KUKDYLWBHFPWIJ-KDOFPFPSSA-N 0 3 357.410 2.596 20 5 FFBDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000598195962 520487483 /nfs/dbraw/zinc/48/74/83/520487483.db2.gz XUNDMHQNEUMEFI-INIZCTEOSA-N 0 3 368.437 2.566 20 5 FFBDHN CN(C)CCOc1ccccc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000609965415 520491526 /nfs/dbraw/zinc/49/15/26/520491526.db2.gz PLEHETYJNVSAKI-UHFFFAOYSA-N 0 3 370.453 2.862 20 5 FFBDHN CCCN1CC[C@@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000598342194 520564385 /nfs/dbraw/zinc/56/43/85/520564385.db2.gz JYOGFPYXUUXYFF-CYBMUJFWSA-N 0 3 355.822 2.618 20 5 FFBDHN CCCN1CC[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000598343036 520567043 /nfs/dbraw/zinc/56/70/43/520567043.db2.gz RULDSAKRRGSDKH-ZDUSSCGKSA-N 0 3 360.439 2.932 20 5 FFBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000604472812 520570379 /nfs/dbraw/zinc/57/03/79/520570379.db2.gz PVAZHIPJCQRDSO-UHFFFAOYSA-N 0 3 369.421 2.998 20 5 FFBDHN CN(C)CCOc1cccc(CNC(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000601035597 520606888 /nfs/dbraw/zinc/60/68/88/520606888.db2.gz WQUNXABGFQNLMI-UHFFFAOYSA-N 0 3 361.373 2.604 20 5 FFBDHN Cc1n[nH]c(C(=O)N(C(C)C)[C@@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000592873668 520626796 /nfs/dbraw/zinc/62/67/96/520626796.db2.gz QGBMVNAQZXQKAX-MRXNPFEDSA-N 0 3 371.441 2.751 20 5 FFBDHN Cc1[nH]nc(C(=O)N(C(C)C)[C@@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000592873668 520626806 /nfs/dbraw/zinc/62/68/06/520626806.db2.gz QGBMVNAQZXQKAX-MRXNPFEDSA-N 0 3 371.441 2.751 20 5 FFBDHN O=[N+]([O-])c1cnn(CCN[C@]2(Cc3ccc(Cl)cc3)CCCOC2)c1 ZINC000595670311 520634739 /nfs/dbraw/zinc/63/47/39/520634739.db2.gz BIURIOKIJYAOQS-KRWDZBQOSA-N 0 3 364.833 2.826 20 5 FFBDHN CC[C@@H]1CN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)N1 ZINC000598536764 520688259 /nfs/dbraw/zinc/68/82/59/520688259.db2.gz WDVMCNCNRDNSBB-GMXVVIOVSA-N 0 3 355.822 2.614 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC2(CCCC2)OC[C@@H]1CN(C)C ZINC000598536789 520689637 /nfs/dbraw/zinc/68/96/37/520689637.db2.gz XBMAYNNUDZELPI-INIZCTEOSA-N 0 3 361.442 2.619 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@]2(CO)CC(C)C)c1 ZINC000593027074 520692332 /nfs/dbraw/zinc/69/23/32/520692332.db2.gz KMWCHIGLWYWGSN-SFHVURJKSA-N 0 3 350.415 2.754 20 5 FFBDHN CCOC(=O)CC1(NCc2cc(C(=O)OC)ccc2[N+](=O)[O-])CCCC1 ZINC000593029397 520692782 /nfs/dbraw/zinc/69/27/82/520692782.db2.gz TWPGZORSRFRQIK-UHFFFAOYSA-N 0 3 364.398 2.737 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCN([C@H]3CCC[C@@H]3O)CC2)cc1C(F)(F)F ZINC000610468603 520702972 /nfs/dbraw/zinc/70/29/72/520702972.db2.gz QRUVKDOCUCENSM-GJZGRUSLSA-N 0 3 359.348 2.649 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CCCN(C[C@H]2CCCO2)CC1 ZINC000610476245 520705278 /nfs/dbraw/zinc/70/52/78/520705278.db2.gz MZTJGLVFRZVSKW-GOSISDBHSA-N 0 3 363.458 2.680 20 5 FFBDHN CC(C)(C)O[C@H]1C[C@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCC2 ZINC000595779127 520718320 /nfs/dbraw/zinc/71/83/20/520718320.db2.gz ZKUJSPPKMSVNDN-HOTGVXAUSA-N 0 3 361.442 2.910 20 5 FFBDHN CN(C)[C@]1(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCSC1 ZINC000601276144 520720352 /nfs/dbraw/zinc/72/03/52/520720352.db2.gz IHMHFRKRAFSASL-KRWDZBQOSA-N 0 3 363.483 2.570 20 5 FFBDHN CN(C)C[C@@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])c2ccccc2O1 ZINC000593090185 520738257 /nfs/dbraw/zinc/73/82/57/520738257.db2.gz SIKJSTFDHOUWFV-OAHLLOKOSA-N 0 3 373.384 2.632 20 5 FFBDHN CCc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)N(C)C)cc1 ZINC000596055632 520881403 /nfs/dbraw/zinc/88/14/03/520881403.db2.gz UATFEEGDNJIKIJ-GOSISDBHSA-N 0 3 356.426 2.971 20 5 FFBDHN O=[N+]([O-])c1cnn(CCNCc2ccccc2OCc2ccncc2)c1 ZINC000610890142 520894887 /nfs/dbraw/zinc/89/48/87/520894887.db2.gz GXPGGFXZGKXZOO-UHFFFAOYSA-N 0 3 353.382 2.555 20 5 FFBDHN CN(C)CCN1CCC(Nc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596075974 520897386 /nfs/dbraw/zinc/89/73/86/520897386.db2.gz LMUMPWGFJGGDIV-UHFFFAOYSA-N 0 3 371.279 2.795 20 5 FFBDHN C[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)N1CCCC1 ZINC000610903573 520899293 /nfs/dbraw/zinc/89/92/93/520899293.db2.gz BPDMNCAGCOZYDX-JTQLQIEISA-N 0 3 356.220 2.571 20 5 FFBDHN C[C@@H](c1ccccc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596088648 520906703 /nfs/dbraw/zinc/90/67/03/520906703.db2.gz MUMLGSQUTRKNOV-XJKSGUPXSA-N 0 3 354.410 2.941 20 5 FFBDHN CN(CCC1CCN(c2ccncc2)CC1)c1ccc(N)c([N+](=O)[O-])n1 ZINC000596182726 520958012 /nfs/dbraw/zinc/95/80/12/520958012.db2.gz QYHQQEOCQXXFEY-UHFFFAOYSA-N 0 3 356.430 2.710 20 5 FFBDHN NC(=O)[C@H]1C[C@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000599004508 520974607 /nfs/dbraw/zinc/97/46/07/520974607.db2.gz RUBAWWVQKHZHJZ-MQMHXKEQSA-N 0 3 359.357 2.880 20 5 FFBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](CO)c1ccnn1C ZINC000599054310 521004135 /nfs/dbraw/zinc/00/41/35/521004135.db2.gz JCAOYLVGMFPVJW-STQMWFEESA-N 0 3 350.444 2.522 20 5 FFBDHN C[C@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)CC[C@H]1N1CCN(C)CC1 ZINC000593463960 521010040 /nfs/dbraw/zinc/01/00/40/521010040.db2.gz ALAQFNRJUXZWMV-HNAYVOBHSA-N 0 3 369.469 2.605 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000599089063 521026184 /nfs/dbraw/zinc/02/61/84/521026184.db2.gz WWQQWYJHILNOBC-LPHOPBHVSA-N 0 3 370.453 2.850 20 5 FFBDHN Cn1ccnc1C(=O)c1ccc(NC[C@H]2CCCCN(C)C2)c([N+](=O)[O-])c1 ZINC000599138646 521049864 /nfs/dbraw/zinc/04/98/64/521049864.db2.gz IIDYATCRAIOSOC-CQSZACIVSA-N 0 3 371.441 2.703 20 5 FFBDHN CCCN1CC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000596694809 521227461 /nfs/dbraw/zinc/22/74/61/521227461.db2.gz OBSYEIGKXRYJMT-SNVBAGLBSA-N 0 3 358.345 2.802 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000611615886 521250997 /nfs/dbraw/zinc/25/09/97/521250997.db2.gz FKPKWXMMVRTRFO-IYBDPMFKSA-N 0 3 362.474 2.932 20 5 FFBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599512063 521268057 /nfs/dbraw/zinc/26/80/57/521268057.db2.gz YEVZPAMDYKCQJU-LLVKDONJSA-N 0 3 370.247 2.771 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000596788464 521285013 /nfs/dbraw/zinc/28/50/13/521285013.db2.gz TXJCJAXPMHEXGS-OAHLLOKOSA-N 0 3 362.430 2.586 20 5 FFBDHN Cc1ccc([C@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)N(C)C)cc1 ZINC000611707026 521290761 /nfs/dbraw/zinc/29/07/61/521290761.db2.gz CYIIVKFURNOFBO-SFHVURJKSA-N 0 3 351.410 2.983 20 5 FFBDHN CC(C)[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000599550661 521291377 /nfs/dbraw/zinc/29/13/77/521291377.db2.gz XGYXOABTXBAOJD-LJQANCHMSA-N 0 3 357.458 2.634 20 5 FFBDHN CCN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000596900348 521367064 /nfs/dbraw/zinc/36/70/64/521367064.db2.gz MVBZBDKUBLPCSC-GFCCVEGCSA-N 0 3 371.235 2.915 20 5 FFBDHN CN(C)CCOc1cccc(CNCc2nc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000602516431 521390003 /nfs/dbraw/zinc/39/00/03/521390003.db2.gz LKQGSSIEDMVCMJ-UHFFFAOYSA-N 0 3 370.409 2.966 20 5 FFBDHN O=[N+]([O-])c1sc(CNCC[C@H](O)C(F)(F)F)cc1Br ZINC000602655913 521460932 /nfs/dbraw/zinc/46/09/32/521460932.db2.gz HZZUPLTZVCUVAP-ZETCQYMHSA-N 0 3 363.155 2.822 20 5 FFBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000594198654 521465338 /nfs/dbraw/zinc/46/53/38/521465338.db2.gz UIHDLABNHTWJSU-STQMWFEESA-N 0 3 369.368 2.943 20 5 FFBDHN NC(=O)[C@H]1CC[C@H](CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602695563 521482826 /nfs/dbraw/zinc/48/28/26/521482826.db2.gz AHIWKWOGGJHXGX-XYPYZODXSA-N 0 3 359.348 2.995 20 5 FFBDHN O=C1C[C@@H](CNCc2cc(Br)c([N+](=O)[O-])s2)CN1C1CC1 ZINC000602714534 521491157 /nfs/dbraw/zinc/49/11/57/521491157.db2.gz ZIITZKBJTLDZCH-QMMMGPOBSA-N 0 3 374.260 2.519 20 5 FFBDHN Nc1c(NC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc(Cl)cc1[N+](=O)[O-] ZINC000597091993 521498253 /nfs/dbraw/zinc/49/82/53/521498253.db2.gz HULQDHKBQILLKA-YPMHNXCESA-N 0 3 367.837 2.969 20 5 FFBDHN Cc1nccn1-c1ccc([C@@H](C)NCCn2c(C)ncc2[N+](=O)[O-])cc1 ZINC000602807679 521543792 /nfs/dbraw/zinc/54/37/92/521543792.db2.gz ZSZXVEHYJRIHJT-CYBMUJFWSA-N 0 3 354.414 2.945 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000602834009 521560620 /nfs/dbraw/zinc/56/06/20/521560620.db2.gz XZVHRUARNRUXDG-LBPRGKRZSA-N 0 3 358.377 2.775 20 5 FFBDHN CC(C)N1CCCC[C@H]1CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000619864427 521908717 /nfs/dbraw/zinc/90/87/17/521908717.db2.gz OZJKWYBURAEOJN-LPHOPBHVSA-N 0 3 374.441 2.625 20 5 FFBDHN C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000825851946 607448873 /nfs/dbraw/zinc/44/88/73/607448873.db2.gz YPJOJSSPTWYZPK-INIZCTEOSA-N 0 3 371.376 2.629 20 5 FFBDHN CC(C)C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820092469 607467403 /nfs/dbraw/zinc/46/74/03/607467403.db2.gz MILPFZYPUVMGCH-ZDUSSCGKSA-N 0 3 359.434 2.555 20 5 FFBDHN CC(C)C[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820092469 607467405 /nfs/dbraw/zinc/46/74/05/607467405.db2.gz MILPFZYPUVMGCH-ZDUSSCGKSA-N 0 3 359.434 2.555 20 5 FFBDHN CC(C)C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820092469 607467406 /nfs/dbraw/zinc/46/74/06/607467406.db2.gz MILPFZYPUVMGCH-ZDUSSCGKSA-N 0 3 359.434 2.555 20 5 FFBDHN CC(C)C[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820092469 607467408 /nfs/dbraw/zinc/46/74/08/607467408.db2.gz MILPFZYPUVMGCH-ZDUSSCGKSA-N 0 3 359.434 2.555 20 5 FFBDHN CC(C)CC[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000820076574 606199205 /nfs/dbraw/zinc/19/92/05/606199205.db2.gz NLTLGBSGUHJQQJ-UHFFFAOYSA-N 0 3 373.461 2.945 20 5 FFBDHN CC(C)CC[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000820076574 606199206 /nfs/dbraw/zinc/19/92/06/606199206.db2.gz NLTLGBSGUHJQQJ-UHFFFAOYSA-N 0 3 373.461 2.945 20 5 FFBDHN CCCC[N@H+](C)CC1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC000821061030 606645460 /nfs/dbraw/zinc/64/54/60/606645460.db2.gz KLOYSFALBKUFAK-UHFFFAOYSA-N 0 3 373.461 2.723 20 5 FFBDHN CCCC[N@@H+](C)CC1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC000821061030 606645461 /nfs/dbraw/zinc/64/54/61/606645461.db2.gz KLOYSFALBKUFAK-UHFFFAOYSA-N 0 3 373.461 2.723 20 5 FFBDHN C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000824598303 608465087 /nfs/dbraw/zinc/46/50/87/608465087.db2.gz DMOHZWPWSUPLFM-LBPRGKRZSA-N 0 3 354.370 2.505 20 5 FFBDHN C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000824598303 608465090 /nfs/dbraw/zinc/46/50/90/608465090.db2.gz DMOHZWPWSUPLFM-LBPRGKRZSA-N 0 3 354.370 2.505 20 5 FFBDHN CC[C@H]([NH2+]CCOc1ccccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000825140174 608552068 /nfs/dbraw/zinc/55/20/68/608552068.db2.gz JHMGWFFKHMNOOO-INIZCTEOSA-N 0 3 368.397 2.895 20 5 FFBDHN CC[C@H]([NH2+]CCOc1ccccc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000825140174 608552070 /nfs/dbraw/zinc/55/20/70/608552070.db2.gz JHMGWFFKHMNOOO-INIZCTEOSA-N 0 3 368.397 2.895 20 5 FFBDHN CC[C@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000825141837 608552286 /nfs/dbraw/zinc/55/22/86/608552286.db2.gz QOBNTZGDLGUZNO-DLBZAZTESA-N 0 3 368.397 2.549 20 5 FFBDHN CCOC(=O)CC[C@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246607879 729588478 /nfs/dbraw/zinc/58/84/78/729588478.db2.gz HPTORXQLSDURJJ-RHSMWYFYSA-N 0 3 350.415 2.684 20 5 FFBDHN C[C@H](N[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000859825706 730466773 /nfs/dbraw/zinc/46/67/73/730466773.db2.gz NLKKVOJYGGJHJE-YQEZVOHVSA-N 0 3 355.822 2.977 20 5 FFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000866854648 731109198 /nfs/dbraw/zinc/10/91/98/731109198.db2.gz JGCVQWGVOUOELP-QWHCGFSZSA-N 0 3 373.450 2.536 20 5 FFBDHN CC(C)[NH+](CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000725819123 734393273 /nfs/dbraw/zinc/39/32/73/734393273.db2.gz JWSUTOVJBPMOJR-UHFFFAOYSA-N 0 3 363.867 2.645 20 5 FFBDHN CCN(C[C@H]1CCOC1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000764197672 737000895 /nfs/dbraw/zinc/00/08/95/737000895.db2.gz PQEPPNYUUJSXAO-VXGBXAGGSA-N 0 3 355.822 2.934 20 5 FFBDHN CCN1CCCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000910285588 737052803 /nfs/dbraw/zinc/05/28/03/737052803.db2.gz SGUFUOJAIJBKQL-LBPRGKRZSA-N 0 3 367.471 2.882 20 5 FFBDHN CC(C)O[C@]1(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CCOC1 ZINC000922611961 738173115 /nfs/dbraw/zinc/17/31/15/738173115.db2.gz REYCUZHRNZAYDC-INIZCTEOSA-N 0 3 360.357 2.870 20 5 FFBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778247732 738366455 /nfs/dbraw/zinc/36/64/55/738366455.db2.gz OCHOVOWCBJAOKI-QWHCGFSZSA-N 0 3 355.385 2.923 20 5 FFBDHN CN(C)CCN(C(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C1CCCC1 ZINC000778272306 738368437 /nfs/dbraw/zinc/36/84/37/738368437.db2.gz GLMZECDDODLJEN-UHFFFAOYSA-N 0 3 363.443 2.546 20 5 FFBDHN CN(C(=O)CCc1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000932547520 739467691 /nfs/dbraw/zinc/46/76/91/739467691.db2.gz NAKLZJDWDMWEHF-ZDUSSCGKSA-N 0 3 351.834 2.876 20 5 FFBDHN CC(COC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)[N+](=O)[O-] ZINC000813102924 741676938 /nfs/dbraw/zinc/67/69/38/741676938.db2.gz LSCDKRSFMABBOL-QMMMGPOBSA-N 0 3 357.775 2.691 20 5 FFBDHN CC(COC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813104797 741677282 /nfs/dbraw/zinc/67/72/82/741677282.db2.gz HNKUGCRXAPEJIA-VXGBXAGGSA-N 0 3 351.359 2.653 20 5 FFBDHN CC(COC(=O)c1cnn(-c2ncccc2Cl)c1C(F)F)[N+](=O)[O-] ZINC000813108536 741677753 /nfs/dbraw/zinc/67/77/53/741677753.db2.gz ZMLJKCOHPROKES-ZETCQYMHSA-N 0 3 360.704 2.680 20 5 FFBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000829563815 745225846 /nfs/dbraw/zinc/22/58/46/745225846.db2.gz PJFLZIDQJNLGLX-QWHCGFSZSA-N 0 3 351.834 2.876 20 5 FFBDHN CC(C)(C)OC(=O)[C@@]1(C)CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000839106003 746775909 /nfs/dbraw/zinc/77/59/09/746775909.db2.gz ZGIAADXVXYTMFI-QAPCUYQASA-N 0 3 350.415 2.682 20 5 FFBDHN O=[N+]([O-])c1cc(F)c(Cl)cc1N1CCN(CC2CCOCC2)CC1 ZINC000845491238 748268924 /nfs/dbraw/zinc/26/89/24/748268924.db2.gz IKSJCHPYSRBDIF-UHFFFAOYSA-N 0 3 357.813 2.936 20 5 FFBDHN COc1ccc2c(c1)nccc2N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000840309790 971033903 /nfs/dbraw/zinc/03/39/03/971033903.db2.gz FBOASCSPLFADQT-UHFFFAOYSA-N 0 3 365.393 2.873 20 5 FFBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@H](CO)c2cccc(C(F)(F)F)c2)cc1 ZINC000872216716 1013182168 /nfs/dbraw/zinc/18/21/68/1013182168.db2.gz BRBBSCRWMVPCGP-HZPDHXFCSA-N 0 3 370.327 2.970 20 5 FFBDHN Cc1c(C(=O)NCCN2CCC[C@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000126245365 1014431469 /nfs/dbraw/zinc/43/14/69/1014431469.db2.gz WLOIEUPIRRVJOR-NSHDSACASA-N 0 3 364.402 2.582 20 5 FFBDHN O=[N+]([O-])c1cnn(C2CC(N[C@@H]3CCc4ccccc4-n4ccnc43)C2)c1 ZINC000877644094 1014657959 /nfs/dbraw/zinc/65/79/59/1014657959.db2.gz QKCFVCIVDUOSKG-VMBOVVBDSA-N 0 3 364.409 2.958 20 5 FFBDHN COC(=O)c1cc2n(n1)CCC[C@@H]2NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000897984598 982582190 /nfs/dbraw/zinc/58/21/90/982582190.db2.gz BKESHMSGCCRIOA-GBXSZLQWSA-N 0 3 356.382 2.716 20 5 FFBDHN COc1cccc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000194881065 990621092 /nfs/dbraw/zinc/62/10/92/990621092.db2.gz DQQMDZWZZPSJDO-YOEHRIQHSA-N 0 3 369.421 2.854 20 5 FFBDHN COc1ccc(-c2ccc(CNCCO[C@H]3CCOC3)o2)c([N+](=O)[O-])c1 ZINC000922939597 990750059 /nfs/dbraw/zinc/75/00/59/990750059.db2.gz RCJDOBMHYYHJIR-HNNXBMFYSA-N 0 3 362.382 2.759 20 5 FFBDHN O=[N+]([O-])c1ccc2[nH]cc(CCNCc3cn(-c4ccccc4)nn3)c2c1 ZINC000808452762 994122576 /nfs/dbraw/zinc/12/25/76/994122576.db2.gz PXLVCWQADRJQLX-UHFFFAOYSA-N 0 3 362.393 2.989 20 5 FFBDHN CC(C)(C)OC(=O)NC1CC(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000809654844 994568631 /nfs/dbraw/zinc/56/86/31/994568631.db2.gz RDLBKTQKMAPMTI-UHFFFAOYSA-N 0 3 361.402 2.616 20 5 FFBDHN CC(COC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1)[N+](=O)[O-] ZINC000813113821 995625499 /nfs/dbraw/zinc/62/54/99/995625499.db2.gz JQKXOKMBLSOESE-GFCCVEGCSA-N 0 3 358.329 2.624 20 5 FFBDHN Cc1c(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000730786762 997482005 /nfs/dbraw/zinc/48/20/05/997482005.db2.gz RPXFWZCCAYYMKO-RYUDHWBXSA-N 0 3 364.402 2.804 20 5 FFBDHN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000741255619 999716994 /nfs/dbraw/zinc/71/69/94/999716994.db2.gz HOUHEVLPMAGQGA-OXQOHEQNSA-N 0 3 355.438 2.974 20 5 FFBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCO[C@@]3(CCCN(c4ccccc4)C3)C2)C1 ZINC001169023980 1000017796 /nfs/dbraw/zinc/01/77/96/1000017796.db2.gz WHIDRJRIFODCBI-MISYRCLQSA-N 0 3 359.470 2.803 20 5 FFBDHN COC(=O)[C@H]1CCCN([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170356035 1003123369 /nfs/dbraw/zinc/12/33/69/1003123369.db2.gz UTDANAVADDMQJE-KBPBESRZSA-N 0 3 350.415 2.810 20 5 FFBDHN CO[C@]1(C)C[C@@H](NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1(C)C ZINC001170385909 1003138642 /nfs/dbraw/zinc/13/86/42/1003138642.db2.gz KHWIETOWUGQMPI-CZUORRHYSA-N 0 3 355.822 2.980 20 5 FFBDHN COC(=O)C[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C ZINC001198113499 1004499253 /nfs/dbraw/zinc/49/92/53/1004499253.db2.gz YEJAMSWBWXCEDL-ZDUSSCGKSA-N 0 3 371.821 2.754 20 5 FFBDHN COC(=O)C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C ZINC001198113498 1004499648 /nfs/dbraw/zinc/49/96/48/1004499648.db2.gz YEJAMSWBWXCEDL-CYBMUJFWSA-N 0 3 371.821 2.754 20 5 FFBDHN O=C1CCCN1C[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000776605802 1006116947 /nfs/dbraw/zinc/11/69/47/1006116947.db2.gz ONZDHTGJMCQGKR-OALUTQOASA-N 0 3 369.421 2.582 20 5 FFBDHN COc1c([O-])ccc(C[NH2+][C@H](C(C)C)C2(CO)CCCC2)c1[N+](=O)[O-] ZINC001206167199 1032170101 /nfs/dbraw/zinc/17/01/01/1032170101.db2.gz CHEKAKRNRFCLNF-QGZVFWFLSA-N 0 3 352.431 2.976 20 5 FFBDHN C[C@@H]1[C@@H](OC(=O)CCn2cc([N+](=O)[O-])cn2)CCCN1Cc1ccccc1 ZINC000816468352 1007051614 /nfs/dbraw/zinc/05/16/14/1007051614.db2.gz FWSZBMFVKUVYBS-QAPCUYQASA-N 0 3 372.425 2.778 20 5 FFBDHN O=C1CCCN1Cc1ccccc1CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818947280 1007989494 /nfs/dbraw/zinc/98/94/94/1007989494.db2.gz BAGFOSOULCLZQW-IBGZPJMESA-N 0 3 369.421 2.540 20 5 FFBDHN Cc1ccc(O[C@@H]2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)nc1 ZINC000858041146 1008286294 /nfs/dbraw/zinc/28/62/94/1008286294.db2.gz IAURLDABLNMSTM-OAHLLOKOSA-N 0 3 370.409 2.780 20 5 FFBDHN COc1ccc(OCCN2CCC[C@](O)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000859586181 1008579310 /nfs/dbraw/zinc/57/93/10/1008579310.db2.gz IOGGSZBDWWFBDD-HXUWFJFHSA-N 0 3 372.421 2.966 20 5 FFBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860915432 1009197366 /nfs/dbraw/zinc/19/73/66/1009197366.db2.gz FLQYMCIGRIGOKF-HNNXBMFYSA-N 0 3 370.453 2.504 20 5 FFBDHN O=[N+]([O-])c1cc(CN[C@H]2C[C@@H](O)[C@@H](O)C2)ccc1Oc1ccc(F)cc1 ZINC001179603075 1009376337 /nfs/dbraw/zinc/37/63/37/1009376337.db2.gz SULRWCPBYBRGRF-AYGBPOKTSA-N 0 3 362.357 2.500 20 5 FFBDHN O=[N+]([O-])c1cc(CN[C@@H]2C[C@@H](O)[C@@H](O)C2)ccc1Oc1ccc(F)cc1 ZINC001179603076 1009376704 /nfs/dbraw/zinc/37/67/04/1009376704.db2.gz SULRWCPBYBRGRF-FFGGFLGDSA-N 0 3 362.357 2.500 20 5 FFBDHN COc1ccc(CC(=O)N2c3ccccc3[C@H](N)C2(C)C)cc1[N+](=O)[O-] ZINC000867990976 1011140101 /nfs/dbraw/zinc/14/01/01/1011140101.db2.gz QSTSTJKHOMCORD-SFHVURJKSA-N 0 3 355.394 2.971 20 5 FFBDHN CCOC(=O)[C@@H]1CN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCS1 ZINC001172911621 1012122813 /nfs/dbraw/zinc/12/28/13/1012122813.db2.gz DBFRKMKXRPOFFE-RDJZCZTQSA-N 0 3 364.467 2.823 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1CCN(C[C@@H]3CCCO3)CC1)CC2 ZINC001172912170 1012125884 /nfs/dbraw/zinc/12/58/84/1012125884.db2.gz YMFPRZKCWHJYRH-ICSRJNTNSA-N 0 3 359.470 2.639 20 5 FFBDHN C[C@H]1[C@@H](NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CCN1C ZINC000928436246 1018979475 /nfs/dbraw/zinc/97/94/75/1018979475.db2.gz BDTMIPRRJYZQNH-KSSFIOAISA-N 0 3 369.421 2.996 20 5 FFBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000801903452 1019499391 /nfs/dbraw/zinc/49/93/91/1019499391.db2.gz DMPUIJSMTNWVKM-AWEZNQCLSA-N 0 3 372.400 2.711 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CN1Cc1ccccc1 ZINC000801921035 1019513429 /nfs/dbraw/zinc/51/34/29/1019513429.db2.gz WONIHUNTUVTPNN-JSGCOSHPSA-N 0 3 372.400 2.709 20 5 FFBDHN CN(C)CCN(Cc1ccco1)C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000934490978 1021259600 /nfs/dbraw/zinc/25/96/00/1021259600.db2.gz BZBYNJCDAGWOJW-ZWKOTPCHSA-N 0 3 357.410 2.882 20 5 FFBDHN CC(C)c1ccc(CN2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001017544454 1022247137 /nfs/dbraw/zinc/24/71/37/1022247137.db2.gz RMLBVSWVQSIFMB-FCGDIQPGSA-N 0 3 357.454 2.650 20 5 FFBDHN Cc1cc(CN(C)C)cc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c1 ZINC000759745408 1024758744 /nfs/dbraw/zinc/75/87/44/1024758744.db2.gz LPUXMPOIWQZIBV-UHFFFAOYSA-N 0 3 367.409 2.953 20 5 FFBDHN CCN1CCCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)[C@H](C)C1 ZINC001141860917 1027058905 /nfs/dbraw/zinc/05/89/05/1027058905.db2.gz LMBUIVQOXJQCES-CYBMUJFWSA-N 0 3 356.426 2.887 20 5 FFBDHN CN(C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1C(F)(F)F ZINC001154748409 1028435663 /nfs/dbraw/zinc/43/56/63/1028435663.db2.gz WKAWHDXKFBAKFK-UHFFFAOYSA-N 0 3 357.292 2.651 20 5 FFBDHN C[C@H]1[C@@H](NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CCN1C ZINC001155894204 1028964184 /nfs/dbraw/zinc/96/41/84/1028964184.db2.gz SHDSLIHJCBPEPE-IVSAIRAKSA-N 0 3 374.485 2.900 20 5 FFBDHN O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCNC[C@H]1c1cccs1 ZINC001156099539 1029047741 /nfs/dbraw/zinc/04/77/41/1029047741.db2.gz YNKCGPUZMGAUBA-ZETCQYMHSA-N 0 3 360.226 2.904 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2ncn(CN3CCC[C@H]3[C@H]3CCCOC3)n2)c1 ZINC000842616427 1030826255 /nfs/dbraw/zinc/82/62/55/1030826255.db2.gz ORMKIKGISRKJBW-RDJZCZTQSA-N 0 3 357.414 2.702 20 5 FFBDHN Nc1ccc(C(=O)NCCN2CCC3(CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000799741024 1031870247 /nfs/dbraw/zinc/87/02/47/1031870247.db2.gz JPICMFQOWMOEFI-UHFFFAOYSA-N 0 3 360.458 2.953 20 5 FFBDHN CCN1CC[C@H](Oc2ccc(I)c([N+](=O)[O-])c2)C1 ZINC001229952177 1036996467 /nfs/dbraw/zinc/99/64/67/1036996467.db2.gz XHMLLLRECDDGPP-JTQLQIEISA-N 0 3 362.167 2.672 20 5 FFBDHN COc1ccnc(CNC2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)c1 ZINC001256086936 1038370219 /nfs/dbraw/zinc/37/02/19/1038370219.db2.gz IYBAQCLDTDXTKD-UHFFFAOYSA-N 0 3 372.425 2.766 20 5 FFBDHN CCCNC(=O)[C@@H]1CCCCN1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479314 1040744805 /nfs/dbraw/zinc/74/48/05/1040744805.db2.gz XJRXIDSVZYXSAE-IBGZPJMESA-N 0 3 374.485 2.944 20 5 FFBDHN COc1cccnc1O[C@H]1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254611011 1040839226 /nfs/dbraw/zinc/83/92/26/1040839226.db2.gz NVCCHTVFNWVVKD-SJORKVTESA-N 0 3 355.394 2.619 20 5 FFBDHN CCCN(CCN(C)C)C(=O)c1cc(Cl)c([N+](=O)[O-])cc1NC(C)=O ZINC001261259943 1041107207 /nfs/dbraw/zinc/10/72/07/1041107207.db2.gz XOSWSKIKBASFHH-UHFFFAOYSA-N 0 3 370.837 2.620 20 5 FFBDHN O=C1COc2ccccc2N1CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC001261553887 1041307682 /nfs/dbraw/zinc/30/76/82/1041307682.db2.gz MZZASPSMYZWBLY-HNNXBMFYSA-N 0 3 353.378 2.597 20 5 FFBDHN CCCCN(C)C[C@H](C)NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC001309548078 1043430536 /nfs/dbraw/zinc/43/05/36/1043430536.db2.gz PUHFHMNDVWNMBO-AWEZNQCLSA-N 0 3 357.476 2.610 20 5 FFBDHN CS[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1N(C)C ZINC001321060998 1045527629 /nfs/dbraw/zinc/52/76/29/1045527629.db2.gz TWAHAJPIBBPWIF-CHWSQXEVSA-N 0 3 358.851 2.758 20 5 FFBDHN O=C(NC[C@@H]1CCN1C1CCCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001331552416 1047998901 /nfs/dbraw/zinc/99/89/01/1047998901.db2.gz FRJNUOOQOSILLZ-SFHVURJKSA-N 0 3 358.442 2.679 20 5 FFBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CCN(c2cnn(C)c2)C1 ZINC001329642210 1048826286 /nfs/dbraw/zinc/82/62/86/1048826286.db2.gz GEEGCALOIMFIKS-STQMWFEESA-N 0 3 361.471 2.980 20 5 FFBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)CCc1nccc(C(F)(F)F)n1 ZINC001333478082 1048924880 /nfs/dbraw/zinc/92/48/80/1048924880.db2.gz CVYPGGATUBSAJU-UHFFFAOYSA-N 0 3 370.331 2.957 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC001331096760 1049470201 /nfs/dbraw/zinc/47/02/01/1049470201.db2.gz BKJAQVNYJQKZKO-GOSISDBHSA-N 0 3 369.425 2.548 20 5 FFBDHN Cc1ccc([C@@H](C)NC(=O)c2cccc3c2OCCNC3)cc1[N+](=O)[O-] ZINC001340767141 1051120195 /nfs/dbraw/zinc/12/01/95/1051120195.db2.gz KYSBKFMXYCJCBN-CYBMUJFWSA-N 0 3 355.394 2.876 20 5 FFBDHN O=C(c1csc([N+](=O)[O-])c1)N1C[C@H](C[C@@H]2COCCN2)c2ccccc21 ZINC001342758914 1051374856 /nfs/dbraw/zinc/37/48/56/1051374856.db2.gz SUPZEBQRSFFYGJ-GXTWGEPZSA-N 0 3 373.434 2.779 20 5 FFBDHN C[C@@H]1[C@@H](NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CCN1C ZINC001303800980 1051451060 /nfs/dbraw/zinc/45/10/60/1051451060.db2.gz KHPOSVGFDNCRIL-ZBFHGGJFSA-N 0 3 360.458 2.654 20 5 FFBDHN O=C(c1ccc2c(c1)OCCNC2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001341284831 1051643230 /nfs/dbraw/zinc/64/32/30/1051643230.db2.gz NTZDMASDIBBPAK-UHFFFAOYSA-N 0 3 367.405 2.882 20 5 FFBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCc2cccnc2N2CCCCC2)c1 ZINC001335344891 1053306296 /nfs/dbraw/zinc/30/62/96/1053306296.db2.gz HWFQYNTYSZNYQU-SFHVURJKSA-N 0 3 356.426 2.803 20 5 FFBDHN COc1ccc([C@H](CN(C)C)NC[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001335414555 1053346781 /nfs/dbraw/zinc/34/67/81/1053346781.db2.gz YUXPQRAPGUFFDG-RBUKOAKNSA-N 0 3 359.426 2.529 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1ccncc1C(F)(F)F ZINC001335447708 1053368350 /nfs/dbraw/zinc/36/83/50/1053368350.db2.gz IUIZAKXNCSWLGC-GFCCVEGCSA-N 0 3 371.315 2.538 20 5 FFBDHN CN(CCN1CC2(C1)CCOCC2)c1ccnc2c1cccc2[N+](=O)[O-] ZINC001351794022 1055003939 /nfs/dbraw/zinc/00/39/39/1055003939.db2.gz IGKJJIHOIBSXTQ-UHFFFAOYSA-N 0 3 356.426 2.692 20 5 FFBDHN CN(CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)CC(C)(C)C ZINC001544724831 1071682824 /nfs/dbraw/zinc/68/28/24/1071682824.db2.gz IEZGHXOLHQXVFF-UHFFFAOYSA-N 0 3 363.458 2.943 20 5 FFBDHN CN(CC(=O)NCc1ccc(Br)cc1[N+](=O)[O-])CC(C)(C)C ZINC001455244451 1059736979 /nfs/dbraw/zinc/73/69/79/1059736979.db2.gz HOMQNMZFJWQCJU-UHFFFAOYSA-N 0 3 372.263 2.951 20 5 FFBDHN CC(C)(C(=O)OC[C@H]1CCN1C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC001526620117 1061185140 /nfs/dbraw/zinc/18/51/40/1061185140.db2.gz GMTICYXATBKRMF-OAHLLOKOSA-N 0 3 362.426 2.669 20 5 FFBDHN CN(CCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC001526656350 1061206585 /nfs/dbraw/zinc/20/65/85/1061206585.db2.gz PZENGRXWGLQVCU-RBUKOAKNSA-N 0 3 353.422 2.947 20 5 FFBDHN Cc1ccc(Sc2ccc(CNC[C@@H](O)[C@@H](C)O)cc2[N+](=O)[O-])cc1 ZINC001461670186 1061371780 /nfs/dbraw/zinc/37/17/80/1061371780.db2.gz OYJLIIPRFLRAGM-CXAGYDPISA-N 0 3 362.451 2.886 20 5 FFBDHN COC(=O)[C@@H]1C[C@H]1[C@H](C)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001462547116 1061665862 /nfs/dbraw/zinc/66/58/62/1061665862.db2.gz DNKUMILCNNAMAE-KPXOXKRLSA-N 0 3 357.204 2.645 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N(CCCc2ccccc2)CCN(C)C)n1 ZINC001464509360 1062655746 /nfs/dbraw/zinc/65/57/46/1062655746.db2.gz ZSGIMGWQOJQPNP-UHFFFAOYSA-N 0 3 370.453 2.935 20 5 FFBDHN O=[N+]([O-])c1cccc2ncnc(NC[C@@H]3CCCC[C@@H]3N3CCOCC3)c21 ZINC001472878435 1065165818 /nfs/dbraw/zinc/16/58/18/1065165818.db2.gz OHZSCZMRASBWGQ-HOCLYGCPSA-N 0 3 371.441 2.841 20 5 FFBDHN COc1cc(C[NH2+]CCc2ccn(-c3ccccc3)n2)c([N+](=O)[O-])cc1[O-] ZINC001473971773 1065429570 /nfs/dbraw/zinc/42/95/70/1065429570.db2.gz FGPDQKAUOAIZIF-UHFFFAOYSA-N 0 3 368.393 2.827 20 5 FFBDHN CCOC(=O)c1cc(C(=O)Nc2ccc3c(c2)CNC3)cc([N+](=O)[O-])c1 ZINC001578053713 1078434720 /nfs/dbraw/zinc/43/47/20/1078434720.db2.gz OGNZTHJHIMZJFS-UHFFFAOYSA-N 0 3 355.350 2.627 20 5 FFBDHN COc1ccc(NC(=O)CCN2CCC(c3ncco3)CC2)c([N+](=O)[O-])c1 ZINC001560056147 1076218535 /nfs/dbraw/zinc/21/85/35/1076218535.db2.gz ZRZRIMPRYLNMKV-UHFFFAOYSA-N 0 3 374.397 2.800 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)CN1Cc1ccccc1 ZINC001566338700 1076947959 /nfs/dbraw/zinc/94/79/59/1076947959.db2.gz QCLCYRVGQOFNFO-DZGCQCFKSA-N 0 3 354.410 2.570 20 5 FFBDHN CCc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])cc(C)n2)N(C)C)cc1 ZINC001587436108 1079792084 /nfs/dbraw/zinc/79/20/84/1079792084.db2.gz HGPQSQLLGZLYGT-GOSISDBHSA-N 0 3 356.426 2.893 20 5 FFBDHN CCCCCNC(=O)C(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000048717405 249469111 /nfs/dbraw/zinc/46/91/11/249469111.db2.gz PSSJRCPMRLHMQK-ZDUSSCGKSA-N 0 3 356.444 2.513 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000093066148 250014662 /nfs/dbraw/zinc/01/46/62/250014662.db2.gz BYGGTEKDUWWMEG-UHFFFAOYSA-N 0 3 370.409 2.645 20 5 FFBDHN COC(=O)[C@@H]1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000104689646 250182579 /nfs/dbraw/zinc/18/25/79/250182579.db2.gz RSKAIKCCCMRBBH-CQSZACIVSA-N 0 3 359.382 2.677 20 5 FFBDHN CC(=O)NC[C@@H]1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000104679021 250182963 /nfs/dbraw/zinc/18/29/63/250182963.db2.gz TWJVMYCBWWNHKB-HNNXBMFYSA-N 0 3 372.425 2.640 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000163040951 251167622 /nfs/dbraw/zinc/16/76/22/251167622.db2.gz USMHHODQXUKPHN-UHFFFAOYSA-N 0 3 373.413 2.560 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@@H](C)C2CCN(C)CC2)c1C ZINC000272514335 252055897 /nfs/dbraw/zinc/05/58/97/252055897.db2.gz MXTYZUALSQMCPO-AWEZNQCLSA-N 0 3 369.487 2.562 20 5 FFBDHN CN1CC[C@H]2CCN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272637983 252088272 /nfs/dbraw/zinc/08/82/72/252088272.db2.gz XXZFFXKZMQFLEP-WMZOPIPTSA-N 0 3 360.458 2.653 20 5 FFBDHN COc1ccc(NC(=O)NCc2cccc(CN(C)C)c2)cc1[N+](=O)[O-] ZINC000272813289 252138926 /nfs/dbraw/zinc/13/89/26/252138926.db2.gz JUYYWXROHHGSNM-UHFFFAOYSA-N 0 3 358.398 2.987 20 5 FFBDHN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C1=CCN(C)CC1 ZINC000272958177 252175115 /nfs/dbraw/zinc/17/51/15/252175115.db2.gz NGDHFRPWNVUNNM-JTQLQIEISA-N 0 3 368.231 2.738 20 5 FFBDHN CC1(C)C[C@H](NC[C@H]2COC3(CCOCC3)O2)c2cc([N+](=O)[O-])ccc21 ZINC000279169549 256389378 /nfs/dbraw/zinc/38/93/78/256389378.db2.gz UPVGJNRLOJPYGL-YOEHRIQHSA-N 0 3 362.426 2.829 20 5 FFBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279266034 256399705 /nfs/dbraw/zinc/39/97/05/256399705.db2.gz JUXOWPVNCDRGDZ-QMTHXVAHSA-N 0 3 357.813 2.728 20 5 FFBDHN C[C@@H](O)C[C@@H]1CCCCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000286116960 257021204 /nfs/dbraw/zinc/02/12/04/257021204.db2.gz UPBZIHOCPDBYHV-CJNGLKHVSA-N 0 3 350.415 2.977 20 5 FFBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000288169117 257154787 /nfs/dbraw/zinc/15/47/87/257154787.db2.gz AXNHWHDQOJUYDP-KBPBESRZSA-N 0 3 354.410 2.842 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000289314389 257274075 /nfs/dbraw/zinc/27/40/75/257274075.db2.gz BOBCUFSHKZFGLX-UYAOXDASSA-N 0 3 368.437 2.877 20 5 FFBDHN CN1CCN(CC2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)CC2)CC1 ZINC000289376609 257277411 /nfs/dbraw/zinc/27/74/11/257277411.db2.gz BVTIILCYWBSKFJ-UHFFFAOYSA-N 0 3 366.893 2.708 20 5 FFBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H]2CCCS(=O)(=O)C2)o1 ZINC000290231901 257321578 /nfs/dbraw/zinc/32/15/78/257321578.db2.gz YNNFZZQOWHBYDJ-ZDUSSCGKSA-N 0 3 364.423 2.769 20 5 FFBDHN Cc1ccc([C@@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])N2CCCC2)cc1 ZINC000290672185 257351760 /nfs/dbraw/zinc/35/17/60/257351760.db2.gz RHXQDOHPLMVYTI-MRXNPFEDSA-N 0 3 369.425 2.646 20 5 FFBDHN CC[C@@H](NC(=O)Nc1ccnn1CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000297334112 257818544 /nfs/dbraw/zinc/81/85/44/257818544.db2.gz JDUIQJMRBXOSCM-OAHLLOKOSA-N 0 3 360.418 2.626 20 5 FFBDHN CN1CCN(CCC(C)(C)Nc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000302252948 258098122 /nfs/dbraw/zinc/09/81/22/258098122.db2.gz NPADJKPFJGLIIF-UHFFFAOYSA-N 0 3 357.458 2.971 20 5 FFBDHN Cc1cc(N2CCN(CC(C)(C)O)[C@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302512899 258104944 /nfs/dbraw/zinc/10/49/44/258104944.db2.gz TZMZQNRNCAMXAU-CQSZACIVSA-N 0 3 358.442 2.733 20 5 FFBDHN Cc1cc(N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)ncc1[N+](=O)[O-] ZINC000301719977 258064710 /nfs/dbraw/zinc/06/47/10/258064710.db2.gz MDEMIHVKTZXYHK-IRXDYDNUSA-N 0 3 356.426 2.593 20 5 FFBDHN Cc1nc(N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000301736147 258065844 /nfs/dbraw/zinc/06/58/44/258065844.db2.gz VCAKYMNXXNUSGO-SJORKVTESA-N 0 3 356.426 2.593 20 5 FFBDHN CC(C)(C)Oc1cc(N2CCN(C[C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000301868632 258071819 /nfs/dbraw/zinc/07/18/19/258071819.db2.gz FBGZZPDAIDOCPQ-HNNXBMFYSA-N 0 3 363.458 2.931 20 5 FFBDHN CCc1ccc([C@@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)N(C)C)cc1 ZINC000301940916 258076716 /nfs/dbraw/zinc/07/67/16/258076716.db2.gz UIZSNNNQGXXDAO-OAHLLOKOSA-N 0 3 354.414 2.915 20 5 FFBDHN CCN1C[C@@H](C)N(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000330554594 258165581 /nfs/dbraw/zinc/16/55/81/258165581.db2.gz GIDZHFJTJWHNGW-VXGBXAGGSA-N 0 3 354.838 2.601 20 5 FFBDHN CCN1C[C@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000330587741 258166323 /nfs/dbraw/zinc/16/63/23/258166323.db2.gz UATMFTKVUHIFKJ-RYUDHWBXSA-N 0 3 354.838 2.601 20 5 FFBDHN C[C@H]1CCCN(c2ccc(C(=O)N3CC[C@H](N(C)C)C3)cc2[N+](=O)[O-])C1 ZINC000332431009 258230285 /nfs/dbraw/zinc/23/02/85/258230285.db2.gz WSEFSLSJHUGMPS-HOCLYGCPSA-N 0 3 360.458 2.607 20 5 FFBDHN CN(C)C1(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CCCCC1 ZINC000008050554 506617613 /nfs/dbraw/zinc/61/76/13/506617613.db2.gz FRDPYQDTKFQJFU-UHFFFAOYSA-N 0 3 355.460 2.675 20 5 FFBDHN C[C@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N(C)C ZINC000068064456 507097538 /nfs/dbraw/zinc/09/75/38/507097538.db2.gz FGPWYSLFTQNOTM-CQSZACIVSA-N 0 3 356.426 2.887 20 5 FFBDHN O=C(CCN1CCC([C@@H]2CCOC2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000373427514 512325312 /nfs/dbraw/zinc/32/53/12/512325312.db2.gz TXGFINTYXWKIGZ-CQSZACIVSA-N 0 3 365.405 2.811 20 5 FFBDHN CCOc1cc(C(=O)NCCN2CCCC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000046859889 507210300 /nfs/dbraw/zinc/21/03/00/507210300.db2.gz XODXREMPIKAWDL-ZDUSSCGKSA-N 0 3 365.430 2.606 20 5 FFBDHN O=C(CN1CCCN(Cc2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000022421369 507292533 /nfs/dbraw/zinc/29/25/33/507292533.db2.gz DKNHITYDFZWVCN-UHFFFAOYSA-N 0 3 368.437 2.741 20 5 FFBDHN CN(C)C[C@@H](O)COc1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000069120409 507414123 /nfs/dbraw/zinc/41/41/23/507414123.db2.gz YNWZZXQPUBMTSW-MRXNPFEDSA-N 0 3 374.397 2.540 20 5 FFBDHN CN(C)[C@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000069149473 507421891 /nfs/dbraw/zinc/42/18/91/507421891.db2.gz FPTJSXQTWYQUME-GOSISDBHSA-N 0 3 372.425 2.576 20 5 FFBDHN CN1CCC[C@@H](CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000108333330 507887189 /nfs/dbraw/zinc/88/71/89/507887189.db2.gz JLSSEZRXECCMGJ-LBPRGKRZSA-N 0 3 360.439 2.790 20 5 FFBDHN C[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])N(C)C1CC1 ZINC000079804446 508002525 /nfs/dbraw/zinc/00/25/25/508002525.db2.gz YXSHBZFLEHUGJL-VIFPVBQESA-N 0 3 356.220 2.570 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000075942998 508145348 /nfs/dbraw/zinc/14/53/48/508145348.db2.gz FUYUVSNXVSBRFA-UHFFFAOYSA-N 0 3 358.398 2.987 20 5 FFBDHN C[C@@H]1CN(CCCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)O1 ZINC000083028555 508233001 /nfs/dbraw/zinc/23/30/01/508233001.db2.gz GHWFALIZIDJAHT-CHWSQXEVSA-N 0 3 369.849 2.867 20 5 FFBDHN CCc1ccc(C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000085457642 508309423 /nfs/dbraw/zinc/30/94/23/508309423.db2.gz LXUVWFSXHJEKAM-HUUCEWRRSA-N 0 3 363.458 2.776 20 5 FFBDHN CCCN(CCN(C)C)C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000104531364 508338135 /nfs/dbraw/zinc/33/81/35/508338135.db2.gz MQMVBDANUHVQTI-LBPRGKRZSA-N 0 3 357.838 2.816 20 5 FFBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000087135537 508339071 /nfs/dbraw/zinc/33/90/71/508339071.db2.gz ARCLBQHASRDIHD-LSDHHAIUSA-N 0 3 360.458 2.783 20 5 FFBDHN CN(C)CCN(Cc1ccco1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000088250827 508361569 /nfs/dbraw/zinc/36/15/69/508361569.db2.gz LECMBHUYXXRALQ-UHFFFAOYSA-N 0 3 360.414 2.580 20 5 FFBDHN CC1CCC(N2CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)CC2)CC1 ZINC000115481143 508396655 /nfs/dbraw/zinc/39/66/55/508396655.db2.gz YFEWUTDNNLYKJA-UHFFFAOYSA-N 0 3 371.441 2.808 20 5 FFBDHN Cc1nn(C)c(C(=O)Nc2cc(CN3CCCC3)ccc2C)c1[N+](=O)[O-] ZINC000156818330 508481085 /nfs/dbraw/zinc/48/10/85/508481085.db2.gz JICKJFHREFDLOX-UHFFFAOYSA-N 0 3 357.414 2.793 20 5 FFBDHN COc1ccc(-c2ccc(CN[C@@H]3CCN(C(C)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000152946424 508533369 /nfs/dbraw/zinc/53/33/69/508533369.db2.gz NEBUPBDBJCCBFV-CYBMUJFWSA-N 0 3 359.382 2.574 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000137460075 508757019 /nfs/dbraw/zinc/75/70/19/508757019.db2.gz MYFGUFBVIRJSJQ-RDJZCZTQSA-N 0 3 369.421 2.753 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000137460136 508757062 /nfs/dbraw/zinc/75/70/62/508757062.db2.gz MYFGUFBVIRJSJQ-NVXWUHKLSA-N 0 3 369.421 2.753 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(C2CCCCC2)CC1 ZINC000141870553 508819728 /nfs/dbraw/zinc/81/97/28/508819728.db2.gz RMZXQCFXBFUXGQ-UHFFFAOYSA-N 0 3 360.458 2.792 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)c1 ZINC000119833383 508872976 /nfs/dbraw/zinc/87/29/76/508872976.db2.gz HUBOQGXXFKTORG-KDOFPFPSSA-N 0 3 369.421 2.854 20 5 FFBDHN CCN1CCC(NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000155216410 508950428 /nfs/dbraw/zinc/95/04/28/508950428.db2.gz KVVUSOVBKQZELA-UHFFFAOYSA-N 0 3 371.235 2.963 20 5 FFBDHN CCOc1ccc(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)cc1[N+](=O)[O-] ZINC000155314447 508974520 /nfs/dbraw/zinc/97/45/20/508974520.db2.gz IXBDLMPGKZLBMI-KRWDZBQOSA-N 0 3 371.437 2.896 20 5 FFBDHN O=[N+]([O-])c1ccn(C2CCN(CCN3CCCc4ccccc43)CC2)n1 ZINC000369493912 512436442 /nfs/dbraw/zinc/43/64/42/512436442.db2.gz MQLROQFYVSZIQS-UHFFFAOYSA-N 0 3 355.442 2.881 20 5 FFBDHN COc1cc(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)ccc1[N+](=O)[O-] ZINC000161401868 509111589 /nfs/dbraw/zinc/11/15/89/509111589.db2.gz YPAIYEIBFMKJBN-QGZVFWFLSA-N 0 3 357.410 2.945 20 5 FFBDHN CN1CC[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000248055180 509226934 /nfs/dbraw/zinc/22/69/34/509226934.db2.gz OHISILKNUUWCOI-IEBWSBKVSA-N 0 3 355.394 2.535 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266959812 509278367 /nfs/dbraw/zinc/27/83/67/509278367.db2.gz WOOLULUMSVHYMB-CYBMUJFWSA-N 0 3 373.413 2.535 20 5 FFBDHN CN1CCCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3N)cc2)CC1 ZINC000176036401 509286611 /nfs/dbraw/zinc/28/66/11/509286611.db2.gz MEEDCIWEORUCHA-UHFFFAOYSA-N 0 3 369.425 2.571 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000222466919 509317219 /nfs/dbraw/zinc/31/72/19/509317219.db2.gz AUWZGJIEOSNVPK-UHFFFAOYSA-N 0 3 369.421 2.998 20 5 FFBDHN CCc1n[nH]c(C(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000185719534 509322791 /nfs/dbraw/zinc/32/27/91/509322791.db2.gz CXMZWUNPSHEECM-AWEZNQCLSA-N 0 3 371.441 2.617 20 5 FFBDHN CCc1[nH]nc(C(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000185719534 509322794 /nfs/dbraw/zinc/32/27/94/509322794.db2.gz CXMZWUNPSHEECM-AWEZNQCLSA-N 0 3 371.441 2.617 20 5 FFBDHN O=[N+]([O-])c1cnn(CCN[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000192090684 509341127 /nfs/dbraw/zinc/34/11/27/509341127.db2.gz PZYWWZGUIYBSRG-HUUCEWRRSA-N 0 3 354.769 2.704 20 5 FFBDHN C[C@H](CN1CCCCC1)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000182655698 509353795 /nfs/dbraw/zinc/35/37/95/509353795.db2.gz PEHRKCYPBAYTRC-LLVKDONJSA-N 0 3 370.247 2.962 20 5 FFBDHN COCCCNC(=O)C1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182683253 509370181 /nfs/dbraw/zinc/37/01/81/509370181.db2.gz TXJMFPPITQKRQR-HNNXBMFYSA-N 0 3 363.458 2.829 20 5 FFBDHN CCOc1ccc([C@@H](C)NCCN2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000179420341 509434623 /nfs/dbraw/zinc/43/46/23/509434623.db2.gz PNVDOJIVEALWDQ-CQSZACIVSA-N 0 3 351.447 2.755 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000248701138 509442666 /nfs/dbraw/zinc/44/26/66/509442666.db2.gz AFZKVOPMXUGHAO-DNVCBOLYSA-N 0 3 369.421 2.610 20 5 FFBDHN CC(C)c1ccc([C@@H]([NH3+])C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000236742111 509494390 /nfs/dbraw/zinc/49/43/90/509494390.db2.gz SEIXBMAQTHOAOB-ZDUSSCGKSA-N 0 3 369.468 2.758 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000248898503 509536071 /nfs/dbraw/zinc/53/60/71/509536071.db2.gz UEKGQFYWMCULRP-SUMWQHHRSA-N 0 3 357.385 2.984 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000248907185 509539913 /nfs/dbraw/zinc/53/99/13/509539913.db2.gz UYOOUKDRAJTEKV-DNVCBOLYSA-N 0 3 369.421 2.610 20 5 FFBDHN COc1cc(N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000186166048 509555889 /nfs/dbraw/zinc/55/58/89/509555889.db2.gz ULSPNXDCXYNLQI-FQEVSTJZSA-N 0 3 371.437 2.677 20 5 FFBDHN CCOc1cccc(NC[C@@H](C)CN2CCN(CC)CC2)c1[N+](=O)[O-] ZINC000189444975 509579116 /nfs/dbraw/zinc/57/91/16/509579116.db2.gz UQLWVICYXNISEH-OAHLLOKOSA-N 0 3 350.463 2.679 20 5 FFBDHN CCOC(=O)C[C@H](C)N(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000183181438 509644162 /nfs/dbraw/zinc/64/41/62/509644162.db2.gz FTOTUKSTXCIOCB-ZDUSSCGKSA-N 0 3 360.414 2.769 20 5 FFBDHN C[C@H]1CN(CCCCNC(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000267946608 509682401 /nfs/dbraw/zinc/68/24/01/509682401.db2.gz PEOPNXMIOWBIHZ-KBPBESRZSA-N 0 3 350.419 2.606 20 5 FFBDHN CC(C)c1ccc(C(=O)N(CCN(C)C)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000189713864 509716315 /nfs/dbraw/zinc/71/63/15/509716315.db2.gz OVWVNQJAUKPQKA-MRXNPFEDSA-N 0 3 363.458 2.901 20 5 FFBDHN C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000186494273 509738267 /nfs/dbraw/zinc/73/82/67/509738267.db2.gz UFFCAEVQXLPFME-KUHUBIRLSA-N 0 3 356.426 2.814 20 5 FFBDHN CN1CC[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccccc1 ZINC000180146815 509778816 /nfs/dbraw/zinc/77/88/16/509778816.db2.gz KAUABHDMDALFDP-WMZOPIPTSA-N 0 3 365.393 2.646 20 5 FFBDHN C[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C)C1 ZINC000252179142 509834023 /nfs/dbraw/zinc/83/40/23/509834023.db2.gz PQWOJKFYCBQVLY-UONOGXRCSA-N 0 3 351.472 2.924 20 5 FFBDHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc(Cl)ccc1Cl ZINC000189996358 509874635 /nfs/dbraw/zinc/87/46/35/509874635.db2.gz ILBXYGXUVMKABB-BXKDBHETSA-N 0 3 359.213 2.810 20 5 FFBDHN Cn1cc(CNCc2ccc(CO)c(F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171051082 509908787 /nfs/dbraw/zinc/90/87/87/509908787.db2.gz UBQNLGHDFYJUPJ-UHFFFAOYSA-N 0 3 370.384 2.917 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CN1C1CC1 ZINC000177179055 509920473 /nfs/dbraw/zinc/92/04/73/509920473.db2.gz PAJMQTLKAIDHIC-ZIAGYGMSSA-N 0 3 358.442 2.550 20 5 FFBDHN COC(=O)c1cn(C2CCN([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)nn1 ZINC000183723721 509946962 /nfs/dbraw/zinc/94/69/62/509946962.db2.gz MMZFDEOPHUCKGA-ZDUSSCGKSA-N 0 3 373.413 2.679 20 5 FFBDHN CN(C)C1(CN(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000186963182 509974940 /nfs/dbraw/zinc/97/49/40/509974940.db2.gz SFNZVSPBXLHHEF-UHFFFAOYSA-N 0 3 354.838 2.603 20 5 FFBDHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000245515945 509979423 /nfs/dbraw/zinc/97/94/23/509979423.db2.gz FGMUGXDMKMFWSV-YPMHNXCESA-N 0 3 369.368 2.895 20 5 FFBDHN CN1CC[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000245670180 510074071 /nfs/dbraw/zinc/07/40/71/510074071.db2.gz RYKUPPNLPHJJEU-RTBURBONSA-N 0 3 368.437 2.882 20 5 FFBDHN COc1ccc(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000193834356 510091982 /nfs/dbraw/zinc/09/19/82/510091982.db2.gz GCLKSJCVFYVHNG-MRXNPFEDSA-N 0 3 369.421 2.855 20 5 FFBDHN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H](N(C)C)C1 ZINC000245799003 510149725 /nfs/dbraw/zinc/14/97/25/510149725.db2.gz HUDIGWLJTUBFFQ-DGCLKSJQSA-N 0 3 354.838 2.601 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(Cc1ccccn1)C1CC1 ZINC000180868772 510153288 /nfs/dbraw/zinc/15/32/88/510153288.db2.gz WWEZXGZHPNIZJD-UHFFFAOYSA-N 0 3 370.409 2.992 20 5 FFBDHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000174661879 510236312 /nfs/dbraw/zinc/23/63/12/510236312.db2.gz FBLCOCZNEHSMJW-YGRLFVJLSA-N 0 3 358.320 2.522 20 5 FFBDHN C[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000265907822 510292756 /nfs/dbraw/zinc/29/27/56/510292756.db2.gz AISVKMWEVRMDJN-PVRXDPTQSA-N 0 3 367.833 2.978 20 5 FFBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN2CCCC[C@H]2C1 ZINC000246186648 510347232 /nfs/dbraw/zinc/34/72/32/510347232.db2.gz LLPXYKKWZXEULX-CJNGLKHVSA-N 0 3 357.414 2.876 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@@H]3CN3CCCC3)o2)cc1 ZINC000171773387 510360864 /nfs/dbraw/zinc/36/08/64/510360864.db2.gz HKOJPYCCLSDFCW-MRXNPFEDSA-N 0 3 357.414 2.705 20 5 FFBDHN Cc1cc([N+](=O)[O-])cnc1NCc1ccccc1CN1CCC(O)CC1 ZINC000269361530 510361818 /nfs/dbraw/zinc/36/18/18/510361818.db2.gz PNDCCDMYTADBBK-UHFFFAOYSA-N 0 3 356.426 2.867 20 5 FFBDHN Cc1ccc([C@H](C)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000177999463 510368433 /nfs/dbraw/zinc/36/84/33/510368433.db2.gz DYHCLHUJBNAYLA-LBPRGKRZSA-N 0 3 369.468 2.594 20 5 FFBDHN CCN(CC)CCCN(CC)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000190966050 510438050 /nfs/dbraw/zinc/43/80/50/510438050.db2.gz QHNSUZQMVNKBDW-UHFFFAOYSA-N 0 3 363.505 2.618 20 5 FFBDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000190968705 510440484 /nfs/dbraw/zinc/44/04/84/510440484.db2.gz YGCSEJFKXWYWCR-UHFFFAOYSA-N 0 3 356.426 2.901 20 5 FFBDHN CC[C@H](NCCN1C(=O)NC2(CCCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000181542689 510465414 /nfs/dbraw/zinc/46/54/14/510465414.db2.gz BFXXDLVVRAYXKC-HNNXBMFYSA-N 0 3 360.414 2.500 20 5 FFBDHN CN(C)CCn1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n1 ZINC000194681216 510477792 /nfs/dbraw/zinc/47/77/92/510477792.db2.gz HEWZIQZAXDOPTM-UHFFFAOYSA-N 0 3 359.411 2.820 20 5 FFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000175130749 510497726 /nfs/dbraw/zinc/49/77/26/510497726.db2.gz OMLJYRJFIKNSHO-ZBFHGGJFSA-N 0 3 369.487 2.562 20 5 FFBDHN CC(C)C[C@@H](CN(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181811308 510606993 /nfs/dbraw/zinc/60/69/93/510606993.db2.gz LUUYJERAWIAMDO-NSHDSACASA-N 0 3 359.373 2.902 20 5 FFBDHN Cc1c(Br)cc(C(=O)N2CCC[C@H]2CN(C)C)cc1[N+](=O)[O-] ZINC000269979828 510627179 /nfs/dbraw/zinc/62/71/79/510627179.db2.gz NYQYMSPMTVTGCV-LBPRGKRZSA-N 0 3 370.247 2.832 20 5 FFBDHN C[C@@H](NC(=O)CC1(N2CCOCC2)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000172414784 510716009 /nfs/dbraw/zinc/71/60/09/510716009.db2.gz NIVAQQANFHFAJN-OAHLLOKOSA-N 0 3 361.442 2.807 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CN(C)Cc2ccccc2)c1 ZINC000182063627 510735613 /nfs/dbraw/zinc/73/56/13/510735613.db2.gz SCMKMMVPWNFORQ-CQSZACIVSA-N 0 3 357.410 2.854 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(c3ccncc3)CC2)c1 ZINC000191673640 510781751 /nfs/dbraw/zinc/78/17/51/510781751.db2.gz LCLZRQRBBHGBIH-GOSISDBHSA-N 0 3 357.410 2.609 20 5 FFBDHN C[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000182177076 510797348 /nfs/dbraw/zinc/79/73/48/510797348.db2.gz CXSCMZHJZZCMHP-YPMHNXCESA-N 0 3 352.337 2.964 20 5 FFBDHN COC(=O)[C@H]1CCCC[C@@]1(C)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000270433157 510807791 /nfs/dbraw/zinc/80/77/91/510807791.db2.gz JNSFWKBMNHFDSB-CRAIPNDOSA-N 0 3 364.398 2.673 20 5 FFBDHN CN(C)Cc1ccc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000188524457 510810462 /nfs/dbraw/zinc/81/04/62/510810462.db2.gz CJLOFGACSOXOMY-UHFFFAOYSA-N 0 3 355.394 2.560 20 5 FFBDHN C[C@H]1C[C@@H](N2CCCC2)CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000285544412 510949088 /nfs/dbraw/zinc/94/90/88/510949088.db2.gz LVDQHTCNXILCFN-XJKSGUPXSA-N 0 3 357.414 2.703 20 5 FFBDHN CN(C)CCn1nccc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000297449202 510950103 /nfs/dbraw/zinc/95/01/03/510950103.db2.gz QCXFQOYDHBQXPV-UHFFFAOYSA-N 0 3 372.429 2.549 20 5 FFBDHN CS(=O)(=O)C1(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000285584624 510966366 /nfs/dbraw/zinc/96/63/66/510966366.db2.gz HMORTCVYXYCLNO-INIZCTEOSA-N 0 3 352.456 2.919 20 5 FFBDHN Cn1cc(N2CC[C@@H](NCc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2)cn1 ZINC000361010790 510978704 /nfs/dbraw/zinc/97/87/04/510978704.db2.gz GEANUDKDKUFRSC-CQSZACIVSA-N 0 3 367.409 2.957 20 5 FFBDHN O=[N+]([O-])c1ccc(Cl)c(CNC[C@H]2CCC3(CCOCC3)[C@@H]2O)c1 ZINC000282647684 511059116 /nfs/dbraw/zinc/05/91/16/511059116.db2.gz HOGYQJHUUKEUAO-MLGOLLRUSA-N 0 3 354.834 2.906 20 5 FFBDHN COc1cc(CNC[C@@H](C)CCCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000294794283 511179236 /nfs/dbraw/zinc/17/92/36/511179236.db2.gz MGDLWHBIJRIARA-NSHDSACASA-N 0 3 362.373 2.746 20 5 FFBDHN CCOC(=O)[C@H](C)[C@@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000283019866 511202052 /nfs/dbraw/zinc/20/20/52/511202052.db2.gz GVDOIGVCKIWQFR-MXWKQRLJSA-N 0 3 371.821 2.753 20 5 FFBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CCN1C ZINC000294934727 511226726 /nfs/dbraw/zinc/22/67/26/511226726.db2.gz LEVDQBITTNXWDI-DOMZBBRYSA-N 0 3 357.414 2.540 20 5 FFBDHN COc1cc(CNCC2([C@@H](C)CCO)CCC2)c([N+](=O)[O-])cc1OC ZINC000271796856 511327308 /nfs/dbraw/zinc/32/73/08/511327308.db2.gz IALLEZNGOBYVHG-ZDUSSCGKSA-N 0 3 352.431 2.890 20 5 FFBDHN O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000298851796 511430505 /nfs/dbraw/zinc/43/05/05/511430505.db2.gz DANDMRLFRBRXAP-UHFFFAOYSA-N 0 3 362.817 2.971 20 5 FFBDHN CN(C)CCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)C1CCCCC1 ZINC000283660823 511451553 /nfs/dbraw/zinc/45/15/53/511451553.db2.gz DSSPEDJZGQCIJZ-UHFFFAOYSA-N 0 3 352.410 2.653 20 5 FFBDHN C[C@@H](NCc1cccc(CS(C)(=O)=O)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284248751 511656060 /nfs/dbraw/zinc/65/60/60/511656060.db2.gz VLMBKWXRJWCTPN-GFCCVEGCSA-N 0 3 363.439 2.572 20 5 FFBDHN CN(C)CC1(NC(=O)c2cccc([N+](=O)[O-])c2Br)CCC1 ZINC000281034835 511697223 /nfs/dbraw/zinc/69/72/23/511697223.db2.gz IHDQLIJYNKRDJO-UHFFFAOYSA-N 0 3 356.220 2.571 20 5 FFBDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000296454872 511749344 /nfs/dbraw/zinc/74/93/44/511749344.db2.gz XEHXFRIQFINIDC-YZENIEGJSA-N 0 3 367.833 2.978 20 5 FFBDHN CN(C(=O)[C@@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000281180444 511749817 /nfs/dbraw/zinc/74/98/17/511749817.db2.gz QUBBSDCGTJHGGV-VQIMIIECSA-N 0 3 369.421 2.613 20 5 FFBDHN CNc1c(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000312569161 511785516 /nfs/dbraw/zinc/78/55/16/511785516.db2.gz ZERIVULDVMFDQS-MRXNPFEDSA-N 0 3 368.437 2.888 20 5 FFBDHN CNc1c(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000312569159 511785819 /nfs/dbraw/zinc/78/58/19/511785819.db2.gz ZERIVULDVMFDQS-INIZCTEOSA-N 0 3 368.437 2.888 20 5 FFBDHN Cc1cc(N2CCC[C@@H](N[C@@H](C)c3ccc(N)c([N+](=O)[O-])c3)C2)n(C)n1 ZINC000284926105 511931179 /nfs/dbraw/zinc/93/11/79/511931179.db2.gz DHNYFQAZJXGZNU-DZGCQCFKSA-N 0 3 358.446 2.539 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000364404782 512106891 /nfs/dbraw/zinc/10/68/91/512106891.db2.gz PCFCPYZMRVSISL-WMLDXEAASA-N 0 3 354.410 2.630 20 5 FFBDHN Cc1c(C(=O)N2CCCC23CCN(C)CC3)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000364420378 512108018 /nfs/dbraw/zinc/10/80/18/512108018.db2.gz ICLPFCHZCPCZRZ-UHFFFAOYSA-N 0 3 362.386 2.512 20 5 FFBDHN O=C(CN[C@H](c1ccccc1)[C@H]1CCOC1)Nc1ccccc1[N+](=O)[O-] ZINC000371556543 512464172 /nfs/dbraw/zinc/46/41/72/512464172.db2.gz ZFDUCLOBYZYLCX-HNAYVOBHSA-N 0 3 355.394 2.901 20 5 FFBDHN Cc1c(NC(=O)[C@H](C)N2C[C@@H](N3CCCC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000375784127 512505261 /nfs/dbraw/zinc/50/52/61/512505261.db2.gz GTNLCDAHAVPPOF-BPUTZDHNSA-N 0 3 360.458 2.789 20 5 FFBDHN O=C(CCNC1(c2ccc3c(c2)OCO3)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000411485389 512658091 /nfs/dbraw/zinc/65/80/91/512658091.db2.gz QJRCCLXXKJNIMA-UHFFFAOYSA-N 0 3 369.377 2.931 20 5 FFBDHN CO[C@@](C)([C@@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000411970063 512894696 /nfs/dbraw/zinc/89/46/96/512894696.db2.gz MSBMQICXAJGTDS-HWPZZCPQSA-N 0 3 355.822 2.980 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H](Oc3ccccc3)C2)c1 ZINC000411979310 512900021 /nfs/dbraw/zinc/90/00/21/512900021.db2.gz CWQQAUXEAIFCSC-XLIONFOSSA-N 0 3 372.421 2.878 20 5 FFBDHN COc1ccc(NC(=O)CN[C@@H]2CCc3ccccc3OC2)c([N+](=O)[O-])c1 ZINC000374620766 512921334 /nfs/dbraw/zinc/92/13/34/512921334.db2.gz ODOGKIMEVTUSOP-CQSZACIVSA-N 0 3 371.393 2.525 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(NCC2(O)CCN(Cc3ccccc3)CC2)n1 ZINC000397595089 512947702 /nfs/dbraw/zinc/94/77/02/512947702.db2.gz LLCFGBCUYMADAR-UHFFFAOYSA-N 0 3 356.426 2.737 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000398001238 512951321 /nfs/dbraw/zinc/95/13/21/512951321.db2.gz NNIBHMPPZRTSJT-RHSMWYFYSA-N 0 3 368.437 2.817 20 5 FFBDHN C[C@@H]1C[C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000397976616 512951604 /nfs/dbraw/zinc/95/16/04/512951604.db2.gz KWJZIHPNMNUTDR-CZUORRHYSA-N 0 3 354.410 2.769 20 5 FFBDHN CN(c1ccccc1)c1ccc(CNCCn2cncn2)cc1[N+](=O)[O-] ZINC000409522654 513117778 /nfs/dbraw/zinc/11/77/78/513117778.db2.gz QKTRNJONKHMQOX-UHFFFAOYSA-N 0 3 352.398 2.744 20 5 FFBDHN COCCN(C)CC[C@@H](Nc1ncc([N+](=O)[O-])c(C)n1)c1ccccc1 ZINC000450314768 513138345 /nfs/dbraw/zinc/13/83/45/513138345.db2.gz NJQRYMUGZFLYHL-MRXNPFEDSA-N 0 3 359.430 2.815 20 5 FFBDHN Cc1cccc(CN(CCN(C)C)C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])c1 ZINC000433760269 513144444 /nfs/dbraw/zinc/14/44/44/513144444.db2.gz RNVAUKNBDJSQJZ-UHFFFAOYSA-N 0 3 373.457 2.954 20 5 FFBDHN Cc1cccc(CN(CCN(C)C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c1 ZINC000433760269 513144450 /nfs/dbraw/zinc/14/44/50/513144450.db2.gz RNVAUKNBDJSQJZ-UHFFFAOYSA-N 0 3 373.457 2.954 20 5 FFBDHN C[C@@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000450411859 513182963 /nfs/dbraw/zinc/18/29/63/513182963.db2.gz OGXLDJGAZZZFAD-CRAIPNDOSA-N 0 3 369.469 2.605 20 5 FFBDHN C[C@@H]1C[C@H]1N1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H](C)C1 ZINC000429012726 513253784 /nfs/dbraw/zinc/25/37/84/513253784.db2.gz VBJJGKZGCYJVBE-CKEIUWERSA-N 0 3 371.441 2.807 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(CN(C)C)cc1 ZINC000446659211 513308819 /nfs/dbraw/zinc/30/88/19/513308819.db2.gz UKNGQHGJTGEQLU-UHFFFAOYSA-N 0 3 356.382 2.542 20 5 FFBDHN Nc1c(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000425007761 513366687 /nfs/dbraw/zinc/36/66/87/513366687.db2.gz NTEJORWCSBZYGW-MAUKXSAKSA-N 0 3 366.421 2.524 20 5 FFBDHN O=[N+]([O-])c1cnc(NCc2ccccc2CN2CCC(O)CC2)c(F)c1 ZINC000413171374 513498483 /nfs/dbraw/zinc/49/84/83/513498483.db2.gz PVVNITQOANGCBO-UHFFFAOYSA-N 0 3 360.389 2.698 20 5 FFBDHN C[C@@H]1CN(C2CCOCC2)CCN1c1ccc([N+](=O)[O-])c2ncccc21 ZINC000413260546 513553563 /nfs/dbraw/zinc/55/35/63/513553563.db2.gz FHCZJRRAVUNXKU-CQSZACIVSA-N 0 3 356.426 2.833 20 5 FFBDHN O=C(NC[C@@H]1CCCCN1C1CC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451203834 513586144 /nfs/dbraw/zinc/58/61/44/513586144.db2.gz RDFHZEKTSLLPTL-INIZCTEOSA-N 0 3 369.425 2.527 20 5 FFBDHN O=C(NC[C@H]1CCCCN1C1CC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451203835 513587325 /nfs/dbraw/zinc/58/73/25/513587325.db2.gz RDFHZEKTSLLPTL-MRXNPFEDSA-N 0 3 369.425 2.527 20 5 FFBDHN O=[N+]([O-])c1cc(F)c(CN[C@H](C2CCOCC2)C2(CO)CCC2)c(F)c1 ZINC000425531867 513624112 /nfs/dbraw/zinc/62/41/12/513624112.db2.gz ATYYKBBKJPFTKT-QGZVFWFLSA-N 0 3 370.396 2.920 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 ZINC000442093144 513666604 /nfs/dbraw/zinc/66/66/04/513666604.db2.gz GZTSQHUJQJBKFJ-KCQAQPDRSA-N 0 3 369.487 2.548 20 5 FFBDHN COc1ccc(OCCN2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000451339693 513686705 /nfs/dbraw/zinc/68/67/05/513686705.db2.gz IWEKXYVQTYSJTD-JFIYKMOQSA-N 0 3 364.442 2.998 20 5 FFBDHN CO[C@]1(C)C[C@@H](NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000451483450 513777620 /nfs/dbraw/zinc/77/76/20/513777620.db2.gz FCRUNOBTXYMCNJ-CZUORRHYSA-N 0 3 355.822 2.980 20 5 FFBDHN CO[C@@]1(C)C[C@@H](NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000451483449 513777728 /nfs/dbraw/zinc/77/77/28/513777728.db2.gz FCRUNOBTXYMCNJ-CJNGLKHVSA-N 0 3 355.822 2.980 20 5 FFBDHN CN(C(=O)CN1CC2(CCOCC2)[C@@H]2CCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000451624841 513871998 /nfs/dbraw/zinc/87/19/98/513871998.db2.gz GLLURNDOCFMDSE-MSOLQXFVSA-N 0 3 373.453 2.839 20 5 FFBDHN CN(C)C[C@@H]1CCc2ccccc2N1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000436718672 513955720 /nfs/dbraw/zinc/95/57/20/513955720.db2.gz FRUGGDYHDVNSHA-KRWDZBQOSA-N 0 3 369.421 2.883 20 5 FFBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1cccc(NS(C)(=O)=O)c1 ZINC000449068263 514058227 /nfs/dbraw/zinc/05/82/27/514058227.db2.gz RMXZJOVIHOGZRJ-ZDUSSCGKSA-N 0 3 363.439 2.687 20 5 FFBDHN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000420342837 514102563 /nfs/dbraw/zinc/10/25/63/514102563.db2.gz YGPKSRNQGSZGQN-KXBFYZLASA-N 0 3 368.437 2.877 20 5 FFBDHN COc1ccccc1N1CC[C@H](N[C@@H](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000449191978 514106319 /nfs/dbraw/zinc/10/63/19/514106319.db2.gz PXXGZWLSIOAHII-HOCLYGCPSA-N 0 3 369.421 2.930 20 5 FFBDHN O=C(CN1CCNC[C@@H]1c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420408153 514136649 /nfs/dbraw/zinc/13/66/49/514136649.db2.gz PAQOKRQKGGQOPM-QGZVFWFLSA-N 0 3 374.828 2.833 20 5 FFBDHN CCO[C@@H]1CCCC[C@H]1N[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000452037140 514152150 /nfs/dbraw/zinc/15/21/50/514152150.db2.gz UHLGTNPWUQCIGP-XGWLTEMNSA-N 0 3 365.430 2.868 20 5 FFBDHN CCN1CCN(C[C@H](C)CNc2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432346660 514167826 /nfs/dbraw/zinc/16/78/26/514167826.db2.gz LSEVFTFPFGUJGY-OAHLLOKOSA-N 0 3 357.458 2.829 20 5 FFBDHN CCOC(=O)[C@@H]1CN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC12COC2 ZINC000449364321 514181559 /nfs/dbraw/zinc/18/15/59/514181559.db2.gz NSSKLQVIDNQGMD-ROOCWEIGSA-N 0 3 360.410 2.510 20 5 FFBDHN CCOC(=O)[C@H]1CN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC12COC2 ZINC000449364322 514181692 /nfs/dbraw/zinc/18/16/92/514181692.db2.gz NSSKLQVIDNQGMD-UBWHZCOUSA-N 0 3 360.410 2.510 20 5 FFBDHN C[C@@H](c1ccccc1)N1CC[C@@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420581455 514189996 /nfs/dbraw/zinc/18/99/96/514189996.db2.gz GZLHVIRLYSEKAS-DZGCQCFKSA-N 0 3 354.410 2.941 20 5 FFBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000423672526 514198197 /nfs/dbraw/zinc/19/81/97/514198197.db2.gz OCCLCKNHIBJRRB-HNNXBMFYSA-N 0 3 355.394 2.610 20 5 FFBDHN COc1cc(C(=O)NC[C@@H]2NCCc3ccccc32)cc([N+](=O)[O-])c1C ZINC000423677070 514198936 /nfs/dbraw/zinc/19/89/36/514198936.db2.gz RPRWUDBGFDTIPE-INIZCTEOSA-N 0 3 355.394 2.529 20 5 FFBDHN COc1ccc(NC(=O)NCCN2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000444935904 514371807 /nfs/dbraw/zinc/37/18/07/514371807.db2.gz IFZIOEYASDEHSX-UHFFFAOYSA-N 0 3 350.419 2.847 20 5 FFBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1(N(C)C)CCC1 ZINC000438524518 514395493 /nfs/dbraw/zinc/39/54/93/514395493.db2.gz UUNUWXFUSWZOQL-LLVKDONJSA-N 0 3 355.822 2.616 20 5 FFBDHN COCCN(CCOc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCCSC1 ZINC000433192934 514416694 /nfs/dbraw/zinc/41/66/94/514416694.db2.gz IFTXCTFRBXEGLO-AWEZNQCLSA-N 0 3 370.471 2.826 20 5 FFBDHN O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000428542446 514494295 /nfs/dbraw/zinc/49/42/95/514494295.db2.gz RERUVNOKXGTDJB-HNNXBMFYSA-N 0 3 359.357 2.553 20 5 FFBDHN COc1c(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)cccc1[N+](=O)[O-] ZINC000475027967 514529875 /nfs/dbraw/zinc/52/98/75/514529875.db2.gz JYVRNERXLKMRIW-HNNXBMFYSA-N 0 3 357.410 2.506 20 5 FFBDHN CN(C)CCOc1cc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000497696680 514600633 /nfs/dbraw/zinc/60/06/33/514600633.db2.gz PDWBSFFQCTZZFX-UHFFFAOYSA-N 0 3 372.425 2.847 20 5 FFBDHN CCN(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)c1cccc(OC)c1 ZINC000497769878 514631335 /nfs/dbraw/zinc/63/13/35/514631335.db2.gz ZZXIUIQNJDWTQT-KRWDZBQOSA-N 0 3 374.441 2.755 20 5 FFBDHN COc1cc(N2CC[C@H](OCCN3CCCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000508256513 514722853 /nfs/dbraw/zinc/72/28/53/514722853.db2.gz HWTPOLOZYWTSJC-AWEZNQCLSA-N 0 3 367.421 2.824 20 5 FFBDHN COC(=O)[C@@H]1CCN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000508594181 514833991 /nfs/dbraw/zinc/83/39/91/514833991.db2.gz IIIYBNQETKTCCU-GFCCVEGCSA-N 0 3 360.366 2.858 20 5 FFBDHN CNc1nc(C(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)ccc1[N+](=O)[O-] ZINC000456025429 514910561 /nfs/dbraw/zinc/91/05/61/514910561.db2.gz MIGNXTKBQYQXDB-CXAGYDPISA-N 0 3 371.441 2.761 20 5 FFBDHN CC[C@@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])N1CCCC1 ZINC000480400308 514944579 /nfs/dbraw/zinc/94/45/79/514944579.db2.gz BYZUEPGBURMOMK-HNNXBMFYSA-N 0 3 371.441 2.846 20 5 FFBDHN CN(Cc1ccccc1)C1(CNC(=O)c2c(N)cccc2[N+](=O)[O-])CCC1 ZINC000456122948 514966561 /nfs/dbraw/zinc/96/65/61/514966561.db2.gz PIWSASUAVIRVNY-UHFFFAOYSA-N 0 3 368.437 2.962 20 5 FFBDHN CCN1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462441382 515053510 /nfs/dbraw/zinc/05/35/10/515053510.db2.gz NOOORFQYKFPPEL-INIZCTEOSA-N 0 3 356.426 2.887 20 5 FFBDHN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CCN1C ZINC000462480373 515074768 /nfs/dbraw/zinc/07/47/68/515074768.db2.gz LUIANQHGYDWVFD-GOEBONIOSA-N 0 3 356.426 2.885 20 5 FFBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C3CC3)C2)nc1OCc1ccccc1 ZINC000462484573 515077011 /nfs/dbraw/zinc/07/70/11/515077011.db2.gz AJOIDSJOYFVGMQ-OAHLLOKOSA-N 0 3 354.410 2.639 20 5 FFBDHN CN(C)Cc1cccc(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC000485652248 515127178 /nfs/dbraw/zinc/12/71/78/515127178.db2.gz GNMYYMBKEASROX-UHFFFAOYSA-N 0 3 363.364 2.794 20 5 FFBDHN C[C@H](NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000467834308 515142330 /nfs/dbraw/zinc/14/23/30/515142330.db2.gz QLPVBRUPAPDUKI-BUXKBTBVSA-N 0 3 368.393 2.500 20 5 FFBDHN CCOc1cccc(N2CCN(c3ccncc3OC)CC2)c1[N+](=O)[O-] ZINC000481036643 515182634 /nfs/dbraw/zinc/18/26/34/515182634.db2.gz KVAQUWYDMIAQBB-UHFFFAOYSA-N 0 3 358.398 2.724 20 5 FFBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CCN(C(C)C)C(C)C ZINC000504002005 515193979 /nfs/dbraw/zinc/19/39/79/515193979.db2.gz BANWGZJEUPRBFO-UHFFFAOYSA-N 0 3 357.476 2.643 20 5 FFBDHN C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CCCN1C ZINC000462701954 515198998 /nfs/dbraw/zinc/19/89/98/515198998.db2.gz PEYSKMCVWKYGFH-HOCLYGCPSA-N 0 3 356.426 2.885 20 5 FFBDHN CC[C@H](C)N1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC1 ZINC000456524590 515235735 /nfs/dbraw/zinc/23/57/35/515235735.db2.gz PTKXEAXBJLDEHH-ZDUSSCGKSA-N 0 3 357.414 2.541 20 5 FFBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000468483330 515380027 /nfs/dbraw/zinc/38/00/27/515380027.db2.gz JWKGTNNGYXWMLT-QGZVFWFLSA-N 0 3 371.441 2.631 20 5 FFBDHN O=[N+]([O-])c1ccc(CN2CCC(CCN3CCOCC3)CC2)c(F)c1 ZINC000491237387 515400803 /nfs/dbraw/zinc/40/08/03/515400803.db2.gz CMBZVIUWDPBAAC-UHFFFAOYSA-N 0 3 351.422 2.668 20 5 FFBDHN CN1C[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000481757049 515453407 /nfs/dbraw/zinc/45/34/07/515453407.db2.gz WQJCCCYRSJYVQQ-IRXDYDNUSA-N 0 3 369.421 2.578 20 5 FFBDHN C[C@@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000491978285 515487010 /nfs/dbraw/zinc/48/70/10/515487010.db2.gz JHLAQOUXOHNYKB-RHSMWYFYSA-N 0 3 366.893 2.706 20 5 FFBDHN COc1cc(CN[C@H]2CCN(c3ccccc3F)C2)c([N+](=O)[O-])cc1O ZINC000492081933 515500199 /nfs/dbraw/zinc/50/01/99/515500199.db2.gz MIDZRCBVNZRWLI-ZDUSSCGKSA-N 0 3 361.373 2.817 20 5 FFBDHN Cc1ccc([C@H](CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000463518629 515533215 /nfs/dbraw/zinc/53/32/15/515533215.db2.gz WVXHYFWALSJJKK-IBGZPJMESA-N 0 3 370.453 2.759 20 5 FFBDHN COc1cc(CN2CCN(C)[C@@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000505592545 515601117 /nfs/dbraw/zinc/60/11/17/515601117.db2.gz TUGKJRPHZSOTBQ-RYUDHWBXSA-N 0 3 373.400 2.772 20 5 FFBDHN CCOc1cc(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000457135110 515679537 /nfs/dbraw/zinc/67/95/37/515679537.db2.gz VZOIJTNUSJTHPC-CYBMUJFWSA-N 0 3 365.430 2.557 20 5 FFBDHN C[C@@H]1CCCN(c2ccc(C(=O)N3C[C@H](C)NC[C@@H]3C)cc2[N+](=O)[O-])C1 ZINC000505880599 515708791 /nfs/dbraw/zinc/70/87/91/515708791.db2.gz WGHCUIOPMJUPIU-ILXRZTDVSA-N 0 3 360.458 2.654 20 5 FFBDHN Cc1c([C@@H](C)NCCc2nnnn2-c2ccccc2)cccc1[N+](=O)[O-] ZINC000510948124 515724262 /nfs/dbraw/zinc/72/42/62/515724262.db2.gz HWFBOPDNGILWBX-CQSZACIVSA-N 0 3 352.398 2.772 20 5 FFBDHN C[C@H]1[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000494061264 515724423 /nfs/dbraw/zinc/72/44/23/515724423.db2.gz VKMFQDBXLXJQJW-DOTOQJQBSA-N 0 3 368.437 2.786 20 5 FFBDHN Cc1ccc2nc(CN(C)CCc3ccccc3[N+](=O)[O-])cc(=O)n2c1 ZINC000511095486 515777160 /nfs/dbraw/zinc/77/71/60/515777160.db2.gz KGLYAGFFONXBCT-UHFFFAOYSA-N 0 3 352.394 2.586 20 5 FFBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c(F)c1 ZINC000478387037 515802224 /nfs/dbraw/zinc/80/22/24/515802224.db2.gz QXFLKTQZQMAGTI-FXAWDEMLSA-N 0 3 373.428 2.707 20 5 FFBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000494386539 515826913 /nfs/dbraw/zinc/82/69/13/515826913.db2.gz NRJHDLZJNSYKCA-MKBNYLNASA-N 0 3 350.394 2.928 20 5 FFBDHN Cc1cnc(N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000474148870 515905305 /nfs/dbraw/zinc/90/53/05/515905305.db2.gz YCOSAJJHSDUPBV-SJORKVTESA-N 0 3 356.426 2.593 20 5 FFBDHN CCN1CCN([C@@H]2CCN(C/C(C)=C/c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000470169872 516158315 /nfs/dbraw/zinc/15/83/15/516158315.db2.gz LFPLDUYDOIDYMO-XMJIKXADSA-N 0 3 358.486 2.710 20 5 FFBDHN COC(=O)c1cc(NC[C@@]2(N(C)C)CCSC2)cc(C)c1[N+](=O)[O-] ZINC000474772287 516188079 /nfs/dbraw/zinc/18/80/79/516188079.db2.gz FFGIBCUAZKXXPT-INIZCTEOSA-N 0 3 353.444 2.539 20 5 FFBDHN COc1c(C(=O)NCCCN2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000474776497 516190818 /nfs/dbraw/zinc/19/08/18/516190818.db2.gz RXSBWQDAQATTPW-UHFFFAOYSA-N 0 3 369.421 2.782 20 5 FFBDHN CN1C[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H](c2ccccc2)C1 ZINC000497402524 516319728 /nfs/dbraw/zinc/31/97/28/516319728.db2.gz UOBZKZQLIIBBQW-RDJZCZTQSA-N 0 3 364.405 2.904 20 5 FFBDHN CN1C[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](c2ccccc2)C1 ZINC000497401299 516319812 /nfs/dbraw/zinc/31/98/12/516319812.db2.gz ZBLNGMAUZWOIOI-MJGOQNOKSA-N 0 3 364.405 2.904 20 5 FFBDHN CN1C[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@H](c2ccccc2)C1 ZINC000497412343 516320857 /nfs/dbraw/zinc/32/08/57/516320857.db2.gz ZFBQZIMHDYGYCF-RDJZCZTQSA-N 0 3 364.405 2.904 20 5 FFBDHN CN1C[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@@H](c2ccccc2)C1 ZINC000497412344 516320879 /nfs/dbraw/zinc/32/08/79/516320879.db2.gz ZFBQZIMHDYGYCF-WBVHZDCISA-N 0 3 364.405 2.904 20 5 FFBDHN CNC(=O)COc1cccc(CNC/C(C)=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000513117010 516481205 /nfs/dbraw/zinc/48/12/05/516481205.db2.gz OSRHYPAZLJLSAJ-OQLLNIDSSA-N 0 3 369.421 2.913 20 5 FFBDHN CN(C)CCN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CCCC1 ZINC000523663427 516537576 /nfs/dbraw/zinc/53/75/76/516537576.db2.gz UUYJZVOWQUXASX-UHFFFAOYSA-N 0 3 371.441 2.727 20 5 FFBDHN COC[C@@H](NCCCn1c2cc([N+](=O)[O-])ccc2oc1=O)c1ccccc1 ZINC000540407607 516541857 /nfs/dbraw/zinc/54/18/57/516541857.db2.gz KSIFFXVECSAKMX-MRXNPFEDSA-N 0 3 371.393 2.870 20 5 FFBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000518128523 516558200 /nfs/dbraw/zinc/55/82/00/516558200.db2.gz WLHUBGWPCLVBSO-UHFFFAOYSA-N 0 3 368.437 2.596 20 5 FFBDHN CC(C)(C)OCCN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000547832499 516589271 /nfs/dbraw/zinc/58/92/71/516589271.db2.gz XBKPELLOGQRDQI-UHFFFAOYSA-N 0 3 361.446 2.798 20 5 FFBDHN CS[C@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000536172940 516664343 /nfs/dbraw/zinc/66/43/43/516664343.db2.gz LTGLGBSKHARNNN-STQMWFEESA-N 0 3 360.277 2.839 20 5 FFBDHN CCN(CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)c1ccsc1 ZINC000518456429 516666113 /nfs/dbraw/zinc/66/61/13/516666113.db2.gz BVDGWXZJKHPQOG-OAHLLOKOSA-N 0 3 350.444 2.808 20 5 FFBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000536187750 516667169 /nfs/dbraw/zinc/66/71/69/516667169.db2.gz ARHWUOADEFVLFL-KBPBESRZSA-N 0 3 358.442 2.998 20 5 FFBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531882842 516691142 /nfs/dbraw/zinc/69/11/42/516691142.db2.gz QSLAPHCMYZXENM-UHFFFAOYSA-N 0 3 362.817 2.847 20 5 FFBDHN COc1cc(CN[C@](C)(CO)C(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000554976437 516730048 /nfs/dbraw/zinc/73/00/48/516730048.db2.gz UZDSQYMXXFTKHU-MRXNPFEDSA-N 0 3 362.373 2.744 20 5 FFBDHN CCN1CC[C@@H](N(C)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C ZINC000524617635 516770405 /nfs/dbraw/zinc/77/04/05/516770405.db2.gz BPSSAQRVMOCSSG-HUUCEWRRSA-N 0 3 371.441 2.725 20 5 FFBDHN CN(C)CCOc1cc(CNc2ncc([N+](=O)[O-])cc2Cl)ccn1 ZINC000536501679 516792823 /nfs/dbraw/zinc/79/28/23/516792823.db2.gz KARJKCWGMFMABO-UHFFFAOYSA-N 0 3 351.794 2.591 20 5 FFBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514212107 516906596 /nfs/dbraw/zinc/90/65/96/516906596.db2.gz BFVYBZUIPCHYJY-CMPLNLGQSA-N 0 3 357.357 2.608 20 5 FFBDHN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000532392458 516948642 /nfs/dbraw/zinc/94/86/42/516948642.db2.gz QZOJKLQDWYAKKA-UHFFFAOYSA-N 0 3 366.421 2.653 20 5 FFBDHN O=C(c1ccc([N+](=O)[O-])cn1)N1CCN(c2ccnc3ccccc32)CC1 ZINC000552007176 517024466 /nfs/dbraw/zinc/02/44/66/517024466.db2.gz MOUYYBIRJRNDEM-UHFFFAOYSA-N 0 3 363.377 2.500 20 5 FFBDHN C[C@@H]1CCCN(c2ccc(C(=O)N(C)[C@H]3CCCN(C)C3)cc2[N+](=O)[O-])C1 ZINC000525521510 517067051 /nfs/dbraw/zinc/06/70/51/517067051.db2.gz FNRGESWEXNJCAR-WBVHZDCISA-N 0 3 374.485 2.997 20 5 FFBDHN C[C@@H]1CCCN(CCN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000552254471 517164814 /nfs/dbraw/zinc/16/48/14/517164814.db2.gz GHSOOFHKVVSOIX-CRAIPNDOSA-N 0 3 357.458 2.739 20 5 FFBDHN C[C@@H]1CCN(CCNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000525804401 517171913 /nfs/dbraw/zinc/17/19/13/517171913.db2.gz VMKHHAGHWVMBTC-GFCCVEGCSA-N 0 3 360.439 2.790 20 5 FFBDHN COc1cc(CN(CCN(C)C)Cc2ccco2)c([N+](=O)[O-])cc1OC ZINC000519785349 517180287 /nfs/dbraw/zinc/18/02/87/517180287.db2.gz GWVWSQSWLBFMLK-UHFFFAOYSA-N 0 3 363.414 2.769 20 5 FFBDHN Cc1nn(C)c(C(=O)N(CCN2CCCCCC2)C2CCC2)c1[N+](=O)[O-] ZINC000519841723 517214486 /nfs/dbraw/zinc/21/44/86/517214486.db2.gz DZEVFJXSSJGEOF-UHFFFAOYSA-N 0 3 363.462 2.507 20 5 FFBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NCC2(SC)CCN(C)CC2)c1 ZINC000515159981 517233428 /nfs/dbraw/zinc/23/34/28/517233428.db2.gz MVMDCSCHGBWKNO-UHFFFAOYSA-N 0 3 369.512 2.874 20 5 FFBDHN C[C@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1C ZINC000520264884 517324257 /nfs/dbraw/zinc/32/42/57/517324257.db2.gz BPVXPQAVXJYHPG-LSDHHAIUSA-N 0 3 364.446 2.536 20 5 FFBDHN CC(C)[C@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCCCC1 ZINC000520499070 517412343 /nfs/dbraw/zinc/41/23/43/517412343.db2.gz WYEAVUXNLORNOU-LJQANCHMSA-N 0 3 374.485 2.754 20 5 FFBDHN CC(C)CCC[C@@H](C)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000537969475 517420102 /nfs/dbraw/zinc/42/01/02/517420102.db2.gz BNCLPJKTHFSHMH-CQSZACIVSA-N 0 3 357.476 2.678 20 5 FFBDHN COc1cc(CNCC[C@@H]2CCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000542482399 517588173 /nfs/dbraw/zinc/58/81/73/517588173.db2.gz NJMKOVKWMGLHSM-LLVKDONJSA-N 0 3 360.357 2.764 20 5 FFBDHN [NH3+][C@H]1CCCCCC[C@@H]1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000563062989 517625723 /nfs/dbraw/zinc/62/57/23/517625723.db2.gz KNCSWTLTHAIYMJ-GJZGRUSLSA-N 0 3 357.414 2.643 20 5 FFBDHN Cc1c(NC(=O)CCN[C@H](CO)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000563261620 517776804 /nfs/dbraw/zinc/77/68/04/517776804.db2.gz GIRJCYSBJSXGNN-MRXNPFEDSA-N 0 3 361.373 2.694 20 5 FFBDHN CCC[C@H](C)[C@@H](CC)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000539073132 517901562 /nfs/dbraw/zinc/90/15/62/517901562.db2.gz NYFNKUXDBFHWFA-UONOGXRCSA-N 0 3 357.476 2.678 20 5 FFBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](Cc1ccccc1)N(C)C ZINC000534521605 517926634 /nfs/dbraw/zinc/92/66/34/517926634.db2.gz JWNMPPDZCYBUFI-MRXNPFEDSA-N 0 3 356.426 2.539 20 5 FFBDHN CN(C)CCSCc1cc(I)cc([N+](=O)[O-])c1 ZINC000517059741 518004559 /nfs/dbraw/zinc/00/45/59/518004559.db2.gz WYDYMRTXZSWTSE-UHFFFAOYSA-N 0 3 366.224 2.994 20 5 FFBDHN CN(C)CCOc1cc(-c2noc(-c3cc(F)cc([N+](=O)[O-])c3)n2)ccn1 ZINC000547201779 518019198 /nfs/dbraw/zinc/01/91/98/518019198.db2.gz ZGJZKWYSPSDKAF-UHFFFAOYSA-N 0 3 373.344 2.786 20 5 FFBDHN COc1ccc(-c2ccc(CNC[C@@]3(O)CCSC3)o2)c([N+](=O)[O-])c1 ZINC000531108136 518139703 /nfs/dbraw/zinc/13/97/03/518139703.db2.gz BZRUHEJFSHHGDD-KRWDZBQOSA-N 0 3 364.423 2.821 20 5 FFBDHN Cc1cccc(O[C@@H](C)CNC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000569687583 518241203 /nfs/dbraw/zinc/24/12/03/518241203.db2.gz XYDGLHTXEFVQTM-HOTGVXAUSA-N 0 3 360.410 2.700 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000569790598 518292265 /nfs/dbraw/zinc/29/22/65/518292265.db2.gz FCHYGLWDTHCJMB-JKSUJKDBSA-N 0 3 353.850 2.981 20 5 FFBDHN CC(C)Cc1ccc([C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])N(C)C)cc1 ZINC000578634601 518303197 /nfs/dbraw/zinc/30/31/97/518303197.db2.gz BOXKIDKIGRXFTE-HNNXBMFYSA-N 0 3 359.430 2.549 20 5 FFBDHN CC(C)Cc1ccc([C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])N(C)C)cc1 ZINC000578634601 518303205 /nfs/dbraw/zinc/30/32/05/518303205.db2.gz BOXKIDKIGRXFTE-HNNXBMFYSA-N 0 3 359.430 2.549 20 5 FFBDHN C[C@@H](CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)Oc1ccccc1F ZINC000575917390 518341327 /nfs/dbraw/zinc/34/13/27/518341327.db2.gz XGBTYMVVLOIEDL-DZGCQCFKSA-N 0 3 364.373 2.531 20 5 FFBDHN O=[N+]([O-])c1ccc(OC[C@H]2CN(Cc3ccccc3)CCCO2)cc1CO ZINC000575958604 518360261 /nfs/dbraw/zinc/36/02/61/518360261.db2.gz ZQYQGJAVZAFFOT-LJQANCHMSA-N 0 3 372.421 2.757 20 5 FFBDHN Cc1cccc(OC[C@H](C)NC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000584524915 518383512 /nfs/dbraw/zinc/38/35/12/518383512.db2.gz NCDORYRLFLDHHC-HOTGVXAUSA-N 0 3 360.410 2.700 20 5 FFBDHN Cc1ccc(C[C@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000576030008 518395195 /nfs/dbraw/zinc/39/51/95/518395195.db2.gz JRPFRPNXRWQYRT-LBPRGKRZSA-N 0 3 368.480 2.959 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCc2ccc(Cl)s2)cc1 ZINC000584776045 518472117 /nfs/dbraw/zinc/47/21/17/518472117.db2.gz DTNWUMZNCCODPP-UHFFFAOYSA-N 0 3 374.871 2.916 20 5 FFBDHN CC(C)(C)c1ccncc1CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000579104001 518524484 /nfs/dbraw/zinc/52/44/84/518524484.db2.gz ZAWUXKWRLSBKHR-OAHLLOKOSA-N 0 3 359.426 2.817 20 5 FFBDHN O=[N+]([O-])c1cccc(OCCN(Cc2ccccc2)[C@@]2(CO)CCOC2)c1 ZINC000585718388 518573452 /nfs/dbraw/zinc/57/34/52/518573452.db2.gz FXCCDUGGLXPYGS-HXUWFJFHSA-N 0 3 372.421 2.627 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H]2C[C@H]2c2c(F)cccc2F)c1 ZINC000564863686 518661116 /nfs/dbraw/zinc/66/11/16/518661116.db2.gz LNGWFZDPAHSZDH-DXCKQFNASA-N 0 3 364.348 2.758 20 5 FFBDHN CN(C)CCOc1cnccc1CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000567747526 518690479 /nfs/dbraw/zinc/69/04/79/518690479.db2.gz NDLWQCPLSLKNSI-UHFFFAOYSA-N 0 3 371.441 2.816 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCCCN2CC(C)C)n1 ZINC000567771603 518702282 /nfs/dbraw/zinc/70/22/82/518702282.db2.gz HKUVSFZTXLRTPI-CYBMUJFWSA-N 0 3 350.419 2.699 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2nc(CN3CCNC[C@@H]3C(F)F)cs2)c1 ZINC000567871020 518759691 /nfs/dbraw/zinc/75/96/91/518759691.db2.gz JBQTYCVWZPVNOR-CYBMUJFWSA-N 0 3 354.382 2.757 20 5 FFBDHN C[C@]1(CNc2nccc(C(N)=O)c2[N+](=O)[O-])CCCN1Cc1ccccc1 ZINC000579656677 518783950 /nfs/dbraw/zinc/78/39/50/518783950.db2.gz ACDFLUGAWRKTRU-LJQANCHMSA-N 0 3 369.425 2.555 20 5 FFBDHN CCN(C[C@H]1CCCN1CC)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000573830307 518855643 /nfs/dbraw/zinc/85/56/43/518855643.db2.gz USEWGVGNXJDOPG-QGZVFWFLSA-N 0 3 358.442 2.882 20 5 FFBDHN CC(C)Oc1ccccc1CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000565476286 518974713 /nfs/dbraw/zinc/97/47/13/518974713.db2.gz MXCKRMIHVISGGM-KRWDZBQOSA-N 0 3 360.410 2.912 20 5 FFBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc2c1CCNC2 ZINC000583310715 519181858 /nfs/dbraw/zinc/18/18/58/519181858.db2.gz SIOLDUPKESJHLS-UHFFFAOYSA-N 0 3 354.410 2.947 20 5 FFBDHN C[C@H](C(=O)NCc1cccc(OCCN(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000574506067 519187375 /nfs/dbraw/zinc/18/73/75/519187375.db2.gz SKKFPRPAJUWJSC-HNNXBMFYSA-N 0 3 371.437 2.955 20 5 FFBDHN CN(c1ccccc1)c1ccc(CNC[C@H]2CCCNC2=O)cc1[N+](=O)[O-] ZINC000590971907 519465196 /nfs/dbraw/zinc/46/51/96/519465196.db2.gz VWRWCBXAXISHDO-MRXNPFEDSA-N 0 3 368.437 2.979 20 5 FFBDHN COc1cccc([N+](=O)[O-])c1NCCCN1CCN(c2ccncc2)CC1 ZINC000566478226 519513302 /nfs/dbraw/zinc/51/33/02/519513302.db2.gz MAQHDNJXQRKFNW-UHFFFAOYSA-N 0 3 371.441 2.623 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])c(-c2nc(CC3=N[C@@H]4CCCC[C@H]4N3)no2)c1 ZINC000569389966 519524960 /nfs/dbraw/zinc/52/49/60/519524960.db2.gz LOGRGKCMQYJLDW-ZIAGYGMSSA-N 0 3 371.397 2.899 20 5 FFBDHN O=C(Nc1cccc2c1CCNC2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000578423519 519583251 /nfs/dbraw/zinc/58/32/51/519583251.db2.gz DIJUGKIJLAXLGN-UHFFFAOYSA-N 0 3 352.394 2.831 20 5 FFBDHN O=C(NC[C@]1(O)CN2CCC1CC2)c1cc2ccccc2c2cccnc12 ZINC000569523915 519593032 /nfs/dbraw/zinc/59/30/32/519593032.db2.gz GYQBYSUFRHMLEG-QFIPXVFZSA-N 0 3 361.445 2.575 20 5 FFBDHN CC1=Nc2ccccc2C12CCN(CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000602858798 519931601 /nfs/dbraw/zinc/93/16/01/519931601.db2.gz BULIBSNUHLHPGO-UHFFFAOYSA-N 0 3 366.421 2.896 20 5 FFBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594418460 519954376 /nfs/dbraw/zinc/95/43/76/519954376.db2.gz JFHOKYFIEFUCNC-MSOLQXFVSA-N 0 3 360.458 2.920 20 5 FFBDHN COc1cc(C(=O)N2CCCN(c3ccncc3)CC2)cc([N+](=O)[O-])c1C ZINC000603083822 520067704 /nfs/dbraw/zinc/06/77/04/520067704.db2.gz MSDJGZRZIHENRV-UHFFFAOYSA-N 0 3 370.409 2.659 20 5 FFBDHN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCCN(c2ccncc2)CC1 ZINC000603083240 520068614 /nfs/dbraw/zinc/06/86/14/520068614.db2.gz IMBLCXUMKQYJMA-UHFFFAOYSA-N 0 3 360.801 2.996 20 5 FFBDHN CCOC(=O)c1cccc(CNCCc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000600163188 520092955 /nfs/dbraw/zinc/09/29/55/520092955.db2.gz BEDIMIULWYPYIZ-UHFFFAOYSA-N 0 3 368.393 2.980 20 5 FFBDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1ccc(N3CCCC3)c([N+](=O)[O-])c1)C2 ZINC000597715603 520193063 /nfs/dbraw/zinc/19/30/63/520193063.db2.gz NMWXEUPJBSFSAS-HXUWFJFHSA-N 0 3 372.469 2.753 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC3(CC=CC3)[C@@H]2c2ccccc2)c1 ZINC000592188897 520254632 /nfs/dbraw/zinc/25/46/32/520254632.db2.gz UWPQXAWUOYXXKM-ROUUACIJSA-N 0 3 354.410 2.546 20 5 FFBDHN CN(CCCCN1CCCCC1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000603418296 520256271 /nfs/dbraw/zinc/25/62/71/520256271.db2.gz XQBFNZPMMBQTRU-UHFFFAOYSA-N 0 3 373.450 2.621 20 5 FFBDHN O=C(NC[C@@H]1CCN1C1CCCC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000600472762 520281849 /nfs/dbraw/zinc/28/18/49/520281849.db2.gz PXJXZBJMKUQIAD-ZDUSSCGKSA-N 0 3 369.368 2.943 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCN2C(C)(C)C)cc1SC ZINC000597857675 520287386 /nfs/dbraw/zinc/28/73/86/520287386.db2.gz ITDKEPVDIJKNTR-NSHDSACASA-N 0 3 367.471 2.928 20 5 FFBDHN Cc1c(C(=O)N2CC[C@H](c3cccc(F)c3)[C@H](N)C2)cccc1[N+](=O)[O-] ZINC000595226663 520360854 /nfs/dbraw/zinc/36/08/54/520360854.db2.gz XXRCCMJIIUOCPY-IAGOWNOFSA-N 0 3 357.385 2.999 20 5 FFBDHN CCOc1ccc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc1[N+](=O)[O-] ZINC000595259214 520376949 /nfs/dbraw/zinc/37/69/49/520376949.db2.gz YYHXZXIRKBXFFU-GOSISDBHSA-N 0 3 371.393 2.907 20 5 FFBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](c1cccc(OC)c1)N(C)C ZINC000603929487 520407412 /nfs/dbraw/zinc/40/74/12/520407412.db2.gz MKOYHGQNFOEZIF-GOSISDBHSA-N 0 3 372.425 2.678 20 5 FFBDHN C[C@]1(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])COc2ccccc2O1 ZINC000600744430 520441282 /nfs/dbraw/zinc/44/12/82/520441282.db2.gz FRBWOMIMCDHLKK-IBGZPJMESA-N 0 3 371.393 2.743 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@@H](N2CCOCC2)CC1 ZINC000595471304 520492290 /nfs/dbraw/zinc/49/22/90/520492290.db2.gz ZBYGLEQHAINILF-MRXNPFEDSA-N 0 3 353.850 2.935 20 5 FFBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000598260340 520525267 /nfs/dbraw/zinc/52/52/67/520525267.db2.gz AYEDYTYQZUSNCY-OAHLLOKOSA-N 0 3 371.441 2.631 20 5 FFBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000598262995 520526943 /nfs/dbraw/zinc/52/69/43/520526943.db2.gz OMQXPPMVGOWSIK-HNNXBMFYSA-N 0 3 371.441 2.631 20 5 FFBDHN C[C@H](CN1CCC(C)CC1)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000598262965 520527557 /nfs/dbraw/zinc/52/75/57/520527557.db2.gz ODFGEEHFHHCMCB-CQSZACIVSA-N 0 3 351.472 2.924 20 5 FFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000610135240 520554219 /nfs/dbraw/zinc/55/42/19/520554219.db2.gz NLQKOJUTGKOLOF-CABCVRRESA-N 0 3 369.487 2.705 20 5 FFBDHN CCCN1CC[C@@H](NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1 ZINC000598343922 520566880 /nfs/dbraw/zinc/56/68/80/520566880.db2.gz YNCBBYBQNKSDSL-GFCCVEGCSA-N 0 3 370.247 2.880 20 5 FFBDHN Cn1c(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000604472360 520569651 /nfs/dbraw/zinc/56/96/51/520569651.db2.gz SRTKLUGZJMRHNO-MRXNPFEDSA-N 0 3 356.426 2.575 20 5 FFBDHN CCCN1CC[C@@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000595591547 520577635 /nfs/dbraw/zinc/57/76/35/520577635.db2.gz VSWDAYJOYQQSLB-CYBMUJFWSA-N 0 3 374.363 2.897 20 5 FFBDHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCCC[C@@H](N2CCCC2)C1 ZINC000601115784 520643310 /nfs/dbraw/zinc/64/33/10/520643310.db2.gz KNQVTKMJIAZQPY-LLVKDONJSA-N 0 3 361.368 2.802 20 5 FFBDHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@@H]1CN1CCCCC1 ZINC000601147648 520660475 /nfs/dbraw/zinc/66/04/75/520660475.db2.gz VKKPBWDSLOPCIO-LLVKDONJSA-N 0 3 361.368 2.802 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H]2CCC[C@H]2Cc2cnn(C)c2)c1 ZINC000595772382 520713266 /nfs/dbraw/zinc/71/32/66/520713266.db2.gz RXUFNRFGTZRKDF-YOEHRIQHSA-N 0 3 372.425 2.616 20 5 FFBDHN CCCN(CCN(C)C)C(=O)c1cccc(Cn2nc([N+](=O)[O-])cc2C)c1 ZINC000593067938 520721034 /nfs/dbraw/zinc/72/10/34/520721034.db2.gz MBVFCOMXDCHTCC-UHFFFAOYSA-N 0 3 373.457 2.562 20 5 FFBDHN COC(=O)c1ccnc(NC[C@@H]2CCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000598598726 520733814 /nfs/dbraw/zinc/73/38/14/520733814.db2.gz UADDUSUUDNASHE-HNNXBMFYSA-N 0 3 370.409 2.853 20 5 FFBDHN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N(CCN(C)C)C(C)C)c1 ZINC000593105780 520749529 /nfs/dbraw/zinc/74/95/29/520749529.db2.gz JSAYLPJTKUECAB-UHFFFAOYSA-N 0 3 373.457 2.560 20 5 FFBDHN O=C(N[C@H](CN1CCCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000610771973 520836351 /nfs/dbraw/zinc/83/63/51/520836351.db2.gz UTYIPMUVWNZWEX-GOSISDBHSA-N 0 3 354.410 2.947 20 5 FFBDHN COc1ccc(OCCNC(C)(C)C(=O)Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000610844287 520868100 /nfs/dbraw/zinc/86/81/00/520868100.db2.gz DZJNRQXISGJJCC-UHFFFAOYSA-N 0 3 373.409 2.989 20 5 FFBDHN CCN1CCC(N(C)c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)CC1 ZINC000596070261 520893364 /nfs/dbraw/zinc/89/33/64/520893364.db2.gz AAKNQWPACVUPSV-UHFFFAOYSA-N 0 3 355.822 2.955 20 5 FFBDHN COc1ccc(-c2ccc(CNCCc3cncn3C)o2)c([N+](=O)[O-])c1 ZINC000598918257 520917125 /nfs/dbraw/zinc/91/71/25/520917125.db2.gz WBHFSOMUSPHQQI-UHFFFAOYSA-N 0 3 356.382 2.929 20 5 FFBDHN CN1CCC[C@H](N2CCN(c3ccc(C(F)(F)F)c([N+](=O)[O-])c3)CC2)C1 ZINC000596128765 520928472 /nfs/dbraw/zinc/92/84/72/520928472.db2.gz MOEVECSSPCCBAW-AWEZNQCLSA-N 0 3 372.391 2.830 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000601782334 520948656 /nfs/dbraw/zinc/94/86/56/520948656.db2.gz YOLXUTUHHVLRHU-UHFFFAOYSA-N 0 3 357.414 2.927 20 5 FFBDHN COc1cccc(C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000618222350 520950093 /nfs/dbraw/zinc/95/00/93/520950093.db2.gz XJERMVIMRZWJAX-INIZCTEOSA-N 0 3 369.421 2.950 20 5 FFBDHN CN(C)CCNC(=O)c1ccc(NCc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000598992176 520964524 /nfs/dbraw/zinc/96/45/24/520964524.db2.gz SOMOSVLKVGHVLL-UHFFFAOYSA-N 0 3 360.389 2.637 20 5 FFBDHN CN(c1ccccc1)c1ccc(CNC[C@@H]2COCCN2C)cc1[N+](=O)[O-] ZINC000599002837 520972775 /nfs/dbraw/zinc/97/27/75/520972775.db2.gz CFFAZSSVBDKDBS-GOSISDBHSA-N 0 3 370.453 2.783 20 5 FFBDHN COc1ccc(CN(C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cn1 ZINC000611140084 521005912 /nfs/dbraw/zinc/00/59/12/521005912.db2.gz XJNPIIFZRIOFFC-UHFFFAOYSA-N 0 3 358.398 2.767 20 5 FFBDHN CCC[C@H](N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000599073082 521016873 /nfs/dbraw/zinc/01/68/73/521016873.db2.gz NTZIKEMDRTWFLS-GVDBMIGSSA-N 0 3 369.487 2.886 20 5 FFBDHN C[C@H](NC[C@@H]1CN(Cc2ccncc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000599087243 521024973 /nfs/dbraw/zinc/02/49/73/521024973.db2.gz GUXDHXJVCMTBBU-HNAYVOBHSA-N 0 3 356.426 2.541 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCN([C@H]3CCC[C@H]3O)CC2)nc1-c1ccccc1 ZINC000611181818 521027173 /nfs/dbraw/zinc/02/71/73/521027173.db2.gz KRISLMSWIFWTGK-FUHWJXTLSA-N 0 3 368.437 2.692 20 5 FFBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000611185037 521029765 /nfs/dbraw/zinc/02/97/65/521029765.db2.gz OOVYGDWAERFRHL-XLIONFOSSA-N 0 3 371.437 2.856 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCc2cccc(CN)c21 ZINC000599102675 521033484 /nfs/dbraw/zinc/03/34/84/521033484.db2.gz OSYKOUILNLEPJO-UHFFFAOYSA-N 0 3 361.423 2.503 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)cnc1NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000596424608 521065069 /nfs/dbraw/zinc/06/50/69/521065069.db2.gz UCUZJDHYNCLPOS-HNNXBMFYSA-N 0 3 362.817 2.822 20 5 FFBDHN Cc1cc(NCC(C)(C)[C@]2(O)CCCOC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000596535825 521122031 /nfs/dbraw/zinc/12/20/31/521122031.db2.gz SRVWWFOHXZOQEW-IBGZPJMESA-N 0 3 359.426 2.853 20 5 FFBDHN C[C@H](NC(=O)N1CCN(c2ccncc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000611375820 521125966 /nfs/dbraw/zinc/12/59/66/521125966.db2.gz RHNMZPFDKAQCSV-AWEZNQCLSA-N 0 3 355.398 2.583 20 5 FFBDHN CN1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC12CCCCC2 ZINC000593998384 521338407 /nfs/dbraw/zinc/33/84/07/521338407.db2.gz YWMKSKIGIVBBMO-UHFFFAOYSA-N 0 3 360.458 2.874 20 5 FFBDHN CC[C@H]1CCCCN1CCNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000611828821 521354187 /nfs/dbraw/zinc/35/41/87/521354187.db2.gz WXGKIQPGFMOLEZ-AWEZNQCLSA-N 0 3 350.419 2.989 20 5 FFBDHN CC(C)OC(=O)C[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000594045899 521370052 /nfs/dbraw/zinc/37/00/52/521370052.db2.gz MQDFQHGBGLWGJH-INIZCTEOSA-N 0 3 365.430 2.514 20 5 FFBDHN CCOc1ccc(NC(=O)CN[C@H](CC)[C@@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000594044446 521370206 /nfs/dbraw/zinc/37/02/06/521370206.db2.gz QXQYLMVYKXGCFY-PBHICJAKSA-N 0 3 365.430 2.869 20 5 FFBDHN COC[C@H](NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccc(C)o1 ZINC000602564692 521413003 /nfs/dbraw/zinc/41/30/03/521413003.db2.gz NTMCOXNATPRGRF-INIZCTEOSA-N 0 3 360.414 2.837 20 5 FFBDHN C[C@@H](NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)C1=CCN(C)CC1 ZINC000597101832 521507613 /nfs/dbraw/zinc/50/76/13/521507613.db2.gz UXCAWBJXQJAYIZ-SECBINFHSA-N 0 3 353.810 2.602 20 5 FFBDHN O=C1CC[C@H]2CN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC[C@@H]2N1 ZINC000597204733 521573555 /nfs/dbraw/zinc/57/35/55/521573555.db2.gz FTIYXYURHZAXIG-BBRMVZONSA-N 0 3 355.394 2.955 20 5 FFBDHN O=[N+]([O-])c1ccc(NCCCCC[NH+]2CCCCC2)c(-c2nnn[n-]2)c1 ZINC000738371859 598679200 /nfs/dbraw/zinc/67/92/00/598679200.db2.gz YFULZSWJHFNOFE-UHFFFAOYSA-N 0 3 359.434 2.843 20 5 FFBDHN O=[N+]([O-])c1ccc(NCCCCC[NH+]2CCCCC2)c(-c2nn[n-]n2)c1 ZINC000738371859 598679202 /nfs/dbraw/zinc/67/92/02/598679202.db2.gz YFULZSWJHFNOFE-UHFFFAOYSA-N 0 3 359.434 2.843 20 5 FFBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC1CCC([NH+]2CCCCC2)CC1 ZINC000823629954 606201243 /nfs/dbraw/zinc/20/12/43/606201243.db2.gz NQPIEGPDQXGHQV-UHFFFAOYSA-N 0 3 371.445 2.984 20 5 FFBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC1CCC([NH+]2CCCCC2)CC1 ZINC000823629954 606201244 /nfs/dbraw/zinc/20/12/44/606201244.db2.gz NQPIEGPDQXGHQV-UHFFFAOYSA-N 0 3 371.445 2.984 20 5 FFBDHN Cc1ccc([C@H](C)[NH2+]CCOc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000826283256 608554119 /nfs/dbraw/zinc/55/41/19/608554119.db2.gz NMUFKISHOCKCCA-ZDUSSCGKSA-N 0 3 368.397 2.813 20 5 FFBDHN C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824607570 609154804 /nfs/dbraw/zinc/15/48/04/609154804.db2.gz ZZGBIKVMQDFVCV-NSHDSACASA-N 0 3 356.361 2.807 20 5 FFBDHN C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824607570 609154805 /nfs/dbraw/zinc/15/48/05/609154805.db2.gz ZZGBIKVMQDFVCV-NSHDSACASA-N 0 3 356.361 2.807 20 5 FFBDHN C[C@@H](CNC(=O)OC(C)(C)C)N(C)CCOc1ccccc1[N+](=O)[O-] ZINC000171955680 729016919 /nfs/dbraw/zinc/01/69/19/729016919.db2.gz DRUZQUCBLGXFSF-ZDUSSCGKSA-N 0 3 353.419 2.819 20 5 FFBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000857303015 730390155 /nfs/dbraw/zinc/39/01/55/730390155.db2.gz JVOLORSKIXXZRI-SNVBAGLBSA-N 0 3 370.247 2.960 20 5 FFBDHN COc1ccc(NC(=O)CCN[C@@H](C)c2ccns2)c([N+](=O)[O-])c1 ZINC000860055312 730474586 /nfs/dbraw/zinc/47/45/86/730474586.db2.gz VADLXHNMTOKEKC-JTQLQIEISA-N 0 3 350.400 2.739 20 5 FFBDHN C[C@@H](CN(C)CCOc1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000860098867 730476355 /nfs/dbraw/zinc/47/63/55/730476355.db2.gz TZKHPGNVKRRTAD-ZDUSSCGKSA-N 0 3 353.419 2.819 20 5 FFBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000874831655 732104859 /nfs/dbraw/zinc/10/48/59/732104859.db2.gz ADNZDQMANBLELV-RYUDHWBXSA-N 0 3 355.341 2.505 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)cc1SC ZINC000874835767 732105481 /nfs/dbraw/zinc/10/54/81/732105481.db2.gz ADXAQSOGIOANTC-OLZOCXBDSA-N 0 3 365.455 2.634 20 5 FFBDHN Cn1c(CNC2CC(n3cc([N+](=O)[O-])cn3)C2)nc2cccc(Cl)c21 ZINC000877408696 732358675 /nfs/dbraw/zinc/35/86/75/732358675.db2.gz QMQZCJBSSMHNLF-UHFFFAOYSA-N 0 3 360.805 2.825 20 5 FFBDHN CN(CCN1CC2(C1)CCOCC2)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000877765657 732425886 /nfs/dbraw/zinc/42/58/86/732425886.db2.gz NSMYYFQZIWCYLS-UHFFFAOYSA-N 0 3 353.850 2.792 20 5 FFBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)c1cc(Br)no1 ZINC000878598233 732562416 /nfs/dbraw/zinc/56/24/16/732562416.db2.gz AKAMYLXXSGSFRB-LBPRGKRZSA-N 0 3 370.203 2.553 20 5 FFBDHN C[C@@](CO)(NC[C@@H](O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000879270719 732676389 /nfs/dbraw/zinc/67/63/89/732676389.db2.gz AGKKDPZQTSSDGE-SJORKVTESA-N 0 3 350.802 2.779 20 5 FFBDHN O=[N+]([O-])c1ccc(CN[C@@H](CO)C[C@@H](O)c2ccccc2)cc1Cl ZINC000783648850 738822802 /nfs/dbraw/zinc/82/28/02/738822802.db2.gz ASENCVDMCOCVQU-RHSMWYFYSA-N 0 3 350.802 2.822 20 5 FFBDHN COc1c([O-])ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)c1[N+](=O)[O-] ZINC000893277501 734679215 /nfs/dbraw/zinc/67/92/15/734679215.db2.gz YZAHZECLQDDSIR-IXPVHAAZSA-N 0 3 356.469 2.778 20 5 FFBDHN COCCOC1(CNCc2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000894672071 734898855 /nfs/dbraw/zinc/89/88/55/734898855.db2.gz GRIZZVJRNOMGCN-UHFFFAOYSA-N 0 3 358.822 2.550 20 5 FFBDHN CCOC(=O)CCC1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000750117385 735770762 /nfs/dbraw/zinc/77/07/62/735770762.db2.gz VRVDTZBLJDXBLJ-KRWDZBQOSA-N 0 3 350.415 2.684 20 5 FFBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1cn(C)nc1OC ZINC000903337400 736077224 /nfs/dbraw/zinc/07/72/24/736077224.db2.gz JUVYGZHLXMYUIV-ZDUSSCGKSA-N 0 3 350.444 2.997 20 5 FFBDHN CCN(CC)[C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000762279323 736810264 /nfs/dbraw/zinc/81/02/64/736810264.db2.gz IPUGEDSXZALRPF-LLVKDONJSA-N 0 3 363.867 2.565 20 5 FFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000771762313 737753462 /nfs/dbraw/zinc/75/34/62/737753462.db2.gz OCSOSCYBOWEZPE-STQMWFEESA-N 0 3 373.450 2.536 20 5 FFBDHN COC(=O)C(C)(C)[C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000772374290 737807110 /nfs/dbraw/zinc/80/71/10/737807110.db2.gz MNQKSTUPOHHRAD-GDBMZVCRSA-N 0 3 350.415 2.539 20 5 FFBDHN CN(C)Cc1ccccc1NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778231322 738365408 /nfs/dbraw/zinc/36/54/08/738365408.db2.gz DSWYNJNYUASLMA-UHFFFAOYSA-N 0 3 357.395 2.913 20 5 FFBDHN C[C@H](NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000935311927 739930542 /nfs/dbraw/zinc/93/05/42/739930542.db2.gz GPVMFGRERUELMC-LBPRGKRZSA-N 0 3 351.834 2.947 20 5 FFBDHN CC[C@H]1CN(C)CCCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000935775865 740009047 /nfs/dbraw/zinc/00/90/47/740009047.db2.gz NQFFTMUAPWOXQA-VIFPVBQESA-N 0 3 358.801 2.526 20 5 FFBDHN Cc1ccc(NC[C@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])c1Br ZINC000804397632 740868950 /nfs/dbraw/zinc/86/89/50/740868950.db2.gz ZXWNVOBOFGMAEE-NEPJUHHUSA-N 0 3 370.247 2.941 20 5 FFBDHN Cc1ccc(NC[C@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])c1Br ZINC000804397637 740869092 /nfs/dbraw/zinc/86/90/92/740869092.db2.gz ZXWNVOBOFGMAEE-RYUDHWBXSA-N 0 3 370.247 2.941 20 5 FFBDHN CC(COC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813104795 741677574 /nfs/dbraw/zinc/67/75/74/741677574.db2.gz HNKUGCRXAPEJIA-NWDGAFQWSA-N 0 3 351.359 2.653 20 5 FFBDHN CCc1nc(C(=O)OCC(C)[N+](=O)[O-])nn1-c1c(Cl)cccc1Cl ZINC000813107532 741677726 /nfs/dbraw/zinc/67/77/26/741677726.db2.gz SACJLMHORNVTQB-QMMMGPOBSA-N 0 3 373.196 2.959 20 5 FFBDHN Cc1cc(C)c(C(=O)OCC(C)[N+](=O)[O-])cc1I ZINC000813112242 741678251 /nfs/dbraw/zinc/67/82/51/741678251.db2.gz OJVLTKDKBODSKI-VIFPVBQESA-N 0 3 363.151 2.730 20 5 FFBDHN O=C(Nc1cccc([N+](=O)[O-])c1Cl)NC1CCN([C@@H]2CCOC2)CC1 ZINC000823253921 742865612 /nfs/dbraw/zinc/86/56/12/742865612.db2.gz RFRYJPHSWFDFIY-GFCCVEGCSA-N 0 3 368.821 2.623 20 5 FFBDHN CCC(CC)(CC(=O)OC)NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839519683 746845521 /nfs/dbraw/zinc/84/55/21/746845521.db2.gz ATDSSXBMBONFNQ-UHFFFAOYSA-N 0 3 371.821 2.898 20 5 FFBDHN CO[C@](C)([C@@H](C)NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000839638106 746877981 /nfs/dbraw/zinc/87/79/81/746877981.db2.gz HPJZPADSXFCIPF-QLJPJBMISA-N 0 3 355.822 2.980 20 5 FFBDHN CC([C@@H](OC(=O)CCOC1CCOCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845873840 748341393 /nfs/dbraw/zinc/34/13/93/748341393.db2.gz DXAJQRQOAAZPBJ-SJKOYZFVSA-N 0 3 355.362 2.661 20 5 FFBDHN CC([C@H](OC(=O)c1ncn(C(C)(C)C)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845878623 748342990 /nfs/dbraw/zinc/34/29/90/748342990.db2.gz HNENZVXQMFVQDD-MFKMUULPSA-N 0 3 350.350 2.736 20 5 FFBDHN CC([C@H](OC(=O)Cc1cn(C)nc1Cl)c1ccccc1F)[N+](=O)[O-] ZINC000845879322 748343162 /nfs/dbraw/zinc/34/31/62/748343162.db2.gz IPGLZMUSYSJRCZ-XPTSAGLGSA-N 0 3 355.753 2.705 20 5 FFBDHN CCC(C)(C)N1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000847037087 748603004 /nfs/dbraw/zinc/60/30/04/748603004.db2.gz AXQLJCXPQPTRQD-UHFFFAOYSA-N 0 3 368.865 2.993 20 5 FFBDHN C[C@@H](CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])N(C)C ZINC000853798174 750167388 /nfs/dbraw/zinc/16/73/88/750167388.db2.gz DARIVURNROHKDU-VIFPVBQESA-N 0 3 369.365 2.640 20 5 FFBDHN COc1c(O)ccc(CN[C@H]2CCN(c3ccccc3F)C2)c1[N+](=O)[O-] ZINC000894591699 965500835 /nfs/dbraw/zinc/50/08/35/965500835.db2.gz UHIWIRCAVIRKRG-ZDUSSCGKSA-N 0 3 361.373 2.817 20 5 FFBDHN C[C@@H](NC[C@@H]1COCCN1C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000311304462 969869107 /nfs/dbraw/zinc/86/91/07/969869107.db2.gz OCJGCPJIBCFHOT-CZUORRHYSA-N 0 3 365.430 2.881 20 5 FFBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000825764733 1013968697 /nfs/dbraw/zinc/96/86/97/1013968697.db2.gz MLPLVEUZPHUBGK-STQMWFEESA-N 0 3 366.437 2.793 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC([C@@H](O)c2nccn2C)CC1 ZINC000876741884 1014373210 /nfs/dbraw/zinc/37/32/10/1014373210.db2.gz LRMRKTMSZDQLLX-GOSISDBHSA-N 0 3 358.442 2.891 20 5 FFBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000843816120 977307390 /nfs/dbraw/zinc/30/73/90/977307390.db2.gz BFIZYPQXHQXJNF-BETUJISGSA-N 0 3 367.421 2.662 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000878530095 1015087501 /nfs/dbraw/zinc/08/75/01/1015087501.db2.gz PHZQBKOMOPAOFW-CYBMUJFWSA-N 0 3 373.413 2.749 20 5 FFBDHN COc1ccc([C@H](O)C2CCN(CCn3c(C)ncc3[N+](=O)[O-])CC2)cc1 ZINC000878636098 1015143211 /nfs/dbraw/zinc/14/32/11/1015143211.db2.gz YXTJDQAGSKZOLY-IBGZPJMESA-N 0 3 374.441 2.554 20 5 FFBDHN CCN1CCN(c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000916564982 989830130 /nfs/dbraw/zinc/83/01/30/989830130.db2.gz UDAMDVJOMYCWRJ-UHFFFAOYSA-N 0 3 368.437 2.918 20 5 FFBDHN CCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000072500994 993123769 /nfs/dbraw/zinc/12/37/69/993123769.db2.gz JTRLBKAOFYWLPU-INIZCTEOSA-N 0 3 360.458 2.799 20 5 FFBDHN CC1CCC(N2CCN(C(=O)Nc3ccc(N)c([N+](=O)[O-])c3)CC2)CC1 ZINC000823993415 996774073 /nfs/dbraw/zinc/77/40/73/996774073.db2.gz FKBJXROINRVPOF-UHFFFAOYSA-N 0 3 361.446 2.905 20 5 FFBDHN COc1cc(Cc2noc([C@H]3CC[C@H](C4CC4)N3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000844918495 998229809 /nfs/dbraw/zinc/22/98/09/998229809.db2.gz VGDAYKPAYPURLK-ZIAGYGMSSA-N 0 3 374.397 2.789 20 5 FFBDHN Cc1nn(C)c(C)c1OCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845875392 998676775 /nfs/dbraw/zinc/67/67/75/998676775.db2.gz KMQIIMSUTDTBSG-SJKOYZFVSA-N 0 3 365.361 2.505 20 5 FFBDHN CC([C@@H](OC(=O)c1cc2c(cn1)OCCO2)c1ccccc1F)[N+](=O)[O-] ZINC000845882087 998678500 /nfs/dbraw/zinc/67/85/00/998678500.db2.gz RBJBMTVTBBPBQD-QLJPJBMISA-N 0 3 362.313 2.555 20 5 FFBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1 ZINC001169055351 1000018893 /nfs/dbraw/zinc/01/88/93/1000018893.db2.gz PUZAPOFJTCEDEB-QFBILLFUSA-N 0 3 367.453 2.711 20 5 FFBDHN CC(C)N1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000769662105 1000571571 /nfs/dbraw/zinc/57/15/71/1000571571.db2.gz KGHZCFKENFNKSL-HNNXBMFYSA-N 0 3 360.458 2.798 20 5 FFBDHN CC(C)N(C[C@@H](O)COc1ccccc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000770044657 1000663798 /nfs/dbraw/zinc/66/37/98/1000663798.db2.gz RHXJSRSMLDLSKA-QUCCMNQESA-N 0 3 374.437 2.779 20 5 FFBDHN COC(=O)[C@@H]1CCCN([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170356037 1003122815 /nfs/dbraw/zinc/12/28/15/1003122815.db2.gz UTDANAVADDMQJE-UONOGXRCSA-N 0 3 350.415 2.810 20 5 FFBDHN COc1ccc(C[C@@H](C)N2CCC(N3CC(F)(F)C3)CC2)c([N+](=O)[O-])c1 ZINC001170346627 1003134088 /nfs/dbraw/zinc/13/40/88/1003134088.db2.gz OWCLOHDQVXTLBJ-CYBMUJFWSA-N 0 3 369.412 2.950 20 5 FFBDHN C[C@H](O)[C@@H](O)CNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001203275927 1003412893 /nfs/dbraw/zinc/41/28/93/1003412893.db2.gz DHZQPCWCDFASQI-NHYWBVRUSA-N 0 3 366.801 2.872 20 5 FFBDHN CCC(C)(C)CCN(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001195487991 1004976093 /nfs/dbraw/zinc/97/60/93/1004976093.db2.gz MUFHCBSEWGWDNS-UHFFFAOYSA-N 0 3 357.476 2.631 20 5 FFBDHN CC(C)n1cc(C2=CCCN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)nn1 ZINC000852133684 1005944148 /nfs/dbraw/zinc/94/41/48/1005944148.db2.gz AMMOVHHRPGPSRV-IBGZPJMESA-N 0 3 371.441 2.980 20 5 FFBDHN CC(C)n1cc(C2=CCCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)nn1 ZINC000852135482 1005944458 /nfs/dbraw/zinc/94/44/58/1005944458.db2.gz RSLGTLDNXZOAQR-LJQANCHMSA-N 0 3 371.441 2.980 20 5 FFBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@H](c2ccncc2)C2(CO)CCC2)cc1 ZINC000853134551 1006309874 /nfs/dbraw/zinc/30/98/74/1006309874.db2.gz WIXHOVYSQVSQSQ-QZTJIDSGSA-N 0 3 357.410 2.517 20 5 FFBDHN C[C@H](NC[C@@H](O)COc1ccc(F)c(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815577298 1006693650 /nfs/dbraw/zinc/69/36/50/1006693650.db2.gz MFMRYSXTQUHTOG-CMPLNLGQSA-N 0 3 367.352 2.546 20 5 FFBDHN CC[C@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000113197511 1007220494 /nfs/dbraw/zinc/22/04/94/1007220494.db2.gz VKLBHTUFMXMMOI-ZDUSSCGKSA-N 0 3 364.402 2.806 20 5 FFBDHN C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000817288911 1007510445 /nfs/dbraw/zinc/51/04/45/1007510445.db2.gz OWMMJTVIQKUWMJ-FRFSOERESA-N 0 3 364.442 2.928 20 5 FFBDHN CN(C)C(=O)Nc1cccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819103577 1008034607 /nfs/dbraw/zinc/03/46/07/1008034607.db2.gz ZJZZYJRLBPXUTO-KRWDZBQOSA-N 0 3 358.398 2.512 20 5 FFBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](CN2CCOCC2)C1 ZINC000129701626 1009297724 /nfs/dbraw/zinc/29/77/24/1009297724.db2.gz IIIICHQYQJUGKP-INIZCTEOSA-N 0 3 363.458 2.536 20 5 FFBDHN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)OCC12CCCN(CCC1)C2 ZINC000861363223 1009377769 /nfs/dbraw/zinc/37/77/69/1009377769.db2.gz QREBKTSSCMBQMW-UHFFFAOYSA-N 0 3 360.410 2.977 20 5 FFBDHN C[C@@H](N[C@H]1CCc2ccccc2OC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000509519026 1009528610 /nfs/dbraw/zinc/52/86/10/1009528610.db2.gz ZIRCGTYNXWGMJW-CJNGLKHVSA-N 0 3 355.394 2.905 20 5 FFBDHN CC(C)[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000794614662 1010442091 /nfs/dbraw/zinc/44/20/91/1010442091.db2.gz SNRCLBBOFWJNEZ-RBUKOAKNSA-N 0 3 357.410 2.881 20 5 FFBDHN O=[N+]([O-])c1ccn(CCN[C@H](c2ccccc2)[C@@H](O)c2ccccc2)n1 ZINC000794670544 1010452934 /nfs/dbraw/zinc/45/29/34/1010452934.db2.gz LTFGQKWTKDKVSU-MOPGFXCFSA-N 0 3 352.394 2.856 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccnc(-n3cncn3)c1)CCC2 ZINC000866433032 1010993790 /nfs/dbraw/zinc/99/37/90/1010993790.db2.gz HEWZOZWBFMAHCT-QGZVFWFLSA-N 0 3 350.382 2.738 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CCN(C[C@@H]3CCCO3)CC1)CC2 ZINC001172912172 1012126307 /nfs/dbraw/zinc/12/63/07/1012126307.db2.gz YMFPRZKCWHJYRH-QUCCMNQESA-N 0 3 359.470 2.639 20 5 FFBDHN NCc1ccc(NC2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)cn1 ZINC001173009026 1012176931 /nfs/dbraw/zinc/17/69/31/1012176931.db2.gz KGGXASJKPNGSIO-UHFFFAOYSA-N 0 3 363.368 2.808 20 5 FFBDHN Cc1cc(-c2nc(-c3ccc4c(n3)CCNC4)no2)cc([N+](=O)[O-])c1C ZINC001217096928 1032609117 /nfs/dbraw/zinc/60/91/17/1032609117.db2.gz KGBBMEXLSDXOBD-UHFFFAOYSA-N 0 3 351.366 2.969 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC(N3CCCCC3)C2)c1F ZINC001173197333 1012341585 /nfs/dbraw/zinc/34/15/85/1012341585.db2.gz TVABJDBKIARMBT-CYBMUJFWSA-N 0 3 351.422 2.844 20 5 FFBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(CCc2ccncc2)CC1 ZINC001173225021 1012359223 /nfs/dbraw/zinc/35/92/23/1012359223.db2.gz AWEUAUXEIMYWGY-QGZVFWFLSA-N 0 3 354.454 2.781 20 5 FFBDHN COc1cc(C)nc(O[C@@H]2CCN([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001173237129 1012382825 /nfs/dbraw/zinc/38/28/25/1012382825.db2.gz IAZCJIVNXHLWAZ-RHSMWYFYSA-N 0 3 372.425 2.786 20 5 FFBDHN O=[N+]([O-])c1ccccc1CN(CCO[C@H]1CCOC1)[C@H]1CC[C@H](O)CC1 ZINC000930809885 1020197630 /nfs/dbraw/zinc/19/76/30/1020197630.db2.gz OVRKFGNHZFNJQD-BZSNNMDCSA-N 0 3 364.442 2.506 20 5 FFBDHN COc1cc(O[C@H]2CC[NH2+][C@@H](C)C2)c2c(c1)oc1c([O-])ccc(O)c1c2=O ZINC001218052458 1032974118 /nfs/dbraw/zinc/97/41/18/1032974118.db2.gz BJKPHNREQJSPRV-QWRGUYRKSA-N 0 3 371.389 2.885 20 5 FFBDHN Cc1cncc([N+](=O)[O-])c1NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC001117262773 1021629426 /nfs/dbraw/zinc/62/94/26/1021629426.db2.gz HNAWARKIMGDFAJ-UHFFFAOYSA-N 0 3 358.364 2.937 20 5 FFBDHN COC(=O)[C@@H]1CCC[C@H]1N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC001117305201 1021647726 /nfs/dbraw/zinc/64/77/26/1021647726.db2.gz PUMKLDSRKKNVSZ-IRUJWGPZSA-N 0 3 369.805 2.507 20 5 FFBDHN CC(C)Cc1ccc(CN2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001017543472 1022247874 /nfs/dbraw/zinc/24/78/74/1022247874.db2.gz DAXKWEKWJNCVKZ-IYWMVGAKSA-N 0 3 371.481 2.726 20 5 FFBDHN C/C(=C\C(=O)N1CCCN(C[C@H]2CCCO2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000751690050 1022911872 /nfs/dbraw/zinc/91/18/72/1022911872.db2.gz YEDWAWLCUWRYNG-JRJUITNWSA-N 0 3 373.453 2.711 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2ccncc2C(F)(F)F)c1 ZINC001120511388 1023345057 /nfs/dbraw/zinc/34/50/57/1023345057.db2.gz LIYBZOPQHLYYNN-CYBMUJFWSA-N 0 3 371.315 2.538 20 5 FFBDHN Cc1cc2ncn(C[C@H](O)CNCc3ccc([N+](=O)[O-])cc3)c2cc1C ZINC001120572727 1023366988 /nfs/dbraw/zinc/36/69/88/1023366988.db2.gz YAADHUZBBVEUAX-QGZVFWFLSA-N 0 3 354.410 2.712 20 5 FFBDHN COc1cc(O[C@@H]2CC[C@@H](C)[NH2+]C2)c2c(c1)oc1c([O-])ccc(O)c1c2=O ZINC001218399076 1033138118 /nfs/dbraw/zinc/13/81/18/1033138118.db2.gz NQJGJBMFGWZXDU-GHMZBOCLSA-N 0 3 371.389 2.885 20 5 FFBDHN COc1cc(O[C@H]2CC[NH2+]C[C@@H]2C)c2c(c1)oc1c([O-])ccc(O)c1c2=O ZINC001218419085 1033149278 /nfs/dbraw/zinc/14/92/78/1033149278.db2.gz KHXXPAHRMVVQCI-HZMBPMFUSA-N 0 3 371.389 2.743 20 5 FFBDHN O=[N+]([O-])c1cc(Br)cc(F)c1O[C@@H]1CNCCC1(F)F ZINC001218446055 1033158579 /nfs/dbraw/zinc/15/85/79/1033158579.db2.gz ATBHULJIJKKWHG-SECBINFHSA-N 0 3 355.110 2.872 20 5 FFBDHN CCC(CC)(CN[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C(=O)OC ZINC000192704750 1024252998 /nfs/dbraw/zinc/25/29/98/1024252998.db2.gz GNBKWAFAFUXUEU-ZDUSSCGKSA-N 0 3 365.430 2.799 20 5 FFBDHN O=[N+]([O-])c1ccc2oc(CO[C@H]3CC[C@@H](N4CCOCC4)CC3)nc2c1 ZINC001222931599 1033209237 /nfs/dbraw/zinc/20/92/37/1033209237.db2.gz LQQZCHJWNQZHPW-OTVXOJSOSA-N 0 3 361.398 2.896 20 5 FFBDHN NCc1ccc2c(n1)N(c1ccc(-c3ccccc3[N+](=O)[O-])nn1)CCC2 ZINC001158656279 1027087163 /nfs/dbraw/zinc/08/71/63/1027087163.db2.gz XEKIFUMBSQJXPP-UHFFFAOYSA-N 0 3 362.393 2.990 20 5 FFBDHN Cc1c(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000249948061 1028410547 /nfs/dbraw/zinc/41/05/47/1028410547.db2.gz ZUIGOERPKCBCHM-NEPJUHHUSA-N 0 3 364.402 2.662 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1 ZINC001165089303 1029381190 /nfs/dbraw/zinc/38/11/90/1029381190.db2.gz TUBMRDFKGLAKAP-GOEBONIOSA-N 0 3 374.828 2.592 20 5 FFBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000782093166 1029565899 /nfs/dbraw/zinc/56/58/99/1029565899.db2.gz YUBOSNRILHYYJJ-CVEARBPZSA-N 0 3 370.327 2.970 20 5 FFBDHN Cc1ncc([N+](=O)[O-])c(N(Cc2ccc(F)cc2)C2CCN(C)CC2)n1 ZINC001158449049 1029831332 /nfs/dbraw/zinc/83/13/32/1029831332.db2.gz NSBFCRYIJKIVRO-UHFFFAOYSA-N 0 3 359.405 2.933 20 5 FFBDHN CN1CCC(N(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])C2CCCC2)CC1 ZINC001158487581 1029840160 /nfs/dbraw/zinc/84/01/60/1029840160.db2.gz IFERDALLMZKZGA-UHFFFAOYSA-N 0 3 354.838 2.725 20 5 FFBDHN COc1ccc(CN[C@H](COC(N)=O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000840961246 1029946441 /nfs/dbraw/zinc/94/64/41/1029946441.db2.gz TWRSOSXQFDQAFS-HNNXBMFYSA-N 0 3 359.382 2.814 20 5 FFBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831538927 1034117424 /nfs/dbraw/zinc/11/74/24/1034117424.db2.gz JOPZITHWHBKKKJ-HNNXBMFYSA-N 0 3 372.381 2.544 20 5 FFBDHN O=[N+]([O-])c1c([O-])ccnc1O[C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001225667381 1034360223 /nfs/dbraw/zinc/36/02/23/1034360223.db2.gz RRHMZPJELQZTQM-HWWDLCQESA-N 0 3 355.394 2.985 20 5 FFBDHN O=[N+]([O-])c1c([O-])ccnc1O[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001225667381 1034360226 /nfs/dbraw/zinc/36/02/26/1034360226.db2.gz RRHMZPJELQZTQM-HWWDLCQESA-N 0 3 355.394 2.985 20 5 FFBDHN COC(=O)c1cc(O[C@@H]2CCCN(C(C)C)C2)c(OC)cc1[N+](=O)[O-] ZINC001226438539 1034683999 /nfs/dbraw/zinc/68/39/99/1034683999.db2.gz HNIKBVHWDYVJBN-GFCCVEGCSA-N 0 3 352.387 2.642 20 5 FFBDHN COCCN1CCC(Oc2ccc([N+](=O)[O-])c(Br)c2)CC1 ZINC001229085659 1036491724 /nfs/dbraw/zinc/49/17/24/1036491724.db2.gz GSSQTQSORDZQQV-UHFFFAOYSA-N 0 3 359.220 2.847 20 5 FFBDHN CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3nccc4c3cccc4[N+](=O)[O-])C[C@H]1N2C ZINC001234677284 1037137538 /nfs/dbraw/zinc/13/75/38/1037137538.db2.gz TYTHWVLGTKQLOL-RPLLJCPNSA-N 0 3 371.393 2.689 20 5 FFBDHN COc1cccc(-c2noc(C[C@@H](N)c3ccccc3[N+](=O)[O-])n2)c1OC ZINC001249341797 1040692964 /nfs/dbraw/zinc/69/29/64/1040692964.db2.gz BCNLHRQDPZRBDU-CYBMUJFWSA-N 0 3 370.365 2.905 20 5 FFBDHN COc1cc(O[C@H]2CCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)ccn1 ZINC001254605390 1040835386 /nfs/dbraw/zinc/83/53/86/1040835386.db2.gz BNQXGHOGWQDNMU-AEFFLSMTSA-N 0 3 355.394 2.619 20 5 FFBDHN COC(=O)[C@H]1CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)Cc2ccccc21 ZINC001254609383 1040836264 /nfs/dbraw/zinc/83/62/64/1040836264.db2.gz VYBSYHDQMRBWLI-HKUYNNGSSA-N 0 3 352.390 2.834 20 5 FFBDHN Cc1cncnc1OC1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254610070 1040837431 /nfs/dbraw/zinc/83/74/31/1040837431.db2.gz HUJRDUKTDZETME-KRWDZBQOSA-N 0 3 354.410 2.704 20 5 FFBDHN Cc1cncnc1OC1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254610071 1040837475 /nfs/dbraw/zinc/83/74/75/1040837475.db2.gz HUJRDUKTDZETME-QGZVFWFLSA-N 0 3 354.410 2.704 20 5 FFBDHN COc1cc(F)c([N+](=O)[O-])cc1-c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001216955310 1042171659 /nfs/dbraw/zinc/17/16/59/1042171659.db2.gz NJLNBTPQWGPDHA-UHFFFAOYSA-N 0 3 371.328 2.500 20 5 FFBDHN CN1CCCC[C@@H]1CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC001539397626 1070631235 /nfs/dbraw/zinc/63/12/35/1070631235.db2.gz VEANEKQBKZMJLL-CYBMUJFWSA-N 0 3 355.822 2.618 20 5 FFBDHN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C12CCCN1CCC2 ZINC001322274374 1046023683 /nfs/dbraw/zinc/02/36/83/1046023683.db2.gz VWRPXLMESNNTNK-UHFFFAOYSA-N 0 3 354.204 2.924 20 5 FFBDHN COc1ccccc1[C@H](CNc1c(C)cncc1[N+](=O)[O-])N1CCCC1 ZINC001322465111 1046093946 /nfs/dbraw/zinc/09/39/46/1046093946.db2.gz IFWUKLMYXIMWFN-INIZCTEOSA-N 0 3 356.426 2.978 20 5 FFBDHN Cc1ccc([C@H](C)NCCN2C(=O)COc3ccccc32)cc1[N+](=O)[O-] ZINC001341684612 1050306808 /nfs/dbraw/zinc/30/68/08/1050306808.db2.gz PQJYBMXDRXKVNZ-AWEZNQCLSA-N 0 3 355.394 2.979 20 5 FFBDHN O=C(c1csc([N+](=O)[O-])c1)N1C[C@@H](C[C@@H]2COCCN2)c2ccccc21 ZINC001342758917 1051374716 /nfs/dbraw/zinc/37/47/16/1051374716.db2.gz SUPZEBQRSFFYGJ-TZMCWYRMSA-N 0 3 373.434 2.779 20 5 FFBDHN C[C@@H]1CN[C@@H](C)[C@@H](C)N1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001341145766 1051496088 /nfs/dbraw/zinc/49/60/88/1051496088.db2.gz RJLSLRGSABQCSK-GRYCIOLGSA-N 0 3 360.439 2.929 20 5 FFBDHN C[C@@H]1CCC[C@@H](CN(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001307851205 1052356662 /nfs/dbraw/zinc/35/66/62/1052356662.db2.gz MKCMRTSWOQVGEZ-HUUCEWRRSA-N 0 3 369.487 2.631 20 5 FFBDHN COc1cccc([C@@H]2CN(Cc3cc([N+](=O)[O-])ccc3OC)CCN2)c1 ZINC001308022616 1052387006 /nfs/dbraw/zinc/38/70/06/1052387006.db2.gz QAVAGBHJVHHNLA-SFHVURJKSA-N 0 3 357.410 2.759 20 5 FFBDHN O=[N+]([O-])c1ccc(C(F)(F)F)cc1N1CC[C@H]2[C@H]1CCCN2CCO ZINC001346068360 1052731463 /nfs/dbraw/zinc/73/14/63/1052731463.db2.gz MPDVNYXPZIHNJX-QWHCGFSZSA-N 0 3 359.348 2.649 20 5 FFBDHN O=[N+]([O-])c1cccc([C@@H](O)CNC[C@](O)(c2ccccc2)C(F)(F)F)c1 ZINC001335367780 1053320586 /nfs/dbraw/zinc/32/05/86/1053320586.db2.gz VQSHJGBOQSDFKX-HOTGVXAUSA-N 0 3 370.327 2.668 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H](O)CNC[C@@](O)(c2ccccc2)C(F)(F)F)cc1 ZINC001356586691 1055598191 /nfs/dbraw/zinc/59/81/91/1055598191.db2.gz VWPZGMIANISAOH-JKSUJKDBSA-N 0 3 370.327 2.668 20 5 FFBDHN C[C@@H](c1nnc(N2CCN(CCC(C)(C)C)CC2)n1CC1CC1)[N+](=O)[O-] ZINC001350518323 1055812543 /nfs/dbraw/zinc/81/25/43/1055812543.db2.gz MBABQHICOBBVFN-AWEZNQCLSA-N 0 3 364.494 2.584 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849597328 1056937983 /nfs/dbraw/zinc/93/79/83/1056937983.db2.gz SFOVPIGLQNCLQH-HZPDHXFCSA-N 0 3 371.441 2.619 20 5 FFBDHN C[C@@H](COC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CCCCC1 ZINC000847962408 1058526373 /nfs/dbraw/zinc/52/63/73/1058526373.db2.gz GDPVERWLISTBQU-AWEZNQCLSA-N 0 3 358.398 2.812 20 5 FFBDHN COC1CCC(N(C)CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000848479090 1060107591 /nfs/dbraw/zinc/10/75/91/1060107591.db2.gz QMNWNJUTCUVSSQ-VMWRSERWSA-N 0 3 361.442 2.758 20 5 FFBDHN O=C(NC[C@@H]1NCCc2ccccc21)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001521540947 1060949283 /nfs/dbraw/zinc/94/92/83/1060949283.db2.gz OEQYXNJAIWSOPD-FHWLQOOXSA-N 0 3 351.406 2.702 20 5 FFBDHN Cc1c(NC(=O)CCN2CC[C@@H](c3ncccn3)C2)cccc1[N+](=O)[O-] ZINC001460847048 1061128456 /nfs/dbraw/zinc/12/84/56/1061128456.db2.gz HMZLELURAPUFKQ-CQSZACIVSA-N 0 3 355.398 2.511 20 5 FFBDHN O=C1[C@H](N2CCCC[C@H]([C@@H]3CCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC001460925358 1061152262 /nfs/dbraw/zinc/15/22/62/1061152262.db2.gz SUKCCOSTYJWICJ-FRQCXROJSA-N 0 3 373.453 2.839 20 5 FFBDHN Cc1cccc(CN2CC[C@H](NC(=O)COc3cccc([N+](=O)[O-])c3)C2)c1 ZINC001470710394 1064421679 /nfs/dbraw/zinc/42/16/79/1064421679.db2.gz CTWJHLUFDXKYSW-KRWDZBQOSA-N 0 3 369.421 2.673 20 5 FFBDHN COC(=O)c1cnc(N[C@H]2CCN(Cc3cccc(C)c3)C2)c([N+](=O)[O-])c1 ZINC001472844318 1065155908 /nfs/dbraw/zinc/15/59/08/1065155908.db2.gz MOFVKUGGPPQJBB-INIZCTEOSA-N 0 3 370.409 2.771 20 5 FFBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001568640293 1077104409 /nfs/dbraw/zinc/10/44/09/1077104409.db2.gz CEOJGGFRUHLPLY-NSHDSACASA-N 0 3 372.828 2.820 20 5 FFBDHN Cn1cc(CN2C[C@H]3CCC[C@@H](C2)C3O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093479631 250036373 /nfs/dbraw/zinc/03/63/73/250036373.db2.gz HUGQXDHQGMHRFF-RTHVDDQRSA-N 0 3 356.426 2.588 20 5 FFBDHN CC(=O)N(C)C1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000104677176 250182455 /nfs/dbraw/zinc/18/24/55/250182455.db2.gz YYBUWUYNGHKMPQ-UHFFFAOYSA-N 0 3 372.425 2.735 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCN(C3CCCC3)C2)cc1C ZINC000106891193 250295788 /nfs/dbraw/zinc/29/57/88/250295788.db2.gz JXMMKJSWBRFXBN-CQSZACIVSA-N 0 3 367.471 2.507 20 5 FFBDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000153270333 251120783 /nfs/dbraw/zinc/12/07/83/251120783.db2.gz VEYIHSIALQBVGZ-AWEZNQCLSA-N 0 3 369.425 2.527 20 5 FFBDHN CN(CCN(C)C1CC1)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000186804727 251267769 /nfs/dbraw/zinc/26/77/69/251267769.db2.gz RTJJXAZENAADGB-UHFFFAOYSA-N 0 3 356.220 2.524 20 5 FFBDHN COc1cc(CNC(C)(C)C(C)(C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000272596684 252076188 /nfs/dbraw/zinc/07/61/88/252076188.db2.gz NYHAOCBEPWSXLK-UHFFFAOYSA-N 0 3 362.373 2.886 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C2=CCN(C)CC2)cc1SC ZINC000272625321 252084445 /nfs/dbraw/zinc/08/44/45/252084445.db2.gz APXATACKJWAVFU-LLVKDONJSA-N 0 3 365.455 2.706 20 5 FFBDHN O=[N+]([O-])c1cnc(NCc2ccccc2CN2CC[C@@H](O)C2)c(Cl)c1 ZINC000273049832 252200539 /nfs/dbraw/zinc/20/05/39/252200539.db2.gz BIDBOGLHHPOSDQ-OAHLLOKOSA-N 0 3 362.817 2.822 20 5 FFBDHN C[C@H]1C[C@H](N2CCCC2)CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000285731607 257001813 /nfs/dbraw/zinc/00/18/13/257001813.db2.gz XOSMOBABGLRCCN-JSGCOSHPSA-N 0 3 366.849 2.745 20 5 FFBDHN CS[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1N1CCCC1 ZINC000275810993 256050524 /nfs/dbraw/zinc/05/05/24/256050524.db2.gz QAGVQHZPMOLNBB-LSDHHAIUSA-N 0 3 350.444 2.638 20 5 FFBDHN CN(C)CCc1ccccc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000275923484 256059404 /nfs/dbraw/zinc/05/94/04/256059404.db2.gz XDVBPNFOVICUNC-UHFFFAOYSA-N 0 3 357.366 2.680 20 5 FFBDHN CCOCCOCCN(C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000276273777 256085651 /nfs/dbraw/zinc/08/56/51/256085651.db2.gz QLASNDCXKSQRJS-UHFFFAOYSA-N 0 3 363.414 2.777 20 5 FFBDHN O=[N+]([O-])c1ccc2[nH]c(NCc3ccccc3CN3CC[C@@H](O)C3)nc2c1 ZINC000278431711 256312037 /nfs/dbraw/zinc/31/20/37/256312037.db2.gz JNRGVABUPYHPEM-MRXNPFEDSA-N 0 3 367.409 2.650 20 5 FFBDHN CCOC(=O)[C@@H]1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000278677178 256337661 /nfs/dbraw/zinc/33/76/61/256337661.db2.gz LZPFIQOYHMUCKQ-MBNYWOFBSA-N 0 3 360.414 2.929 20 5 FFBDHN COc1cc(CN[C@@H](CO)C(C)(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000278717299 256340969 /nfs/dbraw/zinc/34/09/69/256340969.db2.gz KLMURFXGIVDHBW-AWEZNQCLSA-N 0 3 362.373 2.744 20 5 FFBDHN Cc1cc(NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000278338313 256301349 /nfs/dbraw/zinc/30/13/49/256301349.db2.gz BXECYHDCBKDUAV-CQSZACIVSA-N 0 3 362.430 2.620 20 5 FFBDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000278919915 256362138 /nfs/dbraw/zinc/36/21/38/256362138.db2.gz UQQGSPWFMDPBSA-ZDUSSCGKSA-N 0 3 353.850 2.933 20 5 FFBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000285811588 257006185 /nfs/dbraw/zinc/00/61/85/257006185.db2.gz NJAVOBNTRHZPSU-CJNGLKHVSA-N 0 3 358.442 2.868 20 5 FFBDHN CN(CCc1nc(-c2ccccc2)no1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285880747 257009483 /nfs/dbraw/zinc/00/94/83/257009483.db2.gz JKCKREACFLNXFI-KRWDZBQOSA-N 0 3 368.393 2.853 20 5 FFBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000286619224 257046275 /nfs/dbraw/zinc/04/62/75/257046275.db2.gz AHNRLQKIWOWTRO-NVXWUHKLSA-N 0 3 372.469 2.894 20 5 FFBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000288169132 257154777 /nfs/dbraw/zinc/15/47/77/257154777.db2.gz AXNHWHDQOJUYDP-UONOGXRCSA-N 0 3 354.410 2.842 20 5 FFBDHN Cc1c(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000288550596 257203976 /nfs/dbraw/zinc/20/39/76/257203976.db2.gz VNHVYTPADQYJDI-RISCZKNCSA-N 0 3 362.386 2.510 20 5 FFBDHN C[C@@H](NC[C@](C)(O)CNC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000289378067 257277337 /nfs/dbraw/zinc/27/73/37/257277337.db2.gz PCNPQZYPIJWSLF-PXAZEXFGSA-N 0 3 353.419 2.521 20 5 FFBDHN C[C@@H](NC[C@@](C)(O)CNC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000289378071 257277355 /nfs/dbraw/zinc/27/73/55/257277355.db2.gz PCNPQZYPIJWSLF-SJKOYZFVSA-N 0 3 353.419 2.521 20 5 FFBDHN Cc1ccc([C@H](C)NC[C@@](C)(O)CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000289661478 257292556 /nfs/dbraw/zinc/29/25/56/257292556.db2.gz XYNLPGFVSHXGSL-SCLBCKFNSA-N 0 3 367.446 2.830 20 5 FFBDHN Cc1nc2ccccn2c(=O)c1CCN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000289663511 257292578 /nfs/dbraw/zinc/29/25/78/257292578.db2.gz YCOVWOFXJKWTEG-ZDUSSCGKSA-N 0 3 352.394 2.804 20 5 FFBDHN Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000290546232 257340086 /nfs/dbraw/zinc/34/00/86/257340086.db2.gz ORIGTMHQYFMPFY-SMDDNHRTSA-N 0 3 362.386 2.510 20 5 FFBDHN Cc1nn(C)c(N2CCCN(CCCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000301137719 258027820 /nfs/dbraw/zinc/02/78/20/258027820.db2.gz DBXNJJWVPRALJN-UHFFFAOYSA-N 0 3 357.458 2.782 20 5 FFBDHN O=[N+]([O-])c1cnc2ccc(N[C@@H](CN3CCCC3)c3ccccc3)nn21 ZINC000301840489 258070279 /nfs/dbraw/zinc/07/02/79/258070279.db2.gz OXOIOALHIPSLOR-HNNXBMFYSA-N 0 3 352.398 2.887 20 5 FFBDHN C[C@@H]1C[C@H](C)CN(CCCNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301883662 258072749 /nfs/dbraw/zinc/07/27/49/258072749.db2.gz LEINFLFTARUVAS-OKILXGFUSA-N 0 3 369.487 2.778 20 5 FFBDHN O=[N+]([O-])c1cnc2ccc(N[C@@H]3CCCN(Cc4ccccc4)C3)nn21 ZINC000301946210 258077326 /nfs/dbraw/zinc/07/73/26/258077326.db2.gz XKAOWWFQOFCMFT-OAHLLOKOSA-N 0 3 352.398 2.714 20 5 FFBDHN C[C@H]1C[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)CN1Cc1ccccc1 ZINC000301975101 258079296 /nfs/dbraw/zinc/07/92/96/258079296.db2.gz VRNZXIZBMRZTPX-DZGCQCFKSA-N 0 3 352.398 2.712 20 5 FFBDHN C[C@@H]1CN(CC2CCN(Cc3csc([N+](=O)[O-])c3)CC2)C[C@@H](C)O1 ZINC000330427434 258163809 /nfs/dbraw/zinc/16/38/09/258163809.db2.gz KLCXZVCISANDLQ-ZIAGYGMSSA-N 0 3 353.488 2.978 20 5 FFBDHN CS[C@H]1CN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C[C@H]1N(C)C ZINC000330646134 258167355 /nfs/dbraw/zinc/16/73/55/258167355.db2.gz GTUFZISLINYBRT-KGLIPLIRSA-N 0 3 351.472 2.638 20 5 FFBDHN CN1CCN(CC2(C)CCN(Cc3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000332137633 258215646 /nfs/dbraw/zinc/21/56/46/258215646.db2.gz QBZVZWHGBULBPK-UHFFFAOYSA-N 0 3 364.465 2.583 20 5 FFBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000332164847 258217083 /nfs/dbraw/zinc/21/70/83/258217083.db2.gz KNUAWITVWHKRTD-AAEUAGOBSA-N 0 3 369.368 2.895 20 5 FFBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000332295273 258223644 /nfs/dbraw/zinc/22/36/44/258223644.db2.gz LYSFUHOOKXORCL-CHWSQXEVSA-N 0 3 369.368 2.753 20 5 FFBDHN C[C@H]1CN2CCCC[C@@H]2CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000332474802 258231783 /nfs/dbraw/zinc/23/17/83/258231783.db2.gz KZQJCBUARLCRDO-GXTWGEPZSA-N 0 3 366.849 2.745 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1C ZINC000332656359 258239415 /nfs/dbraw/zinc/23/94/15/258239415.db2.gz JQUOXJYLIIKZTB-WCQYABFASA-N 0 3 360.439 2.931 20 5 FFBDHN CCOc1ccc(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000032245616 506235828 /nfs/dbraw/zinc/23/58/28/506235828.db2.gz PHYSDWBVQIDNHH-QGZVFWFLSA-N 0 3 371.437 2.896 20 5 FFBDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000373285941 512256355 /nfs/dbraw/zinc/25/63/55/512256355.db2.gz PWSIPULUJGREOR-CYBMUJFWSA-N 0 3 353.850 2.933 20 5 FFBDHN COc1cc(C(=O)NCC(C)(C)N2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000042159582 506603689 /nfs/dbraw/zinc/60/36/89/506603689.db2.gz JTMHERRJYFONSL-UHFFFAOYSA-N 0 3 365.430 2.606 20 5 FFBDHN C[C@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC(C)CC1 ZINC000067270548 506812109 /nfs/dbraw/zinc/81/21/09/506812109.db2.gz PPUUZRKCQLGOBQ-OAHLLOKOSA-N 0 3 371.441 2.631 20 5 FFBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(CCC(C)(C)C)CC1 ZINC000055935827 506891280 /nfs/dbraw/zinc/89/12/80/506891280.db2.gz SBESJKRJEPCFFS-HNNXBMFYSA-N 0 3 362.474 2.976 20 5 FFBDHN O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000067536291 506914241 /nfs/dbraw/zinc/91/42/41/506914241.db2.gz WXNBGAVNUZAVFT-KRWDZBQOSA-N 0 3 354.410 2.669 20 5 FFBDHN CC(C)(CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000045119044 506920800 /nfs/dbraw/zinc/92/08/00/506920800.db2.gz RRZUKRUYGBKXST-UHFFFAOYSA-N 0 3 363.462 2.570 20 5 FFBDHN C[C@H]1C[C@H](C)C[NH+](CCCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000056067418 506923528 /nfs/dbraw/zinc/92/35/28/506923528.db2.gz NKLBFXLIHVXYLD-GJZGRUSLSA-N 0 3 369.487 2.631 20 5 FFBDHN COc1ccc(CC(=O)NC[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000067790235 507009884 /nfs/dbraw/zinc/00/98/84/507009884.db2.gz FUUQCKTVXYLPPN-QGZVFWFLSA-N 0 3 357.410 2.565 20 5 FFBDHN C[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)N(C)C1CC1 ZINC000057705548 507311571 /nfs/dbraw/zinc/31/15/71/507311571.db2.gz UEUKNUVGWYBGAY-LLVKDONJSA-N 0 3 360.439 2.931 20 5 FFBDHN COc1ccc([C@H](C)NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1F ZINC000024102449 507392774 /nfs/dbraw/zinc/39/27/74/507392774.db2.gz ZCPMAWFGMNPGIO-SWLSCSKDSA-N 0 3 364.373 2.833 20 5 FFBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000059001080 507491207 /nfs/dbraw/zinc/49/12/07/507491207.db2.gz BUSDVGKANVZQME-UHFFFAOYSA-N 0 3 351.403 2.999 20 5 FFBDHN Cc1ccc(OCCN(C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000025699655 507524210 /nfs/dbraw/zinc/52/42/10/507524210.db2.gz WAHNRPTVLWRIOQ-KRWDZBQOSA-N 0 3 360.410 2.654 20 5 FFBDHN CCN1CCC(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000026362533 507582027 /nfs/dbraw/zinc/58/20/27/507582027.db2.gz KTYRLRQYSSPZJD-UHFFFAOYSA-N 0 3 363.461 2.755 20 5 FFBDHN COc1ccc([C@H](CNCc2ccc([N+](=O)[O-])cc2)N2CCOCC2)cc1 ZINC000061013000 507589913 /nfs/dbraw/zinc/58/99/13/507589913.db2.gz ICOSZACONDZJPM-FQEVSTJZSA-N 0 3 371.437 2.767 20 5 FFBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cc2ccccc2c2cccnc12 ZINC000064353925 507792331 /nfs/dbraw/zinc/79/23/31/507792331.db2.gz WRKNZRAVCLNKJA-DLBZAZTESA-N 0 3 361.445 2.981 20 5 FFBDHN CCOc1ccc([C@@H](C)NCCc2cccc(C(N)=O)c2)cc1[N+](=O)[O-] ZINC000089545827 507846736 /nfs/dbraw/zinc/84/67/36/507846736.db2.gz JFDXFUBOWODWNR-CYBMUJFWSA-N 0 3 357.410 2.986 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](C)S[C@@H](C)C1 ZINC000072770545 507851583 /nfs/dbraw/zinc/85/15/83/507851583.db2.gz CLIYKDPSLHOAPA-RYUDHWBXSA-N 0 3 353.444 2.758 20 5 FFBDHN C[C@H](CN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000090091925 507908153 /nfs/dbraw/zinc/90/81/53/507908153.db2.gz LPBNXAGRTLMXIJ-OAHLLOKOSA-N 0 3 355.442 2.705 20 5 FFBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(N3CCCC3)c([N+](=O)[O-])c1)C2 ZINC000073989080 507974475 /nfs/dbraw/zinc/97/44/75/507974475.db2.gz VKJJMSKEPQOCHM-JKSUJKDBSA-N 0 3 358.442 2.504 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000092602498 508085985 /nfs/dbraw/zinc/08/59/85/508085985.db2.gz OGPLIYGOPGWWCZ-INIZCTEOSA-N 0 3 361.442 2.503 20 5 FFBDHN CN1CCN(CCCNc2ccc([N+](=O)[O-])nc2)[C@H](c2ccccc2)C1 ZINC000075667779 508126531 /nfs/dbraw/zinc/12/65/31/508126531.db2.gz WKWAJUDDIXPOLG-SFHVURJKSA-N 0 3 355.442 2.781 20 5 FFBDHN CN1CC[C@@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000377654653 512379796 /nfs/dbraw/zinc/37/97/96/512379796.db2.gz RMBZFZYEHPOJDX-APWZRJJASA-N 0 3 372.400 2.707 20 5 FFBDHN CCc1nn(C)c(CC)c1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534951 508148252 /nfs/dbraw/zinc/14/82/52/508148252.db2.gz TUAPCIQZFUUDQX-ZDUSSCGKSA-N 0 3 358.446 2.535 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC(c2ccccc2)c2ccccc2)c1 ZINC000077221244 508288897 /nfs/dbraw/zinc/28/88/97/508288897.db2.gz YLOJAPUKGNOUKS-SFHVURJKSA-N 0 3 352.394 2.531 20 5 FFBDHN CC(C)C[C@H](CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000114377781 508308151 /nfs/dbraw/zinc/30/81/51/508308151.db2.gz YJIYDSGRQYJPPN-MRXNPFEDSA-N 0 3 373.457 2.701 20 5 FFBDHN CCc1ccc(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000085457641 508309651 /nfs/dbraw/zinc/30/96/51/508309651.db2.gz LXUVWFSXHJEKAM-GASCZTMLSA-N 0 3 363.458 2.776 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000152280872 508414848 /nfs/dbraw/zinc/41/48/48/508414848.db2.gz KBNAVHRAMPMIFJ-GOEBONIOSA-N 0 3 357.414 2.503 20 5 FFBDHN CN(C)CCn1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000127384091 508442015 /nfs/dbraw/zinc/44/20/15/508442015.db2.gz SFHVZWZGKOQKJD-UHFFFAOYSA-N 0 3 352.782 2.650 20 5 FFBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000133774900 508447534 /nfs/dbraw/zinc/44/75/34/508447534.db2.gz RKNZWISIAGOVIL-CYBMUJFWSA-N 0 3 370.837 2.823 20 5 FFBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000152454515 508450229 /nfs/dbraw/zinc/45/02/29/508450229.db2.gz NNPNIXXICKMANO-CQSZACIVSA-N 0 3 357.414 2.780 20 5 FFBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@](C)(O)c1cccs1 ZINC000156941804 508500730 /nfs/dbraw/zinc/50/07/30/508500730.db2.gz SVKUUGSFLKRJLM-SJKOYZFVSA-N 0 3 363.439 2.871 20 5 FFBDHN Cc1cc(C(=O)NCc2ccccc2OCCN(C)C)ccc1[N+](=O)[O-] ZINC000122786283 508586646 /nfs/dbraw/zinc/58/66/46/508586646.db2.gz AZYWIIGLCWOKNA-UHFFFAOYSA-N 0 3 357.410 2.774 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000122869451 508599781 /nfs/dbraw/zinc/59/97/81/508599781.db2.gz JOMUZRXDUWQKCF-OAHLLOKOSA-N 0 3 372.425 2.898 20 5 FFBDHN CN(C)Cc1ccc(CNC(=O)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000129085803 508680460 /nfs/dbraw/zinc/68/04/60/508680460.db2.gz GJUSDUNEXHJTQD-UHFFFAOYSA-N 0 3 357.410 2.742 20 5 FFBDHN CC(C)C[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)C(=O)NCCN(C)C ZINC000129490197 508732254 /nfs/dbraw/zinc/73/22/54/508732254.db2.gz FDTPHKOUDVYJFR-KRWDZBQOSA-N 0 3 373.457 2.647 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000159165013 508801978 /nfs/dbraw/zinc/80/19/78/508801978.db2.gz WKSHBCDVIIPHOZ-MRXNPFEDSA-N 0 3 369.469 2.901 20 5 FFBDHN COc1ccc(NC(=O)CCN2CC[C@H](OCC(C)C)C2)c([N+](=O)[O-])c1 ZINC000120075772 508923432 /nfs/dbraw/zinc/92/34/32/508923432.db2.gz PBXCENYUNPKSMB-HNNXBMFYSA-N 0 3 365.430 2.679 20 5 FFBDHN COc1cc(CNC2(CO)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000120339487 508976526 /nfs/dbraw/zinc/97/65/26/508976526.db2.gz KMLRWFHKFHJFRM-UHFFFAOYSA-N 0 3 358.394 2.797 20 5 FFBDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000132213811 509005537 /nfs/dbraw/zinc/00/55/37/509005537.db2.gz ZSIDSZQTBWXOLQ-MRXNPFEDSA-N 0 3 373.478 2.976 20 5 FFBDHN CCC(CC)(CNCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OC ZINC000120782513 509063447 /nfs/dbraw/zinc/06/34/47/509063447.db2.gz DBGGUBJLWZVZHS-UHFFFAOYSA-N 0 3 371.821 2.756 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CCC(C[NH+](C)C)CC2)cc1C ZINC000151796221 509085202 /nfs/dbraw/zinc/08/52/02/509085202.db2.gz WMQZWQLYYBLEAD-UHFFFAOYSA-N 0 3 369.487 2.610 20 5 FFBDHN CC(C)c1ccc([C@H](N)CNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000151958747 509118730 /nfs/dbraw/zinc/11/87/30/509118730.db2.gz WFYACUXCVCMECR-GOSISDBHSA-N 0 3 357.410 2.913 20 5 FFBDHN CCN1CCC[C@@H]1CNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000162973141 509326004 /nfs/dbraw/zinc/32/60/04/509326004.db2.gz AYXOYYYVYTUQIH-GFCCVEGCSA-N 0 3 370.247 2.880 20 5 FFBDHN CCN1CCC[C@@H]1CN(C)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000186013107 509479877 /nfs/dbraw/zinc/47/98/77/509479877.db2.gz NRTMMNYWPMHBNV-CQSZACIVSA-N 0 3 354.838 2.874 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H]2CCCc3c(O)cccc32)c1 ZINC000192364060 509484382 /nfs/dbraw/zinc/48/43/82/509484382.db2.gz CJZJLXINUOKCLN-KBXCAEBGSA-N 0 3 358.394 2.707 20 5 FFBDHN COC(=O)c1cnc(NC[C@@H](C)N(C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000189288364 509502707 /nfs/dbraw/zinc/50/27/07/509502707.db2.gz XBLIGQMGIPELRZ-CYBMUJFWSA-N 0 3 358.398 2.709 20 5 FFBDHN CC(C)c1ccc([C@H]([NH3+])C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000236782884 509503445 /nfs/dbraw/zinc/50/34/45/509503445.db2.gz SEIXBMAQTHOAOB-CYBMUJFWSA-N 0 3 369.468 2.758 20 5 FFBDHN CCC[C@H](N[C@H](C(=O)N1CCOCC1)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000164928166 509546100 /nfs/dbraw/zinc/54/61/00/509546100.db2.gz CFIMAJAOHHNODL-ROUUACIJSA-N 0 3 363.458 2.909 20 5 FFBDHN C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183018787 509550382 /nfs/dbraw/zinc/55/03/82/509550382.db2.gz OKONZCAESCBHFO-NWDGAFQWSA-N 0 3 373.500 2.588 20 5 FFBDHN C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183018787 509550391 /nfs/dbraw/zinc/55/03/91/509550391.db2.gz OKONZCAESCBHFO-NWDGAFQWSA-N 0 3 373.500 2.588 20 5 FFBDHN COC(=O)C[C@H]1CCCCN1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000165698178 509581520 /nfs/dbraw/zinc/58/15/20/509581520.db2.gz UYCFNYULFVNXQG-CQSZACIVSA-N 0 3 363.414 2.649 20 5 FFBDHN C[C@@H]1CN(CCCCNC(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000267946612 509681933 /nfs/dbraw/zinc/68/19/33/509681933.db2.gz PEOPNXMIOWBIHZ-ZIAGYGMSSA-N 0 3 350.419 2.606 20 5 FFBDHN COc1ccc(NC(=O)CN(C[C@@H](C)O)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000170691376 509724066 /nfs/dbraw/zinc/72/40/66/509724066.db2.gz UJPZFAOQZTVLRV-CYBMUJFWSA-N 0 3 365.430 2.557 20 5 FFBDHN Cc1ccc(S(=O)(=O)NC2CCN(C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000176938255 509776799 /nfs/dbraw/zinc/77/67/99/509776799.db2.gz FXUGTTGMEZRWLN-UHFFFAOYSA-N 0 3 367.471 2.589 20 5 FFBDHN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[C@H](N(C)C)C3)cc2[N+](=O)[O-])C1 ZINC000170862900 509818433 /nfs/dbraw/zinc/81/84/33/509818433.db2.gz YKJFPKGKXKMEMA-INMHGKMJSA-N 0 3 374.485 2.853 20 5 FFBDHN CC(C)(O)CN(Cc1ccccc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000180222881 509819956 /nfs/dbraw/zinc/81/99/56/509819956.db2.gz VFVFQJFBWNZQPN-SFHVURJKSA-N 0 3 374.437 2.608 20 5 FFBDHN Nc1ccc([N+](=O)[O-])c(NC[C@@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000193529144 509951279 /nfs/dbraw/zinc/95/12/79/509951279.db2.gz JKXKBQSKOUNXET-QGZVFWFLSA-N 0 3 356.426 2.880 20 5 FFBDHN Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000180526928 509967885 /nfs/dbraw/zinc/96/78/85/509967885.db2.gz FLXXAYOXZYJXKD-UHFFFAOYSA-N 0 3 355.398 2.810 20 5 FFBDHN COCCCN1CCC(NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000171148791 509968410 /nfs/dbraw/zinc/96/84/10/509968410.db2.gz KPTICRVIRCUXPJ-UHFFFAOYSA-N 0 3 350.419 2.526 20 5 FFBDHN CCN1CC[C@H]2CC[C@@H](C1)N2Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000177310797 509991147 /nfs/dbraw/zinc/99/11/47/509991147.db2.gz LIEVTYMMPVSODD-ZBFHGGJFSA-N 0 3 357.414 2.703 20 5 FFBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCNC[C@H]1c1cccnc1 ZINC000261655577 510015049 /nfs/dbraw/zinc/01/50/49/510015049.db2.gz GQPAXMHWXSDMSF-SFHVURJKSA-N 0 3 356.426 2.924 20 5 FFBDHN CNS(=O)(=O)CCN[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000187176599 510103122 /nfs/dbraw/zinc/10/31/22/510103122.db2.gz JVVJFLURMBEALB-NSHDSACASA-N 0 3 369.468 2.523 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCCN2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 ZINC000171619001 510256319 /nfs/dbraw/zinc/25/63/19/510256319.db2.gz ZOJKIJLUEKZGNC-OAHLLOKOSA-N 0 3 371.441 2.781 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCS[C@@H]3CCCC[C@@H]32)c1 ZINC000246079808 510280021 /nfs/dbraw/zinc/28/00/21/510280021.db2.gz FCCWKYZBYJTYPT-HYVNUMGLSA-N 0 3 352.456 2.695 20 5 FFBDHN CC(C)[C@H](CN(C)Cc1ccccc1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000184361209 510285060 /nfs/dbraw/zinc/28/50/60/510285060.db2.gz WTIXWSOKBXSSFG-KRWDZBQOSA-N 0 3 371.441 2.657 20 5 FFBDHN COc1cc(C(=O)N[C@@H](CN(C)C)c2ccccc2)cc([N+](=O)[O-])c1OC ZINC000266028087 510367452 /nfs/dbraw/zinc/36/74/52/510367452.db2.gz VQIXWKMJGQLJIV-HNNXBMFYSA-N 0 3 373.409 2.645 20 5 FFBDHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000174996786 510427446 /nfs/dbraw/zinc/42/74/46/510427446.db2.gz FVOMDHJWBZCQQZ-HZPDHXFCSA-N 0 3 358.442 2.868 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H](c2ccccc2F)C2CCCC2)c1 ZINC000181500883 510441523 /nfs/dbraw/zinc/44/15/23/510441523.db2.gz SLALWZUOZXOZQK-QAPCUYQASA-N 0 3 362.405 2.812 20 5 FFBDHN Cc1ccnc(NCc2ccccc2CN2CCC(O)CC2)c1[N+](=O)[O-] ZINC000266221119 510468290 /nfs/dbraw/zinc/46/82/90/510468290.db2.gz HQKRGAXCPGLRQV-UHFFFAOYSA-N 0 3 356.426 2.867 20 5 FFBDHN CCc1n[nH]c(C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000172130814 510558809 /nfs/dbraw/zinc/55/88/09/510558809.db2.gz PSTUMHXZNZJKMP-ZDUSSCGKSA-N 0 3 371.441 2.836 20 5 FFBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000266547878 510651381 /nfs/dbraw/zinc/65/13/81/510651381.db2.gz SMBAYXNLDXFYRL-AWEZNQCLSA-N 0 3 371.441 2.531 20 5 FFBDHN CCn1nccc1N1CCC[C@H](NC/C=C/c2ccccc2[N+](=O)[O-])C1=O ZINC000191640880 510766382 /nfs/dbraw/zinc/76/63/82/510766382.db2.gz BVJDGHQORYLKNZ-WHWKNOJMSA-N 0 3 369.425 2.610 20 5 FFBDHN C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCN1C ZINC000182146717 510780886 /nfs/dbraw/zinc/78/08/86/510780886.db2.gz VMXLGUQQEITABK-WDEREUQCSA-N 0 3 357.357 2.751 20 5 FFBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H](N2CCCCC2)C1 ZINC000270433805 510807299 /nfs/dbraw/zinc/80/72/99/510807299.db2.gz PBBPERFIQQGDIB-INIZCTEOSA-N 0 3 356.426 2.705 20 5 FFBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000247440229 510860950 /nfs/dbraw/zinc/86/09/50/510860950.db2.gz WRKFBIYPXKWIRK-DLBZAZTESA-N 0 3 372.469 2.751 20 5 FFBDHN O=[N+]([O-])c1ccn(CCN[C@@H]2CCOc3c(Br)cccc32)n1 ZINC000282241169 510898698 /nfs/dbraw/zinc/89/86/98/510898698.db2.gz ZZXQEQFPIWWEIT-GFCCVEGCSA-N 0 3 367.203 2.667 20 5 FFBDHN Cc1ccccc1CN1CCC(NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000360900286 510963519 /nfs/dbraw/zinc/96/35/19/510963519.db2.gz HUCSXYXFSIMCHT-UHFFFAOYSA-N 0 3 354.410 2.693 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)c1 ZINC000270841047 511002732 /nfs/dbraw/zinc/00/27/32/511002732.db2.gz FDPKQXOFYAPHMT-UHFFFAOYSA-N 0 3 374.485 2.534 20 5 FFBDHN CSc1ccc([C@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])N(C)C)cc1 ZINC000294313394 511022748 /nfs/dbraw/zinc/02/27/48/511022748.db2.gz IKGAEEVJJKNQEL-INIZCTEOSA-N 0 3 374.466 2.932 20 5 FFBDHN CCN1CCN(c2ccc(NC(=O)CCC(C)(C)[N+](=O)[O-])c(C)c2)CC1 ZINC000294398758 511051209 /nfs/dbraw/zinc/05/12/09/511051209.db2.gz LXVDNJJTORILPP-UHFFFAOYSA-N 0 3 362.474 2.911 20 5 FFBDHN CC(C)N1CCN([C@@H]2CCN(c3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000364806133 511090761 /nfs/dbraw/zinc/09/07/61/511090761.db2.gz IPCZMCYQMSRFLM-OAHLLOKOSA-N 0 3 352.866 2.853 20 5 FFBDHN CC(C)N1CCN([C@H]2CCN(c3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000364806132 511090816 /nfs/dbraw/zinc/09/08/16/511090816.db2.gz IPCZMCYQMSRFLM-HNNXBMFYSA-N 0 3 352.866 2.853 20 5 FFBDHN CC(C)CN1CCC(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000294698387 511146278 /nfs/dbraw/zinc/14/62/78/511146278.db2.gz LBHFBPMUSASAKV-UHFFFAOYSA-N 0 3 361.442 2.794 20 5 FFBDHN Cn1cc(CNC[C@@H]2COC3(CCCC3)O2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000271397101 511190328 /nfs/dbraw/zinc/19/03/28/511190328.db2.gz HKNWRAKPJVRPBI-QGZVFWFLSA-N 0 3 372.425 2.771 20 5 FFBDHN O=C(CN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000295094780 511280037 /nfs/dbraw/zinc/28/00/37/511280037.db2.gz AJACJTKWMZWURP-IUIKQTSFSA-N 0 3 365.817 2.734 20 5 FFBDHN CC(C)(CCC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1)[N+](=O)[O-] ZINC000295305933 511357536 /nfs/dbraw/zinc/35/75/36/511357536.db2.gz ONLVNRJWGXOUBH-HXUWFJFHSA-N 0 3 359.470 2.947 20 5 FFBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(N2CCCCC2)CC1 ZINC000298815767 511419539 /nfs/dbraw/zinc/41/95/39/511419539.db2.gz MMUYUWSYOLUKQB-UHFFFAOYSA-N 0 3 367.471 2.542 20 5 FFBDHN CN(C(=O)CN[C@@H]1CCN(C)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000283966072 511558709 /nfs/dbraw/zinc/55/87/09/511558709.db2.gz IFTFVDWIANBLIS-UYAOXDASSA-N 0 3 368.437 2.593 20 5 FFBDHN CN1CC[C@]2(CCN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)C2)C1 ZINC000292437247 511596788 /nfs/dbraw/zinc/59/67/88/511596788.db2.gz WPVOPACLBMFAHN-SFHVURJKSA-N 0 3 372.450 2.886 20 5 FFBDHN CC[C@H](C)N1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000296232088 511665576 /nfs/dbraw/zinc/66/55/76/511665576.db2.gz WQTAXSRUGGNUCD-LBPRGKRZSA-N 0 3 354.838 2.603 20 5 FFBDHN C[C@H](NCc1ccccc1CN1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284295427 511672337 /nfs/dbraw/zinc/67/23/37/511672337.db2.gz YHCXFSSZAIBKEO-HNNXBMFYSA-N 0 3 370.453 2.860 20 5 FFBDHN C[C@H](c1ccc(N)c([N+](=O)[O-])c1)N1C[C@H]2C[C@@H](C1)Cn1c2cccc1=O ZINC000296399729 511727814 /nfs/dbraw/zinc/72/78/14/511727814.db2.gz KKQHSWASCULCNG-VNHYZAJKSA-N 0 3 354.410 2.519 20 5 FFBDHN CCOc1ccc([C@H](C)N[C@H](CO)C[C@H](O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000284454133 511728941 /nfs/dbraw/zinc/72/89/41/511728941.db2.gz SRTPNSVCLBPFSL-JDFRZJQESA-N 0 3 354.447 2.802 20 5 FFBDHN CC(C)c1n[nH]c(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000274326637 511795112 /nfs/dbraw/zinc/79/51/12/511795112.db2.gz YUTFYRKOGVUFPL-DZGCQCFKSA-N 0 3 371.441 2.692 20 5 FFBDHN Cc1c([C@@H](C)N[C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)cccc1[N+](=O)[O-] ZINC000284789362 511869546 /nfs/dbraw/zinc/86/95/46/511869546.db2.gz JLUSXEBVWUVCAD-ZXYWRSMDSA-N 0 3 371.441 2.649 20 5 FFBDHN CCOc1cc(NC[C@@H](C(C)C)N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000327299404 511873454 /nfs/dbraw/zinc/87/34/54/511873454.db2.gz KXSOLYMFEMMUBM-KRWDZBQOSA-N 0 3 350.463 2.677 20 5 FFBDHN O=[N+]([O-])c1ccccc1OCCN1CCC(c2nnc3n2CCCC3)CC1 ZINC000274864384 511969638 /nfs/dbraw/zinc/96/96/38/511969638.db2.gz CFFGFOXYQDUWAH-UHFFFAOYSA-N 0 3 371.441 2.781 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1N1CCCC1 ZINC000275140709 512053810 /nfs/dbraw/zinc/05/38/10/512053810.db2.gz PYEZSKKXAPKDTC-HUUCEWRRSA-N 0 3 369.874 2.900 20 5 FFBDHN Cn1cc(CN2CC[C@H](c3nccn3C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000377890443 512500537 /nfs/dbraw/zinc/50/05/37/512500537.db2.gz VHFLFAAHJNITDD-HNNXBMFYSA-N 0 3 366.425 2.718 20 5 FFBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1N1CCN(C)CC1 ZINC000374308237 512758301 /nfs/dbraw/zinc/75/83/01/512758301.db2.gz FPYAXOYVAINOPD-CJNGLKHVSA-N 0 3 352.866 2.710 20 5 FFBDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000378539156 512814096 /nfs/dbraw/zinc/81/40/96/512814096.db2.gz NZXWIFBBNGNODD-OAHLLOKOSA-N 0 3 354.410 2.524 20 5 FFBDHN O=[N+]([O-])c1cnc(N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)nc1 ZINC000368345339 512907935 /nfs/dbraw/zinc/90/79/35/512907935.db2.gz TTXQAASTQKCYQY-LJQANCHMSA-N 0 3 353.426 2.877 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@H]3CCCC[C@@]32c2ccccc2)c1 ZINC000370706821 513063111 /nfs/dbraw/zinc/06/31/11/513063111.db2.gz FVDFXYLXHBDWBE-BHIYHBOVSA-N 0 3 356.426 2.554 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H](c2ccccc2)[C@@H]2CCOC2)c1 ZINC000374983168 513097233 /nfs/dbraw/zinc/09/72/33/513097233.db2.gz CEVVSUGWECPMJR-YVWKXTFCSA-N 0 3 372.421 2.702 20 5 FFBDHN CN1CCC2(CCCN2C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000450540269 513242345 /nfs/dbraw/zinc/24/23/45/513242345.db2.gz NGZJWAOPBZVQLB-UHFFFAOYSA-N 0 3 369.425 2.685 20 5 FFBDHN C[C@H]1C[C@@H]1N1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](C)C1 ZINC000429012249 513251383 /nfs/dbraw/zinc/25/13/83/513251383.db2.gz SVAROROQNREWGK-KEYYUXOJSA-N 0 3 371.441 2.807 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000415509674 513301946 /nfs/dbraw/zinc/30/19/46/513301946.db2.gz XBRWVCVLMZLORF-LSDHHAIUSA-N 0 3 356.382 2.562 20 5 FFBDHN Cc1c(NC(=O)[C@@H](C)N[C@@H]2Cc3cccc(O)c3C2)cccc1[N+](=O)[O-] ZINC000429312979 513336726 /nfs/dbraw/zinc/33/67/26/513336726.db2.gz PJIGRJNKGOWWMB-TZMCWYRMSA-N 0 3 355.394 2.693 20 5 FFBDHN C[C@H]1CN(C2CCC2)CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000429370741 513355837 /nfs/dbraw/zinc/35/58/37/513355837.db2.gz FJSMAATWZVLBAN-HNAYVOBHSA-N 0 3 372.469 2.506 20 5 FFBDHN O=[N+]([O-])c1cc(F)c(NC[C@]2(O)CCN(Cc3ccccc3)C2)c(F)c1 ZINC000440594886 513360430 /nfs/dbraw/zinc/36/04/30/513360430.db2.gz CJICUMFDGQCPSS-GOSISDBHSA-N 0 3 363.364 2.922 20 5 FFBDHN CCOC(=O)CC1(NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCCC1 ZINC000434619917 513370739 /nfs/dbraw/zinc/37/07/39/513370739.db2.gz VFUWLNQHSZFORJ-UHFFFAOYSA-N 0 3 363.414 2.697 20 5 FFBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H]2CCN(CC(F)F)C2)c1 ZINC000418128422 513382142 /nfs/dbraw/zinc/38/21/42/513382142.db2.gz BLHMJGLYCQBRCS-JTQLQIEISA-N 0 3 351.300 2.625 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425056742 513394687 /nfs/dbraw/zinc/39/46/87/513394687.db2.gz KPVSTLHUPGUVNS-SLEUVZQESA-N 0 3 367.833 2.568 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(CCN(C)C)Cc1ccccn1 ZINC000421772133 513418665 /nfs/dbraw/zinc/41/86/65/513418665.db2.gz YROGCHLXPUXREG-UHFFFAOYSA-N 0 3 356.426 2.811 20 5 FFBDHN COc1cc(C(=O)N(C)C(C)(C)CN2CCCC2)c([N+](=O)[O-])cc1OC ZINC000416096629 513570476 /nfs/dbraw/zinc/57/04/76/513570476.db2.gz PRLPEGQSWWCCQP-UHFFFAOYSA-N 0 3 365.430 2.558 20 5 FFBDHN COc1ccc(NC(=O)NC[C@@H]2N(C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000448005173 513655816 /nfs/dbraw/zinc/65/58/16/513655816.db2.gz SXKRKRIOGVJNDU-HNNXBMFYSA-N 0 3 350.419 2.845 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H](c2ccc(F)c(Cl)c2)C2CC2)c1 ZINC000451354556 513697453 /nfs/dbraw/zinc/69/74/53/513697453.db2.gz NMBQOSZZYUSVNT-BBRMVZONSA-N 0 3 368.796 2.686 20 5 FFBDHN CC(C)[C@@H](CO)[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000451589458 513852435 /nfs/dbraw/zinc/85/24/35/513852435.db2.gz AODVHWNTLLJXMH-VBQJREDUSA-N 0 3 351.447 2.801 20 5 FFBDHN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CCCCN1C1CCCC1 ZINC000431625640 513949382 /nfs/dbraw/zinc/94/93/82/513949382.db2.gz ZKMWXWDUYBLNOB-SFHVURJKSA-N 0 3 360.458 2.920 20 5 FFBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448934253 513978349 /nfs/dbraw/zinc/97/83/49/513978349.db2.gz UPKHYVPYDRELBY-GJZGRUSLSA-N 0 3 371.441 2.773 20 5 FFBDHN COC(=O)[C@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1c1ccccc1 ZINC000452007836 514131197 /nfs/dbraw/zinc/13/11/97/514131197.db2.gz RMIQNYZRBPAJDX-SJORKVTESA-N 0 3 370.405 2.992 20 5 FFBDHN COc1cc(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000452121712 514204827 /nfs/dbraw/zinc/20/48/27/514204827.db2.gz KUQPZBSSNPROOY-LALPHHSUSA-N 0 3 365.405 2.545 20 5 FFBDHN COC[C@@]1(C(=O)OC)CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000449456802 514218520 /nfs/dbraw/zinc/21/85/20/514218520.db2.gz SRWVVRBSSYIZFE-LJQANCHMSA-N 0 3 374.393 2.866 20 5 FFBDHN CC(C)(C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[C@@H](N)c1ccccc1 ZINC000423823160 514245599 /nfs/dbraw/zinc/24/55/99/514245599.db2.gz HMYSLYKXBHAPQP-KRWDZBQOSA-N 0 3 371.441 2.681 20 5 FFBDHN CC(C)(C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[C@H](N)c1ccccc1 ZINC000423823164 514245921 /nfs/dbraw/zinc/24/59/21/514245921.db2.gz HMYSLYKXBHAPQP-QGZVFWFLSA-N 0 3 371.441 2.681 20 5 FFBDHN CC(C)(C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)[C@@H](N)c1ccccc1 ZINC000423825901 514248360 /nfs/dbraw/zinc/24/83/60/514248360.db2.gz LIGXHPWQAVGARX-KRWDZBQOSA-N 0 3 354.410 2.601 20 5 FFBDHN CC1(C)CCCN(CCNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000444637199 514279885 /nfs/dbraw/zinc/27/98/85/514279885.db2.gz PWJLNUFZXKNQNQ-UHFFFAOYSA-N 0 3 371.441 2.632 20 5 FFBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](N)c1ccccc1CC ZINC000423937186 514296442 /nfs/dbraw/zinc/29/64/42/514296442.db2.gz GAKUNNOMKJZXTJ-OAHLLOKOSA-N 0 3 357.410 2.986 20 5 FFBDHN CC(C)(C)[C@@H](CN)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000423965730 514311653 /nfs/dbraw/zinc/31/16/53/514311653.db2.gz YQOVTBMEZNAQRC-GOSISDBHSA-N 0 3 351.450 2.644 20 5 FFBDHN Cc1ccccc1[C@@H](CC(F)(F)F)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000444778688 514329944 /nfs/dbraw/zinc/32/99/44/514329944.db2.gz JPARGGURZUVGFN-DZGCQCFKSA-N 0 3 372.347 2.744 20 5 FFBDHN CCOc1ccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000424012151 514340215 /nfs/dbraw/zinc/34/02/15/514340215.db2.gz OOPXXVYAVMDXRV-JKSUJKDBSA-N 0 3 373.384 2.700 20 5 FFBDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000433364183 514471758 /nfs/dbraw/zinc/47/17/58/514471758.db2.gz NBJNUAXYAJWGRY-KSSFIOAISA-N 0 3 372.400 2.894 20 5 FFBDHN CN(C[C@H]1CCCN1C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000421112823 514489038 /nfs/dbraw/zinc/48/90/38/514489038.db2.gz RGPLJNIMFJXGPG-GFCCVEGCSA-N 0 3 371.235 2.915 20 5 FFBDHN Cc1cc(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)cc([N+](=O)[O-])c1 ZINC000428535100 514491384 /nfs/dbraw/zinc/49/13/84/514491384.db2.gz JGBDVPJEGFZKDD-GOSISDBHSA-N 0 3 355.394 2.722 20 5 FFBDHN COc1cnccc1N1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000475619609 514737327 /nfs/dbraw/zinc/73/73/27/514737327.db2.gz DHVUDNKVQCXYDZ-XQRVVYSFSA-N 0 3 354.410 2.834 20 5 FFBDHN COc1cc(CN2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000489231150 514761687 /nfs/dbraw/zinc/76/16/87/514761687.db2.gz IPQZPDOHUQGPPA-YQQAZPJKSA-N 0 3 363.458 2.677 20 5 FFBDHN CC[C@@H](NC(=O)NC[C@]1(N(C)C)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000489503323 514874938 /nfs/dbraw/zinc/87/49/38/514874938.db2.gz XZQZQZHMWYSSIE-NVXWUHKLSA-N 0 3 366.487 2.782 20 5 FFBDHN COc1ccc(CN[C@@H](C)CC(N)=O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000498375944 514889496 /nfs/dbraw/zinc/88/94/96/514889496.db2.gz RPEHHXQMFRCICM-ZDUSSCGKSA-N 0 3 373.409 2.536 20 5 FFBDHN CC(C)C[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCN(C)C ZINC000471522198 514916146 /nfs/dbraw/zinc/91/61/46/514916146.db2.gz MWDOBVRKOQXMCS-AWEZNQCLSA-N 0 3 356.854 2.753 20 5 FFBDHN C[C@@H]1CCN(C)CCN1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000498476599 514920622 /nfs/dbraw/zinc/92/06/22/514920622.db2.gz WKEMHZHODDTODW-GFCCVEGCSA-N 0 3 354.838 2.526 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000467810748 515131166 /nfs/dbraw/zinc/13/11/66/515131166.db2.gz GPHAXUGSZKJVRF-BXUZGUMPSA-N 0 3 367.833 2.616 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCN(C(C)C)C(C)C)c1C ZINC000480946369 515147883 /nfs/dbraw/zinc/14/78/83/515147883.db2.gz BBXCUXZMSFJBST-UHFFFAOYSA-N 0 3 357.476 2.609 20 5 FFBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](SC)[C@H](N(C)C)C1 ZINC000462768681 515231990 /nfs/dbraw/zinc/23/19/90/515231990.db2.gz QJMOFZDPLLLEKH-DJIMGWMZSA-N 0 3 365.499 2.668 20 5 FFBDHN CC(C)(C(=O)Nc1cc(CN)cc(C(F)(F)F)c1)n1cc([N+](=O)[O-])cn1 ZINC000485882304 515235067 /nfs/dbraw/zinc/23/50/67/515235067.db2.gz QANFTJBYQFPLHO-UHFFFAOYSA-N 0 3 371.319 2.643 20 5 FFBDHN CCC[C@H](N[C@H]1CCOC[C@H]1OCCOC)c1cccc([N+](=O)[O-])c1 ZINC000486060552 515318366 /nfs/dbraw/zinc/31/83/66/515318366.db2.gz HOTKGQMMUBHNAP-OKZBNKHCSA-N 0 3 352.431 2.846 20 5 FFBDHN Cc1c([C@H](C)NC[C@H](O)COc2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000481554755 515377963 /nfs/dbraw/zinc/37/79/63/515377963.db2.gz CBGZCFJZGCYGTN-KBPBESRZSA-N 0 3 374.393 2.722 20 5 FFBDHN CC[C@H]1CCCCN1CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000499698807 515416929 /nfs/dbraw/zinc/41/69/29/515416929.db2.gz YCSPJMHZKBJWQG-HNNXBMFYSA-N 0 3 371.441 2.775 20 5 FFBDHN COCCN(C)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1 ZINC000505053916 515438740 /nfs/dbraw/zinc/43/87/40/515438740.db2.gz JWLCKEVMPIBSJM-OAHLLOKOSA-N 0 3 361.398 2.627 20 5 FFBDHN COc1ccc(CNC(=O)CNC/C(C)=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000468643871 515450788 /nfs/dbraw/zinc/45/07/88/515450788.db2.gz VDKJEQFGJZLFRY-XNTDXEJSSA-N 0 3 369.421 2.913 20 5 FFBDHN Cc1c(Br)cc(C(=O)N[C@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000510443606 515543749 /nfs/dbraw/zinc/54/37/49/515543749.db2.gz OQVWYEKAOYPNME-SKDRFNHKSA-N 0 3 370.247 2.878 20 5 FFBDHN CCc1n[nH]c(C(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)c1[N+](=O)[O-] ZINC000510526481 515569811 /nfs/dbraw/zinc/56/98/11/515569811.db2.gz STLIDIBYAUQEKH-MLGOLLRUSA-N 0 3 359.430 2.610 20 5 FFBDHN CC(C)c1n[nH]c(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000473309634 515573351 /nfs/dbraw/zinc/57/33/51/515573351.db2.gz KPAPRJAERDDSDV-HNNXBMFYSA-N 0 3 371.441 2.693 20 5 FFBDHN CCN1CCC(NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000454622286 515617353 /nfs/dbraw/zinc/61/73/53/515617353.db2.gz QYMWLLWOLAJZPQ-MRXNPFEDSA-N 0 3 360.458 2.968 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)cc1SC ZINC000457127123 515671105 /nfs/dbraw/zinc/67/11/05/515671105.db2.gz REJLBPMKJKUWPQ-GFCCVEGCSA-N 0 3 367.471 2.880 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H](COc3ccccc3)C2)c1 ZINC000505861690 515700482 /nfs/dbraw/zinc/70/04/82/515700482.db2.gz FIXCDQCAKZAZGB-SJLPKXTDSA-N 0 3 372.421 2.735 20 5 FFBDHN CN(C)CC(C)(C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000457215189 515730691 /nfs/dbraw/zinc/73/06/91/515730691.db2.gz YIAFZJNVBMVQLL-UHFFFAOYSA-N 0 3 351.450 2.611 20 5 FFBDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)N(C)C ZINC000464419900 515817108 /nfs/dbraw/zinc/81/71/08/515817108.db2.gz NZFRIWRZNMCVKA-YOEHRIQHSA-N 0 3 373.457 2.642 20 5 FFBDHN Cc1c(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000478456902 515829933 /nfs/dbraw/zinc/82/99/33/515829933.db2.gz IZPZFAAFQDTHJS-GOSISDBHSA-N 0 3 368.437 2.977 20 5 FFBDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1c(N)cccc1[N+](=O)[O-])N(C)C ZINC000487438969 515861449 /nfs/dbraw/zinc/86/14/49/515861449.db2.gz JIODUNJWLINCEN-SCLBCKFNSA-N 0 3 356.426 2.907 20 5 FFBDHN C[C@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCCC[C@@H]1C ZINC000478555442 515868059 /nfs/dbraw/zinc/86/80/59/515868059.db2.gz GBNRWGPDGBDBFG-LSDHHAIUSA-N 0 3 371.441 2.773 20 5 FFBDHN Cn1c(C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)ccc1[N+](=O)[O-] ZINC000511699886 516005871 /nfs/dbraw/zinc/00/58/71/516005871.db2.gz AWDSQTUOKDOGSL-QGZVFWFLSA-N 0 3 370.453 2.964 20 5 FFBDHN CC1CCN(c2ccc(C(=O)N3CCC[C@@H]3CN(C)C)cc2[N+](=O)[O-])CC1 ZINC000464928408 516018916 /nfs/dbraw/zinc/01/89/16/516018916.db2.gz XRTQPBUISWIBKW-QGZVFWFLSA-N 0 3 374.485 2.997 20 5 FFBDHN COC1CCN(C(C)(C)CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000470128567 516132529 /nfs/dbraw/zinc/13/25/29/516132529.db2.gz NIXHNSOYNCKPBP-UHFFFAOYSA-N 0 3 368.409 2.745 20 5 FFBDHN O=C1COc2ccc(CNCCc3ccc(Cl)cc3[N+](=O)[O-])cc2N1 ZINC000512221544 516201250 /nfs/dbraw/zinc/20/12/50/516201250.db2.gz YWNOHBWYVNAFBL-UHFFFAOYSA-N 0 3 361.785 2.911 20 5 FFBDHN CC(C)[C@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000488509594 516245331 /nfs/dbraw/zinc/24/53/31/516245331.db2.gz ASZNVEBMPLQYEM-GOSISDBHSA-N 0 3 357.458 2.767 20 5 FFBDHN CCCN(CCN1CCCC1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000512487749 516294790 /nfs/dbraw/zinc/29/47/90/516294790.db2.gz ZDSXBQCTMGUYDB-UHFFFAOYSA-N 0 3 359.430 2.953 20 5 FFBDHN C[C@@H](NC[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000484135245 516302890 /nfs/dbraw/zinc/30/28/90/516302890.db2.gz QXUMMAZSEFIAAK-OXQOHEQNSA-N 0 3 355.438 2.882 20 5 FFBDHN COc1ccc(CC(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000547437928 516336470 /nfs/dbraw/zinc/33/64/70/516336470.db2.gz DQVLNGVJVMXQQO-VLIAUNLRSA-N 0 3 371.437 2.954 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)CC[C@@H]2CCCCN2C)c1 ZINC000543674665 516358852 /nfs/dbraw/zinc/35/88/52/516358852.db2.gz HQBZFOSZZUWLNW-HNNXBMFYSA-N 0 3 369.487 2.707 20 5 FFBDHN C[C@H](N[C@@H]1CCN(C)[C@H]1c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000550678861 516380621 /nfs/dbraw/zinc/38/06/21/516380621.db2.gz WPNORCQKDHCOHC-KYNGSXCRSA-N 0 3 368.437 2.957 20 5 FFBDHN CN1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@H]1Cc1ccccc1 ZINC000557742408 516414218 /nfs/dbraw/zinc/41/42/18/516414218.db2.gz RUWAUWDZLUCYIW-MRXNPFEDSA-N 0 3 363.421 2.901 20 5 FFBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@H](N1CCOCC1)C(F)(F)F ZINC000512972588 516430066 /nfs/dbraw/zinc/43/00/66/516430066.db2.gz UYXRNUPBQJCTHF-OVHOFWQVSA-N 0 3 373.375 2.851 20 5 FFBDHN CCN(CCN1CCCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000557850690 516470828 /nfs/dbraw/zinc/47/08/28/516470828.db2.gz YSSFJWBERGOEKV-UHFFFAOYSA-N 0 3 369.487 2.790 20 5 FFBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)C1 ZINC000561347288 516534761 /nfs/dbraw/zinc/53/47/61/516534761.db2.gz IDPLMKXOSNMIJX-OGHNNQOOSA-N 0 3 365.861 2.979 20 5 FFBDHN C[C@H](NCCOc1ccc(S(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000531720453 516611146 /nfs/dbraw/zinc/61/11/46/516611146.db2.gz OHNCZQNZLAPRLM-ZDUSSCGKSA-N 0 3 364.423 2.728 20 5 FFBDHN CN(c1ccccc1)c1ccc(CNCCc2ncn(C)n2)cc1[N+](=O)[O-] ZINC000540620021 516644137 /nfs/dbraw/zinc/64/41/37/516644137.db2.gz XZFFVPDHNXQQQF-UHFFFAOYSA-N 0 3 366.425 2.824 20 5 FFBDHN COc1ccc(CC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000536262817 516700422 /nfs/dbraw/zinc/70/04/22/516700422.db2.gz JGHNCNIQONLFBD-JXFKEZNVSA-N 0 3 369.421 2.708 20 5 FFBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000558596182 516826579 /nfs/dbraw/zinc/82/65/79/516826579.db2.gz JEGNBSLDVVCTBW-DLBZAZTESA-N 0 3 368.437 2.527 20 5 FFBDHN CN(C)C[C@H]1CCCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541029667 516838317 /nfs/dbraw/zinc/83/83/17/516838317.db2.gz KMQUWRKAHPPDDA-GFCCVEGCSA-N 0 3 357.357 2.753 20 5 FFBDHN CN(C)C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000552027722 517036908 /nfs/dbraw/zinc/03/69/08/517036908.db2.gz XXDPTWBNSNGMQW-CYBMUJFWSA-N 0 3 362.817 2.718 20 5 FFBDHN CC(C)OC1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000532633082 517073243 /nfs/dbraw/zinc/07/32/43/517073243.db2.gz SZRDIBQLYCBKPN-UHFFFAOYSA-N 0 3 363.414 2.782 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)n1 ZINC000541935057 517299843 /nfs/dbraw/zinc/29/98/43/517299843.db2.gz BPAXRBXKUCJQLU-IAGOWNOFSA-N 0 3 356.426 2.654 20 5 FFBDHN COc1ccc(NC(=O)NC[C@H](C)N2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000542030229 517346599 /nfs/dbraw/zinc/34/65/99/517346599.db2.gz RGKFLFWBTVVKQR-OLZOCXBDSA-N 0 3 350.419 2.988 20 5 FFBDHN Cc1ccc(NCCCN[C@@H](Cc2ccc(F)cc2)C(N)=O)c([N+](=O)[O-])c1 ZINC000542236265 517454064 /nfs/dbraw/zinc/45/40/64/517454064.db2.gz VDBUBNQHFUGVBZ-KRWDZBQOSA-N 0 3 374.416 2.531 20 5 FFBDHN CCCCOC1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000542280479 517483067 /nfs/dbraw/zinc/48/30/67/517483067.db2.gz OGMBSYXEHFHOJV-OAHLLOKOSA-N 0 3 352.431 2.616 20 5 FFBDHN Cc1ccc([C@H](C)NC[C@H](O)COc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000538277664 517537541 /nfs/dbraw/zinc/53/75/41/517537541.db2.gz WSRRWRFYNKVHRX-ZFWWWQNUSA-N 0 3 374.393 2.722 20 5 FFBDHN CCc1ccccc1[C@@H](N)CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000562965424 517539416 /nfs/dbraw/zinc/53/94/16/517539416.db2.gz VNXYIQYPORZVCL-INIZCTEOSA-N 0 3 357.410 2.525 20 5 FFBDHN COC(=O)[C@H]1CCCC[C@@]1(C)NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000538375517 517594089 /nfs/dbraw/zinc/59/40/89/517594089.db2.gz KJWSNAIMNWWPFT-RDTXWAMCSA-N 0 3 363.414 2.553 20 5 FFBDHN CCN1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)[C@H]2C1 ZINC000549579007 517625554 /nfs/dbraw/zinc/62/55/54/517625554.db2.gz XBEBFFYNSNFRPE-LSDHHAIUSA-N 0 3 359.348 2.913 20 5 FFBDHN CCCN1CCC[C@H]1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000553353289 517663852 /nfs/dbraw/zinc/66/38/52/517663852.db2.gz SWXLOHVBLZUBAU-LBPRGKRZSA-N 0 3 357.357 2.800 20 5 FFBDHN C[C@@H]1Cc2ccccc2[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000542666926 517678237 /nfs/dbraw/zinc/67/82/37/517678237.db2.gz ZTWXIDITPWIGPG-FZKQIMNGSA-N 0 3 360.435 2.892 20 5 FFBDHN CC1CCN(CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000546577306 517736913 /nfs/dbraw/zinc/73/69/13/517736913.db2.gz CGUTVSZTJOFXGN-UHFFFAOYSA-N 0 3 351.422 2.860 20 5 FFBDHN CN(CCC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000542786753 517741311 /nfs/dbraw/zinc/74/13/11/517741311.db2.gz SFRSNBURUPGCKR-UHFFFAOYSA-N 0 3 356.426 2.955 20 5 FFBDHN C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1=CCN(C)CC1 ZINC000542826124 517768328 /nfs/dbraw/zinc/76/83/28/517768328.db2.gz JFIBVLBNKYBZRJ-HNNXBMFYSA-N 0 3 372.469 2.578 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N2CCCN(C(C)(C)C)CC2)c1F ZINC000560734420 517994195 /nfs/dbraw/zinc/99/41/95/517994195.db2.gz XAQFOSGSXFKEQR-UHFFFAOYSA-N 0 3 367.421 2.618 20 5 FFBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1cnn2ccccc12 ZINC000517047330 517996874 /nfs/dbraw/zinc/99/68/74/517996874.db2.gz WSQBSVGKERAFEP-ZDUSSCGKSA-N 0 3 353.382 2.749 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCCOc2ccccc2Cl)c1 ZINC000517359925 518128079 /nfs/dbraw/zinc/12/80/79/518128079.db2.gz WTYNKPZWXURDIT-CQSZACIVSA-N 0 3 366.801 2.657 20 5 FFBDHN O=[N+]([O-])c1cccc(CN[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000575368859 518205832 /nfs/dbraw/zinc/20/58/32/518205832.db2.gz WKFYGRWPJYVDAR-UYAOXDASSA-N 0 3 355.438 2.567 20 5 FFBDHN CCN1CCN(Cc2ccc(CNc3ccc([N+](=O)[O-])nc3)cc2)CC1 ZINC000569851274 518324677 /nfs/dbraw/zinc/32/46/77/518324677.db2.gz SEMQGGXVDSYKFV-UHFFFAOYSA-N 0 3 355.442 2.739 20 5 FFBDHN COc1cccc(C(=O)NCCN[C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000581893813 518491064 /nfs/dbraw/zinc/49/10/64/518491064.db2.gz BAUFQFJQIXUNJB-KRWDZBQOSA-N 0 3 355.394 2.610 20 5 FFBDHN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCCCN1C1CCCC1 ZINC000586802542 518646821 /nfs/dbraw/zinc/64/68/21/518646821.db2.gz NUOKEEYHQDECJS-MRXNPFEDSA-N 0 3 357.414 2.629 20 5 FFBDHN CCN(CCN1CCCCCC1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000588188689 518745023 /nfs/dbraw/zinc/74/50/23/518745023.db2.gz HEUMFDLJANWRJT-UHFFFAOYSA-N 0 3 363.414 2.662 20 5 FFBDHN CC[C@H](C)N[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000588766088 518824431 /nfs/dbraw/zinc/82/44/31/518824431.db2.gz FHGQHOUTKHLRPW-UONOGXRCSA-N 0 3 361.398 2.812 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000568010483 518829758 /nfs/dbraw/zinc/82/97/58/518829758.db2.gz IBDHIOYRNLBWRX-IBGZPJMESA-N 0 3 354.410 2.693 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCc2ccc(Cl)cc2)cc1 ZINC000582748569 518902214 /nfs/dbraw/zinc/90/22/14/518902214.db2.gz JRVMADDWDFVDTI-UHFFFAOYSA-N 0 3 368.842 2.854 20 5 FFBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000589104301 518916193 /nfs/dbraw/zinc/91/61/93/518916193.db2.gz INJRUPAMVIELKZ-CYBMUJFWSA-N 0 3 371.393 2.574 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000582840732 518948001 /nfs/dbraw/zinc/94/80/01/518948001.db2.gz IXXBSVNZDHXMMF-UXPWSPDFSA-N 0 3 372.421 2.844 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)CN2C[C@H](C)C[C@H](C)C2)n1 ZINC000582853303 518954238 /nfs/dbraw/zinc/95/42/38/518954238.db2.gz XPYWFNXZHXMRGP-FRRDWIJNSA-N 0 3 350.419 2.555 20 5 FFBDHN CSc1ccc(C(=O)NCC2(SC)CCN(C)CC2)cc1[N+](=O)[O-] ZINC000589477839 519013621 /nfs/dbraw/zinc/01/36/21/519013621.db2.gz QBEMKWYVDJKNHR-UHFFFAOYSA-N 0 3 369.512 2.874 20 5 FFBDHN COc1ccc(OCCN2CCc3ccccc3[C@@H]2CN)c([N+](=O)[O-])c1 ZINC000568395006 519019101 /nfs/dbraw/zinc/01/91/01/519019101.db2.gz KEZQGJKXTVRLEK-SFHVURJKSA-N 0 3 357.410 2.540 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2CCCCC2(F)F)cc1 ZINC000571433276 519094348 /nfs/dbraw/zinc/09/43/48/519094348.db2.gz VXBQCTUABFWGOD-LBPRGKRZSA-N 0 3 362.398 2.784 20 5 FFBDHN COc1ccc([C@H](CN(C)C)NC(=O)Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000568769071 519206346 /nfs/dbraw/zinc/20/63/46/519206346.db2.gz PNUJEELVKPJHSA-SFHVURJKSA-N 0 3 371.437 2.873 20 5 FFBDHN COC1CCN(C(C)(C)CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000580546283 519231728 /nfs/dbraw/zinc/23/17/28/519231728.db2.gz ZMXGJFTWCMEOMS-CQSZACIVSA-N 0 3 363.458 2.704 20 5 FFBDHN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CN1C1CC1 ZINC000583666820 519366363 /nfs/dbraw/zinc/36/63/63/519366363.db2.gz SQXBXSHQHPQYIB-ZFWWWQNUSA-N 0 3 358.442 2.868 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1ccccc1OC(F)F ZINC000578044803 519388626 /nfs/dbraw/zinc/38/86/26/519388626.db2.gz TXRVGQDIHFYXII-CYBMUJFWSA-N 0 3 368.336 2.726 20 5 FFBDHN C[C@@H]1CN(CCC2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)C[C@H](C)O1 ZINC000591149373 519530464 /nfs/dbraw/zinc/53/04/64/519530464.db2.gz UWMFMMRCFVBGTJ-OKILXGFUSA-N 0 3 366.437 2.845 20 5 FFBDHN Cc1ccccc1O[C@@H](C)CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000572393397 519592531 /nfs/dbraw/zinc/59/25/31/519592531.db2.gz IHGIGFIKDDGNHM-HOTGVXAUSA-N 0 3 360.410 2.700 20 5 FFBDHN CC(C)N(Cc1cn(C)nc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000602853300 519926152 /nfs/dbraw/zinc/92/61/52/519926152.db2.gz WXUSTARGOVRNRN-GOSISDBHSA-N 0 3 357.458 2.813 20 5 FFBDHN CCOc1cc(CN[C@H]([C@H]2CCCO2)C2(CO)CCC2)ccc1[N+](=O)[O-] ZINC000602891746 519952789 /nfs/dbraw/zinc/95/27/89/519952789.db2.gz OLPBUSFINJZTGX-SJLPKXTDSA-N 0 3 364.442 2.793 20 5 FFBDHN CCN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000599986191 519984944 /nfs/dbraw/zinc/98/49/44/519984944.db2.gz QDBWSVAPIJXXDC-UHFFFAOYSA-N 0 3 369.849 2.960 20 5 FFBDHN CCN1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CC2)CC1 ZINC000597407168 520006900 /nfs/dbraw/zinc/00/69/00/520006900.db2.gz DUAUXFNYRKLFAD-UHFFFAOYSA-N 0 3 370.457 2.795 20 5 FFBDHN CC(C)n1ncc2c1C[C@H](NCc1cc3c(cc1[N+](=O)[O-])OCCO3)CC2 ZINC000616484881 520035612 /nfs/dbraw/zinc/03/56/12/520035612.db2.gz WSNNQLRXUYMDOW-OAHLLOKOSA-N 0 3 372.425 2.791 20 5 FFBDHN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCNC2(CCCCC2)C1 ZINC000594628781 520061215 /nfs/dbraw/zinc/06/12/15/520061215.db2.gz KUWOUXRKPPJZPR-UHFFFAOYSA-N 0 3 358.442 2.917 20 5 FFBDHN Cc1ccc(CC2CN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000594733622 520121582 /nfs/dbraw/zinc/12/15/82/520121582.db2.gz ZYDPQJGPLUBJGF-SFHVURJKSA-N 0 3 356.422 2.817 20 5 FFBDHN C[C@]1(CO)CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@]1(C)CO ZINC000600203503 520122535 /nfs/dbraw/zinc/12/25/35/520122535.db2.gz KETPGJWVZCCTEZ-KDURUIRLSA-N 0 3 360.410 2.668 20 5 FFBDHN C[C@H]1CCCN(C(C)(C)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000608854602 520145238 /nfs/dbraw/zinc/14/52/38/520145238.db2.gz PDLDIRASNZLGGU-NSHDSACASA-N 0 3 352.410 2.556 20 5 FFBDHN O=C(CCN1CCc2ccc(O)cc2CC1)Nc1ccccc1[N+](=O)[O-] ZINC000608866692 520149160 /nfs/dbraw/zinc/14/91/60/520149160.db2.gz RNLBEOZGYGBINK-UHFFFAOYSA-N 0 3 355.394 2.730 20 5 FFBDHN CN(CCCN(C)c1nc2sccn2c1[N+](=O)[O-])Cc1ccncc1 ZINC000603402421 520249651 /nfs/dbraw/zinc/24/96/51/520249651.db2.gz ROCMZSVRWVKHMN-UHFFFAOYSA-N 0 3 360.443 2.657 20 5 FFBDHN Cn1ccnc1[C@H](N[C@@H]1CCN(C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595056501 520272367 /nfs/dbraw/zinc/27/23/67/520272367.db2.gz KAFKUOFDGUBJCL-NVXWUHKLSA-N 0 3 357.458 2.880 20 5 FFBDHN O=C(NC[C@H]1CCN1C1CCCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000600472723 520278889 /nfs/dbraw/zinc/27/88/89/520278889.db2.gz OWTCZYKQBKZPCM-QGZVFWFLSA-N 0 3 369.425 2.527 20 5 FFBDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000597859793 520286901 /nfs/dbraw/zinc/28/69/01/520286901.db2.gz YEHGDCGCULPVAX-NSHDSACASA-N 0 3 370.247 2.960 20 5 FFBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000595095192 520291370 /nfs/dbraw/zinc/29/13/70/520291370.db2.gz GLYWICATEKLMCD-QXAKKESOSA-N 0 3 357.454 2.815 20 5 FFBDHN COc1cc(C[NH2+]CCc2cn3c(cccc3C)n2)c([N+](=O)[O-])cc1[O-] ZINC000592380719 520359350 /nfs/dbraw/zinc/35/93/50/520359350.db2.gz YSJDJLHCMIFKEQ-UHFFFAOYSA-N 0 3 356.382 2.597 20 5 FFBDHN Cc1c(CC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)cccc1[N+](=O)[O-] ZINC000595257401 520376325 /nfs/dbraw/zinc/37/63/25/520376325.db2.gz KCFGVLQDPSQUME-SFHVURJKSA-N 0 3 355.394 2.745 20 5 FFBDHN CC[C@@H](CN1CCCC1)Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000609840025 520452656 /nfs/dbraw/zinc/45/26/56/520452656.db2.gz ZIWKQOMZWLVSGB-HNNXBMFYSA-N 0 3 371.441 2.846 20 5 FFBDHN CC1(C)C[C@@H](N2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)CO1 ZINC000595433117 520468388 /nfs/dbraw/zinc/46/83/88/520468388.db2.gz NWSAUMRAVPVKEE-CQSZACIVSA-N 0 3 359.430 2.551 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](CO)[C@@H](C)c1ccccc1 ZINC000613389782 520479538 /nfs/dbraw/zinc/47/95/38/520479538.db2.gz QROVPFFKIJODOP-KBXCAEBGSA-N 0 3 357.410 2.596 20 5 FFBDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000598195618 520486333 /nfs/dbraw/zinc/48/63/33/520486333.db2.gz PRQWSXNOSRQUGZ-HXUWFJFHSA-N 0 3 367.449 2.913 20 5 FFBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(CCN1CCCC1)c1ccccc1 ZINC000610051616 520516849 /nfs/dbraw/zinc/51/68/49/520516849.db2.gz ZGWYUXKFNSHPEK-UHFFFAOYSA-N 0 3 371.441 2.619 20 5 FFBDHN CC(C)(C)OC(=O)CC1(NCc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000595546097 520543311 /nfs/dbraw/zinc/54/33/11/520543311.db2.gz HVASYWHEZTWNFY-UHFFFAOYSA-N 0 3 350.415 2.965 20 5 FFBDHN Cc1n[nH]c(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000610200270 520576640 /nfs/dbraw/zinc/57/66/40/520576640.db2.gz WOBIBWXIASNXCM-XHDPSFHLSA-N 0 3 363.443 2.501 20 5 FFBDHN CC1(C)C[C@@H](N(CCn2cc([N+](=O)[O-])ccc2=O)Cc2ccccc2)CO1 ZINC000595639372 520614365 /nfs/dbraw/zinc/61/43/65/520614365.db2.gz WVMHJUFSGUUXHT-GOSISDBHSA-N 0 3 371.437 2.826 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000610296593 520626944 /nfs/dbraw/zinc/62/69/44/520626944.db2.gz HCJNPXLNNBGDAP-KRWDZBQOSA-N 0 3 369.421 2.950 20 5 FFBDHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCCN(C2CCCC2)CC1 ZINC000601122228 520646823 /nfs/dbraw/zinc/64/68/23/520646823.db2.gz VPXAZYBFNHJTIN-UHFFFAOYSA-N 0 3 361.368 2.802 20 5 FFBDHN C[C@@H](NC[C@]1(O)CCN(Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000610422075 520676137 /nfs/dbraw/zinc/67/61/37/520676137.db2.gz UQBGJHKCKVKUQR-OXQOHEQNSA-N 0 3 355.438 2.882 20 5 FFBDHN CC(C)[C@@H]1CN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CCN1 ZINC000598571219 520716048 /nfs/dbraw/zinc/71/60/48/520716048.db2.gz BXXOCQNZHVUGOI-KRWDZBQOSA-N 0 3 374.485 2.901 20 5 FFBDHN COC(=O)c1ccnc(N[C@H](C)CN2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000598589920 520729933 /nfs/dbraw/zinc/72/99/33/520729933.db2.gz VQQZAWLRSGNCNR-FRRDWIJNSA-N 0 3 350.419 2.555 20 5 FFBDHN CCCN1CC[C@H](NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000595801034 520735525 /nfs/dbraw/zinc/73/55/25/520735525.db2.gz VPZARTFIKBNQEY-SJORKVTESA-N 0 3 360.458 2.968 20 5 FFBDHN CC[C@H](C)N[C@@H](CNc1nccc(C(=O)OC)c1[N+](=O)[O-])c1ccco1 ZINC000598625408 520749625 /nfs/dbraw/zinc/74/96/25/520749625.db2.gz PNEFDRJWJQGTBB-AAEUAGOBSA-N 0 3 362.386 2.911 20 5 FFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C[C@H]1C ZINC000601355134 520751815 /nfs/dbraw/zinc/75/18/15/520751815.db2.gz KNLQFJJKOPTKFR-OLZOCXBDSA-N 0 3 373.450 2.536 20 5 FFBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC(c2ccon2)CC1 ZINC000595829662 520754251 /nfs/dbraw/zinc/75/42/51/520754251.db2.gz YHRKJXSDLBZXNA-UHFFFAOYSA-N 0 3 372.381 2.760 20 5 FFBDHN COC(=O)c1cc(CNCCOc2ccc([N+](=O)[O-])cc2)n2c1CCCC2 ZINC000598634871 520754936 /nfs/dbraw/zinc/75/49/36/520754936.db2.gz URMYYZGDOMTHRW-UHFFFAOYSA-N 0 3 373.409 2.688 20 5 FFBDHN Cc1cc(C(=O)N2CC[C@@H](OCCN3CCCCC3)C2)cc([N+](=O)[O-])c1 ZINC000610886906 520893819 /nfs/dbraw/zinc/89/38/19/520893819.db2.gz CPKBSPISPDQQSD-GOSISDBHSA-N 0 3 361.442 2.620 20 5 FFBDHN CN(C)CCOc1ccccc1CNc1c(Cl)cncc1[N+](=O)[O-] ZINC000596118150 520923830 /nfs/dbraw/zinc/92/38/30/520923830.db2.gz QJKQPKGKEIECJK-UHFFFAOYSA-N 0 3 350.806 2.618 20 5 FFBDHN COC(=O)c1c(Cl)c(N(C)C[C@@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000596129086 520929413 /nfs/dbraw/zinc/92/94/13/520929413.db2.gz MGLYRKODWIUGPM-LLVKDONJSA-N 0 3 355.822 2.813 20 5 FFBDHN O=[N+]([O-])c1cncc(Cl)c1N1CC[C@H](OCCN2CCCCC2)C1 ZINC000596168335 520948759 /nfs/dbraw/zinc/94/87/59/520948759.db2.gz QDUOJYYCEKOQGE-ZDUSSCGKSA-N 0 3 354.838 2.724 20 5 FFBDHN CN(c1ccccc1)c1ccc(CNC[C@@H](O)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000598986436 520960240 /nfs/dbraw/zinc/96/02/40/520960240.db2.gz ABWCXUJRIJWUFC-UXHICEINSA-N 0 3 371.437 2.992 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1CNCC1(OCCO)CCC(F)(F)CC1 ZINC000598993900 520966473 /nfs/dbraw/zinc/96/64/73/520966473.db2.gz UBIGXHSONWBLAI-UHFFFAOYSA-N 0 3 358.385 2.950 20 5 FFBDHN CCOC(=O)c1ccnc(N2CCN(C)C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000596251161 520994086 /nfs/dbraw/zinc/99/40/86/520994086.db2.gz OYCDGWJKYBQUJM-UHFFFAOYSA-N 0 3 362.430 2.621 20 5 FFBDHN C[C@H](NC[C@H]1CN(Cc2ccncc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000599087244 521023819 /nfs/dbraw/zinc/02/38/19/521023819.db2.gz GUXDHXJVCMTBBU-KXBFYZLASA-N 0 3 356.426 2.541 20 5 FFBDHN COCc1cc([N+](=O)[O-])ccc1NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000596422544 521062129 /nfs/dbraw/zinc/06/21/29/521062129.db2.gz DPYQWBODCMWVFG-LJQANCHMSA-N 0 3 371.437 2.920 20 5 FFBDHN CCN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCN(CC)C1 ZINC000596543134 521123347 /nfs/dbraw/zinc/12/33/47/521123347.db2.gz KOSAVRMSLLWQNT-HNNXBMFYSA-N 0 3 368.865 2.916 20 5 FFBDHN CCN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000596546788 521125476 /nfs/dbraw/zinc/12/54/76/521125476.db2.gz UYNCYPLZYIGYQU-CQSZACIVSA-N 0 3 354.838 2.526 20 5 FFBDHN COc1cc(CNCC[C@H]2CCCO2)c([N+](=O)[O-])cc1OCC(F)F ZINC000611519540 521197643 /nfs/dbraw/zinc/19/76/43/521197643.db2.gz XVNLVTATVRVIKK-GFCCVEGCSA-N 0 3 360.357 2.906 20 5 FFBDHN Cc1c(NC(=O)CCN2CCC[C@H](OC(F)F)C2)cccc1[N+](=O)[O-] ZINC000611580114 521234726 /nfs/dbraw/zinc/23/47/26/521234726.db2.gz QXSOCSATOBFDDT-LBPRGKRZSA-N 0 3 357.357 2.935 20 5 FFBDHN CCOc1cc(C(=O)N(C)CCN2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000593884866 521272344 /nfs/dbraw/zinc/27/23/44/521272344.db2.gz XQKLMSLLPRLDGD-UHFFFAOYSA-N 0 3 365.430 2.560 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H](c1ccccn1)C1CCC1 ZINC000599574325 521306358 /nfs/dbraw/zinc/30/63/58/521306358.db2.gz SEYIETVNKZQIQI-HNAYVOBHSA-N 0 3 357.410 2.861 20 5 FFBDHN CC1(N2CCOCC2)CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000599622272 521338020 /nfs/dbraw/zinc/33/80/20/521338020.db2.gz JXQKVBVFWYYDMG-UHFFFAOYSA-N 0 3 353.850 2.935 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599664460 521377365 /nfs/dbraw/zinc/37/73/65/521377365.db2.gz NVPYQZDHSCTMJX-CABZTGNLSA-N 0 3 368.231 2.570 20 5 FFBDHN O=[N+]([O-])c1ccc(CCNCc2ccnc(OC3CCOCC3)c2)cc1 ZINC000602544199 521404813 /nfs/dbraw/zinc/40/48/13/521404813.db2.gz FPZUVFRTAPYINA-UHFFFAOYSA-N 0 3 357.410 2.880 20 5 FFBDHN CC(C)N1CCC[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599768818 521457731 /nfs/dbraw/zinc/45/77/31/521457731.db2.gz NJBXFDXGBRQCGJ-NSHDSACASA-N 0 3 370.247 2.960 20 5 FFBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594204007 521470062 /nfs/dbraw/zinc/47/00/62/521470062.db2.gz WJHNFRMIFVCGLA-SJLPKXTDSA-N 0 3 356.426 2.683 20 5 FFBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@H]1CCCN1CCCO ZINC000602672045 521471573 /nfs/dbraw/zinc/47/15/73/521471573.db2.gz CPRYILCDMXJZOS-CQSZACIVSA-N 0 3 361.364 2.550 20 5 FFBDHN CC(C)(CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@]1(O)CCOC1 ZINC000602695104 521484265 /nfs/dbraw/zinc/48/42/65/521484265.db2.gz DOUKYOMIAFDIHT-OAHLLOKOSA-N 0 3 362.348 2.881 20 5 FFBDHN C[C@@](CO)(NC[C@H]1CCN(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000602732079 521501814 /nfs/dbraw/zinc/50/18/14/521501814.db2.gz NJFJXHFQMQBGHY-UZLBHIALSA-N 0 3 355.438 2.918 20 5 FFBDHN CCNc1ccc(C(=O)N=c2ccn(C3CCN(C)CC3)[nH]2)cc1[N+](=O)[O-] ZINC000490001789 561424320 /nfs/dbraw/zinc/42/43/20/561424320.db2.gz KJFGAJNZWQUODW-UHFFFAOYSA-N 0 3 372.429 2.742 20 5 FFBDHN CN(C[C@H]1CCCN1C)C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000092627250 728469787 /nfs/dbraw/zinc/46/97/87/728469787.db2.gz ICJCTHBHEIUJJC-LLVKDONJSA-N 0 3 356.220 2.524 20 5 FFBDHN C[C@H]1CN(CCCCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H](C)O1 ZINC000119107568 728588049 /nfs/dbraw/zinc/58/80/49/728588049.db2.gz PTEGVJQRUDWOHB-STQMWFEESA-N 0 3 369.849 2.867 20 5 FFBDHN Cc1nccn1CCCN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000130609327 728720147 /nfs/dbraw/zinc/72/01/47/728720147.db2.gz WKDNGJCAMIDLKW-UHFFFAOYSA-N 0 3 365.821 2.714 20 5 FFBDHN CS[C@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000779351977 738457652 /nfs/dbraw/zinc/45/76/52/738457652.db2.gz XFJAALOPDCZVBJ-STQMWFEESA-N 0 3 358.851 2.758 20 5 FFBDHN C[C@H](CN(C)CCOc1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000860098176 730476205 /nfs/dbraw/zinc/47/62/05/730476205.db2.gz MCJRLEVQCQEEFE-CYBMUJFWSA-N 0 3 353.419 2.819 20 5 FFBDHN COCCCN(C(=O)c1cccc([N+](=O)[O-])c1Cl)C1CCN(C)CC1 ZINC000861776391 730640832 /nfs/dbraw/zinc/64/08/32/730640832.db2.gz IRULYSDCRWBGRX-UHFFFAOYSA-N 0 3 369.849 2.821 20 5 FFBDHN C[C@H]1CN(CCCCNc2cc(F)c([N+](=O)[O-])cc2CO)C[C@H](C)O1 ZINC000865601282 730975232 /nfs/dbraw/zinc/97/52/32/730975232.db2.gz NRXGCJHSQYTYEF-STQMWFEESA-N 0 3 355.410 2.528 20 5 FFBDHN COc1ccc(-c2nc(C)sc2CC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000870376320 731506490 /nfs/dbraw/zinc/50/64/90/731506490.db2.gz GMRYUSMENIDNHR-JTQLQIEISA-N 0 3 350.396 2.878 20 5 FFBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000874837251 732105762 /nfs/dbraw/zinc/10/57/62/732105762.db2.gz KDHRYTIVDCPRMV-CHWSQXEVSA-N 0 3 357.332 2.922 20 5 FFBDHN O=C1NCCC12CCN(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC2 ZINC000877782219 732429767 /nfs/dbraw/zinc/42/97/67/732429767.db2.gz NSQYHZXEBWAKKP-UHFFFAOYSA-N 0 3 357.332 2.716 20 5 FFBDHN C[C@](CO)(NC[C@@H](O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000879270715 732676429 /nfs/dbraw/zinc/67/64/29/732676429.db2.gz AGKKDPZQTSSDGE-IAGOWNOFSA-N 0 3 350.802 2.779 20 5 FFBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCC[C@@H]1C ZINC000783920733 738849320 /nfs/dbraw/zinc/84/93/20/738849320.db2.gz OFRDRCCWNXIIQA-ZDUSSCGKSA-N 0 3 367.471 2.547 20 5 FFBDHN COc1cc(CNCC2(C3(O)CCC3)CCC2)c([N+](=O)[O-])cc1OC ZINC000895869959 735067821 /nfs/dbraw/zinc/06/78/21/735067821.db2.gz KTWCNGZHHLRNLF-UHFFFAOYSA-N 0 3 350.415 2.787 20 5 FFBDHN CCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000741949813 735171652 /nfs/dbraw/zinc/17/16/52/735171652.db2.gz BDRJCAPYINVNNA-UHFFFAOYSA-N 0 3 352.391 2.534 20 5 FFBDHN CC(C)OCCN1CCC(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000747621546 735575123 /nfs/dbraw/zinc/57/51/23/735575123.db2.gz WHEOUQSKENIXMP-UHFFFAOYSA-N 0 3 352.391 2.804 20 5 FFBDHN COC(=O)C[C@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000754535990 736169344 /nfs/dbraw/zinc/16/93/44/736169344.db2.gz BGSNMZZBMRFVCV-XPTSAGLGSA-N 0 3 369.805 2.507 20 5 FFBDHN CCN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000910282410 737052357 /nfs/dbraw/zinc/05/23/57/737052357.db2.gz PCAQPEOYBYQZQO-NSHDSACASA-N 0 3 370.247 2.914 20 5 FFBDHN CC(C)c1ccc(CNC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1[N+](=O)[O-] ZINC000922851622 738209683 /nfs/dbraw/zinc/20/96/83/738209683.db2.gz GEYPICRHBQWLDH-GOOCMWNKSA-N 0 3 352.456 2.916 20 5 FFBDHN CCN(CC)CCS(=O)(=O)Oc1ccc([N+](=O)[O-])c2ccccc12 ZINC000810056628 741378117 /nfs/dbraw/zinc/37/81/17/741378117.db2.gz YXIWPMWJVVIBFK-UHFFFAOYSA-N 0 3 352.412 2.798 20 5 FFBDHN COCC[C@@H](Cc1cccc(Br)c1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813105788 741677594 /nfs/dbraw/zinc/67/75/94/741677594.db2.gz UNUYDPSHOPCENL-YPMHNXCESA-N 0 3 374.231 2.853 20 5 FFBDHN Cc1[nH]c2ccc(Br)cc2c1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813109942 741677855 /nfs/dbraw/zinc/67/78/55/741677855.db2.gz QMUGGBMRZVUGRM-QMMMGPOBSA-N 0 3 355.188 2.990 20 5 FFBDHN CC(COC(=O)c1nn(-c2ccc(F)cc2)cc1Br)[N+](=O)[O-] ZINC000813110736 741678228 /nfs/dbraw/zinc/67/82/28/741678228.db2.gz IHZONTPWQAJEOC-QMMMGPOBSA-N 0 3 372.150 2.596 20 5 FFBDHN Cc1ccc(CN2CC=C(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(Cl)c1 ZINC001000675151 742093643 /nfs/dbraw/zinc/09/36/43/742093643.db2.gz SDXGRNTWPQEVFC-NVXWUHKLSA-N 0 3 363.845 2.562 20 5 FFBDHN CN(C)CCn1nccc1NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000820714562 742539388 /nfs/dbraw/zinc/53/93/88/742539388.db2.gz CQZJRUZRPXKCLG-UHFFFAOYSA-N 0 3 365.821 2.578 20 5 FFBDHN C[NH+](C)[C@H](CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1cccs1 ZINC000821581008 742643562 /nfs/dbraw/zinc/64/35/62/742643562.db2.gz ATXYIUPHXGQAHU-CYBMUJFWSA-N 0 3 359.415 2.551 20 5 FFBDHN CC[C@@H](CNCc1ccc(OC)c([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000824661361 743124051 /nfs/dbraw/zinc/12/40/51/743124051.db2.gz WZNJHJKCCBIPCK-ZDUSSCGKSA-N 0 3 353.419 2.996 20 5 FFBDHN CO[C@H]1C[C@@H](NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C12CCC2 ZINC000839191035 746798418 /nfs/dbraw/zinc/79/84/18/746798418.db2.gz NHSXUJVWDXTUFB-KGLIPLIRSA-N 0 3 353.806 2.734 20 5 FFBDHN CC([C@@H](OC(=O)CCNC(=O)C(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845872537 748340560 /nfs/dbraw/zinc/34/05/60/748340560.db2.gz JGGXSLCYECHPNZ-IAQYHMDHSA-N 0 3 354.378 2.628 20 5 FFBDHN COC(=O)N(C)CCCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845874666 748341711 /nfs/dbraw/zinc/34/17/11/748341711.db2.gz JHVJKRAAWXWFAJ-XHDPSFHLSA-N 0 3 356.350 2.554 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000120098663 958861346 /nfs/dbraw/zinc/86/13/46/958861346.db2.gz SYRLSGNTKNCUSP-DYVFJYSZSA-N 0 3 357.385 2.984 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000134940030 960554576 /nfs/dbraw/zinc/55/45/76/960554576.db2.gz FTDYDGGAQKIUSB-QAPCUYQASA-N 0 3 353.422 2.917 20 5 FFBDHN C[C@@H](NC(=O)NC[C@H]1Cc2ccccc2CN1)c1ccccc1[N+](=O)[O-] ZINC000891751227 965014856 /nfs/dbraw/zinc/01/48/56/965014856.db2.gz RCIJWLIQVSAIKM-CZUORRHYSA-N 0 3 354.410 2.670 20 5 FFBDHN C[C@H](Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)[C@@H]1CN(C)CCN1C ZINC000895246130 968758447 /nfs/dbraw/zinc/75/84/47/968758447.db2.gz LRGZWYRJFHRBQU-GUYCJALGSA-N 0 3 373.432 2.842 20 5 FFBDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000065893742 969134048 /nfs/dbraw/zinc/13/40/48/969134048.db2.gz WJBCSDJLUZVIBT-UHFFFAOYSA-N 0 3 360.389 2.520 20 5 FFBDHN COc1c(O)ccc(CNC[C@H]2CCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000895469737 970654238 /nfs/dbraw/zinc/65/42/38/970654238.db2.gz RBVIQHCEXLZMJC-MRXNPFEDSA-N 0 3 357.410 2.673 20 5 FFBDHN O=C(OCCn1cc([N+](=O)[O-])cn1)c1cccc(CN2CCCCC2)c1 ZINC000842343978 977365872 /nfs/dbraw/zinc/36/58/72/977365872.db2.gz VOQVBHMKAYBRQE-UHFFFAOYSA-N 0 3 358.398 2.634 20 5 FFBDHN O=[N+]([O-])c1cnn(C2CC(N[C@H]3CCc4ccccc4-n4ccnc43)C2)c1 ZINC000877644091 1014659079 /nfs/dbraw/zinc/65/90/79/1014659079.db2.gz QKCFVCIVDUOSKG-DQPZFDDXSA-N 0 3 364.409 2.958 20 5 FFBDHN C[C@@H]1CN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CCN(C2CC2)C1 ZINC000878658205 1015154070 /nfs/dbraw/zinc/15/40/70/1015154070.db2.gz VCTWGSDXYFYEIC-CYBMUJFWSA-N 0 3 357.414 2.561 20 5 FFBDHN COc1cc(CN[C@H]2COC[C@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000914435950 987666677 /nfs/dbraw/zinc/66/66/77/987666677.db2.gz MUVDQGRMZICLMJ-STQMWFEESA-N 0 3 372.368 2.762 20 5 FFBDHN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000915297298 988395345 /nfs/dbraw/zinc/39/53/45/988395345.db2.gz BTKLAYIHWXVVEZ-VXGBXAGGSA-N 0 3 364.402 2.804 20 5 FFBDHN O=C(c1cc2ccccc2c2cccnc12)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000673514233 988433283 /nfs/dbraw/zinc/43/32/83/988433283.db2.gz LVZDMHZMZZYRKR-DLBZAZTESA-N 0 3 361.445 2.669 20 5 FFBDHN CN(C)c1ccnc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000922477757 988628567 /nfs/dbraw/zinc/62/85/67/988628567.db2.gz DZEZPEFSFRXBGV-UHFFFAOYSA-N 0 3 366.425 2.746 20 5 FFBDHN COc1cc(CN[C@H]2C[C@@](CO)(c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000923010675 990790792 /nfs/dbraw/zinc/79/07/92/990790792.db2.gz YFMTVPKTEBTIRP-MOBUCQHHSA-N 0 3 372.421 2.794 20 5 FFBDHN Cc1cc(C(=O)NCCCN2CCc3ccccc3C2)c(N)c([N+](=O)[O-])c1 ZINC000068513858 991457113 /nfs/dbraw/zinc/45/71/13/991457113.db2.gz KNRHTVWMTGIWLA-UHFFFAOYSA-N 0 3 368.437 2.664 20 5 FFBDHN COc1nc(C)nc(-n2c(-c3ccccc3)cnc2[C@H](C)N)c1[N+](=O)[O-] ZINC001170679845 995461042 /nfs/dbraw/zinc/46/10/42/995461042.db2.gz KKWZSVLMQGWOLU-JTQLQIEISA-N 0 3 354.370 2.574 20 5 FFBDHN O=[N+]([O-])c1ccccc1CN[C@@]1(CO)CCCN(Cc2ccccc2)C1 ZINC000733898731 999127377 /nfs/dbraw/zinc/12/73/77/999127377.db2.gz TXLCVWCILQDROA-FQEVSTJZSA-N 0 3 355.438 2.712 20 5 FFBDHN Cc1cc(N2CCN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)n(-c2ccccc2)n1 ZINC001169038885 1000016969 /nfs/dbraw/zinc/01/69/69/1000016969.db2.gz LDMRZRZCQYGNNW-IEBWSBKVSA-N 0 3 369.469 2.748 20 5 FFBDHN CS(=O)(=O)c1cccc(C2CCN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169054834 1000019083 /nfs/dbraw/zinc/01/90/83/1000019083.db2.gz NTKKTSPJOGZQLA-RHSMWYFYSA-N 0 3 366.483 2.715 20 5 FFBDHN CN1CCN(CCCNc2ccc(N)cc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000804345047 1000093670 /nfs/dbraw/zinc/09/36/70/1000093670.db2.gz SVWXXVDMRSUWIS-HXUWFJFHSA-N 0 3 369.469 2.968 20 5 FFBDHN Cn1cc([C@H](O)C[C@@H]2CCCN2C/C=C\c2ccccc2[N+](=O)[O-])cn1 ZINC000770388041 1000784099 /nfs/dbraw/zinc/78/40/99/1000784099.db2.gz ULOBHHVIHUHGCP-IXWMDQSNSA-N 0 3 356.426 2.930 20 5 FFBDHN CN(C)CCN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000746528426 1001316069 /nfs/dbraw/zinc/31/60/69/1001316069.db2.gz RQJMTHXUIYQBHK-UHFFFAOYSA-N 0 3 367.409 2.539 20 5 FFBDHN COc1ccccc1[C@@H](CO)NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000773006221 1001925719 /nfs/dbraw/zinc/92/57/19/1001925719.db2.gz COVWZQFYBWBKDU-LJQANCHMSA-N 0 3 371.437 2.895 20 5 FFBDHN COC(=O)[C@@H]1CC[C@@H](C)N([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170336150 1003118227 /nfs/dbraw/zinc/11/82/27/1003118227.db2.gz UUYHXSMASAVHFH-UMVBOHGHSA-N 0 3 350.415 2.808 20 5 FFBDHN COc1ccc(C[C@@H](C)N2CCC[C@]3(CCCC(=O)N3)C2)c([N+](=O)[O-])c1 ZINC001170341082 1003130432 /nfs/dbraw/zinc/13/04/32/1003130432.db2.gz NEEDQVBKEIKCFU-AUUYWEPGSA-N 0 3 361.442 2.669 20 5 FFBDHN COC(=O)[C@@H]1CCCN([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])[C@H]1C ZINC001170345206 1003131595 /nfs/dbraw/zinc/13/15/95/1003131595.db2.gz HYRTVJQDWWWGBM-HEHGZKQESA-N 0 3 350.415 2.808 20 5 FFBDHN COc1ccc(C[C@H](C)N2CCCN(c3ncccn3)CC2)c([N+](=O)[O-])c1 ZINC001170344677 1003131831 /nfs/dbraw/zinc/13/18/31/1003131831.db2.gz FCTKHVVTBTXLHY-HNNXBMFYSA-N 0 3 371.441 2.537 20 5 FFBDHN CN(CC1CN(C)C1)c1c2ccc(Br)cc2ncc1[N+](=O)[O-] ZINC001186963654 1003501060 /nfs/dbraw/zinc/50/10/60/1003501060.db2.gz DGIPDGMUSRCJQL-UHFFFAOYSA-N 0 3 365.231 2.903 20 5 FFBDHN CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000805764563 1004138228 /nfs/dbraw/zinc/13/82/28/1004138228.db2.gz HFWNPTJXMQMSBW-AWEZNQCLSA-N 0 3 367.450 2.561 20 5 FFBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)N(C)Cc1ccccc1 ZINC000110349877 1005931320 /nfs/dbraw/zinc/93/13/20/1005931320.db2.gz XMENIEYBWBIZQU-HNNXBMFYSA-N 0 3 370.453 2.911 20 5 FFBDHN C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CCN1Cc1ccccc1 ZINC000813824387 1006045585 /nfs/dbraw/zinc/04/55/85/1006045585.db2.gz YCAFVTAHLDVJSP-YVEFUNNKSA-N 0 3 372.400 2.709 20 5 FFBDHN CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)CCN1 ZINC000856484196 1007850143 /nfs/dbraw/zinc/85/01/43/1007850143.db2.gz AJZUMRILGLIUKH-SFHVURJKSA-N 0 3 374.485 2.901 20 5 FFBDHN Cc1cc(C)n(-c2ccc(CNC[C@@H](O)c3ccc([N+](=O)[O-])cc3)cn2)n1 ZINC000818964441 1007980003 /nfs/dbraw/zinc/98/00/03/1007980003.db2.gz WEKCZYBXCSVTBC-GOSISDBHSA-N 0 3 367.409 2.616 20 5 FFBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCc2ccc(OCC(F)(F)F)nc2)c1 ZINC000818957368 1007994633 /nfs/dbraw/zinc/99/46/33/1007994633.db2.gz UYGIGPPRUSTTQU-AWEZNQCLSA-N 0 3 371.315 2.754 20 5 FFBDHN CC(=O)N1CC[C@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000819192463 1008062963 /nfs/dbraw/zinc/06/29/63/1008062963.db2.gz YQPKEXMSTYFWBD-HKUYNNGSSA-N 0 3 355.394 2.716 20 5 FFBDHN Cc1ccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)c(N2CCCC2)n1 ZINC000819219082 1008075116 /nfs/dbraw/zinc/07/51/16/1008075116.db2.gz BVQBRTGSBRAHJN-SFHVURJKSA-N 0 3 356.426 2.722 20 5 FFBDHN COCCN1CCC(NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000858777522 1008422157 /nfs/dbraw/zinc/42/21/57/1008422157.db2.gz QLSNOSMWSOGCDQ-UHFFFAOYSA-N 0 3 357.410 2.589 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000137441317 1008610395 /nfs/dbraw/zinc/61/03/95/1008610395.db2.gz ACLZBQHOAQMMQK-CZUORRHYSA-N 0 3 354.410 2.570 20 5 FFBDHN Cc1nn(CCC(=O)O[C@H]2CCN(Cc3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000117101278 1008762656 /nfs/dbraw/zinc/76/26/56/1008762656.db2.gz YFJISXPQTJBCSE-KRWDZBQOSA-N 0 3 372.425 2.616 20 5 FFBDHN CN(C)CCN(Cc1ccccc1)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000824008346 1009292483 /nfs/dbraw/zinc/29/24/83/1009292483.db2.gz NKXYXEPGDLFQDS-UHFFFAOYSA-N 0 3 357.414 2.773 20 5 FFBDHN C[C@@H]1Cc2cc(CN3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)ccc2O1 ZINC001179937396 1009497347 /nfs/dbraw/zinc/49/73/47/1009497347.db2.gz LWLWOWHNJGRQDE-CJNGLKHVSA-N 0 3 354.410 3.000 20 5 FFBDHN CN(CCN1CC2(C1)CCOCC2)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000866256702 1010962722 /nfs/dbraw/zinc/96/27/22/1010962722.db2.gz OXUXNMKQJFQPHD-UHFFFAOYSA-N 0 3 356.426 2.692 20 5 FFBDHN CCN(CCn1cccn1)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173195113 1012338296 /nfs/dbraw/zinc/33/82/96/1012338296.db2.gz BZCBEQAVKOKLOX-ZDUSSCGKSA-N 0 3 350.394 2.892 20 5 FFBDHN CCO[C@H](C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-])C1CCOCC1 ZINC000870454557 1012389504 /nfs/dbraw/zinc/38/95/04/1012389504.db2.gz MIHGAABVIDIWBT-VUCTXSBTSA-N 0 3 369.389 2.907 20 5 FFBDHN C[C@@H]1CCC[C@H](N(C)CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000726586211 1020488885 /nfs/dbraw/zinc/48/88/85/1020488885.db2.gz IPFBARIZDAXWIR-KGLIPLIRSA-N 0 3 360.414 2.831 20 5 FFBDHN CCOc1cc(CN2CCC[C@H]([C@]3(C)COC(=O)N3)C2)ccc1[N+](=O)[O-] ZINC000932018128 1020668794 /nfs/dbraw/zinc/66/87/94/1020668794.db2.gz ACKAJDCFKUINGD-KSSFIOAISA-N 0 3 363.414 2.704 20 5 FFBDHN COc1cc(C(=O)N(CCc2ccccc2)CCN(C)C)ccc1[N+](=O)[O-] ZINC000751088657 1022754604 /nfs/dbraw/zinc/75/46/04/1022754604.db2.gz MHQLKQJWSNSITA-UHFFFAOYSA-N 0 3 371.437 2.850 20 5 FFBDHN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@H]2CCCN2C)CC1 ZINC000194740323 1024886199 /nfs/dbraw/zinc/88/61/99/1024886199.db2.gz OYSHSVKINLJFPM-MRXNPFEDSA-N 0 3 360.458 2.655 20 5 FFBDHN NCc1ccc2c(n1)N(c1ccc(-c3ccc([N+](=O)[O-])cc3)nn1)CCC2 ZINC001158652324 1027085067 /nfs/dbraw/zinc/08/50/67/1027085067.db2.gz OTYUPUHVMIZZLO-UHFFFAOYSA-N 0 3 362.393 2.990 20 5 FFBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CCCN2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001161885243 1028349029 /nfs/dbraw/zinc/34/90/29/1028349029.db2.gz KNLOJQNGIOWNGZ-AWEZNQCLSA-N 0 3 357.370 2.975 20 5 FFBDHN C[Si](C)(C)CCOCN[C@@H]1CCCN(c2cccc([N+](=O)[O-])n2)C1 ZINC001156467027 1029202313 /nfs/dbraw/zinc/20/23/13/1029202313.db2.gz YVFQCLPMLXYSAB-CQSZACIVSA-N 0 3 352.511 2.861 20 5 FFBDHN Cc1ccccc1[C@@H](CO)NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782531736 1029734932 /nfs/dbraw/zinc/73/49/32/1029734932.db2.gz SIVYDIPYOFAROY-QGZVFWFLSA-N 0 3 361.373 2.694 20 5 FFBDHN Cc1nc(N(Cc2ccc(F)cc2)C2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC001158454217 1029833272 /nfs/dbraw/zinc/83/32/72/1029833272.db2.gz OWUVKLVKBWHXAE-UHFFFAOYSA-N 0 3 359.405 2.933 20 5 FFBDHN COC(=O)Cc1ccc(NCC2CN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001165469782 1029992003 /nfs/dbraw/zinc/99/20/03/1029992003.db2.gz QRUINYOZTCDQQY-UHFFFAOYSA-N 0 3 369.421 2.854 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CCCn3cnc(CNC4CCC4)c3C2)n1 ZINC001165911126 1030168932 /nfs/dbraw/zinc/16/89/32/1030168932.db2.gz MVKTUJSYYYRJJP-UHFFFAOYSA-N 0 3 370.457 2.856 20 5 FFBDHN Cc1ccccc1CN1CCO[C@@H](CNCc2cccc([N+](=O)[O-])c2)C1 ZINC001203413729 1030689187 /nfs/dbraw/zinc/68/91/87/1030689187.db2.gz CZCPNBPFBWFQDA-FQEVSTJZSA-N 0 3 355.438 2.894 20 5 FFBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831538928 1034118037 /nfs/dbraw/zinc/11/80/37/1034118037.db2.gz JOPZITHWHBKKKJ-OAHLLOKOSA-N 0 3 372.381 2.544 20 5 FFBDHN COc1cc(O[C@@H](C)C[N+](C)(C)C)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227645853 1035653764 /nfs/dbraw/zinc/65/37/64/1035653764.db2.gz KHBKSLKYVOFXEQ-NSHDSACASA-O 0 3 374.413 2.840 20 5 FFBDHN CC(=O)Nc1cc(O[C@H]2C[C@H]3CC[C@@H](C2)N3C)c(C(C)=O)cc1[N+](=O)[O-] ZINC001229130691 1036512964 /nfs/dbraw/zinc/51/29/64/1036512964.db2.gz SNYFEOVLCJJXIC-WDNDVIMCSA-N 0 3 361.398 2.760 20 5 FFBDHN CCN1CC[C@H](Oc2cccc(I)c2[N+](=O)[O-])C1 ZINC001229656278 1036807279 /nfs/dbraw/zinc/80/72/79/1036807279.db2.gz ATISNDXGSOXZGY-VIFPVBQESA-N 0 3 362.167 2.672 20 5 FFBDHN O=[N+]([O-])c1c[nH]cc2nc(OC3CCN(Cc4ccccc4)CC3)nc1-2 ZINC001230230121 1037162735 /nfs/dbraw/zinc/16/27/35/1037162735.db2.gz KXPWKDJGTITGMD-UHFFFAOYSA-N 0 3 353.382 2.910 20 5 FFBDHN COc1cc(N2CCC(N[C@H](C)c3cnccn3)CC2)ccc1[N+](=O)[O-] ZINC001256087656 1038372756 /nfs/dbraw/zinc/37/27/56/1038372756.db2.gz JREOFWYPEKAXEX-CYBMUJFWSA-N 0 3 357.414 2.713 20 5 FFBDHN COc1cc(N2CCC(N3CCCCC34COC4)CC2)ccc1[N+](=O)[O-] ZINC001256099195 1038384949 /nfs/dbraw/zinc/38/49/49/1038384949.db2.gz NCXJQSWMYQHABU-UHFFFAOYSA-N 0 3 361.442 2.827 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@H](F)[C@@](O)(C(F)(F)F)CC1)C2 ZINC001254593151 1040823147 /nfs/dbraw/zinc/82/31/47/1040823147.db2.gz JJDFGGVOJIHBJZ-QLFBSQMISA-N 0 3 362.323 2.789 20 5 FFBDHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC001261813686 1041432655 /nfs/dbraw/zinc/43/26/55/1041432655.db2.gz BUKJADFVYSYFFL-INIZCTEOSA-N 0 3 369.421 2.731 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C(=O)NC2CCN(Cc3ccccc3)CC2)n1 ZINC001264339594 1042664740 /nfs/dbraw/zinc/66/47/40/1042664740.db2.gz OJZIRVVIZOBUKJ-UHFFFAOYSA-N 0 3 354.410 2.693 20 5 FFBDHN CO[C@]1(C)C[C@@H](NCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1(C)C ZINC001324502112 1046068800 /nfs/dbraw/zinc/06/88/00/1046068800.db2.gz GEBFGUZLXARVFD-CZUORRHYSA-N 0 3 355.822 2.980 20 5 FFBDHN CC(C)n1cnnc1[C@@H]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001324939953 1046297054 /nfs/dbraw/zinc/29/70/54/1046297054.db2.gz BURRXQQOQIEMFK-NVXWUHKLSA-N 0 3 359.430 2.680 20 5 FFBDHN O=C(c1ccncc1)N1CCC(NCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001325013493 1046335512 /nfs/dbraw/zinc/33/55/12/1046335512.db2.gz PLWYIVDZSBXKIH-UHFFFAOYSA-N 0 3 358.373 2.523 20 5 FFBDHN COCC[C@@H](CO)NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001325129206 1046384758 /nfs/dbraw/zinc/38/47/58/1046384758.db2.gz RNJHNMCSHYFJNG-LBPRGKRZSA-N 0 3 354.790 2.995 20 5 FFBDHN O=C1COc2ccccc2N1CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC001326560379 1046979735 /nfs/dbraw/zinc/97/97/35/1046979735.db2.gz FVTPJTVXNRELFJ-QGZVFWFLSA-N 0 3 367.405 2.987 20 5 FFBDHN O=C(N[C@H](CN1CCCC1)c1ccccc1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001540412472 1070883136 /nfs/dbraw/zinc/88/31/36/1070883136.db2.gz SKCNOGLUXHPSBC-GFCCVEGCSA-N 0 3 363.805 2.538 20 5 FFBDHN Cc1ccc(NC(=O)[C@]2(O)CCCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001540600344 1070944874 /nfs/dbraw/zinc/94/48/74/1070944874.db2.gz IWVLLBHILKNKOQ-FQEVSTJZSA-N 0 3 369.421 2.869 20 5 FFBDHN COC(=O)C1CCN(CCCNc2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001332198379 1048297212 /nfs/dbraw/zinc/29/72/12/1048297212.db2.gz WLRVLKAWLPNLOB-UHFFFAOYSA-N 0 3 372.425 2.830 20 5 FFBDHN CCC1(N2CCC2)CCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CC1 ZINC001334021245 1049206812 /nfs/dbraw/zinc/20/68/12/1049206812.db2.gz RQEYQWOOUAWQBG-UHFFFAOYSA-N 0 3 373.500 2.604 20 5 FFBDHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCN(C2CCCCC2)CC1 ZINC001307075635 1052247717 /nfs/dbraw/zinc/24/77/17/1052247717.db2.gz YJUCRUXIZKPYDM-UHFFFAOYSA-N 0 3 361.368 2.802 20 5 FFBDHN CN1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001339267976 1052255522 /nfs/dbraw/zinc/25/55/22/1052255522.db2.gz YQYXDNUOEKBUTE-LLVKDONJSA-N 0 3 356.220 2.571 20 5 FFBDHN COc1cc([N+](=O)[O-])cnc1NCC1CCN(Cc2ccncc2)CC1 ZINC001352064587 1055164684 /nfs/dbraw/zinc/16/46/84/1055164684.db2.gz JQJVXIPSDOSLJW-UHFFFAOYSA-N 0 3 357.414 2.718 20 5 FFBDHN CC([C@H](OC(=O)c1ccc2c(n1)OCCO2)c1ccccc1F)[N+](=O)[O-] ZINC000847737075 1056493371 /nfs/dbraw/zinc/49/33/71/1056493371.db2.gz HTACCEZQLPFUHL-BONVTDFDSA-N 0 3 362.313 2.555 20 5 FFBDHN CC([C@@H](OC(=O)c1ccc2c(n1)OCCO2)c1ccccc1F)[N+](=O)[O-] ZINC000847737078 1056493611 /nfs/dbraw/zinc/49/36/11/1056493611.db2.gz HTACCEZQLPFUHL-ZUZCIYMTSA-N 0 3 362.313 2.555 20 5 FFBDHN CC(C)N1CC[C@@H](C(=O)Oc2cccc([N+](=O)[O-])c2)[C@H](c2cnn(C)c2)C1 ZINC000849487692 1056872949 /nfs/dbraw/zinc/87/29/49/1056872949.db2.gz FBLCPNPGHVWRPG-MSOLQXFVSA-N 0 3 372.425 2.748 20 5 FFBDHN Cc1cccc(CN2CC[C@H](NC(=O)Cc3cccc(F)c3[N+](=O)[O-])C2)c1 ZINC001454307533 1059494785 /nfs/dbraw/zinc/49/47/85/1059494785.db2.gz CJVDAZOVADWSRN-KRWDZBQOSA-N 0 3 371.412 2.976 20 5 FFBDHN COC(=O)C(C)(C)CN(CC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)C ZINC001460697094 1061066157 /nfs/dbraw/zinc/06/61/57/1061066157.db2.gz TVDUFNMCMCUISC-UHFFFAOYSA-N 0 3 365.430 2.691 20 5 FFBDHN O=C(c1ccc([N+](=O)[O-])s1)N1C[C@@H](C[C@@H]2COCCN2)c2ccccc21 ZINC001523288236 1062425673 /nfs/dbraw/zinc/42/56/73/1062425673.db2.gz WYTNUFAHQMBKHF-CHWSQXEVSA-N 0 3 373.434 2.779 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N(Cc2ccco2)C2CCN(C)CC2)n1 ZINC001532353681 1063043128 /nfs/dbraw/zinc/04/31/28/1063043128.db2.gz SWNRAAXAHSFCSO-UHFFFAOYSA-N 0 3 358.398 2.628 20 5 FFBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001467548686 1063778000 /nfs/dbraw/zinc/77/80/00/1063778000.db2.gz UNSJGDYHXKYREI-KBPBESRZSA-N 0 3 370.409 2.733 20 5 FFBDHN Cc1cccc(CN2CC[C@@H](NC(=O)COc3cccc([N+](=O)[O-])c3)C2)c1 ZINC001470710395 1064420919 /nfs/dbraw/zinc/42/09/19/1064420919.db2.gz CTWJHLUFDXKYSW-QGZVFWFLSA-N 0 3 369.421 2.673 20 5 FFBDHN CCC[C@H]1CCCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001473260486 1065230952 /nfs/dbraw/zinc/23/09/52/1065230952.db2.gz XLVWUWCNCLAVFC-KRWDZBQOSA-N 0 3 374.485 2.756 20 5 FFBDHN C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001575969131 1078182780 /nfs/dbraw/zinc/18/27/80/1078182780.db2.gz IZGUHVWIDGVQFT-UPJWGTAASA-N 0 3 359.434 2.553 20 5 FFBDHN C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001575969131 1078182782 /nfs/dbraw/zinc/18/27/82/1078182782.db2.gz IZGUHVWIDGVQFT-UPJWGTAASA-N 0 3 359.434 2.553 20 5 FFBDHN COc1c(O)ccc(CN[C@](C)(CO)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC001560954669 1076313473 /nfs/dbraw/zinc/31/34/73/1076313473.db2.gz YVDSSPDKBUUPBM-SFHVURJKSA-N 0 3 364.373 2.531 20 5 FFBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC001562587475 1076505941 /nfs/dbraw/zinc/50/59/41/1076505941.db2.gz GDGPNEHVTAUEHQ-DYVFJYSZSA-N 0 3 357.414 2.533 20 5 FFBDHN CN(C(=O)c1ccc([N+](=O)[O-])cc1N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001587795166 1079866057 /nfs/dbraw/zinc/86/60/57/1079866057.db2.gz VVCFUCXBCDCULQ-QGZVFWFLSA-N 0 3 368.437 2.914 20 5 FFBDHN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC3CCN(C)CC3)cc2[N+](=O)[O-])C1 ZINC000031224305 249361216 /nfs/dbraw/zinc/36/12/16/249361216.db2.gz CVWIADLKRGMWBQ-HUUCEWRRSA-N 0 3 374.485 2.901 20 5 FFBDHN CCC1(CO)CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000093591454 250038589 /nfs/dbraw/zinc/03/85/89/250038589.db2.gz QHKKOORYTXYKGX-UHFFFAOYSA-N 0 3 358.442 2.980 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CCc1ccccn1 ZINC000152931249 251083259 /nfs/dbraw/zinc/08/32/59/251083259.db2.gz KOARCKKDJSIKQG-UHFFFAOYSA-N 0 3 358.398 2.502 20 5 FFBDHN COc1cc(CN[C@H]2CC[C@H](O)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272397375 252027782 /nfs/dbraw/zinc/02/77/82/252027782.db2.gz JQLIJBOAKOWLPU-HAQNSBGRSA-N 0 3 360.357 2.640 20 5 FFBDHN Cc1nccn1C[C@@H](C)CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272566825 252068702 /nfs/dbraw/zinc/06/87/02/252068702.db2.gz VARMKELQEGTKLC-KSSFIOAISA-N 0 3 368.441 2.849 20 5 FFBDHN CN1CC[C@@H]2CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272604401 252079630 /nfs/dbraw/zinc/07/96/30/252079630.db2.gz YYBYDVUWTAOWQY-QMTHXVAHSA-N 0 3 368.231 2.524 20 5 FFBDHN CN(C(=O)Nc1ccncc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000272785069 252131154 /nfs/dbraw/zinc/13/11/54/252131154.db2.gz ZZVTXSVLBIUKLI-HNNXBMFYSA-N 0 3 355.398 2.728 20 5 FFBDHN C[C@@]1(NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000273049001 252200179 /nfs/dbraw/zinc/20/01/79/252200179.db2.gz JYRZWDNLGPGCPA-JKSUJKDBSA-N 0 3 353.806 2.734 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN(CCC(F)(F)F)CC1CC1 ZINC000273390014 252294925 /nfs/dbraw/zinc/29/49/25/252294925.db2.gz UQUBJSMPWOSZDF-CYBMUJFWSA-N 0 3 362.348 2.999 20 5 FFBDHN COC(=O)c1cc(C(=O)Nc2ccccc2CCN(C)C)cc([N+](=O)[O-])c1 ZINC000275471371 256012437 /nfs/dbraw/zinc/01/24/37/256012437.db2.gz ATVNFQUATBVOMK-UHFFFAOYSA-N 0 3 371.393 2.738 20 5 FFBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@H]1CCCCN1C1CC1 ZINC000277753678 256235461 /nfs/dbraw/zinc/23/54/61/256235461.db2.gz CIBUAJBVCWQMSV-MRXNPFEDSA-N 0 3 356.426 2.752 20 5 FFBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000277964394 256261077 /nfs/dbraw/zinc/26/10/77/256261077.db2.gz KXNNIFOATPOXTI-OAHLLOKOSA-N 0 3 357.863 2.724 20 5 FFBDHN CN(C)[C@@H]1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000278529125 256322365 /nfs/dbraw/zinc/32/23/65/256322365.db2.gz UANFYAOBFVGCFB-MRVPVSSYSA-N 0 3 354.279 2.784 20 5 FFBDHN O=[N+]([O-])c1ccc(CN2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000278900837 256360208 /nfs/dbraw/zinc/36/02/08/256360208.db2.gz QYVDCTQBACVIFR-ZDUSSCGKSA-N 0 3 372.385 2.878 20 5 FFBDHN O=[N+]([O-])c1ccc(CN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c([N+](=O)[O-])c1 ZINC000278900837 256360210 /nfs/dbraw/zinc/36/02/10/256360210.db2.gz QYVDCTQBACVIFR-ZDUSSCGKSA-N 0 3 372.385 2.878 20 5 FFBDHN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC1CCN(C2CC2)CC1 ZINC000279866250 256459018 /nfs/dbraw/zinc/45/90/18/256459018.db2.gz FGCGHUDGLQZBMV-UHFFFAOYSA-N 0 3 355.797 2.673 20 5 FFBDHN COc1ccc([C@H](CN(C)C)NC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000286295907 257029682 /nfs/dbraw/zinc/02/96/82/257029682.db2.gz XFYQJKCIYCVZJQ-INIZCTEOSA-N 0 3 361.373 2.775 20 5 FFBDHN CC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1CN1CC[C@H](O)C1 ZINC000286720111 257051467 /nfs/dbraw/zinc/05/14/67/257051467.db2.gz DZDRDQIESMUGSV-SFHVURJKSA-N 0 3 369.421 2.976 20 5 FFBDHN Cc1c(NC(=O)N[C@@H](C)CN(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000287226230 257078625 /nfs/dbraw/zinc/07/86/25/257078625.db2.gz QFXJTMVLUXOQSV-QMMMGPOBSA-N 0 3 359.224 2.737 20 5 FFBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCCN3c4ccccc4C[C@H]3C2)c1 ZINC000289403845 257279328 /nfs/dbraw/zinc/27/93/28/257279328.db2.gz GDZWVQIKPIXANS-ICSRJNTNSA-N 0 3 353.422 2.765 20 5 FFBDHN Cc1nc2ccccn2c(=O)c1CCN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000289663505 257292739 /nfs/dbraw/zinc/29/27/39/257292739.db2.gz YCOVWOFXJKWTEG-CYBMUJFWSA-N 0 3 352.394 2.804 20 5 FFBDHN C[C@H](N[C@H](CO)Cc1c[nH]c2ccccc12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293572202 257552243 /nfs/dbraw/zinc/55/22/43/257552243.db2.gz DNZYDBVAPGOGQC-WFASDCNBSA-N 0 3 354.410 2.913 20 5 FFBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000296780040 257748117 /nfs/dbraw/zinc/74/81/17/257748117.db2.gz NILQTTBHAZIGJH-AWEZNQCLSA-N 0 3 361.442 2.746 20 5 FFBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](c1ccc(C)cc1)N(C)C ZINC000301069159 258022512 /nfs/dbraw/zinc/02/25/12/258022512.db2.gz DYPKUQQMIUBANQ-GOSISDBHSA-N 0 3 356.426 2.978 20 5 FFBDHN C[C@@H]1CCC[C@](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)(N(C)C)C1 ZINC000302632114 258107325 /nfs/dbraw/zinc/10/73/25/258107325.db2.gz JLKSGGMQSTYZBH-DYVFJYSZSA-N 0 3 369.487 2.921 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)CCN2 ZINC000302882849 258113651 /nfs/dbraw/zinc/11/36/51/258113651.db2.gz KGOXRUGFHDRWFC-JKSUJKDBSA-N 0 3 368.437 2.610 20 5 FFBDHN Cc1nc(N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000301736144 258065591 /nfs/dbraw/zinc/06/55/91/258065591.db2.gz VCAKYMNXXNUSGO-DLBZAZTESA-N 0 3 356.426 2.593 20 5 FFBDHN CCN1CCN([C@@H]2CCN(c3cc(C)nc4c3cccc4[N+](=O)[O-])C2)CC1 ZINC000301984811 258080392 /nfs/dbraw/zinc/08/03/92/258080392.db2.gz CHKUCLQDBDSVCQ-MRXNPFEDSA-N 0 3 369.469 2.668 20 5 FFBDHN C[C@@H]1CCCN(c2ccc(C(=O)NCC3=CCN(C)CC3)cc2[N+](=O)[O-])C1 ZINC000332055484 258211837 /nfs/dbraw/zinc/21/18/37/258211837.db2.gz NDZDUYLTQFCAIO-OAHLLOKOSA-N 0 3 372.469 2.823 20 5 FFBDHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000332659276 258239326 /nfs/dbraw/zinc/23/93/26/258239326.db2.gz WOYUNVWDZNIXGX-CMPLNLGQSA-N 0 3 355.341 2.505 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000064960244 506245675 /nfs/dbraw/zinc/24/56/75/506245675.db2.gz FCMBZPIDEOGBBO-ZDUSSCGKSA-N 0 3 369.487 2.692 20 5 FFBDHN C[C@@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC[C@@H](C)C1 ZINC000065867395 506382078 /nfs/dbraw/zinc/38/20/78/506382078.db2.gz SHXOTTZEGUEUEF-CABCVRRESA-N 0 3 358.442 2.786 20 5 FFBDHN Cc1sc(C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000371211345 512271066 /nfs/dbraw/zinc/27/10/66/512271066.db2.gz YZKCDKRVAOOENN-LBPRGKRZSA-N 0 3 361.423 2.934 20 5 FFBDHN C[C@H](O)CNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000066067906 506421289 /nfs/dbraw/zinc/42/12/89/506421289.db2.gz ZQGCIJNCKFIUAP-AWEZNQCLSA-N 0 3 352.394 2.918 20 5 FFBDHN CCCCNC(=O)[C@@H]1CC[C@H](C)N(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000066474329 506529785 /nfs/dbraw/zinc/52/97/85/506529785.db2.gz SKXQGIPMWDDVTL-JKSUJKDBSA-N 0 3 363.458 2.990 20 5 FFBDHN CN(C)Cc1cccc(NC(=O)NCCNc2ccccc2[N+](=O)[O-])c1 ZINC000044277489 506829635 /nfs/dbraw/zinc/82/96/35/506829635.db2.gz WQCWKRPHUGEQSD-UHFFFAOYSA-N 0 3 357.414 2.890 20 5 FFBDHN Cc1nn(C)cc1[C@@H]1CCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000367050036 512314244 /nfs/dbraw/zinc/31/42/44/512314244.db2.gz LMJQVZIUMHCSJR-INIZCTEOSA-N 0 3 357.414 2.802 20 5 FFBDHN CN(C)CCOc1ccc(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000068130252 507123023 /nfs/dbraw/zinc/12/30/23/507123023.db2.gz UQIGPNDXVHEMJI-UHFFFAOYSA-N 0 3 361.373 2.604 20 5 FFBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](C)N(C)C1CC1 ZINC000068195857 507143848 /nfs/dbraw/zinc/14/38/48/507143848.db2.gz VDDVPDOWMFPUOC-WDEREUQCSA-N 0 3 355.822 2.614 20 5 FFBDHN CN(C)C[C@H](O)COc1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000069120405 507413987 /nfs/dbraw/zinc/41/39/87/507413987.db2.gz YNWZZXQPUBMTSW-INIZCTEOSA-N 0 3 374.397 2.540 20 5 FFBDHN CC(C)(CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCCCC1 ZINC000048178387 507472743 /nfs/dbraw/zinc/47/27/43/507472743.db2.gz BNNFUHGQDNDRNC-UHFFFAOYSA-N 0 3 371.441 2.775 20 5 FFBDHN CC(C)CN1CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000049970354 507645529 /nfs/dbraw/zinc/64/55/29/507645529.db2.gz MQAPSSSVWOXKLQ-AWEZNQCLSA-N 0 3 359.430 2.979 20 5 FFBDHN CC[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCS1 ZINC000072862682 507866045 /nfs/dbraw/zinc/86/60/45/507866045.db2.gz OCABZYKSEHATSX-CYBMUJFWSA-N 0 3 353.444 2.759 20 5 FFBDHN CCN1CCN(c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000074165179 507993812 /nfs/dbraw/zinc/99/38/12/507993812.db2.gz KYFHYZWFORTGTI-UHFFFAOYSA-N 0 3 354.410 2.989 20 5 FFBDHN CCN1CCN(C[C@@H](C)CNc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000092612740 508086685 /nfs/dbraw/zinc/08/66/85/508086685.db2.gz RVAMIQSYIPBRTN-HNNXBMFYSA-N 0 3 357.458 2.829 20 5 FFBDHN CCCc1n[nH]c(C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000081122297 508140637 /nfs/dbraw/zinc/14/06/37/508140637.db2.gz JTBQCPLUQDAFIT-HNNXBMFYSA-N 0 3 371.441 2.617 20 5 FFBDHN CCCc1[nH]nc(C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000081122297 508140638 /nfs/dbraw/zinc/14/06/38/508140638.db2.gz JTBQCPLUQDAFIT-HNNXBMFYSA-N 0 3 371.441 2.617 20 5 FFBDHN CCCCN(C)CCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000112310548 508173189 /nfs/dbraw/zinc/17/31/89/508173189.db2.gz RHBXJWNEXICZCD-GFCCVEGCSA-N 0 3 357.838 2.864 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(C)CC12CCCCC2 ZINC000081598758 508195095 /nfs/dbraw/zinc/19/50/95/508195095.db2.gz RYDRJVYGPOOQMS-UHFFFAOYSA-N 0 3 360.458 2.792 20 5 FFBDHN CC(C)OCCN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000081995466 508224025 /nfs/dbraw/zinc/22/40/25/508224025.db2.gz RFOBPBQYJBBUBD-UHFFFAOYSA-N 0 3 369.849 2.867 20 5 FFBDHN COc1ccc(NC(=O)CCN2CCSC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000083415912 508245167 /nfs/dbraw/zinc/24/51/67/508245167.db2.gz LYWOBRHDYBLLOK-UHFFFAOYSA-N 0 3 353.444 2.759 20 5 FFBDHN Cc1cccc(CN(CCN(C)C)C(=O)COc2ccccc2[N+](=O)[O-])c1 ZINC000103114249 508297221 /nfs/dbraw/zinc/29/72/21/508297221.db2.gz SGKIOIZDWUKZMF-UHFFFAOYSA-N 0 3 371.437 2.872 20 5 FFBDHN CN(CCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)Cc1ccccc1 ZINC000087061813 508334664 /nfs/dbraw/zinc/33/46/64/508334664.db2.gz UCXPVLRJAZBBTP-UHFFFAOYSA-N 0 3 368.437 2.795 20 5 FFBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000115436223 508394281 /nfs/dbraw/zinc/39/42/81/508394281.db2.gz ANFQMBWCORARBO-OAHLLOKOSA-N 0 3 360.458 2.609 20 5 FFBDHN O=C(N[C@H]1CCN(CC2CC2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000121779161 508417068 /nfs/dbraw/zinc/41/70/68/508417068.db2.gz KNXKELPOKAIJDE-INIZCTEOSA-N 0 3 358.442 2.753 20 5 FFBDHN COc1ccc(-c2ccc(CNCCC[S@@](C)=O)o2)c([N+](=O)[O-])c1 ZINC000116918690 508571196 /nfs/dbraw/zinc/57/11/96/508571196.db2.gz YLHQLMBIYIDPSV-DEOSSOPVSA-N 0 3 352.412 2.722 20 5 FFBDHN CCCCNC(=O)[C@@H]1CC[C@H](C)N(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000153774635 508645661 /nfs/dbraw/zinc/64/56/61/508645661.db2.gz TWUUVTZSDWJKBG-LESCRADOSA-N 0 3 363.458 2.645 20 5 FFBDHN CC(C)(CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCCC1 ZINC000123317576 508667891 /nfs/dbraw/zinc/66/78/91/508667891.db2.gz OCNHWLNBXPMAOQ-UHFFFAOYSA-N 0 3 358.442 2.999 20 5 FFBDHN CN(CCN1CCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000118807864 508676824 /nfs/dbraw/zinc/67/68/24/508676824.db2.gz PUHIDRUOYBHHEU-UHFFFAOYSA-N 0 3 358.345 2.756 20 5 FFBDHN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136893952 508722995 /nfs/dbraw/zinc/72/29/95/508722995.db2.gz UBUDSOHOMVXJDQ-KUHUBIRLSA-N 0 3 367.409 2.902 20 5 FFBDHN C[C@@H]1C[C@H](N(C)C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000124068258 508778677 /nfs/dbraw/zinc/77/86/77/508778677.db2.gz ABLFHMQMMMCBHJ-CZUORRHYSA-N 0 3 371.441 2.550 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCN(CC(C)C)C1 ZINC000120161144 508940289 /nfs/dbraw/zinc/94/02/89/508940289.db2.gz RXCDGLMIJILKEE-OAHLLOKOSA-N 0 3 369.487 2.550 20 5 FFBDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000155187544 508943382 /nfs/dbraw/zinc/94/33/82/508943382.db2.gz TUSJQJDTSJKFTQ-ZDUSSCGKSA-N 0 3 369.425 2.527 20 5 FFBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H]2CCCS2(=O)=O)s1 ZINC000131685778 508959450 /nfs/dbraw/zinc/95/94/50/508959450.db2.gz HAZWXWFKCBBEDZ-ZDUSSCGKSA-N 0 3 366.464 2.990 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H]1CC(C)(C)OC1(C)C ZINC000132405539 509026981 /nfs/dbraw/zinc/02/69/81/509026981.db2.gz FFRCPAKJSSRDCV-NHYWBVRUSA-N 0 3 365.430 2.866 20 5 FFBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)n1 ZINC000191801339 509187681 /nfs/dbraw/zinc/18/76/81/509187681.db2.gz LEPUPRIPWHRPAS-ZDUSSCGKSA-N 0 3 359.430 2.670 20 5 FFBDHN C[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1COc2ccccc21 ZINC000185566444 509240195 /nfs/dbraw/zinc/24/01/95/509240195.db2.gz NMIGNNCACCKLJS-DYVFJYSZSA-N 0 3 367.405 2.638 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000248401229 509296372 /nfs/dbraw/zinc/29/63/72/509296372.db2.gz ZDBBRSPCMYJARD-CXAGYDPISA-N 0 3 354.410 2.626 20 5 FFBDHN C[C@H](CN(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000248439528 509320504 /nfs/dbraw/zinc/32/05/04/509320504.db2.gz CMNRERSHIQYUIH-CHWSQXEVSA-N 0 3 351.428 2.527 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(c3ccc(Cl)cc3)CC2)c1 ZINC000185785875 509355030 /nfs/dbraw/zinc/35/50/30/509355030.db2.gz UMGORLCEDJOTTN-QGZVFWFLSA-N 0 3 364.833 2.685 20 5 FFBDHN CCOc1ccc([C@@H](C)NCCN2CCOCC2(C)C)cc1[N+](=O)[O-] ZINC000179418281 509433279 /nfs/dbraw/zinc/43/32/79/509433279.db2.gz OWLFIYKLRORKJE-CQSZACIVSA-N 0 3 351.447 2.755 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000248875744 509523989 /nfs/dbraw/zinc/52/39/89/509523989.db2.gz RABNTDQUBHHAAN-NVXWUHKLSA-N 0 3 369.421 2.610 20 5 FFBDHN COc1ccc(OCCN(CCO)[C@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000173386661 509567803 /nfs/dbraw/zinc/56/78/03/509567803.db2.gz ZPLRIMGHVVYNNN-SFHVURJKSA-N 0 3 372.421 2.964 20 5 FFBDHN Cn1cc(N2CCC[C@H](N[C@H]3CCCc4ccc([N+](=O)[O-])cc43)C2)cn1 ZINC000249037921 509579715 /nfs/dbraw/zinc/57/97/15/509579715.db2.gz TXGMRZFXTDFOPP-KXBFYZLASA-N 0 3 355.442 2.964 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000192684707 509597480 /nfs/dbraw/zinc/59/74/80/509597480.db2.gz ABKBHXXWFMCITA-UHFFFAOYSA-N 0 3 363.483 2.995 20 5 FFBDHN COc1ccc([C@H]2CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000249903470 509778502 /nfs/dbraw/zinc/77/85/02/509778502.db2.gz UFZISRMOIQPULF-FUHWJXTLSA-N 0 3 372.421 2.833 20 5 FFBDHN CCC1(CC)[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC000186608781 509800333 /nfs/dbraw/zinc/80/03/33/509800333.db2.gz SZNVJRYFVMMFTN-HOTGVXAUSA-N 0 3 370.471 2.552 20 5 FFBDHN C[C@@H]1CCCCN1CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176987394 509801730 /nfs/dbraw/zinc/80/17/30/509801730.db2.gz YICOBIHVYMFHOO-LLVKDONJSA-N 0 3 370.247 2.962 20 5 FFBDHN Cc1cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)N3C(C)C)ccc1[N+](=O)[O-] ZINC000173849651 509815587 /nfs/dbraw/zinc/81/55/87/509815587.db2.gz CVLUCIOFHGEPDV-CABCVRRESA-N 0 3 367.471 2.539 20 5 FFBDHN Cc1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)N3C(C)C)cc1[N+](=O)[O-] ZINC000173850045 509815754 /nfs/dbraw/zinc/81/57/54/509815754.db2.gz LUMUTDVNSRFSSY-CABCVRRESA-N 0 3 367.471 2.539 20 5 FFBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183551158 509856476 /nfs/dbraw/zinc/85/64/76/509856476.db2.gz PIKWDGMEQDISAU-UHFFFAOYSA-N 0 3 361.377 2.725 20 5 FFBDHN CN(CCN(C)C1CC1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000186773824 509895779 /nfs/dbraw/zinc/89/57/79/509895779.db2.gz LQOMNXOLTGCBJA-UHFFFAOYSA-N 0 3 360.439 2.885 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC2CCN(C(C)(C)C)CC2)cc1C ZINC000193815224 510082974 /nfs/dbraw/zinc/08/29/74/510082974.db2.gz IVGYIVVKADVYHI-UHFFFAOYSA-N 0 3 369.487 2.753 20 5 FFBDHN C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)N(C)C ZINC000187223788 510135308 /nfs/dbraw/zinc/13/53/08/510135308.db2.gz RGUGCNBEFRNXMQ-KUHUBIRLSA-N 0 3 357.410 2.781 20 5 FFBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000184305116 510250926 /nfs/dbraw/zinc/25/09/26/510250926.db2.gz UDPCABYJVYWQGB-UHFFFAOYSA-N 0 3 360.458 2.905 20 5 FFBDHN CN(C)C1(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000265903999 510292071 /nfs/dbraw/zinc/29/20/71/510292071.db2.gz DWOXPHALEGCVOR-UHFFFAOYSA-N 0 3 357.385 2.563 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)CC[C@@H]1CCCCN1C ZINC000175138538 510500096 /nfs/dbraw/zinc/50/00/96/510500096.db2.gz IXIFYVGHZIQIKA-HNNXBMFYSA-N 0 3 369.487 2.707 20 5 FFBDHN CCc1n[nH]c(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000246483931 510513733 /nfs/dbraw/zinc/51/37/33/510513733.db2.gz LQLQVJSWUHLARN-ZFWWWQNUSA-N 0 3 371.441 2.663 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000178270946 510519605 /nfs/dbraw/zinc/51/96/05/510519605.db2.gz PDJTTXJKZDKIND-UHFFFAOYSA-N 0 3 354.410 2.693 20 5 FFBDHN C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266549322 510652147 /nfs/dbraw/zinc/65/21/47/510652147.db2.gz SVIGGZLYSGGMNA-XHDPSFHLSA-N 0 3 372.347 2.864 20 5 FFBDHN CC(C)(C)OC(=O)CCCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000182179566 510798987 /nfs/dbraw/zinc/79/89/87/510798987.db2.gz ZVAMXULFXFCIIC-AWEZNQCLSA-N 0 3 364.446 2.988 20 5 FFBDHN COc1cccc(N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000185335524 510811984 /nfs/dbraw/zinc/81/19/84/510811984.db2.gz HQKDAJKKIDNYSB-HUUCEWRRSA-N 0 3 363.458 2.929 20 5 FFBDHN CN(C)c1cccc(CN(C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000182218945 510818897 /nfs/dbraw/zinc/81/88/97/510818897.db2.gz ZGBYUTOSMVQMKF-QGZVFWFLSA-N 0 3 359.426 2.533 20 5 FFBDHN C[C@@H]1C[C@H](c2cccnc2)N(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000364527095 510916431 /nfs/dbraw/zinc/91/64/31/510916431.db2.gz JTKUQFOLHOCPEZ-LSBZLQRGSA-N 0 3 357.410 2.813 20 5 FFBDHN CN1CCC[C@]2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000294084659 510950455 /nfs/dbraw/zinc/95/04/55/510950455.db2.gz JVSQXERGWUWWEU-KRWDZBQOSA-N 0 3 351.834 2.735 20 5 FFBDHN Cc1c(-c2cc(CN(C)CCc3cccc([N+](=O)[O-])c3)on2)cnn1C ZINC000282552509 511022813 /nfs/dbraw/zinc/02/28/13/511022813.db2.gz XJJMTPWLVUFBRO-UHFFFAOYSA-N 0 3 355.398 2.966 20 5 FFBDHN Cc1c(CN2CCC(N3CCN(C(C)C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000270961431 511037900 /nfs/dbraw/zinc/03/79/00/511037900.db2.gz VDMIMFXWWIGXSR-UHFFFAOYSA-N 0 3 360.502 2.894 20 5 FFBDHN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1N1CCN(C)CC1 ZINC000364725627 511045116 /nfs/dbraw/zinc/04/51/16/511045116.db2.gz ZXXYXNBCELMKJM-KBXCAEBGSA-N 0 3 366.893 2.706 20 5 FFBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000298087475 511170913 /nfs/dbraw/zinc/17/09/13/511170913.db2.gz ZPCZXYMNLHDZSI-LBPRGKRZSA-N 0 3 366.437 2.602 20 5 FFBDHN COCCCN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000291473997 511211737 /nfs/dbraw/zinc/21/17/37/511211737.db2.gz QSRKQQQQMXKIAB-CMDGGOBGSA-N 0 3 361.442 2.567 20 5 FFBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCC1(CS(C)(=O)=O)CC1 ZINC000271539929 511239588 /nfs/dbraw/zinc/23/95/88/511239588.db2.gz UBNVZBSQDPWWMP-ZDUSSCGKSA-N 0 3 372.512 2.880 20 5 FFBDHN O=C(CCC(=O)N1CC[C@H](CN2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000295017218 511254043 /nfs/dbraw/zinc/25/40/43/511254043.db2.gz QIOYQSIROPKNOT-MRXNPFEDSA-N 0 3 373.453 2.892 20 5 FFBDHN CC(=O)N1CCC[C@@H](CNCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000279911587 511263256 /nfs/dbraw/zinc/26/32/56/511263256.db2.gz WUPBYWJTMNEVGV-LBPRGKRZSA-N 0 3 357.357 2.544 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(c2ccncn2)CC1 ZINC000298453313 511289935 /nfs/dbraw/zinc/28/99/35/511289935.db2.gz RCWFRAUXAIMECS-UHFFFAOYSA-N 0 3 369.425 2.901 20 5 FFBDHN CC(=O)c1ccc(OC[C@@H](O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000271719648 511299853 /nfs/dbraw/zinc/29/98/53/511299853.db2.gz XNLLLXVCXFTWAL-UGSOOPFHSA-N 0 3 358.394 2.888 20 5 FFBDHN CN1CC[C@@]2(CCN(C(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])C2)C1 ZINC000295223220 511327532 /nfs/dbraw/zinc/32/75/32/511327532.db2.gz BHEUAZHFCBKNHB-OAHLLOKOSA-N 0 3 357.332 2.781 20 5 FFBDHN CCOc1ccc([C@@H](C)NC[C@H]2COC3(CCOCC3)O2)cc1[N+](=O)[O-] ZINC000272076479 511423758 /nfs/dbraw/zinc/42/37/58/511423758.db2.gz VSWLLZMVPMTJSR-HIFRSBDPSA-N 0 3 366.414 2.566 20 5 FFBDHN CCC(O)(CC)CNCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272236835 511475277 /nfs/dbraw/zinc/47/52/77/511475277.db2.gz AEUNNOOJEGCOIM-UHFFFAOYSA-N 0 3 362.373 2.888 20 5 FFBDHN CN1CC[C@@]2(CCN(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000292177837 511494292 /nfs/dbraw/zinc/49/42/92/511494292.db2.gz FCFRFFZZVNAQOS-QGZVFWFLSA-N 0 3 366.849 2.528 20 5 FFBDHN O=C(c1ccc([N+](=O)[O-])o1)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000299307722 511586790 /nfs/dbraw/zinc/58/67/90/511586790.db2.gz BPWTZLGOAVACSG-UHFFFAOYSA-N 0 3 355.394 2.851 20 5 FFBDHN C[C@@H](CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N(C)C1CC1 ZINC000280987836 511679241 /nfs/dbraw/zinc/67/92/41/511679241.db2.gz QCJBWLBTPUCELU-ZDUSSCGKSA-N 0 3 354.410 2.869 20 5 FFBDHN CN1CCC(CC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000292697166 511689503 /nfs/dbraw/zinc/68/95/03/511689503.db2.gz CAYFOQWLTYBSEB-UHFFFAOYSA-N 0 3 359.348 2.962 20 5 FFBDHN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC000284360434 511697166 /nfs/dbraw/zinc/69/71/66/511697166.db2.gz KRQLJYHJULPHHC-KRWDZBQOSA-N 0 3 370.457 2.938 20 5 FFBDHN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCN(C3CCOCC3)CC2)c1 ZINC000292813960 511730407 /nfs/dbraw/zinc/73/04/07/511730407.db2.gz NLLMSIQAJXLPER-UHFFFAOYSA-N 0 3 373.375 2.910 20 5 FFBDHN O=C(NC[C@H]1CCCN(Cc2cccs2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000363871243 511820799 /nfs/dbraw/zinc/82/07/99/511820799.db2.gz AQIFNVZBWZQERG-CYBMUJFWSA-N 0 3 360.439 2.693 20 5 FFBDHN Cc1c([C@H](C)N[C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)cccc1[N+](=O)[O-] ZINC000284789360 511869616 /nfs/dbraw/zinc/86/96/16/511869616.db2.gz JLUSXEBVWUVCAD-ZBQZNYHESA-N 0 3 371.441 2.649 20 5 FFBDHN Cc1cc(F)c(NC(=O)N2CC[C@@]3(C2)CCCN(C)C3)cc1[N+](=O)[O-] ZINC000296889509 511938295 /nfs/dbraw/zinc/93/82/95/511938295.db2.gz XAEBJXOJILTJCY-KRWDZBQOSA-N 0 3 350.394 2.992 20 5 FFBDHN CC[NH+](CC)CCOc1ccccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000274931030 511991529 /nfs/dbraw/zinc/99/15/29/511991529.db2.gz BCZDAWMEFUPVNE-UHFFFAOYSA-N 0 3 374.397 2.668 20 5 FFBDHN Cc1ccc([C@@H](CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)N2CCOCC2)o1 ZINC000293609394 512026236 /nfs/dbraw/zinc/02/62/36/512026236.db2.gz GNGJDHXFQCMVHT-KBXCAEBGSA-N 0 3 374.441 2.803 20 5 FFBDHN CN1CCC2(CCCN2C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000367354010 512459804 /nfs/dbraw/zinc/45/98/04/512459804.db2.gz QFPDNXNEBGAYFH-UHFFFAOYSA-N 0 3 372.469 2.895 20 5 FFBDHN CC(C)N1CCN([C@@H]2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000377830022 512471994 /nfs/dbraw/zinc/47/19/94/512471994.db2.gz AFKGEUCTJQCEEJ-QGZVFWFLSA-N 0 3 366.893 2.849 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000373760737 512492712 /nfs/dbraw/zinc/49/27/12/512492712.db2.gz MAZABDGXZMHTLW-CQSZACIVSA-N 0 3 357.414 2.979 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000373760737 512492714 /nfs/dbraw/zinc/49/27/14/512492714.db2.gz MAZABDGXZMHTLW-CQSZACIVSA-N 0 3 357.414 2.979 20 5 FFBDHN Cn1cc([C@H](O)C[C@@H]2CCCN2C/C=C/c2ccccc2[N+](=O)[O-])cn1 ZINC000374258055 512731717 /nfs/dbraw/zinc/73/17/17/512731717.db2.gz ULOBHHVIHUHGCP-ABTXCIMASA-N 0 3 356.426 2.930 20 5 FFBDHN O=C(CCN[C@]1(CO)CCCc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000411679641 512754397 /nfs/dbraw/zinc/75/43/97/512754397.db2.gz VUVMHVBZNXCWLT-FQEVSTJZSA-N 0 3 369.421 2.737 20 5 FFBDHN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@@H](N2CCCC2)C1 ZINC000368032894 512772748 /nfs/dbraw/zinc/77/27/48/512772748.db2.gz ADLHSWKJWOMPPX-CYBMUJFWSA-N 0 3 369.368 2.897 20 5 FFBDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000370162097 512796739 /nfs/dbraw/zinc/79/67/39/512796739.db2.gz NLUHUNMLIITXJN-OAHLLOKOSA-N 0 3 354.410 2.524 20 5 FFBDHN CO[C@H]1c2ccccc2C[C@H]1NCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411889022 512862485 /nfs/dbraw/zinc/86/24/85/512862485.db2.gz BTZSIYHGNIKQDZ-MJGOQNOKSA-N 0 3 355.394 2.825 20 5 FFBDHN CC(C)Oc1cc(C(=O)NC[C@@]2(N(C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000412157515 512980818 /nfs/dbraw/zinc/98/08/18/512980818.db2.gz FRFCOJDHFMLJBA-KRWDZBQOSA-N 0 3 367.471 2.549 20 5 FFBDHN COc1ccc(CNC[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000428553550 513128925 /nfs/dbraw/zinc/12/89/25/513128925.db2.gz XIYOPPCELOHGGD-VQIMIIECSA-N 0 3 360.385 2.998 20 5 FFBDHN CO[C@@H]1C[C@H](N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000439625664 513153449 /nfs/dbraw/zinc/15/34/49/513153449.db2.gz SFSJMYQFPPUVRU-QCZZGDTMSA-N 0 3 355.822 2.978 20 5 FFBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN([C@H]2C[C@H]2C)C[C@H](C)C1 ZINC000428997140 513246834 /nfs/dbraw/zinc/24/68/34/513246834.db2.gz RYVYKWQUXBKSLB-ADAWSYLGSA-N 0 3 360.458 2.584 20 5 FFBDHN C[C@H]1C[C@H]1N1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](C)C1 ZINC000429012248 513251548 /nfs/dbraw/zinc/25/15/48/513251548.db2.gz SVAROROQNREWGK-JKIFEVAISA-N 0 3 371.441 2.807 20 5 FFBDHN O=C(NC[C@H]1CCCCN1C1CC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000434439945 513323455 /nfs/dbraw/zinc/32/34/55/513323455.db2.gz WIBOXUGNHXFZIO-OAHLLOKOSA-N 0 3 369.425 2.527 20 5 FFBDHN CCC1(CC)[C@H](NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1OC ZINC000429299653 513333085 /nfs/dbraw/zinc/33/30/85/513333085.db2.gz ZUHKKCWGIYBDEZ-IAGOWNOFSA-N 0 3 361.442 2.667 20 5 FFBDHN Cn1ccnc1C(=O)c1ccc(NC(C)(C)CN2CCCC2)c([N+](=O)[O-])c1 ZINC000450950182 513421224 /nfs/dbraw/zinc/42/12/24/513421224.db2.gz MJFCGGSXMBUZLI-UHFFFAOYSA-N 0 3 371.441 2.846 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000440928373 513439867 /nfs/dbraw/zinc/43/98/67/513439867.db2.gz YIYQKTJDPIITIT-MDZLAQPJSA-N 0 3 367.833 2.757 20 5 FFBDHN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000441017015 513460314 /nfs/dbraw/zinc/46/03/14/513460314.db2.gz WKDOCOGDMNNWAB-ZTQAJYAQSA-N 0 3 372.421 2.659 20 5 FFBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2cccnc2-n2cccn2)n1 ZINC000447550483 513505617 /nfs/dbraw/zinc/50/56/17/513505617.db2.gz NIICQJXXHWNNRD-HOTGVXAUSA-N 0 3 367.413 2.646 20 5 FFBDHN CN(C(=O)CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000447586945 513515988 /nfs/dbraw/zinc/51/59/88/513515988.db2.gz OEZGNTNSYBAUER-CVEARBPZSA-N 0 3 363.462 2.656 20 5 FFBDHN C[C@H](CN1CCCCC1)Nc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000447807176 513576909 /nfs/dbraw/zinc/57/69/09/513576909.db2.gz QHCFQLMAPRQVRJ-MRXNPFEDSA-N 0 3 362.474 2.713 20 5 FFBDHN CN(C(=O)[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000430306801 513616948 /nfs/dbraw/zinc/61/69/48/513616948.db2.gz XMYRTXPQBCCRGB-INIZCTEOSA-N 0 3 369.421 2.959 20 5 FFBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000451295497 513659635 /nfs/dbraw/zinc/65/96/35/513659635.db2.gz DNSUSYFKQVRWJG-QGTPRVQTSA-N 0 3 364.442 2.744 20 5 FFBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451339621 513686853 /nfs/dbraw/zinc/68/68/53/513686853.db2.gz ILTBNIWGSFOVTH-PILAGYSTSA-N 0 3 361.442 2.937 20 5 FFBDHN Cc1cc(S(=O)(=O)N[C@@H]2CCN(C3CCCC3)C2)c(C)cc1[N+](=O)[O-] ZINC000416395141 513750896 /nfs/dbraw/zinc/75/08/96/513750896.db2.gz YGENDATXTPHBQP-CQSZACIVSA-N 0 3 367.471 2.507 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H](Oc2ccccc2)C1 ZINC000419319163 513774799 /nfs/dbraw/zinc/77/47/99/513774799.db2.gz VPJPSPBYSVWPAL-SJLPKXTDSA-N 0 3 372.421 2.878 20 5 FFBDHN CO[C@]1(C)C[C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000451482196 513777633 /nfs/dbraw/zinc/77/76/33/513777633.db2.gz CJSYFASDFFNSJB-CZUORRHYSA-N 0 3 355.822 2.980 20 5 FFBDHN CC(C)(CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000448583623 513792957 /nfs/dbraw/zinc/79/29/57/513792957.db2.gz VCKJRULGDKPIHJ-UHFFFAOYSA-N 0 3 361.442 2.938 20 5 FFBDHN CC(C)O[C@@H]1C[C@@H](NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC000451503520 513794104 /nfs/dbraw/zinc/79/41/04/513794104.db2.gz QRIFDPGOFGGTJK-IAGOWNOFSA-N 0 3 361.442 2.666 20 5 FFBDHN COc1cc(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000448695986 513849432 /nfs/dbraw/zinc/84/94/32/513849432.db2.gz CKYZXQHPJIUYHN-VXGBXAGGSA-N 0 3 353.394 2.735 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C(C)C)[C@@H](CO)C(C)C ZINC000451595811 513857401 /nfs/dbraw/zinc/85/74/01/513857401.db2.gz KWGKPEXQNPDGLO-YJBOKZPZSA-N 0 3 351.447 2.720 20 5 FFBDHN Cc1cc(C)c(S(=O)(=O)N(C)C(C)(C)CN2CCCC2)cc1[N+](=O)[O-] ZINC000416668075 513898410 /nfs/dbraw/zinc/89/84/10/513898410.db2.gz ZHBCUAFNWVTBKI-UHFFFAOYSA-N 0 3 369.487 2.707 20 5 FFBDHN NC(=O)CCN(CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCOc2ccccc21 ZINC000451711624 513932139 /nfs/dbraw/zinc/93/21/39/513932139.db2.gz MTIYNLYLKISBKW-SFHVURJKSA-N 0 3 369.421 2.839 20 5 FFBDHN CO[C@@H]([C@@H](C)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000414181278 514000468 /nfs/dbraw/zinc/00/04/68/514000468.db2.gz LYDIPUINLURQIN-FCHSOHFDSA-N 0 3 355.822 2.978 20 5 FFBDHN CN(C)C1(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCCCCC1 ZINC000443712674 514026911 /nfs/dbraw/zinc/02/69/11/514026911.db2.gz UMKVRZGVDGCSIL-UHFFFAOYSA-N 0 3 369.487 2.669 20 5 FFBDHN COc1cccc(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000443914244 514069531 /nfs/dbraw/zinc/06/95/31/514069531.db2.gz DYVYPSNIEFNMHY-OAHLLOKOSA-N 0 3 357.410 2.506 20 5 FFBDHN CSCC1CCC(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000449239077 514126551 /nfs/dbraw/zinc/12/65/51/514126551.db2.gz UOYBQFHUKXSISS-UHFFFAOYSA-N 0 3 372.512 2.880 20 5 FFBDHN COc1cc(CN[C@@H](C(C)C)[C@H](CO)C(C)C)c([N+](=O)[O-])cc1OC ZINC000449515516 514235145 /nfs/dbraw/zinc/23/51/45/514235145.db2.gz ZVFRAPRTQRMDEH-KDOFPFPSSA-N 0 3 354.447 2.991 20 5 FFBDHN C[C@]1(F)CNCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000414767404 514282176 /nfs/dbraw/zinc/28/21/76/514282176.db2.gz FZOVRJPVBKNZIK-INIZCTEOSA-N 0 3 350.419 2.852 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000427818028 514323167 /nfs/dbraw/zinc/32/31/67/514323167.db2.gz NVPXYSOCUZXJEF-OAHLLOKOSA-N 0 3 357.410 2.506 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000424033210 514350829 /nfs/dbraw/zinc/35/08/29/514350829.db2.gz XKECNQVORFYIIE-DOTOQJQBSA-N 0 3 357.385 2.918 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1(N(C)C)CCC1 ZINC000438524519 514395319 /nfs/dbraw/zinc/39/53/19/514395319.db2.gz UUNUWXFUSWZOQL-NSHDSACASA-N 0 3 355.822 2.616 20 5 FFBDHN CN(C)C1(CN(C)C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000438618049 514416961 /nfs/dbraw/zinc/41/69/61/514416961.db2.gz IKUQREISOOENCJ-UHFFFAOYSA-N 0 3 371.441 2.552 20 5 FFBDHN Cn1cnc([N+](=O)[O-])c1-c1noc(-c2cccc(CN3CCCC3)c2)n1 ZINC000445571834 514493864 /nfs/dbraw/zinc/49/38/64/514493864.db2.gz OYWVZUGXNRDCRX-UHFFFAOYSA-N 0 3 354.370 2.641 20 5 FFBDHN O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)Nc1ccc([N+](=O)[O-])cc1F ZINC000461112907 514519519 /nfs/dbraw/zinc/51/95/19/514519519.db2.gz NVROVDARCXEFCS-HNNXBMFYSA-N 0 3 374.372 2.945 20 5 FFBDHN COc1c(C(=O)N[C@H](Cc2ccccc2)CN(C)C)cccc1[N+](=O)[O-] ZINC000475027969 514529079 /nfs/dbraw/zinc/52/90/79/514529079.db2.gz JYVRNERXLKMRIW-OAHLLOKOSA-N 0 3 357.410 2.506 20 5 FFBDHN CN(C)CCN(Cc1ccsc1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000458203058 514624704 /nfs/dbraw/zinc/62/47/04/514624704.db2.gz OQDMHRPDWCFWLW-UHFFFAOYSA-N 0 3 351.403 2.999 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1CCCC[C@H]1OC(F)F ZINC000502564687 514696864 /nfs/dbraw/zinc/69/68/64/514696864.db2.gz HQDKZUNIULNWLU-DGCLKSJQSA-N 0 3 357.357 2.982 20 5 FFBDHN COc1ccc(-c2ccc(CNC[C@]3(C)CCC(=O)N3)o2)c([N+](=O)[O-])c1 ZINC000453585048 514704177 /nfs/dbraw/zinc/70/41/77/514704177.db2.gz FUBFOEGDRWYOKC-SFHVURJKSA-N 0 3 359.382 2.622 20 5 FFBDHN COc1ccc(-c2ccc(CN3CC[C@@](C)(C(N)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000475664900 514752303 /nfs/dbraw/zinc/75/23/03/514752303.db2.gz AOVAOQGDYLUFCX-GOSISDBHSA-N 0 3 359.382 2.561 20 5 FFBDHN CCC1(CC)[C@H](N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1OC ZINC000479892749 514763732 /nfs/dbraw/zinc/76/37/32/514763732.db2.gz VFBYXVOEUGXDLD-ZACQAIPSSA-N 0 3 361.442 2.883 20 5 FFBDHN COc1c(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000475900152 514848166 /nfs/dbraw/zinc/84/81/66/514848166.db2.gz OYVCYQJTCYXUMI-CQSZACIVSA-N 0 3 357.410 2.854 20 5 FFBDHN CC[C@H](NC(=O)NC[C@@]1(N(C)C)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000489503324 514874262 /nfs/dbraw/zinc/87/42/62/514874262.db2.gz XZQZQZHMWYSSIE-RDJZCZTQSA-N 0 3 366.487 2.782 20 5 FFBDHN COc1cc(CN[C@@H](C)CC(N)=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000498366300 514882985 /nfs/dbraw/zinc/88/29/85/514882985.db2.gz XNZWSYDQEQUNIM-ZDUSSCGKSA-N 0 3 373.409 2.536 20 5 FFBDHN CC(C)N(CCN(C)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C(C)C ZINC000503272616 514985813 /nfs/dbraw/zinc/98/58/13/514985813.db2.gz APTBUPQNWYHSGK-UHFFFAOYSA-N 0 3 363.505 2.615 20 5 FFBDHN CN(C)CCO[C@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000485415888 515032483 /nfs/dbraw/zinc/03/24/83/515032483.db2.gz MZQPVWGLIJOMBW-INIZCTEOSA-N 0 3 374.416 2.953 20 5 FFBDHN Cc1ccc(C)c(S(=O)(=O)[N-]CC2(C[NH+](C)C)CCCC2)c1[N+](=O)[O-] ZINC000480704134 515051651 /nfs/dbraw/zinc/05/16/51/515051651.db2.gz CPYNBASKSGHDND-UHFFFAOYSA-N 0 3 369.487 2.612 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000467810750 515131401 /nfs/dbraw/zinc/13/14/01/515131401.db2.gz GPHAXUGSZKJVRF-RISCZKNCSA-N 0 3 367.833 2.616 20 5 FFBDHN Cn1c(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000490512225 515234851 /nfs/dbraw/zinc/23/48/51/515234851.db2.gz CBJGNCRPOXSVNJ-IBGZPJMESA-N 0 3 356.426 2.718 20 5 FFBDHN CC[C@@H](C)N1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC1 ZINC000456524588 515236316 /nfs/dbraw/zinc/23/63/16/515236316.db2.gz PTKXEAXBJLDEHH-CYBMUJFWSA-N 0 3 357.414 2.541 20 5 FFBDHN Cn1nc2c(c1CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)CCCC2 ZINC000462807085 515254022 /nfs/dbraw/zinc/25/40/22/515254022.db2.gz LNEZNXCIFUHOFK-CVEARBPZSA-N 0 3 358.446 2.677 20 5 FFBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000468457142 515366114 /nfs/dbraw/zinc/36/61/14/515366114.db2.gz BEAGTLGPMIEZGY-KRWDZBQOSA-N 0 3 371.441 2.631 20 5 FFBDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000491256632 515403587 /nfs/dbraw/zinc/40/35/87/515403587.db2.gz UXOZXQSWEVSFSA-OAHLLOKOSA-N 0 3 366.421 2.979 20 5 FFBDHN Cc1cc(C)c(S(=O)(=O)NCCCN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000491587064 515456618 /nfs/dbraw/zinc/45/66/18/515456618.db2.gz ULYNRQBOLSOWBZ-UHFFFAOYSA-N 0 3 369.487 2.612 20 5 FFBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000468695377 515474957 /nfs/dbraw/zinc/47/49/57/515474957.db2.gz SFIGHURGNOPWPS-UKRRQHHQSA-N 0 3 354.410 2.742 20 5 FFBDHN Cc1ccc([C@@H](CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000463518631 515533264 /nfs/dbraw/zinc/53/32/64/515533264.db2.gz WVXHYFWALSJJKK-LJQANCHMSA-N 0 3 370.453 2.759 20 5 FFBDHN COC(=O)c1cnc(NC[C@H]2CCCCN2CC(C)C)c([N+](=O)[O-])c1 ZINC000477719871 515566847 /nfs/dbraw/zinc/56/68/47/515566847.db2.gz PCOSPXWEMAQTDB-CQSZACIVSA-N 0 3 350.419 2.699 20 5 FFBDHN Cc1cc(C)c(S(=O)(=O)N(C)C2CCN(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000493655855 515654542 /nfs/dbraw/zinc/65/45/42/515654542.db2.gz KPAXYUQAJIUJBL-UHFFFAOYSA-N 0 3 369.487 2.705 20 5 FFBDHN CC(C)N1CC[C@@H](N(C)C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000457116060 515661766 /nfs/dbraw/zinc/66/17/66/515661766.db2.gz LERVPYZZXYSYLH-TZMCWYRMSA-N 0 3 369.849 2.957 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC1CCN(Cc2cccnc2)CC1 ZINC000482513514 515703753 /nfs/dbraw/zinc/70/37/53/515703753.db2.gz SYXAZOROBHAVKQ-UHFFFAOYSA-N 0 3 356.426 2.753 20 5 FFBDHN Cc1ccc(C)c(S(=O)(=O)NCCCN2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000478169056 515723033 /nfs/dbraw/zinc/72/30/33/515723033.db2.gz KZVMPHQGAJWGMJ-OAHLLOKOSA-N 0 3 369.487 2.754 20 5 FFBDHN Cc1c(Br)cc(C(=O)NC(C)(C)CN(C)C)cc1[N+](=O)[O-] ZINC000457213121 515729394 /nfs/dbraw/zinc/72/93/94/515729394.db2.gz UUVQNEHKCKZXNM-UHFFFAOYSA-N 0 3 358.236 2.736 20 5 FFBDHN C[C@@H]1[C@H](NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCCN1C ZINC000454785928 515743042 /nfs/dbraw/zinc/74/30/42/515743042.db2.gz NDKQJPWBFVVXRU-QGPMSJSTSA-N 0 3 360.458 2.967 20 5 FFBDHN Cc1cccc2nc(CN(C)CCc3ccccc3[N+](=O)[O-])cc(=O)n12 ZINC000511136434 515800657 /nfs/dbraw/zinc/80/06/57/515800657.db2.gz AEHKRSKBXALCOQ-UHFFFAOYSA-N 0 3 352.394 2.586 20 5 FFBDHN CC(C)CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)C1CCN(C)CC1 ZINC000464574796 515878924 /nfs/dbraw/zinc/87/89/24/515878924.db2.gz ABQQAEHYLDVMNJ-UHFFFAOYSA-N 0 3 351.422 2.855 20 5 FFBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000469686122 515917663 /nfs/dbraw/zinc/91/76/63/515917663.db2.gz SPTJCYWBMXFCOG-QGZVFWFLSA-N 0 3 371.441 2.690 20 5 FFBDHN COc1cc(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000478718133 515940616 /nfs/dbraw/zinc/94/06/16/515940616.db2.gz AWFLGCMRDCYZSJ-CHWSQXEVSA-N 0 3 365.430 2.605 20 5 FFBDHN CC(C)COCCN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000501028355 515943345 /nfs/dbraw/zinc/94/33/45/515943345.db2.gz IUFJJTZILRHUPT-UHFFFAOYSA-N 0 3 361.446 2.656 20 5 FFBDHN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000460215057 516070200 /nfs/dbraw/zinc/07/02/00/516070200.db2.gz PXTNQDGXPKFQNH-KGLIPLIRSA-N 0 3 358.446 2.792 20 5 FFBDHN CN(C)CCN(Cc1ccco1)c1ncc([N+](=O)[O-])cc1Br ZINC000470080859 516110004 /nfs/dbraw/zinc/11/00/04/516110004.db2.gz KGTIOXFOSULKCP-UHFFFAOYSA-N 0 3 369.219 2.914 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000501490217 516121432 /nfs/dbraw/zinc/12/14/32/516121432.db2.gz JODBIPFOZHJHBQ-QWHCGFSZSA-N 0 3 350.419 2.845 20 5 FFBDHN CCN1CCN([C@H]2CCN(C/C(C)=C/c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000470169870 516159431 /nfs/dbraw/zinc/15/94/31/516159431.db2.gz LFPLDUYDOIDYMO-NXNYUAIASA-N 0 3 358.486 2.710 20 5 FFBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000470203752 516171906 /nfs/dbraw/zinc/17/19/06/516171906.db2.gz FBKSNTAYBSCNBY-GMMCIKNFSA-N 0 3 371.359 2.999 20 5 FFBDHN C[C@H]1CSC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000512204770 516196900 /nfs/dbraw/zinc/19/69/00/516196900.db2.gz VPBSWEDTMZJGQL-QPUJVOFHSA-N 0 3 374.260 2.637 20 5 FFBDHN CN(C)CCOc1cccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1 ZINC000488491759 516239442 /nfs/dbraw/zinc/23/94/42/516239442.db2.gz REMVSOXGHAFVFZ-UHFFFAOYSA-N 0 3 373.365 2.516 20 5 FFBDHN CCCC[C@H](N)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000496221921 516246355 /nfs/dbraw/zinc/24/63/55/516246355.db2.gz LDAPKNSYFWSUCL-NSHDSACASA-N 0 3 362.352 2.659 20 5 FFBDHN O=C(Nc1cccc(CN2CCC(O)CC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000488660582 516283805 /nfs/dbraw/zinc/28/38/05/516283805.db2.gz PFXMDJPDNAPHJM-UHFFFAOYSA-N 0 3 373.384 2.943 20 5 FFBDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000488711719 516291427 /nfs/dbraw/zinc/29/14/27/516291427.db2.gz IEJBHFVBWTXSPM-ZDUSSCGKSA-N 0 3 353.850 2.933 20 5 FFBDHN C[C@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCN(C2CCC2)C1 ZINC000488760717 516302862 /nfs/dbraw/zinc/30/28/62/516302862.db2.gz FGXOLRRXJCPCPH-CYBMUJFWSA-N 0 3 357.414 2.955 20 5 FFBDHN CN1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@H]1Cc1ccccc1 ZINC000557741359 516414195 /nfs/dbraw/zinc/41/41/95/516414195.db2.gz DLRZQEBZCBRDFN-CQSZACIVSA-N 0 3 369.450 2.963 20 5 FFBDHN CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NCc2ccccc2[N+](=O)[O-])s1 ZINC000513087459 516468181 /nfs/dbraw/zinc/46/81/81/516468181.db2.gz AIROSEHPAWLNRV-QWRGUYRKSA-N 0 3 363.443 2.762 20 5 FFBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000558025809 516556764 /nfs/dbraw/zinc/55/67/64/516556764.db2.gz PJABPCLXYPXXEH-ZMSDIMECSA-N 0 3 361.442 2.552 20 5 FFBDHN CN(C)C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000554641495 516562743 /nfs/dbraw/zinc/56/27/43/516562743.db2.gz XRNTVGJJAOLAEX-OAHLLOKOSA-N 0 3 361.373 2.532 20 5 FFBDHN CN1CCN([C@@H](CNCc2cccc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000518249340 516588656 /nfs/dbraw/zinc/58/86/56/516588656.db2.gz BRKRNPUGNBSBIH-KRWDZBQOSA-N 0 3 360.483 2.735 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000531695103 516599322 /nfs/dbraw/zinc/59/93/22/516599322.db2.gz BDVYUQFWSGMKMT-UKRRQHHQSA-N 0 3 374.393 2.722 20 5 FFBDHN C[C@]1(c2ccccc2)CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000544144005 516611685 /nfs/dbraw/zinc/61/16/85/516611685.db2.gz MEFUQULTKIVYCV-PXNSSMCTSA-N 0 3 356.422 2.998 20 5 FFBDHN COc1ccc(CN(C)[C@H](C)CO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000554883903 516679924 /nfs/dbraw/zinc/67/99/24/516679924.db2.gz PTPPGJKAKMLMCL-CQSZACIVSA-N 0 3 360.410 2.995 20 5 FFBDHN CN(c1ccccc1)c1ccc(CNC[C@H]2COCCO2)cc1[N+](=O)[O-] ZINC000513614430 516690110 /nfs/dbraw/zinc/69/01/10/516690110.db2.gz ZRVACAISYNDLFE-KRWDZBQOSA-N 0 3 357.410 2.868 20 5 FFBDHN Cc1nccn1C[C@@H](C)CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000513656237 516708382 /nfs/dbraw/zinc/70/83/82/516708382.db2.gz QVBYEZRUHQTCAT-KSSFIOAISA-N 0 3 368.441 2.849 20 5 FFBDHN C[C@H](CCN1C(=O)c2ccccc2C1=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000513677676 516714808 /nfs/dbraw/zinc/71/48/08/516714808.db2.gz AJWAIMKGXAVCAT-CYBMUJFWSA-N 0 3 353.378 2.759 20 5 FFBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000518596615 516716594 /nfs/dbraw/zinc/71/65/94/516716594.db2.gz GRNLUWOADMWEGW-HUUCEWRRSA-N 0 3 371.441 2.773 20 5 FFBDHN Cc1c(Br)c(N2CCC[C@H]3CN(C)CC[C@@H]32)ncc1[N+](=O)[O-] ZINC000544395002 516740259 /nfs/dbraw/zinc/74/02/59/516740259.db2.gz SXENLPYTDSYSAG-RYUDHWBXSA-N 0 3 369.263 2.981 20 5 FFBDHN O=C(c1ccc(CN2CCCC2)cc1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000555010286 516742661 /nfs/dbraw/zinc/74/26/61/516742661.db2.gz FFKKBLOBSNPECV-UHFFFAOYSA-N 0 3 366.421 2.784 20 5 FFBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@@H](C)C1 ZINC000561762680 516755983 /nfs/dbraw/zinc/75/59/83/516755983.db2.gz PTYKIIXRYKWZSH-AHIWAGSCSA-N 0 3 356.426 2.878 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC(CCN2CCOCC2)CC1 ZINC000513820995 516768859 /nfs/dbraw/zinc/76/88/59/516768859.db2.gz ZYAQVZWZQIILKN-UHFFFAOYSA-N 0 3 363.458 2.538 20 5 FFBDHN COc1ccc(-c2ccc(CN[C@H]3CCC[C@@H](C(N)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000532209710 516859337 /nfs/dbraw/zinc/85/93/37/516859337.db2.gz QVIQTZXQXZFUFV-OLZOCXBDSA-N 0 3 373.409 2.997 20 5 FFBDHN C[C@H](C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000519062488 516871799 /nfs/dbraw/zinc/87/17/99/516871799.db2.gz YXEGNPXYDUZUNO-OAGGEKHMSA-N 0 3 363.458 2.704 20 5 FFBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000548294590 516878963 /nfs/dbraw/zinc/87/89/63/516878963.db2.gz OANDUJOLUDOXCH-IBGZPJMESA-N 0 3 356.426 2.718 20 5 FFBDHN C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cn2)CCCN1Cc1ccccc1 ZINC000548294179 516879883 /nfs/dbraw/zinc/87/98/83/516879883.db2.gz HXUAHERVSQVGCJ-IBGZPJMESA-N 0 3 354.410 2.774 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000525105567 516917957 /nfs/dbraw/zinc/91/79/57/516917957.db2.gz IYQRQKQRTFHKTD-GVXVVHGQSA-N 0 3 355.822 2.614 20 5 FFBDHN COc1ccc(-c2ccc(CNCCNc3cnccn3)o2)c([N+](=O)[O-])c1 ZINC000532373403 516939956 /nfs/dbraw/zinc/93/99/56/516939956.db2.gz DUJSVPCAWJSONK-UHFFFAOYSA-N 0 3 369.381 2.855 20 5 FFBDHN COCCCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000562250831 516985995 /nfs/dbraw/zinc/98/59/95/516985995.db2.gz VRUPIWRJKSVSFK-UHFFFAOYSA-N 0 3 369.849 2.821 20 5 FFBDHN CC(C)(C)OC1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000541350439 517006179 /nfs/dbraw/zinc/00/61/79/517006179.db2.gz ZRDZXTCEQSDANI-AWEZNQCLSA-N 0 3 352.431 2.614 20 5 FFBDHN CCN1CCCC[C@H]1CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000552044175 517046605 /nfs/dbraw/zinc/04/66/05/517046605.db2.gz SYQQNTPYUKSWAT-ROUUACIJSA-N 0 3 357.458 2.882 20 5 FFBDHN CCCN(CCN1CCCCCC1)C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000514888643 517109262 /nfs/dbraw/zinc/10/92/62/517109262.db2.gz VLOOEIWDOMPHFC-UHFFFAOYSA-N 0 3 365.478 2.604 20 5 FFBDHN CS[C@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@H]1N1CCCC1 ZINC000519712412 517142718 /nfs/dbraw/zinc/14/27/18/517142718.db2.gz XXXWSIZSLDWJGQ-SJORKVTESA-N 0 3 362.499 2.885 20 5 FFBDHN CS(=O)(=O)[C@@H]1CCC[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000562603481 517226782 /nfs/dbraw/zinc/22/67/82/517226782.db2.gz LSXVZVLTDZGTGD-LXZKKBNFSA-N 0 3 352.456 2.918 20 5 FFBDHN Cc1c(NC(=O)CCN[C@H](CO)c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000541951845 517307988 /nfs/dbraw/zinc/30/79/88/517307988.db2.gz LUHCIACBAIQEQQ-MRXNPFEDSA-N 0 3 361.373 2.694 20 5 FFBDHN COc1ccc(NC(=O)NCCN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000542032540 517348488 /nfs/dbraw/zinc/34/84/88/517348488.db2.gz OTVIMJUFKHGSQE-UHFFFAOYSA-N 0 3 358.398 2.857 20 5 FFBDHN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(CC(C)C)CC1 ZINC000549085927 517391188 /nfs/dbraw/zinc/39/11/88/517391188.db2.gz CQWGEOZNTNHNCC-UHFFFAOYSA-N 0 3 358.446 2.651 20 5 FFBDHN CCOC(=O)[C@]1(C(C)C)CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000559988718 517519245 /nfs/dbraw/zinc/51/92/45/517519245.db2.gz FQUKQWFYYDZDDJ-GOSISDBHSA-N 0 3 350.415 2.885 20 5 FFBDHN O=C(CNc1ccccc1[N+](=O)[O-])N[C@H](CN1CCCC1)c1ccccc1 ZINC000521533066 517766679 /nfs/dbraw/zinc/76/66/79/517766679.db2.gz JLFFRFHPLOIHLG-GOSISDBHSA-N 0 3 368.437 2.960 20 5 FFBDHN CC1CCN(CCNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000542872416 517791729 /nfs/dbraw/zinc/79/17/29/517791729.db2.gz UXBSLVNQJRGXCP-UHFFFAOYSA-N 0 3 357.357 2.658 20 5 FFBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000516826133 517859062 /nfs/dbraw/zinc/85/90/62/517859062.db2.gz OROYAWHIIAEYGA-ACJLOTCBSA-N 0 3 373.457 2.600 20 5 FFBDHN C[C@H](CNC[C@@H](O)COc1ccccc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000521862582 517878533 /nfs/dbraw/zinc/87/85/33/517878533.db2.gz FRFRDNZXNNWNBN-UKRRQHHQSA-N 0 3 364.373 2.531 20 5 FFBDHN CO[C@@H](C)[C@@H](C)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000517000057 517967336 /nfs/dbraw/zinc/96/73/36/517967336.db2.gz MOEIYLGYBQNYHS-BDAKNGLRSA-N 0 3 364.183 2.712 20 5 FFBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000517411321 518142167 /nfs/dbraw/zinc/14/21/67/518142167.db2.gz ZXCLYMFWDQWRAX-HUUCEWRRSA-N 0 3 363.462 2.569 20 5 FFBDHN Cc1cccc(O[C@@H](C)CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000569687585 518240735 /nfs/dbraw/zinc/24/07/35/518240735.db2.gz XYDGLHTXEFVQTM-JKSUJKDBSA-N 0 3 360.410 2.700 20 5 FFBDHN CCc1ccc(S(=O)(=O)N(C)C(C)(C)CN2CCCC2)cc1[N+](=O)[O-] ZINC000578502391 518241848 /nfs/dbraw/zinc/24/18/48/518241848.db2.gz OKPQQIVHOJKROK-UHFFFAOYSA-N 0 3 369.487 2.652 20 5 FFBDHN CCOC(=O)c1ccnc(N[C@H](C)CN2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000581455829 518292482 /nfs/dbraw/zinc/29/24/82/518292482.db2.gz BJNYQAMCCALFRC-HZSPNIEDSA-N 0 3 364.446 2.945 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000569790592 518292502 /nfs/dbraw/zinc/29/25/02/518292502.db2.gz FCHYGLWDTHCJMB-CVEARBPZSA-N 0 3 353.850 2.981 20 5 FFBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(C)C2(CCCCC2)C1 ZINC000578784647 518372203 /nfs/dbraw/zinc/37/22/03/518372203.db2.gz QTRNDRJKSYNSCC-OAHLLOKOSA-N 0 3 360.458 2.872 20 5 FFBDHN CNc1ccc(C(=O)N[C@@H](CN(C)C)c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000581683485 518406222 /nfs/dbraw/zinc/40/62/22/518406222.db2.gz UAVNVLXWKAROSU-KRWDZBQOSA-N 0 3 372.425 2.678 20 5 FFBDHN CCCCN(C)C[C@H](C)NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000578931954 518441057 /nfs/dbraw/zinc/44/10/57/518441057.db2.gz BMJFCEJAENPIPI-ZDUSSCGKSA-N 0 3 357.476 2.610 20 5 FFBDHN CC(C)c1nc(CCNC[C@H](O)COc2cccc([N+](=O)[O-])c2)cs1 ZINC000576339470 518544853 /nfs/dbraw/zinc/54/48/53/518544853.db2.gz QJBNXEAZIKQMQQ-HNNXBMFYSA-N 0 3 365.455 2.747 20 5 FFBDHN O=[N+]([O-])c1cccc(OCCN(Cc2ccccc2)[C@]2(CO)CCOC2)c1 ZINC000585718387 518573352 /nfs/dbraw/zinc/57/33/52/518573352.db2.gz FXCCDUGGLXPYGS-FQEVSTJZSA-N 0 3 372.421 2.627 20 5 FFBDHN CC(C)OCCN1CCC(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000567556045 518582970 /nfs/dbraw/zinc/58/29/70/518582970.db2.gz RNUAQUBNKMVJSB-HNNXBMFYSA-N 0 3 363.458 2.704 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CCc3c2ccc(Cl)c3Cl)c1 ZINC000576512259 518628177 /nfs/dbraw/zinc/62/81/77/518628177.db2.gz RYAXMVGIGLPXLI-YGRLFVJLSA-N 0 3 371.224 2.736 20 5 FFBDHN CC(C)N1CCCC[C@@H]1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000576558065 518649640 /nfs/dbraw/zinc/64/96/40/518649640.db2.gz VVLCYMOWIPUJFL-GOSISDBHSA-N 0 3 358.442 2.998 20 5 FFBDHN CCc1[n-]nc(C(=O)N(CC[NH+]2CCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000570783732 518775602 /nfs/dbraw/zinc/77/56/02/518775602.db2.gz HHZVAXBDSOANCP-UHFFFAOYSA-N 0 3 357.414 2.623 20 5 FFBDHN CN(CCCN1CCN(C)CC1)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000570992827 518875299 /nfs/dbraw/zinc/87/52/99/518875299.db2.gz CGYNTCTYAZEIGM-UHFFFAOYSA-N 0 3 361.273 2.975 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000582692918 518875547 /nfs/dbraw/zinc/87/55/47/518875547.db2.gz JBKQSPHPUVMBEI-FPOVZHCZSA-N 0 3 369.465 2.876 20 5 FFBDHN CCCN(CCN1CCCC1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000573908604 518893714 /nfs/dbraw/zinc/89/37/14/518893714.db2.gz WQQPTYRPZLXKLE-UHFFFAOYSA-N 0 3 358.442 2.953 20 5 FFBDHN CC(C)N(C)c1ccccc1CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000571199070 518975377 /nfs/dbraw/zinc/97/53/77/518975377.db2.gz PIKFDWKGJXVTGI-KRWDZBQOSA-N 0 3 373.453 2.969 20 5 FFBDHN Cc1ccc(OCCNC[C@H](O)COc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000574074012 518975764 /nfs/dbraw/zinc/97/57/64/518975764.db2.gz FSONQGZTCWMNBJ-INIZCTEOSA-N 0 3 360.410 2.620 20 5 FFBDHN CO[C@@H](C)CCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000589311578 518978179 /nfs/dbraw/zinc/97/81/79/518978179.db2.gz NPWVHIRXNRNHOL-VIFPVBQESA-N 0 3 364.183 2.714 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H]2CCCc3sc(Cl)cc32)c1 ZINC000571433035 519095135 /nfs/dbraw/zinc/09/51/35/519095135.db2.gz OIJRTBWDJTZPFP-JQWIXIFHSA-N 0 3 356.835 2.534 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@H](CO)C1CCCCC1)OCCO2 ZINC000590194581 519169997 /nfs/dbraw/zinc/16/99/97/519169997.db2.gz LVHLTEZAFXELBE-OAHLLOKOSA-N 0 3 350.415 2.644 20 5 FFBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H](C)C1 ZINC000574473716 519172318 /nfs/dbraw/zinc/17/23/18/519172318.db2.gz FZTPMPAMXGDTQG-LXIYXOSZSA-N 0 3 356.426 2.878 20 5 FFBDHN CC1CCN(c2ccc(C(=O)N3CC[C@@H]4CN(C)C[C@@H]43)cc2[N+](=O)[O-])CC1 ZINC000590446584 519235061 /nfs/dbraw/zinc/23/50/61/519235061.db2.gz UWQQAOQUKZOFNY-APWZRJJASA-N 0 3 372.469 2.607 20 5 FFBDHN CCN1CCN(C[C@H](C)CNc2cc(OC)c(C)cc2[N+](=O)[O-])CC1 ZINC000590574666 519271585 /nfs/dbraw/zinc/27/15/85/519271585.db2.gz PVXBGQKSCONEPW-CQSZACIVSA-N 0 3 350.463 2.597 20 5 FFBDHN CC[C@H](C)N[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000583653865 519360117 /nfs/dbraw/zinc/36/01/17/519360117.db2.gz NZXKMVRGDLHWLE-BBRMVZONSA-N 0 3 361.398 2.812 20 5 FFBDHN CS[C@H]1CCC[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000571993729 519385194 /nfs/dbraw/zinc/38/51/94/519385194.db2.gz HKONDNMBBYFMHA-JSGCOSHPSA-N 0 3 358.485 2.632 20 5 FFBDHN O=C(CCN1CC2(CCC2)[C@H]1[C@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000583722170 519398011 /nfs/dbraw/zinc/39/80/11/519398011.db2.gz KUVKKBOEOORSRA-SJLPKXTDSA-N 0 3 359.426 2.957 20 5 FFBDHN Cc1ccnc([C@H]2CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)c1 ZINC000566429318 519487948 /nfs/dbraw/zinc/48/79/48/519487948.db2.gz SNYLECDLDHUMCB-HOTGVXAUSA-N 0 3 357.410 2.527 20 5 FFBDHN CN(C)CCOc1cc(-c2noc(-c3ccccc3[N+](=O)[O-])n2)ccn1 ZINC000581104159 519524125 /nfs/dbraw/zinc/52/41/25/519524125.db2.gz KBDFKPSZEQOHPO-UHFFFAOYSA-N 0 3 355.354 2.647 20 5 FFBDHN CSc1ccc(C(=O)NC[C@H]2NCCc3ccccc32)cc1[N+](=O)[O-] ZINC000584047803 519565928 /nfs/dbraw/zinc/56/59/28/519565928.db2.gz CTZQLVOVPQNPTN-OAHLLOKOSA-N 0 3 357.435 2.934 20 5 FFBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000594417590 519953783 /nfs/dbraw/zinc/95/37/83/519953783.db2.gz CCRYPJQOOHITKG-MAUKXSAKSA-N 0 3 369.425 2.732 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(CCC(=O)OC(C)(C)C)CC1 ZINC000602892663 519954825 /nfs/dbraw/zinc/95/48/25/519954825.db2.gz MHWGXZMYPCFXKR-UHFFFAOYSA-N 0 3 366.462 2.934 20 5 FFBDHN Cc1c(CNC[C@@H](O)COc2cccc3[nH]ccc32)cccc1[N+](=O)[O-] ZINC000591763519 520028846 /nfs/dbraw/zinc/02/88/46/520028846.db2.gz QLOYRLSFLHCVJM-OAHLLOKOSA-N 0 3 355.394 2.914 20 5 FFBDHN CC(=O)c1cccc(OC[C@@H](O)CNCc2cccc([N+](=O)[O-])c2C)c1 ZINC000591763438 520028951 /nfs/dbraw/zinc/02/89/51/520028951.db2.gz COKYVJPQAABRAE-KRWDZBQOSA-N 0 3 358.394 2.635 20 5 FFBDHN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594604057 520049863 /nfs/dbraw/zinc/04/98/63/520049863.db2.gz XRPKZDRUBPUBKI-IEBWSBKVSA-N 0 3 374.485 2.856 20 5 FFBDHN O=C(NC1CC1)c1ccc(N[C@H]2CCCN3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000594604472 520049971 /nfs/dbraw/zinc/04/99/71/520049971.db2.gz ZORZQZBNOXUCOE-DOTOQJQBSA-N 0 3 358.442 2.916 20 5 FFBDHN CCCN1CC[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000600110238 520053447 /nfs/dbraw/zinc/05/34/47/520053447.db2.gz ZERCQOQVXBSRKG-JTQLQIEISA-N 0 3 356.220 2.571 20 5 FFBDHN Cc1cccc(CC2CN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000612677949 520085558 /nfs/dbraw/zinc/08/55/58/520085558.db2.gz MRCCPKFKCDRNTE-IBGZPJMESA-N 0 3 356.422 2.817 20 5 FFBDHN CN(CC(=O)NC[C@@H]1CCN1C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000600229082 520140872 /nfs/dbraw/zinc/14/08/72/520140872.db2.gz OPKRSBYJJYMMPS-INIZCTEOSA-N 0 3 360.458 2.554 20 5 FFBDHN O=[N+]([O-])c1ccccc1CN(CCCn1ccnc1)[C@H]1CC[C@H](O)CC1 ZINC000592133628 520210675 /nfs/dbraw/zinc/21/06/75/520210675.db2.gz ZJUBVIUQMSRVMK-IYARVYRRSA-N 0 3 358.442 2.987 20 5 FFBDHN COc1cc(CN[C@@H](C)CN2CCC(C)CC2)c([N+](=O)[O-])cc1OC ZINC000594979855 520240695 /nfs/dbraw/zinc/24/06/95/520240695.db2.gz MNCJJTGEZUIXLI-AWEZNQCLSA-N 0 3 351.447 2.822 20 5 FFBDHN CN1CCN(Cc2ccccc2)[C@H](CNCc2ccccc2[N+](=O)[O-])C1 ZINC000594993692 520248001 /nfs/dbraw/zinc/24/80/01/520248001.db2.gz HAIXINXQIKPORF-LJQANCHMSA-N 0 3 354.454 2.501 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000595027233 520261571 /nfs/dbraw/zinc/26/15/71/520261571.db2.gz QSXAAFLVZDSKLK-ZIAGYGMSSA-N 0 3 359.430 2.657 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000595027229 520262154 /nfs/dbraw/zinc/26/21/54/520262154.db2.gz QSXAAFLVZDSKLK-KGLIPLIRSA-N 0 3 359.430 2.657 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CCO[C@@H](c2nccn2C)C1 ZINC000595051254 520270830 /nfs/dbraw/zinc/27/08/30/520270830.db2.gz MNEUVBNEFGHJTQ-GDZNZVCISA-N 0 3 360.414 2.908 20 5 FFBDHN Cn1ccnc1[C@H](N[C@@H]1CCN(C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595056351 520271685 /nfs/dbraw/zinc/27/16/85/520271685.db2.gz FOPMTLYOKMYXIM-NVXWUHKLSA-N 0 3 357.458 2.880 20 5 FFBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@H]1CCN1C1CCCC1 ZINC000600473180 520280880 /nfs/dbraw/zinc/28/08/80/520280880.db2.gz SQBXKZJYFYGHMD-MRXNPFEDSA-N 0 3 356.426 2.752 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000609354819 520293415 /nfs/dbraw/zinc/29/34/15/520293415.db2.gz LSFOHGKDQMZRCX-STQMWFEESA-N 0 3 350.419 2.988 20 5 FFBDHN Cn1cc(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597925371 520325957 /nfs/dbraw/zinc/32/59/57/520325957.db2.gz NWKDXRSSBIXABB-CQSZACIVSA-N 0 3 371.441 2.598 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000595256095 520374637 /nfs/dbraw/zinc/37/46/37/520374637.db2.gz AVKZVFTWQGSNGB-QGZVFWFLSA-N 0 3 357.366 2.517 20 5 FFBDHN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000595259101 520377407 /nfs/dbraw/zinc/37/74/07/520377407.db2.gz YDKIAKCCLCRKGF-SFHVURJKSA-N 0 3 355.394 2.827 20 5 FFBDHN CCN1CCN(Cc2ccccc2CNc2cccnc2[N+](=O)[O-])CC1 ZINC000603854256 520379642 /nfs/dbraw/zinc/37/96/42/520379642.db2.gz YKVGTKMCZUREGZ-UHFFFAOYSA-N 0 3 355.442 2.739 20 5 FFBDHN CN(C[C@H]1CCCN(C)C1)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609731665 520416098 /nfs/dbraw/zinc/41/60/98/520416098.db2.gz HOWOVHWYTCSVTD-ZDUSSCGKSA-N 0 3 369.849 2.817 20 5 FFBDHN COc1ccc(CNC(=O)N[C@@H](C)CN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000595446728 520475755 /nfs/dbraw/zinc/47/57/55/520475755.db2.gz DFLYZFWAQDFXDT-AWEZNQCLSA-N 0 3 364.446 2.523 20 5 FFBDHN CCOC(=O)c1ccnc(NC[C@H](C)N2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000609963934 520491254 /nfs/dbraw/zinc/49/12/54/520491254.db2.gz JQVKYJWUSCZYCS-STQMWFEESA-N 0 3 350.419 2.841 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000610121994 520549576 /nfs/dbraw/zinc/54/95/76/520549576.db2.gz KYKRZNULXIGRAT-OAHLLOKOSA-N 0 3 356.426 2.670 20 5 FFBDHN O=C(Nc1ccc(CN2CCC(O)CC2)cc1)c1csc([N+](=O)[O-])c1 ZINC000604539191 520593340 /nfs/dbraw/zinc/59/33/40/520593340.db2.gz WSDHJBAZYDFDDL-UHFFFAOYSA-N 0 3 361.423 2.865 20 5 FFBDHN Cn1cc(C[C@H]2CCC[C@H]2NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cn1 ZINC000595767248 520709457 /nfs/dbraw/zinc/70/94/57/520709457.db2.gz AVVDPCNJAXHVPA-UKRRQHHQSA-N 0 3 354.414 2.706 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000595770870 520713147 /nfs/dbraw/zinc/71/31/47/520713147.db2.gz OBJRPQFMIUHFDB-WBVHZDCISA-N 0 3 371.441 2.576 20 5 FFBDHN O=C1CCCC12CCN(CCCn1c(=O)oc3ccc([N+](=O)[O-])cc31)CC2 ZINC000595818628 520744445 /nfs/dbraw/zinc/74/44/45/520744445.db2.gz RDQPCQAOIHCCKD-UHFFFAOYSA-N 0 3 373.409 2.728 20 5 FFBDHN COc1cc(CN(C)C)ccc1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000601622145 520870429 /nfs/dbraw/zinc/87/04/29/520870429.db2.gz RUNCZPXLEDOWDF-UHFFFAOYSA-N 0 3 361.373 2.985 20 5 FFBDHN COc1cc(CN(C)C)ccc1NC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000601622707 520870518 /nfs/dbraw/zinc/87/05/18/520870518.db2.gz TXHAXBNHLDKPPM-UHFFFAOYSA-N 0 3 359.382 2.926 20 5 FFBDHN NC(=O)c1cc(N[C@@H](CN2CCCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000596071749 520893827 /nfs/dbraw/zinc/89/38/27/520893827.db2.gz VYGOFFVTUWCMAI-KRWDZBQOSA-N 0 3 354.410 2.943 20 5 FFBDHN O=[N+]([O-])c1cccc(Br)c1NCCCN1CCC(O)CC1 ZINC000596085260 520902329 /nfs/dbraw/zinc/90/23/29/520902329.db2.gz LCWBWQILPBJFMW-UHFFFAOYSA-N 0 3 358.236 2.616 20 5 FFBDHN CC[NH+](CC)CCNC(=O)c1ccc(Oc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596127601 520929273 /nfs/dbraw/zinc/92/92/73/520929273.db2.gz BEUIHWKPOPKDLV-UHFFFAOYSA-N 0 3 374.397 2.559 20 5 FFBDHN CN1CCC(n2cc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000601773219 520944429 /nfs/dbraw/zinc/94/44/29/520944429.db2.gz KNPWERPFCFHSLN-UHFFFAOYSA-N 0 3 371.441 2.974 20 5 FFBDHN CCN1CCC[C@@H]1CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000598978005 520955544 /nfs/dbraw/zinc/95/55/44/520955544.db2.gz GHFIVRBBSDTCIW-SNVBAGLBSA-N 0 3 356.220 2.571 20 5 FFBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H](CO)c1ccnn1C ZINC000599054309 521004066 /nfs/dbraw/zinc/00/40/66/521004066.db2.gz JCAOYLVGMFPVJW-QWHCGFSZSA-N 0 3 350.444 2.522 20 5 FFBDHN CCCCN(C)CCNC(=O)c1cccc(Cn2nc([N+](=O)[O-])cc2C)c1 ZINC000593464192 521012059 /nfs/dbraw/zinc/01/20/59/521012059.db2.gz FLTLSLVSZWARSP-UHFFFAOYSA-N 0 3 373.457 2.610 20 5 FFBDHN CC1CCN(CCNC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599070078 521015020 /nfs/dbraw/zinc/01/50/20/521015020.db2.gz KEBOMHFXEKIPHL-UHFFFAOYSA-N 0 3 370.247 2.819 20 5 FFBDHN CC(C)(C)N1CC[C@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000596307338 521020035 /nfs/dbraw/zinc/02/00/35/521020035.db2.gz KSMYNZJPLSYSEM-GFCCVEGCSA-N 0 3 355.460 2.531 20 5 FFBDHN Cc1c([C@H](C)NC[C@@H]2CN(Cc3ccncc3)CCO2)cccc1[N+](=O)[O-] ZINC000599088305 521023722 /nfs/dbraw/zinc/02/37/22/521023722.db2.gz QCEHDAOHFJXAMJ-FUHWJXTLSA-N 0 3 370.453 2.850 20 5 FFBDHN CCC1(N2CCOCC2)CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000599182767 521074730 /nfs/dbraw/zinc/07/47/30/521074730.db2.gz AMKXIUWZKGIJOD-UHFFFAOYSA-N 0 3 360.458 2.644 20 5 FFBDHN Cn1nc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c2ccccc21 ZINC000618575538 521131313 /nfs/dbraw/zinc/13/13/13/521131313.db2.gz PDTGOBHFXKVBNO-PBHICJAKSA-N 0 3 354.414 2.952 20 5 FFBDHN CCCN(C(=O)c1ccnc(OCCN(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000602324809 521282099 /nfs/dbraw/zinc/28/20/99/521282099.db2.gz IDWCJOMGDGKXTQ-UHFFFAOYSA-N 0 3 372.425 2.987 20 5 FFBDHN COC(=O)[C@](C)(NCCN1C[C@H](C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599651154 521361658 /nfs/dbraw/zinc/36/16/58/521361658.db2.gz HLBHHIAMIPDAES-ZRGWGRIASA-N 0 3 363.458 2.551 20 5 FFBDHN CC(C)C(=O)NCCCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602579080 521420732 /nfs/dbraw/zinc/42/07/32/521420732.db2.gz ZDKNTCOXELVCFH-UHFFFAOYSA-N 0 3 364.265 2.671 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCCCc2ccccc2)cc1 ZINC000612028081 521444832 /nfs/dbraw/zinc/44/48/32/521444832.db2.gz CVCVLRRWORJWEX-UHFFFAOYSA-N 0 3 362.451 2.981 20 5 FFBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@@H](CO)c1cccnc1 ZINC000602663088 521466301 /nfs/dbraw/zinc/46/63/01/521466301.db2.gz SYAFJDWPJJMVPR-ZDUSSCGKSA-N 0 3 355.316 2.874 20 5 FFBDHN CCCc1nc(C)c(CNC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)o1 ZINC000602674600 521471878 /nfs/dbraw/zinc/47/18/78/521471878.db2.gz WUYTXCSSMJXPCM-UHFFFAOYSA-N 0 3 359.430 2.997 20 5 FFBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN[C@@H]1CCCN(CCCO)C1 ZINC000602675886 521474331 /nfs/dbraw/zinc/47/43/31/521474331.db2.gz WPBRABFSADBYKG-CQSZACIVSA-N 0 3 361.364 2.550 20 5 FFBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594284314 521537185 /nfs/dbraw/zinc/53/71/85/521537185.db2.gz VQXCHRPTSIPMBW-WMZOPIPTSA-N 0 3 360.458 2.796 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H]1Cn1c(C)nc2ccccc21 ZINC000602795360 521537773 /nfs/dbraw/zinc/53/77/73/521537773.db2.gz MOSONJVRTASLOL-INIZCTEOSA-N 0 3 368.441 2.922 20 5 FFBDHN Cn1cc(CN2C[C@]3(C)COC[C@]3(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597195237 521568403 /nfs/dbraw/zinc/56/84/03/521568403.db2.gz FFZQPFAKMSYPGJ-KDURUIRLSA-N 0 3 356.426 2.854 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](CC)CN1CCCC1 ZINC000619637857 521805831 /nfs/dbraw/zinc/80/58/31/521805831.db2.gz WBKGUCLSUHOCLC-ZDUSSCGKSA-N 0 3 350.419 2.989 20 5 FFBDHN CC(C)N1CCCC[C@H]1CN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000619864428 521909563 /nfs/dbraw/zinc/90/95/63/521909563.db2.gz OZJKWYBURAEOJN-QFBILLFUSA-N 0 3 374.441 2.625 20 5 FFBDHN CC(C)N1CCCC[C@@H]1CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000619863438 521909588 /nfs/dbraw/zinc/90/95/88/521909588.db2.gz FUDKKTIACPVLER-VQIMIIECSA-N 0 3 374.441 2.625 20 5 FFBDHN C[C@@H](NCCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000820419210 599382422 /nfs/dbraw/zinc/38/24/22/599382422.db2.gz FTIQUQRVZJTKQZ-GFCCVEGCSA-N 0 3 354.370 2.505 20 5 FFBDHN O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826500241 608515104 /nfs/dbraw/zinc/51/51/04/608515104.db2.gz PQAXCKOWNPZEQD-KRWDZBQOSA-N 0 3 364.409 2.985 20 5 FFBDHN O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826500241 608515105 /nfs/dbraw/zinc/51/51/05/608515105.db2.gz PQAXCKOWNPZEQD-KRWDZBQOSA-N 0 3 364.409 2.985 20 5 FFBDHN C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824656555 609314413 /nfs/dbraw/zinc/31/44/13/609314413.db2.gz LPPUMYCNBDWLQN-STQMWFEESA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000824656555 609314415 /nfs/dbraw/zinc/31/44/15/609314415.db2.gz LPPUMYCNBDWLQN-STQMWFEESA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824656555 609314416 /nfs/dbraw/zinc/31/44/16/609314416.db2.gz LPPUMYCNBDWLQN-STQMWFEESA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000824656555 609314419 /nfs/dbraw/zinc/31/44/19/609314419.db2.gz LPPUMYCNBDWLQN-STQMWFEESA-N 0 3 371.445 2.840 20 5 FFBDHN O=[N+]([O-])c1c[nH]c2ccc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)nc21 ZINC001164724694 720402497 /nfs/dbraw/zinc/40/24/97/720402497.db2.gz KOCZLXGWUSWNIN-CVEARBPZSA-N 0 3 364.409 2.719 20 5 FFBDHN Cc1ccnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164899726 721521314 /nfs/dbraw/zinc/52/13/14/721521314.db2.gz LYRBLYQERJPRDH-DOTOQJQBSA-N 0 3 372.400 2.779 20 5 FFBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000078800685 728304267 /nfs/dbraw/zinc/30/42/67/728304267.db2.gz VPHAPLULBRHJIZ-CYBMUJFWSA-N 0 3 370.837 2.823 20 5 FFBDHN Cc1nccn1CCCN(C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000130448146 728718038 /nfs/dbraw/zinc/71/80/38/728718038.db2.gz JZFSKLQEFFMFHI-UHFFFAOYSA-N 0 3 365.821 2.714 20 5 FFBDHN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCc2cnccc21 ZINC000175006247 729084645 /nfs/dbraw/zinc/08/46/45/729084645.db2.gz KYVQVIZSUGIGOB-UHFFFAOYSA-N 0 3 355.322 2.680 20 5 FFBDHN COc1cc(CNC2CCOCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000195422193 729537896 /nfs/dbraw/zinc/53/78/96/729537896.db2.gz ZSMVJEQFDBHRII-UHFFFAOYSA-N 0 3 364.320 2.813 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCN1CCC(C)CC1 ZINC000195716365 729541197 /nfs/dbraw/zinc/54/11/97/729541197.db2.gz MGQXTTHFHGUHBU-UHFFFAOYSA-N 0 3 369.487 2.558 20 5 FFBDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000857634725 730403284 /nfs/dbraw/zinc/40/32/84/730403284.db2.gz MISRELFAPSDUQA-NSHDSACASA-N 0 3 370.247 2.960 20 5 FFBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1C[C@@H](O)C12CCOCC2 ZINC000927155771 738698112 /nfs/dbraw/zinc/69/81/12/738698112.db2.gz XJBQTCNMHFZXIR-KNXALSJPSA-N 0 3 352.456 2.897 20 5 FFBDHN CCN(CC)C[C@@H](C)Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000731991018 734711016 /nfs/dbraw/zinc/71/10/16/734711016.db2.gz NBXXFHPLZQLKPI-SNVBAGLBSA-N 0 3 365.402 2.733 20 5 FFBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000894048514 734793031 /nfs/dbraw/zinc/79/30/31/734793031.db2.gz ZGGTVGPRGYJEQO-GJZGRUSLSA-N 0 3 366.849 2.669 20 5 FFBDHN CN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCCN(C)C1 ZINC000929832134 739026408 /nfs/dbraw/zinc/02/64/08/739026408.db2.gz AUKFFWSUWKODAI-NSHDSACASA-N 0 3 358.345 2.754 20 5 FFBDHN CS[C@@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000804622368 740889777 /nfs/dbraw/zinc/88/97/77/740889777.db2.gz CMIKXFHFUMPQPD-ZIAGYGMSSA-N 0 3 352.416 2.519 20 5 FFBDHN CN(C)Cc1cnc(CNCCc2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000808453142 741226924 /nfs/dbraw/zinc/22/69/24/741226924.db2.gz XHMQYKUOCJMTAG-UHFFFAOYSA-N 0 3 359.455 2.927 20 5 FFBDHN CC(COC(=O)c1cnn(-c2ncccc2Cl)c1C(F)F)[N+](=O)[O-] ZINC000813108530 741677917 /nfs/dbraw/zinc/67/79/17/741677917.db2.gz ZMLJKCOHPROKES-SSDOTTSWSA-N 0 3 360.704 2.680 20 5 FFBDHN Cc1cc(Cl)c(C(=O)N(CCN(C)C)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000826047763 743361430 /nfs/dbraw/zinc/36/14/30/743361430.db2.gz OOTGELZQUVEBKO-CYBMUJFWSA-N 0 3 369.849 2.739 20 5 FFBDHN CC(C)OCCOC1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000832494638 745707686 /nfs/dbraw/zinc/70/76/86/745707686.db2.gz RWQQYNCJTGGVTJ-SFHVURJKSA-N 0 3 352.431 2.534 20 5 FFBDHN CC[C@@H](C(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)N(C)C ZINC000840526937 747116473 /nfs/dbraw/zinc/11/64/73/747116473.db2.gz KTLZDUGXPSGYSM-JOYOIKCWSA-N 0 3 351.300 2.794 20 5 FFBDHN Cc1cc([C@@H](N)CC(=O)N2CCc3c2cccc3[N+](=O)[O-])cc(Cl)n1 ZINC000843440287 747837664 /nfs/dbraw/zinc/83/76/64/747837664.db2.gz SLHOVSFEUKHXRG-ZDUSSCGKSA-N 0 3 360.801 2.931 20 5 FFBDHN CC([C@@H](OC(=O)[C@H](C)NC(=O)C(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845873080 748340848 /nfs/dbraw/zinc/34/08/48/748340848.db2.gz RNTJZUIMINYMDD-MISXGVKJSA-N 0 3 354.378 2.626 20 5 FFBDHN CC(C)NC(=O)CCCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873989 748341453 /nfs/dbraw/zinc/34/14/53/748341453.db2.gz GGCXQHDAPWQFEG-YVEFUNNKSA-N 0 3 354.378 2.770 20 5 FFBDHN CCN(CC)C(=O)CCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845875913 748342249 /nfs/dbraw/zinc/34/22/49/748342249.db2.gz LUOGXQLMWFFINC-PXAZEXFGSA-N 0 3 354.378 2.724 20 5 FFBDHN Nc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1[N+](=O)[O-] ZINC000010050374 1013315705 /nfs/dbraw/zinc/31/57/05/1013315705.db2.gz NADNBKSEOLTZGT-SFHVURJKSA-N 0 3 354.410 2.744 20 5 FFBDHN O=C(CCN1C[C@@H]2C[C@H]1CN2c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC001175725187 1013544417 /nfs/dbraw/zinc/54/44/17/1013544417.db2.gz VHWJXCXVNNKJJZ-OALUTQOASA-N 0 3 366.421 2.887 20 5 FFBDHN COC1CCN(C(C)(C)CNC(=O)c2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000874443573 1013837422 /nfs/dbraw/zinc/83/74/22/1013837422.db2.gz OCJRAFZMXUWHCW-UHFFFAOYSA-N 0 3 363.458 2.831 20 5 FFBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000874845395 1013916172 /nfs/dbraw/zinc/91/61/72/1013916172.db2.gz GGJZLLIUHJJPMO-AEFFLSMTSA-N 0 3 372.469 2.506 20 5 FFBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000874850090 1013917659 /nfs/dbraw/zinc/91/76/59/1013917659.db2.gz NVRIIWQFORTVQY-DOTOQJQBSA-N 0 3 358.442 2.504 20 5 FFBDHN CN(C)[C@@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000126320273 978358789 /nfs/dbraw/zinc/35/87/89/978358789.db2.gz MZMCSINMQBAYQB-SFHVURJKSA-N 0 3 356.426 2.739 20 5 FFBDHN COC(=O)COc1ccc(CNC[C@@H]2CCCC(C)(C)O2)cc1[N+](=O)[O-] ZINC000898049019 982588214 /nfs/dbraw/zinc/58/82/14/982588214.db2.gz UQFOBXSJDQTVGP-AWEZNQCLSA-N 0 3 366.414 2.584 20 5 FFBDHN Cc1cc(F)cc(C(=O)NC2CCN(CCOC(C)C)CC2)c1[N+](=O)[O-] ZINC000151207688 984210977 /nfs/dbraw/zinc/21/09/77/984210977.db2.gz PQVZSEXZMPOJQC-UHFFFAOYSA-N 0 3 367.421 2.662 20 5 FFBDHN CC(C)(C)OC(=O)NC[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000170647469 985104383 /nfs/dbraw/zinc/10/43/83/985104383.db2.gz UNNQNMXZGLZCKG-AWEZNQCLSA-N 0 3 365.430 2.820 20 5 FFBDHN CC[C@H](NCc1ccc(N2CCN(C)CC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000130504821 987370216 /nfs/dbraw/zinc/37/02/16/987370216.db2.gz OOERUPSOCYESIJ-IBGZPJMESA-N 0 3 369.469 2.983 20 5 FFBDHN CN(C)CCN(CCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000917674152 990258957 /nfs/dbraw/zinc/25/89/57/990258957.db2.gz RUJNBMFJZJPZSI-UHFFFAOYSA-N 0 3 359.401 2.980 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2ccc(CN[C@@H]3C[C@H](O)C34CCOCC4)o2)c1 ZINC000923017381 990795045 /nfs/dbraw/zinc/79/50/45/990795045.db2.gz AQLPMMLAIMIJAH-MSOLQXFVSA-N 0 3 358.394 2.874 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2ccc(CN[C@H]3C[C@H](O)C34CCOCC4)o2)c1 ZINC000923017383 990795170 /nfs/dbraw/zinc/79/51/70/990795170.db2.gz AQLPMMLAIMIJAH-ROUUACIJSA-N 0 3 358.394 2.874 20 5 FFBDHN CC1CCN(c2ccc(C(=O)N3CCN4CCC[C@H]4C3)cc2[N+](=O)[O-])CC1 ZINC000195316893 990842553 /nfs/dbraw/zinc/84/25/53/990842553.db2.gz HHJPUWICFAGXNF-KRWDZBQOSA-N 0 3 372.469 2.751 20 5 FFBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000923315642 991058020 /nfs/dbraw/zinc/05/80/20/991058020.db2.gz LUAIYSDCCMDGKQ-JKSUJKDBSA-N 0 3 358.442 2.504 20 5 FFBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@H](c2nccs2)C1 ZINC000880319455 1015806405 /nfs/dbraw/zinc/80/64/05/1015806405.db2.gz GWKGZGTZWXZIOD-LBPRGKRZSA-N 0 3 374.422 2.839 20 5 FFBDHN O=[N+]([O-])c1ccc2[nH]cc(CCNCc3ncc(C4OCCO4)s3)c2c1 ZINC000809792217 994612412 /nfs/dbraw/zinc/61/24/12/994612412.db2.gz MOILZTINAHEBLZ-UHFFFAOYSA-N 0 3 374.422 2.910 20 5 FFBDHN Nc1ccc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000823987331 996773218 /nfs/dbraw/zinc/77/32/18/996773218.db2.gz PWZKBVFOEMQMQE-MRXNPFEDSA-N 0 3 369.425 2.963 20 5 FFBDHN Nc1ccc(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000823993522 996773569 /nfs/dbraw/zinc/77/35/69/996773569.db2.gz GZVSGYWELHXKBG-MRXNPFEDSA-N 0 3 369.425 2.963 20 5 FFBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000843889496 997482214 /nfs/dbraw/zinc/48/22/14/997482214.db2.gz CIKRYJCSBRCLAY-HNNXBMFYSA-N 0 3 373.384 2.861 20 5 FFBDHN Cc1c([N+](=O)[O-])cc(C(=O)NCCN2[C@H](C)CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000730841966 997514812 /nfs/dbraw/zinc/51/48/12/997514812.db2.gz UMGURQGRIHBDEO-VXGBXAGGSA-N 0 3 364.402 2.804 20 5 FFBDHN CC([C@@H](OC(=O)CO[C@@H](C)c1nccn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845884099 998678586 /nfs/dbraw/zinc/67/85/86/998678586.db2.gz XKTZAVMGCQIBGG-BFQNTYOBSA-N 0 3 365.361 2.587 20 5 FFBDHN CS(=O)(=O)c1cccc(C2CCN([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169054839 1000018936 /nfs/dbraw/zinc/01/89/36/1000018936.db2.gz NTKKTSPJOGZQLA-YOEHRIQHSA-N 0 3 366.483 2.715 20 5 FFBDHN COC(=O)COc1cccc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000788643799 1001830662 /nfs/dbraw/zinc/83/06/62/1001830662.db2.gz LGKSIXJOGQPHNW-LBPRGKRZSA-N 0 3 359.382 2.580 20 5 FFBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000791299601 1002637908 /nfs/dbraw/zinc/63/79/08/1002637908.db2.gz CHQSHIBDXWVZKO-GOSISDBHSA-N 0 3 372.400 2.883 20 5 FFBDHN COc1ccc(OC(=O)C2CCN(c3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000792122880 1002930434 /nfs/dbraw/zinc/93/04/34/1002930434.db2.gz CGUFPPOQOZYZTL-AWEZNQCLSA-N 0 3 374.324 2.701 20 5 FFBDHN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1C[C@H](N2CCCC2)C[C@H]1C ZINC000804812903 1003860117 /nfs/dbraw/zinc/86/01/17/1003860117.db2.gz MKQZDQKRGJVWIW-TZMCWYRMSA-N 0 3 365.405 2.974 20 5 FFBDHN CC(C)(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)NCC1CCCCC1 ZINC000776597386 1006041282 /nfs/dbraw/zinc/04/12/82/1006041282.db2.gz KNJNNDGVOOKNKD-QGZVFWFLSA-N 0 3 363.458 2.693 20 5 FFBDHN COc1cc(Cc2noc(C[C@H]3NCc4ccccc43)n2)ccc1[N+](=O)[O-] ZINC000854142626 1006704075 /nfs/dbraw/zinc/70/40/75/1006704075.db2.gz UPZUGVNGERRWIS-OAHLLOKOSA-N 0 3 366.377 2.964 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](O)CNCc2ccc(OCC(F)(F)F)nc2)c1 ZINC000818957369 1007994842 /nfs/dbraw/zinc/99/48/42/1007994842.db2.gz UYGIGPPRUSTTQU-CQSZACIVSA-N 0 3 371.315 2.754 20 5 FFBDHN Cc1ccc([C@H](C)NC[C@@H](O)CN(C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000819135807 1008039507 /nfs/dbraw/zinc/03/95/07/1008039507.db2.gz FYICECFRKXAFOE-DZGCQCFKSA-N 0 3 367.446 2.782 20 5 FFBDHN CCOCCn1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cn1 ZINC000857035549 1008043905 /nfs/dbraw/zinc/04/39/05/1008043905.db2.gz HXTISMOQOIUNER-WBMJQRKESA-N 0 3 365.361 2.622 20 5 FFBDHN Cc1ccc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)c(O[C@H]2CCOC2)c1 ZINC000819153524 1008045277 /nfs/dbraw/zinc/04/52/77/1008045277.db2.gz HCRUHTNUSTXBAB-OALUTQOASA-N 0 3 372.421 2.894 20 5 FFBDHN Cc1ccc(O[C@H]2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)nc1 ZINC000858041144 1008286667 /nfs/dbraw/zinc/28/66/67/1008286667.db2.gz IAURLDABLNMSTM-HNNXBMFYSA-N 0 3 370.409 2.780 20 5 FFBDHN C[C@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CCN1C1CCCC1 ZINC001177708399 1008724715 /nfs/dbraw/zinc/72/47/15/1008724715.db2.gz PAZLSWXBKVZDHT-HNNXBMFYSA-N 0 3 361.442 2.839 20 5 FFBDHN CN1CCN(C2CCN(c3ccc(C(F)(F)F)c([N+](=O)[O-])c3)CC2)CC1 ZINC000866212975 1010952948 /nfs/dbraw/zinc/95/29/48/1010952948.db2.gz LVKZBSLGZCHVIA-UHFFFAOYSA-N 0 3 372.391 2.830 20 5 FFBDHN CN(C)C[C@@H](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000868346582 1011258621 /nfs/dbraw/zinc/25/86/21/1011258621.db2.gz FCWBKDMLYMYOOM-MRXNPFEDSA-N 0 3 363.364 2.835 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCN(CC3CC3)CC2)c1F ZINC001173190969 1012332219 /nfs/dbraw/zinc/33/22/19/1012332219.db2.gz YORMTAHIBDCBIW-ZDUSSCGKSA-N 0 3 351.422 2.701 20 5 FFBDHN COC(=O)CC[C@H]1CCN([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173195486 1012337525 /nfs/dbraw/zinc/33/75/25/1012337525.db2.gz GTSNHUMKQJZTJC-OLZOCXBDSA-N 0 3 368.405 2.949 20 5 FFBDHN CN1CCN(CC2CN(C(=O)c3cc4ccccc4c4cccnc34)C2)CC1 ZINC000647825538 1012600926 /nfs/dbraw/zinc/60/09/26/1012600926.db2.gz ZVBNRFAKABCCBW-UHFFFAOYSA-N 0 3 374.488 2.707 20 5 FFBDHN C[C@H]1[C@H](NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CCN1C ZINC000928436244 1018978940 /nfs/dbraw/zinc/97/89/40/1018978940.db2.gz BDTMIPRRJYZQNH-KBXCAEBGSA-N 0 3 369.421 2.996 20 5 FFBDHN CN(C(=O)CN[C@@H]1CCc2ccccc2OC1)c1ccc([N+](=O)[O-])cc1 ZINC000801571448 1019126930 /nfs/dbraw/zinc/12/69/30/1019126930.db2.gz TUPRTQZWIUENIE-OAHLLOKOSA-N 0 3 355.394 2.541 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCCN2CCN(CCc3ccncc3)CC2)cc1 ZINC000931338249 1020429837 /nfs/dbraw/zinc/42/98/37/1020429837.db2.gz HGELCYGXOZXWMD-UHFFFAOYSA-N 0 3 370.453 2.619 20 5 FFBDHN O=C1CN(CN2CCC[C@@H]2C2CCCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000726587526 1020490255 /nfs/dbraw/zinc/49/02/55/1020490255.db2.gz SGEOECGKAWNWOF-QGZVFWFLSA-N 0 3 372.425 2.976 20 5 FFBDHN CCOc1cc(CN2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)ccc1[N+](=O)[O-] ZINC000932018129 1020669013 /nfs/dbraw/zinc/66/90/13/1020669013.db2.gz ACKAJDCFKUINGD-RDTXWAMCSA-N 0 3 363.414 2.704 20 5 FFBDHN CN(Cc1ccc(C(=O)NC2CC2)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749670799 1021018916 /nfs/dbraw/zinc/01/89/16/1021018916.db2.gz LNXPNXCULRMHFW-LJQANCHMSA-N 0 3 369.421 2.652 20 5 FFBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000191663498 1023889757 /nfs/dbraw/zinc/88/97/57/1023889757.db2.gz NUKGEZFAKAHBBW-INIZCTEOSA-N 0 3 354.410 2.571 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2ncn(CN3CCCC[C@@H]3[C@H]3CCC[C@H]3O)n2)c1 ZINC000840114436 1026961666 /nfs/dbraw/zinc/96/16/66/1026961666.db2.gz IDYXXGVHKPOWCI-KZNAEPCWSA-N 0 3 371.441 2.826 20 5 FFBDHN C[C@@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000780763775 1028798268 /nfs/dbraw/zinc/79/82/68/1028798268.db2.gz OETHTRVLMBGZPI-MAUKXSAKSA-N 0 3 357.458 2.882 20 5 FFBDHN C[C@@H]1[C@@H](NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CCN1C ZINC001155894203 1028963226 /nfs/dbraw/zinc/96/32/26/1028963226.db2.gz SHDSLIHJCBPEPE-DLTWYDFYSA-N 0 3 374.485 2.900 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1NCc1ccc(CN3CCOCC3)cc1)CNC2 ZINC001165384547 1029964024 /nfs/dbraw/zinc/96/40/24/1029964024.db2.gz MFFGTCJCCFSMQM-UHFFFAOYSA-N 0 3 368.437 2.642 20 5 FFBDHN C/C(=C/C(=O)N1CCN(CC2CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000784013871 1030417650 /nfs/dbraw/zinc/41/76/50/1030417650.db2.gz PNAONCYRAPAENK-PEZBUJJGSA-N 0 3 373.453 2.569 20 5 FFBDHN CN(C)[C@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000842511836 1030773598 /nfs/dbraw/zinc/77/35/98/1030773598.db2.gz CXBMYZPOVRHZQJ-XGCMIMOYSA-N 0 3 353.422 2.897 20 5 FFBDHN COC(=O)c1cccc2[n-]c([C@@](F)(Cl)O[C@@H](C)C[N+](C)(C)C)nc21 ZINC001223402746 1033428586 /nfs/dbraw/zinc/42/85/86/1033428586.db2.gz HDPKBOWWQBHCAB-QFYYESIMSA-O 0 3 358.821 2.779 20 5 FFBDHN COC(=O)c1cccc2nc([C@@](F)(Cl)O[C@@H](C)C[N+](C)(C)C)[n-]c21 ZINC001223402746 1033428590 /nfs/dbraw/zinc/42/85/90/1033428590.db2.gz HDPKBOWWQBHCAB-QFYYESIMSA-O 0 3 358.821 2.779 20 5 FFBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000831563142 1034125529 /nfs/dbraw/zinc/12/55/29/1034125529.db2.gz KTBWLYMTUQILBV-KWCYVHTRSA-N 0 3 371.359 2.998 20 5 FFBDHN O=c1cc(O[C@H]2CC[C@@H](N3CCOCC3)CC2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC001227221213 1034973943 /nfs/dbraw/zinc/97/39/43/1034973943.db2.gz PUKWHHIQQMZADX-OTVXOJSOSA-N 0 3 373.409 2.871 20 5 FFBDHN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NC[C@H]1CCCCN1C1CC1 ZINC001140097021 1035340890 /nfs/dbraw/zinc/34/08/90/1035340890.db2.gz HVLSXAPBNOSLQG-CQSZACIVSA-N 0 3 351.834 2.924 20 5 FFBDHN O=c1ccc2[n+]([O-])c3ccc(OC4CCN(C5CC5)CC4)cc3oc-2c1 ZINC001227448586 1035557403 /nfs/dbraw/zinc/55/74/03/1035557403.db2.gz GXTUFPHRGVVKRK-UHFFFAOYSA-N 0 3 352.390 2.537 20 5 FFBDHN CC(=O)Nc1cc(O[C@@H]2C[C@H]3CC[C@@H](C2)N3C)c(C(C)=O)cc1[N+](=O)[O-] ZINC001229130687 1036512750 /nfs/dbraw/zinc/51/27/50/1036512750.db2.gz SNYFEOVLCJJXIC-BTTYYORXSA-N 0 3 361.398 2.760 20 5 FFBDHN CN(C)[C@H](CNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC001538902950 1070513417 /nfs/dbraw/zinc/51/34/17/1070513417.db2.gz KHLVJQLZDYCCEL-OAHLLOKOSA-N 0 3 362.817 2.863 20 5 FFBDHN CN1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001313376430 1044338177 /nfs/dbraw/zinc/33/81/77/1044338177.db2.gz PORJMMRTUKBVMV-SJLPKXTDSA-N 0 3 360.458 2.968 20 5 FFBDHN COc1ccc(C[C@H](C)N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC001319315928 1045108016 /nfs/dbraw/zinc/10/80/16/1045108016.db2.gz SIISTEIJNOOBJV-ZDUSSCGKSA-N 0 3 357.410 2.765 20 5 FFBDHN Cc1c(Br)c(N2CCCN3CCC[C@H]3C2)ncc1[N+](=O)[O-] ZINC001323791887 1045727285 /nfs/dbraw/zinc/72/72/85/1045727285.db2.gz DBODYJVYUSNMGH-NSHDSACASA-N 0 3 355.236 2.735 20 5 FFBDHN Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC001540337888 1070851534 /nfs/dbraw/zinc/85/15/34/1070851534.db2.gz HJCMUDDWLLTJGO-GOSISDBHSA-N 0 3 354.410 2.744 20 5 FFBDHN CO[C@](C)(CO)CNCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001326795782 1047093176 /nfs/dbraw/zinc/09/31/76/1047093176.db2.gz JUTBJRYCKRFDSQ-INIZCTEOSA-N 0 3 354.790 2.995 20 5 FFBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC001540449403 1070891229 /nfs/dbraw/zinc/89/12/29/1070891229.db2.gz MXYXUVRPOCGTFF-MRXNPFEDSA-N 0 3 371.437 2.896 20 5 FFBDHN O=[N+]([O-])c1cnn(C2CC(NCc3cccc(OCC(F)(F)F)n3)C2)c1 ZINC001331729453 1048083923 /nfs/dbraw/zinc/08/39/23/1048083923.db2.gz WKONJEZAJULUNF-UHFFFAOYSA-N 0 3 371.319 2.621 20 5 FFBDHN O=[N+]([O-])c1cnc(N2CCC(CN3CCOCC3)CC2)c2ccccc21 ZINC001332198498 1048297553 /nfs/dbraw/zinc/29/75/53/1048297553.db2.gz YELXCJKZRSYGNZ-UHFFFAOYSA-N 0 3 356.426 2.692 20 5 FFBDHN Cn1c([C@@H]2CCCN(C)C2)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001339720703 1050152301 /nfs/dbraw/zinc/15/23/01/1050152301.db2.gz JGZNIDNFYZNZRO-OAHLLOKOSA-N 0 3 370.457 2.702 20 5 FFBDHN CCC(CC)Nc1ccncc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001298607933 1050489003 /nfs/dbraw/zinc/48/90/03/1050489003.db2.gz CVSJUUZCVFEKKX-UHFFFAOYSA-N 0 3 372.381 2.993 20 5 FFBDHN CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001342656722 1051265521 /nfs/dbraw/zinc/26/55/21/1051265521.db2.gz BIJVJZGWJIXKTK-OAHLLOKOSA-N 0 3 372.473 2.737 20 5 FFBDHN Cc1ccc(CN2CCCN(c3ccc4ncc([N+](=O)[O-])n4n3)CC2)cc1 ZINC001341473553 1051828811 /nfs/dbraw/zinc/82/88/11/1051828811.db2.gz IHUFGWDOQMDWPT-UHFFFAOYSA-N 0 3 366.425 2.658 20 5 FFBDHN O=[N+]([O-])c1cc2c(nc1N1CCN[C@@H](c3ccc(O)cc3)C1)CCCC2 ZINC001307201928 1052266578 /nfs/dbraw/zinc/26/65/78/1052266578.db2.gz RKVFQSIJLYLGPD-QGZVFWFLSA-N 0 3 354.410 2.725 20 5 FFBDHN COc1c(O)ccc(CNC[C@]2(CO)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC001308793425 1052499760 /nfs/dbraw/zinc/49/97/60/1052499760.db2.gz SKBWPAVWXYAACL-BEFAXECRSA-N 0 3 358.394 2.565 20 5 FFBDHN COc1c(O)ccc(CNC[C@@]2(CO)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC001308793427 1052499981 /nfs/dbraw/zinc/49/99/81/1052499981.db2.gz SKBWPAVWXYAACL-HNAYVOBHSA-N 0 3 358.394 2.565 20 5 FFBDHN Cc1nccn1CCCN(C)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848482750 1060122119 /nfs/dbraw/zinc/12/21/19/1060122119.db2.gz RTQUYPZVUMLFCU-UHFFFAOYSA-N 0 3 354.414 2.943 20 5 FFBDHN O=C(COC(=O)[C@@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000848774850 1060661804 /nfs/dbraw/zinc/66/18/04/1060661804.db2.gz NYFDKYZYOLVAQR-QGZVFWFLSA-N 0 3 368.389 2.843 20 5 FFBDHN Cc1c(CO)cc([N+](=O)[O-])c(N[C@@H]2CCCN3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000848783913 1060689862 /nfs/dbraw/zinc/68/98/62/1060689862.db2.gz GKAJAKWLSTVLHX-KGLIPLIRSA-N 0 3 364.402 2.733 20 5 FFBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC001476666327 1061455260 /nfs/dbraw/zinc/45/52/60/1061455260.db2.gz XTRCBDFNPSBJMH-GFCCVEGCSA-N 0 3 370.837 2.525 20 5 FFBDHN COc1c([O-])ccc(C[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)c1[N+](=O)[O-] ZINC001462397872 1061607788 /nfs/dbraw/zinc/60/77/88/1061607788.db2.gz CKFYTYYIWITVRV-ZBFHGGJFSA-N 0 3 359.382 2.714 20 5 FFBDHN CC(C)(C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)N1CCCCC1 ZINC001464212268 1062484269 /nfs/dbraw/zinc/48/42/69/1062484269.db2.gz MXLOCUFXLCLHBD-UHFFFAOYSA-N 0 3 360.458 2.508 20 5 FFBDHN C[C@@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCN(C2CC2)C1 ZINC001468522754 1063999870 /nfs/dbraw/zinc/99/98/70/1063999870.db2.gz OJIUODUOSRKDCY-HNNXBMFYSA-N 0 3 357.454 2.959 20 5 FFBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@H]3COC4(CCCCC4)O3)CC2)n1 ZINC001473442245 1065262770 /nfs/dbraw/zinc/26/27/70/1065262770.db2.gz ZZRHTDJQPMWQBF-HNNXBMFYSA-N 0 3 350.419 2.504 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NCc1c(Br)cccc1[N+](=O)[O-] ZINC001474060810 1065449093 /nfs/dbraw/zinc/44/90/93/1065449093.db2.gz BJPMDCKOBHMODW-YGRLFVJLSA-N 0 3 354.248 2.930 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](C1CCCCC1)N(C)C ZINC001474824866 1065618253 /nfs/dbraw/zinc/61/82/53/1065618253.db2.gz MARMLBCCIYNYDM-INIZCTEOSA-N 0 3 369.487 2.692 20 5 FFBDHN C[NH+](C)[C@H](CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC001578962303 1078555049 /nfs/dbraw/zinc/55/50/49/1078555049.db2.gz MYEACFDIKZTAOT-OAHLLOKOSA-N 0 3 371.376 2.629 20 5 FFBDHN Nc1cccc2c1CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C2 ZINC001580458998 1078809317 /nfs/dbraw/zinc/80/93/17/1078809317.db2.gz NDIMFHQFMIDGIM-UHFFFAOYSA-N 0 3 358.373 2.703 20 5 FFBDHN C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCN1C1CCCC1 ZINC001558321148 1075981046 /nfs/dbraw/zinc/98/10/46/1075981046.db2.gz JYOJFWGZICEZFL-GFCCVEGCSA-N 0 3 357.414 2.560 20 5 FFBDHN COc1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-])C2 ZINC001560704954 1076292950 /nfs/dbraw/zinc/29/29/50/1076292950.db2.gz ATHDUTLCJDXRCV-HNNXBMFYSA-N 0 3 358.394 2.965 20 5 FFBDHN CC(C)[C@H](CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC001590268920 1081133617 /nfs/dbraw/zinc/13/36/17/1081133617.db2.gz GZCGBTKJEVNAPV-KRWDZBQOSA-N 0 3 373.461 2.943 20 5 FFBDHN CC(C)[C@H](CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC001590268920 1081133620 /nfs/dbraw/zinc/13/36/20/1081133620.db2.gz GZCGBTKJEVNAPV-KRWDZBQOSA-N 0 3 373.461 2.943 20 5 FFBDHN COc1ccc(C(=O)N2C[C@H](N(C)C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000067208515 249683675 /nfs/dbraw/zinc/68/36/75/249683675.db2.gz DCIRCUVGCJQUIW-OAHLLOKOSA-N 0 3 355.394 2.737 20 5 FFBDHN Cn1cc(CN2CC[C@H]3OCCC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093505007 250036150 /nfs/dbraw/zinc/03/61/50/250036150.db2.gz NEXZDZKYNBWMQE-CRAIPNDOSA-N 0 3 356.426 2.996 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@]1(CO)CCc2ccccc21 ZINC000132487006 251062660 /nfs/dbraw/zinc/06/26/60/251062660.db2.gz LFSLWVRCPRKOCO-FQEVSTJZSA-N 0 3 369.421 2.655 20 5 FFBDHN CCCc1n[nH]c(C(=O)N[C@H](CN)c2ccc3ccccc3c2)c1[N+](=O)[O-] ZINC000192548470 251288497 /nfs/dbraw/zinc/28/84/97/251288497.db2.gz WQTQIJVUHZZIRU-MRXNPFEDSA-N 0 3 367.409 2.853 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@@H](N4CCCCC4)C3)n2)c1 ZINC000264627268 251328625 /nfs/dbraw/zinc/32/86/25/251328625.db2.gz SUHKSVKEXPQVIN-MRXNPFEDSA-N 0 3 357.414 2.705 20 5 FFBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000272425325 252034825 /nfs/dbraw/zinc/03/48/25/252034825.db2.gz CARKBRLVZRYJET-BLLLJJGKSA-N 0 3 366.849 2.874 20 5 FFBDHN COc1ccc(NC(=O)N(CCN(C)C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000272776828 252129355 /nfs/dbraw/zinc/12/93/55/252129355.db2.gz DAAMMUCVDGVUPV-UHFFFAOYSA-N 0 3 362.386 2.792 20 5 FFBDHN Cc1c(C(=O)N(C)[C@H](C)C2CCN(C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000273204593 252248850 /nfs/dbraw/zinc/24/88/50/252248850.db2.gz AJEODNGLUMMAJQ-GFCCVEGCSA-N 0 3 364.402 2.614 20 5 FFBDHN CN(C)CCc1ccccc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000275676807 256037320 /nfs/dbraw/zinc/03/73/20/256037320.db2.gz PRFNMGWJQTZRAJ-UHFFFAOYSA-N 0 3 371.393 2.722 20 5 FFBDHN Cc1ccc(C)c(S(=O)(=O)N(C)C2CCN(C(C)C)CC2)c1[N+](=O)[O-] ZINC000276907981 256141902 /nfs/dbraw/zinc/14/19/02/256141902.db2.gz WTKXMBOKWGQQFV-UHFFFAOYSA-N 0 3 369.487 2.705 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC(CO)(Cc3ccccc3)CC2)c1 ZINC000277791347 256239930 /nfs/dbraw/zinc/23/99/30/256239930.db2.gz OQZUOWJABHLDIC-HXUWFJFHSA-N 0 3 370.449 2.945 20 5 FFBDHN COCCCCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000289734512 257296116 /nfs/dbraw/zinc/29/61/16/257296116.db2.gz DOCNOLPDLBKMAK-UHFFFAOYSA-N 0 3 364.183 2.716 20 5 FFBDHN COc1ccc(C[C@](C)(O)CNCc2ccccc2[N+](=O)[O-])cc1OC ZINC000289838198 257302173 /nfs/dbraw/zinc/30/21/73/257302173.db2.gz OSSKBPCEJSAUPU-IBGZPJMESA-N 0 3 360.410 2.695 20 5 FFBDHN COc1cc(C(=O)N(C)C2CCN(C(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000298143857 257889049 /nfs/dbraw/zinc/88/90/49/257889049.db2.gz AXBCUYXKDVYOOS-UHFFFAOYSA-N 0 3 365.430 2.557 20 5 FFBDHN Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@H](C)N2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301120797 258026589 /nfs/dbraw/zinc/02/65/89/258026589.db2.gz SMDAVRFULWOKMB-VXGBXAGGSA-N 0 3 366.418 2.836 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(Cc1ccccn1)C1CC1 ZINC000299509530 258000937 /nfs/dbraw/zinc/00/09/37/258000937.db2.gz CCNVPFDLTRNXDN-UHFFFAOYSA-N 0 3 370.409 2.992 20 5 FFBDHN CCN1CCN([C@@H](C)CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000302162903 258092338 /nfs/dbraw/zinc/09/23/38/258092338.db2.gz KHNBNTZIMHCONN-HNNXBMFYSA-N 0 3 357.458 2.889 20 5 FFBDHN CC[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CCN1Cc1ccccc1 ZINC000302175634 258093076 /nfs/dbraw/zinc/09/30/76/258093076.db2.gz WWODALCBFRPHMQ-INIZCTEOSA-N 0 3 366.425 2.738 20 5 FFBDHN Cc1cc(N[C@@H](C)CCN2CCN(C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302299918 258098593 /nfs/dbraw/zinc/09/85/93/258098593.db2.gz YGQWKKKCNDKVAA-AWEZNQCLSA-N 0 3 357.458 2.889 20 5 FFBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCN1CC(C)(C)O ZINC000302465498 258102553 /nfs/dbraw/zinc/10/25/53/258102553.db2.gz BFNGXQMKZFVKFR-LLVKDONJSA-N 0 3 361.364 2.895 20 5 FFBDHN COC(=O)c1cnc(N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000302754116 258109789 /nfs/dbraw/zinc/10/97/89/258109789.db2.gz IANAVANBXGVGQX-XJKSGUPXSA-N 0 3 370.409 2.709 20 5 FFBDHN Cc1nc(N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000301736146 258065599 /nfs/dbraw/zinc/06/55/99/258065599.db2.gz VCAKYMNXXNUSGO-IRXDYDNUSA-N 0 3 356.426 2.593 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H]2CCCCN2C[C@@H]1C ZINC000332007013 258209647 /nfs/dbraw/zinc/20/96/47/258209647.db2.gz JJQONTLPJIUVJF-DOTOQJQBSA-N 0 3 360.458 2.790 20 5 FFBDHN CCN(CC)[C@H](C)CNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000032072678 506228601 /nfs/dbraw/zinc/22/86/01/506228601.db2.gz QNNYNVCKBKECRN-SNVBAGLBSA-N 0 3 363.867 2.565 20 5 FFBDHN O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CC[C@@H](N2CCCC2)C1 ZINC000366807953 512194441 /nfs/dbraw/zinc/19/44/41/512194441.db2.gz POXBRXKBCQAANA-MRXNPFEDSA-N 0 3 366.421 2.967 20 5 FFBDHN Cc1ccc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc1[N+](=O)[O-] ZINC000053991970 506473123 /nfs/dbraw/zinc/47/31/23/506473123.db2.gz LSXAJDUJDLSJJK-UHFFFAOYSA-N 0 3 357.410 2.774 20 5 FFBDHN CN(CCNC(=O)CSc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000054265665 506525934 /nfs/dbraw/zinc/52/59/34/506525934.db2.gz QIUOZLBNTCMXTC-UHFFFAOYSA-N 0 3 359.451 2.935 20 5 FFBDHN Cc1noc(C2CCN(CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)n1 ZINC000054677869 506603160 /nfs/dbraw/zinc/60/31/60/506603160.db2.gz VOGCUHRJNNXWSN-UHFFFAOYSA-N 0 3 373.413 2.803 20 5 FFBDHN CN(C)CCNC(=O)c1cccc(CNc2cccc(F)c2[N+](=O)[O-])c1 ZINC000066816354 506651382 /nfs/dbraw/zinc/65/13/82/506651382.db2.gz JFYGGJKZHHDQEE-UHFFFAOYSA-N 0 3 360.389 2.637 20 5 FFBDHN CC(C)(C)CCN1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000067377837 506850137 /nfs/dbraw/zinc/85/01/37/506850137.db2.gz MNAKCVXFXJWANS-SFHVURJKSA-N 0 3 374.485 2.754 20 5 FFBDHN O=C(NCCCN1CCc2ccccc2C1)NCc1cccc([N+](=O)[O-])c1 ZINC000067536468 506916435 /nfs/dbraw/zinc/91/64/35/506916435.db2.gz GALLWURSRVUAQJ-UHFFFAOYSA-N 0 3 368.437 2.842 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000046722294 507182344 /nfs/dbraw/zinc/18/23/44/507182344.db2.gz SZVRIINKWZAXAU-UHFFFAOYSA-N 0 3 359.382 2.796 20 5 FFBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCN1CCC[C@@H](C)C1 ZINC000068353296 507199580 /nfs/dbraw/zinc/19/95/80/507199580.db2.gz LUXNZRHNOVOPBV-CHWSQXEVSA-N 0 3 369.849 2.864 20 5 FFBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NCCN2CCCC[C@@H]2C)cc1OC ZINC000046859955 507210323 /nfs/dbraw/zinc/21/03/23/507210323.db2.gz YNJZWEGFSPDWPO-ZDUSSCGKSA-N 0 3 365.430 2.606 20 5 FFBDHN C[C@@H]1CCCCN1CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000047142614 507272450 /nfs/dbraw/zinc/27/24/50/507272450.db2.gz NJUAWBQCDYHFFV-MRXNPFEDSA-N 0 3 374.485 2.802 20 5 FFBDHN C[C@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N(C)C1CC1 ZINC000057705540 507311793 /nfs/dbraw/zinc/31/17/93/507311793.db2.gz SOBMHICBXORJHT-LLVKDONJSA-N 0 3 360.439 2.931 20 5 FFBDHN Cc1ccc(C(=O)NCC2CCN(Cc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000023016049 507324607 /nfs/dbraw/zinc/32/46/07/507324607.db2.gz FUMFBLXWWHRFQE-UHFFFAOYSA-N 0 3 368.437 2.940 20 5 FFBDHN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CCN(C)CC2)CC1 ZINC000057801434 507331567 /nfs/dbraw/zinc/33/15/67/507331567.db2.gz SAFNFCXKODBHIK-UHFFFAOYSA-N 0 3 360.458 2.655 20 5 FFBDHN COc1cc(C(=O)Nc2cccc(CN(C)C)c2)c([N+](=O)[O-])cc1OC ZINC000047453099 507336517 /nfs/dbraw/zinc/33/65/17/507336517.db2.gz GXIGPHCJZVJNKT-UHFFFAOYSA-N 0 3 359.382 2.926 20 5 FFBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000059002846 507491355 /nfs/dbraw/zinc/49/13/55/507491355.db2.gz NCCZJBIQEMFIMF-UHFFFAOYSA-N 0 3 359.401 2.867 20 5 FFBDHN CCN(CC)CCN(CC(C)C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000059829248 507503754 /nfs/dbraw/zinc/50/37/54/507503754.db2.gz NAUJUFLRDIBGAK-UHFFFAOYSA-N 0 3 371.503 2.724 20 5 FFBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000061164856 507601137 /nfs/dbraw/zinc/60/11/37/507601137.db2.gz XDHMNPIFHCVHEJ-MRXNPFEDSA-N 0 3 369.425 2.501 20 5 FFBDHN C[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000026713221 507604232 /nfs/dbraw/zinc/60/42/32/507604232.db2.gz XIWLHQOHSZOVIU-SMDDNHRTSA-N 0 3 352.337 2.964 20 5 FFBDHN CCOc1cc(C(=O)N[C@H](C)CN2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000027756096 507681834 /nfs/dbraw/zinc/68/18/34/507681834.db2.gz IWOSNJOVEJBHEZ-CYBMUJFWSA-N 0 3 365.430 2.606 20 5 FFBDHN C[C@@H](CN1CCCCC1)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000027771743 507684487 /nfs/dbraw/zinc/68/44/87/507684487.db2.gz BFYGIYAGYOXOAW-HNNXBMFYSA-N 0 3 360.458 2.799 20 5 FFBDHN O=C(COc1ccccc1[N+](=O)[O-])NCCCN1CCc2ccccc2C1 ZINC000029838519 507792633 /nfs/dbraw/zinc/79/26/33/507792633.db2.gz FZRIIZUZDOGHCE-UHFFFAOYSA-N 0 3 369.421 2.538 20 5 FFBDHN Cc1ccc(NC(=O)N(CCN(C)C)Cc2ccccn2)cc1[N+](=O)[O-] ZINC000107372893 507847895 /nfs/dbraw/zinc/84/78/95/507847895.db2.gz ZMRPEGRHEPKZCU-UHFFFAOYSA-N 0 3 357.414 2.894 20 5 FFBDHN CNC(=O)C1CCN(Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000073157730 507899313 /nfs/dbraw/zinc/89/93/13/507899313.db2.gz FIFCTVCUTBOXBL-UHFFFAOYSA-N 0 3 350.418 2.904 20 5 FFBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](c1cccc(F)c1)N(C)C ZINC000109317277 507954931 /nfs/dbraw/zinc/95/49/31/507954931.db2.gz BBIOBLOUEGCNLI-QGZVFWFLSA-N 0 3 360.389 2.808 20 5 FFBDHN COc1cc(N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000091478520 507988966 /nfs/dbraw/zinc/98/89/66/507988966.db2.gz CYMWFYKTGCVKBH-HUUCEWRRSA-N 0 3 363.458 2.929 20 5 FFBDHN CCc1nn(C)c(N(C)[C@@H]2CCCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000091730777 508005744 /nfs/dbraw/zinc/00/57/44/508005744.db2.gz ROIMUJUWPAIFOS-MRXNPFEDSA-N 0 3 357.458 2.992 20 5 FFBDHN C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)CCN1Cc1ccccc1 ZINC000080230703 508054388 /nfs/dbraw/zinc/05/43/88/508054388.db2.gz ZEJJLJIALRSMQQ-DZGCQCFKSA-N 0 3 369.425 2.554 20 5 FFBDHN Cc1cc([N+](=O)[O-])cnc1NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000092609186 508086474 /nfs/dbraw/zinc/08/64/74/508086474.db2.gz YLSKSEQNNOLABX-UHFFFAOYSA-N 0 3 355.442 2.658 20 5 FFBDHN CCCN(CC)CCNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000080677941 508094540 /nfs/dbraw/zinc/09/45/40/508094540.db2.gz HAYYPOVKSULSFE-UHFFFAOYSA-N 0 3 359.430 2.703 20 5 FFBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cccc(-n4cccn4)c3)C2)nc1 ZINC000093534243 508147877 /nfs/dbraw/zinc/14/78/77/508147877.db2.gz IAYYGOAXTWWLPC-INIZCTEOSA-N 0 3 364.409 2.862 20 5 FFBDHN CCN1CCN(C[C@H](C)CNc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000112075078 508148726 /nfs/dbraw/zinc/14/87/26/508148726.db2.gz DFJWOUWXVSPFKB-OAHLLOKOSA-N 0 3 357.458 2.829 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCSC(C)(C)C1 ZINC000083415813 508245343 /nfs/dbraw/zinc/24/53/43/508245343.db2.gz GHUZKZKTDYFLMP-UHFFFAOYSA-N 0 3 353.444 2.759 20 5 FFBDHN CC(C)C[C@@H](CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000114377780 508308530 /nfs/dbraw/zinc/30/85/30/508308530.db2.gz YJIYDSGRQYJPPN-INIZCTEOSA-N 0 3 373.457 2.701 20 5 FFBDHN CCOc1ccc([C@H](C)NCC(C)(C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000152586291 508474531 /nfs/dbraw/zinc/47/45/31/508474531.db2.gz FAWOLMJFJRAGAP-AWEZNQCLSA-N 0 3 351.447 2.755 20 5 FFBDHN CCOC[C@H]1CCCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000117341909 508593644 /nfs/dbraw/zinc/59/36/44/508593644.db2.gz DKNYGRIUVMRTDD-AWEZNQCLSA-N 0 3 363.414 2.641 20 5 FFBDHN CCOc1ccc([C@@H](C)NC[C@@H]2CCCN2CCOC)cc1[N+](=O)[O-] ZINC000153553665 508595795 /nfs/dbraw/zinc/59/57/95/508595795.db2.gz YVEAPJWMEWWIOJ-ZBFHGGJFSA-N 0 3 351.447 2.755 20 5 FFBDHN Cc1ccc(CN2CCCC2)cc1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000128762846 508640742 /nfs/dbraw/zinc/64/07/42/508640742.db2.gz UGFMBEWJAPHMKP-UHFFFAOYSA-N 0 3 357.414 2.724 20 5 FFBDHN O=C(CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1cccc(F)c1 ZINC000118866461 508688470 /nfs/dbraw/zinc/68/84/70/508688470.db2.gz HZFLEDVYHICCGH-HNNXBMFYSA-N 0 3 373.388 2.644 20 5 FFBDHN CN(C)Cc1cccc(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000129135719 508688780 /nfs/dbraw/zinc/68/87/80/508688780.db2.gz CTYNMJMJUNPFGY-UHFFFAOYSA-N 0 3 366.421 2.997 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC(c3nnc4ccccn43)CC2)c1 ZINC000154246233 508744694 /nfs/dbraw/zinc/74/46/94/508744694.db2.gz UFXWDWOCOMANGS-QGZVFWFLSA-N 0 3 367.409 2.551 20 5 FFBDHN C[C@@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)N1CCC[C@H](C)C1 ZINC000124119392 508786003 /nfs/dbraw/zinc/78/60/03/508786003.db2.gz CKCFWNCEUNXKAI-GJZGRUSLSA-N 0 3 360.458 2.783 20 5 FFBDHN CN(C)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000124569932 508853101 /nfs/dbraw/zinc/85/31/01/508853101.db2.gz OCGOVSIBJHOYJQ-KRWDZBQOSA-N 0 3 359.401 2.566 20 5 FFBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H](O)c1ccc(F)cc1 ZINC000124828677 508890838 /nfs/dbraw/zinc/89/08/38/508890838.db2.gz XTXBBTQKNCESHO-YVEFUNNKSA-N 0 3 361.373 2.774 20 5 FFBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H](CSc2ccccc2)C1 ZINC000159855679 508900755 /nfs/dbraw/zinc/90/07/55/508900755.db2.gz BDDREKZQTNJVLV-OAHLLOKOSA-N 0 3 359.451 2.871 20 5 FFBDHN COc1ccc(-c2ccc(CN3CCC[C@@H](C(N)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000155006074 508902666 /nfs/dbraw/zinc/90/26/66/508902666.db2.gz ZSBPXGVGMFSBMK-GFCCVEGCSA-N 0 3 359.382 2.561 20 5 FFBDHN C[C@@H]1CCCCN1CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000159896191 508907425 /nfs/dbraw/zinc/90/74/25/508907425.db2.gz SVLIHYMWVYBWHJ-LLVKDONJSA-N 0 3 370.247 2.962 20 5 FFBDHN C[C@H](N[C@@H](C)C1CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000125468218 508987639 /nfs/dbraw/zinc/98/76/39/508987639.db2.gz LDVXVUCUERZHND-QWRGUYRKSA-N 0 3 355.822 2.980 20 5 FFBDHN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000151679021 509065238 /nfs/dbraw/zinc/06/52/38/509065238.db2.gz PLEGALFRQNCNCM-QGZVFWFLSA-N 0 3 362.430 2.704 20 5 FFBDHN CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1ccccn1 ZINC000161188812 509082898 /nfs/dbraw/zinc/08/28/98/509082898.db2.gz XENXBQSGXKJRTO-UHFFFAOYSA-N 0 3 358.398 2.849 20 5 FFBDHN CCCN(CCN(C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000152089325 509144071 /nfs/dbraw/zinc/14/40/71/509144071.db2.gz ASYIZMITHPRWLI-UHFFFAOYSA-N 0 3 372.263 2.700 20 5 FFBDHN C[C@H]1CN(CC2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000263846382 509183825 /nfs/dbraw/zinc/18/38/25/509183825.db2.gz XIIANHNCOMBFEI-GJZGRUSLSA-N 0 3 361.442 2.556 20 5 FFBDHN CCCCN1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000191897341 509235537 /nfs/dbraw/zinc/23/55/37/509235537.db2.gz XLVSILGIKQQWDC-UHFFFAOYSA-N 0 3 369.487 2.754 20 5 FFBDHN C[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1COc2ccccc21 ZINC000185595069 509255026 /nfs/dbraw/zinc/25/50/26/509255026.db2.gz MCGDLCQBOPSQEO-SUMWQHHRSA-N 0 3 367.405 2.638 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCCN(c2ccccc2)CC1 ZINC000248374145 509279058 /nfs/dbraw/zinc/27/90/58/509279058.db2.gz OBLXXASTNBMIGX-GOSISDBHSA-N 0 3 371.437 2.547 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H](Nc2ccccc2)C1 ZINC000248459699 509331014 /nfs/dbraw/zinc/33/10/14/509331014.db2.gz NUYVKSTYOAGTOZ-IAGOWNOFSA-N 0 3 357.410 2.521 20 5 FFBDHN Cn1cc(CN2CCC[C@@H](C3OCCO3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179366134 509403639 /nfs/dbraw/zinc/40/36/39/509403639.db2.gz OIZSKBOMNKEJEB-OAHLLOKOSA-N 0 3 372.425 2.580 20 5 FFBDHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000192211011 509403946 /nfs/dbraw/zinc/40/39/46/509403946.db2.gz PUYDJSMYRJAXEF-IBGZPJMESA-N 0 3 369.421 2.616 20 5 FFBDHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1ccccc1[N+](=O)[O-] ZINC000192210633 509404096 /nfs/dbraw/zinc/40/40/96/509404096.db2.gz JORRAPXWWDNUIR-QGZVFWFLSA-N 0 3 369.421 2.616 20 5 FFBDHN COc1ccc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000248894078 509533993 /nfs/dbraw/zinc/53/39/93/509533993.db2.gz SXODRSZEHVVRLM-WMLDXEAASA-N 0 3 369.421 2.854 20 5 FFBDHN CN(C)CCN1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000192516350 509543992 /nfs/dbraw/zinc/54/39/92/509543992.db2.gz IDQHBYPBSAUIND-UHFFFAOYSA-N 0 3 362.477 2.707 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000173368603 509557088 /nfs/dbraw/zinc/55/70/88/509557088.db2.gz ZWCLRCRIDRVHLF-RTBURBONSA-N 0 3 370.384 2.671 20 5 FFBDHN COc1ccc(NC(=O)CN(C[C@H](C)O)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000170691373 509724896 /nfs/dbraw/zinc/72/48/96/509724896.db2.gz UJPZFAOQZTVLRV-ZDUSSCGKSA-N 0 3 365.430 2.557 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CN1C1CC1 ZINC000268040723 509730238 /nfs/dbraw/zinc/73/02/38/509730238.db2.gz XYWBBGDLFRDMIF-ONGXEEELSA-N 0 3 357.332 2.969 20 5 FFBDHN COc1cc(CN[C@H](CO)C(C)(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000193106452 509782245 /nfs/dbraw/zinc/78/22/45/509782245.db2.gz KLMURFXGIVDHBW-CQSZACIVSA-N 0 3 362.373 2.744 20 5 FFBDHN CC(C)(CNC(=O)Nc1ccncc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000183564348 509862921 /nfs/dbraw/zinc/86/29/21/509862921.db2.gz CNFSOAZRVJUTSI-UHFFFAOYSA-N 0 3 369.425 2.948 20 5 FFBDHN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@H](N2CCCC2)C1 ZINC000177089210 509864283 /nfs/dbraw/zinc/86/42/83/509864283.db2.gz KEWRLGSHHPPLAL-GFCCVEGCSA-N 0 3 368.231 2.668 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000183585824 509872988 /nfs/dbraw/zinc/87/29/88/509872988.db2.gz GBURDIOQKXCHKJ-ZFWWWQNUSA-N 0 3 355.398 2.774 20 5 FFBDHN COC(=O)c1cn(C2CCN([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)nn1 ZINC000183723701 509946680 /nfs/dbraw/zinc/94/66/80/509946680.db2.gz MMZFDEOPHUCKGA-CYBMUJFWSA-N 0 3 373.413 2.679 20 5 FFBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000265284417 509967387 /nfs/dbraw/zinc/96/73/87/509967387.db2.gz JFMLLZICXQPKNK-UONOGXRCSA-N 0 3 351.472 2.876 20 5 FFBDHN CN(C)C1(CN(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])CCC1 ZINC000187012603 510005043 /nfs/dbraw/zinc/00/50/43/510005043.db2.gz PLZQNTXCMGIQFH-UHFFFAOYSA-N 0 3 370.247 2.914 20 5 FFBDHN N[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000261675721 510023289 /nfs/dbraw/zinc/02/32/89/510023289.db2.gz HYGJBJSOPLSABW-RBUKOAKNSA-N 0 3 368.437 2.740 20 5 FFBDHN CN1CC[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000245624627 510045113 /nfs/dbraw/zinc/04/51/13/510045113.db2.gz GEVKTJXBAXACDR-FUHWJXTLSA-N 0 3 354.410 2.839 20 5 FFBDHN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000180693463 510059419 /nfs/dbraw/zinc/05/94/19/510059419.db2.gz GSMNQWLHADBRTM-UHFFFAOYSA-N 0 3 360.458 2.905 20 5 FFBDHN O=C(NC[C@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000193813026 510083123 /nfs/dbraw/zinc/08/31/23/510083123.db2.gz XKJVGNGSELAXNC-OAHLLOKOSA-N 0 3 357.385 2.986 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(Cc1cccnc1)C1CC1 ZINC000180742594 510085347 /nfs/dbraw/zinc/08/53/47/510085347.db2.gz NYXAUTUFBFOPPA-UHFFFAOYSA-N 0 3 370.409 2.992 20 5 FFBDHN CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000190422662 510122718 /nfs/dbraw/zinc/12/27/18/510122718.db2.gz HEKCUNAIDPUIMY-YOEHRIQHSA-N 0 3 360.414 2.830 20 5 FFBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000246025814 510254200 /nfs/dbraw/zinc/25/42/00/510254200.db2.gz VNGNHSFYCKZVFJ-SMDDNHRTSA-N 0 3 369.368 2.753 20 5 FFBDHN CCN(Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174745015 510286827 /nfs/dbraw/zinc/28/68/27/510286827.db2.gz UGPZOFZXHLOSRU-CYBMUJFWSA-N 0 3 373.240 2.981 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CCN(CC)C[C@H]1C ZINC000246092380 510287119 /nfs/dbraw/zinc/28/71/19/510287119.db2.gz GVPRHDCWBZJQQA-CJNGLKHVSA-N 0 3 369.487 2.508 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCN4CCCC[C@H]4C3)o2)c1 ZINC000246287145 510407565 /nfs/dbraw/zinc/40/75/65/510407565.db2.gz AFMIMZFAGGRQBC-KRWDZBQOSA-N 0 3 356.426 2.962 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1cccc(O)c1 ZINC000181493439 510437697 /nfs/dbraw/zinc/43/76/97/510437697.db2.gz IRURNIQFJMVXQE-LBPRGKRZSA-N 0 3 359.382 2.988 20 5 FFBDHN CCc1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)N(C)C)cc1 ZINC000178151040 510460287 /nfs/dbraw/zinc/46/02/87/510460287.db2.gz RMRWNARAEOSKKJ-KRWDZBQOSA-N 0 3 356.426 2.772 20 5 FFBDHN CN(Cc1c(F)cccc1[N+](=O)[O-])C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000188277615 510685200 /nfs/dbraw/zinc/68/52/00/510685200.db2.gz BMGVGYLKQCISIC-FQEVSTJZSA-N 0 3 373.428 2.803 20 5 FFBDHN C[C@@H]1CN(C)c2ccccc2CN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181976719 510688685 /nfs/dbraw/zinc/68/86/85/510688685.db2.gz XJHJMEHATADSRF-WBVHZDCISA-N 0 3 371.437 2.675 20 5 FFBDHN C[C@H](NC(=O)CC1(N2CCOCC2)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000172414780 510715800 /nfs/dbraw/zinc/71/58/00/510715800.db2.gz NIVAQQANFHFAJN-HNNXBMFYSA-N 0 3 361.442 2.807 20 5 FFBDHN COc1ccc([C@H](C)NC[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1F ZINC000182179151 510799234 /nfs/dbraw/zinc/79/92/34/510799234.db2.gz ZYXBAAIRZRGHSB-GXTWGEPZSA-N 0 3 364.373 2.833 20 5 FFBDHN O=C(CCN1CCC[C@H](c2ncc[nH]2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000364604032 510965157 /nfs/dbraw/zinc/96/51/57/510965157.db2.gz HIVMQIHWFVPVCV-LBPRGKRZSA-N 0 3 361.377 2.665 20 5 FFBDHN CN1CCC[C@]2(CCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000294231686 510998748 /nfs/dbraw/zinc/99/87/48/510998748.db2.gz RNVRZAKNASVTJR-KRWDZBQOSA-N 0 3 369.824 2.874 20 5 FFBDHN CC(C)c1ccc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000364755291 511063126 /nfs/dbraw/zinc/06/31/26/511063126.db2.gz NYTFDYPDCGXYEF-MRXNPFEDSA-N 0 3 361.442 2.701 20 5 FFBDHN CC(C)N1CCN(CCCn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000298113422 511179715 /nfs/dbraw/zinc/17/97/15/511179715.db2.gz BDKDNYVZMKGROL-UHFFFAOYSA-N 0 3 357.458 2.874 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H]3CN4CCC[C@@H]4CO3)cs2)c1 ZINC000362719297 511225186 /nfs/dbraw/zinc/22/51/86/511225186.db2.gz IGTGPQPUVQPKDS-IAGOWNOFSA-N 0 3 374.466 2.671 20 5 FFBDHN CCN1CCCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000271512711 511229614 /nfs/dbraw/zinc/22/96/14/511229614.db2.gz AMPJYMGYMGQWLE-UHFFFAOYSA-N 0 3 371.235 2.917 20 5 FFBDHN CN1CCN(CC2CCN(c3c4ccccc4ncc3[N+](=O)[O-])CC2)CC1 ZINC000291567472 511249116 /nfs/dbraw/zinc/24/91/16/511249116.db2.gz DHPCSWDBKZJXBL-UHFFFAOYSA-N 0 3 369.469 2.607 20 5 FFBDHN CN1CCC[C@H]2CN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000295078324 511273855 /nfs/dbraw/zinc/27/38/55/511273855.db2.gz WOUBJMBMGKXXRT-RDJZCZTQSA-N 0 3 359.426 2.500 20 5 FFBDHN COc1ccc(OCCN(C)[C@@H](CC(N)=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000280510799 511493900 /nfs/dbraw/zinc/49/39/00/511493900.db2.gz NNDWQAODCNDJLB-INIZCTEOSA-N 0 3 373.409 2.531 20 5 FFBDHN CN1CC[C@@]2(CCN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000292181449 511497155 /nfs/dbraw/zinc/49/71/55/511497155.db2.gz KQRPESGLXXOXHT-QGZVFWFLSA-N 0 3 367.833 2.571 20 5 FFBDHN CN(C(=O)CN[C@H]1CCN(C)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000283966057 511559058 /nfs/dbraw/zinc/55/90/58/511559058.db2.gz IFTFVDWIANBLIS-AZUAARDMSA-N 0 3 368.437 2.593 20 5 FFBDHN Cc1c(NC(=O)NC[C@H](C)N(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000280836369 511622580 /nfs/dbraw/zinc/62/25/80/511622580.db2.gz VQTZVCIMSUSOAH-QMMMGPOBSA-N 0 3 359.224 2.737 20 5 FFBDHN CCOC(=O)C1CCC(O)(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000296721887 511869859 /nfs/dbraw/zinc/86/98/59/511869859.db2.gz NCOZRDYUTMPPTH-UQHVZDHRSA-N 0 3 350.415 2.730 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)c1 ZINC000366163370 511875529 /nfs/dbraw/zinc/87/55/29/511875529.db2.gz JYXPLVZPAYBDND-CQSZACIVSA-N 0 3 371.393 2.573 20 5 FFBDHN C[C@H](N[C@H]1CCC[C@H]1CCO)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000284823327 511885661 /nfs/dbraw/zinc/88/56/61/511885661.db2.gz AGOBNISPPSGBRR-MJVIPROJSA-N 0 3 355.822 2.716 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@H]1N1CCCC1 ZINC000274851676 511964356 /nfs/dbraw/zinc/96/43/56/511964356.db2.gz AZNGKFVXCFGANH-IAGOWNOFSA-N 0 3 374.466 2.728 20 5 FFBDHN CCNC(=O)COc1cccc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000285308277 512072589 /nfs/dbraw/zinc/07/25/89/512072589.db2.gz SJQVWYREKZYQBJ-ZDUSSCGKSA-N 0 3 372.425 2.543 20 5 FFBDHN COc1cc(CN[C@H]2CCC[C@H]2CCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000275229745 512081479 /nfs/dbraw/zinc/08/14/79/512081479.db2.gz JAXZMTSBTCEMCK-AAEUAGOBSA-N 0 3 374.384 2.888 20 5 FFBDHN CN1CCC2(CCCN2C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000367351593 512457168 /nfs/dbraw/zinc/45/71/68/512457168.db2.gz LUFLMKGOVXWZMG-UHFFFAOYSA-N 0 3 356.426 2.705 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@H](C)N2CCCC[C@H]2C)c1F ZINC000411414184 512624428 /nfs/dbraw/zinc/62/44/28/512624428.db2.gz HSHJKCAJGNISAY-OLZOCXBDSA-N 0 3 367.421 2.664 20 5 FFBDHN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000367935709 512731255 /nfs/dbraw/zinc/73/12/55/512731255.db2.gz QSIYINMBAWUSLQ-UHFFFAOYSA-N 0 3 374.485 2.651 20 5 FFBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1N1CCN(C)CC1 ZINC000374308236 512758277 /nfs/dbraw/zinc/75/82/77/512758277.db2.gz FPYAXOYVAINOPD-BBRMVZONSA-N 0 3 352.866 2.710 20 5 FFBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)CC[C@@H]1N1CCN(C)CC1 ZINC000374314697 512761124 /nfs/dbraw/zinc/76/11/24/512761124.db2.gz XBTLZZLCGCUUEN-YJBOKZPZSA-N 0 3 369.469 2.605 20 5 FFBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000376523512 512856298 /nfs/dbraw/zinc/85/62/98/512856298.db2.gz VOTBQKSIRCMCIO-GUYCJALGSA-N 0 3 358.442 2.868 20 5 FFBDHN CCc1nn(C)c(N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000381013579 512874056 /nfs/dbraw/zinc/87/40/56/512874056.db2.gz PYPMNWCQMZQPGN-DLBZAZTESA-N 0 3 369.469 2.849 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H](Oc3ccccc3)C2)c1 ZINC000411979306 512899157 /nfs/dbraw/zinc/89/91/57/512899157.db2.gz CWQQAUXEAIFCSC-PXNSSMCTSA-N 0 3 372.421 2.878 20 5 FFBDHN C[C@@]1(CNC(=O)c2cccc([N+](=O)[O-])c2N)CCCN1Cc1ccccc1 ZINC000397919617 512950863 /nfs/dbraw/zinc/95/08/63/512950863.db2.gz PCRURJYWWQGKBI-FQEVSTJZSA-N 0 3 368.437 2.962 20 5 FFBDHN Cc1cc(C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)cc([N+](=O)[O-])c1 ZINC000370502673 512966633 /nfs/dbraw/zinc/96/66/33/512966633.db2.gz IJEQKAIUYDTRFK-MRXNPFEDSA-N 0 3 355.394 2.873 20 5 FFBDHN C[C@@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N(C)C ZINC000412393753 513062975 /nfs/dbraw/zinc/06/29/75/513062975.db2.gz KACKDYLQDNUNMI-AWEZNQCLSA-N 0 3 357.410 2.854 20 5 FFBDHN COCCNCCNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000415199261 513149279 /nfs/dbraw/zinc/14/92/79/513149279.db2.gz VVRICRMRVOEFMR-UHFFFAOYSA-N 0 3 374.397 2.745 20 5 FFBDHN COC(=O)[C@@]1(c2ccccc2)CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000428802416 513195560 /nfs/dbraw/zinc/19/55/60/513195560.db2.gz JJVSLDQKQIBDKN-FQEVSTJZSA-N 0 3 370.405 2.790 20 5 FFBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000429023177 513260255 /nfs/dbraw/zinc/26/02/55/513260255.db2.gz DOXPTPZECWZEIZ-BASYENTBSA-N 0 3 360.458 2.584 20 5 FFBDHN C[C@H](NC(=O)NC[C@@H]1NCCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000417992287 513322408 /nfs/dbraw/zinc/32/24/08/513322408.db2.gz WKFWGSKBRGBMAY-GUYCJALGSA-N 0 3 354.410 2.842 20 5 FFBDHN CN(c1ccccc1)c1ccc(CN[C@@]2(CCO)CCOC2)cc1[N+](=O)[O-] ZINC000447068766 513390211 /nfs/dbraw/zinc/39/02/11/513390211.db2.gz PTHRBNWJNDJLCY-FQEVSTJZSA-N 0 3 371.437 2.994 20 5 FFBDHN CN1C[C@@H]2CCCN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000425060388 513396784 /nfs/dbraw/zinc/39/67/84/513396784.db2.gz VHRGNEWVMWILRQ-SWLSCSKDSA-N 0 3 367.833 2.570 20 5 FFBDHN Cc1cc(N[C@@H]2CCO[C@H](c3nccn3C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000450947089 513419814 /nfs/dbraw/zinc/41/98/14/513419814.db2.gz AZJSZMFNLJGMHB-ACJLOTCBSA-N 0 3 367.409 2.939 20 5 FFBDHN C[C@H]1CN(C2CCN(c3ccc([N+](=O)[O-])c4ncccc43)CC2)CCO1 ZINC000413074378 513425902 /nfs/dbraw/zinc/42/59/02/513425902.db2.gz JABCPBQOYSMABG-AWEZNQCLSA-N 0 3 356.426 2.833 20 5 FFBDHN C[C@H](c1ccncc1)N1CCC(Nc2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000425227796 513462690 /nfs/dbraw/zinc/46/26/90/513462690.db2.gz BBOJCYDKTWGHRT-CYBMUJFWSA-N 0 3 369.425 2.726 20 5 FFBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2ccc3c(c2)OCCO3)n1 ZINC000447513655 513493957 /nfs/dbraw/zinc/49/39/57/513493957.db2.gz YACGPVDGFLJCRK-HUUCEWRRSA-N 0 3 358.398 2.836 20 5 FFBDHN N[C@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccccc1 ZINC000418426488 513504622 /nfs/dbraw/zinc/50/46/22/513504622.db2.gz JYRXXQDFYCCBKZ-GOSISDBHSA-N 0 3 354.410 2.969 20 5 FFBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)c(F)c1 ZINC000413256552 513550540 /nfs/dbraw/zinc/55/05/40/513550540.db2.gz CPANEVJDUYUOSJ-MRXNPFEDSA-N 0 3 360.389 2.832 20 5 FFBDHN O=C1CC[C@H](NCc2ccc(Br)cc2[N+](=O)[O-])[C@@H](C2CC2)N1 ZINC000425447804 513571454 /nfs/dbraw/zinc/57/14/54/513571454.db2.gz SXDUTAZZOXLMLC-SWLSCSKDSA-N 0 3 368.231 2.504 20 5 FFBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1NCCc2ccccc21 ZINC000418635733 513585556 /nfs/dbraw/zinc/58/55/56/513585556.db2.gz LAUQYNALBHKNRV-GOSISDBHSA-N 0 3 368.437 2.666 20 5 FFBDHN COC(=O)[C@@H]1CCCCC[C@@H]1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000451229701 513609042 /nfs/dbraw/zinc/60/90/42/513609042.db2.gz NAVHWEITQBLJFH-WQVCFCJDSA-N 0 3 363.414 2.633 20 5 FFBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000451295496 513658854 /nfs/dbraw/zinc/65/88/54/513658854.db2.gz DNSUSYFKQVRWJG-OLMNPRSZSA-N 0 3 364.442 2.744 20 5 FFBDHN CNC(=O)[C@@]1(C)CCN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000430765502 513742427 /nfs/dbraw/zinc/74/24/27/513742427.db2.gz RPTQJMMEOGLGBE-IBGZPJMESA-N 0 3 373.409 2.821 20 5 FFBDHN CCO[C@@H]1C[C@@H](N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C12CCC2 ZINC000451484534 513779612 /nfs/dbraw/zinc/77/96/12/513779612.db2.gz XGEWXSBTHRUPAP-GVDBMIGSSA-N 0 3 359.426 2.637 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1C[C@H](OC(C)C)C1(C)C ZINC000451489070 513782714 /nfs/dbraw/zinc/78/27/14/513782714.db2.gz BSAXARBALMMEPW-HOTGVXAUSA-N 0 3 365.430 2.724 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000451489071 513783637 /nfs/dbraw/zinc/78/36/37/513783637.db2.gz BSAXARBALMMEPW-HZPDHXFCSA-N 0 3 365.430 2.724 20 5 FFBDHN O=[N+]([O-])c1ccc([C@H]2CCCN(C[C@@H](O)COCc3ccco3)C2)cc1 ZINC000451543137 513821969 /nfs/dbraw/zinc/82/19/69/513821969.db2.gz AZHMUNSRNNWGQS-FUHWJXTLSA-N 0 3 360.410 2.945 20 5 FFBDHN O=[N+]([O-])c1ccc([C@H]2CCCN(C[C@H](O)COCC(F)(F)F)C2)cc1 ZINC000451554156 513830180 /nfs/dbraw/zinc/83/01/80/513830180.db2.gz ZKCUFNCSFVKVHZ-ZFWWWQNUSA-N 0 3 362.348 2.714 20 5 FFBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CCCC[C@@H]1C ZINC000448699169 513852338 /nfs/dbraw/zinc/85/23/38/513852338.db2.gz SMHIYWVZXWZRMW-GJZGRUSLSA-N 0 3 371.441 2.773 20 5 FFBDHN C[C@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000448703568 513854324 /nfs/dbraw/zinc/85/43/24/513854324.db2.gz BYEXIWITJSVDGP-HUUCEWRRSA-N 0 3 361.442 2.794 20 5 FFBDHN CN(C)CCOc1ccc(NC(=O)c2csc([N+](=O)[O-])c2)c(F)c1 ZINC000413897499 513870718 /nfs/dbraw/zinc/87/07/18/513870718.db2.gz DWBQOBKRNNCISJ-UHFFFAOYSA-N 0 3 353.375 2.988 20 5 FFBDHN C[C@@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)CN1CCCCC1 ZINC000448754914 513881368 /nfs/dbraw/zinc/88/13/68/513881368.db2.gz XZKUAEWKILKEQZ-HNNXBMFYSA-N 0 3 361.442 2.796 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NCCCN(C)Cc1ccccc1 ZINC000426890014 514067677 /nfs/dbraw/zinc/06/76/77/514067677.db2.gz PSDAEPJUCXOCGR-UHFFFAOYSA-N 0 3 357.410 2.855 20 5 FFBDHN CCN(C)CCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444031721 514103907 /nfs/dbraw/zinc/10/39/07/514103907.db2.gz NOICJQVOWOAKOM-UHFFFAOYSA-N 0 3 359.376 2.641 20 5 FFBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000449213751 514115961 /nfs/dbraw/zinc/11/59/61/514115961.db2.gz VRCKWVYYCIIITJ-WCQYABFASA-N 0 3 359.348 2.669 20 5 FFBDHN Cc1cc(OCC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000432197218 514123167 /nfs/dbraw/zinc/12/31/67/514123167.db2.gz WUGCKPYXLHYLQJ-YLJYHZDGSA-N 0 3 369.421 2.844 20 5 FFBDHN C[C@H](c1ccccc1)N1CC[C@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420581457 514190256 /nfs/dbraw/zinc/19/02/56/514190256.db2.gz GZLHVIRLYSEKAS-HIFRSBDPSA-N 0 3 354.410 2.941 20 5 FFBDHN COc1cc(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000452121719 514205931 /nfs/dbraw/zinc/20/59/31/514205931.db2.gz KUQPZBSSNPROOY-TYNCELHUSA-N 0 3 365.405 2.545 20 5 FFBDHN COC[C@]1(C(=O)OC)CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000449460448 514218398 /nfs/dbraw/zinc/21/83/98/514218398.db2.gz ZBDJNDZMFDMVBG-IBGZPJMESA-N 0 3 374.393 2.866 20 5 FFBDHN COCc1nc2n(n1)C[C@H](N[C@@H]1CCCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000417313442 514288405 /nfs/dbraw/zinc/28/84/05/514288405.db2.gz VZJDMBHSIUVPFX-RHSMWYFYSA-N 0 3 371.441 2.705 20 5 FFBDHN CN(C)C(=O)[C@@H]1CC[C@@H](CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)O1 ZINC000417313553 514289311 /nfs/dbraw/zinc/28/93/11/514289311.db2.gz WNSKIGSSMHNOCE-JQHSSLGASA-N 0 3 361.442 2.588 20 5 FFBDHN CCc1ccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000424005172 514334467 /nfs/dbraw/zinc/33/44/67/514334467.db2.gz CCHSZHQNAMAISM-DLBZAZTESA-N 0 3 357.385 2.863 20 5 FFBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](N)Cc2ccccc21 ZINC000424068911 514367194 /nfs/dbraw/zinc/36/71/94/514367194.db2.gz BFNIBMDBIIXZCS-JSGCOSHPSA-N 0 3 357.435 2.992 20 5 FFBDHN COc1cc(CNC[C@H]2NCCc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000414964432 514378088 /nfs/dbraw/zinc/37/80/88/514378088.db2.gz YLTDIXLRHUMNJO-MRXNPFEDSA-N 0 3 357.410 2.589 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN(Cc2ccc3ccccc3c2)C2CC2)c1 ZINC000438828969 514449792 /nfs/dbraw/zinc/44/97/92/514449792.db2.gz IYRUCDATLQAQLF-FQEVSTJZSA-N 0 3 366.421 2.970 20 5 FFBDHN O=C(NCC(F)(F)F)[C@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000428489110 514484029 /nfs/dbraw/zinc/48/40/29/514484029.db2.gz WJEVSIWTMMXQBD-DXTPNHAXSA-N 0 3 357.332 2.608 20 5 FFBDHN CC(C)N1CCC[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000470693025 514577663 /nfs/dbraw/zinc/57/76/63/514577663.db2.gz JOPHYEAOMPPZPI-MRXNPFEDSA-N 0 3 360.458 2.798 20 5 FFBDHN CC(C)NC(=O)c1ccc(NC[C@]2(N(C)C)CCSC2)c([N+](=O)[O-])c1 ZINC000479467570 514594649 /nfs/dbraw/zinc/59/46/49/514594649.db2.gz QEKTVGTTYFTJHL-QGZVFWFLSA-N 0 3 366.487 2.582 20 5 FFBDHN CN(C)Cc1ccc(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000461399295 514595434 /nfs/dbraw/zinc/59/54/34/514595434.db2.gz BGLNMVUKUZMSEO-UHFFFAOYSA-N 0 3 355.394 2.691 20 5 FFBDHN Cc1ccc([C@@H](C)N[C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000497723644 514611122 /nfs/dbraw/zinc/61/11/22/514611122.db2.gz VTHDQBDGZFSUHK-ZXYWRSMDSA-N 0 3 371.441 2.649 20 5 FFBDHN Cn1c(C(=O)N2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000461434743 514617020 /nfs/dbraw/zinc/61/70/20/514617020.db2.gz ZCIHLPUNTABPJA-IAGOWNOFSA-N 0 3 368.437 2.527 20 5 FFBDHN CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475423152 514656422 /nfs/dbraw/zinc/65/64/22/514656422.db2.gz QIZCPRUNFDAFJS-QGZVFWFLSA-N 0 3 369.421 2.707 20 5 FFBDHN COc1cc(CN[C@H](CO)Cc2ccc(C)c(C)c2)c([N+](=O)[O-])cc1OC ZINC000453627742 514736896 /nfs/dbraw/zinc/73/68/96/514736896.db2.gz MSHRFHYRSCLHSX-KRWDZBQOSA-N 0 3 374.437 2.922 20 5 FFBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000508325130 514742790 /nfs/dbraw/zinc/74/27/90/514742790.db2.gz LRWSJRJSWLXWFO-CABCVRRESA-N 0 3 371.441 2.631 20 5 FFBDHN CCCCN1CCCC[C@H]1CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000502713328 514749961 /nfs/dbraw/zinc/74/99/61/514749961.db2.gz WFPMSVSATRXKMV-HNNXBMFYSA-N 0 3 369.487 2.836 20 5 FFBDHN COc1c(C(=O)N2C[C@@H](N(C)C)Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000475801764 514816617 /nfs/dbraw/zinc/81/66/17/514816617.db2.gz RTGNGVJPOKDNPE-AWEZNQCLSA-N 0 3 355.394 2.737 20 5 FFBDHN CCCN(CCN1CCCC1)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000480347193 514928971 /nfs/dbraw/zinc/92/89/71/514928971.db2.gz JNKPIBMGELJZOW-UHFFFAOYSA-N 0 3 350.419 2.943 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467214557 514942838 /nfs/dbraw/zinc/94/28/38/514942838.db2.gz CXSLRMOWDWETAC-ZUZCIYMTSA-N 0 3 352.822 2.530 20 5 FFBDHN Cn1cnc([N+](=O)[O-])c1CN[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000503194243 514952418 /nfs/dbraw/zinc/95/24/18/514952418.db2.gz WBNADXRVWHURFX-SFHVURJKSA-N 0 3 371.485 2.891 20 5 FFBDHN CN(CCOc1ccc(Br)cc1)CCn1cc([N+](=O)[O-])cn1 ZINC000471701786 514985724 /nfs/dbraw/zinc/98/57/24/514985724.db2.gz QUWYWCKIRLZNMU-UHFFFAOYSA-N 0 3 369.219 2.565 20 5 FFBDHN Cc1ccc(C)c(S(=O)(=O)NCC[C@@H](C)N2CCCCC2)c1[N+](=O)[O-] ZINC000480695586 515046567 /nfs/dbraw/zinc/04/65/67/515046567.db2.gz SDMJBSHSZCARSO-OAHLLOKOSA-N 0 3 369.487 2.754 20 5 FFBDHN C[C@@H](NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000467834309 515142434 /nfs/dbraw/zinc/14/24/34/515142434.db2.gz QLPVBRUPAPDUKI-CWTRNNRKSA-N 0 3 368.393 2.500 20 5 FFBDHN COc1cc(CN(CCO)CC2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000485727963 515161241 /nfs/dbraw/zinc/16/12/41/515161241.db2.gz YHOLAHONODLCGN-UHFFFAOYSA-N 0 3 352.431 2.987 20 5 FFBDHN COc1cc(CNC2CCC(O)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491035697 515362729 /nfs/dbraw/zinc/36/27/29/515362729.db2.gz JQLIJBOAKOWLPU-UHFFFAOYSA-N 0 3 360.357 2.640 20 5 FFBDHN O=C(Cc1ccccc1)N1CCC[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000509961087 515383354 /nfs/dbraw/zinc/38/33/54/515383354.db2.gz XJCJQHZJOJQQEE-SFHVURJKSA-N 0 3 353.422 2.918 20 5 FFBDHN COc1cc(CN2CCN(C)CC[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000491152180 515386351 /nfs/dbraw/zinc/38/63/51/515386351.db2.gz YWFNRJFEOIURCU-GFCCVEGCSA-N 0 3 373.400 2.773 20 5 FFBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000486235948 515392638 /nfs/dbraw/zinc/39/26/38/515392638.db2.gz SEFJQGQUCHJCNW-TXEJJXNPSA-N 0 3 355.385 2.795 20 5 FFBDHN COC(=O)c1ccccc1CC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000463224822 515405540 /nfs/dbraw/zinc/40/55/40/515405540.db2.gz XEHIWRQTCKMBCO-UHFFFAOYSA-N 0 3 372.425 2.533 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000491322047 515413368 /nfs/dbraw/zinc/41/33/68/515413368.db2.gz KHODGBBNKRQASE-HXUWFJFHSA-N 0 3 355.438 2.976 20 5 FFBDHN CNc1nc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)ccc1[N+](=O)[O-] ZINC000454372389 515438023 /nfs/dbraw/zinc/43/80/23/515438023.db2.gz ILOFORSZODPUCI-KRWDZBQOSA-N 0 3 369.425 2.598 20 5 FFBDHN CNc1nc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000454512877 515543604 /nfs/dbraw/zinc/54/36/04/515543604.db2.gz CXKYCLAHBBYAKB-INIZCTEOSA-N 0 3 369.425 2.598 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@H](COc3ccccc3)C2)c1 ZINC000505861691 515699719 /nfs/dbraw/zinc/69/97/19/515699719.db2.gz FIXCDQCAKZAZGB-WMZOPIPTSA-N 0 3 372.421 2.735 20 5 FFBDHN C[C@H]1[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000494040591 515718719 /nfs/dbraw/zinc/71/87/19/515718719.db2.gz YDJCFHMSDKABAH-KXBFYZLASA-N 0 3 369.421 2.753 20 5 FFBDHN Cc1ccc(S(=O)(=O)NC[C@@H](C2CCCCC2)N(C)C)c([N+](=O)[O-])c1 ZINC000473903404 515795967 /nfs/dbraw/zinc/79/59/67/515795967.db2.gz HGXXVUGOHQRNHR-INIZCTEOSA-N 0 3 369.487 2.692 20 5 FFBDHN CNc1nc(C(=O)N(CCN(C)C)CC2CCCCC2)ccc1[N+](=O)[O-] ZINC000454965973 515864111 /nfs/dbraw/zinc/86/41/11/515864111.db2.gz QLRPGYPBEFMDJL-UHFFFAOYSA-N 0 3 363.462 2.616 20 5 FFBDHN COc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000474091543 515877299 /nfs/dbraw/zinc/87/72/99/515877299.db2.gz XIPRCMSZNPLKSY-UHFFFAOYSA-N 0 3 369.421 2.998 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1cnccc1C ZINC000483010448 515881153 /nfs/dbraw/zinc/88/11/53/515881153.db2.gz BMGFMBAQSJXOHO-UHFFFAOYSA-N 0 3 358.398 2.767 20 5 FFBDHN CC(C)(C)CC(C)(C)N1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000455034218 515909078 /nfs/dbraw/zinc/90/90/78/515909078.db2.gz MMYMHIVCXQFLKX-UHFFFAOYSA-N 0 3 363.462 2.776 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000487838945 516000101 /nfs/dbraw/zinc/00/01/01/516000101.db2.gz OGNRVOFGNIAEHK-FZMZJTMJSA-N 0 3 354.838 2.573 20 5 FFBDHN C[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000488093075 516114032 /nfs/dbraw/zinc/11/40/32/516114032.db2.gz GCEAHFFWXAHQML-CRAIPNDOSA-N 0 3 369.469 2.605 20 5 FFBDHN C[C@@H]1CN(CCCCNc2c3ccccc3ncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000488112778 516120860 /nfs/dbraw/zinc/12/08/60/516120860.db2.gz IJXLEUAWJUFKJQ-GASCZTMLSA-N 0 3 358.442 2.866 20 5 FFBDHN CCN1CC[C@H](N(C)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[C@H]1C ZINC000495473971 516175372 /nfs/dbraw/zinc/17/53/72/516175372.db2.gz KSTISRNWMBNZTH-CABCVRRESA-N 0 3 371.441 2.725 20 5 FFBDHN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(CN2CCC(O)CC2)c1 ZINC000488662007 516283660 /nfs/dbraw/zinc/28/36/60/516283660.db2.gz UAEVOJUKVVHTDX-UHFFFAOYSA-N 0 3 369.421 2.733 20 5 FFBDHN CSC1(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCN(C)CC1 ZINC000460974223 516295576 /nfs/dbraw/zinc/29/55/76/516295576.db2.gz SAGQYQPNDRSAGS-UHFFFAOYSA-N 0 3 362.455 2.633 20 5 FFBDHN O=[N+]([O-])c1ccn(C2CCN(CCOCCOc3ccccc3)CC2)n1 ZINC000488765195 516303217 /nfs/dbraw/zinc/30/32/17/516303217.db2.gz HOHYYRKWCQBJNL-UHFFFAOYSA-N 0 3 360.414 2.524 20 5 FFBDHN Cc1ccc(CNCCCN2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000512912315 516410740 /nfs/dbraw/zinc/41/07/40/516410740.db2.gz CLEZXJXTOLMNLL-UHFFFAOYSA-N 0 3 353.378 2.679 20 5 FFBDHN Cn1cnc(CCNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)n1 ZINC000531523972 516507657 /nfs/dbraw/zinc/50/76/57/516507657.db2.gz GSEXDWBBMQYAIN-UHFFFAOYSA-N 0 3 371.372 2.987 20 5 FFBDHN CN(C)C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000557956718 516524057 /nfs/dbraw/zinc/52/40/57/516524057.db2.gz ZVWSOBSOBBQXFQ-KRWDZBQOSA-N 0 3 361.373 2.532 20 5 FFBDHN CCCN(CCN1CCCCC1)c1nccc(C(=O)OCC)c1[N+](=O)[O-] ZINC000561379430 516551916 /nfs/dbraw/zinc/55/19/16/516551916.db2.gz RQNKROWLUZROGP-UHFFFAOYSA-N 0 3 364.446 2.869 20 5 FFBDHN CN1CCN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000551402252 516694454 /nfs/dbraw/zinc/69/44/54/516694454.db2.gz ZZGNKEGQHUJOKN-GOSISDBHSA-N 0 3 355.438 2.832 20 5 FFBDHN CC[C@H](NC[C@@H](O)COc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000531951607 516728906 /nfs/dbraw/zinc/72/89/06/516728906.db2.gz YMXQWHJLVSETPT-WBVHZDCISA-N 0 3 374.393 2.804 20 5 FFBDHN Cc1c(Br)c(N(C)[C@@H]2CCN(C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000544393285 516739596 /nfs/dbraw/zinc/73/95/96/516739596.db2.gz FNFIUCLANFGYRZ-MWLCHTKSSA-N 0 3 357.252 2.837 20 5 FFBDHN COc1ccc(NC(=O)N[C@H](C)CN2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000541100986 516876174 /nfs/dbraw/zinc/87/61/74/516876174.db2.gz LXFVLMXPECMTQV-QWHCGFSZSA-N 0 3 350.419 2.845 20 5 FFBDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514208513 516903230 /nfs/dbraw/zinc/90/32/30/516903230.db2.gz MSWZHLFAPCCUSS-GFCCVEGCSA-N 0 3 369.368 2.943 20 5 FFBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514212110 516904984 /nfs/dbraw/zinc/90/49/84/516904984.db2.gz BFVYBZUIPCHYJY-ZYHUDNBSSA-N 0 3 357.357 2.608 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000525385268 517024999 /nfs/dbraw/zinc/02/49/99/517024999.db2.gz SLPUPTWZJHSQSH-OAHLLOKOSA-N 0 3 356.426 2.670 20 5 FFBDHN CCOc1ccc(C(=O)Nc2ccnc(OCCN(C)C)c2)cc1[N+](=O)[O-] ZINC000537329741 517145600 /nfs/dbraw/zinc/14/56/00/517145600.db2.gz FJQNWDGQENQXEX-UHFFFAOYSA-N 0 3 374.397 2.581 20 5 FFBDHN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H](N2CCCC2)C1 ZINC000541851578 517251345 /nfs/dbraw/zinc/25/13/45/517251345.db2.gz IVBDWRXQZYZCHR-HNNXBMFYSA-N 0 3 366.849 2.670 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCNCc2ccc(Cl)cc2-n2cncn2)cc1 ZINC000525985564 517276091 /nfs/dbraw/zinc/27/60/91/517276091.db2.gz FPDGQBVZGXLIRR-UHFFFAOYSA-N 0 3 373.800 2.998 20 5 FFBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@H](O)COc1cccc2[nH]ccc21 ZINC000548934231 517312595 /nfs/dbraw/zinc/31/25/95/517312595.db2.gz XFPXIEAISVUTKJ-KRWDZBQOSA-N 0 3 369.421 2.990 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000520274586 517327263 /nfs/dbraw/zinc/32/72/63/517327263.db2.gz MRKPMEXVRJFTEY-RDTXWAMCSA-N 0 3 369.421 2.996 20 5 FFBDHN CN1CC[C@H](c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)C1 ZINC000545762748 517358887 /nfs/dbraw/zinc/35/88/87/517358887.db2.gz PYIWRHFHAQMJOL-JTQLQIEISA-N 0 3 367.203 2.750 20 5 FFBDHN CCc1ccc([C@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])N(CC)CC)cc1 ZINC000556321811 517370099 /nfs/dbraw/zinc/37/00/99/517370099.db2.gz IBSGQVKQUSLAJH-INIZCTEOSA-N 0 3 359.430 2.693 20 5 FFBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN(Cc1cccnc1)C1CC1 ZINC000537861044 517383962 /nfs/dbraw/zinc/38/39/62/517383962.db2.gz ZMJSMDRRNWODMJ-UHFFFAOYSA-N 0 3 368.393 2.952 20 5 FFBDHN CN(C)C(=O)C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000552913630 517441102 /nfs/dbraw/zinc/44/11/02/517441102.db2.gz OTVGODSUUAROKH-SFHVURJKSA-N 0 3 357.410 2.783 20 5 FFBDHN C[C@@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@@H](C)S1 ZINC000533428224 517458754 /nfs/dbraw/zinc/45/87/54/517458754.db2.gz HORTZZVBUADNPY-VXGBXAGGSA-N 0 3 351.428 2.719 20 5 FFBDHN COc1cc(C[C@@H](CO)CNCc2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC000538412191 517609746 /nfs/dbraw/zinc/60/97/46/517609746.db2.gz KCVVKJCLYKFLEW-MRXNPFEDSA-N 0 3 360.410 2.553 20 5 FFBDHN Cc1c(Br)c(N2CC[C@]3(C2)CCCN(C)C3)ncc1[N+](=O)[O-] ZINC000549576843 517624950 /nfs/dbraw/zinc/62/49/50/517624950.db2.gz DCFHCFRBFQCFQP-OAHLLOKOSA-N 0 3 369.263 2.983 20 5 FFBDHN C[C@H]1C[C@@H](N(C)C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000546540142 517716001 /nfs/dbraw/zinc/71/60/01/517716001.db2.gz SRKHJYDXAPSIHT-STQMWFEESA-N 0 3 351.422 2.953 20 5 FFBDHN Cc1ccccc1[C@H]([C@H](C)Nc1nccc(C(N)=O)c1[N+](=O)[O-])N(C)C ZINC000516520876 517721643 /nfs/dbraw/zinc/72/16/43/517721643.db2.gz VRAVGXJJVJJRSQ-WFASDCNBSA-N 0 3 357.414 2.500 20 5 FFBDHN CCOc1cc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)ccc1[N+](=O)[O-] ZINC000538937459 517852718 /nfs/dbraw/zinc/85/27/18/517852718.db2.gz IQFLLROWCMTRFT-KRWDZBQOSA-N 0 3 362.474 2.598 20 5 FFBDHN CC(C)(CO)[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000550102269 517862618 /nfs/dbraw/zinc/86/26/18/517862618.db2.gz KDBNFWCKPTXBDU-OAHLLOKOSA-N 0 3 355.822 2.573 20 5 FFBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000563417333 517892358 /nfs/dbraw/zinc/89/23/58/517892358.db2.gz LUCJDXNTBIANLB-UWVAXJGDSA-N 0 3 367.449 2.807 20 5 FFBDHN C[C@@H](CCC1CCCC1)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000539074220 517905420 /nfs/dbraw/zinc/90/54/20/517905420.db2.gz XHPDDVDBSKPRPV-AWEZNQCLSA-N 0 3 369.487 2.822 20 5 FFBDHN CCOc1ccc([C@H](C)NCCn2cc([N+](=O)[O-])ccc2=O)cc1OC ZINC000539266294 517973123 /nfs/dbraw/zinc/97/31/23/517973123.db2.gz LLBWYLORWWQORY-ZDUSSCGKSA-N 0 3 361.398 2.515 20 5 FFBDHN C[C@@H]1CCCN(c2ccc(C(=O)NC[C@@H]3CCCN3C)cc2[N+](=O)[O-])C1 ZINC000517087426 518018280 /nfs/dbraw/zinc/01/82/80/518018280.db2.gz QETXPKMIUFXJHA-ZBFHGGJFSA-N 0 3 360.458 2.655 20 5 FFBDHN CN1CC[C@@](O)(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000547284771 518058479 /nfs/dbraw/zinc/05/84/79/518058479.db2.gz JZQLXKJXMJJXNB-QGZVFWFLSA-N 0 3 365.817 2.664 20 5 FFBDHN CN(C)CCNC(=O)c1cccc(CNc2c(F)cccc2[N+](=O)[O-])c1 ZINC000557570768 518083004 /nfs/dbraw/zinc/08/30/04/518083004.db2.gz SCHRHQOVIDHOOM-UHFFFAOYSA-N 0 3 360.389 2.637 20 5 FFBDHN C[C@H]1CCCCN1CCNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000564068062 518292659 /nfs/dbraw/zinc/29/26/59/518292659.db2.gz UEHOMKOGRGYVQJ-AWEZNQCLSA-N 0 3 373.457 2.792 20 5 FFBDHN Cc1cccc(OC[C@@H](C)NC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000584524914 518383810 /nfs/dbraw/zinc/38/38/10/518383810.db2.gz NCDORYRLFLDHHC-CVEARBPZSA-N 0 3 360.410 2.700 20 5 FFBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NCc1cc(=O)n2ccccc2n1 ZINC000578875310 518416136 /nfs/dbraw/zinc/41/61/36/518416136.db2.gz OJXHBECUTCKCDO-CQSZACIVSA-N 0 3 352.394 2.714 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@H](c2cccc(F)c2)C1 ZINC000564607401 518523156 /nfs/dbraw/zinc/52/31/56/518523156.db2.gz LLXDGBDWBDVREU-DOTOQJQBSA-N 0 3 360.385 2.963 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H](c2cccc(F)c2)C1 ZINC000564607402 518523365 /nfs/dbraw/zinc/52/33/65/518523365.db2.gz LLXDGBDWBDVREU-NVXWUHKLSA-N 0 3 360.385 2.963 20 5 FFBDHN CCO[C@H]1C[C@@H](NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C12CCCC2 ZINC000582234056 518652638 /nfs/dbraw/zinc/65/26/38/518652638.db2.gz QIGJZMHGAXUEBJ-SJORKVTESA-N 0 3 361.442 2.885 20 5 FFBDHN N[C@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000567882083 518765155 /nfs/dbraw/zinc/76/51/55/518765155.db2.gz CWXFPXUOOWRHRB-QGZVFWFLSA-N 0 3 368.437 2.627 20 5 FFBDHN CC(=O)N1C[C@@H]2CCC[C@H](NCc3c(Cl)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000588979410 518887904 /nfs/dbraw/zinc/88/79/04/518887904.db2.gz RSNAEOZNOMPZQB-BJJXKVORSA-N 0 3 351.834 2.985 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)n1 ZINC000582853305 518954743 /nfs/dbraw/zinc/95/47/43/518954743.db2.gz XPYWFNXZHXMRGP-JHJVBQTASA-N 0 3 350.419 2.555 20 5 FFBDHN Cc1ccc(C(=O)N(C)CCCN(C)Cc2ccncc2)cc1[N+](=O)[O-] ZINC000577211050 518968049 /nfs/dbraw/zinc/96/80/49/518968049.db2.gz MNDRMOPLFHIJSI-UHFFFAOYSA-N 0 3 356.426 2.892 20 5 FFBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(CCN2CCCCCC2)C2CCC2)n1 ZINC000571202537 518976655 /nfs/dbraw/zinc/97/66/55/518976655.db2.gz ICOMNYVAXRVXQK-UHFFFAOYSA-N 0 3 363.462 2.682 20 5 FFBDHN Cc1ccc(CCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000571397031 519076246 /nfs/dbraw/zinc/07/62/46/519076246.db2.gz UKSGOFUVJRJQIW-UHFFFAOYSA-N 0 3 362.451 2.818 20 5 FFBDHN CCN1CCN(CC(C)(C)Nc2ccc([N+](=O)[O-])c(OC(C)C)n2)CC1 ZINC000583214476 519133082 /nfs/dbraw/zinc/13/30/82/519133082.db2.gz PYBAIWDQYAZAEF-UHFFFAOYSA-N 0 3 365.478 2.605 20 5 FFBDHN COc1cncc(/C=C/CCN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000571758728 519261610 /nfs/dbraw/zinc/26/16/10/519261610.db2.gz UJHZLZVTXFAKMK-WPTTZPOMSA-N 0 3 369.425 2.983 20 5 FFBDHN CSCc1cccc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000568873916 519261778 /nfs/dbraw/zinc/26/17/78/519261778.db2.gz PCJHKCMDGHNPBL-KRWDZBQOSA-N 0 3 362.451 2.987 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(F)(F)[C@H](C)C1 ZINC000568935199 519290864 /nfs/dbraw/zinc/29/08/64/519290864.db2.gz LSKXWICERRDFHY-LLVKDONJSA-N 0 3 357.357 2.909 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2ccc(F)c(Cl)c2)c1 ZINC000583559944 519311372 /nfs/dbraw/zinc/31/13/72/519311372.db2.gz PICXENWFPUWTIF-CYBMUJFWSA-N 0 3 354.765 2.917 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2C[C@H]2C2CCCCC2)cc1 ZINC000566118338 519313873 /nfs/dbraw/zinc/31/38/73/519313873.db2.gz UPTFSVNORADEMM-IRXDYDNUSA-N 0 3 352.456 2.927 20 5 FFBDHN CCN1CCN(C[C@@H](C)CNc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000580771127 519350909 /nfs/dbraw/zinc/35/09/09/519350909.db2.gz XDQOTUGJFYPYIL-HNNXBMFYSA-N 0 3 361.490 2.554 20 5 FFBDHN Cc1ccc(C[C@@H](CO)NCc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1C ZINC000590781502 519366318 /nfs/dbraw/zinc/36/63/18/519366318.db2.gz DGVIWWDDPDMAIB-KRWDZBQOSA-N 0 3 372.421 2.676 20 5 FFBDHN COc1ccccc1[C@]1(C)C[C@H]1NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000581126782 519536334 /nfs/dbraw/zinc/53/63/34/519536334.db2.gz DDIVRBWQBCIOTB-YSGRDPCXSA-N 0 3 372.421 2.663 20 5 FFBDHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1cc2ccccc2c2cccnc12 ZINC000569523903 519592429 /nfs/dbraw/zinc/59/24/29/519592429.db2.gz GYQBYSUFRHMLEG-JOCHJYFZSA-N 0 3 361.445 2.575 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H](c2cccnc2)C1 ZINC000602856888 519929396 /nfs/dbraw/zinc/92/93/96/519929396.db2.gz STXWIYJJNHQBLB-IAGOWNOFSA-N 0 3 357.410 2.609 20 5 FFBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000594417292 519951937 /nfs/dbraw/zinc/95/19/37/519951937.db2.gz BKYCBSTXESAQEC-IAGOWNOFSA-N 0 3 370.409 2.595 20 5 FFBDHN NC(=O)c1ccccc1N1CC[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000594494949 520001561 /nfs/dbraw/zinc/00/15/61/520001561.db2.gz INVIWTITIQWELS-SUMWQHHRSA-N 0 3 366.421 2.550 20 5 FFBDHN Cc1ccc(CC2CN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000594733621 520121264 /nfs/dbraw/zinc/12/12/64/520121264.db2.gz ZYDPQJGPLUBJGF-GOSISDBHSA-N 0 3 356.422 2.817 20 5 FFBDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000608854649 520145001 /nfs/dbraw/zinc/14/50/01/520145001.db2.gz WDENLVFYQLHPSD-GFCCVEGCSA-N 0 3 363.414 2.564 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CC[N@@H+](C(C)(C)C)C2)c1C ZINC000594793006 520159647 /nfs/dbraw/zinc/15/96/47/520159647.db2.gz RWJVWMOIJIJXCJ-CQSZACIVSA-N 0 3 369.487 2.610 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CC[N@H+](C(C)(C)C)C2)c1C ZINC000594793006 520159655 /nfs/dbraw/zinc/15/96/55/520159655.db2.gz RWJVWMOIJIJXCJ-CQSZACIVSA-N 0 3 369.487 2.610 20 5 FFBDHN COc1cc(CNCC2(O)CCC(F)(F)CC2)c([N+](=O)[O-])cc1OC ZINC000595001605 520250770 /nfs/dbraw/zinc/25/07/70/520250770.db2.gz XQYIFGCPLIUSDV-UHFFFAOYSA-N 0 3 360.357 2.642 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000595022703 520260416 /nfs/dbraw/zinc/26/04/16/520260416.db2.gz VBBOCMZCAMFIKB-QGTPRVQTSA-N 0 3 363.458 2.897 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1ccnc(OCCN(C)C)c1 ZINC000595036988 520265410 /nfs/dbraw/zinc/26/54/10/520265410.db2.gz ZACGCCMPWVGAQR-CQSZACIVSA-N 0 3 374.441 2.790 20 5 FFBDHN O=C(NC[C@@H]1CCN1C1CCCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000600472238 520278581 /nfs/dbraw/zinc/27/85/81/520278581.db2.gz NJTCQVRCHYNDJU-SFHVURJKSA-N 0 3 369.425 2.527 20 5 FFBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1c(C2CC2)cnn1C ZINC000595076118 520282977 /nfs/dbraw/zinc/28/29/77/520282977.db2.gz FERXQHQRDWHFRY-LBPRGKRZSA-N 0 3 357.414 2.713 20 5 FFBDHN CC(C)[C@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCN1 ZINC000592241447 520283782 /nfs/dbraw/zinc/28/37/82/520283782.db2.gz BXVNMIDDLOKLFY-CQSZACIVSA-N 0 3 360.439 2.788 20 5 FFBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000597856802 520284239 /nfs/dbraw/zinc/28/42/39/520284239.db2.gz AJQKETSZHIJBRW-CYBMUJFWSA-N 0 3 372.425 2.511 20 5 FFBDHN COc1ccc(CC(=O)NC[C@H](C)N(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000609506092 520336553 /nfs/dbraw/zinc/33/65/53/520336553.db2.gz CHDQDYDJJSWXSD-HNNXBMFYSA-N 0 3 371.437 2.783 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2cccc(F)c2)[C@H](N)C1 ZINC000595225772 520360702 /nfs/dbraw/zinc/36/07/02/520360702.db2.gz OBEIOHKPJKGNKQ-NVXWUHKLSA-N 0 3 373.384 2.700 20 5 FFBDHN NC1(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC2(CCC2)C1 ZINC000595249997 520370622 /nfs/dbraw/zinc/37/06/22/520370622.db2.gz OQXSHINMALDJNT-UHFFFAOYSA-N 0 3 359.426 2.626 20 5 FFBDHN COc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc([N+](=O)[O-])c1C ZINC000595258678 520376987 /nfs/dbraw/zinc/37/69/87/520376987.db2.gz VZKQFONWIFLODY-GOSISDBHSA-N 0 3 371.393 2.825 20 5 FFBDHN CC1CCC(N2CCN(C(=O)COc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000609653108 520396338 /nfs/dbraw/zinc/39/63/38/520396338.db2.gz YWBUQTFNHPLMBL-UHFFFAOYSA-N 0 3 361.442 2.697 20 5 FFBDHN O=C(NCC1CCN(Cc2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000598061424 520404437 /nfs/dbraw/zinc/40/44/37/520404437.db2.gz DVKOQYGSJKVTIH-UHFFFAOYSA-N 0 3 372.400 2.771 20 5 FFBDHN COc1ccc(CNC(=O)NCC(C)(C)N2CCCCC2)cc1[N+](=O)[O-] ZINC000604081794 520445391 /nfs/dbraw/zinc/44/53/91/520445391.db2.gz OQOAQBYSWWOTIJ-UHFFFAOYSA-N 0 3 364.446 2.667 20 5 FFBDHN Cc1c(NC(=O)[C@H](C)N[C@@H](CO)[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000613389180 520479338 /nfs/dbraw/zinc/47/93/38/520479338.db2.gz KHAFNDDJALRQHU-YEWWUXTCSA-N 0 3 371.437 2.984 20 5 FFBDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000598195956 520486190 /nfs/dbraw/zinc/48/61/90/520486190.db2.gz XSIRHTZOMYREQK-INIZCTEOSA-N 0 3 368.437 2.566 20 5 FFBDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000598195840 520486768 /nfs/dbraw/zinc/48/67/68/520486768.db2.gz UJQLNCTVXARQPG-IBGZPJMESA-N 0 3 353.422 2.984 20 5 FFBDHN CCOC(=O)c1ccnc(NCCN2[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000609963822 520492397 /nfs/dbraw/zinc/49/23/97/520492397.db2.gz PXQXXWYVIQECFR-BETUJISGSA-N 0 3 350.419 2.841 20 5 FFBDHN Cn1cc([C@@H](NCCCOc2ccc([N+](=O)[O-])cc2)C2(CO)CCC2)cn1 ZINC000595498883 520509723 /nfs/dbraw/zinc/50/97/23/520509723.db2.gz KFJSEVVIJGIEHW-GOSISDBHSA-N 0 3 374.441 2.591 20 5 FFBDHN COc1cc(CNC2(CCO)CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000595509899 520518637 /nfs/dbraw/zinc/51/86/37/520518637.db2.gz YHGKLMKHCVEQMV-UHFFFAOYSA-N 0 3 360.357 2.990 20 5 FFBDHN CCN1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000595536195 520534579 /nfs/dbraw/zinc/53/45/79/520534579.db2.gz OPILITPXVQUEKE-GFCCVEGCSA-N 0 3 354.838 2.603 20 5 FFBDHN COc1cccc(CCCN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000610212771 520581700 /nfs/dbraw/zinc/58/17/00/520581700.db2.gz ZQOVTSSVLONCNL-UHFFFAOYSA-N 0 3 356.426 2.753 20 5 FFBDHN O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000604535025 520592603 /nfs/dbraw/zinc/59/26/03/520592603.db2.gz PBQLIZKSJCUWGX-QGZVFWFLSA-N 0 3 354.410 2.518 20 5 FFBDHN COc1cc(C(=O)NC[C@@H]2CN(C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000592883334 520632904 /nfs/dbraw/zinc/63/29/04/520632904.db2.gz ZFBWEGIEWZBCKM-SJORKVTESA-N 0 3 369.421 2.679 20 5 FFBDHN O=[N+]([O-])c1ccc2nccc(N3CCN(CC4CCOCC4)CC3)c2c1 ZINC000601118145 520645693 /nfs/dbraw/zinc/64/56/93/520645693.db2.gz IEGNFDOFAAOUNV-UHFFFAOYSA-N 0 3 356.426 2.692 20 5 FFBDHN COC[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000595683321 520646355 /nfs/dbraw/zinc/64/63/55/520646355.db2.gz GOLPVSRPAWFPQM-QGZVFWFLSA-N 0 3 373.409 2.909 20 5 FFBDHN COc1cc(CN[C@@H]2CCC[C@H]2Cc2cnn(C)c2)c([N+](=O)[O-])cc1F ZINC000595774019 520715200 /nfs/dbraw/zinc/71/52/00/520715200.db2.gz ZDLLPEUQIHXBON-XJKSGUPXSA-N 0 3 362.405 2.977 20 5 FFBDHN C[C@H](CN1CCC(C)CC1)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000595785921 520723387 /nfs/dbraw/zinc/72/33/87/520723387.db2.gz JZWPDJNLPNEJCU-MRXNPFEDSA-N 0 3 362.474 2.899 20 5 FFBDHN COC(=O)c1ccnc(N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000598613954 520744668 /nfs/dbraw/zinc/74/46/68/520744668.db2.gz ZYUOWPVQFKBJDM-HIFRSBDPSA-N 0 3 370.409 2.851 20 5 FFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C[C@H]1C ZINC000601355133 520752118 /nfs/dbraw/zinc/75/21/18/520752118.db2.gz KNLQFJJKOPTKFR-CHWSQXEVSA-N 0 3 373.450 2.536 20 5 FFBDHN Cc1cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)N3C(C)C)c([N+](=O)[O-])s1 ZINC000601361021 520755230 /nfs/dbraw/zinc/75/52/30/520755230.db2.gz AZHNZUSEHUZFHP-OLZOCXBDSA-N 0 3 373.500 2.601 20 5 FFBDHN O=C(Nc1ccc([N+](=O)[O-])cc1F)C(C[C@H]1COCCO1)C(F)(F)F ZINC000598807789 520852373 /nfs/dbraw/zinc/85/23/73/520852373.db2.gz LNIHNBAIOWGMDM-UWVGGRQHSA-N 0 3 366.267 2.656 20 5 FFBDHN COc1cc(CN(C)C)ccc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000601622813 520870839 /nfs/dbraw/zinc/87/08/39/520870839.db2.gz VRIJDJRBVBJOKF-UHFFFAOYSA-N 0 3 359.382 2.683 20 5 FFBDHN O=C(NCC1CCN(Cc2ccncc2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000601669299 520896036 /nfs/dbraw/zinc/89/60/36/520896036.db2.gz SPLOASQZOHKYEM-UHFFFAOYSA-N 0 3 372.400 2.771 20 5 FFBDHN CCN1CCN(CCCNc2cc(OC)c([N+](=O)[O-])cc2Cl)CC1 ZINC000596073675 520896264 /nfs/dbraw/zinc/89/62/64/520896264.db2.gz LFUWWMKRRLEJAQ-UHFFFAOYSA-N 0 3 356.854 2.696 20 5 FFBDHN CN(C)CCOc1ccc(CNc2c(Cl)cncc2[N+](=O)[O-])cc1 ZINC000596080192 520901044 /nfs/dbraw/zinc/90/10/44/520901044.db2.gz BBGGIIPMEVYSKS-UHFFFAOYSA-N 0 3 350.806 2.618 20 5 FFBDHN CC(C)c1n[nH]c(C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000610923692 520907181 /nfs/dbraw/zinc/90/71/81/520907181.db2.gz WOYVWPQHZNKFCR-HNNXBMFYSA-N 0 3 371.441 2.788 20 5 FFBDHN CC(C)c1[nH]nc(C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000610923692 520907184 /nfs/dbraw/zinc/90/71/84/520907184.db2.gz WOYVWPQHZNKFCR-HNNXBMFYSA-N 0 3 371.441 2.788 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000593336210 520918745 /nfs/dbraw/zinc/91/87/45/520918745.db2.gz DUXQJPILEBUXTR-HXUWFJFHSA-N 0 3 369.421 2.998 20 5 FFBDHN CCN1CCN([C@@H]2CCN(c3ccc(C(F)(F)F)c([N+](=O)[O-])c3)C2)CC1 ZINC000596124923 520927879 /nfs/dbraw/zinc/92/78/79/520927879.db2.gz ZXNIABFNSLGWOP-CQSZACIVSA-N 0 3 372.391 2.830 20 5 FFBDHN COc1cccc(C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000618222351 520950324 /nfs/dbraw/zinc/95/03/24/520950324.db2.gz XJERMVIMRZWJAX-MRXNPFEDSA-N 0 3 369.421 2.950 20 5 FFBDHN COc1cc(NCCN2CCN(C)C(C)(C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596223588 520979856 /nfs/dbraw/zinc/97/98/56/520979856.db2.gz SDEZDXCPGONFAK-UHFFFAOYSA-N 0 3 356.854 2.695 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596256892 520997684 /nfs/dbraw/zinc/99/76/84/520997684.db2.gz IDIGMUUTCXQDBQ-OAHLLOKOSA-N 0 3 368.437 2.652 20 5 FFBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1CN1CCCCC1 ZINC000611155701 521013816 /nfs/dbraw/zinc/01/38/16/521013816.db2.gz ORPSZMPQMHXHOT-GOSISDBHSA-N 0 3 360.458 2.797 20 5 FFBDHN Cc1cnc(N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)c([N+](=O)[O-])c1 ZINC000593495821 521031830 /nfs/dbraw/zinc/03/18/30/521031830.db2.gz JWBDBRXAJQZSQV-RTBURBONSA-N 0 3 368.437 2.778 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCO[C@@H](C(F)F)CC1 ZINC000601971652 521048959 /nfs/dbraw/zinc/04/89/59/521048959.db2.gz DHMWTDXJNWNXMZ-CQSZACIVSA-N 0 3 357.357 2.588 20 5 FFBDHN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NC[C@@H]1CCN1C1CCCC1 ZINC000599164088 521065719 /nfs/dbraw/zinc/06/57/19/521065719.db2.gz JJINESOOVLGVFW-SFHVURJKSA-N 0 3 374.485 2.856 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CN1CC[C@H]3[C@@H](CCCN3C3CC3)C1)OCCO2 ZINC000611287367 521081892 /nfs/dbraw/zinc/08/18/92/521081892.db2.gz ZUDJVJXEWWGKGD-YOEHRIQHSA-N 0 3 373.453 2.815 20 5 FFBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599393407 521193568 /nfs/dbraw/zinc/19/35/68/521193568.db2.gz HZHLHBVKKOHGNX-LLVKDONJSA-N 0 3 368.231 2.571 20 5 FFBDHN CN(CCN1CCCCC1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000593885046 521273378 /nfs/dbraw/zinc/27/33/78/521273378.db2.gz ZRRSADBXKKSJKG-UHFFFAOYSA-N 0 3 374.485 2.756 20 5 FFBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccc4nccnc4c3)C2)nc1 ZINC000602471612 521362692 /nfs/dbraw/zinc/36/26/92/521362692.db2.gz FHMJLAOVUOHJEA-AWEZNQCLSA-N 0 3 350.382 2.619 20 5 FFBDHN CC(C)(CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)N1CCOCC1 ZINC000602477663 521367935 /nfs/dbraw/zinc/36/79/35/521367935.db2.gz SAUWNKJNIIKZHO-UHFFFAOYSA-N 0 3 363.458 2.549 20 5 FFBDHN CCC1(N2CCOCC2)CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000599663116 521374790 /nfs/dbraw/zinc/37/47/90/521374790.db2.gz BYJMEZSCPTZWRF-UHFFFAOYSA-N 0 3 351.422 2.811 20 5 FFBDHN CCN1CCN([C@H](C)CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602513226 521388538 /nfs/dbraw/zinc/38/85/38/521388538.db2.gz AUBRRIIWPDPMGK-CYBMUJFWSA-N 0 3 374.407 2.729 20 5 FFBDHN Cc1ccc2nc(CNC3CCN(c4ccc([N+](=O)[O-])nc4)CC3)cn2c1 ZINC000602549599 521406399 /nfs/dbraw/zinc/40/63/99/521406399.db2.gz ICTKZZDUNOTFJP-UHFFFAOYSA-N 0 3 366.425 2.705 20 5 FFBDHN O=[N+]([O-])c1sc(CN[C@H]2CCN(CC3CC3)C2)cc1Br ZINC000602564005 521413090 /nfs/dbraw/zinc/41/30/90/521413090.db2.gz KHOUFYXPLHOFMK-JTQLQIEISA-N 0 3 360.277 2.993 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000602810250 521545276 /nfs/dbraw/zinc/54/52/76/521545276.db2.gz GFXIQVOHQNUFNJ-INIZCTEOSA-N 0 3 368.441 2.862 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000602845089 521568169 /nfs/dbraw/zinc/56/81/69/521568169.db2.gz GSFUGSRNSOWDHY-UHFFFAOYSA-N 0 3 368.441 2.931 20 5 FFBDHN C[C@@](O)(CO)CNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000619464243 521582425 /nfs/dbraw/zinc/58/24/25/521582425.db2.gz DTHGLOJJWAMKOR-KRWDZBQOSA-N 0 3 366.801 2.873 20 5 FFBDHN CC[C@H]1CN(C)CCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000619566971 521773778 /nfs/dbraw/zinc/77/37/78/521773778.db2.gz DRCOALBQGRNWFD-INIZCTEOSA-N 0 3 360.458 2.751 20 5 FFBDHN O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000823648322 606996420 /nfs/dbraw/zinc/99/64/20/606996420.db2.gz UQETVSDOJHFLPM-KRWDZBQOSA-N 0 3 364.409 2.886 20 5 FFBDHN O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000823648322 606996422 /nfs/dbraw/zinc/99/64/22/606996422.db2.gz UQETVSDOJHFLPM-KRWDZBQOSA-N 0 3 364.409 2.886 20 5 FFBDHN Cc1ccc([C@H](C)[NH2+]CCOc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000826282799 608280416 /nfs/dbraw/zinc/28/04/16/608280416.db2.gz CPTJJHGQLDZZGL-ZDUSSCGKSA-N 0 3 368.397 2.813 20 5 FFBDHN Cc1cnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164901707 721512827 /nfs/dbraw/zinc/51/28/27/721512827.db2.gz YDLPQNDFWUKPEQ-WBVHZDCISA-N 0 3 372.400 2.779 20 5 FFBDHN CN(C[C@H]1CCCN1C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000092627072 728469732 /nfs/dbraw/zinc/46/97/32/728469732.db2.gz OUHWDJZKYJNHDY-LLVKDONJSA-N 0 3 356.220 2.524 20 5 FFBDHN CC[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@H](C)N1 ZINC000856408985 730334369 /nfs/dbraw/zinc/33/43/69/730334369.db2.gz ZXAGGJWICOADBM-WCBMZHEXSA-N 0 3 374.210 2.709 20 5 FFBDHN CCN1CCN([C@@H](C)CNc2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856723593 730350152 /nfs/dbraw/zinc/35/01/52/730350152.db2.gz YCSRDQTYLGPWRL-LBPRGKRZSA-N 0 3 371.279 2.795 20 5 FFBDHN CN1CCN(CC2CN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000858610915 730429889 /nfs/dbraw/zinc/42/98/89/730429889.db2.gz JGFSGZPZDQAYGU-UHFFFAOYSA-N 0 3 359.257 2.585 20 5 FFBDHN CC(C)[C@@H](CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000872020347 731721389 /nfs/dbraw/zinc/72/13/89/731721389.db2.gz GJNAAKDXYZWAGP-WMLDXEAASA-N 0 3 352.454 2.657 20 5 FFBDHN COCCO[C@@H]1COCC[C@@H]1N[C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872063802 731725515 /nfs/dbraw/zinc/72/55/15/731725515.db2.gz SQTKBSMFDWDIGV-VBNZEHGJSA-N 0 3 370.471 2.788 20 5 FFBDHN COCCO[C@@H]1COCC[C@H]1N[C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872063799 731725619 /nfs/dbraw/zinc/72/56/19/731725619.db2.gz SQTKBSMFDWDIGV-APHBMKBZSA-N 0 3 370.471 2.788 20 5 FFBDHN C[C@@H](OC(=O)C1CC[C@@H](C(F)(F)F)NC1=O)c1ccccc1[N+](=O)[O-] ZINC000873578712 731937466 /nfs/dbraw/zinc/93/74/66/731937466.db2.gz KWHFVYPOTOZOSQ-QRTLGDNMSA-N 0 3 360.288 2.656 20 5 FFBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000874825154 732104152 /nfs/dbraw/zinc/10/41/52/732104152.db2.gz WZQRPJNHULKEAN-NEPJUHHUSA-N 0 3 368.231 2.666 20 5 FFBDHN CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000878944464 732619460 /nfs/dbraw/zinc/61/94/60/732619460.db2.gz XBLZAICEDYNOKD-GJZGRUSLSA-N 0 3 361.364 2.587 20 5 FFBDHN O=C(NC[C@@H]1CCN1C1CCOCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000927646680 738765441 /nfs/dbraw/zinc/76/54/41/738765441.db2.gz WFZMMGDMONQNTA-ZDUSSCGKSA-N 0 3 368.821 2.623 20 5 FFBDHN COCCN1CCC(NC(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)CC1 ZINC000888288292 734032326 /nfs/dbraw/zinc/03/23/26/734032326.db2.gz HUQVCXSCOUTBCN-UHFFFAOYSA-N 0 3 370.837 2.789 20 5 FFBDHN COC(=O)c1cnc(CCNCc2ccc([N+](=O)[O-])c(Cl)c2)s1 ZINC000896931089 735188582 /nfs/dbraw/zinc/18/85/82/735188582.db2.gz DJFLYAPTCSLXAI-UHFFFAOYSA-N 0 3 355.803 2.824 20 5 FFBDHN COc1c([O-])ccc(C[N@@H+]2CCC[C@H](C3CCOCC3)C2)c1[N+](=O)[O-] ZINC000897269746 735213667 /nfs/dbraw/zinc/21/36/67/735213667.db2.gz OLFZLWKGGAVDRC-AWEZNQCLSA-N 0 3 350.415 2.948 20 5 FFBDHN COc1c([O-])ccc(C[N@H+]2CCC[C@H](C3CCOCC3)C2)c1[N+](=O)[O-] ZINC000897269746 735213671 /nfs/dbraw/zinc/21/36/71/735213671.db2.gz OLFZLWKGGAVDRC-AWEZNQCLSA-N 0 3 350.415 2.948 20 5 FFBDHN COc1c(O)ccc(CN2CCC[C@H](C3CCOCC3)C2)c1[N+](=O)[O-] ZINC000897269746 735213675 /nfs/dbraw/zinc/21/36/75/735213675.db2.gz OLFZLWKGGAVDRC-AWEZNQCLSA-N 0 3 350.415 2.948 20 5 FFBDHN CCCN(CC)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000752255161 735971151 /nfs/dbraw/zinc/97/11/51/735971151.db2.gz UDGJHMZNVHCSIE-UHFFFAOYSA-N 0 3 363.867 2.567 20 5 FFBDHN C[C@@H]1CN(CCCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000754613914 736179804 /nfs/dbraw/zinc/17/98/04/736179804.db2.gz KQDJJGADFFBKSS-CHWSQXEVSA-N 0 3 352.391 2.804 20 5 FFBDHN O=[N+]([O-])c1cc(Br)ccc1CNC[C@H](O)CCC1(O)CCC1 ZINC000905427838 736339507 /nfs/dbraw/zinc/33/95/07/736339507.db2.gz OFFLAPQHANGHEC-CYBMUJFWSA-N 0 3 373.247 2.503 20 5 FFBDHN CN(C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCN(C2CC2)C1 ZINC000757262651 736399314 /nfs/dbraw/zinc/39/93/14/736399314.db2.gz PHPMWWGUEZUGEF-CQSZACIVSA-N 0 3 352.822 2.626 20 5 FFBDHN CC(=O)N1CC[C@H](CN(C)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000770381695 737620527 /nfs/dbraw/zinc/62/05/27/737620527.db2.gz PGCJSBRWPKNLNN-CYBMUJFWSA-N 0 3 370.247 2.658 20 5 FFBDHN COC(=O)C(C)(C)[C@H]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776597754 738212541 /nfs/dbraw/zinc/21/25/41/738212541.db2.gz MECYMXMUXMJSMG-HOCLYGCPSA-N 0 3 350.415 2.539 20 5 FFBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000923269257 738264113 /nfs/dbraw/zinc/26/41/13/738264113.db2.gz YGVYDNLLHOBHTA-NWDGAFQWSA-N 0 3 355.797 2.625 20 5 FFBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778247730 738366595 /nfs/dbraw/zinc/36/65/95/738366595.db2.gz OCHOVOWCBJAOKI-OLZOCXBDSA-N 0 3 355.385 2.923 20 5 FFBDHN CN1C[C@H]2CCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000931335577 739247353 /nfs/dbraw/zinc/24/73/53/739247353.db2.gz XYGKAMFIFBCQKM-NOZJJQNGSA-N 0 3 369.219 2.525 20 5 FFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCN1CCC[C@@H]1C ZINC000793459918 739783774 /nfs/dbraw/zinc/78/37/74/739783774.db2.gz FUOBPNFPWPJELZ-JTQLQIEISA-N 0 3 370.247 2.880 20 5 FFBDHN COCCN1CC[C@H](Nc2ccc(C)c(Br)c2[N+](=O)[O-])C1 ZINC000804442286 740874488 /nfs/dbraw/zinc/87/44/88/740874488.db2.gz ULRSYVKVJLWCER-NSHDSACASA-N 0 3 358.236 2.798 20 5 FFBDHN COc1ccc(-c2nc(CC(=O)OCC(C)[N+](=O)[O-])cs2)cc1OC ZINC000813111694 741678454 /nfs/dbraw/zinc/67/84/54/741678454.db2.gz WDLKFWVNPIHRBG-SNVBAGLBSA-N 0 3 366.395 2.578 20 5 FFBDHN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813112642 741678512 /nfs/dbraw/zinc/67/85/12/741678512.db2.gz SAFKJQFYANXRGF-VIFPVBQESA-N 0 3 355.753 2.854 20 5 FFBDHN CC(C)N1CCCC[C@H]1COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000837436460 746445557 /nfs/dbraw/zinc/44/55/57/746445557.db2.gz BEFKYOSOKPPSMY-ZDUSSCGKSA-N 0 3 351.359 2.923 20 5 FFBDHN CC(C)N1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000839440592 746828461 /nfs/dbraw/zinc/82/84/61/746828461.db2.gz WCOUTZRIAVOQKZ-LBPRGKRZSA-N 0 3 370.247 2.912 20 5 FFBDHN CN(C)CCN(Cc1ccsc1)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000839453047 746830876 /nfs/dbraw/zinc/83/08/76/746830876.db2.gz GGIFJSJDTORTEF-UHFFFAOYSA-N 0 3 351.403 2.999 20 5 FFBDHN CO[C@](C)([C@@H](C)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000839637526 746877343 /nfs/dbraw/zinc/87/73/43/746877343.db2.gz FARQLZSTBODJHF-QLJPJBMISA-N 0 3 355.822 2.980 20 5 FFBDHN CC(COC(=O)[C@@H](C)CC(=O)c1cccc(Br)c1)[N+](=O)[O-] ZINC000842801968 747692832 /nfs/dbraw/zinc/69/28/32/747692832.db2.gz ODTYBHAICGZBOZ-UWVGGRQHSA-N 0 3 358.188 2.866 20 5 FFBDHN CC([C@H](OC(=O)c1cc([N+](=O)[O-])cn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845875177 748341549 /nfs/dbraw/zinc/34/15/49/748341549.db2.gz MBISPHWFFWVYCI-OTYXRUKQSA-N 0 3 351.290 2.636 20 5 FFBDHN COCc1nc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cs1 ZINC000845878089 748343011 /nfs/dbraw/zinc/34/30/11/748343011.db2.gz TVPSCMNCTLGBMA-YMTOWFKASA-N 0 3 354.359 2.992 20 5 FFBDHN CC([C@@H](OC(=O)c1cn(C(C)(C)C)nn1)c1ccccc1F)[N+](=O)[O-] ZINC000845883298 748343738 /nfs/dbraw/zinc/34/37/38/748343738.db2.gz RQAIMEBTFUUHSP-IINYFYTJSA-N 0 3 350.350 2.736 20 5 FFBDHN C[C@@H]1COCCN1C1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000846912883 748572891 /nfs/dbraw/zinc/57/28/91/748572891.db2.gz PJFJSWVJZKKKPZ-CYBMUJFWSA-N 0 3 353.850 2.933 20 5 FFBDHN CCOc1ccc([C@H](C)NCC[S@](=O)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000850495383 749375231 /nfs/dbraw/zinc/37/52/31/749375231.db2.gz CQXSWUIHYOFJMZ-JUZXBQNTSA-N 0 3 368.377 2.955 20 5 FFBDHN CN(C)Cc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1C(F)(F)F ZINC000894980475 967141044 /nfs/dbraw/zinc/14/10/44/967141044.db2.gz QGDXIUUEWYJLST-UHFFFAOYSA-N 0 3 371.319 2.510 20 5 FFBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000874847386 1013917682 /nfs/dbraw/zinc/91/76/82/1013917682.db2.gz PBMBBLHGKQLCHA-MOPGFXCFSA-N 0 3 372.469 2.894 20 5 FFBDHN C[C@H](CNC(=O)N1CCN(C2CC2)C[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000897064527 973215294 /nfs/dbraw/zinc/21/52/94/973215294.db2.gz YZWKKIVIQPHWLT-HUUCEWRRSA-N 0 3 360.458 2.824 20 5 FFBDHN Cc1ncccc1OC[C@H]1CCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000842173529 976710376 /nfs/dbraw/zinc/71/03/76/976710376.db2.gz RHNAKTPPVQLFDX-MSOLQXFVSA-N 0 3 357.410 2.875 20 5 FFBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000843816121 977307227 /nfs/dbraw/zinc/30/72/27/977307227.db2.gz BFIZYPQXHQXJNF-CHWSQXEVSA-N 0 3 367.421 2.662 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000878178678 1014902118 /nfs/dbraw/zinc/90/21/18/1014902118.db2.gz OMRIJYRDNNOXCE-KRWDZBQOSA-N 0 3 370.409 2.929 20 5 FFBDHN COc1cccc([C@@H](O)C2CCN(CCn3c(C)ncc3[N+](=O)[O-])CC2)c1 ZINC000879065442 1015348135 /nfs/dbraw/zinc/34/81/35/1015348135.db2.gz WGLXOKMHIJXMIG-IBGZPJMESA-N 0 3 374.441 2.554 20 5 FFBDHN O=C(c1cc2ccccc2c2cccnc12)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000673514236 988433688 /nfs/dbraw/zinc/43/36/88/988433688.db2.gz LVZDMHZMZZYRKR-IAGOWNOFSA-N 0 3 361.445 2.669 20 5 FFBDHN Cc1c(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000068084591 991331657 /nfs/dbraw/zinc/33/16/57/991331657.db2.gz ZUIGOERPKCBCHM-RYUDHWBXSA-N 0 3 364.402 2.662 20 5 FFBDHN CN(Cc1ccc2cc[nH]c2c1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000879725282 1015654112 /nfs/dbraw/zinc/65/41/12/1015654112.db2.gz XUEGNDGXMJUWFQ-INIZCTEOSA-N 0 3 355.394 2.948 20 5 FFBDHN O=[N+]([O-])c1ccn(CCN[C@@H](c2ccccc2)[C@H](O)c2ccccc2)n1 ZINC000808788348 994263595 /nfs/dbraw/zinc/26/35/95/994263595.db2.gz LTFGQKWTKDKVSU-RBUKOAKNSA-N 0 3 352.394 2.856 20 5 FFBDHN CC(COC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)[N+](=O)[O-] ZINC000813110568 995625345 /nfs/dbraw/zinc/62/53/45/995625345.db2.gz DOBIJOYZGWHFJC-YOEHRIQHSA-N 0 3 356.378 2.756 20 5 FFBDHN CC(COC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)[N+](=O)[O-] ZINC000813110566 995625716 /nfs/dbraw/zinc/62/57/16/995625716.db2.gz DOBIJOYZGWHFJC-RHSMWYFYSA-N 0 3 356.378 2.756 20 5 FFBDHN Cc1c([N+](=O)[O-])cc(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000730841965 997514415 /nfs/dbraw/zinc/51/44/15/997514415.db2.gz UMGURQGRIHBDEO-TXEJJXNPSA-N 0 3 364.402 2.804 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H]2CCc3ccccc3OC2)c1 ZINC000844322406 997807083 /nfs/dbraw/zinc/80/70/83/997807083.db2.gz CGVJSMUZEVDXQO-INIZCTEOSA-N 0 3 356.378 2.865 20 5 FFBDHN CC([C@@H](OC(=O)CCNC(=O)OC(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845878150 998678068 /nfs/dbraw/zinc/67/80/68/998678068.db2.gz URGPXGPBGCMBCO-XHDPSFHLSA-N 0 3 370.377 2.990 20 5 FFBDHN C[C@H]1CCCN1CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000742242107 999765974 /nfs/dbraw/zinc/76/59/74/999765974.db2.gz SDRSDQZGHJHEDT-HNNXBMFYSA-N 0 3 360.458 2.799 20 5 FFBDHN Cc1ccc(N2CCC[C@H](NC[C@H](O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000743463891 999820090 /nfs/dbraw/zinc/82/00/90/999820090.db2.gz YUGJAAOREQJHGE-OALUTQOASA-N 0 3 369.421 2.722 20 5 FFBDHN CN(C)[C@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)c1ccccc1 ZINC000771499549 1001130012 /nfs/dbraw/zinc/13/00/12/1001130012.db2.gz AQRBMINGQGTCQG-OAHLLOKOSA-N 0 3 371.422 2.632 20 5 FFBDHN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2N(C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000791058118 1002564483 /nfs/dbraw/zinc/56/44/83/1002564483.db2.gz ARQYOVLDJWLOLX-HNNXBMFYSA-N 0 3 364.402 2.662 20 5 FFBDHN COC(=O)[C@@H]1CCCN([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170356038 1003123442 /nfs/dbraw/zinc/12/34/42/1003123442.db2.gz UTDANAVADDMQJE-ZIAGYGMSSA-N 0 3 350.415 2.810 20 5 FFBDHN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000804812901 1003859505 /nfs/dbraw/zinc/85/95/05/1003859505.db2.gz MKQZDQKRGJVWIW-JSGCOSHPSA-N 0 3 365.405 2.974 20 5 FFBDHN Cc1ccc([C@@H](CNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)N(C)C)cc1 ZINC000104149078 1004436145 /nfs/dbraw/zinc/43/61/45/1004436145.db2.gz OASLMMVGLPHHMT-QGZVFWFLSA-N 0 3 356.426 2.827 20 5 FFBDHN CC(=O)c1ccc([N+](=O)[O-])cc1NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000808014203 1004738556 /nfs/dbraw/zinc/73/85/56/1004738556.db2.gz GIOHPHQYWUMUPY-GOSISDBHSA-N 0 3 369.421 2.976 20 5 FFBDHN COc1ccc(N2C[C@H](N[C@H](C)c3ccc(N)c([N+](=O)[O-])c3)CC2=O)cc1 ZINC000850516888 1005819877 /nfs/dbraw/zinc/81/98/77/1005819877.db2.gz ZBZSZKBEZWDAFM-TZMCWYRMSA-N 0 3 370.409 2.642 20 5 FFBDHN C[NH+](C)C1CCN(c2ccc(Nc3cc[n-]c(=O)c3[N+](=O)[O-])cc2)CC1 ZINC000853469105 1006400058 /nfs/dbraw/zinc/40/00/58/1006400058.db2.gz DWMRBZOPIRGQMD-UHFFFAOYSA-N 0 3 357.414 2.969 20 5 FFBDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000855166197 1007148541 /nfs/dbraw/zinc/14/85/41/1007148541.db2.gz FHACLQSDWVSFDC-HNNXBMFYSA-N 0 3 360.458 2.798 20 5 FFBDHN CCc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2N)N(C)C)cc1 ZINC001135928786 1007611992 /nfs/dbraw/zinc/61/19/92/1007611992.db2.gz DJYDQVGHXUCUOS-SFHVURJKSA-N 0 3 356.426 2.772 20 5 FFBDHN COc1cc2c(cc1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1)O[C@H](C)C2 ZINC000819183421 1008060255 /nfs/dbraw/zinc/06/02/55/1008060255.db2.gz WPIKAUPHZHLRAE-SJKOYZFVSA-N 0 3 358.394 2.750 20 5 FFBDHN CCN1CCN([C@@H](C)CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000859356384 1008505993 /nfs/dbraw/zinc/50/59/93/1008505993.db2.gz XMPYUTVOEVLUEF-HNNXBMFYSA-N 0 3 370.453 2.504 20 5 FFBDHN C[C@@H]1Cc2cc(CN3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)ccc2O1 ZINC001179937397 1009498164 /nfs/dbraw/zinc/49/81/64/1009498164.db2.gz LWLWOWHNJGRQDE-CZUORRHYSA-N 0 3 354.410 3.000 20 5 FFBDHN CCC1(N2CCOCC2)CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000863492917 1010224275 /nfs/dbraw/zinc/22/42/75/1010224275.db2.gz OGQFTXAIJVCUDS-YVMONPNESA-N 0 3 373.453 2.711 20 5 FFBDHN CN(C)[C@@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])Cc1ccccc1 ZINC000864612937 1010527408 /nfs/dbraw/zinc/52/74/08/1010527408.db2.gz XRZLJSCCKRYIKK-MRXNPFEDSA-N 0 3 359.401 2.566 20 5 FFBDHN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@H]1CCN(Cc2ccccc2)C1 ZINC000864630502 1010535036 /nfs/dbraw/zinc/53/50/36/1010535036.db2.gz MZXZTQVXNYGATF-INIZCTEOSA-N 0 3 357.385 2.667 20 5 FFBDHN CN(CCN1CC2(C1)CCOCC2)c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000866257882 1010964140 /nfs/dbraw/zinc/96/41/40/1010964140.db2.gz KIQCIXNIRRZDAJ-UHFFFAOYSA-N 0 3 356.426 2.692 20 5 FFBDHN COc1cnccc1N1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000795026616 1011371415 /nfs/dbraw/zinc/37/14/15/1011371415.db2.gz IGEQHYWITMURCZ-UHFFFAOYSA-N 0 3 373.438 2.517 20 5 FFBDHN COc1cc(CN(C)C)ccc1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868816294 1011491854 /nfs/dbraw/zinc/49/18/54/1011491854.db2.gz AMRNXIHHIJQHNQ-UHFFFAOYSA-N 0 3 361.373 2.985 20 5 FFBDHN CCOC(=O)[C@H]1CN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCS1 ZINC001172911620 1012122698 /nfs/dbraw/zinc/12/26/98/1012122698.db2.gz DBFRKMKXRPOFFE-NVXWUHKLSA-N 0 3 364.467 2.823 20 5 FFBDHN Cc1cc(CN)nn1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173012754 1012184243 /nfs/dbraw/zinc/18/42/43/1012184243.db2.gz YUBVIEZRTIYCFJ-UHFFFAOYSA-N 0 3 351.357 2.678 20 5 FFBDHN CCN(CC)C(=O)[C@H](C)N[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173180339 1012324682 /nfs/dbraw/zinc/32/46/82/1012324682.db2.gz VOEVIKVDPRUJGX-NEPJUHHUSA-N 0 3 355.410 2.520 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N(C)[C@H]2CCCN(C(C)=O)C2)c1F ZINC001173191460 1012333197 /nfs/dbraw/zinc/33/31/97/1012333197.db2.gz FKBXUVGSJHVORN-JSGCOSHPSA-N 0 3 367.421 2.616 20 5 FFBDHN CN1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCC1(C)C ZINC000871150397 1012752345 /nfs/dbraw/zinc/75/23/45/1012752345.db2.gz NKLMKLCTXAXAHL-UHFFFAOYSA-N 0 3 360.458 2.751 20 5 FFBDHN O=[N+]([O-])c1cc(-c2cc(CN3CCC[C@@H]3CO)on2)ccc1N1CCCC1 ZINC000901398617 1019043114 /nfs/dbraw/zinc/04/31/14/1019043114.db2.gz WSKUKYGJMIFTLM-OAHLLOKOSA-N 0 3 372.425 2.807 20 5 FFBDHN C[C@]1(NC(=O)c2cc([N+](=O)[O-])ccc2N)CCN(Cc2ccccc2)C1 ZINC000406045875 1032844116 /nfs/dbraw/zinc/84/41/16/1032844116.db2.gz UZTCIQBUAQRDBL-IBGZPJMESA-N 0 3 354.410 2.571 20 5 FFBDHN COc1cn(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(C)cc1=O ZINC000902166744 1019924637 /nfs/dbraw/zinc/92/46/37/1019924637.db2.gz XHAZPBPAQXYWBK-UHFFFAOYSA-N 0 3 373.409 2.574 20 5 FFBDHN C[C@@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)OC(C)(C)C ZINC000828917136 1032904379 /nfs/dbraw/zinc/90/43/79/1032904379.db2.gz DOOLIINGPWUFHC-COXVUDFISA-N 0 3 364.442 2.928 20 5 FFBDHN COc1ccc(C[C@@](C)(CO)NCc2ccccc2[N+](=O)[O-])cc1OC ZINC000933445597 1021014375 /nfs/dbraw/zinc/01/43/75/1021014375.db2.gz RIXJVYXTJMGENY-IBGZPJMESA-N 0 3 360.410 2.695 20 5 FFBDHN COc1cc(C(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1O[C@H]1CNC[C@@H]1F ZINC001218019247 1032956029 /nfs/dbraw/zinc/95/60/29/1032956029.db2.gz HDLSJGGJGGFGQY-YOEHRIQHSA-N 0 3 374.368 2.832 20 5 FFBDHN O=[N+]([O-])c1ccc(-n2cc(-c3nc([C@@H]4CN5CCC4CC5)no3)cn2)cc1 ZINC001116612968 1021308082 /nfs/dbraw/zinc/30/80/82/1021308082.db2.gz WIBOCAIYUBPFDS-MRXNPFEDSA-N 0 3 366.381 2.640 20 5 FFBDHN O=C(CN1CCCC[C@H]([C@@H]2CCOC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000934840508 1021423567 /nfs/dbraw/zinc/42/35/67/1021423567.db2.gz FXJOBENBFZHDIU-DLBZAZTESA-N 0 3 373.453 2.623 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)ccc1CNC[C@]1(N2CCOCC2)CCSC1 ZINC001120020564 1023209839 /nfs/dbraw/zinc/20/98/39/1023209839.db2.gz NFCJYPXPDCBVNM-MRXNPFEDSA-N 0 3 371.890 2.546 20 5 FFBDHN COc1ccc(NC(=O)N(CCN(C)C)C2CCCC2)c([N+](=O)[O-])c1 ZINC001123268011 1023716018 /nfs/dbraw/zinc/71/60/18/1023716018.db2.gz IXRDPVOCXBFJTN-UHFFFAOYSA-N 0 3 350.419 2.942 20 5 FFBDHN NCc1nn(-c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)c2ccccc12 ZINC001156855703 1029377804 /nfs/dbraw/zinc/37/78/04/1029377804.db2.gz MUKVEBCWSOJLET-UHFFFAOYSA-N 0 3 354.757 2.989 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2C[C@H]3[C@@H](CCN3Cc3ccccc3)C2)c1 ZINC001165089304 1029380381 /nfs/dbraw/zinc/38/03/81/1029380381.db2.gz TUBMRDFKGLAKAP-HOCLYGCPSA-N 0 3 374.828 2.592 20 5 FFBDHN O=C(CCN[C@@H](CO)c1cccc(F)c1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782532189 1029734107 /nfs/dbraw/zinc/73/41/07/1029734107.db2.gz XOESDNDCDOZQIW-INIZCTEOSA-N 0 3 365.336 2.525 20 5 FFBDHN COc1ccc(F)cc1CC[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC001203672286 1030818433 /nfs/dbraw/zinc/81/84/33/1030818433.db2.gz GERSRRYXNJJBIP-UHFFFAOYSA-N 0 3 350.346 2.789 20 5 FFBDHN CC1=CCN(CCNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC001139721309 1035207523 /nfs/dbraw/zinc/20/75/23/1035207523.db2.gz DQEQTQVOSVUBET-UHFFFAOYSA-N 0 3 351.834 2.949 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000835066775 1035504042 /nfs/dbraw/zinc/50/40/42/1035504042.db2.gz BXENDRCBMODMFM-INIZCTEOSA-N 0 3 365.430 2.629 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001140895722 1036404476 /nfs/dbraw/zinc/40/44/76/1036404476.db2.gz GAWKMCWKICXDBQ-OAHLLOKOSA-N 0 3 368.437 2.771 20 5 FFBDHN CCn1cnc(CNC2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)c1 ZINC001256092433 1038376557 /nfs/dbraw/zinc/37/65/57/1038376557.db2.gz NCLRILVHLUYLSH-UHFFFAOYSA-N 0 3 359.430 2.578 20 5 FFBDHN O=[N+]([O-])c1cc(F)c(Cc2nc(-c3ccc4c(n3)CCNC4)no2)cc1F ZINC001249316932 1040680224 /nfs/dbraw/zinc/68/02/24/1040680224.db2.gz NAPSCJQSQQMWRV-UHFFFAOYSA-N 0 3 373.319 2.555 20 5 FFBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1cn(Cc2ccncc2)cn1 ZINC001254545373 1040790435 /nfs/dbraw/zinc/79/04/35/1040790435.db2.gz MUJNKEBUOZTEIV-HNNXBMFYSA-N 0 3 351.410 2.955 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCC(Oc3ncc(F)cn3)CC1)C2 ZINC001254606097 1040834590 /nfs/dbraw/zinc/83/45/90/1040834590.db2.gz DTVIFAZYVGPJBL-INIZCTEOSA-N 0 3 358.373 2.535 20 5 FFBDHN Cc1ccnc(OC2CCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)n1 ZINC001254605706 1040834855 /nfs/dbraw/zinc/83/48/55/1040834855.db2.gz CTKIZBCQUBNFCP-QGZVFWFLSA-N 0 3 354.410 2.704 20 5 FFBDHN CN1CCN(c2ccc3[nH]c(Cc4ccccc4[N+](=O)[O-])nc3c2)CC1 ZINC001250617318 1041267226 /nfs/dbraw/zinc/26/72/26/1041267226.db2.gz SWGBTCKHWOZHJI-UHFFFAOYSA-N 0 3 351.410 2.814 20 5 FFBDHN O=[N+]([O-])c1c(F)cc(F)cc1-c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001216770147 1042118797 /nfs/dbraw/zinc/11/87/97/1042118797.db2.gz YMRQHEHRXQMXLN-UHFFFAOYSA-N 0 3 359.292 2.631 20 5 FFBDHN Cc1nccn1-c1ccncc1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC001319392683 1045134581 /nfs/dbraw/zinc/13/45/81/1045134581.db2.gz XTFZEJDTXKSWHX-UHFFFAOYSA-N 0 3 355.358 2.583 20 5 FFBDHN CO[C@]1(C)C[C@H](NCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1(C)C ZINC001324502113 1046068208 /nfs/dbraw/zinc/06/82/08/1046068208.db2.gz GEBFGUZLXARVFD-XJKSGUPXSA-N 0 3 355.822 2.980 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CNCCN2CC[C@H](O)C2)o1 ZINC001331794565 1048114881 /nfs/dbraw/zinc/11/48/81/1048114881.db2.gz LYKDQZRUPWDLEV-ZDUSSCGKSA-N 0 3 365.817 2.664 20 5 FFBDHN O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N(CCN1CCCC1)c1ccccc1 ZINC001330573299 1049211763 /nfs/dbraw/zinc/21/17/63/1049211763.db2.gz YZAUZFRDNRVWNC-LJQANCHMSA-N 0 3 369.421 2.757 20 5 FFBDHN O=C(Nc1ccc2c(c1)CNCCO2)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001341785608 1050398276 /nfs/dbraw/zinc/39/82/76/1050398276.db2.gz CNLZEDUDOVKJGS-SJORKVTESA-N 0 3 353.378 2.819 20 5 FFBDHN O=C(Nc1ccc2c(c1)CNCCO2)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001341785602 1050399440 /nfs/dbraw/zinc/39/94/40/1050399440.db2.gz CNLZEDUDOVKJGS-IRXDYDNUSA-N 0 3 353.378 2.819 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1OC(=O)C1CCN(Cc2ccccc2)C1=O ZINC001341922911 1050520570 /nfs/dbraw/zinc/52/05/70/1050520570.db2.gz GYSMTQRSPKNKBB-HNNXBMFYSA-N 0 3 370.361 2.558 20 5 FFBDHN O=[N+]([O-])c1ccc(-n2ccc(-c3nc([C@H]4CN5CCC4CC5)no3)n2)cc1 ZINC001342547142 1051150571 /nfs/dbraw/zinc/15/05/71/1051150571.db2.gz SFDKUDZNQCPSSO-HNNXBMFYSA-N 0 3 366.381 2.640 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(Cc2nc([C@H]3C[C@@H]3C)no2)CC1 ZINC001307907544 1052365501 /nfs/dbraw/zinc/36/55/01/1052365501.db2.gz LNODCXIUDUUNCR-WFASDCNBSA-N 0 3 374.445 2.561 20 5 FFBDHN CN1CCN(C2CCN(c3cc(C(F)(F)F)ccc3[N+](=O)[O-])CC2)CC1 ZINC001336690932 1054141759 /nfs/dbraw/zinc/14/17/59/1054141759.db2.gz BNQFNZXIHKIWFE-UHFFFAOYSA-N 0 3 372.391 2.830 20 5 FFBDHN CC(C)(C)N1CCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC001337206462 1054556719 /nfs/dbraw/zinc/55/67/19/1054556719.db2.gz RVOSXEZCOGIQMZ-UHFFFAOYSA-N 0 3 351.838 2.972 20 5 FFBDHN CN(C)C[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001338447961 1055523237 /nfs/dbraw/zinc/52/32/37/1055523237.db2.gz GDFQTPRJGMYKBX-KRWDZBQOSA-N 0 3 374.416 2.955 20 5 FFBDHN Cc1ccc(CN2CC[C@H](NC(=O)Cc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001455007862 1059669254 /nfs/dbraw/zinc/66/92/54/1059669254.db2.gz DQKRHNYIDWQFAP-SFHVURJKSA-N 0 3 353.422 2.836 20 5 FFBDHN COc1ccc(CNc2cccc(CN3CCN(C)CC3)c2)cc1[N+](=O)[O-] ZINC001461095299 1061210893 /nfs/dbraw/zinc/21/08/93/1061210893.db2.gz BBMSTWRPAULGOA-UHFFFAOYSA-N 0 3 370.453 2.963 20 5 FFBDHN CC[C@@](O)(CCC(F)(F)F)C[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC001462616202 1061694120 /nfs/dbraw/zinc/69/41/20/1061694120.db2.gz DIARIHJDMSFBBB-CQSZACIVSA-N 0 3 366.336 2.882 20 5 FFBDHN CC[C@@](O)(CCC(F)(F)F)CNCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001462616202 1061694125 /nfs/dbraw/zinc/69/41/25/1061694125.db2.gz DIARIHJDMSFBBB-CQSZACIVSA-N 0 3 366.336 2.882 20 5 FFBDHN CN1CCCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC001463220333 1061999438 /nfs/dbraw/zinc/99/94/38/1061999438.db2.gz CJJYELZTXFTOEU-CYBMUJFWSA-N 0 3 370.247 2.500 20 5 FFBDHN CC(C)(C(=O)Nc1ccnc([C@@H]2CCCN2)n1)c1ccccc1[N+](=O)[O-] ZINC001575096337 1078106037 /nfs/dbraw/zinc/10/60/37/1078106037.db2.gz ANYMOTMNPZLWNH-ZDUSSCGKSA-N 0 3 355.398 2.726 20 5 FFBDHN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NC[C@H]1NCCc2ccccc21 ZINC001580569969 1078827744 /nfs/dbraw/zinc/82/77/44/1078827744.db2.gz JFUKCBXPCGHMAD-MRXNPFEDSA-N 0 3 359.813 2.794 20 5 FFBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1CCN(CC2CC2)C1 ZINC001559102559 1076126238 /nfs/dbraw/zinc/12/62/38/1076126238.db2.gz VQBKFXMZTGQVIX-LLVKDONJSA-N 0 3 353.806 2.931 20 5 FFBDHN O=[N+]([O-])c1ncccc1N1CCCN(Cc2ccccc2)CCOCC1 ZINC001559290651 1076146583 /nfs/dbraw/zinc/14/65/83/1076146583.db2.gz XCNLFUKGRZQPBU-UHFFFAOYSA-N 0 3 356.426 2.719 20 5 FFBDHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1CCCCCC1 ZINC001559918201 1076201996 /nfs/dbraw/zinc/20/19/96/1076201996.db2.gz DICIQRVRFBXVDN-UHFFFAOYSA-N 0 3 369.487 2.775 20 5 FFBDHN CCOC(=O)c1c[nH]nc1[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC001560034810 1076215243 /nfs/dbraw/zinc/21/52/43/1076215243.db2.gz DUDWVKYZRYCSQJ-AWEZNQCLSA-N 0 3 358.398 2.793 20 5 FFBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCCN1C ZINC001585855721 1079505901 /nfs/dbraw/zinc/50/59/01/1079505901.db2.gz MKUDNGPTQJKGIS-YPMHNXCESA-N 0 3 355.822 2.616 20 5 FFBDHN C[C@@H](Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001589978295 1080917487 /nfs/dbraw/zinc/91/74/87/1080917487.db2.gz MCVLCTFSSBJPEB-OCCSQVGLSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@@H](Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001589978295 1080917491 /nfs/dbraw/zinc/91/74/91/1080917491.db2.gz MCVLCTFSSBJPEB-OCCSQVGLSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@@H](Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001589978295 1080917496 /nfs/dbraw/zinc/91/74/96/1080917496.db2.gz MCVLCTFSSBJPEB-OCCSQVGLSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@@H](Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001589978295 1080917499 /nfs/dbraw/zinc/91/74/99/1080917499.db2.gz MCVLCTFSSBJPEB-OCCSQVGLSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@H]1CCC[N@@H+](C(C)(C)CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001590258719 1081128123 /nfs/dbraw/zinc/12/81/23/1081128123.db2.gz CDBCQEDHGHOSRH-LBPRGKRZSA-N 0 3 359.434 2.697 20 5 FFBDHN C[C@H]1CCC[N@H+](C(C)(C)CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001590258719 1081128128 /nfs/dbraw/zinc/12/81/28/1081128128.db2.gz CDBCQEDHGHOSRH-LBPRGKRZSA-N 0 3 359.434 2.697 20 5 FFBDHN C[C@H]1CCC[N@@H+](C(C)(C)CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001590258719 1081128130 /nfs/dbraw/zinc/12/81/30/1081128130.db2.gz CDBCQEDHGHOSRH-LBPRGKRZSA-N 0 3 359.434 2.697 20 5 FFBDHN C[C@H]1CCC[N@H+](C(C)(C)CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001590258719 1081128133 /nfs/dbraw/zinc/12/81/33/1081128133.db2.gz CDBCQEDHGHOSRH-LBPRGKRZSA-N 0 3 359.434 2.697 20 5 FFBDHN COc1ccc(CNCC2(N3CCOCC3)CCCCC2)cc1[N+](=O)[O-] ZINC000106465776 250271756 /nfs/dbraw/zinc/27/17/56/250271756.db2.gz AKHGYGAXAKNBSX-UHFFFAOYSA-N 0 3 363.458 2.728 20 5 FFBDHN O=C(CN1CC[C@H](N2CCCCC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000264629097 251329142 /nfs/dbraw/zinc/32/91/42/251329142.db2.gz TVPDWKABYCLIPV-AWEZNQCLSA-N 0 3 366.849 2.747 20 5 FFBDHN CN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000268762097 251375944 /nfs/dbraw/zinc/37/59/44/251375944.db2.gz VXVQZUPDSLNRKU-HNNXBMFYSA-N 0 3 354.410 2.524 20 5 FFBDHN CC[C@H](CCO)CNCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272465532 252046225 /nfs/dbraw/zinc/04/62/25/252046225.db2.gz RCZLCBDLPDXCCF-LLVKDONJSA-N 0 3 362.373 2.746 20 5 FFBDHN CN1CC[C@H]2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)[C@@H]2C1 ZINC000272496051 252053535 /nfs/dbraw/zinc/05/35/35/252053535.db2.gz VCVCVOZYXSYEMY-GXFFZTMASA-N 0 3 370.356 2.754 20 5 FFBDHN CN1CC[C@@H]2CCN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000272671395 252098290 /nfs/dbraw/zinc/09/82/90/252098290.db2.gz TXMRMUWAYZAQBB-DOMZBBRYSA-N 0 3 367.833 2.570 20 5 FFBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)[C@@H]2C1 ZINC000272697276 252106181 /nfs/dbraw/zinc/10/61/81/252106181.db2.gz YATUKULQLRCZTN-QMTHXVAHSA-N 0 3 368.231 2.524 20 5 FFBDHN CS[C@@H]1CN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C[C@@H]1N(C)C ZINC000272625306 252084860 /nfs/dbraw/zinc/08/48/60/252084860.db2.gz VPHMIHHSDDZAOR-UONOGXRCSA-N 0 3 352.460 2.721 20 5 FFBDHN COc1ccccc1[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273397643 252298224 /nfs/dbraw/zinc/29/82/24/252298224.db2.gz VVFOXDGKIUVCOQ-CVEARBPZSA-N 0 3 372.421 2.833 20 5 FFBDHN Cc1c([C@H](C)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)cccc1[N+](=O)[O-] ZINC000285751423 257003009 /nfs/dbraw/zinc/00/30/09/257003009.db2.gz RZQUCQZSNKKBGC-UONOGXRCSA-N 0 3 367.471 2.510 20 5 FFBDHN CCOc1cc(CN2CCN(CC3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000276890409 256140293 /nfs/dbraw/zinc/14/02/93/256140293.db2.gz JXTYLMGICFMOSE-UHFFFAOYSA-N 0 3 363.458 2.538 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000277571358 256212333 /nfs/dbraw/zinc/21/23/33/256212333.db2.gz OACRNYQVYVVPIY-OAHLLOKOSA-N 0 3 363.458 2.751 20 5 FFBDHN C[C@@H]1CN(C2CCOCC2)CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000278806518 256349999 /nfs/dbraw/zinc/34/99/99/256349999.db2.gz OBKGORQKFVBTOA-CQSZACIVSA-N 0 3 356.426 2.833 20 5 FFBDHN C[C@@H]1C[C@H](N2CCCC2)CN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000285568313 256992983 /nfs/dbraw/zinc/99/29/83/256992983.db2.gz NPORACAFCXIRJX-CJNGLKHVSA-N 0 3 357.414 2.703 20 5 FFBDHN CCS[C@H]1CCC[C@@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000286030637 257016970 /nfs/dbraw/zinc/01/69/70/257016970.db2.gz HWHDMHGNJTXDCE-BONVTDFDSA-N 0 3 367.427 2.526 20 5 FFBDHN C[C@H](NC[C@@](C)(O)CNC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000289378074 257277400 /nfs/dbraw/zinc/27/74/00/257277400.db2.gz PCNPQZYPIJWSLF-YVEFUNNKSA-N 0 3 353.419 2.521 20 5 FFBDHN Cc1cnn([C@H]2CCN(Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000290926144 257365331 /nfs/dbraw/zinc/36/53/31/257365331.db2.gz OMCGSBAWGAUJME-SFHVURJKSA-N 0 3 366.425 2.947 20 5 FFBDHN C[C@@H](N[C@H](CO)Cc1c[nH]c2ccccc12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293572190 257552181 /nfs/dbraw/zinc/55/21/81/257552181.db2.gz DNZYDBVAPGOGQC-DOMZBBRYSA-N 0 3 354.410 2.913 20 5 FFBDHN CC(C)(CO)[C@@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000293106417 257531937 /nfs/dbraw/zinc/53/19/37/257531937.db2.gz QPTYZZWRVXYJDG-HNNXBMFYSA-N 0 3 355.822 2.573 20 5 FFBDHN CC1CCN(C[C@@H](O)CNc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301172678 258031499 /nfs/dbraw/zinc/03/14/99/258031499.db2.gz KSKJSMOAAWFDBE-ZDUSSCGKSA-N 0 3 372.263 2.862 20 5 FFBDHN COC(=O)c1cc([N+](=O)[O-])c(N(C)C[C@H]2CCCN(C)C2)cc1Cl ZINC000301690877 258063149 /nfs/dbraw/zinc/06/31/49/258063149.db2.gz WJBZPRDTTRRBCN-NSHDSACASA-N 0 3 355.822 2.813 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301964441 258078903 /nfs/dbraw/zinc/07/89/03/258078903.db2.gz NTATVLHSSDZEMN-GDBMZVCRSA-N 0 3 366.425 2.960 20 5 FFBDHN Cc1ccc([C@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)N2CCCC2)o1 ZINC000302015896 258082494 /nfs/dbraw/zinc/08/24/94/258082494.db2.gz YJIJGARKRIAIBL-ZDUSSCGKSA-N 0 3 356.386 2.788 20 5 FFBDHN C[C@@H]1CCCN(c2ccc(C(=O)N3CCC[C@@H]3CN(C)C)cc2[N+](=O)[O-])C1 ZINC000332408091 258229449 /nfs/dbraw/zinc/22/94/49/258229449.db2.gz DFMYYZPXSPUGOF-NVXWUHKLSA-N 0 3 374.485 2.997 20 5 FFBDHN CCc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2C)N(C)C)cc1 ZINC000041904246 506566493 /nfs/dbraw/zinc/56/64/93/506566493.db2.gz VBHSEIFYEOWVLA-GOSISDBHSA-N 0 3 356.426 2.893 20 5 FFBDHN COc1cc(C(=O)NC[C@H](C)N2CCCC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000043084470 506697244 /nfs/dbraw/zinc/69/72/44/506697244.db2.gz AWFLGCMRDCYZSJ-OLZOCXBDSA-N 0 3 365.430 2.605 20 5 FFBDHN CNc1ccc(C(=O)NCCCN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000009919863 506717900 /nfs/dbraw/zinc/71/79/00/506717900.db2.gz QSCOLPLMORSKBP-UHFFFAOYSA-N 0 3 356.426 2.888 20 5 FFBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000055407447 506745675 /nfs/dbraw/zinc/74/56/75/506745675.db2.gz LRWSJRJSWLXWFO-HUUCEWRRSA-N 0 3 371.441 2.631 20 5 FFBDHN CC(C)N(C)C(=O)C1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055902753 506882243 /nfs/dbraw/zinc/88/22/43/506882243.db2.gz GHYCMMZEJSWYTE-UHFFFAOYSA-N 0 3 363.458 2.943 20 5 FFBDHN CN(C)Cc1ccc(CNC(=O)NCCNc2ccccc2[N+](=O)[O-])cc1 ZINC000045130020 506922790 /nfs/dbraw/zinc/92/27/90/506922790.db2.gz WZLFZRDTEFTTEB-UHFFFAOYSA-N 0 3 371.441 2.568 20 5 FFBDHN O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H](c1ccccc1)N1CCCC1 ZINC000067705953 506984486 /nfs/dbraw/zinc/98/44/86/506984486.db2.gz MMYNCRWIJZBRGO-IBGZPJMESA-N 0 3 368.437 2.960 20 5 FFBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000059003477 507491011 /nfs/dbraw/zinc/49/10/11/507491011.db2.gz YMTBTCCIUUVRRV-UHFFFAOYSA-N 0 3 351.403 2.999 20 5 FFBDHN Cc1cccc(OCCN(C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000025698299 507524314 /nfs/dbraw/zinc/52/43/14/507524314.db2.gz NKBRZMSPQYIRNM-QGZVFWFLSA-N 0 3 360.410 2.654 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)C2CCN(C(C)C)CC2)cc1C ZINC000060442374 507544631 /nfs/dbraw/zinc/54/46/31/507544631.db2.gz ZYAJGSZXTRFMAL-UHFFFAOYSA-N 0 3 369.487 2.705 20 5 FFBDHN COc1ccc(NC(=O)CCN2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000026156162 507561569 /nfs/dbraw/zinc/56/15/69/507561569.db2.gz DDZMRFZZXYQQEY-UHFFFAOYSA-N 0 3 355.394 2.990 20 5 FFBDHN CCC[C@H](C)NC(=O)[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000051051074 507727863 /nfs/dbraw/zinc/72/78/63/507727863.db2.gz YRLXKXFDNLTPGN-HOTGVXAUSA-N 0 3 363.458 2.990 20 5 FFBDHN COc1ccc([C@H](CNc2c([N+](=O)[O-])c(C)nn2C)N2CCCC2)cc1 ZINC000051227308 507751229 /nfs/dbraw/zinc/75/12/29/507751229.db2.gz HNZVGTJPKNMOCW-INIZCTEOSA-N 0 3 359.430 2.894 20 5 FFBDHN COc1cc(C(=O)N(CCN(C)C)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000063829501 507774704 /nfs/dbraw/zinc/77/47/04/507774704.db2.gz VQTIEHLVMUOZIB-UHFFFAOYSA-N 0 3 373.409 2.820 20 5 FFBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000108302697 507885530 /nfs/dbraw/zinc/88/55/30/507885530.db2.gz NKIVKLKHZGWEFA-AWEZNQCLSA-N 0 3 372.450 2.932 20 5 FFBDHN CCCc1n[nH]c(C(=O)NC[C@@H](C(C)C)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000078593156 507886517 /nfs/dbraw/zinc/88/65/17/507886517.db2.gz LVUTWWIIMGDNKW-HNNXBMFYSA-N 0 3 365.478 2.757 20 5 FFBDHN CCC[C@@H](N[C@@H]1CCc2nc(COC)nn2C1)c1cccc([N+](=O)[O-])c1 ZINC000090393700 507917045 /nfs/dbraw/zinc/91/70/45/507917045.db2.gz OKKVWFNDSLHZGO-GDBMZVCRSA-N 0 3 359.430 2.779 20 5 FFBDHN Cc1cc(NCc2ccc(CN3CCN(C)CC3)cc2)ncc1[N+](=O)[O-] ZINC000074740825 508051095 /nfs/dbraw/zinc/05/10/95/508051095.db2.gz XKEPTXQTRNCZBH-UHFFFAOYSA-N 0 3 355.442 2.658 20 5 FFBDHN O=[N+]([O-])c1ccc(NCCCN2CCN(Cc3ccccc3)CC2)cn1 ZINC000075667829 508126658 /nfs/dbraw/zinc/12/66/58/508126658.db2.gz HRLDTTSHNODUEO-UHFFFAOYSA-N 0 3 355.442 2.610 20 5 FFBDHN COC(=O)C(C)(C)[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000093298380 508136354 /nfs/dbraw/zinc/13/63/54/508136354.db2.gz DGCWZMXSFSRZDW-CQSZACIVSA-N 0 3 350.415 2.885 20 5 FFBDHN CNC(=O)[C@@H](C)CN(C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000093899211 508159195 /nfs/dbraw/zinc/15/91/95/508159195.db2.gz NWIDVXINWODQBI-LBPRGKRZSA-N 0 3 361.398 2.677 20 5 FFBDHN CC1CCN(c2ccc(C(=O)N(C)CCN3CCCC3)cc2[N+](=O)[O-])CC1 ZINC000103120120 508297788 /nfs/dbraw/zinc/29/77/88/508297788.db2.gz APKGCBXIEMUNBA-UHFFFAOYSA-N 0 3 374.485 2.999 20 5 FFBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000115444065 508394880 /nfs/dbraw/zinc/39/48/80/508394880.db2.gz GXQUQTCIROWGJU-HNNXBMFYSA-N 0 3 360.458 2.609 20 5 FFBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000157202845 508536614 /nfs/dbraw/zinc/53/66/14/508536614.db2.gz HAJOZZWQRQTNLP-RHSMWYFYSA-N 0 3 358.442 2.725 20 5 FFBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000128042463 508539680 /nfs/dbraw/zinc/53/96/80/508539680.db2.gz XDHMNPIFHCVHEJ-INIZCTEOSA-N 0 3 369.425 2.501 20 5 FFBDHN O=[N+]([O-])c1cc(CNCCc2nnc[nH]2)ccc1Oc1ccc(F)cc1 ZINC000119178356 508741401 /nfs/dbraw/zinc/74/14/01/508741401.db2.gz YGGXQLQRZWOBJP-UHFFFAOYSA-N 0 3 357.345 2.977 20 5 FFBDHN CN(C)CCn1cc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cn1 ZINC000137671209 508762026 /nfs/dbraw/zinc/76/20/26/508762026.db2.gz CPQJZEWVBGWDBM-UHFFFAOYSA-N 0 3 372.429 2.549 20 5 FFBDHN CC1CCN([C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])c2cccs2)CC1 ZINC000158940903 508771488 /nfs/dbraw/zinc/77/14/88/508771488.db2.gz GEMKLOXBQUFXPY-GFCCVEGCSA-N 0 3 363.443 2.582 20 5 FFBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(C2CCCCC2)CC1 ZINC000141839064 508819408 /nfs/dbraw/zinc/81/94/08/508819408.db2.gz RBEGLOGAFCQIRS-HNNXBMFYSA-N 0 3 360.458 2.872 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000119593923 508824822 /nfs/dbraw/zinc/82/48/22/508824822.db2.gz WNDFNMFVYCTQEZ-KXBFYZLASA-N 0 3 368.437 2.915 20 5 FFBDHN COc1ccc(NC(=O)CCN(C)CCc2ccccn2)c([N+](=O)[O-])c1 ZINC000124404640 508826502 /nfs/dbraw/zinc/82/65/02/508826502.db2.gz MNZGFLSLERSYAT-UHFFFAOYSA-N 0 3 358.398 2.502 20 5 FFBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000154913724 508882082 /nfs/dbraw/zinc/88/20/82/508882082.db2.gz RGBNEXNVGNYFBG-AWEZNQCLSA-N 0 3 371.441 2.531 20 5 FFBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000121427275 509173208 /nfs/dbraw/zinc/17/32/08/509173208.db2.gz TYBIKAAUUXHLBD-LLVKDONJSA-N 0 3 370.247 2.771 20 5 FFBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)n1 ZINC000191801352 509187177 /nfs/dbraw/zinc/18/71/77/509187177.db2.gz LEPUPRIPWHRPAS-CYBMUJFWSA-N 0 3 359.430 2.670 20 5 FFBDHN Cc1ccc(CN2CCCC2)cc1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000185510265 509213367 /nfs/dbraw/zinc/21/33/67/509213367.db2.gz VRGPTUIYKWCAKV-UHFFFAOYSA-N 0 3 355.398 2.729 20 5 FFBDHN CCCN1CCC(N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000191896051 509235717 /nfs/dbraw/zinc/23/57/17/509235717.db2.gz FFCVBHUCHRIRBJ-UHFFFAOYSA-N 0 3 369.487 2.707 20 5 FFBDHN CN(C)C[C@H]1CCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000263939985 509238710 /nfs/dbraw/zinc/23/87/10/509238710.db2.gz ZBOFWVQZJHDQQU-MRXNPFEDSA-N 0 3 363.461 2.707 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C)[C@H]1COc2ccccc21 ZINC000185593794 509255972 /nfs/dbraw/zinc/25/59/72/509255972.db2.gz YCHYXPACWNUKPD-CZUORRHYSA-N 0 3 355.394 2.996 20 5 FFBDHN COc1cccc(NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000185644304 509282213 /nfs/dbraw/zinc/28/22/13/509282213.db2.gz LQSIKEJQBMTIQD-JKSUJKDBSA-N 0 3 357.410 2.651 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000182622205 509337846 /nfs/dbraw/zinc/33/78/46/509337846.db2.gz AVIAVTMAOGAVIG-CVEARBPZSA-N 0 3 361.442 2.535 20 5 FFBDHN CN(C)[C@@]1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCSC1 ZINC000267133324 509358849 /nfs/dbraw/zinc/35/88/49/509358849.db2.gz CYZNZSPCTAVWML-CQSZACIVSA-N 0 3 358.851 2.807 20 5 FFBDHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182670310 509361046 /nfs/dbraw/zinc/36/10/46/509361046.db2.gz FGMUGXDMKMFWSV-WCQYABFASA-N 0 3 369.368 2.895 20 5 FFBDHN COc1ccc(OCCN2CCC([C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000189121719 509421729 /nfs/dbraw/zinc/42/17/29/509421729.db2.gz UDYBMDDRZKBKLK-KRWDZBQOSA-N 0 3 350.415 2.873 20 5 FFBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)n1 ZINC000248683252 509434216 /nfs/dbraw/zinc/43/42/16/509434216.db2.gz XPNPTLODYMICHQ-GOEBONIOSA-N 0 3 371.441 2.594 20 5 FFBDHN C[C@@H]1CN(CCC2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)C[C@H](C)O1 ZINC000267449243 509489897 /nfs/dbraw/zinc/48/98/97/509489897.db2.gz ZTDNCNGODSTVRS-OKILXGFUSA-N 0 3 365.430 2.539 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000248826448 509499160 /nfs/dbraw/zinc/49/91/60/509499160.db2.gz MAABMHMPKPHZLZ-CRAIPNDOSA-N 0 3 353.422 2.774 20 5 FFBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000179713237 509585962 /nfs/dbraw/zinc/58/59/62/509585962.db2.gz UBUPVJLMZDADKA-CYBMUJFWSA-N 0 3 367.409 2.721 20 5 FFBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NCCCNCc2cccnc2)c1 ZINC000237333334 509624690 /nfs/dbraw/zinc/62/46/90/509624690.db2.gz ATPSFNKQWGFSCS-UHFFFAOYSA-N 0 3 360.439 2.621 20 5 FFBDHN COc1cc(CN[C@@H](C)CCCO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000268018404 509718545 /nfs/dbraw/zinc/71/85/45/509718545.db2.gz HCYTUUOQZWYPPZ-JTQLQIEISA-N 0 3 366.336 2.795 20 5 FFBDHN CN1CC[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000180147580 509777926 /nfs/dbraw/zinc/77/79/26/509777926.db2.gz DATCJQJKDKYAPW-JXFKEZNVSA-N 0 3 369.421 2.925 20 5 FFBDHN O=C(NCCN1CCCCCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176976132 509794747 /nfs/dbraw/zinc/79/47/47/509794747.db2.gz HUFSFJBHYLKGTE-UHFFFAOYSA-N 0 3 370.247 2.963 20 5 FFBDHN Cc1ccc(C)c(S(=O)(=O)NC2CCN(C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000189874942 509802712 /nfs/dbraw/zinc/80/27/12/509802712.db2.gz RHJZHFRXBUFYOR-UHFFFAOYSA-N 0 3 369.487 2.753 20 5 FFBDHN Cc1cccc(CN(CCN(C)C)C(=O)Nc2ccncc2[N+](=O)[O-])c1 ZINC000183642779 509901103 /nfs/dbraw/zinc/90/11/03/509901103.db2.gz GFRUNSLWCSUKMS-UHFFFAOYSA-N 0 3 357.414 2.894 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)CN1C1CC1 ZINC000177172953 509916795 /nfs/dbraw/zinc/91/67/95/509916795.db2.gz YAQPJSDDWLWLIS-NXEZZACHSA-N 0 3 368.231 2.712 20 5 FFBDHN Cc1cc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000265253135 509948083 /nfs/dbraw/zinc/94/80/83/509948083.db2.gz WRLGLUZKZCXIKR-UHFFFAOYSA-N 0 3 367.471 2.542 20 5 FFBDHN Cc1cccc([C@H](C)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000174105378 509950216 /nfs/dbraw/zinc/95/02/16/509950216.db2.gz ZINNFHOCMSQFKP-AWEZNQCLSA-N 0 3 363.439 2.532 20 5 FFBDHN O=C(CN1CCNC[C@@H]1c1cccc(Cl)c1)Nc1ccccc1[N+](=O)[O-] ZINC000261713590 510036014 /nfs/dbraw/zinc/03/60/14/510036014.db2.gz MTHKDLYTRWJJLR-QGZVFWFLSA-N 0 3 374.828 2.833 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(c2ncc[nH]2)CC1 ZINC000265522734 510097957 /nfs/dbraw/zinc/09/79/57/510097957.db2.gz TYRDFCDLKYUSLB-UHFFFAOYSA-N 0 3 373.413 2.535 20 5 FFBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000245708360 510099105 /nfs/dbraw/zinc/09/91/05/510099105.db2.gz YRFMJEAGCWRCAT-IINYFYTJSA-N 0 3 370.247 2.770 20 5 FFBDHN C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000187180598 510106657 /nfs/dbraw/zinc/10/66/57/510106657.db2.gz XBKRSVBZSKIGMB-KUHUBIRLSA-N 0 3 357.410 2.781 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCN(C[C@H]2CCCO2)[C@H]2CCSC2)cc1 ZINC000245903411 510197468 /nfs/dbraw/zinc/19/74/68/510197468.db2.gz QGMQIWIDYIPIGW-DOTOQJQBSA-N 0 3 352.456 2.960 20 5 FFBDHN CCN1CCN(c2cccc(NC(=O)Cc3ccccc3[N+](=O)[O-])c2)CC1 ZINC000184259577 510224151 /nfs/dbraw/zinc/22/41/51/510224151.db2.gz IOCXHFXJMBWMFZ-UHFFFAOYSA-N 0 3 368.437 2.918 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000177788030 510252967 /nfs/dbraw/zinc/25/29/67/510252967.db2.gz MRLUWPJXGYKOCY-GOEBONIOSA-N 0 3 360.458 2.842 20 5 FFBDHN Cc1nn(C)c(N(C)CCC2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000181261326 510328008 /nfs/dbraw/zinc/32/80/08/510328008.db2.gz JXXDVIZTKXBXAE-UHFFFAOYSA-N 0 3 358.446 2.775 20 5 FFBDHN O=[N+]([O-])c1ccc(Cl)cc1CN1CCN(CC2CCOCC2)CC1 ZINC000174868399 510354968 /nfs/dbraw/zinc/35/49/68/510354968.db2.gz JEDNTZRYBXEVND-UHFFFAOYSA-N 0 3 353.850 2.792 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269365561 510365068 /nfs/dbraw/zinc/36/50/68/510365068.db2.gz VKFZTWSXKWUKKC-SCLBCKFNSA-N 0 3 358.442 2.752 20 5 FFBDHN CN(C)CCOc1ccccc1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266079342 510397912 /nfs/dbraw/zinc/39/79/12/510397912.db2.gz VSYVLGUPNNYBLB-UHFFFAOYSA-N 0 3 357.410 2.508 20 5 FFBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000246324635 510426761 /nfs/dbraw/zinc/42/67/61/510426761.db2.gz NEDLHSYWAYDNOL-MAUKXSAKSA-N 0 3 362.474 2.899 20 5 FFBDHN CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2[n-]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000269481330 510428855 /nfs/dbraw/zinc/42/88/55/510428855.db2.gz WEKHRAOODVPVKR-GFCCVEGCSA-N 0 3 360.418 2.678 20 5 FFBDHN CC(C)N1[C@@H]2CC[C@H]1CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C2 ZINC000175031506 510448801 /nfs/dbraw/zinc/44/88/01/510448801.db2.gz TZCUWSDLZFMFRE-UONOGXRCSA-N 0 3 362.386 2.590 20 5 FFBDHN Cc1cc(N2CC[C@H](N3CC=CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000266293355 510502935 /nfs/dbraw/zinc/50/29/35/510502935.db2.gz XEEHJFGODYWCTI-KRWDZBQOSA-N 0 3 351.410 2.811 20 5 FFBDHN O=C(CCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)NC1CC1 ZINC000172114026 510549935 /nfs/dbraw/zinc/54/99/35/510549935.db2.gz ZCAXYGIGMHQXDB-UHFFFAOYSA-N 0 3 360.439 2.867 20 5 FFBDHN COCCCN1CCC(NC(=O)c2cccc(SC)c2[N+](=O)[O-])CC1 ZINC000188116486 510602385 /nfs/dbraw/zinc/60/23/85/510602385.db2.gz JGDSBVCFHDAABD-UHFFFAOYSA-N 0 3 367.471 2.547 20 5 FFBDHN CCOC(=O)c1ccnc(N[C@@H](C)CN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000246653377 510602602 /nfs/dbraw/zinc/60/26/02/510602602.db2.gz JKNIMFFTAQNWCI-OLZOCXBDSA-N 0 3 350.419 2.699 20 5 FFBDHN CCC1(CC)[C@H](OC)C[C@@H]1NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000191363483 510624417 /nfs/dbraw/zinc/62/44/17/510624417.db2.gz IOWRTTYRAYVUFU-JKSUJKDBSA-N 0 3 365.430 2.725 20 5 FFBDHN Cc1c(NC(=O)[C@H](C)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cccc1[N+](=O)[O-] ZINC000270046937 510651633 /nfs/dbraw/zinc/65/16/33/510651633.db2.gz UBVRZXCSLRIJCX-WRFANHODSA-N 0 3 359.426 2.777 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNC2(c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000266621817 510692690 /nfs/dbraw/zinc/69/26/90/510692690.db2.gz FWDZSSJSVJLTPH-GFCCVEGCSA-N 0 3 371.224 2.738 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000178730426 510743481 /nfs/dbraw/zinc/74/34/81/510743481.db2.gz HIGNNOBBQDMSSD-BEFAXECRSA-N 0 3 370.453 2.999 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000246935967 510754546 /nfs/dbraw/zinc/75/45/46/510754546.db2.gz HIGNNOBBQDMSSD-HNAYVOBHSA-N 0 3 370.453 2.999 20 5 FFBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCN1C ZINC000182146737 510780155 /nfs/dbraw/zinc/78/01/55/510780155.db2.gz VMXLGUQQEITABK-MNOVXSKESA-N 0 3 357.357 2.751 20 5 FFBDHN Cc1cc(S(=O)(=O)NC[C@@H]2CCCN(CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000178823276 510790782 /nfs/dbraw/zinc/79/07/82/510790782.db2.gz YJAJTYIQHNYAMS-HNNXBMFYSA-N 0 3 369.487 2.550 20 5 FFBDHN CC(=O)Nc1cccc([C@@H](C)NC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000182205296 510812440 /nfs/dbraw/zinc/81/24/40/510812440.db2.gz CMWVWFOPRVAKOI-DYVFJYSZSA-N 0 3 373.409 2.644 20 5 FFBDHN CCN(CC)[C@H](CNC(=O)c1nn(CC)cc1[N+](=O)[O-])c1ccsc1 ZINC000191771430 510823987 /nfs/dbraw/zinc/82/39/87/510823987.db2.gz UNKCFYRYTPAJOZ-CYBMUJFWSA-N 0 3 365.459 2.686 20 5 FFBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000247277522 510855037 /nfs/dbraw/zinc/85/50/37/510855037.db2.gz XBPQWHLJSFMMEP-ZWNOBZJWSA-N 0 3 370.247 2.770 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](c2ccnn2C)C1 ZINC000360306183 510893995 /nfs/dbraw/zinc/89/39/95/510893995.db2.gz SJSGKBYXROOYNU-OAHLLOKOSA-N 0 3 371.441 2.845 20 5 FFBDHN CN1CCC[C@]2(CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C2)C1 ZINC000293913828 510897895 /nfs/dbraw/zinc/89/78/95/510897895.db2.gz HZVQOUHGRAVCQN-FQEVSTJZSA-N 0 3 372.469 2.753 20 5 FFBDHN CN1CCC[C@@]2(CCN(C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000294246438 511003933 /nfs/dbraw/zinc/00/39/33/511003933.db2.gz SHTUHLILXRTRKW-MRXNPFEDSA-N 0 3 353.369 2.631 20 5 FFBDHN CCN(CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1ccncc1 ZINC000271049692 511068624 /nfs/dbraw/zinc/06/86/24/511068624.db2.gz WTIHVEROYCOJNH-UHFFFAOYSA-N 0 3 358.398 2.849 20 5 FFBDHN COc1ccc([C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])N2CCCC2)cc1 ZINC000294525500 511093163 /nfs/dbraw/zinc/09/31/63/511093163.db2.gz ZAHCFACBAKUERR-QGZVFWFLSA-N 0 3 363.458 2.784 20 5 FFBDHN O=[N+]([O-])c1ccn(CCN2CCC(COc3ccc(Cl)nc3)CC2)n1 ZINC000364865115 511122422 /nfs/dbraw/zinc/12/24/22/511122422.db2.gz GDPFLYAGYXNTMS-UHFFFAOYSA-N 0 3 365.821 2.631 20 5 FFBDHN Cn1cc(CN2CCC3(C2)CCOCC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000271226778 511129175 /nfs/dbraw/zinc/12/91/75/511129175.db2.gz RMPSHUNXPNRYJF-UHFFFAOYSA-N 0 3 356.426 2.998 20 5 FFBDHN C[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000294855657 511199605 /nfs/dbraw/zinc/19/96/05/511199605.db2.gz CRBGPMOKZNNOCB-SNVBAGLBSA-N 0 3 355.236 2.673 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)c1 ZINC000291726415 511312435 /nfs/dbraw/zinc/31/24/35/511312435.db2.gz HXIJLSLYPDYSSF-KSSFIOAISA-N 0 3 369.421 2.996 20 5 FFBDHN CCOC(=O)c1cnn(C2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000295419174 511398994 /nfs/dbraw/zinc/39/89/94/511398994.db2.gz CIQRHVDKMKXNIQ-UHFFFAOYSA-N 0 3 372.425 2.848 20 5 FFBDHN C[C@@H](CN(C)C)NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000334012528 511424210 /nfs/dbraw/zinc/42/42/10/511424210.db2.gz FBDAKBOEHZUFQS-KKUMJFAQSA-N 0 3 362.474 2.757 20 5 FFBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272205183 511464454 /nfs/dbraw/zinc/46/44/54/511464454.db2.gz ZDHMXJJIGPLGPU-WFASDCNBSA-N 0 3 353.369 2.629 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000296013429 511588212 /nfs/dbraw/zinc/58/82/12/511588212.db2.gz NQMXLOORRQLIRP-ZTFGCOKTSA-N 0 3 359.426 2.779 20 5 FFBDHN CN1CCC[C@]2(CCN(c3ncc([N+](=O)[O-])cc3Br)C2)C1 ZINC000292691246 511687035 /nfs/dbraw/zinc/68/70/35/511687035.db2.gz FMBSZBCPZNNDKN-AWEZNQCLSA-N 0 3 355.236 2.674 20 5 FFBDHN CN1CCC(Oc2ccc(CNC(=O)c3ccc([N+](=O)[O-])o3)cc2)CC1 ZINC000284392246 511706548 /nfs/dbraw/zinc/70/65/48/511706548.db2.gz GUGRQITZNDTUNG-UHFFFAOYSA-N 0 3 359.382 2.591 20 5 FFBDHN COCCOC1(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)CCOCC1 ZINC000296393172 511725623 /nfs/dbraw/zinc/72/56/23/511725623.db2.gz KCTCZOOMMXBUAB-OAHLLOKOSA-N 0 3 352.431 2.766 20 5 FFBDHN CNC(=O)c1ccc(N[C@H](C)CN(C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000311856748 511780585 /nfs/dbraw/zinc/78/05/85/511780585.db2.gz WVIMXQMFMUUQBH-CQSZACIVSA-N 0 3 356.426 2.887 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000324013819 511832989 /nfs/dbraw/zinc/83/29/89/511832989.db2.gz LVXOUIVSQKLNAO-OAHLLOKOSA-N 0 3 368.437 2.771 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000375694823 512459518 /nfs/dbraw/zinc/45/95/18/512459518.db2.gz ZLLCTFVVUBEZRP-INIZCTEOSA-N 0 3 369.421 2.855 20 5 FFBDHN O=C(CN[C@@H](c1ccccc1)[C@H]1CCOC1)Nc1ccccc1[N+](=O)[O-] ZINC000371556544 512464661 /nfs/dbraw/zinc/46/46/61/512464661.db2.gz ZFDUCLOBYZYLCX-KXBFYZLASA-N 0 3 355.394 2.901 20 5 FFBDHN O=C(CCN(CCCO)Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411333431 512584570 /nfs/dbraw/zinc/58/45/70/512584570.db2.gz XBRCWWUQRCIHAE-UHFFFAOYSA-N 0 3 357.410 2.808 20 5 FFBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(CCc4cncs4)CC3)nc2c1 ZINC000411527767 512674827 /nfs/dbraw/zinc/67/48/27/512674827.db2.gz RAIJLZCXCAXYAH-UHFFFAOYSA-N 0 3 372.454 2.682 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(c2cn[nH]c2)CC1 ZINC000376484366 512838067 /nfs/dbraw/zinc/83/80/67/512838067.db2.gz MGEYAYXRAXDCHU-UHFFFAOYSA-N 0 3 357.414 2.835 20 5 FFBDHN COc1cccc([C@@H]2C[C@H](C)CN2CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000378639138 512860628 /nfs/dbraw/zinc/86/06/28/512860628.db2.gz DPBGPSSFWATKAO-KSSFIOAISA-N 0 3 357.410 2.848 20 5 FFBDHN NC(=O)[C@@]1(c2ccccc2)CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000411963906 512892442 /nfs/dbraw/zinc/89/24/42/512892442.db2.gz IADPXPPUHVLHII-SFHVURJKSA-N 0 3 359.813 2.877 20 5 FFBDHN NC(=O)c1ccc(NC[C@H]2CCCN2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000390708095 512910511 /nfs/dbraw/zinc/91/05/11/512910511.db2.gz SXSAVGPIUFEUCI-MRXNPFEDSA-N 0 3 354.410 2.770 20 5 FFBDHN Cc1n[nH]c([C@@H]2CCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)n1 ZINC000412046951 512929382 /nfs/dbraw/zinc/92/93/82/512929382.db2.gz SZPJZWRGUDQNDN-CYBMUJFWSA-N 0 3 354.370 2.666 20 5 FFBDHN Cc1nc([C@@H]2CCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)n[nH]1 ZINC000412046951 512929385 /nfs/dbraw/zinc/92/93/85/512929385.db2.gz SZPJZWRGUDQNDN-CYBMUJFWSA-N 0 3 354.370 2.666 20 5 FFBDHN Cc1nnc([C@@H]2CCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)[nH]1 ZINC000412046951 512929388 /nfs/dbraw/zinc/92/93/88/512929388.db2.gz SZPJZWRGUDQNDN-CYBMUJFWSA-N 0 3 354.370 2.666 20 5 FFBDHN CN(C)C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)c2ccccc2O1 ZINC000370503704 512967683 /nfs/dbraw/zinc/96/76/83/512967683.db2.gz WVXDEQPJTTWEKB-CYBMUJFWSA-N 0 3 359.357 2.703 20 5 FFBDHN CSC1(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCN(C)CC1 ZINC000412361765 513053629 /nfs/dbraw/zinc/05/36/29/513053629.db2.gz PWXAAWWDXCWHQV-JKSUJKDBSA-N 0 3 363.483 2.642 20 5 FFBDHN CC(C)c1n[nH]c(C(=O)N(CCN(C)C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000433854570 513167694 /nfs/dbraw/zinc/16/76/94/513167694.db2.gz XACYUHZBNUTICB-UHFFFAOYSA-N 0 3 359.430 2.645 20 5 FFBDHN CC(C)c1[nH]nc(C(=O)N(CCN(C)C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000433854570 513167699 /nfs/dbraw/zinc/16/76/99/513167699.db2.gz XACYUHZBNUTICB-UHFFFAOYSA-N 0 3 359.430 2.645 20 5 FFBDHN CS[C@H]1CN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000439756580 513177257 /nfs/dbraw/zinc/17/72/57/513177257.db2.gz LTXHPCHMTBRVOG-CVEARBPZSA-N 0 3 351.472 2.836 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000439898856 513206529 /nfs/dbraw/zinc/20/65/29/513206529.db2.gz JAXTYSZEDHFNIV-ZDUSSCGKSA-N 0 3 350.419 2.799 20 5 FFBDHN CN(C[C@@H]1CCCN1C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000421701472 513374372 /nfs/dbraw/zinc/37/43/72/513374372.db2.gz HSIFVKMXPGQNCA-AWEZNQCLSA-N 0 3 360.439 2.885 20 5 FFBDHN CN(C[C@@H]1CCCN1C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000421703970 513377319 /nfs/dbraw/zinc/37/73/19/513377319.db2.gz NQNIORNVKZKPPQ-AWEZNQCLSA-N 0 3 360.439 2.885 20 5 FFBDHN Cc1cc(N[C@H]2CCO[C@H](c3nccn3C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000450947092 513419701 /nfs/dbraw/zinc/41/97/01/513419701.db2.gz AZJSZMFNLJGMHB-UGSOOPFHSA-N 0 3 367.409 2.939 20 5 FFBDHN O=C(CNC1(CCO)CCCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000440897496 513432183 /nfs/dbraw/zinc/43/21/83/513432183.db2.gz VJWSJVXIYZNQFF-UHFFFAOYSA-N 0 3 355.822 2.862 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@H]1N1CCCC1 ZINC000421806570 513438851 /nfs/dbraw/zinc/43/88/51/513438851.db2.gz ZULYNTNDKZGKRZ-IAGOWNOFSA-N 0 3 363.483 2.863 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)cnc1NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000434960590 513475955 /nfs/dbraw/zinc/47/59/55/513475955.db2.gz VEZANKJCEDEKLJ-QGZVFWFLSA-N 0 3 362.817 2.692 20 5 FFBDHN COc1ccc(OCCN2CCC3(CCC(O)CC3)CC2)c([N+](=O)[O-])c1 ZINC000451142355 513547895 /nfs/dbraw/zinc/54/78/95/513547895.db2.gz BQOFNFDTXXLXKS-UHFFFAOYSA-N 0 3 364.442 2.999 20 5 FFBDHN CCc1ccccc1[C@@H](N)CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000418654272 513594730 /nfs/dbraw/zinc/59/47/30/513594730.db2.gz POMJOCQOIXJMSO-KRWDZBQOSA-N 0 3 356.426 2.999 20 5 FFBDHN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2C)n(C2CCN(C)CC2)n1 ZINC000430496798 513667855 /nfs/dbraw/zinc/66/78/55/513667855.db2.gz HJOZUJHQFNNJFH-UHFFFAOYSA-N 0 3 357.414 2.927 20 5 FFBDHN COc1cccc(C(=O)Nc2cc(C)nn2C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000435814421 513689977 /nfs/dbraw/zinc/68/99/77/513689977.db2.gz VGWVBDLVPZQGER-UHFFFAOYSA-N 0 3 373.413 2.627 20 5 FFBDHN CN(C)C1(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 ZINC000416308181 513702311 /nfs/dbraw/zinc/70/23/11/513702311.db2.gz OXVCPNNZJYWCPB-UHFFFAOYSA-N 0 3 369.421 2.998 20 5 FFBDHN COc1ccc(NC(=O)[C@H](C)N[C@H]2C[C@](C)(OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451485182 513781161 /nfs/dbraw/zinc/78/11/61/513781161.db2.gz IGXBZJLRJCUXCA-GYOIFBIXSA-N 0 3 365.430 2.724 20 5 FFBDHN CCOC(=O)[C@@H]1CCCC[C@@H]1N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451592828 513854721 /nfs/dbraw/zinc/85/47/21/513854721.db2.gz ROUSMKSNOYDQIV-MCIONIFRSA-N 0 3 363.414 2.633 20 5 FFBDHN C[C@H](NC[C@@H](O)Cn1ccnn1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414198115 514007490 /nfs/dbraw/zinc/00/74/90/514007490.db2.gz WBIUKQUWJOFZGE-QWHCGFSZSA-N 0 3 373.438 2.627 20 5 FFBDHN CCOc1ccc([C@@H](C)NCCC(C)(C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000414253155 514023747 /nfs/dbraw/zinc/02/37/47/514023747.db2.gz IDFIXOGMERWBKP-GFCCVEGCSA-N 0 3 358.460 2.857 20 5 FFBDHN CCOc1ccc([C@@H](C)NCC2(CS(C)(=O)=O)CCC2)cc1[N+](=O)[O-] ZINC000414329624 514050541 /nfs/dbraw/zinc/05/05/41/514050541.db2.gz OUWGOFXSFPJGKY-CYBMUJFWSA-N 0 3 370.471 2.859 20 5 FFBDHN O=[N+]([O-])c1ccccc1C[C@H](Nc1ccc(N2CCNCC2)cn1)C1CC1 ZINC000423237989 514089221 /nfs/dbraw/zinc/08/92/21/514089221.db2.gz UOXCXXUXGUZBMY-SFHVURJKSA-N 0 3 367.453 2.833 20 5 FFBDHN CC(C)OCCOC1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000451951764 514091026 /nfs/dbraw/zinc/09/10/26/514091026.db2.gz MKMBHJLWJIBAQQ-UHFFFAOYSA-N 0 3 352.431 2.880 20 5 FFBDHN COC(=O)[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2OC)C[C@H]1c1ccccc1 ZINC000452010800 514133968 /nfs/dbraw/zinc/13/39/68/514133968.db2.gz WFOCZKRHYOJPJL-ZWKOTPCHSA-N 0 3 370.405 2.992 20 5 FFBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1ccc(S(C)(=O)=O)s1 ZINC000449272122 514140487 /nfs/dbraw/zinc/14/04/87/514140487.db2.gz KXJIVNSCVJYHLN-LLVKDONJSA-N 0 3 354.453 2.781 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CCCN(CCCO)C3)o2)cc1 ZINC000449393420 514192302 /nfs/dbraw/zinc/19/23/02/514192302.db2.gz BXJXQBZPMZKIDG-MRXNPFEDSA-N 0 3 359.426 2.791 20 5 FFBDHN C[C@H]1C[C@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000420602232 514196993 /nfs/dbraw/zinc/19/69/93/514196993.db2.gz OLQWAHCQYMZJKM-ZFWWWQNUSA-N 0 3 354.410 2.769 20 5 FFBDHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420601473 514197124 /nfs/dbraw/zinc/19/71/24/514197124.db2.gz NMMWGPSMGAJJLA-INIZCTEOSA-N 0 3 368.437 2.652 20 5 FFBDHN C[C@H]1OCC[C@]1(O)CNCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000433174816 514405729 /nfs/dbraw/zinc/40/57/29/514405729.db2.gz MBEWFRKSIHKZEV-QRWLVFNGSA-N 0 3 371.437 2.992 20 5 FFBDHN COc1ccc(-c2ccc(CNC[C@H]3CCCC(=O)N3)o2)c([N+](=O)[O-])c1 ZINC000433194449 514415708 /nfs/dbraw/zinc/41/57/08/514415708.db2.gz NGFWVIQVOYJDKN-GFCCVEGCSA-N 0 3 359.382 2.622 20 5 FFBDHN COc1cccc([C@H](CNc2ncc([N+](=O)[O-])c(C)n2)N2CCCC2)c1 ZINC000450219092 514549289 /nfs/dbraw/zinc/54/92/89/514549289.db2.gz BTAAGWJUGWRYIF-KRWDZBQOSA-N 0 3 357.414 2.951 20 5 FFBDHN CC(C)NC(=O)c1ccc(NC[C@@]2(N(C)C)CCSC2)c([N+](=O)[O-])c1 ZINC000479467568 514595001 /nfs/dbraw/zinc/59/50/01/514595001.db2.gz QEKTVGTTYFTJHL-KRWDZBQOSA-N 0 3 366.487 2.582 20 5 FFBDHN COc1ccc(C(=O)N(CCN(C)C)Cc2ccsc2)cc1[N+](=O)[O-] ZINC000458207816 514629030 /nfs/dbraw/zinc/62/90/30/514629030.db2.gz WWIZYBIKXZBOGV-UHFFFAOYSA-N 0 3 363.439 2.869 20 5 FFBDHN CC(C)c1ccc(CNCCN2C(=O)NC3(CCCC3)C2=O)cc1[N+](=O)[O-] ZINC000479616438 514658119 /nfs/dbraw/zinc/65/81/19/514658119.db2.gz SZYXCGIOKJLCRG-UHFFFAOYSA-N 0 3 374.441 2.672 20 5 FFBDHN CCOc1cc(N2CCN(C[C@H]3CCO[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000475513903 514696897 /nfs/dbraw/zinc/69/68/97/514696897.db2.gz VWGZLEIXQJSSRF-HOTGVXAUSA-N 0 3 363.458 2.931 20 5 FFBDHN COc1ccc(NC(=O)CN[C@@H]2CCCC[C@H]2OC(F)F)c([N+](=O)[O-])c1 ZINC000502579803 514703106 /nfs/dbraw/zinc/70/31/06/514703106.db2.gz DZBRUKKVOXYLIX-TZMCWYRMSA-N 0 3 373.356 2.682 20 5 FFBDHN COc1cnccc1N1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000475628902 514740200 /nfs/dbraw/zinc/74/02/00/514740200.db2.gz WFPZMNVVODNWCF-UHFFFAOYSA-N 0 3 362.817 2.974 20 5 FFBDHN COc1cc(CN2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000489231143 514761358 /nfs/dbraw/zinc/76/13/58/514761358.db2.gz IPQZPDOHUQGPPA-BFYDXBDKSA-N 0 3 363.458 2.677 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1cccc(C)n1 ZINC000471195930 514792599 /nfs/dbraw/zinc/79/25/99/514792599.db2.gz LWTMOVDORWAKMI-UHFFFAOYSA-N 0 3 358.398 2.767 20 5 FFBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000466923250 514829732 /nfs/dbraw/zinc/82/97/32/514829732.db2.gz JFNHNDHENWGVBG-KDOFPFPSSA-N 0 3 360.458 2.998 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000462160211 514918344 /nfs/dbraw/zinc/91/83/44/514918344.db2.gz UPJYDKACXWLFAS-KUHUBIRLSA-N 0 3 371.412 2.913 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000462190957 514933451 /nfs/dbraw/zinc/93/34/51/514933451.db2.gz RNCWPDHHSNVFGO-FZKQIMNGSA-N 0 3 357.385 2.984 20 5 FFBDHN CN(C)C1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCCCCC1 ZINC000489776959 514971623 /nfs/dbraw/zinc/97/16/23/514971623.db2.gz NJJDCPCYIMZPGX-UHFFFAOYSA-N 0 3 355.460 2.528 20 5 FFBDHN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000503483696 515050288 /nfs/dbraw/zinc/05/02/88/515050288.db2.gz CGOIJAWPSTVNCE-HNNXBMFYSA-N 0 3 372.425 2.755 20 5 FFBDHN C[C@H](NCCc1ccccc1[N+](=O)[O-])c1cccc(NS(C)(=O)=O)c1 ZINC000468008171 515195220 /nfs/dbraw/zinc/19/52/20/515195220.db2.gz ZWRMWGNBFCOBFK-ZDUSSCGKSA-N 0 3 363.439 2.860 20 5 FFBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000485903448 515249671 /nfs/dbraw/zinc/24/96/71/515249671.db2.gz DXTULWNTUKHQEW-NWDGAFQWSA-N 0 3 355.385 2.652 20 5 FFBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1c2c(nn1C)CCCC2 ZINC000462817287 515256822 /nfs/dbraw/zinc/25/68/22/515256822.db2.gz NJIKBGPDXMNYBI-CYBMUJFWSA-N 0 3 371.441 2.714 20 5 FFBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(C(C)(C)CC(C)(C)C)CC2)n1 ZINC000456689825 515353937 /nfs/dbraw/zinc/35/39/37/515353937.db2.gz IQUPLGNTSISSLY-UHFFFAOYSA-N 0 3 365.478 2.784 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000509978972 515388809 /nfs/dbraw/zinc/38/88/09/515388809.db2.gz HVSAJGDYSKABPP-QGZVFWFLSA-N 0 3 369.421 2.673 20 5 FFBDHN CC[C@@H]1CCCCN1CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000499670366 515405627 /nfs/dbraw/zinc/40/56/27/515405627.db2.gz QJEBOZBGKXSUGW-MRXNPFEDSA-N 0 3 371.441 2.775 20 5 FFBDHN COc1cc(CN[C@@H]2CCN(c3ccccc3F)C2)c([N+](=O)[O-])cc1O ZINC000492081930 515499451 /nfs/dbraw/zinc/49/94/51/515499451.db2.gz MIDZRCBVNZRWLI-CYBMUJFWSA-N 0 3 361.373 2.817 20 5 FFBDHN Cc1nc(N2CCOCC2)ccc1N=c1[nH]c2ccccc2cc1[N+](=O)[O-] ZINC000473527137 515648508 /nfs/dbraw/zinc/64/85/08/515648508.db2.gz ZMRLZUHBOQIPAX-UHFFFAOYSA-N 0 3 365.393 2.849 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC3(CCCC3)[C@@H]2c2ccccc2)c1 ZINC000459568207 515657297 /nfs/dbraw/zinc/65/72/97/515657297.db2.gz BDYUYHIEOBTUQP-MSOLQXFVSA-N 0 3 356.426 2.770 20 5 FFBDHN C[C@@H]1[C@@H](NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCCN1C ZINC000454785926 515744081 /nfs/dbraw/zinc/74/40/81/515744081.db2.gz NDKQJPWBFVVXRU-KYJSFNMBSA-N 0 3 360.458 2.967 20 5 FFBDHN C[C@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000487092478 515755362 /nfs/dbraw/zinc/75/53/62/515755362.db2.gz JJMOSGMDFPFHSB-YJBOKZPZSA-N 0 3 369.469 2.605 20 5 FFBDHN C[C@H]1C[C@H]1N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000494386540 515826825 /nfs/dbraw/zinc/82/68/25/515826825.db2.gz NRJHDLZJNSYKCA-MQIPJXDCSA-N 0 3 350.394 2.928 20 5 FFBDHN COC(=O)COc1ccc(CNC[C@H]2CCCCS2)cc1[N+](=O)[O-] ZINC000473988937 515832904 /nfs/dbraw/zinc/83/29/04/515832904.db2.gz XIFLUZOFCDAGNE-CYBMUJFWSA-N 0 3 354.428 2.522 20 5 FFBDHN COc1cnccc1N1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000483213883 515988298 /nfs/dbraw/zinc/98/82/98/515988298.db2.gz MSTZSWXUFMMPRO-UHFFFAOYSA-N 0 3 362.817 2.974 20 5 FFBDHN COC(=O)COc1ccc(CN[C@H]2C[C@@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000474369651 516015377 /nfs/dbraw/zinc/01/53/77/516015377.db2.gz JEKNYEBIMNDBBP-IRXDYDNUSA-N 0 3 370.405 2.867 20 5 FFBDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)Nc1ccncc1[N+](=O)[O-])N(C)C ZINC000478949072 516016752 /nfs/dbraw/zinc/01/67/52/516016752.db2.gz HLQAXLIEBPYXCC-SUMWQHHRSA-N 0 3 357.414 2.533 20 5 FFBDHN C[C@H](c1ccccc1)N1CC[C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000507003300 516049492 /nfs/dbraw/zinc/04/94/92/516049492.db2.gz VRQGWRJIGPKUSX-CJNGLKHVSA-N 0 3 354.410 2.941 20 5 FFBDHN CN1CC[C@@H]2CN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000455406819 516181612 /nfs/dbraw/zinc/18/16/12/516181612.db2.gz WDXPNVWDTQTKJV-RNCFNFMXSA-N 0 3 369.219 2.525 20 5 FFBDHN CC1(C)CCCN(CCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000470297879 516197898 /nfs/dbraw/zinc/19/78/98/516197898.db2.gz QHUKLEWNUICLPZ-UHFFFAOYSA-N 0 3 358.442 2.788 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H]2CCCOc3ccccc32)c1 ZINC000517556129 516361294 /nfs/dbraw/zinc/36/12/94/516361294.db2.gz GIICCSCZBRPECL-CRAIPNDOSA-N 0 3 358.394 2.838 20 5 FFBDHN Cc1cc(OCC(=O)NCc2ccc(CN(C)C)cc2)ccc1[N+](=O)[O-] ZINC000561090184 516373599 /nfs/dbraw/zinc/37/35/99/516373599.db2.gz JHXANEKQGVNXIN-UHFFFAOYSA-N 0 3 357.410 2.660 20 5 FFBDHN CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NCc2ccc([N+](=O)[O-])cc2)s1 ZINC000513106081 516475781 /nfs/dbraw/zinc/47/57/81/516475781.db2.gz GOMYFCLDJKUZOK-QWRGUYRKSA-N 0 3 363.443 2.762 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccccc2OCCN(C)C)c1 ZINC000543900292 516487017 /nfs/dbraw/zinc/48/70/17/516487017.db2.gz JWLINTPWOFTXEL-UHFFFAOYSA-N 0 3 373.409 2.934 20 5 FFBDHN COc1cc(CN[C@H](C)C[C@@H](C)O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000543949785 516511459 /nfs/dbraw/zinc/51/14/59/516511459.db2.gz XMWNZJHRURTWKK-NXEZZACHSA-N 0 3 366.336 2.794 20 5 FFBDHN C[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc2n[nH]cc2c1 ZINC000513204574 516520181 /nfs/dbraw/zinc/52/01/81/516520181.db2.gz GPDSHWOKSUJUQU-LRDDRELGSA-N 0 3 356.382 2.562 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])c(NCCCN2CCN(c3ccncc3)CC2)n1 ZINC000554621814 516550200 /nfs/dbraw/zinc/55/02/00/516550200.db2.gz GVLOGRUVCIOZKS-UHFFFAOYSA-N 0 3 370.457 2.626 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CN1C1CC1 ZINC000554699309 516593395 /nfs/dbraw/zinc/59/33/95/516593395.db2.gz BWJWVVBPLNDRLV-OCCSQVGLSA-N 0 3 371.441 2.543 20 5 FFBDHN COC(=O)c1cccc(OCCN(C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000554836058 516658358 /nfs/dbraw/zinc/65/83/58/516658358.db2.gz XWHMSUJLAMFUHW-UHFFFAOYSA-N 0 3 358.394 2.935 20 5 FFBDHN CN(C)CCCN(C)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000548048109 516726853 /nfs/dbraw/zinc/72/68/53/516726853.db2.gz RHHNNMJUPZCIKR-UHFFFAOYSA-N 0 3 373.403 2.983 20 5 FFBDHN CN1CC[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000548094767 516758432 /nfs/dbraw/zinc/75/84/32/516758432.db2.gz OJWUUYCITFPYDK-MJGOQNOKSA-N 0 3 368.437 2.882 20 5 FFBDHN Cc1ccc(S(=O)(=O)C[C@@H](C)NCCc2cccc([N+](=O)[O-])c2)cc1 ZINC000544613706 516838397 /nfs/dbraw/zinc/83/83/97/516838397.db2.gz LLDKJSASFXAWMR-OAHLLOKOSA-N 0 3 362.451 2.898 20 5 FFBDHN COc1ccc([C@H](CN(C)C)NC(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000551792762 516872322 /nfs/dbraw/zinc/87/23/22/516872322.db2.gz AMIRGVYRKGUBTE-SFHVURJKSA-N 0 3 357.410 2.945 20 5 FFBDHN C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cn2)CCCN1Cc1ccccc1 ZINC000548294180 516879004 /nfs/dbraw/zinc/87/90/04/516879004.db2.gz HXUAHERVSQVGCJ-LJQANCHMSA-N 0 3 354.410 2.774 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CCN(CC)[C@H](C)C1 ZINC000525385637 517024768 /nfs/dbraw/zinc/02/47/68/517024768.db2.gz FCQCQYPGIBKAQG-HIFRSBDPSA-N 0 3 369.487 2.651 20 5 FFBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1C(F)(F)F ZINC000537142853 517055157 /nfs/dbraw/zinc/05/51/57/517055157.db2.gz FRJGZJNIVLQBBK-JQWIXIFHSA-N 0 3 358.320 2.522 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000525544407 517072436 /nfs/dbraw/zinc/07/24/36/517072436.db2.gz BZUZIZVFVOFGNC-MBNYWOFBSA-N 0 3 369.849 2.957 20 5 FFBDHN Cc1ccc(CN2CC[C@H](CN(C)C(=O)c3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000552134517 517100269 /nfs/dbraw/zinc/10/02/69/517100269.db2.gz OCWBKDDUNIDBQQ-CQSZACIVSA-N 0 3 374.466 2.954 20 5 FFBDHN C[C@H](CNc1ncnc2cccc([N+](=O)[O-])c21)N1CCc2ccccc2C1 ZINC000541577661 517121010 /nfs/dbraw/zinc/12/10/10/517121010.db2.gz FFOJMGUPJLXQGY-CQSZACIVSA-N 0 3 363.421 2.819 20 5 FFBDHN CCCN1CCC(N(C)S(=O)(=O)c2ccc(CC)c([N+](=O)[O-])c2)CC1 ZINC000515056380 517193904 /nfs/dbraw/zinc/19/39/04/517193904.db2.gz FVZXEHJNWWZDQV-UHFFFAOYSA-N 0 3 369.487 2.652 20 5 FFBDHN CC(C)CN1CCCC[C@H]1CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000545365087 517200615 /nfs/dbraw/zinc/20/06/15/517200615.db2.gz GNTPLBJQRRSANL-INIZCTEOSA-N 0 3 369.487 2.525 20 5 FFBDHN CN(CCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1F)Cc1ccncc1 ZINC000519844045 517217294 /nfs/dbraw/zinc/21/72/94/517217294.db2.gz OYIRHZZRHLQTSI-UHFFFAOYSA-N 0 3 360.389 2.723 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)[C@H](C)C2CCN(C)CC2)c1 ZINC000541815557 517229693 /nfs/dbraw/zinc/22/96/93/517229693.db2.gz GUTWQAMXXLJXGF-CQSZACIVSA-N 0 3 369.487 2.562 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CCN(C3CCCC3)C2)c1 ZINC000541821586 517232563 /nfs/dbraw/zinc/23/25/63/517232563.db2.gz UHRIUMDNCMMCFE-AWEZNQCLSA-N 0 3 367.471 2.507 20 5 FFBDHN CC(C)(C)[C@@H]1C[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000515415602 517344550 /nfs/dbraw/zinc/34/45/50/517344550.db2.gz VAWUAWJWZGCWBA-BBRMVZONSA-N 0 3 370.471 2.552 20 5 FFBDHN CN1CCN([C@H](CNCc2ccc([N+](=O)[O-])cc2)c2cccs2)CC1 ZINC000559888803 517472712 /nfs/dbraw/zinc/47/27/12/517472712.db2.gz WAYWOQOQZXHDRI-QGZVFWFLSA-N 0 3 360.483 2.735 20 5 FFBDHN Cc1c(Br)cc(C(=O)NC[C@H](C)N2CCCC2)cc1[N+](=O)[O-] ZINC000533578475 517536866 /nfs/dbraw/zinc/53/68/66/517536866.db2.gz ABCCQYHFTQEXBL-JTQLQIEISA-N 0 3 370.247 2.880 20 5 FFBDHN CCc1ccccc1[C@H](N)CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000562965425 517539518 /nfs/dbraw/zinc/53/95/18/517539518.db2.gz VNXYIQYPORZVCL-MRXNPFEDSA-N 0 3 357.410 2.525 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000542404961 517543187 /nfs/dbraw/zinc/54/31/87/517543187.db2.gz CQCAWXXSPBUPSW-GXFFZTMASA-N 0 3 369.874 2.939 20 5 FFBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000546565839 517730551 /nfs/dbraw/zinc/73/05/51/517730551.db2.gz RPRWOVMYEGOMTM-CYBMUJFWSA-N 0 3 351.422 2.812 20 5 FFBDHN O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H](CN1CCCC1)c1ccccc1 ZINC000521533067 517766386 /nfs/dbraw/zinc/76/63/86/517766386.db2.gz JLFFRFHPLOIHLG-SFHVURJKSA-N 0 3 368.437 2.960 20 5 FFBDHN CCN(CCN1CCCCCC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000553885695 517952722 /nfs/dbraw/zinc/95/27/22/517952722.db2.gz FIJOCGFKGHREDY-UHFFFAOYSA-N 0 3 369.487 2.790 20 5 FFBDHN CC(C)C[C@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000557393526 517988349 /nfs/dbraw/zinc/98/83/49/517988349.db2.gz SQFNXLGTFHMHHP-MSOLQXFVSA-N 0 3 359.474 2.984 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCCC[C@@H]2C2CC2)cc1 ZINC000543598026 518149357 /nfs/dbraw/zinc/14/93/57/518149357.db2.gz OYVAZHDCVGCEIH-IAGOWNOFSA-N 0 3 352.456 2.927 20 5 FFBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000531135996 518150191 /nfs/dbraw/zinc/15/01/91/518150191.db2.gz BVSJRGARQWJAKQ-UHFFFAOYSA-N 0 3 371.393 2.988 20 5 FFBDHN CN(C)CCOCCNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000539747922 518153152 /nfs/dbraw/zinc/15/31/52/518153152.db2.gz VWTNNHONGDINSB-UHFFFAOYSA-N 0 3 372.425 2.646 20 5 FFBDHN C[C@]1(NC(=O)Cc2cccc([N+](=O)[O-])c2)CCN(Cc2ccccc2)C1 ZINC000569725656 518260060 /nfs/dbraw/zinc/26/00/60/518260060.db2.gz CYYQUGNPKKSNIS-FQEVSTJZSA-N 0 3 353.422 2.918 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000570032330 518408962 /nfs/dbraw/zinc/40/89/62/518408962.db2.gz ZLAAOJDEJHZJBG-QGZVFWFLSA-N 0 3 355.394 2.722 20 5 FFBDHN CN1CCO[C@@H]2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@@H]21 ZINC000585767608 518590747 /nfs/dbraw/zinc/59/07/47/518590747.db2.gz LSACHTBDMXOVIG-PKOBYXMFSA-N 0 3 357.410 2.760 20 5 FFBDHN CCO[C@@H]1C[C@H](NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C12CCCC2 ZINC000582234053 518652300 /nfs/dbraw/zinc/65/23/00/518652300.db2.gz QIGJZMHGAXUEBJ-DLBZAZTESA-N 0 3 361.442 2.885 20 5 FFBDHN COc1cccc2c1CC[C@H]2NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000570837340 518804601 /nfs/dbraw/zinc/80/46/01/518804601.db2.gz QYYSOGDYRGYMMR-RDTXWAMCSA-N 0 3 358.394 2.620 20 5 FFBDHN Cc1nc(N2CCN(c3ccnc4ccccc43)CC2)ncc1[N+](=O)[O-] ZINC000568019385 518834120 /nfs/dbraw/zinc/83/41/20/518834120.db2.gz WUFGFJAXOGUXGX-UHFFFAOYSA-N 0 3 350.382 2.568 20 5 FFBDHN CCOc1ccc(C(=O)N2CCc3ccccc3[C@H]2CN)cc1[N+](=O)[O-] ZINC000582667606 518866135 /nfs/dbraw/zinc/86/61/35/518866135.db2.gz UGXOHOTUGBRASH-QGZVFWFLSA-N 0 3 355.394 2.692 20 5 FFBDHN CC(=O)N1C[C@@H]2CCC[C@@H](NCc3c(Cl)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000588979416 518887652 /nfs/dbraw/zinc/88/76/52/518887652.db2.gz RSNAEOZNOMPZQB-JGGQBBKZSA-N 0 3 351.834 2.985 20 5 FFBDHN CCOC(=O)Cn1nc(C)c(CN(C)CCc2ccccc2[N+](=O)[O-])c1C ZINC000568444784 519040931 /nfs/dbraw/zinc/04/09/31/519040931.db2.gz AFDMALVEYOLQFY-UHFFFAOYSA-N 0 3 374.441 2.646 20 5 FFBDHN CN(C)CCN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@@H]1CCCO1 ZINC000577442864 519079096 /nfs/dbraw/zinc/07/90/96/519079096.db2.gz FTCMYZYAECYFSI-HNNXBMFYSA-N 0 3 373.400 2.739 20 5 FFBDHN COc1ccc(OCCN2C[C@@H](c3cnn(C)c3)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000583213072 519133936 /nfs/dbraw/zinc/13/39/36/519133936.db2.gz YOBYHGQBNQIHTQ-INIZCTEOSA-N 0 3 374.441 2.841 20 5 FFBDHN Cc1cc(OCC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000580466091 519190049 /nfs/dbraw/zinc/19/00/49/519190049.db2.gz KISDDIGRYMOYRC-CQSZACIVSA-N 0 3 361.442 2.615 20 5 FFBDHN CC(C)N1CC[C@H](N(C)C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000565995813 519236423 /nfs/dbraw/zinc/23/64/23/519236423.db2.gz UNEHZQSEJXFOTD-INIZCTEOSA-N 0 3 373.457 2.743 20 5 FFBDHN COC(=O)c1ccnc(NC[C@H](c2cccs2)N(C)C)c1[N+](=O)[O-] ZINC000590570266 519269748 /nfs/dbraw/zinc/26/97/48/519269748.db2.gz YAKCOJPUAKCVHV-LLVKDONJSA-N 0 3 350.400 2.553 20 5 FFBDHN COC(=O)c1ccnc(NC[C@H](c2ccc(C)cc2)N(C)C)c1[N+](=O)[O-] ZINC000590575867 519271360 /nfs/dbraw/zinc/27/13/60/519271360.db2.gz WPBWYZXKGDWDNK-OAHLLOKOSA-N 0 3 358.398 2.800 20 5 FFBDHN CC[C@@H](C)N[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1ccco1 ZINC000577889332 519308706 /nfs/dbraw/zinc/30/87/06/519308706.db2.gz ZDSZCHWZYAPOGB-MFKMUULPSA-N 0 3 364.377 2.768 20 5 FFBDHN O=[N+]([O-])c1cccc2c1ccnc2N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000590685687 519316511 /nfs/dbraw/zinc/31/65/11/519316511.db2.gz SHDKAVBCHAQYFO-HNNXBMFYSA-N 0 3 356.426 2.834 20 5 FFBDHN O=[N+]([O-])c1cnn(CCN[C@H](c2cncc(Br)c2)C2CC2)c1 ZINC000581027320 519485460 /nfs/dbraw/zinc/48/54/60/519485460.db2.gz SWYPASCERCQOII-AWEZNQCLSA-N 0 3 366.219 2.690 20 5 FFBDHN O=C(Nc1cnc2c(c1)CNCC2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000591310699 519586010 /nfs/dbraw/zinc/58/60/10/519586010.db2.gz CJWKERXGTYETNX-UHFFFAOYSA-N 0 3 367.409 2.832 20 5 FFBDHN C[C@@H]1CCN(CCNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC000575319372 519586718 /nfs/dbraw/zinc/58/67/18/519586718.db2.gz FAHPZVCIWBCMPS-CQSZACIVSA-N 0 3 354.410 2.728 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H](c3cccnc3)C2)c1 ZINC000602855817 519929205 /nfs/dbraw/zinc/92/92/05/519929205.db2.gz PQYMUTUFHUMHHG-AEFFLSMTSA-N 0 3 357.410 2.609 20 5 FFBDHN O=[N+]([O-])c1ccccc1OCCN[C@H](c1ccncc1)C1(CO)CCC1 ZINC000602903928 519963414 /nfs/dbraw/zinc/96/34/14/519963414.db2.gz SVRJODJNHGBJMH-GOSISDBHSA-N 0 3 357.410 2.862 20 5 FFBDHN CSC1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000602921878 519973215 /nfs/dbraw/zinc/97/32/15/519973215.db2.gz BBLUPRAUCFSNOH-UHFFFAOYSA-N 0 3 351.428 2.720 20 5 FFBDHN CC1(C)CNCCN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000591678572 519994581 /nfs/dbraw/zinc/99/45/81/519994581.db2.gz YPIRBGQBHLFLHU-UHFFFAOYSA-N 0 3 374.363 2.626 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2ccccc2N2CCCC2)c1 ZINC000591727890 520012595 /nfs/dbraw/zinc/01/25/95/520012595.db2.gz FHAATHHRLCUWHL-GOSISDBHSA-N 0 3 371.437 2.725 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2ccccc2N2CCCC2)c1 ZINC000591727891 520012797 /nfs/dbraw/zinc/01/27/97/520012797.db2.gz FHAATHHRLCUWHL-SFHVURJKSA-N 0 3 371.437 2.725 20 5 FFBDHN CCCN1CC[C@@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000600110239 520054078 /nfs/dbraw/zinc/05/40/78/520054078.db2.gz ZERCQOQVXBSRKG-SNVBAGLBSA-N 0 3 356.220 2.571 20 5 FFBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCNC2(CCCCC2)C1 ZINC000594628777 520061047 /nfs/dbraw/zinc/06/10/47/520061047.db2.gz JXWIETQJOVRTQR-UHFFFAOYSA-N 0 3 351.834 2.925 20 5 FFBDHN CN(Cc1ccccc1)C[C@@H](O)Cn1ccnc1-c1ccc([N+](=O)[O-])cc1 ZINC000608860479 520147343 /nfs/dbraw/zinc/14/73/43/520147343.db2.gz PNHMDNWEESLRBG-LJQANCHMSA-N 0 3 366.421 2.951 20 5 FFBDHN CN1CC[C@]2(C1)CCCN(C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC000597711497 520191596 /nfs/dbraw/zinc/19/15/96/520191596.db2.gz TZBKDTPYZKXWBR-IBGZPJMESA-N 0 3 359.426 2.502 20 5 FFBDHN Cc1cnn(CCN(Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)c1 ZINC000592130665 520204522 /nfs/dbraw/zinc/20/45/22/520204522.db2.gz HPQLSEUPYZPKGT-IYARVYRRSA-N 0 3 358.442 2.905 20 5 FFBDHN Cc1ccc(CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC2CC2)cn1 ZINC000592145725 520222796 /nfs/dbraw/zinc/22/27/96/520222796.db2.gz ZKGUGJCRMVRLIC-IBGZPJMESA-N 0 3 371.437 2.950 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H](C(C)C)N1CCOCC1 ZINC000595003733 520253201 /nfs/dbraw/zinc/25/32/01/520253201.db2.gz KZFCVEGJXHZPNE-RHSMWYFYSA-N 0 3 351.447 2.611 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2CCN2C2CCCC2)c1 ZINC000600473998 520281348 /nfs/dbraw/zinc/28/13/48/520281348.db2.gz VZLYACFLVRAPIV-MRXNPFEDSA-N 0 3 361.442 2.805 20 5 FFBDHN CS(=O)(=O)C1(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])CCCCC1 ZINC000595079765 520283686 /nfs/dbraw/zinc/28/36/86/520283686.db2.gz YMTGGQGLHFEBKF-OAHLLOKOSA-N 0 3 352.456 2.919 20 5 FFBDHN CC(C)(C)N1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000597922679 520325220 /nfs/dbraw/zinc/32/52/20/520325220.db2.gz KPVMRDWWAAAJRN-JTQLQIEISA-N 0 3 357.357 2.799 20 5 FFBDHN Cc1nccc([C@@H]2CCCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000603834242 520370617 /nfs/dbraw/zinc/37/06/17/520370617.db2.gz NAJMODOOHAIZQX-OAHLLOKOSA-N 0 3 369.425 2.901 20 5 FFBDHN CC[C@@H]1CCCCN1CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000609599238 520373600 /nfs/dbraw/zinc/37/36/00/520373600.db2.gz GWTLCHPDKHVJCE-OAHLLOKOSA-N 0 3 364.446 2.537 20 5 FFBDHN CCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCN(CC)C1 ZINC000598040546 520389619 /nfs/dbraw/zinc/38/96/19/520389619.db2.gz HTNPBLQEPSNTMB-OCCSQVGLSA-N 0 3 369.849 2.958 20 5 FFBDHN O=C(NCC1CCN(Cc2ccncc2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000598061730 520404714 /nfs/dbraw/zinc/40/47/14/520404714.db2.gz GTVYBBFFNCSZDD-UHFFFAOYSA-N 0 3 360.439 2.693 20 5 FFBDHN O=C(NCC1CCN(Cc2ccncc2)CC1)c1csc([N+](=O)[O-])c1 ZINC000598062652 520404878 /nfs/dbraw/zinc/40/48/78/520404878.db2.gz SFAGUWJGDZBPGE-UHFFFAOYSA-N 0 3 360.439 2.693 20 5 FFBDHN C[C@H](c1ccccc1)[C@H](CO)N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000613389175 520478760 /nfs/dbraw/zinc/47/87/60/520478760.db2.gz KDLCXKDYFPSDIQ-KEYYUXOJSA-N 0 3 357.410 2.676 20 5 FFBDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000598195759 520487106 /nfs/dbraw/zinc/48/71/06/520487106.db2.gz RLBZEKNEKOCHIA-HXUWFJFHSA-N 0 3 367.449 2.913 20 5 FFBDHN CCN1CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595535655 520532416 /nfs/dbraw/zinc/53/24/16/520532416.db2.gz IUWOMFAXBVIOCY-LBPRGKRZSA-N 0 3 354.838 2.603 20 5 FFBDHN C[C@@H](CCN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000613704716 520628049 /nfs/dbraw/zinc/62/80/49/520628049.db2.gz MONWOAUGUNFUPG-LBPRGKRZSA-N 0 3 371.279 2.795 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CN(C)C[C@H]2c2ccccc2)c1 ZINC000592881898 520630754 /nfs/dbraw/zinc/63/07/54/520630754.db2.gz OQGYKBWHHAUWQG-QAPCUYQASA-N 0 3 369.421 2.679 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](C(C)C)C2(CO)CC=CC2)c1 ZINC000593035519 520696849 /nfs/dbraw/zinc/69/68/49/520696849.db2.gz QFPAMFRGMJHRPD-QGZVFWFLSA-N 0 3 362.426 2.824 20 5 FFBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@H](CCF)C1 ZINC000595757125 520702726 /nfs/dbraw/zinc/70/27/26/520702726.db2.gz ZPDMVDYFBLCEJE-CYBMUJFWSA-N 0 3 351.378 2.964 20 5 FFBDHN Cn1cc(C[C@H]2CCC[C@@H]2NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cn1 ZINC000595767247 520710173 /nfs/dbraw/zinc/71/01/73/520710173.db2.gz AVVDPCNJAXHVPA-HIFRSBDPSA-N 0 3 354.414 2.706 20 5 FFBDHN CC[C@H]1COC(C)(C)CN1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000593056275 520713641 /nfs/dbraw/zinc/71/36/41/520713641.db2.gz DQHFURNIMLMQNV-ZDUSSCGKSA-N 0 3 365.430 2.821 20 5 FFBDHN COc1cc(CN[C@H]2CCC[C@@H]2Cc2cnn(C)c2)c([N+](=O)[O-])cc1F ZINC000595774017 520714749 /nfs/dbraw/zinc/71/47/49/520714749.db2.gz ZDLLPEUQIHXBON-CJNGLKHVSA-N 0 3 362.405 2.977 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCCN2CCC(O[C@H]3CCOC3)CC2)cc1 ZINC000610504686 520718098 /nfs/dbraw/zinc/71/80/98/520718098.db2.gz ZOCBVEMKTCSSAF-SFHVURJKSA-N 0 3 350.415 2.634 20 5 FFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C[C@H]1C ZINC000598605301 520737974 /nfs/dbraw/zinc/73/79/74/520737974.db2.gz BDQYJAZNMZSWNV-HIFRSBDPSA-N 0 3 369.487 2.705 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC3CC2(c2ccccc2)C3)c1 ZINC000595909784 520814779 /nfs/dbraw/zinc/81/47/79/520814779.db2.gz DITIRONEOAJOCU-RVSXGSNBSA-N 0 3 354.406 2.956 20 5 FFBDHN O=C(Nc1ccc([N+](=O)[O-])cc1F)C(C[C@@H]1COCCO1)C(F)(F)F ZINC000598807791 520852284 /nfs/dbraw/zinc/85/22/84/520852284.db2.gz LNIHNBAIOWGMDM-ZJUUUORDSA-N 0 3 366.267 2.656 20 5 FFBDHN CO[C@@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000596065156 520890557 /nfs/dbraw/zinc/89/05/57/520890557.db2.gz DQXAKZYJBFPZRI-KRWDZBQOSA-N 0 3 370.471 2.553 20 5 FFBDHN CCN1CCN(CCNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000596074574 520894794 /nfs/dbraw/zinc/89/47/94/520894794.db2.gz VODFWVHXQHSORV-UHFFFAOYSA-N 0 3 350.463 2.822 20 5 FFBDHN CC(C)(CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)N1CCc2ccccc2C1 ZINC000596074222 520895184 /nfs/dbraw/zinc/89/51/84/520895184.db2.gz BKDWKYHKBLIOPC-UHFFFAOYSA-N 0 3 368.437 2.943 20 5 FFBDHN Cc1c(Br)c(N2CCc3nccc(N)c3C2)ncc1[N+](=O)[O-] ZINC000598942632 520932118 /nfs/dbraw/zinc/93/21/18/520932118.db2.gz NJCKGVBZZVITAY-UHFFFAOYSA-N 0 3 364.203 2.601 20 5 FFBDHN C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CCN1Cc1ccccc1 ZINC000596144619 520936547 /nfs/dbraw/zinc/93/65/47/520936547.db2.gz MEJPZYZSYBAUTH-HNNXBMFYSA-N 0 3 368.437 2.795 20 5 FFBDHN CSc1cccc(C(=O)N2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000614443658 520968425 /nfs/dbraw/zinc/96/84/25/520968425.db2.gz VLMXGYFYZWTHOC-UHFFFAOYSA-N 0 3 358.423 2.674 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596218884 520976940 /nfs/dbraw/zinc/97/69/40/520976940.db2.gz NGNUZEYLAQDVMC-CXAGYDPISA-N 0 3 354.410 2.626 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC000599085200 521022219 /nfs/dbraw/zinc/02/22/19/521022219.db2.gz XHZZLFQNVKFWJQ-MZKGEVEHSA-N 0 3 359.382 2.885 20 5 FFBDHN Cc1nn(C)c(N2CCN(Cc3ccccc3)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000599143696 521052613 /nfs/dbraw/zinc/05/26/13/521052613.db2.gz VJHFFUMLRPLNBC-KRWDZBQOSA-N 0 3 357.458 2.984 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1NCc1ccc(CN3CC[C@H](O)C3)cc1)CCN2 ZINC000596424585 521065717 /nfs/dbraw/zinc/06/57/17/521065717.db2.gz SRCSDYZLNVEOHK-INIZCTEOSA-N 0 3 368.437 2.742 20 5 FFBDHN CN(C)C[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1ccc(Cl)c(Cl)c1 ZINC000599172056 521069867 /nfs/dbraw/zinc/06/98/67/521069867.db2.gz JMTXJTACHZDLCL-NSHDSACASA-N 0 3 371.228 2.819 20 5 FFBDHN Cc1cc(NCC(C)(C)[C@@]2(O)CCCOC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000596535826 521122584 /nfs/dbraw/zinc/12/25/84/521122584.db2.gz SRVWWFOHXZOQEW-LJQANCHMSA-N 0 3 359.426 2.853 20 5 FFBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000602291268 521262697 /nfs/dbraw/zinc/26/26/97/521262697.db2.gz KMMMPWIRIWFLBW-MAUKXSAKSA-N 0 3 357.454 2.959 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccnc(OCCN(C)C)c1 ZINC000602343834 521290013 /nfs/dbraw/zinc/29/00/13/521290013.db2.gz LUZZIQYMEUCPJV-UHFFFAOYSA-N 0 3 358.398 2.745 20 5 FFBDHN C[C@@H](NC(=O)Nc1ccc2c(c1)OCCNC2)c1cccc([N+](=O)[O-])c1 ZINC000599619151 521336880 /nfs/dbraw/zinc/33/68/80/521336880.db2.gz SLMZRHRPRVDBAO-GFCCVEGCSA-N 0 3 356.382 2.960 20 5 FFBDHN CCC(C)(C)N1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000594020327 521353677 /nfs/dbraw/zinc/35/36/77/521353677.db2.gz HVIQQSRNMOUQKR-UHFFFAOYSA-N 0 3 359.430 2.951 20 5 FFBDHN CC(C)OC(=O)C[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)C ZINC000594039807 521367350 /nfs/dbraw/zinc/36/73/50/521367350.db2.gz IVAHIHUKTWONAR-MRXNPFEDSA-N 0 3 366.414 2.917 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](CC(=O)OC(C)C)C(C)C ZINC000594042511 521368344 /nfs/dbraw/zinc/36/83/44/521368344.db2.gz UEURMCFZTNRZKS-OAHLLOKOSA-N 0 3 365.430 2.798 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000596913194 521375611 /nfs/dbraw/zinc/37/56/11/521375611.db2.gz SRAXKQIOQNPDHR-INIZCTEOSA-N 0 3 362.430 2.532 20 5 FFBDHN COc1cccc(CNC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1OC ZINC000602518812 521393029 /nfs/dbraw/zinc/39/30/29/521393029.db2.gz TYSBIVICSSHKFN-UHFFFAOYSA-N 0 3 372.425 2.766 20 5 FFBDHN CCN1CCN(CCCNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602593166 521429061 /nfs/dbraw/zinc/42/90/61/521429061.db2.gz MSBNMSMVSUXKQG-UHFFFAOYSA-N 0 3 374.407 2.731 20 5 FFBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000594200287 521467012 /nfs/dbraw/zinc/46/70/12/521467012.db2.gz KMSQHOWGEBEMOB-HZPDHXFCSA-N 0 3 369.425 2.527 20 5 FFBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594204718 521470030 /nfs/dbraw/zinc/47/00/30/521470030.db2.gz XOKHXFBGRJYQLV-WMZOPIPTSA-N 0 3 369.425 2.527 20 5 FFBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594284291 521536040 /nfs/dbraw/zinc/53/60/40/521536040.db2.gz UXLCAVWDTNONJK-ROUUACIJSA-N 0 3 360.458 2.796 20 5 FFBDHN COc1c(C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)cccc1[N+](=O)[O-] ZINC000619439899 521568490 /nfs/dbraw/zinc/56/84/90/521568490.db2.gz ULVQUWNNDAAFLQ-CYBMUJFWSA-N 0 3 371.393 2.573 20 5 FFBDHN COc1c(C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)cccc1[N+](=O)[O-] ZINC000619439900 521568856 /nfs/dbraw/zinc/56/88/56/521568856.db2.gz ULVQUWNNDAAFLQ-ZDUSSCGKSA-N 0 3 371.393 2.573 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCN(c2ccncc2)CC1 ZINC000616118294 521624962 /nfs/dbraw/zinc/62/49/62/521624962.db2.gz FUMHFEGPGYJDKG-UHFFFAOYSA-N 0 3 355.398 2.961 20 5 FFBDHN C[C@H]1CCC[N@@H+](C(C)(C)CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000736264523 598367917 /nfs/dbraw/zinc/36/79/17/598367917.db2.gz FKZFJILZJJUTLS-LBPRGKRZSA-N 0 3 359.434 2.697 20 5 FFBDHN C[C@H]1CCC[N@H+](C(C)(C)CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000736264523 598367919 /nfs/dbraw/zinc/36/79/19/598367919.db2.gz FKZFJILZJJUTLS-LBPRGKRZSA-N 0 3 359.434 2.697 20 5 FFBDHN C[C@H]1CCC[N@@H+](C(C)(C)CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000736264523 598367920 /nfs/dbraw/zinc/36/79/20/598367920.db2.gz FKZFJILZJJUTLS-LBPRGKRZSA-N 0 3 359.434 2.697 20 5 FFBDHN C[C@H]1CCC[N@H+](C(C)(C)CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000736264523 598367923 /nfs/dbraw/zinc/36/79/23/598367923.db2.gz FKZFJILZJJUTLS-LBPRGKRZSA-N 0 3 359.434 2.697 20 5 FFBDHN C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824598561 608462792 /nfs/dbraw/zinc/46/27/92/608462792.db2.gz GKQFXCRQWMBVFJ-GFCCVEGCSA-N 0 3 354.370 2.505 20 5 FFBDHN C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824598561 608462794 /nfs/dbraw/zinc/46/27/94/608462794.db2.gz GKQFXCRQWMBVFJ-GFCCVEGCSA-N 0 3 354.370 2.505 20 5 FFBDHN CCN(C(=O)c1cccc([N+](=O)[O-])c1Br)[C@@H]1CCN(CC)C1 ZINC000857310872 730390848 /nfs/dbraw/zinc/39/08/48/730390848.db2.gz JKBXBYFCOJNYHG-LLVKDONJSA-N 0 3 370.247 2.914 20 5 FFBDHN CC1(CCNCc2cc(Br)c([N+](=O)[O-])s2)OCCO1 ZINC000877347525 732347416 /nfs/dbraw/zinc/34/74/16/732347416.db2.gz ZTTBLLWCWWWSDL-UHFFFAOYSA-N 0 3 351.222 2.662 20 5 FFBDHN CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000878944463 732619353 /nfs/dbraw/zinc/61/93/53/732619353.db2.gz XBLZAICEDYNOKD-CABCVRRESA-N 0 3 361.364 2.587 20 5 FFBDHN CO[C@H]1COCC[C@@H]1N(C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000880437535 732908042 /nfs/dbraw/zinc/90/80/42/732908042.db2.gz MMQLHCIJCCPMNS-JSGCOSHPSA-N 0 3 359.220 2.593 20 5 FFBDHN Cc1cc(Cl)c(C(=O)NC[C@H]2CCN2C2CCOCC2)cc1[N+](=O)[O-] ZINC000885886581 733726075 /nfs/dbraw/zinc/72/60/75/733726075.db2.gz ZLZAOTJEEKIRPA-CYBMUJFWSA-N 0 3 367.833 2.540 20 5 FFBDHN COc1ccc(CNC[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)cc1[N+](=O)[O-] ZINC000886340333 733775761 /nfs/dbraw/zinc/77/57/61/733775761.db2.gz FJZPPDNNKNFZBU-VAGZCVSGSA-N 0 3 350.415 2.666 20 5 FFBDHN COC(=O)[C@@H]1CC[C@H](NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000886651996 733813082 /nfs/dbraw/zinc/81/30/82/733813082.db2.gz WPYIJRXKAQZDBZ-SKDRFNHKSA-N 0 3 357.204 2.789 20 5 FFBDHN CN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCN(C2CC2)C1 ZINC000732034219 734712998 /nfs/dbraw/zinc/71/29/98/734712998.db2.gz DHVMNLBEBGIRAY-LBPRGKRZSA-N 0 3 368.231 2.666 20 5 FFBDHN CN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCN(C)C1 ZINC000894047150 734792835 /nfs/dbraw/zinc/79/28/35/734792835.db2.gz HOZDJJAQPZSHNS-CQSZACIVSA-N 0 3 354.838 2.526 20 5 FFBDHN Cc1cc(CCNCc2cc(Br)c([N+](=O)[O-])s2)nn1C ZINC000896818483 735184727 /nfs/dbraw/zinc/18/47/27/735184727.db2.gz DEHHDYVVDKQNAO-UHFFFAOYSA-N 0 3 359.249 2.793 20 5 FFBDHN COc1c(O)ccc(CNC[C@@H]2CCC[C@H](C(F)(F)F)O2)c1[N+](=O)[O-] ZINC000896822162 735184894 /nfs/dbraw/zinc/18/48/94/735184894.db2.gz HSDCYCRGDBDMFC-CMPLNLGQSA-N 0 3 364.320 2.899 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000901230427 735759097 /nfs/dbraw/zinc/75/90/97/735759097.db2.gz PMBDAKDRSIOKIQ-NWDGAFQWSA-N 0 3 361.826 2.505 20 5 FFBDHN COc1ccc(NC(=O)CCN2CC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000761051166 736690625 /nfs/dbraw/zinc/69/06/25/736690625.db2.gz UWJSSXRCHOGGDO-SNVBAGLBSA-N 0 3 361.320 2.816 20 5 FFBDHN NC(=O)[C@@H](CNCc1ccc([N+](=O)[O-])c(Cl)c1)Cc1ccc(F)cc1 ZINC000761525296 736743307 /nfs/dbraw/zinc/74/33/07/736743307.db2.gz FJZPYSUTXNEBPV-CYBMUJFWSA-N 0 3 365.792 2.821 20 5 FFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C[C@H]1C ZINC000771762311 737753402 /nfs/dbraw/zinc/75/34/02/737753402.db2.gz OCSOSCYBOWEZPE-OLZOCXBDSA-N 0 3 373.450 2.536 20 5 FFBDHN COc1ccc(CNCCn2nc(C(F)(F)F)cc2C)cc1[N+](=O)[O-] ZINC000922427647 738143984 /nfs/dbraw/zinc/14/39/84/738143984.db2.gz DOJZZDHDUKFUGK-UHFFFAOYSA-N 0 3 358.320 2.917 20 5 FFBDHN CCS(=O)(=O)c1ccccc1CCNCc1ccc([N+](=O)[O-])cc1F ZINC000922686597 738185654 /nfs/dbraw/zinc/18/56/54/738185654.db2.gz KYEHDBWNDKBPJI-UHFFFAOYSA-N 0 3 366.414 2.860 20 5 FFBDHN O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])C1CCCN(C2CC2)C1=O ZINC000924056993 738365363 /nfs/dbraw/zinc/36/53/63/738365363.db2.gz YSCPVRLDBVBCRI-CYBMUJFWSA-N 0 3 352.774 2.692 20 5 FFBDHN O=C(CN[C@@H]1CCOC12CCCC2)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000934389355 739779529 /nfs/dbraw/zinc/77/95/29/739779529.db2.gz DAFLSYWHGIWOJF-CQSZACIVSA-N 0 3 353.806 2.878 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000805821696 741014072 /nfs/dbraw/zinc/01/40/72/741014072.db2.gz MGSIHPOPHPTYNA-IRXDYDNUSA-N 0 3 350.802 2.995 20 5 FFBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCC1(N2CCOCC2)CC1 ZINC000811495415 741529581 /nfs/dbraw/zinc/52/95/81/741529581.db2.gz DFFBKQMKRQMMSJ-UHFFFAOYSA-N 0 3 360.241 2.856 20 5 FFBDHN CC(COC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)[N+](=O)[O-] ZINC000813105938 741677342 /nfs/dbraw/zinc/67/73/42/741677342.db2.gz VRWYBHUDWFCYIL-JTQLQIEISA-N 0 3 353.762 2.921 20 5 FFBDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000832073193 745630989 /nfs/dbraw/zinc/63/09/89/745630989.db2.gz XDRPZTSVYZJAEY-YPMHNXCESA-N 0 3 369.805 2.508 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000836779644 746304571 /nfs/dbraw/zinc/30/45/71/746304571.db2.gz ICDCPQXLMVTKIQ-ZIAGYGMSSA-N 0 3 357.863 2.674 20 5 FFBDHN CS[C@H]1CN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000843854284 747912384 /nfs/dbraw/zinc/91/23/84/747912384.db2.gz KDRHLSGTGLYAJW-CABCVRRESA-N 0 3 367.446 2.694 20 5 FFBDHN CC([C@@H](OC(=O)c1cc([N+](=O)[O-])cn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845875404 748341691 /nfs/dbraw/zinc/34/16/91/748341691.db2.gz MBISPHWFFWVYCI-YMTOWFKASA-N 0 3 351.290 2.636 20 5 FFBDHN CO[C@@H]1COCC[C@@H]1CC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845875689 748342345 /nfs/dbraw/zinc/34/23/45/748342345.db2.gz BDYJPAQIXMXFON-GADXADSLSA-N 0 3 355.362 2.517 20 5 FFBDHN CSc1c(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cnn1C ZINC000845877039 748342678 /nfs/dbraw/zinc/34/26/78/748342678.db2.gz DMXQGCADQYINEB-TVQRCGJNSA-N 0 3 353.375 2.844 20 5 FFBDHN COc1cc(C(=O)OC[C@H](C)N2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000847958395 748817048 /nfs/dbraw/zinc/81/70/48/748817048.db2.gz JHOSPXVOWHPPST-LBPRGKRZSA-N 0 3 352.387 2.643 20 5 FFBDHN COc1c(O)ccc(CN2C[C@@H]3COC[C@]3(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000896220228 971344904 /nfs/dbraw/zinc/34/49/04/971344904.db2.gz NBKHGMFXBIHBSW-UZLBHIALSA-N 0 3 370.405 2.709 20 5 FFBDHN COc1c([O-])ccc(C[N@@H+]2C[C@@H]3COC[C@]3(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000896220228 971344911 /nfs/dbraw/zinc/34/49/11/971344911.db2.gz NBKHGMFXBIHBSW-UZLBHIALSA-N 0 3 370.405 2.709 20 5 FFBDHN COc1c([O-])ccc(C[N@H+]2C[C@@H]3COC[C@]3(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000896220228 971344921 /nfs/dbraw/zinc/34/49/21/971344921.db2.gz NBKHGMFXBIHBSW-UZLBHIALSA-N 0 3 370.405 2.709 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000134883618 960093068 /nfs/dbraw/zinc/09/30/68/960093068.db2.gz LOJGNWBUKQNTKH-CRAIPNDOSA-N 0 3 353.422 2.917 20 5 FFBDHN CNC(=O)COc1cccc(CNCc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000873016149 1013349905 /nfs/dbraw/zinc/34/99/05/1013349905.db2.gz HFIOAHAGCOSBNW-UHFFFAOYSA-N 0 3 357.410 2.626 20 5 FFBDHN C[C@@H](NC(=O)NC[C@@H]1Cc2ccccc2CN1)c1ccccc1[N+](=O)[O-] ZINC000891751226 965015712 /nfs/dbraw/zinc/01/57/12/965015712.db2.gz RCIJWLIQVSAIKM-CJNGLKHVSA-N 0 3 354.410 2.670 20 5 FFBDHN C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)[C@@H]1CN(C)CCN1C ZINC000895246129 968758396 /nfs/dbraw/zinc/75/83/96/968758396.db2.gz LRGZWYRJFHRBQU-DYVFJYSZSA-N 0 3 373.432 2.842 20 5 FFBDHN C[C@H]1NC[C@H]1Oc1c(Br)cc(Br)cc1[N+](=O)[O-] ZINC001218385338 969897949 /nfs/dbraw/zinc/89/79/49/969897949.db2.gz LGVCJOROURHZEO-MLUIRONXSA-N 0 3 366.009 2.859 20 5 FFBDHN Cc1c(C(=O)NC[C@H](C)N2CCC(C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000067593517 981267951 /nfs/dbraw/zinc/26/79/51/981267951.db2.gz AOXKGFCTAMBGJH-LBPRGKRZSA-N 0 3 364.402 2.662 20 5 FFBDHN C[C@H](NCc1ccc([N+](=O)[O-])cc1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000711061136 990665048 /nfs/dbraw/zinc/66/50/48/990665048.db2.gz RJMUJDYOGZEVDA-XJKSGUPXSA-N 0 3 365.430 2.709 20 5 FFBDHN CC1CCN(c2ccc(C(=O)N3CCN4CCC[C@@H]4C3)cc2[N+](=O)[O-])CC1 ZINC000195316885 990841841 /nfs/dbraw/zinc/84/18/41/990841841.db2.gz HHJPUWICFAGXNF-QGZVFWFLSA-N 0 3 372.469 2.751 20 5 FFBDHN O=C(CNC1([C@H]2CCCCO2)CCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000879735447 1015659077 /nfs/dbraw/zinc/65/90/77/1015659077.db2.gz WNNGUFCKCFXMGF-QGZVFWFLSA-N 0 3 359.426 2.565 20 5 FFBDHN CC(COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccccc1)[N+](=O)[O-] ZINC000813114242 995625212 /nfs/dbraw/zinc/62/52/12/995625212.db2.gz OGWUJNYOBYHGGD-DZUCGIPZSA-N 0 3 360.410 2.668 20 5 FFBDHN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813113172 995625604 /nfs/dbraw/zinc/62/56/04/995625604.db2.gz BTDPLYFVIBVUFR-GFCCVEGCSA-N 0 3 367.361 2.516 20 5 FFBDHN CCc1ccc([C@@H](CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000823984566 996772294 /nfs/dbraw/zinc/77/22/94/996772294.db2.gz LKDFGDOSQNRXAB-RTBURBONSA-N 0 3 371.437 2.610 20 5 FFBDHN COc1cccc(N(CC(=O)OCC(C)[N+](=O)[O-])C(=O)OC(C)(C)C)c1 ZINC000845576997 998596431 /nfs/dbraw/zinc/59/64/31/998596431.db2.gz PUMDFXAYOAMJLD-GFCCVEGCSA-N 0 3 368.386 2.645 20 5 FFBDHN CN(C)CCN(CCc1ccccc1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000741903547 999747633 /nfs/dbraw/zinc/74/76/33/999747633.db2.gz UHCDBAJGBQLJRW-UHFFFAOYSA-N 0 3 355.438 2.770 20 5 FFBDHN Cc1c(C(=O)N(C)CCN2CCCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000846611702 1000392977 /nfs/dbraw/zinc/39/29/77/1000392977.db2.gz GQZHRGNEYNBAQF-UHFFFAOYSA-N 0 3 364.402 2.678 20 5 FFBDHN O=C(CCN1CCc2ccccc2C1)OCCOc1cccc([N+](=O)[O-])c1 ZINC000786815788 1001632329 /nfs/dbraw/zinc/63/23/29/1001632329.db2.gz VYOBXPIDKFLULY-UHFFFAOYSA-N 0 3 370.405 2.965 20 5 FFBDHN Cc1ccc(C(=O)NCCN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1F ZINC000788517797 1001816855 /nfs/dbraw/zinc/81/68/55/1001816855.db2.gz DVYCDKKGPBPRRV-LBPRGKRZSA-N 0 3 360.389 2.705 20 5 FFBDHN CCCN(CCN1CCCCC1)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000804565621 1003728978 /nfs/dbraw/zinc/72/89/78/1003728978.db2.gz ALSNWDUKLXLOTE-UHFFFAOYSA-N 0 3 373.457 2.669 20 5 FFBDHN CCC[N@H+](C)CC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001192894856 1004312582 /nfs/dbraw/zinc/31/25/82/1004312582.db2.gz DETAAAHTMGRMPN-UHFFFAOYSA-N 0 3 363.867 2.647 20 5 FFBDHN CCC[N@@H+](C)CC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001192894856 1004312589 /nfs/dbraw/zinc/31/25/89/1004312589.db2.gz DETAAAHTMGRMPN-UHFFFAOYSA-N 0 3 363.867 2.647 20 5 FFBDHN CCOC(=O)C1=C(Nc2cc(Cl)ccc2C=C[N+](=O)[O-])CCNC1 ZINC001170521346 1004547275 /nfs/dbraw/zinc/54/72/75/1004547275.db2.gz URMHFBQDYIDBCX-SOFGYWHQSA-N 0 3 351.790 2.810 20 5 FFBDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001131095272 1004720509 /nfs/dbraw/zinc/72/05/09/1004720509.db2.gz CTOXBIPYRUKPSR-ZDUSSCGKSA-N 0 3 356.426 2.933 20 5 FFBDHN CC[C@H](C)NC(=O)c1cccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000776276622 1005342685 /nfs/dbraw/zinc/34/26/85/1005342685.db2.gz LDNHSPSLJXXJAL-LIRRHRJNSA-N 0 3 371.437 2.946 20 5 FFBDHN CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000852306943 1005970190 /nfs/dbraw/zinc/97/01/90/1005970190.db2.gz NIGIFLISDSVKOQ-OAHLLOKOSA-N 0 3 367.446 2.863 20 5 FFBDHN C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CCN1Cc1ccccc1 ZINC000813824385 1006045319 /nfs/dbraw/zinc/04/53/19/1006045319.db2.gz YCAFVTAHLDVJSP-SJCJKPOMSA-N 0 3 372.400 2.709 20 5 FFBDHN CCN1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3N)cc2)CC1 ZINC001135597388 1007066687 /nfs/dbraw/zinc/06/66/87/1007066687.db2.gz PSRCAZCTBIIXKD-UHFFFAOYSA-N 0 3 369.425 2.571 20 5 FFBDHN O=C1CCCN1c1cccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000818955586 1007993350 /nfs/dbraw/zinc/99/33/50/1007993350.db2.gz AUQUYNWZQGBCKT-GOSISDBHSA-N 0 3 355.394 2.545 20 5 FFBDHN CCN(C)c1ccccc1CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000819034211 1008028065 /nfs/dbraw/zinc/02/80/65/1008028065.db2.gz WZTJPFOBJSFMSD-INIZCTEOSA-N 0 3 359.426 2.580 20 5 FFBDHN Cc1ccc([C@@H](C)NC[C@@H](O)CN(C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000819135810 1008039980 /nfs/dbraw/zinc/03/99/80/1008039980.db2.gz FYICECFRKXAFOE-UKRRQHHQSA-N 0 3 367.446 2.782 20 5 FFBDHN COCCN1CCC[C@H]1COC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000861037946 1009243974 /nfs/dbraw/zinc/24/39/74/1009243974.db2.gz PNLOAHYEZXPOFU-HNNXBMFYSA-N 0 3 366.414 2.650 20 5 FFBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000794589870 1010409773 /nfs/dbraw/zinc/40/97/73/1010409773.db2.gz BUKFSCJKFAHANU-QBUQCISBSA-N 0 3 367.405 2.813 20 5 FFBDHN COc1cc(CNC[C@H]2c3ccccc3CN2C)c([N+](=O)[O-])cc1OC ZINC000865807556 1010867583 /nfs/dbraw/zinc/86/75/83/1010867583.db2.gz VJYBYKQXABQLBA-KRWDZBQOSA-N 0 3 357.410 2.888 20 5 FFBDHN CN(CCN1CC2(C1)CCOCC2)c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000866256921 1010963421 /nfs/dbraw/zinc/96/34/21/1010963421.db2.gz BWWLTNLONLRLMS-UHFFFAOYSA-N 0 3 356.426 2.692 20 5 FFBDHN CN(Cc1cncnc1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173018865 1012189595 /nfs/dbraw/zinc/18/95/95/1012189595.db2.gz HSQIEIUTQOGOIM-UHFFFAOYSA-N 0 3 363.368 2.764 20 5 FFBDHN COc1ccc(OC)c([C@@H](O)CN(C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000801602060 1019161509 /nfs/dbraw/zinc/16/15/09/1019161509.db2.gz UVISJLJOTRZUNT-SFHVURJKSA-N 0 3 360.410 2.820 20 5 FFBDHN COc1cc([C@@H](C)NCCN2C[C@@H]3CCCCN3C2=O)cc([N+](=O)[O-])c1 ZINC000903204869 1020737367 /nfs/dbraw/zinc/73/73/67/1020737367.db2.gz XJLJLVFYICHYSC-HIFRSBDPSA-N 0 3 362.430 2.544 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H](CO)c2ccccc2C(F)(F)F)c1 ZINC000933241520 1020983010 /nfs/dbraw/zinc/98/30/10/1020983010.db2.gz MRRFPAYRPKGRQV-HZPDHXFCSA-N 0 3 370.327 2.970 20 5 FFBDHN COc1cccc(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000192752156 1024265726 /nfs/dbraw/zinc/26/57/26/1024265726.db2.gz ZEINMMLMDHDSRH-GOEBONIOSA-N 0 3 369.421 2.996 20 5 FFBDHN CCCc1[n-]nc(C(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000837700490 1025971115 /nfs/dbraw/zinc/97/11/15/1025971115.db2.gz UZRZTKBPJQPKQN-CQSZACIVSA-N 0 3 358.398 2.702 20 5 FFBDHN CCCc1[n-]nc(C(=O)O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000837700490 1025971122 /nfs/dbraw/zinc/97/11/22/1025971122.db2.gz UZRZTKBPJQPKQN-CQSZACIVSA-N 0 3 358.398 2.702 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(N(C2CCCC2)C2CCN(C)CC2)n1 ZINC001158493825 1027043897 /nfs/dbraw/zinc/04/38/97/1027043897.db2.gz NGSYPCJLKBURER-UHFFFAOYSA-N 0 3 362.430 2.620 20 5 FFBDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001159596284 1027440296 /nfs/dbraw/zinc/44/02/96/1027440296.db2.gz WSMNKDKHYZXLOV-JTQLQIEISA-N 0 3 359.773 2.754 20 5 FFBDHN Cc1nn(CN2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000795690963 1027813678 /nfs/dbraw/zinc/81/36/78/1027813678.db2.gz BTNPHBLLINVNRF-KURKYZTESA-N 0 3 356.426 2.870 20 5 FFBDHN O=[N+]([O-])c1cnc(NCC2CCN(Cc3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC001161242927 1028091506 /nfs/dbraw/zinc/09/15/06/1028091506.db2.gz JQTUACFQPACTBP-UHFFFAOYSA-N 0 3 372.385 2.617 20 5 FFBDHN CCOC(=O)c1ccnc(-n2c3ccccc3nc2[C@@H](C)N)c1[N+](=O)[O-] ZINC001155256574 1028648056 /nfs/dbraw/zinc/64/80/56/1028648056.db2.gz MZHXRPNWQNIHDL-SNVBAGLBSA-N 0 3 355.354 2.525 20 5 FFBDHN O=C(Nc1ccccc1Nc1ccncc1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001156431869 1029193625 /nfs/dbraw/zinc/19/36/25/1029193625.db2.gz JMPDLLLTLKAFGL-UHFFFAOYSA-N 0 3 351.322 2.508 20 5 FFBDHN CN1CCC(N(Cc2ccc(F)cc2)c2ccc([N+](=O)[O-])c(N)n2)CC1 ZINC001158449192 1029831829 /nfs/dbraw/zinc/83/18/29/1029831829.db2.gz VSZSJGCKYBWKJO-UHFFFAOYSA-N 0 3 359.405 2.812 20 5 FFBDHN COc1nc(C)nc(NC[C@H](c2ccccc2)N2CCCC2)c1[N+](=O)[O-] ZINC001166864628 1030554516 /nfs/dbraw/zinc/55/45/16/1030554516.db2.gz DXNKDFYQPSLOMR-OAHLLOKOSA-N 0 3 357.414 2.951 20 5 FFBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@@H](c2ccccn2)C1 ZINC000799192514 1031688729 /nfs/dbraw/zinc/68/87/29/1031688729.db2.gz YVKMPUOKRKOZCV-CQSZACIVSA-N 0 3 368.393 2.777 20 5 FFBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000831572902 1034129283 /nfs/dbraw/zinc/12/92/83/1034129283.db2.gz XDRXJPKVSMQVLT-JHJVBQTASA-N 0 3 371.359 2.998 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](n1nc(C(F)(F)F)c3c1CNCC3)C2 ZINC001254608916 1040837044 /nfs/dbraw/zinc/83/70/44/1040837044.db2.gz TXIOEOOGJZDMER-LBPRGKRZSA-N 0 3 352.316 2.796 20 5 FFBDHN CC(C)n1cnnc1[C@@H]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001324939957 1046297940 /nfs/dbraw/zinc/29/79/40/1046297940.db2.gz BURRXQQOQIEMFK-WBVHZDCISA-N 0 3 359.430 2.680 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)n1 ZINC001540452377 1070892995 /nfs/dbraw/zinc/89/29/95/1070892995.db2.gz FYPPEDMBQGYONV-SFHVURJKSA-N 0 3 354.410 2.865 20 5 FFBDHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001540453660 1070893689 /nfs/dbraw/zinc/89/36/89/1070893689.db2.gz BFJLAODPKZAEMS-LBPRGKRZSA-N 0 3 363.805 2.538 20 5 FFBDHN CN(C)Cc1ccccc1CNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001542937390 1071340533 /nfs/dbraw/zinc/34/05/33/1071340533.db2.gz PALZTILUYRNAQO-UHFFFAOYSA-N 0 3 362.817 2.822 20 5 FFBDHN C[C@H]1CN(CCCCNc2ncnc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000611709969 1056448125 /nfs/dbraw/zinc/44/81/25/1056448125.db2.gz XJLICQQMXPHXRU-KBPBESRZSA-N 0 3 359.430 2.839 20 5 FFBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1NCCc2ccccc21 ZINC001353644418 1056606635 /nfs/dbraw/zinc/60/66/35/1056606635.db2.gz BKQBBOIUXHPUSI-INIZCTEOSA-N 0 3 357.435 2.934 20 5 FFBDHN Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC001518340734 1058347122 /nfs/dbraw/zinc/34/71/22/1058347122.db2.gz FWSNEUOXJQEWKY-AWEZNQCLSA-N 0 3 368.393 2.918 20 5 FFBDHN CS[C@H]1CN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1N(C)C ZINC001447106527 1058598711 /nfs/dbraw/zinc/59/87/11/1058598711.db2.gz QGGRMZQFFBYNOO-GJZGRUSLSA-N 0 3 371.890 2.685 20 5 FFBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCN[C@H](c2ccccc2)C1 ZINC001472883091 1065166935 /nfs/dbraw/zinc/16/69/35/1065166935.db2.gz FFROWZNUBYKTHI-INIZCTEOSA-N 0 3 355.394 2.841 20 5 FFBDHN C[C@](CO)(NCCCOc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC001473714554 1065329653 /nfs/dbraw/zinc/32/96/53/1065329653.db2.gz UMBNZWNFXLIPFH-LJQANCHMSA-N 0 3 374.393 2.590 20 5 FFBDHN O=C(CNC1([C@H]2CCCO2)CCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001473888002 1065407932 /nfs/dbraw/zinc/40/79/32/1065407932.db2.gz BXDHSWMAFVTOCT-CQSZACIVSA-N 0 3 353.806 2.878 20 5 FFBDHN C[C@@H](NC(=O)Nc1ccnc([C@H]2CCCN2)n1)c1cccc([N+](=O)[O-])c1 ZINC001576216049 1078206756 /nfs/dbraw/zinc/20/67/56/1078206756.db2.gz HUBKIEIICMENHE-BXUZGUMPSA-N 0 3 356.386 2.692 20 5 FFBDHN C[C@@H]1NC[C@H](C)N(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC001576878707 1078284317 /nfs/dbraw/zinc/28/43/17/1078284317.db2.gz IUDGKPMDXDWOOP-SRVKXCTJSA-N 0 3 355.822 2.614 20 5 FFBDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1(CC)CC ZINC001578334707 1078465577 /nfs/dbraw/zinc/46/55/77/1078465577.db2.gz KMKUIINQQYUETQ-HZPDHXFCSA-N 0 3 374.445 2.848 20 5 FFBDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1(CC)CC ZINC001578334707 1078465582 /nfs/dbraw/zinc/46/55/82/1078465582.db2.gz KMKUIINQQYUETQ-HZPDHXFCSA-N 0 3 374.445 2.848 20 5 FFBDHN C[C@@H](CN1CCC[C@H](C)C1)Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001559080730 1076123564 /nfs/dbraw/zinc/12/35/64/1076123564.db2.gz SFLVBJFRNGERJM-KBPBESRZSA-N 0 3 358.442 2.979 20 5 FFBDHN C[C@@](CO)(NCCc1nc(-c2ccccc2)no1)c1cccc([N+](=O)[O-])c1 ZINC001560066247 1076220805 /nfs/dbraw/zinc/22/08/05/1076220805.db2.gz NLGPBIWYJUMMQA-IBGZPJMESA-N 0 3 368.393 2.685 20 5 FFBDHN CN(CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC001560177266 1076242064 /nfs/dbraw/zinc/24/20/64/1076242064.db2.gz QUSBMDPJCYTMCH-HNNXBMFYSA-N 0 3 365.430 2.915 20 5 FFBDHN Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC001587500416 1079801280 /nfs/dbraw/zinc/80/12/80/1079801280.db2.gz SGWQRRWYLGGZPW-QGZVFWFLSA-N 0 3 368.437 2.962 20 5 FFBDHN CC(C)C[N@@H+]1CCC[C@@H](CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001589629850 1080642670 /nfs/dbraw/zinc/64/26/70/1080642670.db2.gz KHORDCGHAAJGJO-ZDUSSCGKSA-N 0 3 359.434 2.555 20 5 FFBDHN CC(C)C[N@H+]1CCC[C@@H](CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001589629850 1080642673 /nfs/dbraw/zinc/64/26/73/1080642673.db2.gz KHORDCGHAAJGJO-ZDUSSCGKSA-N 0 3 359.434 2.555 20 5 FFBDHN CC(C)C[N@@H+]1CCC[C@@H](CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001589629850 1080642676 /nfs/dbraw/zinc/64/26/76/1080642676.db2.gz KHORDCGHAAJGJO-ZDUSSCGKSA-N 0 3 359.434 2.555 20 5 FFBDHN CC(C)C[N@H+]1CCC[C@@H](CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001589629850 1080642679 /nfs/dbraw/zinc/64/26/79/1080642679.db2.gz KHORDCGHAAJGJO-ZDUSSCGKSA-N 0 3 359.434 2.555 20 5 FFBDHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC001589871398 1080819976 /nfs/dbraw/zinc/81/99/76/1080819976.db2.gz WKUXBPFNUZCZQH-NSHDSACASA-N 0 3 356.361 2.807 20 5 FFBDHN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC001589871398 1080819981 /nfs/dbraw/zinc/81/99/81/1080819981.db2.gz WKUXBPFNUZCZQH-NSHDSACASA-N 0 3 356.361 2.807 20 5 FFBDHN C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC001589982329 1080920019 /nfs/dbraw/zinc/92/00/19/1080920019.db2.gz NCUZVKIEXRNVGW-YVEFUNNKSA-N 0 3 367.413 2.878 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N(C)CC2CCN(C)CC2)cc1SC ZINC000103450383 250151150 /nfs/dbraw/zinc/15/11/50/250151150.db2.gz RNEZXVJHYWLPFY-UHFFFAOYSA-N 0 3 367.471 2.739 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CCN(C3CCCC3)C2)c1C ZINC000106891510 250296995 /nfs/dbraw/zinc/29/69/95/250296995.db2.gz KOOANLQVTZBLJU-AWEZNQCLSA-N 0 3 367.471 2.507 20 5 FFBDHN Cc1sc(C(=O)N(CCN(C)C)Cc2cccc(O)c2)cc1[N+](=O)[O-] ZINC000153497451 251145363 /nfs/dbraw/zinc/14/53/63/251145363.db2.gz ZFBZCOSKXQEKKO-UHFFFAOYSA-N 0 3 363.439 2.874 20 5 FFBDHN O=C(CN1CC[C@@H](N2CCCCC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000264640847 251331305 /nfs/dbraw/zinc/33/13/05/251331305.db2.gz VRKJFQBDSPGTTB-CQSZACIVSA-N 0 3 366.849 2.747 20 5 FFBDHN C[C@H]1CCCN(CCN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272576460 252073094 /nfs/dbraw/zinc/07/30/94/252073094.db2.gz XGPLEQZJHZAMMJ-MAUKXSAKSA-N 0 3 357.458 2.739 20 5 FFBDHN C[C@@H](Cc1ccccc1F)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272974454 252180116 /nfs/dbraw/zinc/18/01/16/252180116.db2.gz WQMHQEPLLJGBTR-ZDUSSCGKSA-N 0 3 366.414 2.728 20 5 FFBDHN CS[C@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1N1CCCC1 ZINC000273526911 252325071 /nfs/dbraw/zinc/32/50/71/252325071.db2.gz QKNBYHSUWVVQOJ-SJORKVTESA-N 0 3 374.466 2.728 20 5 FFBDHN CC1(C)[C@@H](C(F)(F)F)CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000276321320 256089702 /nfs/dbraw/zinc/08/97/02/256089702.db2.gz YWDCUSAQWDWDJM-FZMZJTMJSA-N 0 3 362.348 2.997 20 5 FFBDHN C[C@@H](CO)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000276448921 256101043 /nfs/dbraw/zinc/10/10/43/256101043.db2.gz MQBRTDSLCIJDFQ-NSHDSACASA-N 0 3 355.822 2.812 20 5 FFBDHN C[C@H]1CN(C2CCOCC2)CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000278836472 256352898 /nfs/dbraw/zinc/35/28/98/256352898.db2.gz VPMSVSANUSSOKS-AWEZNQCLSA-N 0 3 356.426 2.833 20 5 FFBDHN C[C@H](N[C@@H]1CCC[C@@H]1CCO)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000286261632 257028122 /nfs/dbraw/zinc/02/81/22/257028122.db2.gz STFUFWYPCMGJMP-MISXGVKJSA-N 0 3 355.822 2.716 20 5 FFBDHN C[C@H]1C[C@H](N2CCCC2)CN1c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000286285097 257029211 /nfs/dbraw/zinc/02/92/11/257029211.db2.gz IJZDKMSTEYKOKN-BBRMVZONSA-N 0 3 358.442 2.550 20 5 FFBDHN CCOc1ccc(NC(=O)CN([C@H](C)CO)C2CCCC2)c([N+](=O)[O-])c1 ZINC000287934709 257131506 /nfs/dbraw/zinc/13/15/06/257131506.db2.gz WZAYTOGFKYNDDL-CYBMUJFWSA-N 0 3 365.430 2.557 20 5 FFBDHN COc1cc(CN(C)CCN(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000289777622 257298700 /nfs/dbraw/zinc/29/87/00/257298700.db2.gz KYUGTSFTBHHFLR-UHFFFAOYSA-N 0 3 365.352 2.538 20 5 FFBDHN COc1cc(CNC[C@@]2(CO)C[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000289785419 257299226 /nfs/dbraw/zinc/29/92/26/257299226.db2.gz JUWRLOVZRDFBOU-OXJNMPFZSA-N 0 3 372.421 2.868 20 5 FFBDHN Cn1ccnc1C(=O)c1ccc(N[C@H]2CCN3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000301231497 258035373 /nfs/dbraw/zinc/03/53/73/258035373.db2.gz FRJWWFZECXLSDQ-HOTGVXAUSA-N 0 3 369.425 2.598 20 5 FFBDHN Cc1nn(C)c(Nc2cccc(N3CCN(CC4CC4)CC3)c2)c1[N+](=O)[O-] ZINC000301304839 258041437 /nfs/dbraw/zinc/04/14/37/258041437.db2.gz XKSGDTZNLTYBGL-UHFFFAOYSA-N 0 3 370.457 2.912 20 5 FFBDHN Cc1nn(C)c(N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000312058465 258115615 /nfs/dbraw/zinc/11/56/15/258115615.db2.gz GSQSCKPGJXWNCR-DLBZAZTESA-N 0 3 355.442 2.595 20 5 FFBDHN CC[C@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCN1C[C@@H](C)O ZINC000301428784 258049371 /nfs/dbraw/zinc/04/93/71/258049371.db2.gz FEGREVFYOMLCKL-NEPJUHHUSA-N 0 3 361.364 2.895 20 5 FFBDHN CCN1CCN([C@H](C)CNc2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000301667345 258061793 /nfs/dbraw/zinc/06/17/93/258061793.db2.gz METTZUVLRFIOPB-GFCCVEGCSA-N 0 3 371.279 2.795 20 5 FFBDHN O=[N+]([O-])c1cnc2ccc(N[C@H](CN3CCCC3)c3ccccc3)nn21 ZINC000301840490 258070235 /nfs/dbraw/zinc/07/02/35/258070235.db2.gz OXOIOALHIPSLOR-OAHLLOKOSA-N 0 3 352.398 2.887 20 5 FFBDHN CS[C@@H]1CN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C[C@@H]1N(C)C ZINC000331079781 258176775 /nfs/dbraw/zinc/17/67/75/258176775.db2.gz YKMPXSKXLUWNON-LSDHHAIUSA-N 0 3 352.460 2.721 20 5 FFBDHN C[C@H]1CCCN(c2ccc(C(=O)N3CC[C@@H](N(C)C)C3)cc2[N+](=O)[O-])C1 ZINC000332431007 258230450 /nfs/dbraw/zinc/23/04/50/258230450.db2.gz WSEFSLSJHUGMPS-GOEBONIOSA-N 0 3 360.458 2.607 20 5 FFBDHN CCN1CCN(Cc2ccc(CNc3ccncc3[N+](=O)[O-])cc2)CC1 ZINC000066808991 506648430 /nfs/dbraw/zinc/64/84/30/506648430.db2.gz CTYQFDIRHRQENT-UHFFFAOYSA-N 0 3 355.442 2.739 20 5 FFBDHN O=C(NCc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000043238270 506719730 /nfs/dbraw/zinc/71/97/30/506719730.db2.gz DOQOCNSGEDLCEV-QGZVFWFLSA-N 0 3 354.410 2.669 20 5 FFBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2ccncc2)CC1 ZINC000043342735 506735373 /nfs/dbraw/zinc/73/53/73/506735373.db2.gz HAQXPSUXLGBHPB-UHFFFAOYSA-N 0 3 361.789 2.997 20 5 FFBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(CCC(C)(C)C)CC1 ZINC000055935833 506892366 /nfs/dbraw/zinc/89/23/66/506892366.db2.gz XYYDOLFBHPDQDD-HNNXBMFYSA-N 0 3 362.474 2.976 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000067661740 506967592 /nfs/dbraw/zinc/96/75/92/506967592.db2.gz CYVPPUKSAMLXOP-CYBMUJFWSA-N 0 3 350.419 2.845 20 5 FFBDHN CCCc1n[nH]c(C(=O)NCCCN(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000068660725 507289912 /nfs/dbraw/zinc/28/99/12/507289912.db2.gz GIINUNDNSDNWFH-UHFFFAOYSA-N 0 3 359.430 2.522 20 5 FFBDHN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000047623465 507367095 /nfs/dbraw/zinc/36/70/95/507367095.db2.gz MLADTFHERIHXJF-QGZVFWFLSA-N 0 3 369.421 2.754 20 5 FFBDHN CN(C)[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000027145179 507635169 /nfs/dbraw/zinc/63/51/69/507635169.db2.gz OHKZKHWPTLMHON-KRWDZBQOSA-N 0 3 373.478 2.976 20 5 FFBDHN Cc1c(C(=O)NCC2CCN(c3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000070928557 507664679 /nfs/dbraw/zinc/66/46/79/507664679.db2.gz FFWIYPHYWOKUHJ-UHFFFAOYSA-N 0 3 354.410 2.945 20 5 FFBDHN C[C@@H]1CCCN(c2ccc(C(=O)NCCN3CCCC3)cc2[N+](=O)[O-])C1 ZINC000072906446 507871849 /nfs/dbraw/zinc/87/18/49/507871849.db2.gz YYZXWKWSSAMLLB-OAHLLOKOSA-N 0 3 360.458 2.657 20 5 FFBDHN CC(C)[C@@H](CNc1ccc([N+](=O)[O-])c2cnccc12)N1CCN(C)CC1 ZINC000078886505 507914564 /nfs/dbraw/zinc/91/45/64/507914564.db2.gz NYJJBARRBXARKF-LJQANCHMSA-N 0 3 357.458 2.827 20 5 FFBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(c2nc3ccccc3o2)CC1 ZINC000090516356 507925049 /nfs/dbraw/zinc/92/50/49/507925049.db2.gz VAWDCFURJODETG-UHFFFAOYSA-N 0 3 368.393 2.777 20 5 FFBDHN CCO[C@H]1C[C@@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C12CCCCC2 ZINC000090550710 507926816 /nfs/dbraw/zinc/92/68/16/507926816.db2.gz ZBNMUCQQFWEKKQ-SJORKVTESA-N 0 3 363.458 2.816 20 5 FFBDHN Cc1cc(C(=O)NCC2(N3CCCCC3)CCOCC2)ccc1[N+](=O)[O-] ZINC000109980962 507999188 /nfs/dbraw/zinc/99/91/88/507999188.db2.gz GXOACJYGQLLHRP-UHFFFAOYSA-N 0 3 361.442 2.668 20 5 FFBDHN CNC(=O)[C@@H]1CCCN(Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000111269097 508084528 /nfs/dbraw/zinc/08/45/28/508084528.db2.gz OODQFMMFFSAGCZ-OAHLLOKOSA-N 0 3 350.418 2.904 20 5 FFBDHN CCCc1n[nH]c(C(=O)NC[C@H](C)N(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000111631062 508111743 /nfs/dbraw/zinc/11/17/43/508111743.db2.gz GETSJTWTWNZUPK-ZDUSSCGKSA-N 0 3 359.430 2.521 20 5 FFBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000076397243 508200872 /nfs/dbraw/zinc/20/08/72/508200872.db2.gz HECLFSSGDQOQGF-OAHLLOKOSA-N 0 3 367.409 2.896 20 5 FFBDHN CN(C)Cc1ccc(C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000103201422 508301545 /nfs/dbraw/zinc/30/15/45/508301545.db2.gz BMHPNFRWYSMLER-UHFFFAOYSA-N 0 3 366.381 2.694 20 5 FFBDHN CCOC(=O)c1ccnc(NC[C@@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000077902821 508390215 /nfs/dbraw/zinc/39/02/15/508390215.db2.gz CSIODHOSBBBMIL-HNNXBMFYSA-N 0 3 358.398 2.881 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CN1C1CC1 ZINC000133780131 508448391 /nfs/dbraw/zinc/44/83/91/508448391.db2.gz MZMQTUPOBVSRRH-JOYOIKCWSA-N 0 3 357.332 2.969 20 5 FFBDHN O=C([C@@H](C1CC1)N1CCCC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000127463007 508454474 /nfs/dbraw/zinc/45/44/74/508454474.db2.gz ZBIYALCSXZPAEU-LJQANCHMSA-N 0 3 373.453 2.839 20 5 FFBDHN CC[C@@H](NCc1cccnc1N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000158506518 508714823 /nfs/dbraw/zinc/71/48/23/508714823.db2.gz WEVLQDDCMGPGIR-LJQANCHMSA-N 0 3 369.469 2.983 20 5 FFBDHN CC[C@H](NC(=O)c1ccnc(OCCN(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000119061356 508717549 /nfs/dbraw/zinc/71/75/49/508717549.db2.gz OULXNNXQBRUKRG-KRWDZBQOSA-N 0 3 372.425 2.811 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CN1C1CC1 ZINC000154241839 508744312 /nfs/dbraw/zinc/74/43/12/508744312.db2.gz IUVIJSUCHKKNRE-UKRRQHHQSA-N 0 3 358.442 2.894 20 5 FFBDHN O=C(CN[C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])NCc1ccco1 ZINC000129708485 508756661 /nfs/dbraw/zinc/75/66/61/508756661.db2.gz IMIHDYFKFHBTCP-YOEHRIQHSA-N 0 3 357.410 2.805 20 5 FFBDHN Cc1ccc([C@@H](C)NCc2ccnc(N3CCN(C)CC3)c2)cc1[N+](=O)[O-] ZINC000159155861 508801082 /nfs/dbraw/zinc/80/10/82/508801082.db2.gz BOCDKXHRQQWHBD-MRXNPFEDSA-N 0 3 369.469 2.901 20 5 FFBDHN COc1ccc(-c2ccc(CN3CCC(CC(N)=O)CC3)o2)c([N+](=O)[O-])c1 ZINC000159784663 508890394 /nfs/dbraw/zinc/89/03/94/508890394.db2.gz RCPAIPYUAKASEF-UHFFFAOYSA-N 0 3 373.409 2.951 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCCN(CC(C)C)C1 ZINC000120160997 508940821 /nfs/dbraw/zinc/94/08/21/508940821.db2.gz RXCDGLMIJILKEE-HNNXBMFYSA-N 0 3 369.487 2.550 20 5 FFBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN1CCOC ZINC000132277844 509010048 /nfs/dbraw/zinc/01/00/48/509010048.db2.gz ZGTATODWVDRDGR-CQSZACIVSA-N 0 3 367.471 2.547 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000151787632 509082614 /nfs/dbraw/zinc/08/26/14/509082614.db2.gz BYMUIIKQIIOLGS-OXJNMPFZSA-N 0 3 369.465 2.973 20 5 FFBDHN CN(C)CCN(Cc1ccco1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000121235834 509154544 /nfs/dbraw/zinc/15/45/44/509154544.db2.gz HMEFQWMWHYWXOY-UHFFFAOYSA-N 0 3 363.439 2.870 20 5 FFBDHN O=C(NCC1(N2CCCC2)CCOCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000264233299 509398929 /nfs/dbraw/zinc/39/89/29/509398929.db2.gz YLONVFLJIYAYGJ-UHFFFAOYSA-N 0 3 367.833 2.623 20 5 FFBDHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000192211004 509404563 /nfs/dbraw/zinc/40/45/63/509404563.db2.gz PUYDJSMYRJAXEF-LJQANCHMSA-N 0 3 369.421 2.616 20 5 FFBDHN C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCN(C2CCC2)C1 ZINC000186075036 509512136 /nfs/dbraw/zinc/51/21/36/509512136.db2.gz GDURXNYYXWUVHB-KBPBESRZSA-N 0 3 367.471 2.526 20 5 FFBDHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(OC(F)F)cc1 ZINC000179601171 509530791 /nfs/dbraw/zinc/53/07/91/509530791.db2.gz ZOZZZLTTXYGFIX-NSHDSACASA-N 0 3 353.325 2.709 20 5 FFBDHN COc1ccc(COC[C@H](O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173356478 509550837 /nfs/dbraw/zinc/55/08/37/509550837.db2.gz RSNJFKYBUXDTRX-RDTXWAMCSA-N 0 3 360.410 2.832 20 5 FFBDHN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000183029221 509556160 /nfs/dbraw/zinc/55/61/60/509556160.db2.gz CLVYCIKZBKRTBV-UONOGXRCSA-N 0 3 367.471 2.526 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000264534363 509584953 /nfs/dbraw/zinc/58/49/53/509584953.db2.gz ZFSQLGQLBGZDFY-MRXNPFEDSA-N 0 3 361.442 2.759 20 5 FFBDHN C[C@H](NCc1ccc(C(=O)NCCN(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173428986 509593247 /nfs/dbraw/zinc/59/32/47/509593247.db2.gz DJTMYFMVEFSTHI-HNNXBMFYSA-N 0 3 370.453 2.737 20 5 FFBDHN Cc1c(NC(=O)[C@H](C)N2CC[C@@H](N3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000264668566 509634126 /nfs/dbraw/zinc/63/41/26/509634126.db2.gz ZYKWQPOCLHPJMC-JKSUJKDBSA-N 0 3 360.458 2.790 20 5 FFBDHN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H](N2CCCCC2)C1 ZINC000264703939 509656455 /nfs/dbraw/zinc/65/64/55/509656455.db2.gz AJWHTLUKYKICDV-CQSZACIVSA-N 0 3 370.409 2.549 20 5 FFBDHN C[C@@H](N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C1CCOCC1 ZINC000179876143 509658366 /nfs/dbraw/zinc/65/83/66/509658366.db2.gz JADWNRQBGMZULB-MNOVXSKESA-N 0 3 355.822 2.980 20 5 FFBDHN CCOC[C@@H](N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000189810992 509764904 /nfs/dbraw/zinc/76/49/04/509764904.db2.gz PBVSFEWDSBTULO-SWLSCSKDSA-N 0 3 353.419 2.581 20 5 FFBDHN CN1CC[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000180142720 509774721 /nfs/dbraw/zinc/77/47/21/509774721.db2.gz OHISILKNUUWCOI-HKUYNNGSSA-N 0 3 355.394 2.535 20 5 FFBDHN CC(C)(O)CN(Cc1ccccc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000180222903 509820851 /nfs/dbraw/zinc/82/08/51/509820851.db2.gz VFVFQJFBWNZQPN-GOSISDBHSA-N 0 3 374.437 2.608 20 5 FFBDHN CCOC(=O)c1ccnc(N2CC[C@H]3CC[C@@H](C2)N3C(C)C)c1[N+](=O)[O-] ZINC000173998153 509896734 /nfs/dbraw/zinc/89/67/34/509896734.db2.gz CPWNXAOOTAPDSN-KGLIPLIRSA-N 0 3 362.430 2.618 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000171029640 509899764 /nfs/dbraw/zinc/89/97/64/509899764.db2.gz RWGUJNKLCPJBFI-UHFFFAOYSA-N 0 3 360.389 2.641 20 5 FFBDHN C[C@@H](NCCCN1C(=O)c2ccccc2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000180393994 509901425 /nfs/dbraw/zinc/90/14/25/509901425.db2.gz NAFXBWNLZVXJLT-CYBMUJFWSA-N 0 3 353.378 2.932 20 5 FFBDHN CC(=O)c1cccc(OC[C@H](O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180420202 509919070 /nfs/dbraw/zinc/91/90/70/509919070.db2.gz HNIWXNDKEYCOGP-SCLBCKFNSA-N 0 3 358.394 2.888 20 5 FFBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1Cl ZINC000183767512 509964953 /nfs/dbraw/zinc/96/49/53/509964953.db2.gz GTXNSMWACDWNQP-GXSJLCMTSA-N 0 3 359.213 2.810 20 5 FFBDHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1Cl ZINC000183767526 509965594 /nfs/dbraw/zinc/96/55/94/509965594.db2.gz GTXNSMWACDWNQP-MWLCHTKSSA-N 0 3 359.213 2.810 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](c2cc[nH]n2)C1 ZINC000193585043 509978440 /nfs/dbraw/zinc/97/84/40/509978440.db2.gz RUJQZKYSENXXBL-ZDUSSCGKSA-N 0 3 373.413 2.535 20 5 FFBDHN CC[C@@]1(CO)CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000190214125 510009030 /nfs/dbraw/zinc/00/90/30/510009030.db2.gz DNTRSECHQREIJK-LJQANCHMSA-N 0 3 358.442 2.980 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(c2ncc[nH]2)CC1 ZINC000265556813 510113366 /nfs/dbraw/zinc/11/33/66/510113366.db2.gz ZSAACLLWCJHUPP-UHFFFAOYSA-N 0 3 357.414 2.835 20 5 FFBDHN Cc1[n-]nc(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000269009439 510189915 /nfs/dbraw/zinc/18/99/15/510189915.db2.gz ZAMMYUZLXDRKGU-UHFFFAOYSA-N 0 3 373.413 2.743 20 5 FFBDHN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC1CCN(C2CC2)CC1 ZINC000184371527 510290274 /nfs/dbraw/zinc/29/02/74/510290274.db2.gz PICMLVNPPIQACV-UHFFFAOYSA-N 0 3 352.822 2.674 20 5 FFBDHN CCO[C@@H]1C[C@@H](O)C12CCN(CCCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000265922834 510301407 /nfs/dbraw/zinc/30/14/07/510301407.db2.gz CDYHBVVPNCZSOU-QZTJIDSGSA-N 0 3 364.442 2.616 20 5 FFBDHN CCN(CC)[C@@H](CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])c1ccco1 ZINC000269330236 510344248 /nfs/dbraw/zinc/34/42/48/510344248.db2.gz FBFJEARDRGIGPX-LBPRGKRZSA-N 0 3 363.418 2.847 20 5 FFBDHN Cc1cc(N2CC[C@@H](N3CC=CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000266293356 510503494 /nfs/dbraw/zinc/50/34/94/510503494.db2.gz XEEHJFGODYWCTI-QGZVFWFLSA-N 0 3 351.410 2.811 20 5 FFBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000246487513 510515824 /nfs/dbraw/zinc/51/58/24/510515824.db2.gz GYGPZIODBMOILR-CLCXKQKWSA-N 0 3 372.469 2.871 20 5 FFBDHN O=c1cc(CN2CCC[C@H](OCCO)C2)c2c(ccc3ccccc32)o1 ZINC000172302440 510657495 /nfs/dbraw/zinc/65/74/95/510657495.db2.gz RFTJKGWVKPVCTG-KRWDZBQOSA-N 0 3 353.418 2.920 20 5 FFBDHN Cc1c(CN(C)C[C@]2(O)CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000188294247 510695089 /nfs/dbraw/zinc/69/50/89/510695089.db2.gz FBRXSKNKJVNYTK-OAQYLSRUSA-N 0 3 369.465 2.972 20 5 FFBDHN Cc1cccc(NCc2cccc(C(=O)NCCN(C)C)c2)c1[N+](=O)[O-] ZINC000188375059 510736897 /nfs/dbraw/zinc/73/68/97/510736897.db2.gz OTSQYLGYBLKFRS-UHFFFAOYSA-N 0 3 356.426 2.807 20 5 FFBDHN CN(C)[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000178766877 510761878 /nfs/dbraw/zinc/76/18/78/510761878.db2.gz HDOIUMNULVWJNU-HNNXBMFYSA-N 0 3 360.439 2.501 20 5 FFBDHN O=[N+]([O-])c1ccccc1OCCN[C@H](CN1CCOCC1)c1ccccc1 ZINC000182164444 510790276 /nfs/dbraw/zinc/79/02/76/510790276.db2.gz BVJJINVJBPLUDI-GOSISDBHSA-N 0 3 371.437 2.637 20 5 FFBDHN COc1ccc([C@@H](C)NC[C@H](O)COc2ccccc2[N+](=O)[O-])cc1F ZINC000182179131 510798432 /nfs/dbraw/zinc/79/84/32/510798432.db2.gz ZYXBAAIRZRGHSB-OCCSQVGLSA-N 0 3 364.373 2.833 20 5 FFBDHN O=C(COc1cccc([N+](=O)[O-])c1)NC1CCN(Cc2ccccc2)CC1 ZINC000247314223 510856571 /nfs/dbraw/zinc/85/65/71/510856571.db2.gz JOCPJSPSVQQKNU-UHFFFAOYSA-N 0 3 369.421 2.754 20 5 FFBDHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000247504405 510863578 /nfs/dbraw/zinc/86/35/78/510863578.db2.gz XVFITMASNUQPND-IINYFYTJSA-N 0 3 370.247 2.816 20 5 FFBDHN O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285682652 511008069 /nfs/dbraw/zinc/00/80/69/511008069.db2.gz GKOLIQOXZUBDFF-LJQANCHMSA-N 0 3 355.394 2.926 20 5 FFBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000270933116 511029043 /nfs/dbraw/zinc/02/90/43/511029043.db2.gz LZURLSKJUSSRSG-LBPRGKRZSA-N 0 3 372.425 2.651 20 5 FFBDHN O=C1CC2(CN1)CCN(Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)CC2 ZINC000271202070 511118376 /nfs/dbraw/zinc/11/83/76/511118376.db2.gz UTRHDEURUREKKX-UHFFFAOYSA-N 0 3 355.394 2.957 20 5 FFBDHN CN(C)c1cc(F)c(C(=O)N2CC[C@H](N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000294747957 511164655 /nfs/dbraw/zinc/16/46/55/511164655.db2.gz AIEALWYJOANUPQ-ZDUSSCGKSA-N 0 3 364.421 2.500 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2nc(CNC[C@H]3CN4CCC[C@@H]4CO3)cs2)c1 ZINC000362719299 511224716 /nfs/dbraw/zinc/22/47/16/511224716.db2.gz IGTGPQPUVQPKDS-SJORKVTESA-N 0 3 374.466 2.671 20 5 FFBDHN Cc1nc(N(C)CCC2CCN(c3ccncc3)CC2)ncc1[N+](=O)[O-] ZINC000295108922 511284586 /nfs/dbraw/zinc/28/45/86/511284586.db2.gz VCFJJQMBAXHVHV-UHFFFAOYSA-N 0 3 356.430 2.831 20 5 FFBDHN C[C@H]1[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000291678539 511294691 /nfs/dbraw/zinc/29/46/91/511294691.db2.gz CCGRDFZDNIAUAR-BBRMVZONSA-N 0 3 354.410 2.570 20 5 FFBDHN CC(C)(CCC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1)[N+](=O)[O-] ZINC000295305929 511357472 /nfs/dbraw/zinc/35/74/72/511357472.db2.gz ONLVNRJWGXOUBH-FQEVSTJZSA-N 0 3 359.470 2.947 20 5 FFBDHN COc1ccc(OCCN2CC[C@@](CO)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000292023462 511434958 /nfs/dbraw/zinc/43/49/58/511434958.db2.gz YMYUEPUXBILDAS-HXUWFJFHSA-N 0 3 372.421 2.618 20 5 FFBDHN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CCN(C2CC2)C1 ZINC000295756999 511506440 /nfs/dbraw/zinc/50/64/40/511506440.db2.gz VMGXATLJYHZHAR-HNNXBMFYSA-N 0 3 372.469 2.751 20 5 FFBDHN C[C@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCN(C2CCC2)C1 ZINC000292235936 511516920 /nfs/dbraw/zinc/51/69/20/511516920.db2.gz CSLLFSXZPMMONB-CQSZACIVSA-N 0 3 370.453 2.951 20 5 FFBDHN CN1CC[C@]2(CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C2)C1 ZINC000292331829 511556493 /nfs/dbraw/zinc/55/64/93/511556493.db2.gz UGKIFSNCZPRHTA-HNNXBMFYSA-N 0 3 368.231 2.525 20 5 FFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](N(C)C)C1 ZINC000283957904 511556719 /nfs/dbraw/zinc/55/67/19/511556719.db2.gz LKODCGLINFTHLH-NSHDSACASA-N 0 3 370.247 2.832 20 5 FFBDHN CCN(CCNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C1CC1 ZINC000280897053 511645337 /nfs/dbraw/zinc/64/53/37/511645337.db2.gz HEVLXOCTBCYIIQ-UHFFFAOYSA-N 0 3 354.410 2.871 20 5 FFBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(c2nc[nH]n2)CC1 ZINC000365926014 511731990 /nfs/dbraw/zinc/73/19/90/511731990.db2.gz ZPVRKVVREDJLML-NSHDSACASA-N 0 3 369.385 2.704 20 5 FFBDHN CCN(C)CCNC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000303653304 511746850 /nfs/dbraw/zinc/74/68/50/511746850.db2.gz XLCQQALHLURLON-GASCZTMLSA-N 0 3 362.474 2.759 20 5 FFBDHN CN1CC[C@@H]2OCCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[C@H]2C1 ZINC000284550284 511768593 /nfs/dbraw/zinc/76/85/93/511768593.db2.gz HHLDLYHSLCXYIK-HKUYNNGSSA-N 0 3 357.410 2.760 20 5 FFBDHN C[C@H](NCCOc1cccc(S(C)(=O)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000296538183 511787659 /nfs/dbraw/zinc/78/76/59/511787659.db2.gz DUVDJVNHCJGCKN-ZDUSSCGKSA-N 0 3 364.423 2.728 20 5 FFBDHN [NH3+][C@H]1CCc2nc([N-]C(=O)c3c(Cl)cccc3[N+](=O)[O-])sc2C1 ZINC000323962445 511832949 /nfs/dbraw/zinc/83/29/49/511832949.db2.gz ARHYGCOHIVLJEH-ZETCQYMHSA-N 0 3 352.803 2.773 20 5 FFBDHN CN1CC[C@@H]2OCCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)[C@H]2C1 ZINC000284734932 511844185 /nfs/dbraw/zinc/84/41/85/511844185.db2.gz WBRPACSDOKFBNM-IRXDYDNUSA-N 0 3 374.466 2.623 20 5 FFBDHN C[C@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN(C2CC2)C1 ZINC000296699629 511859829 /nfs/dbraw/zinc/85/98/29/511859829.db2.gz KTXZQYQRQITJRK-LBPRGKRZSA-N 0 3 366.849 2.603 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCN(C(C)C)C2)cc1SC ZINC000274525138 511863510 /nfs/dbraw/zinc/86/35/10/511863510.db2.gz SSYLZSYKZVWBPL-GFCCVEGCSA-N 0 3 367.471 2.928 20 5 FFBDHN Cc1c(NC(=O)[C@H](C)N2CCN(C3CC3)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000296801147 511903554 /nfs/dbraw/zinc/90/35/54/511903554.db2.gz UECRVMFMPWIILU-ZFWWWQNUSA-N 0 3 360.458 2.646 20 5 FFBDHN CC(C)N1CCN([C@H]2CCN(c3ccc([N+](=O)[O-])c4cccnc43)C2)CC1 ZINC000364070866 511942570 /nfs/dbraw/zinc/94/25/70/511942570.db2.gz KIACMAMDNMZNIX-INIZCTEOSA-N 0 3 369.469 2.748 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000281880842 511999072 /nfs/dbraw/zinc/99/90/72/511999072.db2.gz GFDHKYZXBQTVLU-CHWSQXEVSA-N 0 3 350.419 2.940 20 5 FFBDHN Cc1ccc([C@@H](CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)N2CCOCC2)o1 ZINC000293609407 512025750 /nfs/dbraw/zinc/02/57/50/512025750.db2.gz GNGJDHXFQCMVHT-RDTXWAMCSA-N 0 3 374.441 2.803 20 5 FFBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)COCc1cccs1 ZINC000285328495 512078406 /nfs/dbraw/zinc/07/84/06/512078406.db2.gz NQKJJXFEFJVARE-HNNXBMFYSA-N 0 3 350.440 2.708 20 5 FFBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000378540254 512814417 /nfs/dbraw/zinc/81/44/17/512814417.db2.gz KBRCJKDKXUCWIR-MRXNPFEDSA-N 0 3 368.437 2.819 20 5 FFBDHN O=C(CCN1C[C@@H](O)C[C@@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000411920923 512875479 /nfs/dbraw/zinc/87/54/79/512875479.db2.gz CUAIMRAAEPBEFY-MAUKXSAKSA-N 0 3 355.394 2.731 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@](CO)(c3ccccc3)C2)c1 ZINC000374531874 512877353 /nfs/dbraw/zinc/87/73/53/512877353.db2.gz SXXDQKHSZOELGS-UXHICEINSA-N 0 3 356.422 2.654 20 5 FFBDHN COc1ccc(NC(=O)CN[C@H]2CCc3ccccc3OC2)c([N+](=O)[O-])c1 ZINC000374620765 512921060 /nfs/dbraw/zinc/92/10/60/512921060.db2.gz ODOGKIMEVTUSOP-AWEZNQCLSA-N 0 3 371.393 2.525 20 5 FFBDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000374793958 513006817 /nfs/dbraw/zinc/00/68/17/513006817.db2.gz NBXYEAZDOHZIAD-AWEZNQCLSA-N 0 3 372.400 2.663 20 5 FFBDHN CCCN(CCN1CCCC1)C(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412338794 513044712 /nfs/dbraw/zinc/04/47/12/513044712.db2.gz ONONAQMZVQWFHG-UHFFFAOYSA-N 0 3 367.421 2.619 20 5 FFBDHN Cc1nc(N(CCN(C)C)Cc2ccc(F)cc2F)ncc1[N+](=O)[O-] ZINC000450374006 513165301 /nfs/dbraw/zinc/16/53/01/513165301.db2.gz BJNNAAADGRUPPT-UHFFFAOYSA-N 0 3 351.357 2.540 20 5 FFBDHN Cc1ccc(NCCCNC(=O)NC[C@H](N)c2ccccc2)c([N+](=O)[O-])c1 ZINC000417711022 513176813 /nfs/dbraw/zinc/17/68/13/513176813.db2.gz CTUDMQYXHDYIIS-INIZCTEOSA-N 0 3 371.441 2.704 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000439756583 513177599 /nfs/dbraw/zinc/17/75/99/513177599.db2.gz LTXHPCHMTBRVOG-JKSUJKDBSA-N 0 3 351.472 2.836 20 5 FFBDHN NC(=O)[C@H]1CC[C@H](CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000421365054 513238191 /nfs/dbraw/zinc/23/81/91/513238191.db2.gz TXWVKACESHUNOI-XYPYZODXSA-N 0 3 357.357 2.578 20 5 FFBDHN C[C@@H]1C[C@H]1N1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H](C)C1 ZINC000428992581 513242464 /nfs/dbraw/zinc/24/24/64/513242464.db2.gz BHAUZZYUBWEZOP-CKEIUWERSA-N 0 3 371.441 2.807 20 5 FFBDHN CSC1(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)CCN(C)CC1 ZINC000421559281 513308142 /nfs/dbraw/zinc/30/81/42/513308142.db2.gz PJVALXWRPDCMIQ-UHFFFAOYSA-N 0 3 351.472 2.769 20 5 FFBDHN Cc1c(NC(=O)[C@H](C)N[C@H]2Cc3cccc(O)c3C2)cccc1[N+](=O)[O-] ZINC000429312975 513335966 /nfs/dbraw/zinc/33/59/66/513335966.db2.gz PJIGRJNKGOWWMB-JSGCOSHPSA-N 0 3 355.394 2.693 20 5 FFBDHN CCOC(=O)CC1(NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCCC1 ZINC000434609653 513367176 /nfs/dbraw/zinc/36/71/76/513367176.db2.gz TUIWYOGFFNBFPG-UHFFFAOYSA-N 0 3 363.414 2.697 20 5 FFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCCN1C ZINC000421711381 513381685 /nfs/dbraw/zinc/38/16/85/513381685.db2.gz ONQPRGNPWHPNSF-NSHDSACASA-N 0 3 370.247 2.832 20 5 FFBDHN Cc1ccc(C)c(S(=O)(=O)[N-]Cc2ccc([C@@H](C)[NH3+])cc2)c1[N+](=O)[O-] ZINC000440730291 513394159 /nfs/dbraw/zinc/39/41/59/513394159.db2.gz ATXYLRBXZXWLEF-CYBMUJFWSA-N 0 3 363.439 2.710 20 5 FFBDHN CCN1CCN(CC(C)(C)Nc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000450921492 513406360 /nfs/dbraw/zinc/40/63/60/513406360.db2.gz IFXJZLZOQHSHFV-UHFFFAOYSA-N 0 3 357.458 2.971 20 5 FFBDHN O=C1CC[C@@H](NCc2ccc(Br)cc2[N+](=O)[O-])[C@@H](C2CC2)N1 ZINC000425447803 513572141 /nfs/dbraw/zinc/57/21/41/513572141.db2.gz SXDUTAZZOXLMLC-IUODEOHRSA-N 0 3 368.231 2.504 20 5 FFBDHN O=C(CNc1nccc2ccc([N+](=O)[O-])cc21)NCCN1CCCCCC1 ZINC000413302437 513579450 /nfs/dbraw/zinc/57/94/50/513579450.db2.gz MNWPUTFAZOPXIC-UHFFFAOYSA-N 0 3 371.441 2.547 20 5 FFBDHN CCCN(CCN1CCN(CC)CC1)c1nccc2ccc([N+](=O)[O-])cc21 ZINC000413306614 513583025 /nfs/dbraw/zinc/58/30/25/513583025.db2.gz YPERZQORNFAIHW-UHFFFAOYSA-N 0 3 371.485 2.997 20 5 FFBDHN Cc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)n(C2CCN(C)CC2)n1 ZINC000430448466 513656572 /nfs/dbraw/zinc/65/65/72/513656572.db2.gz LQYBFWPVJNBKJJ-UHFFFAOYSA-N 0 3 357.414 2.927 20 5 FFBDHN Cc1cc(OCC(=O)N2C[C@H](N(C)C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000430531173 513677467 /nfs/dbraw/zinc/67/74/67/513677467.db2.gz UGRVQHHSLSDTHV-MRXNPFEDSA-N 0 3 369.421 2.802 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CCN1Cc1ccccc1 ZINC000430662861 513715437 /nfs/dbraw/zinc/71/54/37/513715437.db2.gz KSFDTVUAOZOSFK-GDBMZVCRSA-N 0 3 356.426 2.716 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@@H]3[C@@H]3CCC[C@@H]3O)o2)cc1 ZINC000451413370 513734217 /nfs/dbraw/zinc/73/42/17/513734217.db2.gz GYWMJTHVVZRYPU-XHSDSOJGSA-N 0 3 358.398 2.770 20 5 FFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000416406204 513754721 /nfs/dbraw/zinc/75/47/21/513754721.db2.gz FCGKTBUNWDOOMI-LSDHHAIUSA-N 0 3 369.487 2.562 20 5 FFBDHN Cc1cc(S(=O)(=O)N(C)[C@H](C)C2CCN(C)CC2)c(C)cc1[N+](=O)[O-] ZINC000416460084 513782374 /nfs/dbraw/zinc/78/23/74/513782374.db2.gz UNPFMQWYLKUXMB-CQSZACIVSA-N 0 3 369.487 2.562 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCN1C ZINC000426068455 513839790 /nfs/dbraw/zinc/83/97/90/513839790.db2.gz YHYBJVIRRUYHLJ-GXFFZTMASA-N 0 3 374.363 2.896 20 5 FFBDHN CC(C)[C@H](CO)[C@@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(C)C ZINC000451600770 513859508 /nfs/dbraw/zinc/85/95/08/513859508.db2.gz SQXRKPRTJKNONQ-KSZLIROESA-N 0 3 363.458 2.579 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000426881550 514066909 /nfs/dbraw/zinc/06/69/09/514066909.db2.gz JVXDQDHRECJWBO-MRXNPFEDSA-N 0 3 357.410 2.506 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](Nc1ccc(N3CCNCC3)cn1)CCC2 ZINC000423236184 514088280 /nfs/dbraw/zinc/08/82/80/514088280.db2.gz RTFMTQKQHPAXBS-SFHVURJKSA-N 0 3 353.426 2.889 20 5 FFBDHN CN(C)C1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC1 ZINC000444010863 514099215 /nfs/dbraw/zinc/09/92/15/514099215.db2.gz OEXYVOZMBCTTTB-UHFFFAOYSA-N 0 3 367.424 2.987 20 5 FFBDHN COC(=O)[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC000452005157 514129881 /nfs/dbraw/zinc/12/98/81/514129881.db2.gz LQKWGCLBVUYQAA-IAGOWNOFSA-N 0 3 370.405 2.862 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2noc(CN3CCNC[C@H]3c3ccccc3)n2)c1 ZINC000420409770 514137040 /nfs/dbraw/zinc/13/70/40/514137040.db2.gz QVCVBWWICVATOT-KRWDZBQOSA-N 0 3 365.393 2.791 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437345549 514145435 /nfs/dbraw/zinc/14/54/35/514145435.db2.gz LEJYLWNQWNBMQR-XPTSAGLGSA-N 0 3 357.332 2.826 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420601934 514197558 /nfs/dbraw/zinc/19/75/58/514197558.db2.gz AKIBCHRISHFJPG-CJNGLKHVSA-N 0 3 354.410 2.626 20 5 FFBDHN NC(=O)c1cccc([N+](=O)[O-])c1NC[C@H]1CCCN1Cc1ccccc1 ZINC000420601219 514197637 /nfs/dbraw/zinc/19/76/37/514197637.db2.gz NDVQRGZMSYRDPC-OAHLLOKOSA-N 0 3 354.410 2.770 20 5 FFBDHN CO[C@H]1COCC[C@@H]1CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449452473 514215885 /nfs/dbraw/zinc/21/58/85/514215885.db2.gz GAQQBOIWGFJDKB-CJNGLKHVSA-N 0 3 363.439 2.859 20 5 FFBDHN C[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CCN(C2CC2)C1 ZINC000452167760 514225406 /nfs/dbraw/zinc/22/54/06/514225406.db2.gz CGVFRKMJDLAOGR-ZDUSSCGKSA-N 0 3 363.433 2.954 20 5 FFBDHN CC[C@H](C)N1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000449624320 514272796 /nfs/dbraw/zinc/27/27/96/514272796.db2.gz NKMFHYIRNNUVLQ-HNNXBMFYSA-N 0 3 357.458 2.911 20 5 FFBDHN CC1(C)CCCN(CCNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000444616387 514273834 /nfs/dbraw/zinc/27/38/34/514273834.db2.gz IMRIKTMATUMWKW-UHFFFAOYSA-N 0 3 372.425 2.700 20 5 FFBDHN C[C@@H]1CN(CCCNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CCCO1 ZINC000432880948 514312201 /nfs/dbraw/zinc/31/22/01/514312201.db2.gz VPUDIYMMGCYRLG-MRXNPFEDSA-N 0 3 370.453 2.992 20 5 FFBDHN CN1CCNC[C@@H]1CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414978827 514384117 /nfs/dbraw/zinc/38/41/17/514384117.db2.gz SOSNIKNHCWXCOA-CYBMUJFWSA-N 0 3 364.833 2.501 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC2CCc3ccccc3CC2)cc1 ZINC000453200557 514570188 /nfs/dbraw/zinc/57/01/88/514570188.db2.gz ZOLJULMLMJPOSA-UHFFFAOYSA-N 0 3 374.462 2.906 20 5 FFBDHN Cc1ccc([C@H](C)N[C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000497723643 514609893 /nfs/dbraw/zinc/60/98/93/514609893.db2.gz VTHDQBDGZFSUHK-ZBQZNYHESA-N 0 3 371.441 2.649 20 5 FFBDHN Cn1c(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000461434744 514616362 /nfs/dbraw/zinc/61/63/62/514616362.db2.gz ZCIHLPUNTABPJA-IRXDYDNUSA-N 0 3 368.437 2.527 20 5 FFBDHN Cc1cc(NCCCCN2CCN(c3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000470860880 514644790 /nfs/dbraw/zinc/64/47/90/514644790.db2.gz WEFDVRRCEZVZTE-UHFFFAOYSA-N 0 3 369.469 2.734 20 5 FFBDHN COC1CCN(C2(CNC(=O)c3ccc([N+](=O)[O-])cc3)CCCC2)CC1 ZINC000502542374 514686719 /nfs/dbraw/zinc/68/67/19/514686719.db2.gz NGAHZBMQFVPTCB-UHFFFAOYSA-N 0 3 361.442 2.748 20 5 FFBDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCOC1 ZINC000502649520 514726905 /nfs/dbraw/zinc/72/69/05/514726905.db2.gz TUSNXCJGXTUXSO-WOPDTQHZSA-N 0 3 355.822 2.980 20 5 FFBDHN COCC[C@@H](N[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)(C)C ZINC000508986734 514976308 /nfs/dbraw/zinc/97/63/08/514976308.db2.gz KQMMBAYGIMKJFV-BLLLJJGKSA-N 0 3 367.446 2.971 20 5 FFBDHN COCC[C@@H](N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)(C)C ZINC000508986736 514976601 /nfs/dbraw/zinc/97/66/01/514976601.db2.gz KQMMBAYGIMKJFV-MLGOLLRUSA-N 0 3 367.446 2.971 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](C)CN2CCCCC2)c1C ZINC000480930329 515139552 /nfs/dbraw/zinc/13/95/52/515139552.db2.gz RXMLICLSQVCLAU-ZDUSSCGKSA-N 0 3 369.487 2.612 20 5 FFBDHN Cc1c(CNC(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000490204022 515139681 /nfs/dbraw/zinc/13/96/81/515139681.db2.gz SKPSJCBKKVNGSV-SUNYJGFJSA-N 0 3 360.458 2.775 20 5 FFBDHN O=[N+]([O-])c1cnn(CCNC2(c3ccc(Cl)cc3)CCOCC2)c1 ZINC000472252318 515186397 /nfs/dbraw/zinc/18/63/97/515186397.db2.gz QZCNUYQWRJDZSV-UHFFFAOYSA-N 0 3 350.806 2.740 20 5 FFBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](SC)[C@@H](N(C)C)C1 ZINC000462768684 515231799 /nfs/dbraw/zinc/23/17/99/515231799.db2.gz QJMOFZDPLLLEKH-PVAVHDDUSA-N 0 3 365.499 2.668 20 5 FFBDHN CCC(CC)(CC(=O)OC)NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000472402544 515257286 /nfs/dbraw/zinc/25/72/86/515257286.db2.gz BIZPPENFGFRBPU-UHFFFAOYSA-N 0 3 351.403 2.553 20 5 FFBDHN CNc1c(C(=O)NCc2ccccc2OCCN(C)C)cccc1[N+](=O)[O-] ZINC000462936546 515306320 /nfs/dbraw/zinc/30/63/20/515306320.db2.gz RMPPMWFQNKQTQA-UHFFFAOYSA-N 0 3 372.425 2.507 20 5 FFBDHN C[C@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC(C)CC1 ZINC000486146118 515351823 /nfs/dbraw/zinc/35/18/23/515351823.db2.gz GMKRPUFEJBUCJN-GFCCVEGCSA-N 0 3 355.385 2.652 20 5 FFBDHN CCOC(=O)C[C@@](C)(NCC(=O)Nc1c(C)cccc1[N+](=O)[O-])C(C)C ZINC000481709455 515434487 /nfs/dbraw/zinc/43/44/87/515434487.db2.gz VYTIJHHUOOOWNZ-GOSISDBHSA-N 0 3 365.430 2.799 20 5 FFBDHN CCN(CC)[C@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000468812172 515530603 /nfs/dbraw/zinc/53/06/03/515530603.db2.gz DOLVSICOOQERLM-KRWDZBQOSA-N 0 3 371.503 2.771 20 5 FFBDHN CCOc1cc(CN(C)CC(C)(C)CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000492751153 515559932 /nfs/dbraw/zinc/55/99/32/515559932.db2.gz RVDWFRWWJFBMOR-UHFFFAOYSA-N 0 3 365.474 2.784 20 5 FFBDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1N)N(C)C ZINC000510551402 515583376 /nfs/dbraw/zinc/58/33/76/515583376.db2.gz UFQSAZAHUYMYGQ-FZKQIMNGSA-N 0 3 356.426 2.907 20 5 FFBDHN CCOc1cc(C(=O)NCCN2CCCC2(C)C)c([N+](=O)[O-])cc1OC ZINC000457076446 515631322 /nfs/dbraw/zinc/63/13/22/515631322.db2.gz NTDVNUHOQZFFOK-UHFFFAOYSA-N 0 3 365.430 2.606 20 5 FFBDHN C[C@@H]1CN(CCCCNc2nc3ccccc3cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000473515016 515644098 /nfs/dbraw/zinc/64/40/98/515644098.db2.gz UKXAYZFGKRGCEL-HUUCEWRRSA-N 0 3 358.442 2.866 20 5 FFBDHN C[C@H](CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)N(C)C1CC1 ZINC000454659714 515648169 /nfs/dbraw/zinc/64/81/69/515648169.db2.gz RPXDXEZGWYFQDH-ZBFHGGJFSA-N 0 3 360.458 2.967 20 5 FFBDHN Cc1c([C@H](C)NCCc2nnnn2-c2ccccc2)cccc1[N+](=O)[O-] ZINC000510948123 515724616 /nfs/dbraw/zinc/72/46/16/515724616.db2.gz HWFBOPDNGILWBX-AWEZNQCLSA-N 0 3 352.398 2.772 20 5 FFBDHN C[C@@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@H](C)C1 ZINC000478526956 515858967 /nfs/dbraw/zinc/85/89/67/515858967.db2.gz DZEOGBAEUHENHF-GJZGRUSLSA-N 0 3 371.441 2.631 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCN1C ZINC000501087494 515973580 /nfs/dbraw/zinc/97/35/80/515973580.db2.gz UQWQGTDFMDRWST-KOLCDFICSA-N 0 3 371.235 2.962 20 5 FFBDHN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CCN1Cc1ccccc1 ZINC000464884181 516004894 /nfs/dbraw/zinc/00/48/94/516004894.db2.gz GUAASWFFBISBHT-HNNXBMFYSA-N 0 3 356.426 2.670 20 5 FFBDHN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CCN1Cc1ccccc1 ZINC000464884182 516005074 /nfs/dbraw/zinc/00/50/74/516005074.db2.gz GUAASWFFBISBHT-OAHLLOKOSA-N 0 3 356.426 2.670 20 5 FFBDHN C[C@H](c1ccccc1)N1CC[C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000507003301 516049964 /nfs/dbraw/zinc/04/99/64/516049964.db2.gz VRQGWRJIGPKUSX-CZUORRHYSA-N 0 3 354.410 2.941 20 5 FFBDHN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@H]1CCN(C2CC2)C1 ZINC000495181091 516092383 /nfs/dbraw/zinc/09/23/83/516092383.db2.gz BTBYDRUJCWNAGZ-LBPRGKRZSA-N 0 3 372.347 2.650 20 5 FFBDHN CC1(C)CCCN(CCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000470285141 516194260 /nfs/dbraw/zinc/19/42/60/516194260.db2.gz HNRSMSSARXBLKL-UHFFFAOYSA-N 0 3 356.426 2.995 20 5 FFBDHN O=C([C@@H]1CCCN1C1CCCC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000470290660 516195720 /nfs/dbraw/zinc/19/57/20/516195720.db2.gz WFJWPLQUCVKIMU-SFHVURJKSA-N 0 3 359.426 2.591 20 5 FFBDHN CC1CCN([C@@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)c2ccccc2)CC1 ZINC000507506409 516226239 /nfs/dbraw/zinc/22/62/39/516226239.db2.gz MTVGAHLGECAPQY-INIZCTEOSA-N 0 3 357.414 2.521 20 5 FFBDHN C[C@@H]1C[C@H]1N1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488714511 516291908 /nfs/dbraw/zinc/29/19/08/516291908.db2.gz NCEXXZOOIOFYEJ-HBUWYVDXSA-N 0 3 372.469 2.654 20 5 FFBDHN CSc1cccc(C(=O)NCC2(SC)CCN(C)CC2)c1[N+](=O)[O-] ZINC000460969326 516294163 /nfs/dbraw/zinc/29/41/63/516294163.db2.gz MMPDAYPUVNQJTR-UHFFFAOYSA-N 0 3 369.512 2.874 20 5 FFBDHN CCN1C[C@H](C)N(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C[C@@H]1C ZINC000497558322 516326348 /nfs/dbraw/zinc/32/63/48/516326348.db2.gz NZNYULTUHCWNQF-GJZGRUSLSA-N 0 3 360.458 2.750 20 5 FFBDHN CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000513111072 516478772 /nfs/dbraw/zinc/47/87/72/516478772.db2.gz XUMNIMDMIBOOJZ-INIZCTEOSA-N 0 3 356.426 2.953 20 5 FFBDHN C[C@@H](CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-])N(C)C ZINC000513118675 516482055 /nfs/dbraw/zinc/48/20/55/516482055.db2.gz OBAVSFKVJRYZFL-VIFPVBQESA-N 0 3 353.220 2.689 20 5 FFBDHN COc1cc(CN[C@@H](C)C[C@@H](C)O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000543949787 516510439 /nfs/dbraw/zinc/51/04/39/516510439.db2.gz XMWNZJHRURTWKK-VHSXEESVSA-N 0 3 366.336 2.794 20 5 FFBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000558024820 516556350 /nfs/dbraw/zinc/55/63/50/516556350.db2.gz HGBIIFBWBIBQFB-SQWLQELKSA-N 0 3 361.442 2.796 20 5 FFBDHN CN(C)C[C@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1 ZINC000554655970 516570947 /nfs/dbraw/zinc/57/09/47/516570947.db2.gz SSOLVJLNTWXLFL-INIZCTEOSA-N 0 3 371.372 2.643 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N2CCCC2)cc1SC ZINC000524192864 516666329 /nfs/dbraw/zinc/66/63/29/516666329.db2.gz FYRHMWQEVMFRHT-LLVKDONJSA-N 0 3 353.444 2.539 20 5 FFBDHN CN1CC[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000536193837 516671450 /nfs/dbraw/zinc/67/14/50/516671450.db2.gz ULNOVEBZFLGNOY-OALUTQOASA-N 0 3 368.437 2.882 20 5 FFBDHN Cc1ccc(CNCCCN2C(=O)NC3(CCCCC3)C2=O)cc1[N+](=O)[O-] ZINC000518766171 516765679 /nfs/dbraw/zinc/76/56/79/516765679.db2.gz GIFSQFGSOZQUCY-UHFFFAOYSA-N 0 3 374.441 2.638 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000558514022 516785976 /nfs/dbraw/zinc/78/59/76/516785976.db2.gz YJEBIWUALYXYJA-MRXNPFEDSA-N 0 3 364.446 2.732 20 5 FFBDHN C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@@H]1C ZINC000544511595 516789622 /nfs/dbraw/zinc/78/96/22/516789622.db2.gz ASDVIFMIYRPGJV-PZROIBLQSA-N 0 3 355.394 2.737 20 5 FFBDHN CCN(CCN1CCCCCC1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000561898385 516819546 /nfs/dbraw/zinc/81/95/46/516819546.db2.gz ADGDFVYXSCNTRF-UHFFFAOYSA-N 0 3 374.485 2.682 20 5 FFBDHN C[C@H]1CCN(CCNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C1 ZINC000524774909 516825897 /nfs/dbraw/zinc/82/58/97/516825897.db2.gz ISKREEUHUPHXHP-INIZCTEOSA-N 0 3 374.485 2.903 20 5 FFBDHN COc1ccc(-c2ccc(CN[C@H]3CCC[C@H](C(N)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000532209793 516858149 /nfs/dbraw/zinc/85/81/49/516858149.db2.gz QVIQTZXQXZFUFV-STQMWFEESA-N 0 3 373.409 2.997 20 5 FFBDHN COC(=O)COc1ccc(CN(C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000555338925 516888849 /nfs/dbraw/zinc/88/88/49/516888849.db2.gz PTQAANZCMIYVRK-UHFFFAOYSA-N 0 3 358.394 2.821 20 5 FFBDHN Cn1c(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000525040927 516900981 /nfs/dbraw/zinc/90/09/81/516900981.db2.gz VIQGSLLLMHTHOU-BLLLJJGKSA-N 0 3 362.455 2.808 20 5 FFBDHN CC(=O)NCC1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000532491034 517001804 /nfs/dbraw/zinc/00/18/04/517001804.db2.gz VPCDQPZHLLQEEF-UHFFFAOYSA-N 0 3 372.425 2.640 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CCc1ccccc1O ZINC000541394465 517029905 /nfs/dbraw/zinc/02/99/05/517029905.db2.gz VUIKQSFTTDYYBX-UHFFFAOYSA-N 0 3 373.409 2.812 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@H]1N1CCCC1 ZINC000548517012 517030058 /nfs/dbraw/zinc/03/00/58/517030058.db2.gz YRQXZMIMYFTEDV-HZPDHXFCSA-N 0 3 374.466 2.728 20 5 FFBDHN O=C(NC[C@H]1CCCCN1C1CC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000555808199 517135787 /nfs/dbraw/zinc/13/57/87/517135787.db2.gz FFZYLVNDIFMHGK-MRXNPFEDSA-N 0 3 358.442 2.679 20 5 FFBDHN CN(C)[C@H](CNCCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000548761230 517196976 /nfs/dbraw/zinc/19/69/76/517196976.db2.gz VTYITRZUJHZEEA-OAHLLOKOSA-N 0 3 362.455 2.877 20 5 FFBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000526046916 517312473 /nfs/dbraw/zinc/31/24/73/517312473.db2.gz HGQUUPHZVPVQLI-IQUZECRKSA-N 0 3 352.456 2.944 20 5 FFBDHN COc1ccc(CC(=O)Nc2ccccc2CCN(C)C)cc1[N+](=O)[O-] ZINC000526099763 517344108 /nfs/dbraw/zinc/34/41/08/517344108.db2.gz GRDDIVBJLMURLV-UHFFFAOYSA-N 0 3 357.410 2.889 20 5 FFBDHN Cc1cc(-c2nc(-c3ccnc(OCCN(C)C)c3)no2)ccc1[N+](=O)[O-] ZINC000545761217 517359220 /nfs/dbraw/zinc/35/92/20/517359220.db2.gz HGAZYANBOWXSCE-UHFFFAOYSA-N 0 3 369.381 2.956 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCCOc2cccc(Cl)c2)c1 ZINC000515466958 517363828 /nfs/dbraw/zinc/36/38/28/517363828.db2.gz HOFJXOQSPYYQRJ-HNNXBMFYSA-N 0 3 366.801 2.657 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](C)CN2CCCCC2)c1C ZINC000515520506 517390475 /nfs/dbraw/zinc/39/04/75/517390475.db2.gz HULVAUNYUQJFFA-ZDUSSCGKSA-N 0 3 369.487 2.612 20 5 FFBDHN CCOc1ccc(CN(C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000542210641 517440277 /nfs/dbraw/zinc/44/02/77/517440277.db2.gz VTQLKRIHYBNZSX-MRXNPFEDSA-N 0 3 360.410 2.865 20 5 FFBDHN CCN(C(=O)c1c[nH]nc1[N+](=O)[O-])[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000549217825 517462428 /nfs/dbraw/zinc/46/24/28/517462428.db2.gz AAYSCILHEKFKBO-ZFWWWQNUSA-N 0 3 357.414 2.616 20 5 FFBDHN C[C@@H](CNC[C@H](O)COc1cccc([N+](=O)[O-])c1)Oc1ccc(F)cc1 ZINC000562993211 517566006 /nfs/dbraw/zinc/56/60/06/517566006.db2.gz AWAVUMZLMBWFEA-BBRMVZONSA-N 0 3 364.373 2.531 20 5 FFBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](N)Cc3ccccc32)cc1OC ZINC000516174759 517600743 /nfs/dbraw/zinc/60/07/43/517600743.db2.gz UPYVRNPLWFSYFK-CYBMUJFWSA-N 0 3 371.393 2.532 20 5 FFBDHN CN(C)[C@H](CNc1ncnc2cccc([N+](=O)[O-])c21)Cc1ccccc1 ZINC000542509107 517602618 /nfs/dbraw/zinc/60/26/18/517602618.db2.gz KBWUIGRURLYVDF-HNNXBMFYSA-N 0 3 351.410 2.545 20 5 FFBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533801225 517616938 /nfs/dbraw/zinc/61/69/38/517616938.db2.gz HJDRHDJEXRTGBD-GASCZTMLSA-N 0 3 360.458 2.925 20 5 FFBDHN CS[C@@H]1CN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1N(C)C ZINC000533928436 517672358 /nfs/dbraw/zinc/67/23/58/517672358.db2.gz QQUMIOFKPNGYRY-HZPDHXFCSA-N 0 3 373.482 2.842 20 5 FFBDHN CCCN(CCN1CCCC1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000553388101 517684374 /nfs/dbraw/zinc/68/43/74/517684374.db2.gz SXRGXMWZJQRGPI-UHFFFAOYSA-N 0 3 371.441 2.729 20 5 FFBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCCN(C)Cc1ccco1 ZINC000556882793 517726850 /nfs/dbraw/zinc/72/68/50/517726850.db2.gz DTCLEMLNEIPBHS-OAHLLOKOSA-N 0 3 374.441 2.969 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCCN(C)Cc1ccncc1 ZINC000556934254 517756139 /nfs/dbraw/zinc/75/61/39/517756139.db2.gz QVSNWPPSKVPOSS-UHFFFAOYSA-N 0 3 356.426 2.892 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H](COc2ccccc2)C1 ZINC000543185952 517954495 /nfs/dbraw/zinc/95/44/95/517954495.db2.gz BKOBWQLZFRATCT-IAGOWNOFSA-N 0 3 372.421 2.735 20 5 FFBDHN COc1cc(C[C@H](CO)CNCc2cccc([N+](=O)[O-])c2)cc(OC)c1 ZINC000530870549 518022694 /nfs/dbraw/zinc/02/26/94/518022694.db2.gz WXOGHNPAMUYFGK-INIZCTEOSA-N 0 3 360.410 2.553 20 5 FFBDHN C[C@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)N1CCCC[C@@H]1C ZINC000535282378 518173040 /nfs/dbraw/zinc/17/30/40/518173040.db2.gz VVUAHSCYWNADNB-LSDHHAIUSA-N 0 3 360.458 2.925 20 5 FFBDHN CCN1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C2CC2)CC1 ZINC000578516816 518248456 /nfs/dbraw/zinc/24/84/56/518248456.db2.gz ZQGKIXCQYOWUIG-UHFFFAOYSA-N 0 3 356.430 2.720 20 5 FFBDHN Cc1cccc(-c2ccc(CNC[C@@H](O)Cn3cc([N+](=O)[O-])cn3)cc2)c1 ZINC000567042769 518325118 /nfs/dbraw/zinc/32/51/18/518325118.db2.gz VGJZJVJJGDQJEP-HXUWFJFHSA-N 0 3 366.421 2.917 20 5 FFBDHN CO[C@H](C)[C@@H](C)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000567318650 518461575 /nfs/dbraw/zinc/46/15/75/518461575.db2.gz SHSZARIFKBHESJ-OPRDCNLKSA-N 0 3 363.336 2.954 20 5 FFBDHN CC1=C[C@@H](C)C[C@H](CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000564579908 518512073 /nfs/dbraw/zinc/51/20/73/518512073.db2.gz WOKVOKJKHWFERN-HIFRSBDPSA-N 0 3 352.456 2.951 20 5 FFBDHN Cc1cc2cc(CNC[C@@H](O)COc3cccc([N+](=O)[O-])c3)ccc2[nH]1 ZINC000567606615 518610803 /nfs/dbraw/zinc/61/08/03/518610803.db2.gz YKWNIBHSZQAIAD-QGZVFWFLSA-N 0 3 355.394 2.914 20 5 FFBDHN CCCN(CCN1CCCC1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000576503915 518624394 /nfs/dbraw/zinc/62/43/94/518624394.db2.gz NGOWAKOBTYLTMH-UHFFFAOYSA-N 0 3 351.447 2.920 20 5 FFBDHN O=[N+]([O-])c1cc(F)c(CN2CCCN(C[C@@H]3CCCO3)CC2)c(F)c1 ZINC000586760548 518632406 /nfs/dbraw/zinc/63/24/06/518632406.db2.gz LEVBJTMJCFGYCJ-AWEZNQCLSA-N 0 3 355.385 2.560 20 5 FFBDHN C[C@@H]1CN(c2ccccc2CNCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000582346048 518707973 /nfs/dbraw/zinc/70/79/73/518707973.db2.gz ISYWDRBKYCANHL-MRXNPFEDSA-N 0 3 371.437 2.989 20 5 FFBDHN C[C@H](COc1cccc(F)c1)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570675628 518726445 /nfs/dbraw/zinc/72/64/45/518726445.db2.gz PRYOFAGWJFRLKP-HIFRSBDPSA-N 0 3 364.373 2.531 20 5 FFBDHN O=C(CCNCc1ccc(N2CCCC2)nc1)Nc1ccccc1[N+](=O)[O-] ZINC000570710068 518743158 /nfs/dbraw/zinc/74/31/58/518743158.db2.gz DCJBRVXQCGGWSS-UHFFFAOYSA-N 0 3 369.425 2.708 20 5 FFBDHN COc1ccccc1[C@]1(C)C[C@H]1NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000582481635 518774652 /nfs/dbraw/zinc/77/46/52/518774652.db2.gz BZCOKJMRTRCOAF-KPOBHBOGSA-N 0 3 372.421 2.663 20 5 FFBDHN C[C@@]1(CNc2nccc(C(N)=O)c2[N+](=O)[O-])CCCN1Cc1ccccc1 ZINC000579656676 518784516 /nfs/dbraw/zinc/78/45/16/518784516.db2.gz ACDFLUGAWRKTRU-IBGZPJMESA-N 0 3 369.425 2.555 20 5 FFBDHN C[C@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N1[C@H](C)CC[C@H]1C ZINC000576915292 518823482 /nfs/dbraw/zinc/82/34/82/518823482.db2.gz LWRNHPQRALITKB-MGPQQGTHSA-N 0 3 358.442 2.996 20 5 FFBDHN Cc1cccc2c1OCC[C@H]2NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570955627 518859225 /nfs/dbraw/zinc/85/92/25/518859225.db2.gz TWGLURMXETUQKS-GOEBONIOSA-N 0 3 358.394 2.756 20 5 FFBDHN CCC[C@H](O)[C@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000579936439 518927683 /nfs/dbraw/zinc/92/76/83/518927683.db2.gz RZYQNHHCPCCYIG-HOTGVXAUSA-N 0 3 350.440 2.935 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000582840731 518947976 /nfs/dbraw/zinc/94/79/76/518947976.db2.gz IXXBSVNZDHXMMF-NSISKUIASA-N 0 3 372.421 2.844 20 5 FFBDHN CC[C@@H](CNCc1cc(I)cc([N+](=O)[O-])c1)OC ZINC000582874071 518961774 /nfs/dbraw/zinc/96/17/74/518961774.db2.gz BGCLBBZJPDZYQY-LBPRGKRZSA-N 0 3 364.183 2.714 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H]1CCCOc2ccccc21 ZINC000571198626 518974875 /nfs/dbraw/zinc/97/48/75/518974875.db2.gz SMWGTLAFYKAWRG-GDBMZVCRSA-N 0 3 358.394 2.838 20 5 FFBDHN CCn1c(C)nc([N+](=O)[O-])c1N(CCN(C)C)Cc1cccc(OC)c1 ZINC000568316761 518977354 /nfs/dbraw/zinc/97/73/54/518977354.db2.gz PKXYIIRHQQYSFI-UHFFFAOYSA-N 0 3 361.446 2.696 20 5 FFBDHN C[C@@H]1CC(CCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000571515838 519135141 /nfs/dbraw/zinc/13/51/41/519135141.db2.gz AQYVNPUBQIDHGD-ZIAGYGMSSA-N 0 3 370.471 2.552 20 5 FFBDHN CS[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)C[C@@H]1N1CCCC1 ZINC000583392191 519225544 /nfs/dbraw/zinc/22/55/44/519225544.db2.gz XZIUYTUBTKWTSY-GJZGRUSLSA-N 0 3 366.487 2.793 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CN[C@@H]1CCO[C@@H](c3ccccn3)C1)OCCO2 ZINC000590661369 519305344 /nfs/dbraw/zinc/30/53/44/519305344.db2.gz DWPDSJUQDQKCQL-RHSMWYFYSA-N 0 3 371.393 2.771 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc(OC3CCCCC3)cc2)c1 ZINC000574749844 519313484 /nfs/dbraw/zinc/31/34/84/519313484.db2.gz CFDJJQJYILPTGH-QGZVFWFLSA-N 0 3 374.441 2.654 20 5 FFBDHN COc1cccc([N+](=O)[O-])c1N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000574842842 519359926 /nfs/dbraw/zinc/35/99/26/519359926.db2.gz ILLHRQSDPAUKOW-HUUCEWRRSA-N 0 3 363.458 2.929 20 5 FFBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590806562 519380492 /nfs/dbraw/zinc/38/04/92/519380492.db2.gz RMMICKYRKJIOBK-ZWKOTPCHSA-N 0 3 372.469 2.968 20 5 FFBDHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCCN(CC2CCC2)CC1 ZINC000566570146 519556880 /nfs/dbraw/zinc/55/68/80/519556880.db2.gz GBIRBHZVXBOMHQ-UHFFFAOYSA-N 0 3 367.396 2.750 20 5 FFBDHN CCC(C)(C)N1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000594389459 519933675 /nfs/dbraw/zinc/93/36/75/519933675.db2.gz ITHKVPJBGHGRSH-UHFFFAOYSA-N 0 3 355.385 2.748 20 5 FFBDHN CCOc1cc(CN[C@@H]([C@@H]2CCCO2)C2(CO)CCC2)ccc1[N+](=O)[O-] ZINC000602891748 519952613 /nfs/dbraw/zinc/95/26/13/519952613.db2.gz OLPBUSFINJZTGX-WMZOPIPTSA-N 0 3 364.442 2.793 20 5 FFBDHN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCNC2(CCCCC2)C1 ZINC000594628768 520061581 /nfs/dbraw/zinc/06/15/81/520061581.db2.gz JBUDJMZYEAZPGZ-UHFFFAOYSA-N 0 3 369.425 2.529 20 5 FFBDHN CC[C@H]1CN(C)CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000597604757 520130635 /nfs/dbraw/zinc/13/06/35/520130635.db2.gz KFIKXRAZOPWMJQ-ZDUSSCGKSA-N 0 3 370.247 2.914 20 5 FFBDHN CCn1ccc(CN(C)CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000616785508 520139372 /nfs/dbraw/zinc/13/93/72/520139372.db2.gz WYTIIXZHASBEIT-UHFFFAOYSA-N 0 3 360.414 2.885 20 5 FFBDHN Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000594793940 520161742 /nfs/dbraw/zinc/16/17/42/520161742.db2.gz WUTUVIZDBSJQCT-AWEZNQCLSA-N 0 3 369.487 2.610 20 5 FFBDHN Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H]2CC[N@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000594793940 520161751 /nfs/dbraw/zinc/16/17/51/520161751.db2.gz WUTUVIZDBSJQCT-AWEZNQCLSA-N 0 3 369.487 2.610 20 5 FFBDHN Cc1ccc(CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC2CC2)cn1 ZINC000592145727 520224657 /nfs/dbraw/zinc/22/46/57/520224657.db2.gz ZKGUGJCRMVRLIC-LJQANCHMSA-N 0 3 371.437 2.950 20 5 FFBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000603756468 520355482 /nfs/dbraw/zinc/35/54/82/520355482.db2.gz QQEHUXYIZRTSEZ-KGLIPLIRSA-N 0 3 351.472 2.924 20 5 FFBDHN COc1cc(CNC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c([N+](=O)[O-])cc1[O-] ZINC000592376482 520358296 /nfs/dbraw/zinc/35/82/96/520358296.db2.gz SJRIHDCRGJPKLG-SJORKVTESA-N 0 3 371.437 2.744 20 5 FFBDHN COc1cc(CNC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c([N+](=O)[O-])cc1[O-] ZINC000592376482 520358300 /nfs/dbraw/zinc/35/83/00/520358300.db2.gz SJRIHDCRGJPKLG-SJORKVTESA-N 0 3 371.437 2.744 20 5 FFBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000595236246 520366879 /nfs/dbraw/zinc/36/68/79/520366879.db2.gz XTTIKLZAYQCLSV-SFHVURJKSA-N 0 3 370.409 2.620 20 5 FFBDHN Cc1ccccc1[C@@H]1C[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000600757187 520451792 /nfs/dbraw/zinc/45/17/92/520451792.db2.gz KWKSRKFSAXHMOF-ZWKOTPCHSA-N 0 3 360.435 2.823 20 5 FFBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000598260339 520525118 /nfs/dbraw/zinc/52/51/18/520525118.db2.gz AYEDYTYQZUSNCY-HNNXBMFYSA-N 0 3 371.441 2.631 20 5 FFBDHN CCCN1CC[C@H](NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000598341602 520563936 /nfs/dbraw/zinc/56/39/36/520563936.db2.gz DLQOANIIEYDNCN-YPMHNXCESA-N 0 3 355.822 2.616 20 5 FFBDHN COc1ccc(OCCN(C)[C@H](CO)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000595596568 520581237 /nfs/dbraw/zinc/58/12/37/520581237.db2.gz OTRSVYLOMUCONR-INIZCTEOSA-N 0 3 360.410 2.518 20 5 FFBDHN CNc1ccc(C(=O)Nc2cccc(OCCN(C)C)c2)cc1[N+](=O)[O-] ZINC000604530357 520592013 /nfs/dbraw/zinc/59/20/13/520592013.db2.gz IIBCSZFZWLBMCP-UHFFFAOYSA-N 0 3 358.398 2.829 20 5 FFBDHN CC(C)c1ccc(C(=O)N2CCOC3(CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000592898095 520642576 /nfs/dbraw/zinc/64/25/76/520642576.db2.gz BUMYQNLUWPMYPM-UHFFFAOYSA-N 0 3 361.442 2.655 20 5 FFBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@@H](n1cncn1)C(F)(F)F ZINC000601144372 520658327 /nfs/dbraw/zinc/65/83/27/520658327.db2.gz SSSTZLDWAAGRHX-JAYGETEZSA-N 0 3 355.320 2.983 20 5 FFBDHN O=[N+]([O-])c1ccc(CN[C@]2(CO)CCCN(Cc3ccccc3)C2)c(F)c1 ZINC000610481134 520709110 /nfs/dbraw/zinc/70/91/10/520709110.db2.gz JUWSGSCHFSIKGZ-HXUWFJFHSA-N 0 3 373.428 2.851 20 5 FFBDHN O=[N+]([O-])c1ccn(CCN(Cc2ccc3c(c2)OCO3)C2CCCC2)n1 ZINC000610484879 520710677 /nfs/dbraw/zinc/71/06/77/520710677.db2.gz XKMGUXXZZAQNBN-UHFFFAOYSA-N 0 3 358.398 2.965 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](OC(C)C)C1 ZINC000593054904 520711633 /nfs/dbraw/zinc/71/16/33/520711633.db2.gz HQYIOLWWGWBHCH-OAHLLOKOSA-N 0 3 365.430 2.821 20 5 FFBDHN CC(C)[C@@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1 ZINC000598569754 520714065 /nfs/dbraw/zinc/71/40/65/520714065.db2.gz DMLBOSPFPDSNKD-AWEZNQCLSA-N 0 3 360.439 2.788 20 5 FFBDHN COC(=O)c1ccnc(NC[C@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000598620473 520748333 /nfs/dbraw/zinc/74/83/33/520748333.db2.gz AYBVJCPUGSIXCJ-OAHLLOKOSA-N 0 3 370.409 2.710 20 5 FFBDHN CN(c1ccccc1)[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000595825703 520749197 /nfs/dbraw/zinc/74/91/97/520749197.db2.gz FVCQERGXTLSCMK-MOPGFXCFSA-N 0 3 371.437 2.545 20 5 FFBDHN CCOC(=O)CC1(NCc2ccc([N+](=O)[O-])c(OCC)c2)CCOCC1 ZINC000595876301 520784606 /nfs/dbraw/zinc/78/46/06/520784606.db2.gz BOBWGTQYWAKQQL-UHFFFAOYSA-N 0 3 366.414 2.586 20 5 FFBDHN O=C1[C@@H](N2C[C@]34COC[C@@]3(C2)CCCC4)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595909281 520814208 /nfs/dbraw/zinc/81/42/08/520814208.db2.gz LDMOJZSHHDKQKT-YSIASYRMSA-N 0 3 371.437 2.593 20 5 FFBDHN O=[N+]([O-])c1cc(N2CCN([C@@H]3CCC[C@H]3O)CC2)ccc1C(F)(F)F ZINC000596112272 520919167 /nfs/dbraw/zinc/91/91/67/520919167.db2.gz LUCNIVRMTIHCMX-UKRRQHHQSA-N 0 3 359.348 2.649 20 5 FFBDHN COC(=O)c1c(Cl)c(N[C@@H]2CCN(CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000596121230 520924980 /nfs/dbraw/zinc/92/49/80/520924980.db2.gz XRELUSDNAHJEMT-LLVKDONJSA-N 0 3 353.806 2.931 20 5 FFBDHN COC(=O)c1c(Cl)c(N[C@H]2CCN(CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000596121231 520925397 /nfs/dbraw/zinc/92/53/97/520925397.db2.gz XRELUSDNAHJEMT-NSHDSACASA-N 0 3 353.806 2.931 20 5 FFBDHN COc1cc(CN[C@H]2CCc3cc(O)ccc3C2)c([N+](=O)[O-])cc1OC ZINC000618197877 520929653 /nfs/dbraw/zinc/92/96/53/520929653.db2.gz OQUHEJDMEOYUMR-HNNXBMFYSA-N 0 3 358.394 2.965 20 5 FFBDHN COc1cc(NC2CCN([C@H]3CCOC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596167575 520948420 /nfs/dbraw/zinc/94/84/20/520948420.db2.gz LONGCRXXILBPMW-LBPRGKRZSA-N 0 3 355.822 2.922 20 5 FFBDHN CC(C)(C)N1CC[C@H]1CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000596309861 521021570 /nfs/dbraw/zinc/02/15/70/521021570.db2.gz YSDHJNLWDCRFCV-INIZCTEOSA-N 0 3 362.474 2.712 20 5 FFBDHN COc1cc(CNC[C@]2(CO)CCc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000593653148 521133543 /nfs/dbraw/zinc/13/35/43/521133543.db2.gz UTYLFILFIDSFJA-FQEVSTJZSA-N 0 3 372.421 2.578 20 5 FFBDHN CS(=O)(=O)c1ccc(NC[C@H]2CCCN(CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000596570441 521137661 /nfs/dbraw/zinc/13/76/61/521137661.db2.gz LCAIPLJARBFHSJ-CQSZACIVSA-N 0 3 367.471 2.532 20 5 FFBDHN CCc1ccc([C@@H](CNc2cc(N)c([N+](=O)[O-])c(CO)c2)N(C)C)cc1 ZINC000611525220 521202857 /nfs/dbraw/zinc/20/28/57/521202857.db2.gz OILOMMNWJACBMY-GOSISDBHSA-N 0 3 358.442 2.947 20 5 FFBDHN COc1cc(N2C[C@@H](SC)[C@@H](N3CCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000614978050 521218664 /nfs/dbraw/zinc/21/86/64/521218664.db2.gz VBGXQPUXRRERRB-GOEBONIOSA-N 0 3 355.435 2.759 20 5 FFBDHN COc1cc(N2C[C@@H](N3CCCC3)[C@@H](SC)C2)c([N+](=O)[O-])cc1F ZINC000614977762 521219128 /nfs/dbraw/zinc/21/91/28/521219128.db2.gz IQMSWEUZMQEYFI-ZBFHGGJFSA-N 0 3 355.435 2.759 20 5 FFBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000602291266 521263149 /nfs/dbraw/zinc/26/31/49/521263149.db2.gz KMMMPWIRIWFLBW-CRAIPNDOSA-N 0 3 357.454 2.959 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](CC(=O)OC(C)C)C(C)C ZINC000594042510 521368856 /nfs/dbraw/zinc/36/88/56/521368856.db2.gz UEURMCFZTNRZKS-HNNXBMFYSA-N 0 3 365.430 2.798 20 5 FFBDHN O=[N+]([O-])c1ccc2oc(CNC3CCN(c4ccccn4)CC3)nc2c1 ZINC000602515578 521390970 /nfs/dbraw/zinc/39/09/70/521390970.db2.gz QEFPXNGABJGYGR-UHFFFAOYSA-N 0 3 353.382 2.890 20 5 FFBDHN COC(=O)[C@@H]1C[C@@H](C)N(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000599699190 521410776 /nfs/dbraw/zinc/41/07/76/521410776.db2.gz XMDZMAASSCNRJG-BTTYYORXSA-N 0 3 363.414 2.585 20 5 FFBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCC1(N2CCOCC2)CC1 ZINC000602635072 521449523 /nfs/dbraw/zinc/44/95/23/521449523.db2.gz WUWALDMZXUTQLT-UHFFFAOYSA-N 0 3 359.348 2.568 20 5 FFBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000594199245 521465376 /nfs/dbraw/zinc/46/53/76/521465376.db2.gz IHWVGXQXVXBBLG-RDJZCZTQSA-N 0 3 358.442 2.916 20 5 FFBDHN O=C1C[C@H](CNCc2cc(Br)c([N+](=O)[O-])s2)CN1C1CC1 ZINC000602714533 521491949 /nfs/dbraw/zinc/49/19/49/521491949.db2.gz ZIITZKBJTLDZCH-MRVPVSSYSA-N 0 3 374.260 2.519 20 5 FFBDHN CCCN(C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)[C@H]1CCN(C)C1 ZINC000597090533 521495922 /nfs/dbraw/zinc/49/59/22/521495922.db2.gz NCSWIQWHMLKAKS-NSHDSACASA-N 0 3 355.826 2.778 20 5 FFBDHN C[C@@H](CN1CCCCC1)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597095140 521501411 /nfs/dbraw/zinc/50/14/11/521501411.db2.gz YQHAKOICCOSQIW-JTQLQIEISA-N 0 3 355.826 2.826 20 5 FFBDHN CCOC(=O)C1CCC(NCc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000602751585 521514743 /nfs/dbraw/zinc/51/47/43/521514743.db2.gz ITEGBYZIFRAJDG-UHFFFAOYSA-N 0 3 366.414 2.824 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000602786051 521531461 /nfs/dbraw/zinc/53/14/61/521531461.db2.gz VFQKAHVFULNEDO-UHFFFAOYSA-N 0 3 352.398 2.765 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H]1c2ccccc2CC12CCOCC2 ZINC000602836733 521562879 /nfs/dbraw/zinc/56/28/79/521562879.db2.gz HGTPUKSYRQXILC-GOSISDBHSA-N 0 3 356.426 2.784 20 5 FFBDHN O=C1CC[C@@H]2CN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC[C@H]2N1 ZINC000597204735 521573528 /nfs/dbraw/zinc/57/35/28/521573528.db2.gz FTIYXYURHZAXIG-CZUORRHYSA-N 0 3 355.394 2.955 20 5 FFBDHN C[C@@H]1CCC[N@@H+](C(C)(C)CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000736264522 598367482 /nfs/dbraw/zinc/36/74/82/598367482.db2.gz FKZFJILZJJUTLS-GFCCVEGCSA-N 0 3 359.434 2.697 20 5 FFBDHN C[C@@H]1CCC[N@H+](C(C)(C)CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000736264522 598367484 /nfs/dbraw/zinc/36/74/84/598367484.db2.gz FKZFJILZJJUTLS-GFCCVEGCSA-N 0 3 359.434 2.697 20 5 FFBDHN C[C@@H]1CCC[N@@H+](C(C)(C)CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000736264522 598367486 /nfs/dbraw/zinc/36/74/86/598367486.db2.gz FKZFJILZJJUTLS-GFCCVEGCSA-N 0 3 359.434 2.697 20 5 FFBDHN C[C@@H]1CCC[N@H+](C(C)(C)CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000736264522 598367488 /nfs/dbraw/zinc/36/74/88/598367488.db2.gz FKZFJILZJJUTLS-GFCCVEGCSA-N 0 3 359.434 2.697 20 5 FFBDHN C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820419588 599375330 /nfs/dbraw/zinc/37/53/30/599375330.db2.gz IJZXCSYMZPIITF-LBPRGKRZSA-N 0 3 354.370 2.505 20 5 FFBDHN C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820419588 599375331 /nfs/dbraw/zinc/37/53/31/599375331.db2.gz IJZXCSYMZPIITF-LBPRGKRZSA-N 0 3 354.370 2.505 20 5 FFBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820254623 607000138 /nfs/dbraw/zinc/00/01/38/607000138.db2.gz SEJCZEAXRYLUGR-ZDUSSCGKSA-N 0 3 352.398 2.886 20 5 FFBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820254623 607000139 /nfs/dbraw/zinc/00/01/39/607000139.db2.gz SEJCZEAXRYLUGR-ZDUSSCGKSA-N 0 3 352.398 2.886 20 5 FFBDHN CC[C@@H]([NH2+]CCOc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000825142949 608282548 /nfs/dbraw/zinc/28/25/48/608282548.db2.gz UJLHMKUEECLMLE-QGZVFWFLSA-N 0 3 368.397 2.895 20 5 FFBDHN C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824648957 609313894 /nfs/dbraw/zinc/31/38/94/609313894.db2.gz JZBURIHZBFYHHJ-OCCSQVGLSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000824648957 609313896 /nfs/dbraw/zinc/31/38/96/609313896.db2.gz JZBURIHZBFYHHJ-OCCSQVGLSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824648957 609313897 /nfs/dbraw/zinc/31/38/97/609313897.db2.gz JZBURIHZBFYHHJ-OCCSQVGLSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000824648957 609313899 /nfs/dbraw/zinc/31/38/99/609313899.db2.gz JZBURIHZBFYHHJ-OCCSQVGLSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824607499 609333748 /nfs/dbraw/zinc/33/37/48/609333748.db2.gz ZFWAAMUZVQFDPJ-LLVKDONJSA-N 0 3 356.361 2.807 20 5 FFBDHN C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824607499 609333750 /nfs/dbraw/zinc/33/37/50/609333750.db2.gz ZFWAAMUZVQFDPJ-LLVKDONJSA-N 0 3 356.361 2.807 20 5 FFBDHN O=[N+]([O-])c1c[nH]c2ccc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)nc21 ZINC001164724696 720404350 /nfs/dbraw/zinc/40/43/50/720404350.db2.gz KOCZLXGWUSWNIN-HZPDHXFCSA-N 0 3 364.409 2.719 20 5 FFBDHN CCOC(=O)CC[C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000162041572 728938394 /nfs/dbraw/zinc/93/83/94/728938394.db2.gz HPTORXQLSDURJJ-PBHICJAKSA-N 0 3 350.415 2.684 20 5 FFBDHN CN(C)CCN(Cc1ccccn1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000139570315 728741164 /nfs/dbraw/zinc/74/11/64/728741164.db2.gz BOLDPUHBJBLHNP-UHFFFAOYSA-N 0 3 362.817 2.847 20 5 FFBDHN CCOC(=O)CC[C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246607884 729588332 /nfs/dbraw/zinc/58/83/32/729588332.db2.gz HPTORXQLSDURJJ-WMLDXEAASA-N 0 3 350.415 2.684 20 5 FFBDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000857635689 730403475 /nfs/dbraw/zinc/40/34/75/730403475.db2.gz ZLXIIKCSBPRLBW-NSHDSACASA-N 0 3 370.247 2.960 20 5 FFBDHN COCCN1CCC[C@H]1COC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000861032254 730568876 /nfs/dbraw/zinc/56/88/76/730568876.db2.gz MGAXCTMSBJTUNH-ZDUSSCGKSA-N 0 3 354.428 2.584 20 5 FFBDHN CCN1CCC[C@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000865183683 730922110 /nfs/dbraw/zinc/92/21/10/730922110.db2.gz KUDRAHHGJMQAQD-LBPRGKRZSA-N 0 3 370.247 2.500 20 5 FFBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC(CO)(CO)CC2)s1 ZINC000877797396 732434154 /nfs/dbraw/zinc/43/41/54/732434154.db2.gz GLKNIPGYYVNBDD-UHFFFAOYSA-N 0 3 362.451 2.890 20 5 FFBDHN CO[C@@H]1COCC[C@H]1N(C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000880437537 732908091 /nfs/dbraw/zinc/90/80/91/732908091.db2.gz MMQLHCIJCCPMNS-TZMCWYRMSA-N 0 3 359.220 2.593 20 5 FFBDHN CN(CCCCN1CCCCC1)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000882986042 733318544 /nfs/dbraw/zinc/31/85/44/733318544.db2.gz BXHXIHRPQHONRN-UHFFFAOYSA-N 0 3 369.487 2.701 20 5 FFBDHN O=C(NC[C@@H]1CCN1C1CCOCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000927645663 738764849 /nfs/dbraw/zinc/76/48/49/738764849.db2.gz PBQMBTAPKYUONC-ZDUSSCGKSA-N 0 3 368.821 2.623 20 5 FFBDHN O=C(NCCNCc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(F)cc1 ZINC000783599679 738818326 /nfs/dbraw/zinc/81/83/26/738818326.db2.gz BZKFZWMOKYNHEZ-UHFFFAOYSA-N 0 3 351.765 2.907 20 5 FFBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CCN2C2CCOCC2)c(C(F)(F)F)c1 ZINC000896521037 735172480 /nfs/dbraw/zinc/17/24/80/735172480.db2.gz CAKQQGUZQWCOQE-NSHDSACASA-N 0 3 360.336 2.674 20 5 FFBDHN O=[N+]([O-])c1cc(CNC[C@H](O)CC2(O)CCCC2)cc(C(F)(F)F)c1 ZINC000905238347 736316267 /nfs/dbraw/zinc/31/62/67/736316267.db2.gz PLTPDJZMDQKPJR-CQSZACIVSA-N 0 3 362.348 2.759 20 5 FFBDHN C[C@H](Cc1cccc(F)c1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000757676557 736418861 /nfs/dbraw/zinc/41/88/61/736418861.db2.gz URDZDYJBOOPZKH-CYBMUJFWSA-N 0 3 366.414 2.728 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1N1CCCC1 ZINC000763283792 736922797 /nfs/dbraw/zinc/92/27/97/736922797.db2.gz RJCPVGVNBGVRAX-LSDHHAIUSA-N 0 3 369.874 2.900 20 5 FFBDHN Cc1nccn1CCCN(C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000767448338 737326484 /nfs/dbraw/zinc/32/64/84/737326484.db2.gz DCZIFQKOKCCKPU-UHFFFAOYSA-N 0 3 365.821 2.714 20 5 FFBDHN COC1CCN(C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000768713213 737451904 /nfs/dbraw/zinc/45/19/04/737451904.db2.gz VKZPPDYIVRDCEB-UHFFFAOYSA-N 0 3 369.849 2.867 20 5 FFBDHN C[C@H](OC(=O)C1CC[C@H](C(F)(F)F)NC1=O)c1cccc([N+](=O)[O-])c1 ZINC000914671657 737588092 /nfs/dbraw/zinc/58/80/92/737588092.db2.gz ONCSEYDOIXVMQL-XXILOJSOSA-N 0 3 360.288 2.656 20 5 FFBDHN CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CNCc3csc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000922786887 738200565 /nfs/dbraw/zinc/20/05/65/738200565.db2.gz BCEIJFQAEGBPKL-XYYAHUGASA-N 0 3 353.444 2.859 20 5 FFBDHN O=[N+]([O-])c1ccccc1CNCC1(n2cc(Br)cn2)CC1 ZINC000922804206 738202921 /nfs/dbraw/zinc/20/29/21/738202921.db2.gz VADHAJUEFDTAKA-UHFFFAOYSA-N 0 3 351.204 2.833 20 5 FFBDHN O=C(OCc1ccc([N+](=O)[O-])cc1Cl)C1CCCN(C2CC2)C1=O ZINC000924057820 738365134 /nfs/dbraw/zinc/36/51/34/738365134.db2.gz BKDHYYXLMWLOOK-ZDUSSCGKSA-N 0 3 352.774 2.692 20 5 FFBDHN O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCN(C2CC2)C1=O ZINC000924059850 738365196 /nfs/dbraw/zinc/36/51/96/738365196.db2.gz VPAVWHQDQOYNOL-GFCCVEGCSA-N 0 3 352.774 2.692 20 5 FFBDHN C[C@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C)C1 ZINC000778231250 738365426 /nfs/dbraw/zinc/36/54/26/738365426.db2.gz FKQDNZCHWLLUPM-QWHCGFSZSA-N 0 3 355.385 2.923 20 5 FFBDHN CCCN(C)CC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000803546392 740809950 /nfs/dbraw/zinc/80/99/50/740809950.db2.gz FZOFLNXRXNTTPK-UHFFFAOYSA-N 0 3 370.247 2.584 20 5 FFBDHN COc1ccc(-c2nc(C(=O)OCC(C)[N+](=O)[O-])cs2)cc1OC ZINC000813107125 741677959 /nfs/dbraw/zinc/67/79/59/741677959.db2.gz KCGBYRQIAYOCCO-VIFPVBQESA-N 0 3 352.368 2.649 20 5 FFBDHN CCn1c(SCC(=O)OCC(C)[N+](=O)[O-])nnc1-c1ccccc1C ZINC000813115109 741678789 /nfs/dbraw/zinc/67/87/89/741678789.db2.gz KTCDMRXMFJMTQF-GFCCVEGCSA-N 0 3 364.427 2.574 20 5 FFBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC000822152975 742702778 /nfs/dbraw/zinc/70/27/78/742702778.db2.gz VZSGLPZKJJPSIK-SECBINFHSA-N 0 3 358.801 2.524 20 5 FFBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@@H]1CCCCN1CCO ZINC000824583200 743111351 /nfs/dbraw/zinc/11/13/51/743111351.db2.gz JHYDRLALDSZZLS-ZDUSSCGKSA-N 0 3 362.257 2.838 20 5 FFBDHN CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(Cc2cccc(F)c2Cl)CC1 ZINC001045437322 743275069 /nfs/dbraw/zinc/27/50/69/743275069.db2.gz NMNGIYRMKQIGOR-TZMCWYRMSA-N 0 3 369.824 2.615 20 5 FFBDHN C[C@]1(NCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000839550073 746853121 /nfs/dbraw/zinc/85/31/21/746853121.db2.gz GVVOKNFWJFUIRE-HOTGVXAUSA-N 0 3 353.806 2.734 20 5 FFBDHN CN1CCC(NC(=S)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000840801571 747187258 /nfs/dbraw/zinc/18/72/58/747187258.db2.gz JCJQAAXQHSLYGO-OAHLLOKOSA-N 0 3 362.499 2.743 20 5 FFBDHN CCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)CN2CCCC2)cc1OC ZINC000845669790 748301776 /nfs/dbraw/zinc/30/17/76/748301776.db2.gz KWRTVZZBVMZKCP-LBPRGKRZSA-N 0 3 352.387 2.643 20 5 FFBDHN CC([C@H](OC(=O)CNC(=O)CC(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845875894 748342404 /nfs/dbraw/zinc/34/24/04/748342404.db2.gz NZUQVFDAIWZKNB-ZBEGNZNMSA-N 0 3 354.378 2.628 20 5 FFBDHN C[C@@H](NCC1(S(C)(=O)=O)CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850531697 749383037 /nfs/dbraw/zinc/38/30/37/749383037.db2.gz MPMHUTZJQYVXLX-GFCCVEGCSA-N 0 3 355.460 2.575 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000120098789 958860739 /nfs/dbraw/zinc/86/07/39/958860739.db2.gz SYRLSGNTKNCUSP-GUYCJALGSA-N 0 3 357.385 2.984 20 5 FFBDHN CN(CCN1CC2(C1)CCOCC2)c1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC000895034262 967174583 /nfs/dbraw/zinc/17/45/83/967174583.db2.gz BLJDYGLMMVYHTP-UHFFFAOYSA-N 0 3 374.416 2.831 20 5 FFBDHN C[C@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[C@@H]1CN(C)CCN1C ZINC000895247766 968761978 /nfs/dbraw/zinc/76/19/78/968761978.db2.gz WFFKBKSARSTFMK-YOEHRIQHSA-N 0 3 355.442 2.703 20 5 FFBDHN CCN1CCCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)[C@H](C)C1 ZINC000910270148 981880308 /nfs/dbraw/zinc/88/03/08/981880308.db2.gz KXVPDQBLAKPZSF-CYBMUJFWSA-N 0 3 357.414 2.541 20 5 FFBDHN CN(C)C[C@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2O1 ZINC000760820526 984531513 /nfs/dbraw/zinc/53/15/13/984531513.db2.gz FGKKVDAUPCRMFM-KQPPXVQYSA-N 0 3 367.405 2.964 20 5 FFBDHN COc1cccc(C(=O)N(CCN(C)C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000193885067 989097427 /nfs/dbraw/zinc/09/74/27/989097427.db2.gz OLSTWKKWWDNYOT-UHFFFAOYSA-N 0 3 357.410 2.807 20 5 FFBDHN COc1cccc(CN2CCC(NC(=O)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000918351810 990377777 /nfs/dbraw/zinc/37/77/77/990377777.db2.gz MWALDTWKPMUPBF-UHFFFAOYSA-N 0 3 369.421 2.998 20 5 FFBDHN CC(C)(C)OC(=O)NCC1(NCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000705629871 990477613 /nfs/dbraw/zinc/47/76/13/990477613.db2.gz QIGITOUKLZUXDT-UHFFFAOYSA-N 0 3 365.430 2.758 20 5 FFBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000919763098 990725554 /nfs/dbraw/zinc/72/55/54/990725554.db2.gz QXXNIQWKMCUEAV-XJKSGUPXSA-N 0 3 354.410 2.742 20 5 FFBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@@](CO)(Cc3ccccc3)C2)cc1 ZINC000812873998 995557668 /nfs/dbraw/zinc/55/76/68/995557668.db2.gz RQAZNMYHUNGVQI-NHCUHLMSSA-N 0 3 370.449 2.945 20 5 FFBDHN CC(COC(=O)Cn1c(Cc2ccccc2)nc2ccccc21)[N+](=O)[O-] ZINC000813101868 995614858 /nfs/dbraw/zinc/61/48/58/995614858.db2.gz KLEPZQAWPGOGEP-AWEZNQCLSA-N 0 3 353.378 2.836 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CCN1CCCCC1 ZINC001144274372 998243422 /nfs/dbraw/zinc/24/34/22/998243422.db2.gz WCLQYZPUIWRQNO-ZDUSSCGKSA-N 0 3 369.849 2.960 20 5 FFBDHN CC([C@H](OC(=O)CN1Cc2ccccc2C1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845875947 998677073 /nfs/dbraw/zinc/67/70/73/998677073.db2.gz OIUDBWVPRXSIFW-XIKOKIGWSA-N 0 3 372.352 2.731 20 5 FFBDHN CC([C@H](OC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845875905 998677233 /nfs/dbraw/zinc/67/72/33/998677233.db2.gz OCNZVDIXKHOFHZ-HSMVNMDESA-N 0 3 366.389 2.722 20 5 FFBDHN CC([C@H](OC(=O)CCc1ccccc1C(N)=O)c1ccccc1F)[N+](=O)[O-] ZINC000845884060 998678667 /nfs/dbraw/zinc/67/86/67/998678667.db2.gz XAHQGUORBLCICX-XIKOKIGWSA-N 0 3 374.368 2.807 20 5 FFBDHN CC([C@@H](OC(=O)c1cc2c(cn1)OCCO2)c1ccccc1F)[N+](=O)[O-] ZINC000845882085 998678888 /nfs/dbraw/zinc/67/88/88/998678888.db2.gz RBJBMTVTBBPBQD-MGPLVRAMSA-N 0 3 362.313 2.555 20 5 FFBDHN COc1ccc(C[C@H](C)NCC(=O)Nc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001170325961 1003113246 /nfs/dbraw/zinc/11/32/46/1003113246.db2.gz ZCMFSKVIAJKLIO-LBPRGKRZSA-N 0 3 361.373 2.902 20 5 FFBDHN COC(=O)[C@@H]1CC[C@@H](C)N([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170336151 1003117771 /nfs/dbraw/zinc/11/77/71/1003117771.db2.gz UUYHXSMASAVHFH-VNHYZAJKSA-N 0 3 350.415 2.808 20 5 FFBDHN CCCN(CCN1CCCC1)C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000804442394 1003673575 /nfs/dbraw/zinc/67/35/75/1003673575.db2.gz VZFWOUBIDPIPRY-UHFFFAOYSA-N 0 3 366.437 2.748 20 5 FFBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@]1(C)CN2CCC1CC2 ZINC001130798609 1004478220 /nfs/dbraw/zinc/47/82/20/1004478220.db2.gz HOYHPPQLZSLMNC-PIGZYNQJSA-N 0 3 367.833 2.616 20 5 FFBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@@H](Cn2cccn2)c2ccccc2)cc1 ZINC000776590090 1006003101 /nfs/dbraw/zinc/00/31/01/1006003101.db2.gz CBDHCVMFTJEXCU-RBUKOAKNSA-N 0 3 352.394 2.856 20 5 FFBDHN C[C@@H](NC[C@@H](O)COc1ccc(F)c(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815577301 1006692998 /nfs/dbraw/zinc/69/29/98/1006692998.db2.gz MFMRYSXTQUHTOG-ZYHUDNBSSA-N 0 3 367.352 2.546 20 5 FFBDHN Cc1cc(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c(N)c([N+](=O)[O-])c1 ZINC000137512937 1008617270 /nfs/dbraw/zinc/61/72/70/1008617270.db2.gz LBFADFHJRCWQJZ-GDBMZVCRSA-N 0 3 368.437 2.878 20 5 FFBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OC[C@]1(C)C[C@@H](OC)CN1C ZINC000861348301 1009365641 /nfs/dbraw/zinc/36/56/41/1009365641.db2.gz NZBJXQKSXAWCAH-SUMDDJOVSA-N 0 3 364.442 2.816 20 5 FFBDHN COC(=O)COc1ccccc1CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC001181153819 1009995615 /nfs/dbraw/zinc/99/56/15/1009995615.db2.gz HNAMDJQRFSLYRX-UHFFFAOYSA-N 0 3 358.394 2.821 20 5 FFBDHN Cc1ccc([C@@H](C)NC[C@@H](O)CCNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000794464413 1010043205 /nfs/dbraw/zinc/04/32/05/1010043205.db2.gz PFYYSIPXTRKYMR-HIFRSBDPSA-N 0 3 367.446 2.830 20 5 FFBDHN Cc1c(C(=O)NC[C@H]2CCN2C2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000863032055 1010089277 /nfs/dbraw/zinc/08/92/77/1010089277.db2.gz DLQGLVJHCMUSSV-CYBMUJFWSA-N 0 3 362.386 2.558 20 5 FFBDHN O=C(NC[C@H]1CCN1C1CCCC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000863035250 1010091282 /nfs/dbraw/zinc/09/12/82/1010091282.db2.gz UNUNJBKXXUSJEE-QGZVFWFLSA-N 0 3 372.469 2.942 20 5 FFBDHN N[C@@H](CC1CCCCC1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000003963626 1012206577 /nfs/dbraw/zinc/20/65/77/1012206577.db2.gz VKVOTCUATGJWBR-SFHVURJKSA-N 0 3 360.458 2.541 20 5 FFBDHN CN(CCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000777954578 1020296107 /nfs/dbraw/zinc/29/61/07/1020296107.db2.gz LGIHMXYHIHDOOG-UHFFFAOYSA-N 0 3 363.364 2.935 20 5 FFBDHN COc1cccc(COC[C@H](O)CN[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000932181609 1020734787 /nfs/dbraw/zinc/73/47/87/1020734787.db2.gz XDOYRVVJPOKTJH-RDTXWAMCSA-N 0 3 360.410 2.832 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000900980375 1020763297 /nfs/dbraw/zinc/76/32/97/1020763297.db2.gz KSOASDZKRNVSOL-GASCZTMLSA-N 0 3 363.458 2.831 20 5 FFBDHN COc1ccc(C[C@](C)(CO)NCc2ccccc2[N+](=O)[O-])cc1OC ZINC000933445598 1021014425 /nfs/dbraw/zinc/01/44/25/1021014425.db2.gz RIXJVYXTJMGENY-LJQANCHMSA-N 0 3 360.410 2.695 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](CO)CC1CCOCC1 ZINC001118488878 1022259267 /nfs/dbraw/zinc/25/92/67/1022259267.db2.gz APKJZDNVGURFMH-ZFWWWQNUSA-N 0 3 352.431 2.679 20 5 FFBDHN CC(C)Cn1c([C@H](C)[N+](=O)[O-])nnc1N1CCN(C2CCCCC2)CC1 ZINC001122822904 1023495654 /nfs/dbraw/zinc/49/56/54/1023495654.db2.gz JXCQYUCYTDIHJU-HNNXBMFYSA-N 0 3 364.494 2.727 20 5 FFBDHN Cc1nn(CN2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c2ncc([N+](=O)[O-])cc12 ZINC000840117174 1026965152 /nfs/dbraw/zinc/96/51/52/1026965152.db2.gz SKSGVOHMYIMWDP-UAGQMJEPSA-N 0 3 359.430 2.621 20 5 FFBDHN COc1nc(C)c([N+](=O)[O-])c(-n2c(-c3ccccc3)cnc2[C@H](C)N)n1 ZINC001159592590 1027438791 /nfs/dbraw/zinc/43/87/91/1027438791.db2.gz YYLTVCVYQKEEHF-JTQLQIEISA-N 0 3 354.370 2.574 20 5 FFBDHN Cc1cc(CN)nn1-c1cc([N+](=O)[O-])cc2cc(Br)cnc21 ZINC001163986221 1029135138 /nfs/dbraw/zinc/13/51/38/1029135138.db2.gz XQTPUUMJVGHHOX-UHFFFAOYSA-N 0 3 362.187 2.858 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2C[C@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1 ZINC001165089302 1029381232 /nfs/dbraw/zinc/38/12/32/1029381232.db2.gz TUBMRDFKGLAKAP-GDBMZVCRSA-N 0 3 374.828 2.592 20 5 FFBDHN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NC[C@H]1NCCc2ccccc21 ZINC000841854467 1030504756 /nfs/dbraw/zinc/50/47/56/1030504756.db2.gz ABHUAOOVRQAIMP-QGZVFWFLSA-N 0 3 374.828 2.934 20 5 FFBDHN O=C(Nc1ccc(CN2CCC(O)CC2)cc1)c1cc([N+](=O)[O-])ccc1F ZINC000831424853 1034072304 /nfs/dbraw/zinc/07/23/04/1034072304.db2.gz QLPRJBWHIHFQCZ-UHFFFAOYSA-N 0 3 373.384 2.943 20 5 FFBDHN COCCN1CCC(Oc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC001225610479 1034334281 /nfs/dbraw/zinc/33/42/81/1034334281.db2.gz OWSROUGWBQOWRT-UHFFFAOYSA-N 0 3 359.220 2.847 20 5 FFBDHN N[C@]1(C(F)(F)F)CCN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001246570371 1039401218 /nfs/dbraw/zinc/40/12/18/1039401218.db2.gz POZCQNXWQLIANF-OAHLLOKOSA-N 0 3 358.364 2.529 20 5 FFBDHN CC(C)Oc1cc(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ncn1 ZINC001254470767 1040736787 /nfs/dbraw/zinc/73/67/87/1040736787.db2.gz UDHNLQOHBUQEMI-UHFFFAOYSA-N 0 3 371.441 2.931 20 5 FFBDHN COc1cc(C)nc(O[C@@H]2CCN([C@H](C)Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC001254568508 1040806048 /nfs/dbraw/zinc/80/60/48/1040806048.db2.gz GKHPSJPTXJXPQF-GDBMZVCRSA-N 0 3 372.425 2.786 20 5 FFBDHN Cc1nccnc1O[C@@H]1CCCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254611805 1040841631 /nfs/dbraw/zinc/84/16/31/1040841631.db2.gz TUQCUNWPNNYOSK-ZWKOTPCHSA-N 0 3 354.410 2.704 20 5 FFBDHN Cc1nccnc1O[C@H]1CCCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254611802 1040842376 /nfs/dbraw/zinc/84/23/76/1040842376.db2.gz TUQCUNWPNNYOSK-ROUUACIJSA-N 0 3 354.410 2.704 20 5 FFBDHN Cc1cc(-c2nc(-c3ccc4c(n3)CCNC4)no2)c([N+](=O)[O-])cc1C ZINC001216944110 1042168309 /nfs/dbraw/zinc/16/83/09/1042168309.db2.gz HXGOJRVKGPLLKC-UHFFFAOYSA-N 0 3 351.366 2.969 20 5 FFBDHN CN1CCOC[C@H]1CNCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001331520333 1047983175 /nfs/dbraw/zinc/98/31/75/1047983175.db2.gz KRNKEEXLFJEQJH-CYBMUJFWSA-N 0 3 365.817 2.928 20 5 FFBDHN O=[N+]([O-])c1cc(CO)c(N2CCN(CC3CCCCC3)CC2)cc1F ZINC001306947163 1048602819 /nfs/dbraw/zinc/60/28/19/1048602819.db2.gz PPTIGFQGBJXQPI-UHFFFAOYSA-N 0 3 351.422 2.929 20 5 FFBDHN CN(C)CCN(Cc1ccccn1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001334076677 1049234407 /nfs/dbraw/zinc/23/44/07/1049234407.db2.gz VXMCBWFTSOSLIU-UHFFFAOYSA-N 0 3 361.377 2.725 20 5 FFBDHN Cc1cccc(CN2CC[C@@H](NC(=O)Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC001301781737 1050980667 /nfs/dbraw/zinc/98/06/67/1050980667.db2.gz GYXDKEMSWCEWRH-GOSISDBHSA-N 0 3 353.422 2.836 20 5 FFBDHN C[C@@H]1NC[C@H](C)N(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@H]1C ZINC001344845486 1052059014 /nfs/dbraw/zinc/05/90/14/1052059014.db2.gz BRDAWFRTFDLBLL-JYJNAYRXSA-N 0 3 363.461 2.752 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(Cc2nc([C@H]3C[C@H]3C)no2)CC1 ZINC001307907541 1052365431 /nfs/dbraw/zinc/36/54/31/1052365431.db2.gz LNODCXIUDUUNCR-DOMZBBRYSA-N 0 3 374.445 2.561 20 5 FFBDHN O=[N+]([O-])c1cccc(OCCN2C[C@@H]3C[C@H]2CN3Cc2ccccc2)c1 ZINC001307967718 1052372562 /nfs/dbraw/zinc/37/25/62/1052372562.db2.gz KMSRYDQPSIOPCT-OALUTQOASA-N 0 3 353.422 2.932 20 5 FFBDHN O=[N+]([O-])c1ccc(C(F)(F)F)cc1N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001346068362 1052731589 /nfs/dbraw/zinc/73/15/89/1052731589.db2.gz MPDVNYXPZIHNJX-STQMWFEESA-N 0 3 359.348 2.649 20 5 FFBDHN Cc1c(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000847253263 1055321061 /nfs/dbraw/zinc/32/10/61/1055321061.db2.gz ABGUWEGCRWYPIG-CABCVRRESA-N 0 3 362.386 2.558 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849483720 1056869273 /nfs/dbraw/zinc/86/92/73/1056869273.db2.gz IVHVJYKGVKESEK-HOTGVXAUSA-N 0 3 371.441 2.619 20 5 FFBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001453390892 1059363078 /nfs/dbraw/zinc/36/30/78/1059363078.db2.gz PFVYLSJLFDTJGY-SNVBAGLBSA-N 0 3 372.828 2.820 20 5 FFBDHN O=[N+]([O-])c1cc2ccccc2nc1N1CCN[C@H](c2ccc(O)cc2)C1 ZINC001472867700 1059603787 /nfs/dbraw/zinc/60/37/87/1059603787.db2.gz KPOQCHINMAIPOH-KRWDZBQOSA-N 0 3 350.378 3.000 20 5 FFBDHN CSc1ccc(C(=O)OC[C@@H]2CCN2C2CCOCC2)cc1[N+](=O)[O-] ZINC001517120650 1060355979 /nfs/dbraw/zinc/35/59/79/1060355979.db2.gz CARUZYRFCFZMDE-AWEZNQCLSA-N 0 3 366.439 2.727 20 5 FFBDHN O=C(NC[C@@H]1NCCc2ccccc21)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001521540950 1060949338 /nfs/dbraw/zinc/94/93/38/1060949338.db2.gz OEQYXNJAIWSOPD-QYZOEREBSA-N 0 3 351.406 2.702 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N(CCN(C)C)Cc2ccc(F)cc2)n1 ZINC001359847698 1061809923 /nfs/dbraw/zinc/80/99/23/1061809923.db2.gz SSJCUZROMMBFOV-UHFFFAOYSA-N 0 3 360.389 2.641 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC001463269465 1062023929 /nfs/dbraw/zinc/02/39/29/1062023929.db2.gz DZZCVMSASMLNFP-VNHYZAJKSA-N 0 3 369.487 2.548 20 5 FFBDHN COc1cc([N+](=O)[O-])cnc1NC(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC001438799501 1063047930 /nfs/dbraw/zinc/04/79/30/1063047930.db2.gz KCEDTAXYKKXFGE-ZJUUUORDSA-N 0 3 363.292 2.685 20 5 FFBDHN C[C@H](NC(=O)Nc1ccnc([C@@H]2CCCN2)n1)c1cccc([N+](=O)[O-])c1 ZINC001576216051 1078206714 /nfs/dbraw/zinc/20/67/14/1078206714.db2.gz HUBKIEIICMENHE-FZMZJTMJSA-N 0 3 356.386 2.692 20 5 FFBDHN O=C(Nc1ccc([C@@H]2CNCCO2)cc1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001580765885 1078856030 /nfs/dbraw/zinc/85/60/30/1078856030.db2.gz YYVQMEYUSAAHGX-OTWHNJEPSA-N 0 3 367.405 2.998 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001556098830 1075700407 /nfs/dbraw/zinc/70/04/07/1075700407.db2.gz ZLXFLOFEBDPKCL-RDTXWAMCSA-N 0 3 371.412 2.913 20 5 FFBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001568640292 1077104464 /nfs/dbraw/zinc/10/44/64/1077104464.db2.gz CEOJGGFRUHLPLY-LLVKDONJSA-N 0 3 372.828 2.820 20 5 FFBDHN C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001590227452 1081108691 /nfs/dbraw/zinc/10/86/91/1081108691.db2.gz OZFFPCNJZRFHMY-GUTXKFCHSA-N 0 3 371.445 2.617 20 5 FFBDHN C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001590227452 1081108697 /nfs/dbraw/zinc/10/86/97/1081108697.db2.gz OZFFPCNJZRFHMY-GUTXKFCHSA-N 0 3 371.445 2.617 20 5 FFBDHN C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001590227452 1081108701 /nfs/dbraw/zinc/10/87/01/1081108701.db2.gz OZFFPCNJZRFHMY-GUTXKFCHSA-N 0 3 371.445 2.617 20 5 FFBDHN C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001590227452 1081108704 /nfs/dbraw/zinc/10/87/04/1081108704.db2.gz OZFFPCNJZRFHMY-GUTXKFCHSA-N 0 3 371.445 2.617 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@]1(CO)CCc2ccccc21 ZINC000132487207 251062928 /nfs/dbraw/zinc/06/29/28/251062928.db2.gz LFSLWVRCPRKOCO-HXUWFJFHSA-N 0 3 369.421 2.655 20 5 FFBDHN COc1cc(CNC[C@H](C)N(C)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272525881 252059723 /nfs/dbraw/zinc/05/97/23/252059723.db2.gz YYCZLQYCIOPSSV-NSHDSACASA-N 0 3 373.400 2.820 20 5 FFBDHN Cc1nccn1C[C@@H](C)CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272566820 252069482 /nfs/dbraw/zinc/06/94/82/252069482.db2.gz VARMKELQEGTKLC-KBXCAEBGSA-N 0 3 368.441 2.849 20 5 FFBDHN COc1cc(CNCC2=CCN(C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272639284 252087767 /nfs/dbraw/zinc/08/77/67/252087767.db2.gz OFSUVCRZQCYBRO-UHFFFAOYSA-N 0 3 371.384 2.599 20 5 FFBDHN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C1=CCN(C)CC1 ZINC000272761519 252124052 /nfs/dbraw/zinc/12/40/52/252124052.db2.gz PRIKZBUKPXMEKQ-SNVBAGLBSA-N 0 3 355.341 2.576 20 5 FFBDHN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C1=CCN(C)CC1 ZINC000272958179 252175197 /nfs/dbraw/zinc/17/51/97/252175197.db2.gz NGDHFRPWNVUNNM-SNVBAGLBSA-N 0 3 368.231 2.738 20 5 FFBDHN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C1=CCN(C)CC1 ZINC000273007127 252189922 /nfs/dbraw/zinc/18/99/22/252189922.db2.gz RVPCVIVXTHVHMW-OAHLLOKOSA-N 0 3 372.469 2.965 20 5 FFBDHN C[C@@]1(NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCO[C@@H]1C1CC1 ZINC000273090946 252213543 /nfs/dbraw/zinc/21/35/43/252213543.db2.gz SPBSTJDUYVGYTK-HZPDHXFCSA-N 0 3 353.806 2.734 20 5 FFBDHN Cc1cc(C)c(S(=O)(=O)N(C)[C@H](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000277051949 256156217 /nfs/dbraw/zinc/15/62/17/256156217.db2.gz LYFMXYJYDWDNJB-CQSZACIVSA-N 0 3 369.487 2.562 20 5 FFBDHN O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCCN1C1CC1 ZINC000277463562 256200469 /nfs/dbraw/zinc/20/04/69/256200469.db2.gz PINSLCZPNNCFBT-HNNXBMFYSA-N 0 3 360.414 2.980 20 5 FFBDHN CS(=O)(=O)C1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000279720319 256444399 /nfs/dbraw/zinc/44/43/99/256444399.db2.gz UOBBOWYRYHWPTM-UHFFFAOYSA-N 0 3 366.464 2.990 20 5 FFBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCCN3c4ccccc4C[C@@H]3C2)c1 ZINC000289403846 257279295 /nfs/dbraw/zinc/27/92/95/257279295.db2.gz GDZWVQIKPIXANS-QUCCMNQESA-N 0 3 353.422 2.765 20 5 FFBDHN COCCN(CCN(C)C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000289434913 257280869 /nfs/dbraw/zinc/28/08/69/257280869.db2.gz LFPIQFKTVKTQET-UHFFFAOYSA-N 0 3 364.471 2.728 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCc2occc2C1 ZINC000288977326 257243205 /nfs/dbraw/zinc/24/32/05/257243205.db2.gz ZEBOKZXRLITGEQ-UHFFFAOYSA-N 0 3 359.382 2.973 20 5 FFBDHN Cc1ccc([C@H](C)NC[C@](C)(O)CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000289661479 257292572 /nfs/dbraw/zinc/29/25/72/257292572.db2.gz XYNLPGFVSHXGSL-UGSOOPFHSA-N 0 3 367.446 2.830 20 5 FFBDHN COc1cc(CNC[C@]2(CO)C[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000289785415 257298917 /nfs/dbraw/zinc/29/89/17/257298917.db2.gz JUWRLOVZRDFBOU-JXFKEZNVSA-N 0 3 372.421 2.868 20 5 FFBDHN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C1CCCCC1 ZINC000302669675 258107472 /nfs/dbraw/zinc/10/74/72/258107472.db2.gz QYPXBEDPCKNYBK-INIZCTEOSA-N 0 3 369.487 2.921 20 5 FFBDHN CN(C)CCN1CCC(Nc2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000301652843 258061427 /nfs/dbraw/zinc/06/14/27/258061427.db2.gz GVSXAVRDTICODK-UHFFFAOYSA-N 0 3 371.279 2.795 20 5 FFBDHN C[C@@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CCN1Cc1ccccc1 ZINC000301967029 258078794 /nfs/dbraw/zinc/07/87/94/258078794.db2.gz KZJZEXOPBYHILA-OAHLLOKOSA-N 0 3 366.425 2.738 20 5 FFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1CN(C)C ZINC000330476740 258164413 /nfs/dbraw/zinc/16/44/13/258164413.db2.gz VIONGYOTUMZPNA-NSHDSACASA-N 0 3 370.247 2.832 20 5 FFBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCN1C ZINC000330783051 258170644 /nfs/dbraw/zinc/17/06/44/258170644.db2.gz HRWUWZBYUGSXLM-PWSUYJOCSA-N 0 3 357.357 2.751 20 5 FFBDHN CS[C@@H]1CN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C[C@H]1N(C)C ZINC000331079780 258176951 /nfs/dbraw/zinc/17/69/51/258176951.db2.gz YKMPXSKXLUWNON-HUUCEWRRSA-N 0 3 352.460 2.721 20 5 FFBDHN CC(C)CN(C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])C1CCN(C)CC1 ZINC000331210519 258179746 /nfs/dbraw/zinc/17/97/46/258179746.db2.gz HUZGXMMEMPWKBJ-UHFFFAOYSA-N 0 3 351.451 2.634 20 5 FFBDHN CC(C)CN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])C1CCN(C)CC1 ZINC000331210519 258179747 /nfs/dbraw/zinc/17/97/47/258179747.db2.gz HUZGXMMEMPWKBJ-UHFFFAOYSA-N 0 3 351.451 2.634 20 5 FFBDHN Cn1cc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c(C(F)(F)F)n1 ZINC000331687424 258196459 /nfs/dbraw/zinc/19/64/59/258196459.db2.gz XUSOVZSJPYUTOF-NWDGAFQWSA-N 0 3 372.351 2.817 20 5 FFBDHN CN1CCN(CC2(C)CCN(Cc3ccc([N+](=O)[O-])c(F)c3)CC2)CC1 ZINC000366976467 512278225 /nfs/dbraw/zinc/27/82/25/512278225.db2.gz ORYWRQRDYKQSMZ-UHFFFAOYSA-N 0 3 364.465 2.583 20 5 FFBDHN O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H](c1ccccc1)N1CCCC1 ZINC000067705951 506982975 /nfs/dbraw/zinc/98/29/75/506982975.db2.gz MMYNCRWIJZBRGO-LJQANCHMSA-N 0 3 368.437 2.960 20 5 FFBDHN NC(=O)c1ccc(NC[C@H](c2ccccc2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000015129238 507022204 /nfs/dbraw/zinc/02/22/04/507022204.db2.gz KINJKQMLJWPPJR-GOSISDBHSA-N 0 3 354.410 2.943 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000045948328 507050099 /nfs/dbraw/zinc/05/00/99/507050099.db2.gz OSDWFBGASOZICW-STQMWFEESA-N 0 3 350.419 2.988 20 5 FFBDHN Cc1c(C(=O)NCc2cccc(OCCN(C)C)c2)cccc1[N+](=O)[O-] ZINC000056890461 507116318 /nfs/dbraw/zinc/11/63/18/507116318.db2.gz IAAGXKPGRMTAQF-UHFFFAOYSA-N 0 3 357.410 2.774 20 5 FFBDHN CCN1CCC(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000068265795 507167563 /nfs/dbraw/zinc/16/75/63/507167563.db2.gz XOJLNWVIBOOULY-LLVKDONJSA-N 0 3 355.822 2.616 20 5 FFBDHN CN(CCCN1C(=O)c2ccccc2C1=O)Cc1cccc([N+](=O)[O-])c1 ZINC000046783320 507194444 /nfs/dbraw/zinc/19/44/44/507194444.db2.gz YZKQISPRIFCNSN-UHFFFAOYSA-N 0 3 353.378 2.713 20 5 FFBDHN CCOc1cc(C(=O)NCCN2CCCC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000046859891 507211077 /nfs/dbraw/zinc/21/10/77/507211077.db2.gz XODXREMPIKAWDL-CYBMUJFWSA-N 0 3 365.430 2.606 20 5 FFBDHN C[C@@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N(C)C1CC1 ZINC000057705537 507311201 /nfs/dbraw/zinc/31/12/01/507311201.db2.gz SOBMHICBXORJHT-NSHDSACASA-N 0 3 360.439 2.931 20 5 FFBDHN O=C(NCC1CCN(Cc2ccncc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000023015709 507324527 /nfs/dbraw/zinc/32/45/27/507324527.db2.gz XYGNBGSFRYOXBR-UHFFFAOYSA-N 0 3 354.410 2.632 20 5 FFBDHN CC(C)N1CCCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000068800673 507328791 /nfs/dbraw/zinc/32/87/91/507328791.db2.gz UBCBIIMWMOMTTC-UHFFFAOYSA-N 0 3 374.485 2.754 20 5 FFBDHN CCC(CC)NC(=O)C(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000048717164 507555649 /nfs/dbraw/zinc/55/56/49/507555649.db2.gz UHFCBJJHRKPXPF-LBPRGKRZSA-N 0 3 356.444 2.511 20 5 FFBDHN CCOc1ccc(C(=O)NCc2ccccc2CN(C)C)cc1[N+](=O)[O-] ZINC000061232739 507604763 /nfs/dbraw/zinc/60/47/63/507604763.db2.gz DFQISRMCUARSQW-UHFFFAOYSA-N 0 3 357.410 2.985 20 5 FFBDHN COc1ccc(CN2CCC(CNc3c([N+](=O)[O-])c(C)nn3C)CC2)cc1 ZINC000063282498 507711238 /nfs/dbraw/zinc/71/12/38/507711238.db2.gz GZKUTABKEAZJEX-UHFFFAOYSA-N 0 3 373.457 2.969 20 5 FFBDHN CN(CCCN1CCN(C)CC1)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000090092300 507908197 /nfs/dbraw/zinc/90/81/97/507908197.db2.gz SDEROKAAMUBDKM-UHFFFAOYSA-N 0 3 369.469 2.731 20 5 FFBDHN Cc1c(NC(=O)CCN2CCCN(CC(F)F)CC2)cccc1[N+](=O)[O-] ZINC000091083369 507952985 /nfs/dbraw/zinc/95/29/85/507952985.db2.gz QNVGHTHPXYRGAK-UHFFFAOYSA-N 0 3 370.400 2.505 20 5 FFBDHN CNC(=O)[C@H]1CCCN(Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000111269098 508084167 /nfs/dbraw/zinc/08/41/67/508084167.db2.gz OODQFMMFFSAGCZ-HNNXBMFYSA-N 0 3 350.418 2.904 20 5 FFBDHN C[C@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000111475320 508102866 /nfs/dbraw/zinc/10/28/66/508102866.db2.gz LKCKBEAGPDCACX-MRXNPFEDSA-N 0 3 370.453 2.957 20 5 FFBDHN CC(C)(C)C(=O)NC[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000112699497 508210972 /nfs/dbraw/zinc/21/09/72/508210972.db2.gz UXIFJKQREWSCOO-HNNXBMFYSA-N 0 3 363.458 2.848 20 5 FFBDHN CCCN(CCN(C)C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000104530357 508338212 /nfs/dbraw/zinc/33/82/12/508338212.db2.gz PMFPAZZKOYLAFK-UHFFFAOYSA-N 0 3 362.474 2.611 20 5 FFBDHN CCCc1n[nH]c(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000114799329 508348498 /nfs/dbraw/zinc/34/84/98/508348498.db2.gz DOMCHPBJTGCIPV-HNNXBMFYSA-N 0 3 371.441 2.665 20 5 FFBDHN C[C@H]([C@H]1Cc2ccccc2O1)N(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000134234798 508511074 /nfs/dbraw/zinc/51/10/74/508511074.db2.gz WKDOCOGDMNNWAB-CFLQYTFWSA-N 0 3 372.421 2.659 20 5 FFBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000157158538 508530780 /nfs/dbraw/zinc/53/07/80/508530780.db2.gz WRKFBIYPXKWIRK-SJORKVTESA-N 0 3 372.469 2.751 20 5 FFBDHN CN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000116713388 508550240 /nfs/dbraw/zinc/55/02/40/508550240.db2.gz SVGRAHPQKBQVTK-UHFFFAOYSA-N 0 3 355.822 2.570 20 5 FFBDHN C[C@@H]1CCCN(CCNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116727795 508551881 /nfs/dbraw/zinc/55/18/81/508551881.db2.gz YZIZYSNIDCUPIP-CYBMUJFWSA-N 0 3 369.849 2.865 20 5 FFBDHN CCOc1ccc([C@H](C)N[C@H](C)[C@@H](C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000153635392 508613299 /nfs/dbraw/zinc/61/32/99/508613299.db2.gz AJCRLFHNZQTMDZ-QLFBSQMISA-N 0 3 351.447 2.753 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCS[C@H](C)[C@@H]1C ZINC000118415719 508650175 /nfs/dbraw/zinc/65/01/75/508650175.db2.gz DAXZMQJOJIKWGS-NWDGAFQWSA-N 0 3 353.444 2.758 20 5 FFBDHN C[C@H]1CCCN(c2ccc(C(=O)N(C)[C@@H]3CCCN(C)C3)cc2[N+](=O)[O-])C1 ZINC000153986410 508692878 /nfs/dbraw/zinc/69/28/78/508692878.db2.gz FNRGESWEXNJCAR-DOTOQJQBSA-N 0 3 374.485 2.997 20 5 FFBDHN CC1CCN([C@@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000137883906 508766428 /nfs/dbraw/zinc/76/64/28/508766428.db2.gz ZLDGQRPLRXWVOJ-HNNXBMFYSA-N 0 3 357.414 2.521 20 5 FFBDHN CC1CCN([C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000137883906 508766432 /nfs/dbraw/zinc/76/64/32/508766432.db2.gz ZLDGQRPLRXWVOJ-HNNXBMFYSA-N 0 3 357.414 2.521 20 5 FFBDHN CN(C)Cc1ccccc1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000124033205 508773814 /nfs/dbraw/zinc/77/38/14/508773814.db2.gz VNHCMFAZRBWXFC-UHFFFAOYSA-N 0 3 366.421 2.997 20 5 FFBDHN COc1cc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000119588164 508824028 /nfs/dbraw/zinc/82/40/28/508824028.db2.gz BWGZVRNRUNFATM-PBHICJAKSA-N 0 3 369.421 2.854 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H](Nc3ccccc3)C2)c1 ZINC000154864702 508872254 /nfs/dbraw/zinc/87/22/54/508872254.db2.gz ZVUUJJYWPSQMHX-HKUYNNGSSA-N 0 3 371.437 2.911 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](OCC(C)C)C1 ZINC000120053971 508918045 /nfs/dbraw/zinc/91/80/45/508918045.db2.gz AHOOFBDXDJXUKM-OAHLLOKOSA-N 0 3 365.430 2.679 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000120079462 508924160 /nfs/dbraw/zinc/92/41/60/508924160.db2.gz ZGWNKOIOHPAFKS-SCLBCKFNSA-N 0 3 354.410 2.549 20 5 FFBDHN CC(C)CN1CCCC[C@H]1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000125070953 508926996 /nfs/dbraw/zinc/92/69/96/508926996.db2.gz FHRHQICFCVXZMH-KRWDZBQOSA-N 0 3 369.487 2.525 20 5 FFBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000125307758 508963626 /nfs/dbraw/zinc/96/36/26/508963626.db2.gz VITWQEXIQBCVHF-LSDHHAIUSA-N 0 3 360.458 2.783 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1CC(C)(C)OC1(C)C ZINC000132405153 509027435 /nfs/dbraw/zinc/02/74/35/509027435.db2.gz FFRCPAKJSSRDCV-XHDPSFHLSA-N 0 3 365.430 2.866 20 5 FFBDHN CCCc1n[nH]c(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)c1[N+](=O)[O-] ZINC000151993162 509125540 /nfs/dbraw/zinc/12/55/40/509125540.db2.gz CVDLQWZRUVPMJD-CQSZACIVSA-N 0 3 359.430 2.824 20 5 FFBDHN C[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000182404268 509220431 /nfs/dbraw/zinc/22/04/31/509220431.db2.gz IAWHHPPPVDGFGJ-DOMZBBRYSA-N 0 3 361.354 2.594 20 5 FFBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN2CCCC[C@@H]2C1 ZINC000172802767 509246041 /nfs/dbraw/zinc/24/60/41/509246041.db2.gz LLPXYKKWZXEULX-CZUORRHYSA-N 0 3 357.414 2.876 20 5 FFBDHN C[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1COc2ccccc21 ZINC000185645641 509282974 /nfs/dbraw/zinc/28/29/74/509282974.db2.gz OHTRSWFZYHAMER-GUYCJALGSA-N 0 3 355.394 2.712 20 5 FFBDHN C[C@@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[C@@H](N)c1ccccc1 ZINC000163581099 509394835 /nfs/dbraw/zinc/39/48/35/509394835.db2.gz HHARYAOBDCRPGR-DNVCBOLYSA-N 0 3 368.437 2.580 20 5 FFBDHN CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000267463692 509498595 /nfs/dbraw/zinc/49/85/95/509498595.db2.gz UEPQLLICANDKFJ-UHFFFAOYSA-N 0 3 356.220 2.524 20 5 FFBDHN C[C@H](NCc1ccc(N2CCN(C)CC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000192464477 509530809 /nfs/dbraw/zinc/53/08/09/509530809.db2.gz FKNWIXYOJCSTJX-HNNXBMFYSA-N 0 3 355.442 2.592 20 5 FFBDHN Cn1cc(N2CCC[C@@H](N[C@H]3CCCc4ccc([N+](=O)[O-])cc43)C2)cn1 ZINC000249037919 509580454 /nfs/dbraw/zinc/58/04/54/509580454.db2.gz TXGMRZFXTDFOPP-BEFAXECRSA-N 0 3 355.442 2.964 20 5 FFBDHN COC(=O)C[C@@H]1CCCCN1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000165698291 509581244 /nfs/dbraw/zinc/58/12/44/509581244.db2.gz UYCFNYULFVNXQG-AWEZNQCLSA-N 0 3 363.414 2.649 20 5 FFBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000179707822 509583991 /nfs/dbraw/zinc/58/39/91/509583991.db2.gz RFYXGTMCGOXLAZ-GFCCVEGCSA-N 0 3 360.389 2.566 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(OCCN(C)C)c2)c1 ZINC000173474979 509623839 /nfs/dbraw/zinc/62/38/39/509623839.db2.gz WKUYLUDESPZNFQ-UHFFFAOYSA-N 0 3 357.410 2.774 20 5 FFBDHN COc1ccc(NC(=O)CN[C@@H]2CCCO[C@@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000186364013 509671176 /nfs/dbraw/zinc/67/11/76/509671176.db2.gz BYUVBGUGXFKAOE-NVXWUHKLSA-N 0 3 365.430 2.725 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)CC[C@@H]2CCCCN2C)c1C ZINC000173668505 509708930 /nfs/dbraw/zinc/70/89/30/509708930.db2.gz AOIUTEMNVPELPV-HNNXBMFYSA-N 0 3 369.487 2.707 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C[C@@H](C)O)C1CCCCC1 ZINC000170691608 509724919 /nfs/dbraw/zinc/72/49/19/509724919.db2.gz VRPMPGWKKMKMPP-CYBMUJFWSA-N 0 3 365.430 2.557 20 5 FFBDHN C[C@@H]1CN(C[C@H]2CCCN2CCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000249797927 509764587 /nfs/dbraw/zinc/76/45/87/509764587.db2.gz BIKLOTAFLNMHLQ-SOLBZPMBSA-N 0 3 363.458 2.547 20 5 FFBDHN CCc1ccc([C@@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])N(C)C)cc1 ZINC000183627046 509892333 /nfs/dbraw/zinc/89/23/33/509892333.db2.gz XEFFEJJLBDEDEB-MRXNPFEDSA-N 0 3 357.414 2.977 20 5 FFBDHN CN(C)C1(CN(C)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000186842007 509909117 /nfs/dbraw/zinc/90/91/17/509909117.db2.gz DPYLPHNGRJCJDE-UHFFFAOYSA-N 0 3 354.838 2.874 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000245513756 509978009 /nfs/dbraw/zinc/97/80/09/509978009.db2.gz AVIAVTMAOGAVIG-HZPDHXFCSA-N 0 3 361.442 2.535 20 5 FFBDHN CCN1CC[C@H]2CC[C@@H](C1)N2Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000177306498 509988291 /nfs/dbraw/zinc/98/82/91/509988291.db2.gz RVWHGSSBACDECV-ZBFHGGJFSA-N 0 3 357.414 2.703 20 5 FFBDHN CCN1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000177330920 509998569 /nfs/dbraw/zinc/99/85/69/509998569.db2.gz NBRHOFKWXZSYNB-OCCSQVGLSA-N 0 3 366.849 2.745 20 5 FFBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000180606225 510011381 /nfs/dbraw/zinc/01/13/81/510011381.db2.gz AQHFHDORKZUXIS-QGZVFWFLSA-N 0 3 354.410 2.744 20 5 FFBDHN O=[N+]([O-])c1cc(Br)ccc1NC[C@@H](O)CN1CCCCC1 ZINC000171232647 510024296 /nfs/dbraw/zinc/02/42/96/510024296.db2.gz VCPRFDPZYQEERD-GFCCVEGCSA-N 0 3 358.236 2.616 20 5 FFBDHN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1F)CCNC2 ZINC000261718815 510039660 /nfs/dbraw/zinc/03/96/60/510039660.db2.gz LHOJJZAQPUEXFY-UHFFFAOYSA-N 0 3 358.373 2.820 20 5 FFBDHN C[C@@H](CN(C)C[C@H](O)COc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000183938122 510048022 /nfs/dbraw/zinc/04/80/22/510048022.db2.gz CMNRERSHIQYUIH-STQMWFEESA-N 0 3 351.428 2.527 20 5 FFBDHN O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@@H](N2CCCC2)C1 ZINC000171447142 510164067 /nfs/dbraw/zinc/16/40/67/510164067.db2.gz USUSGFSSKPEXMA-MRXNPFEDSA-N 0 3 358.442 2.505 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCCOCCO)o2)c(Cl)c1 ZINC000181216481 510306944 /nfs/dbraw/zinc/30/69/44/510306944.db2.gz GCQBJBBFHRHCLX-UHFFFAOYSA-N 0 3 354.790 2.997 20 5 FFBDHN C[C@H]1CCCN(CCNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000184449928 510331021 /nfs/dbraw/zinc/33/10/21/510331021.db2.gz GUDPLZMRLRPOGW-LBPRGKRZSA-N 0 3 354.838 2.779 20 5 FFBDHN CC1CCN(c2ccc(C(=O)N3CCN[C@@H](C)[C@H]3C)cc2[N+](=O)[O-])CC1 ZINC000262745398 510393700 /nfs/dbraw/zinc/39/37/00/510393700.db2.gz JLCAYXJMTURZAP-LSDHHAIUSA-N 0 3 360.458 2.654 20 5 FFBDHN CCO[C@@H]1C[C@@](N)(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000187712964 510398683 /nfs/dbraw/zinc/39/86/83/510398683.db2.gz QOYVNZFTYXAJQO-VQIMIIECSA-N 0 3 363.458 2.566 20 5 FFBDHN CCN1CCCC[C@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184620870 510422624 /nfs/dbraw/zinc/42/26/24/510422624.db2.gz LQRPUEUYLDOCMF-AWEZNQCLSA-N 0 3 354.838 2.922 20 5 FFBDHN COc1cc(CNC[C@H](C)CCO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000266171532 510446286 /nfs/dbraw/zinc/44/62/86/510446286.db2.gz RGNFRAAFBZHZSS-SNVBAGLBSA-N 0 3 366.336 2.653 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1cccc(O)c1 ZINC000181582668 510484430 /nfs/dbraw/zinc/48/44/30/510484430.db2.gz ZOMPDSJUHAAJKI-LBPRGKRZSA-N 0 3 359.382 2.988 20 5 FFBDHN CCC[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000181682823 510537796 /nfs/dbraw/zinc/53/77/96/510537796.db2.gz MTPYENGVQAPQQU-CZUORRHYSA-N 0 3 354.357 2.561 20 5 FFBDHN CCC1(CC)[C@@H](NCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1OC ZINC000191363455 510624445 /nfs/dbraw/zinc/62/44/45/510624445.db2.gz IOWRTTYRAYVUFU-HOTGVXAUSA-N 0 3 365.430 2.725 20 5 FFBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H]1COc2ccccc2O1 ZINC000175484704 510661976 /nfs/dbraw/zinc/66/19/76/510661976.db2.gz CSEKNQNSBVFZQS-INIZCTEOSA-N 0 3 371.393 2.695 20 5 FFBDHN COc1ccc(C(=O)N[C@H](C)CN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000182104396 510759582 /nfs/dbraw/zinc/75/95/82/510759582.db2.gz IBEXHKVMGHPCHI-CQSZACIVSA-N 0 3 357.410 2.854 20 5 FFBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)n1 ZINC000191713462 510798830 /nfs/dbraw/zinc/79/88/30/510798830.db2.gz ASFHUHMEGYNCQG-INIZCTEOSA-N 0 3 373.457 2.698 20 5 FFBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000247267797 510854928 /nfs/dbraw/zinc/85/49/28/510854928.db2.gz FIQCKGSRMPODET-WWGRRREGSA-N 0 3 351.472 2.874 20 5 FFBDHN CC(C)N1CCN(C2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000270472852 510879567 /nfs/dbraw/zinc/87/95/67/510879567.db2.gz NSEBXSXSTCCZTP-UHFFFAOYSA-N 0 3 367.881 2.638 20 5 FFBDHN O=[N+]([O-])c1ccn(CCN[C@H]2CCOc3c(Br)cccc32)n1 ZINC000282241174 510898521 /nfs/dbraw/zinc/89/85/21/510898521.db2.gz ZZXQEQFPIWWEIT-LBPRGKRZSA-N 0 3 367.203 2.667 20 5 FFBDHN CN1CC[C@@]2(CCN(C(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])C2)C1 ZINC000293925720 510901298 /nfs/dbraw/zinc/90/12/98/510901298.db2.gz PWSLZSASJVOIQW-HXUWFJFHSA-N 0 3 366.421 2.825 20 5 FFBDHN CN(CCC1CCN(c2ccncc2)CC1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000297366709 510919680 /nfs/dbraw/zinc/91/96/80/510919680.db2.gz CMNQGERDLQTEQH-UHFFFAOYSA-N 0 3 362.474 2.982 20 5 FFBDHN C[C@@H](NCc1ccc(N2CCOC2=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294057371 510941766 /nfs/dbraw/zinc/94/17/66/510941766.db2.gz GZLJYZQDHHSKDV-GFCCVEGCSA-N 0 3 356.382 2.984 20 5 FFBDHN Cc1ccc([C@H](C)NC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000364725442 511044550 /nfs/dbraw/zinc/04/45/50/511044550.db2.gz SWGFTLUDSGYZLV-BCRCDCHUSA-N 0 3 361.442 2.613 20 5 FFBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000270978091 511044875 /nfs/dbraw/zinc/04/48/75/511044875.db2.gz UYURQLMMENNALZ-AWEZNQCLSA-N 0 3 371.441 2.583 20 5 FFBDHN O=C(CCC(=O)N1CCC[C@@H]1CN1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000294742146 511162390 /nfs/dbraw/zinc/16/23/90/511162390.db2.gz OIGKTTIWDGYZAE-QGZVFWFLSA-N 0 3 359.426 2.645 20 5 FFBDHN COCCCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CCN(C)CC1 ZINC000291392695 511180821 /nfs/dbraw/zinc/18/08/21/511180821.db2.gz GQGJUSZRIMPQOA-UHFFFAOYSA-N 0 3 369.849 2.821 20 5 FFBDHN O=[N+]([O-])c1cnn(CCN[C@@H]2CCOc3c(Br)cccc32)c1 ZINC000271476039 511218278 /nfs/dbraw/zinc/21/82/78/511218278.db2.gz HZIZTNYGWVINFA-CYBMUJFWSA-N 0 3 367.203 2.667 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000298327265 511246992 /nfs/dbraw/zinc/24/69/92/511246992.db2.gz RELLLHJUVUDSTI-GOEBONIOSA-N 0 3 369.368 2.909 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000365273294 511355416 /nfs/dbraw/zinc/35/54/16/511355416.db2.gz YZUINGZITVRRJY-AWEZNQCLSA-N 0 3 371.393 2.573 20 5 FFBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000273846517 511629061 /nfs/dbraw/zinc/62/90/61/511629061.db2.gz GTYXDUFQMOSIBD-SUMWQHHRSA-N 0 3 363.433 2.954 20 5 FFBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(CN(C)C)c1 ZINC000280935933 511659424 /nfs/dbraw/zinc/65/94/24/511659424.db2.gz KYIFQQLHLNAMLY-UHFFFAOYSA-N 0 3 357.410 2.985 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](c2cccs2)N(C)C)n1 ZINC000281005934 511685608 /nfs/dbraw/zinc/68/56/08/511685608.db2.gz QDWDAGHZPYPTEC-GFCCVEGCSA-N 0 3 350.400 2.553 20 5 FFBDHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](CO)c1ccc(Cl)cc1 ZINC000296409040 511731292 /nfs/dbraw/zinc/73/12/92/511731292.db2.gz UHUOLXWVMOWHSJ-IAGOWNOFSA-N 0 3 350.802 2.947 20 5 FFBDHN Nc1c(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000312662575 511785997 /nfs/dbraw/zinc/78/59/97/511785997.db2.gz MMYDWXDGCWHWQZ-INIZCTEOSA-N 0 3 368.437 2.819 20 5 FFBDHN C[C@H](NC[C@](C)(O)CNC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000296688150 511854987 /nfs/dbraw/zinc/85/49/87/511854987.db2.gz JIHYLCQJYGDRHJ-SJCJKPOMSA-N 0 3 353.419 2.521 20 5 FFBDHN Cc1nc(NCc2ccc(OC3CCN(C)CC3)cc2)ncc1[N+](=O)[O-] ZINC000296769664 511890473 /nfs/dbraw/zinc/89/04/73/511890473.db2.gz MPHYRPJKGMADQY-UHFFFAOYSA-N 0 3 357.414 2.778 20 5 FFBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NCc1cccc(N2CCOCC2)n1 ZINC000274780451 511940721 /nfs/dbraw/zinc/94/07/21/511940721.db2.gz KRZBYACLWUSTQI-MRXNPFEDSA-N 0 3 370.453 2.937 20 5 FFBDHN C[C@H](N[C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293572198 512013946 /nfs/dbraw/zinc/01/39/46/512013946.db2.gz DNZYDBVAPGOGQC-SWLSCSKDSA-N 0 3 354.410 2.913 20 5 FFBDHN Cc1ccc([C@H](CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)N2CCOCC2)o1 ZINC000293609404 512025414 /nfs/dbraw/zinc/02/54/14/512025414.db2.gz GNGJDHXFQCMVHT-KSSFIOAISA-N 0 3 374.441 2.803 20 5 FFBDHN CCc1n[nH]c(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000371557828 512464031 /nfs/dbraw/zinc/46/40/31/512464031.db2.gz IABAZUIKIXMAPT-HNNXBMFYSA-N 0 3 371.441 2.522 20 5 FFBDHN Cc1noc(C2(C)CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000371576389 512474274 /nfs/dbraw/zinc/47/42/74/512474274.db2.gz WLYRHESAOCPBIQ-UHFFFAOYSA-N 0 3 373.413 2.669 20 5 FFBDHN CC(C)N1CCN([C@@H]2CCN(c3ccc4ncccc4c3[N+](=O)[O-])C2)CC1 ZINC000375871893 512547158 /nfs/dbraw/zinc/54/71/58/512547158.db2.gz LXQOGXAWQPAQFA-MRXNPFEDSA-N 0 3 369.469 2.748 20 5 FFBDHN CC(C)N1CCN([C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000367768264 512654244 /nfs/dbraw/zinc/65/42/44/512654244.db2.gz IDJDPLWJDCQROP-KRWDZBQOSA-N 0 3 366.893 2.849 20 5 FFBDHN C[C@@H](NCCCN1C(=O)NC2(CCCCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000369887199 512665831 /nfs/dbraw/zinc/66/58/31/512665831.db2.gz JKEPNVRKQSBLJK-CQSZACIVSA-N 0 3 374.441 2.890 20 5 FFBDHN O=C(CCN(CCO)Cc1cccc(F)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411631856 512727894 /nfs/dbraw/zinc/72/78/94/512727894.db2.gz NWBHTLPQKCBNGU-UHFFFAOYSA-N 0 3 361.373 2.557 20 5 FFBDHN CCN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000378406447 512743700 /nfs/dbraw/zinc/74/37/00/512743700.db2.gz UONIMWCDACWSTO-HOCLYGCPSA-N 0 3 371.441 2.626 20 5 FFBDHN C[C@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000374309528 512757746 /nfs/dbraw/zinc/75/77/46/512757746.db2.gz JQLZBCJNCFIRSO-ZFWWWQNUSA-N 0 3 352.866 2.710 20 5 FFBDHN CC(C)(O)CN1CCc2c(cccc2NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000368166877 512828488 /nfs/dbraw/zinc/82/84/88/512828488.db2.gz KFOKKLRJBUYVGN-UHFFFAOYSA-N 0 3 359.382 2.569 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCc2ccccc2OC1 ZINC000374540055 512880801 /nfs/dbraw/zinc/88/08/01/512880801.db2.gz VWISZQJZZDXRCW-AWEZNQCLSA-N 0 3 371.393 2.525 20 5 FFBDHN NC(=O)[C@@]1(c2ccccc2)CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000411957884 512888993 /nfs/dbraw/zinc/88/89/93/512888993.db2.gz BQZSNQRHYQJDLM-SFHVURJKSA-N 0 3 359.813 2.877 20 5 FFBDHN NC(=O)[C@]1(c2ccccc2)CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000411962554 512891651 /nfs/dbraw/zinc/89/16/51/512891651.db2.gz GNGBBLFFRHSMNA-GOSISDBHSA-N 0 3 359.813 2.877 20 5 FFBDHN O=C(CNc1nccc2c1cccc2[N+](=O)[O-])NCCN1CCCCCC1 ZINC000450540305 513242542 /nfs/dbraw/zinc/24/25/42/513242542.db2.gz NJMYIHNNVYCAJW-UHFFFAOYSA-N 0 3 371.441 2.547 20 5 FFBDHN CNC(=O)[C@@H]1CCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000421396793 513247524 /nfs/dbraw/zinc/24/75/24/513247524.db2.gz ZUKNAQAIQBEFMU-MRXNPFEDSA-N 0 3 368.437 2.931 20 5 FFBDHN CO[C@H](Cc1ccccc1)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450561484 513251678 /nfs/dbraw/zinc/25/16/78/513251678.db2.gz FWHODNXLEFAXHT-SJLPKXTDSA-N 0 3 356.426 2.734 20 5 FFBDHN C[C@H](NC(=O)NC[C@H]1NCCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000417992288 513322533 /nfs/dbraw/zinc/32/25/33/513322533.db2.gz WKFWGSKBRGBMAY-SUMWQHHRSA-N 0 3 354.410 2.842 20 5 FFBDHN COc1ccc(OCCN(C)Cc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000441177177 513505712 /nfs/dbraw/zinc/50/57/12/513505712.db2.gz MSZHOGRLLNGGNT-UHFFFAOYSA-N 0 3 360.366 2.843 20 5 FFBDHN N[C@@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccccc1 ZINC000418432577 513508986 /nfs/dbraw/zinc/50/89/86/513508986.db2.gz SLUSAHIRJNRIJG-SFHVURJKSA-N 0 3 354.410 2.969 20 5 FFBDHN CCNC(=O)c1ccc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447564775 513510184 /nfs/dbraw/zinc/51/01/84/513510184.db2.gz ZCNPQEKJSDOETJ-IAGOWNOFSA-N 0 3 371.441 2.815 20 5 FFBDHN C[C@@H](O)CN(CCn1cc([N+](=O)[O-])cn1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441271719 513526703 /nfs/dbraw/zinc/52/67/03/513526703.db2.gz ROZLKTNBWCTNNI-ZIAGYGMSSA-N 0 3 366.849 2.759 20 5 FFBDHN O=C(Nc1ccc2c(c1)CNC2)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000415998137 513529703 /nfs/dbraw/zinc/52/97/03/513529703.db2.gz RFUUCKAUSOPQGC-UHFFFAOYSA-N 0 3 367.409 2.552 20 5 FFBDHN CCCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccccc1OC ZINC000441289775 513531678 /nfs/dbraw/zinc/53/16/78/513531678.db2.gz VHFJHCXESKTZDD-ZBFHGGJFSA-N 0 3 362.430 2.634 20 5 FFBDHN CS[C@@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000425426818 513559616 /nfs/dbraw/zinc/55/96/16/513559616.db2.gz WUVULMZUNHEEQW-ZIAGYGMSSA-N 0 3 374.304 2.835 20 5 FFBDHN COc1ccc(CNC(=O)C[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000416130266 513585739 /nfs/dbraw/zinc/58/57/39/513585739.db2.gz HUEVMMLRGSNBCM-MRXNPFEDSA-N 0 3 357.410 2.913 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000430211260 513588209 /nfs/dbraw/zinc/58/82/09/513588209.db2.gz XHOPTXFDWRHADD-DAYGRLMNSA-N 0 3 363.458 2.677 20 5 FFBDHN O=[N+]([O-])c1cc(F)c(CN[C@@H](C2CCOCC2)C2(CO)CCC2)c(F)c1 ZINC000425531866 513624237 /nfs/dbraw/zinc/62/42/37/513624237.db2.gz ATYYKBBKJPFTKT-KRWDZBQOSA-N 0 3 370.396 2.920 20 5 FFBDHN CN(CCn1cc([N+](=O)[O-])cc(Br)c1=O)Cc1ccccc1 ZINC000418920514 513690829 /nfs/dbraw/zinc/69/08/29/513690829.db2.gz LAPNHKLNDMKNIC-UHFFFAOYSA-N 0 3 366.215 2.651 20 5 FFBDHN CC(C)O[C@@H]1C[C@@H](NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000451492168 513785906 /nfs/dbraw/zinc/78/59/06/513785906.db2.gz FRYXTFSLLUCKLG-IAGOWNOFSA-N 0 3 361.442 2.666 20 5 FFBDHN CN(C)C1(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000448570729 513786299 /nfs/dbraw/zinc/78/62/99/513786299.db2.gz DHQLOAYFFKIWRQ-UHFFFAOYSA-N 0 3 361.442 2.938 20 5 FFBDHN CCOc1ccc(NC(=O)CN[C@@H]2[C@@H](C)[C@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451494859 513786804 /nfs/dbraw/zinc/78/68/04/513786804.db2.gz GWTIVXMGQKMPNS-LQAWEQHXSA-N 0 3 365.430 2.581 20 5 FFBDHN CN(C)[C@H]1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436319903 513825804 /nfs/dbraw/zinc/82/58/04/513825804.db2.gz GAEXPDQACDWGMR-LBPRGKRZSA-N 0 3 353.397 2.597 20 5 FFBDHN CO[C@@H]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1(C)C ZINC000451558519 513832763 /nfs/dbraw/zinc/83/27/63/513832763.db2.gz DCBBYPIQJBVNGJ-MRXNPFEDSA-N 0 3 363.414 2.640 20 5 FFBDHN CC(C)[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](CO)C(C)C ZINC000451599243 513857955 /nfs/dbraw/zinc/85/79/55/513857955.db2.gz PVDHJPVVKQGUAG-RRQGHBQHSA-N 0 3 351.447 2.801 20 5 FFBDHN CC(C)[C@H](CO)[C@@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(C)C ZINC000451600769 513859544 /nfs/dbraw/zinc/85/95/44/513859544.db2.gz SQXRKPRTJKNONQ-BZSNNMDCSA-N 0 3 363.458 2.579 20 5 FFBDHN Cc1cc(OCC(=O)NC[C@H](Cc2ccccc2)N(C)C)ccc1[N+](=O)[O-] ZINC000431358293 513880955 /nfs/dbraw/zinc/88/09/55/513880955.db2.gz LWEZNPUPYPIYQG-KRWDZBQOSA-N 0 3 371.437 2.571 20 5 FFBDHN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(C2CCCC2)C1 ZINC000448923418 513973244 /nfs/dbraw/zinc/97/32/44/513973244.db2.gz FUIJROUCKZXKHO-OAHLLOKOSA-N 0 3 359.426 2.691 20 5 FFBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448934725 513979226 /nfs/dbraw/zinc/97/92/26/513979226.db2.gz WTXJZFZBESZQPJ-GJZGRUSLSA-N 0 3 361.442 2.937 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000423062206 514024991 /nfs/dbraw/zinc/02/49/91/514024991.db2.gz MOEDVFWKLPZVHN-KRWDZBQOSA-N 0 3 357.410 2.946 20 5 FFBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCNCC2)cn1 ZINC000423242625 514090691 /nfs/dbraw/zinc/09/06/91/514090691.db2.gz ZCEWCRQNEKDODX-OAHLLOKOSA-N 0 3 355.442 2.833 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000427095926 514114967 /nfs/dbraw/zinc/11/49/67/514114967.db2.gz ZALMWWCCLFCZDZ-HOCLYGCPSA-N 0 3 369.421 2.996 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437345546 514145469 /nfs/dbraw/zinc/14/54/69/514145469.db2.gz LEJYLWNQWNBMQR-LKFCYVNXSA-N 0 3 357.332 2.826 20 5 FFBDHN COc1ccc(-c2ccc(CN3CC[C@@H](C(=O)N(C)C)C3)o2)c([N+](=O)[O-])c1 ZINC000414494902 514148562 /nfs/dbraw/zinc/14/85/62/514148562.db2.gz FVTCZZZQOOGYGY-CYBMUJFWSA-N 0 3 373.409 2.774 20 5 FFBDHN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCN(C2CC2)C1 ZINC000452171070 514229841 /nfs/dbraw/zinc/22/98/41/514229841.db2.gz JSPBFZABEANDPR-CYBMUJFWSA-N 0 3 354.410 2.699 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437987925 514283568 /nfs/dbraw/zinc/28/35/68/514283568.db2.gz RMXSVURGFNEJAY-GUYCJALGSA-N 0 3 358.442 2.752 20 5 FFBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H]1NCCc2ccccc21 ZINC000414941913 514366734 /nfs/dbraw/zinc/36/67/34/514366734.db2.gz BGYNRQHGHMRWPQ-IFXJQAMLSA-N 0 3 368.437 2.789 20 5 FFBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](N)Cc2ccccc21 ZINC000424068913 514367937 /nfs/dbraw/zinc/36/79/37/514367937.db2.gz BFNIBMDBIIXZCS-TZMCWYRMSA-N 0 3 357.435 2.992 20 5 FFBDHN N[C@H]1Cc2ccccc2N(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000424081185 514373776 /nfs/dbraw/zinc/37/37/76/514373776.db2.gz VDPSWMRGOYMSFT-INIZCTEOSA-N 0 3 366.421 2.725 20 5 FFBDHN CCc1n[nH]c(C(=O)NCC2(N(C)Cc3ccccc3)CCC2)c1[N+](=O)[O-] ZINC000452728114 514476649 /nfs/dbraw/zinc/47/66/49/514476649.db2.gz HWLKRCUDCIPUCG-UHFFFAOYSA-N 0 3 371.441 2.665 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)c1 ZINC000428531926 514489905 /nfs/dbraw/zinc/48/99/05/514489905.db2.gz AXJLRSCBVGQFQT-INIZCTEOSA-N 0 3 355.394 2.722 20 5 FFBDHN CCc1ccc([C@H](CNc2cccc(C(N)=O)c2[N+](=O)[O-])N(C)C)cc1 ZINC000439137079 514498973 /nfs/dbraw/zinc/49/89/73/514498973.db2.gz ZMWGERWCMOVXGV-KRWDZBQOSA-N 0 3 356.426 2.971 20 5 FFBDHN CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000475305355 514611256 /nfs/dbraw/zinc/61/12/56/514611256.db2.gz NPLLDKRTQSZKKE-SFHVURJKSA-N 0 3 353.422 2.870 20 5 FFBDHN Cn1c(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000461434742 514615974 /nfs/dbraw/zinc/61/59/74/514615974.db2.gz ZCIHLPUNTABPJA-DLBZAZTESA-N 0 3 368.437 2.527 20 5 FFBDHN Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1OCCN(C)C ZINC000458194851 514616326 /nfs/dbraw/zinc/61/63/26/514616326.db2.gz HBAYSKGNHAVUQD-UHFFFAOYSA-N 0 3 373.409 2.861 20 5 FFBDHN COc1c(C(=O)N(CCN(C)C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000475327026 514622847 /nfs/dbraw/zinc/62/28/47/514622847.db2.gz ZHMUIGXAHDEDNV-UHFFFAOYSA-N 0 3 357.410 2.807 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000467047270 514876729 /nfs/dbraw/zinc/87/67/29/514876729.db2.gz RKLRRIRYOIAUQV-IAQYHMDHSA-N 0 3 372.450 2.931 20 5 FFBDHN COc1c(C(=O)N(CCN(C)C)Cc2cccc(O)c2)cccc1[N+](=O)[O-] ZINC000476379120 515026453 /nfs/dbraw/zinc/02/64/53/515026453.db2.gz ZUJIREUDMUSCKX-UHFFFAOYSA-N 0 3 373.409 2.513 20 5 FFBDHN Cn1nc2c(c1CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)CCCC2 ZINC000462807087 515253207 /nfs/dbraw/zinc/25/32/07/515253207.db2.gz LNEZNXCIFUHOFK-HZPDHXFCSA-N 0 3 358.446 2.677 20 5 FFBDHN CS[C@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1N1CCCC1 ZINC000509622069 515262689 /nfs/dbraw/zinc/26/26/89/515262689.db2.gz BFIIWQYJFAVELL-HOTGVXAUSA-N 0 3 357.426 2.885 20 5 FFBDHN O=C(Cc1ccccc1)N1CCC[C@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000509960248 515383143 /nfs/dbraw/zinc/38/31/43/515383143.db2.gz UMPPIEZMOCNWRS-SFHVURJKSA-N 0 3 353.422 2.918 20 5 FFBDHN CN(Cc1ccccc1)[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)C1CC1 ZINC000477298948 515404834 /nfs/dbraw/zinc/40/48/34/515404834.db2.gz YJGHXWKUSSZBTR-QGZVFWFLSA-N 0 3 356.426 2.574 20 5 FFBDHN CN(C)CCOc1cccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000500108269 515593905 /nfs/dbraw/zinc/59/39/05/515593905.db2.gz UBZSOJFLGPTSHW-UHFFFAOYSA-N 0 3 369.381 2.664 20 5 FFBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000457083580 515636663 /nfs/dbraw/zinc/63/66/63/515636663.db2.gz FNWVPDHPZLJSIU-CYBMUJFWSA-N 0 3 370.247 2.912 20 5 FFBDHN CC(C)N1CC[C@H](N(C)C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000457089853 515641481 /nfs/dbraw/zinc/64/14/81/515641481.db2.gz LORTXBXYVJROKS-LBPRGKRZSA-N 0 3 357.357 2.751 20 5 FFBDHN CC(C)C[C@H](Nc1nc2ccccc2cc1[N+](=O)[O-])C(=O)NCCN(C)C ZINC000473525694 515647052 /nfs/dbraw/zinc/64/70/52/515647052.db2.gz ZFWLABUDYIWQDC-INIZCTEOSA-N 0 3 373.457 2.647 20 5 FFBDHN COc1ccc(OCCN(Cc2cnn(C)c2)CC(C)C)c([N+](=O)[O-])c1 ZINC000459594837 515678365 /nfs/dbraw/zinc/67/83/65/515678365.db2.gz PSNDWHPFUBBUGR-UHFFFAOYSA-N 0 3 362.430 2.874 20 5 FFBDHN CC[NH+](CC)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)CC(C)C ZINC000469251775 515742374 /nfs/dbraw/zinc/74/23/74/515742374.db2.gz WSGVIVXKQPZOPL-GFCCVEGCSA-N 0 3 363.505 2.691 20 5 FFBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCc2nn(C)cc21 ZINC000511004247 515743219 /nfs/dbraw/zinc/74/32/19/515743219.db2.gz YXJYLRBUFDCBPD-BLLLJJGKSA-N 0 3 357.414 2.713 20 5 FFBDHN CC(C)[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CCN1C ZINC000487138629 515774072 /nfs/dbraw/zinc/77/40/72/515774072.db2.gz NRORSSUEDMMSHU-SFHVURJKSA-N 0 3 360.458 2.607 20 5 FFBDHN CNc1nc(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000454958051 515857300 /nfs/dbraw/zinc/85/73/00/515857300.db2.gz VHHNTFBPTUDSBS-HIFRSBDPSA-N 0 3 369.425 2.597 20 5 FFBDHN CN(C)C1(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCC1 ZINC000474099455 515882384 /nfs/dbraw/zinc/88/23/84/515882384.db2.gz UMHNSHIFYUTKSI-UHFFFAOYSA-N 0 3 360.439 2.932 20 5 FFBDHN C[C@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000511471402 515917990 /nfs/dbraw/zinc/91/79/90/515917990.db2.gz AORYDJHUBHUQQH-HZPDHXFCSA-N 0 3 362.474 2.899 20 5 FFBDHN CSC1(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCN(C)CC1 ZINC000464699685 515927933 /nfs/dbraw/zinc/92/79/33/515927933.db2.gz NYAFRDAGMYHUQN-UHFFFAOYSA-N 0 3 357.863 2.805 20 5 FFBDHN COc1cc(C(=O)NC[C@H](Cc2ccccc2)N(C)C)cc([N+](=O)[O-])c1C ZINC000478741384 515947425 /nfs/dbraw/zinc/94/74/25/515947425.db2.gz VLYPEHIAZGIEOG-KRWDZBQOSA-N 0 3 371.437 2.815 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H]1CN(C)C ZINC000464925373 516016951 /nfs/dbraw/zinc/01/69/51/516016951.db2.gz IUHGHZWXEHFKCY-WCQYABFASA-N 0 3 355.822 2.568 20 5 FFBDHN CC(C)[C@H]1CN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1C ZINC000487960524 516053458 /nfs/dbraw/zinc/05/34/58/516053458.db2.gz FJIHAGQBYKWISX-CZUORRHYSA-N 0 3 359.430 2.978 20 5 FFBDHN Cc1ccc(NCCCNC(=O)[C@@H](CN)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000479150214 516079455 /nfs/dbraw/zinc/07/94/55/516079455.db2.gz BCZJRFOGQFOQJV-INIZCTEOSA-N 0 3 374.416 2.703 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000465402467 516143105 /nfs/dbraw/zinc/14/31/05/516143105.db2.gz HRYMPWOIHCOVKP-BKGUAONASA-N 0 3 365.430 2.724 20 5 FFBDHN C[C@H]1C[C@H](C)CN(C(C)(C)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000507274874 516152249 /nfs/dbraw/zinc/15/22/49/516152249.db2.gz AAVZCHBKOIYPAH-KBPBESRZSA-N 0 3 369.487 2.630 20 5 FFBDHN CCN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000507470137 516218923 /nfs/dbraw/zinc/21/89/23/516218923.db2.gz TXTKTYVFQAQGLF-HIFRSBDPSA-N 0 3 357.414 2.616 20 5 FFBDHN COC[C@H](CNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)OC ZINC000512385899 516259174 /nfs/dbraw/zinc/25/91/74/516259174.db2.gz BGIWXKRBHBFKIF-AWEZNQCLSA-N 0 3 350.371 2.614 20 5 FFBDHN COc1cc(CNCC2(OC)CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000507706996 516285940 /nfs/dbraw/zinc/28/59/40/516285940.db2.gz JBDDBEVXPLBNLR-UHFFFAOYSA-N 0 3 360.357 2.906 20 5 FFBDHN C[C@H]1CCCN(CCCCNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000497544291 516325861 /nfs/dbraw/zinc/32/58/61/516325861.db2.gz WKEBOALATLKCGO-AWEZNQCLSA-N 0 3 369.487 2.922 20 5 FFBDHN O=C(N1CCCC1)N1CCC[C@@H](NC/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000512885127 516401263 /nfs/dbraw/zinc/40/12/63/516401263.db2.gz KYVSGURXBZJWSL-CTEOGUNLSA-N 0 3 358.442 2.878 20 5 FFBDHN O=C(N1CCCC1)N1CCC[C@@H](NC/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000512885129 516401301 /nfs/dbraw/zinc/40/13/01/516401301.db2.gz KYVSGURXBZJWSL-ZGRWHYIRSA-N 0 3 358.442 2.878 20 5 FFBDHN CC(C)c1ccc(CNC[C@@H]2CCCCN2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000512998060 516435775 /nfs/dbraw/zinc/43/57/75/516435775.db2.gz SWSJCMKGHJTMBU-HNNXBMFYSA-N 0 3 369.487 2.622 20 5 FFBDHN COc1ccc(C(=O)N(C)CCCN(C)Cc2ccncc2)cc1[N+](=O)[O-] ZINC000517765855 516443384 /nfs/dbraw/zinc/44/33/84/516443384.db2.gz KREYZAHJHGLVPZ-UHFFFAOYSA-N 0 3 372.425 2.593 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](CO)c1cccc(F)c1 ZINC000543814952 516444053 /nfs/dbraw/zinc/44/40/53/516444053.db2.gz TVDIQDHPEIKJCZ-QGZVFWFLSA-N 0 3 361.373 2.694 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000531388796 516444673 /nfs/dbraw/zinc/44/46/73/516444673.db2.gz CVOMBFKJRMAUAF-RHSMWYFYSA-N 0 3 356.426 2.574 20 5 FFBDHN CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)N1CCc2ccccc2C1 ZINC000531624600 516560313 /nfs/dbraw/zinc/56/03/13/516560313.db2.gz XMSJWCZYYQTXFE-IBGZPJMESA-N 0 3 368.437 2.803 20 5 FFBDHN CCc1ccc([C@H]2CCCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000513400946 516606293 /nfs/dbraw/zinc/60/62/93/516606293.db2.gz IGAWCINNALTFLK-PKOBYXMFSA-N 0 3 358.442 2.594 20 5 FFBDHN C[C@H](CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])N1CCCCC1 ZINC000544138434 516608372 /nfs/dbraw/zinc/60/83/72/516608372.db2.gz LTNJMTIYGVCZCC-CYBMUJFWSA-N 0 3 355.460 2.675 20 5 FFBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000518596613 516717847 /nfs/dbraw/zinc/71/78/47/516717847.db2.gz GRNLUWOADMWEGW-GASCZTMLSA-N 0 3 371.441 2.773 20 5 FFBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000561721659 516732249 /nfs/dbraw/zinc/73/22/49/516732249.db2.gz VKVUDDDZKWVUPT-QGZVFWFLSA-N 0 3 360.458 2.796 20 5 FFBDHN Cc1c(Br)c(N(C)[C@H]2CCN(C)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000544392830 516739906 /nfs/dbraw/zinc/73/99/06/516739906.db2.gz BFBMFHMWOUIOFE-ONGXEEELSA-N 0 3 357.252 2.980 20 5 FFBDHN COCCN1CCCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000536389769 516747524 /nfs/dbraw/zinc/74/75/24/516747524.db2.gz HFNNSMKCHTYISS-UHFFFAOYSA-N 0 3 356.426 2.815 20 5 FFBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000561777385 516768034 /nfs/dbraw/zinc/76/80/34/516768034.db2.gz WBJFMQRYPWKQTB-QGZVFWFLSA-N 0 3 362.474 2.899 20 5 FFBDHN CCN(CCN1CCCCCC1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000561861392 516802728 /nfs/dbraw/zinc/80/27/28/516802728.db2.gz UDLKJPUNUDSXQL-UHFFFAOYSA-N 0 3 363.414 2.662 20 5 FFBDHN O=C(Nc1ccc(CCN2CCSCC2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000532137595 516818572 /nfs/dbraw/zinc/81/85/72/516818572.db2.gz ZLVKXOQCBXUKBI-UHFFFAOYSA-N 0 3 372.450 2.833 20 5 FFBDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC000551792428 516872592 /nfs/dbraw/zinc/87/25/92/516872592.db2.gz KSNNIYBIQOGCNE-GOSISDBHSA-N 0 3 357.410 2.945 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCc1nnnn1-c1ccccc1 ZINC000558698235 516895069 /nfs/dbraw/zinc/89/50/69/516895069.db2.gz ZUFBNOLQYWZQMO-AWEZNQCLSA-N 0 3 352.398 2.772 20 5 FFBDHN CN(CC1CCN(C)CC1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514223943 516910990 /nfs/dbraw/zinc/91/09/90/516910990.db2.gz VCLPQUXVKUMMEY-UHFFFAOYSA-N 0 3 357.357 2.610 20 5 FFBDHN Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)N2CCCC2)cc1 ZINC000532394538 516950628 /nfs/dbraw/zinc/95/06/28/516950628.db2.gz QQWIHQSCRBPPII-GOSISDBHSA-N 0 3 354.410 2.865 20 5 FFBDHN CCN1CCCC[C@@H]1CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000552044173 517046634 /nfs/dbraw/zinc/04/66/34/517046634.db2.gz SYQQNTPYUKSWAT-MSOLQXFVSA-N 0 3 357.458 2.882 20 5 FFBDHN Cc1sc(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)cc1[N+](=O)[O-] ZINC000552201021 517138697 /nfs/dbraw/zinc/13/86/97/517138697.db2.gz YFEUUZNZXHUTFY-AWEZNQCLSA-N 0 3 361.423 2.784 20 5 FFBDHN Cn1cc([C@H]2CN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000555880039 517164651 /nfs/dbraw/zinc/16/46/51/517164651.db2.gz IEWPLZPDWLHSIM-OAHLLOKOSA-N 0 3 371.441 2.783 20 5 FFBDHN COC(=O)c1cc(C)nc(NC[C@@H](c2ccc(C)cc2)N(C)C)c1[N+](=O)[O-] ZINC000559612957 517341524 /nfs/dbraw/zinc/34/15/24/517341524.db2.gz ALNKUOGLEHBBAT-INIZCTEOSA-N 0 3 372.425 2.530 20 5 FFBDHN CC(C)(C)[C@@H]1C[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000515415604 517344393 /nfs/dbraw/zinc/34/43/93/517344393.db2.gz VAWUAWJWZGCWBA-CJNGLKHVSA-N 0 3 370.471 2.552 20 5 FFBDHN O=C(NCC1CCN(c2ccncc2)CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000537896724 517395499 /nfs/dbraw/zinc/39/54/99/517395499.db2.gz IFWWRGAFJCSKOF-UHFFFAOYSA-N 0 3 358.373 2.775 20 5 FFBDHN CC(C)CC[C@@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000549237064 517470052 /nfs/dbraw/zinc/47/00/52/517470052.db2.gz JETKQWIKYVIJSU-OAHLLOKOSA-N 0 3 369.487 2.678 20 5 FFBDHN C[C@@H]1CCN(CCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000542351052 517516401 /nfs/dbraw/zinc/51/64/01/517516401.db2.gz DDIFBZCRSLTWIW-LLVKDONJSA-N 0 3 357.863 2.798 20 5 FFBDHN COc1ccc(C(=O)N[C@H](Cc2ccccc2)CN(C)C)cc1[N+](=O)[O-] ZINC000515989141 517529562 /nfs/dbraw/zinc/52/95/62/517529562.db2.gz GDEXRHGZPXINRL-MRXNPFEDSA-N 0 3 357.410 2.506 20 5 FFBDHN Cc1cc(N2C[C@@H](N3CCOCC3)C[C@@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000553264230 517611443 /nfs/dbraw/zinc/61/14/43/517611443.db2.gz ILTWQBYCSMPYHP-HOCLYGCPSA-N 0 3 356.426 2.751 20 5 FFBDHN CS[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1N(C)C ZINC000546549694 517720475 /nfs/dbraw/zinc/72/04/75/517720475.db2.gz MMHRVFLSTVJZLW-LSDHHAIUSA-N 0 3 369.462 2.516 20 5 FFBDHN COC(=O)COc1ccc(CN[C@@H](C)Cc2ccsc2)cc1[N+](=O)[O-] ZINC000530441553 517775885 /nfs/dbraw/zinc/77/58/85/517775885.db2.gz VJXFNWHQRPZPEF-LBPRGKRZSA-N 0 3 364.423 2.929 20 5 FFBDHN CC(C)OCC[C@@H](O)CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000521614381 517797053 /nfs/dbraw/zinc/79/70/53/517797053.db2.gz LUCDACAEUNEONV-CQSZACIVSA-N 0 3 350.337 2.879 20 5 FFBDHN Cc1nccn1CCCCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000560530041 517877178 /nfs/dbraw/zinc/87/71/78/517877178.db2.gz YJIQKAPJSQEZGW-SFHVURJKSA-N 0 3 368.441 2.993 20 5 FFBDHN C[C@H](CNC[C@H](O)COc1ccccc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000521862581 517877770 /nfs/dbraw/zinc/87/77/70/517877770.db2.gz FRFRDNZXNNWNBN-HIFRSBDPSA-N 0 3 364.373 2.531 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)CCN1Cc1ccccc1 ZINC000530709895 517933507 /nfs/dbraw/zinc/93/35/07/517933507.db2.gz KJSDWHRIPIZBGT-GDBMZVCRSA-N 0 3 356.426 2.716 20 5 FFBDHN COCCSc1ccc([C@@H](C)NCCn2ccc([N+](=O)[O-])n2)cc1 ZINC000539306320 517984436 /nfs/dbraw/zinc/98/44/36/517984436.db2.gz RKVZNLIHMYOPNG-CYBMUJFWSA-N 0 3 350.444 2.881 20 5 FFBDHN CC(C)(C)N1CCCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000522107144 517986402 /nfs/dbraw/zinc/98/64/02/517986402.db2.gz UYCQLOKTOQVQOM-UHFFFAOYSA-N 0 3 360.458 2.798 20 5 FFBDHN COc1ccc(CNC[C@H](O)COc2cc(C)ccc2C)cc1[N+](=O)[O-] ZINC000517186848 518051000 /nfs/dbraw/zinc/05/10/00/518051000.db2.gz IUJYOBJSTBMUBD-INIZCTEOSA-N 0 3 360.410 2.750 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000522386959 518095262 /nfs/dbraw/zinc/09/52/62/518095262.db2.gz QKRGINYGRBIKTN-STQMWFEESA-N 0 3 369.849 2.816 20 5 FFBDHN O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CCCN(Cc2cccnc2)C1 ZINC000522830459 518168170 /nfs/dbraw/zinc/16/81/70/518168170.db2.gz VGABNXYUYUMTTB-KRWDZBQOSA-N 0 3 354.410 2.518 20 5 FFBDHN CC(C)C[C@H]1C[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000581365855 518250530 /nfs/dbraw/zinc/25/05/30/518250530.db2.gz PKQZPTGFWCRFFG-HOCLYGCPSA-N 0 3 370.471 2.552 20 5 FFBDHN COc1ccc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000584287053 518264482 /nfs/dbraw/zinc/26/44/82/518264482.db2.gz SAOZTIUFQVAHPJ-AWEZNQCLSA-N 0 3 366.801 2.786 20 5 FFBDHN C[C@H]1C[C@@H](N(C)C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CCN1C ZINC000578569180 518268599 /nfs/dbraw/zinc/26/85/99/518268599.db2.gz MJMZNQQUDIBHSM-ZFWWWQNUSA-N 0 3 373.457 2.743 20 5 FFBDHN Cc1cccc(C)c1OCCNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566968217 518289581 /nfs/dbraw/zinc/28/95/81/518289581.db2.gz JFYKTTGBZMHNRV-INIZCTEOSA-N 0 3 360.410 2.620 20 5 FFBDHN O=[N+]([O-])c1ccccc1N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000584357220 518300120 /nfs/dbraw/zinc/30/01/20/518300120.db2.gz XHAOQOFVXXVHEW-IBGZPJMESA-N 0 3 366.465 2.991 20 5 FFBDHN CN1CCN(CCN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1(C)C ZINC000564091576 518303557 /nfs/dbraw/zinc/30/35/57/518303557.db2.gz WRSIDBOSJIYDCZ-OAHLLOKOSA-N 0 3 374.407 2.814 20 5 FFBDHN CSc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)N(C)C)cc1 ZINC000572876974 518404118 /nfs/dbraw/zinc/40/41/18/518404118.db2.gz GOCXCRQVXQOOIB-HNNXBMFYSA-N 0 3 362.455 2.688 20 5 FFBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@H]1CS(=O)(=O)c2ccccc21 ZINC000581894483 518490781 /nfs/dbraw/zinc/49/07/81/518490781.db2.gz VBEIHIKPVRPOFO-LRDDRELGSA-N 0 3 358.419 2.743 20 5 FFBDHN O=[N+]([O-])c1cccc(Cl)c1CN[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000573286424 518592254 /nfs/dbraw/zinc/59/22/54/518592254.db2.gz BOLLBFZRRDUEPC-DOTOQJQBSA-N 0 3 353.850 2.981 20 5 FFBDHN CN1CCC[C@@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000585808423 518613575 /nfs/dbraw/zinc/61/35/75/518613575.db2.gz BRGPOXDCCXBGGP-SNVBAGLBSA-N 0 3 357.208 2.573 20 5 FFBDHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CNCc2ccccc21 ZINC000564929248 518700894 /nfs/dbraw/zinc/70/08/94/518700894.db2.gz BPZRBYUGHXWXMF-IBGZPJMESA-N 0 3 353.422 2.921 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](N2CCOCC2)CC1 ZINC000576957812 518847788 /nfs/dbraw/zinc/84/77/88/518847788.db2.gz SWCNXSNQQLGBST-QGZVFWFLSA-N 0 3 363.458 2.680 20 5 FFBDHN CC(C)c1n[nH]c(C(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000568143656 518894178 /nfs/dbraw/zinc/89/41/78/518894178.db2.gz DEJUITDPKYNMSY-LJQANCHMSA-N 0 3 371.441 2.836 20 5 FFBDHN CN1CCC(Cc2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)CC1 ZINC000589136694 518926541 /nfs/dbraw/zinc/92/65/41/518926541.db2.gz KBCDAPDJDKYRDH-UHFFFAOYSA-N 0 3 355.398 2.934 20 5 FFBDHN C[C@@H]1CCN(CCNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000568460504 519046498 /nfs/dbraw/zinc/04/64/98/519046498.db2.gz YQIKYJFLWSAMPF-GFCCVEGCSA-N 0 3 360.439 2.790 20 5 FFBDHN COCCCN(C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000589630305 519047399 /nfs/dbraw/zinc/04/73/99/519047399.db2.gz BBHREHYQCAYBEE-OAHLLOKOSA-N 0 3 363.458 2.658 20 5 FFBDHN CC(C)Oc1nc(NC(C)(C)CCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000580465874 519190948 /nfs/dbraw/zinc/19/09/48/519190948.db2.gz ZNOFKKSZDWYBDR-UHFFFAOYSA-N 0 3 365.478 2.605 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](c2ccncc2)C1 ZINC000577884383 519306492 /nfs/dbraw/zinc/30/64/92/519306492.db2.gz KUAKRITWHUVUJO-OAHLLOKOSA-N 0 3 370.409 2.817 20 5 FFBDHN COC(=O)[C@@H]1CCC[C@@H]1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000590751930 519349141 /nfs/dbraw/zinc/34/91/41/519349141.db2.gz AEWAVRLBUQAQNM-NDMJEZRESA-N 0 3 369.805 2.507 20 5 FFBDHN CN(CCOc1ccccc1[N+](=O)[O-])CCn1cc(Br)cn1 ZINC000580797836 519363592 /nfs/dbraw/zinc/36/35/92/519363592.db2.gz QLILSACVLPWKOF-UHFFFAOYSA-N 0 3 369.219 2.565 20 5 FFBDHN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CN1C1CC1 ZINC000583666818 519367036 /nfs/dbraw/zinc/36/70/36/519367036.db2.gz SQXBXSHQHPQYIB-HIFRSBDPSA-N 0 3 358.442 2.868 20 5 FFBDHN Cc1ccc(CC[C@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000575174894 519540436 /nfs/dbraw/zinc/54/04/36/519540436.db2.gz XYMOXRPZWHNORZ-ZDUSSCGKSA-N 0 3 366.439 2.881 20 5 FFBDHN COC(=O)c1cc(C)nc(N(CCN(C)C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000569519111 519589084 /nfs/dbraw/zinc/58/90/84/519589084.db2.gz YINJHRMNGKAAEM-UHFFFAOYSA-N 0 3 372.425 2.653 20 5 FFBDHN Cn1cc(CN[C@]2(Cc3ccc(Cl)cc3)CCCOC2)c([N+](=O)[O-])n1 ZINC000602883242 519948155 /nfs/dbraw/zinc/94/81/55/519948155.db2.gz PYUNLFMCYVPLKW-KRWDZBQOSA-N 0 3 364.833 2.863 20 5 FFBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000594417591 519954137 /nfs/dbraw/zinc/95/41/37/519954137.db2.gz CCRYPJQOOHITKG-QAPCUYQASA-N 0 3 369.425 2.732 20 5 FFBDHN CCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)C1CCN(C)CC1 ZINC000599986513 519985499 /nfs/dbraw/zinc/98/54/99/519985499.db2.gz WCYGDBJMVLZLDP-UHFFFAOYSA-N 0 3 370.247 2.914 20 5 FFBDHN CCN1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC2CC2)CC1 ZINC000597406395 520006307 /nfs/dbraw/zinc/00/63/07/520006307.db2.gz IUTJFHXWPIMPTI-UHFFFAOYSA-N 0 3 370.457 2.795 20 5 FFBDHN Cc1cccc(C)c1OC[C@H](O)CNCCOc1ccc([N+](=O)[O-])cc1 ZINC000591735590 520016037 /nfs/dbraw/zinc/01/60/37/520016037.db2.gz PZYHELRMDGMSKB-QGZVFWFLSA-N 0 3 360.410 2.620 20 5 FFBDHN O=C(CCNC[C@H]1OCCc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000591739538 520017159 /nfs/dbraw/zinc/01/71/59/520017159.db2.gz CLZFRNZNUOCMEC-GOSISDBHSA-N 0 3 355.394 2.827 20 5 FFBDHN CCOc1ccc([C@@H]2C[C@H]2NC[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000591764652 520028094 /nfs/dbraw/zinc/02/80/94/520028094.db2.gz JEVGZXVUWKLXRL-BPQIPLTHSA-N 0 3 372.421 2.879 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CNCCc1noc3ccccc13)OCCO2 ZINC000594955113 520228122 /nfs/dbraw/zinc/22/81/22/520228122.db2.gz OEOJTLUNWSGCLX-UHFFFAOYSA-N 0 3 355.350 2.840 20 5 FFBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000609346503 520289949 /nfs/dbraw/zinc/28/99/49/520289949.db2.gz INJPEQSSEOKAPK-HUUCEWRRSA-N 0 3 371.441 2.773 20 5 FFBDHN CCCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OCC)[C@H]1CCN(C)C1 ZINC000592258741 520295890 /nfs/dbraw/zinc/29/58/90/520295890.db2.gz UHHTWOIJFGNXAP-AWEZNQCLSA-N 0 3 350.419 2.942 20 5 FFBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1NCCc2ccccc21 ZINC000592338176 520340893 /nfs/dbraw/zinc/34/08/93/520340893.db2.gz RLZJMWFXEKIBMC-IBGZPJMESA-N 0 3 368.437 2.790 20 5 FFBDHN C[C@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCCC[C@H]1C ZINC000609547774 520353553 /nfs/dbraw/zinc/35/35/53/520353553.db2.gz JIPGANJFJUELJK-CHWSQXEVSA-N 0 3 372.425 2.841 20 5 FFBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000595233816 520365508 /nfs/dbraw/zinc/36/55/08/520365508.db2.gz BYFXFDQQISYJOY-SFHVURJKSA-N 0 3 370.409 2.920 20 5 FFBDHN CN(C)CCN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CCCC1 ZINC000609583029 520365547 /nfs/dbraw/zinc/36/55/47/520365547.db2.gz GMNYJRDMRPBVFC-UHFFFAOYSA-N 0 3 371.441 2.727 20 5 FFBDHN Cc1c(CC(=O)Nc2ccc([C@H]3CNCCO3)cc2)cccc1[N+](=O)[O-] ZINC000595257400 520375889 /nfs/dbraw/zinc/37/58/89/520375889.db2.gz KCFGVLQDPSQUME-GOSISDBHSA-N 0 3 355.394 2.745 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CC[NH+](C)C)C(C)(C)C)cc1C ZINC000609708727 520412924 /nfs/dbraw/zinc/41/29/24/520412924.db2.gz OQJFFFXGBCAZDY-INIZCTEOSA-N 0 3 371.503 2.856 20 5 FFBDHN COc1cccc([C@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)N(C)C)c1 ZINC000609849599 520457267 /nfs/dbraw/zinc/45/72/67/520457267.db2.gz RBUUOYCVYZMYLE-SFHVURJKSA-N 0 3 367.409 2.683 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](CO)[C@@H](C)c1ccccc1 ZINC000613389708 520478627 /nfs/dbraw/zinc/47/86/27/520478627.db2.gz KUKDYLWBHFPWIJ-KBXCAEBGSA-N 0 3 357.410 2.596 20 5 FFBDHN C[C@H](N[C@@H](CO)[C@@H](C)c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000613388984 520479721 /nfs/dbraw/zinc/47/97/21/520479721.db2.gz AYDMBNKEKICCSL-DEYYWGMASA-N 0 3 357.410 2.676 20 5 FFBDHN C[C@H](c1ccccc1)[C@@H](CO)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000613390192 520480782 /nfs/dbraw/zinc/48/07/82/520480782.db2.gz ZNSCEDMOZMZUJD-QWQRMKEZSA-N 0 3 357.410 2.676 20 5 FFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000610135242 520554585 /nfs/dbraw/zinc/55/45/85/520554585.db2.gz NLQKOJUTGKOLOF-GJZGRUSLSA-N 0 3 369.487 2.705 20 5 FFBDHN CCCN1CC[C@@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000595585876 520570207 /nfs/dbraw/zinc/57/02/07/520570207.db2.gz SGHGPBJNNZCSNQ-CQSZACIVSA-N 0 3 354.838 2.574 20 5 FFBDHN CC[C@H]1CCCCN1CCNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000610197835 520574688 /nfs/dbraw/zinc/57/46/88/520574688.db2.gz ANNYGBSWXJOTBI-AWEZNQCLSA-N 0 3 365.430 2.606 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H]2c2ccc(O)cc2)c1 ZINC000604484457 520574976 /nfs/dbraw/zinc/57/49/76/520574976.db2.gz OXEBWQAPJBAMPL-PKOBYXMFSA-N 0 3 358.394 2.877 20 5 FFBDHN CCCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000592833219 520607994 /nfs/dbraw/zinc/60/79/94/520607994.db2.gz WRSXGMPYCOWGCC-TZMCWYRMSA-N 0 3 369.849 2.958 20 5 FFBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@@H](n1cncn1)C(F)(F)F ZINC000601144376 520658056 /nfs/dbraw/zinc/65/80/56/520658056.db2.gz SSSTZLDWAAGRHX-RKXVYHDYSA-N 0 3 355.320 2.983 20 5 FFBDHN O=[N+]([O-])c1c2cccnc2ccc1N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000610489203 520711430 /nfs/dbraw/zinc/71/14/30/520711430.db2.gz MQMBMGHIOKGNKU-HNNXBMFYSA-N 0 3 356.426 2.834 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000595772414 520713251 /nfs/dbraw/zinc/71/32/51/520713251.db2.gz SNXZNQLEWZDMSO-MAUKXSAKSA-N 0 3 371.441 2.576 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000595774010 520714865 /nfs/dbraw/zinc/71/48/65/520714865.db2.gz ZAZJKSDKZDDWPT-JKSUJKDBSA-N 0 3 371.441 2.576 20 5 FFBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000595789891 520727801 /nfs/dbraw/zinc/72/78/01/520727801.db2.gz YJEBLZHYXCGISE-INIZCTEOSA-N 0 3 362.474 2.899 20 5 FFBDHN O=C(N[C@@H](CN1CCCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000610771974 520837245 /nfs/dbraw/zinc/83/72/45/520837245.db2.gz UTYIPMUVWNZWEX-SFHVURJKSA-N 0 3 354.410 2.947 20 5 FFBDHN COCC1(NCc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CCCCC1 ZINC000596057133 520883185 /nfs/dbraw/zinc/88/31/85/520883185.db2.gz GWOPKIISFPAHRD-UHFFFAOYSA-N 0 3 366.414 2.586 20 5 FFBDHN CO[C@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000596065323 520889989 /nfs/dbraw/zinc/88/99/89/520889989.db2.gz DQXAKZYJBFPZRI-QGZVFWFLSA-N 0 3 370.471 2.553 20 5 FFBDHN NC(=O)c1cc(N[C@@H]2CCCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000596079654 520899385 /nfs/dbraw/zinc/89/93/85/520899385.db2.gz VBXNHWIODBTYRA-MRXNPFEDSA-N 0 3 354.410 2.770 20 5 FFBDHN C[C@@]1(NC(=O)COc2ccc([N+](=O)[O-])cc2)CCN(Cc2ccccc2)C1 ZINC000593342470 520924441 /nfs/dbraw/zinc/92/44/41/520924441.db2.gz PJBOFHMWKGCYMT-HXUWFJFHSA-N 0 3 369.421 2.754 20 5 FFBDHN CN(C)CCN(CCCc1ccccc1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596159168 520943798 /nfs/dbraw/zinc/94/37/98/520943798.db2.gz MRKMFSBWIVUYAZ-UHFFFAOYSA-N 0 3 370.453 2.695 20 5 FFBDHN C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CCN1Cc1ccccc1 ZINC000596236442 520988930 /nfs/dbraw/zinc/98/89/30/520988930.db2.gz VVAVVEVENPRDAN-SUMWQHHRSA-N 0 3 354.410 2.769 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCN(CC2CCOCC2)CC1 ZINC000593462772 521009964 /nfs/dbraw/zinc/00/99/64/521009964.db2.gz ZBOVXPFNACLBSR-UHFFFAOYSA-N 0 3 356.426 2.692 20 5 FFBDHN CN(C)Cc1cccc(NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000601930084 521031778 /nfs/dbraw/zinc/03/17/78/521031778.db2.gz FMELSMJNDAKLRF-UHFFFAOYSA-N 0 3 354.410 2.658 20 5 FFBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(CN2CCC(O)CC2)cc1 ZINC000611197487 521033994 /nfs/dbraw/zinc/03/39/94/521033994.db2.gz HQMOUNHMIQRXOM-UHFFFAOYSA-N 0 3 369.421 2.733 20 5 FFBDHN CN(Cc1ccccc1)C[C@H](O)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000611198205 521034154 /nfs/dbraw/zinc/03/41/54/521034154.db2.gz ZDDMLCAYTMUCNR-FQEVSTJZSA-N 0 3 366.421 2.951 20 5 FFBDHN CC(=O)c1cc(NCc2ccc(CN3CC[C@@H](O)C3)cc2)ccc1[N+](=O)[O-] ZINC000596422592 521062099 /nfs/dbraw/zinc/06/20/99/521062099.db2.gz FVYADGPVTRKTEF-GOSISDBHSA-N 0 3 369.421 2.976 20 5 FFBDHN CC(C)N1CCN([C@@H]2CCN(C/C=C\c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000611276065 521075466 /nfs/dbraw/zinc/07/54/66/521075466.db2.gz JVUMXUPXUYEJOG-SUOMESGTSA-N 0 3 358.486 2.708 20 5 FFBDHN O=[N+]([O-])c1cc(CN[C@H]2CCCS(=O)(=O)CC2)cc(C(F)(F)F)c1 ZINC000602017552 521080358 /nfs/dbraw/zinc/08/03/58/521080358.db2.gz PBKPMWFCJYAKBP-LBPRGKRZSA-N 0 3 366.361 2.671 20 5 FFBDHN CC(C)(C)OC(=O)CCCCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611346644 521110629 /nfs/dbraw/zinc/11/06/29/521110629.db2.gz ADQIFHDGMCHZCH-UHFFFAOYSA-N 0 3 366.414 2.968 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000611370591 521123644 /nfs/dbraw/zinc/12/36/44/521123644.db2.gz KQBZHIMMTBZIEK-HUUCEWRRSA-N 0 3 363.458 2.929 20 5 FFBDHN CN(C)[C@@H]1CCCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599289201 521129120 /nfs/dbraw/zinc/12/91/20/521129120.db2.gz BHRCVAAVEWQXBV-SNVBAGLBSA-N 0 3 356.220 2.524 20 5 FFBDHN CC1(C)Cc2n[nH]cc2CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000596598128 521157658 /nfs/dbraw/zinc/15/76/58/521157658.db2.gz BVJXAICLCWMERS-UHFFFAOYSA-N 0 3 357.414 2.731 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](OC(F)F)C1 ZINC000611579335 521231789 /nfs/dbraw/zinc/23/17/89/521231789.db2.gz VLTRMUIDJJTFAF-GFCCVEGCSA-N 0 3 373.356 2.636 20 5 FFBDHN CN1CCC[C@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000618806530 521246708 /nfs/dbraw/zinc/24/67/08/521246708.db2.gz PUJLJXFMYDPXSR-LBPRGKRZSA-N 0 3 360.336 2.507 20 5 FFBDHN C[C@@H]1C[C@H](N(C)C(=O)c2c(Br)cccc2[N+](=O)[O-])CCN1C ZINC000599567841 521303936 /nfs/dbraw/zinc/30/39/36/521303936.db2.gz POBTVZMUECJYRO-GHMZBOCLSA-N 0 3 370.247 2.912 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCN(C)C3(CCCCC3)C2)c1 ZINC000593998364 521339003 /nfs/dbraw/zinc/33/90/03/521339003.db2.gz YIPUHDFFFMFLGK-UHFFFAOYSA-N 0 3 361.442 2.832 20 5 FFBDHN O=C([N-]c1nc(C2CC[NH2+]CC2)cs1)c1c(F)cccc1[N+](=O)[O-] ZINC000602511579 521388129 /nfs/dbraw/zinc/38/81/29/521388129.db2.gz OWWYMPVBLUUVLR-UHFFFAOYSA-N 0 3 350.375 2.910 20 5 FFBDHN COC[C@@H](C)N(CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCc2ccccc21 ZINC000599682856 521397265 /nfs/dbraw/zinc/39/72/65/521397265.db2.gz MHUKSMGVPWCPIY-BEFAXECRSA-N 0 3 371.437 2.781 20 5 FFBDHN O=[N+]([O-])c1sc(CNCCCO[C@@H]2CCOC2)cc1Br ZINC000602566491 521413621 /nfs/dbraw/zinc/41/36/21/521413621.db2.gz DONRXSZYRMTNAX-SECBINFHSA-N 0 3 365.249 2.704 20 5 FFBDHN COc1ccc(CNC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(F)c1 ZINC000602567784 521415072 /nfs/dbraw/zinc/41/50/72/521415072.db2.gz JUALOZVLCYVACZ-UHFFFAOYSA-N 0 3 360.389 2.896 20 5 FFBDHN Cc1cccc2[nH]c(CNC3CCN(c4ccc([N+](=O)[O-])nc4)CC3)nc21 ZINC000602579824 521421945 /nfs/dbraw/zinc/42/19/45/521421945.db2.gz KTAFLJDUCFXIAW-UHFFFAOYSA-N 0 3 366.425 2.933 20 5 FFBDHN Cc1cccc2nc(CNC3CCN(c4ccc([N+](=O)[O-])nc4)CC3)[nH]c21 ZINC000602579824 521421954 /nfs/dbraw/zinc/42/19/54/521421954.db2.gz KTAFLJDUCFXIAW-UHFFFAOYSA-N 0 3 366.425 2.933 20 5 FFBDHN CC(C)Cn1ccnc1CNC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602594001 521429592 /nfs/dbraw/zinc/42/95/92/521429592.db2.gz NWMBINCTHHXHKW-UHFFFAOYSA-N 0 3 358.446 2.601 20 5 FFBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC1CCN([C@@H]2CCOC2)CC1 ZINC000602717881 521493357 /nfs/dbraw/zinc/49/33/57/521493357.db2.gz JPIOXBWLOMFLQG-OAHLLOKOSA-N 0 3 373.375 2.957 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000602787752 521533096 /nfs/dbraw/zinc/53/30/96/521533096.db2.gz JKRVIMIMDXYLKZ-UHFFFAOYSA-N 0 3 363.506 2.932 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H]1Cn1c(C)nc2ccccc21 ZINC000602795361 521537897 /nfs/dbraw/zinc/53/78/97/521537897.db2.gz MOSONJVRTASLOL-MRXNPFEDSA-N 0 3 368.441 2.922 20 5 FFBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](Cn3cnc4ccccc43)C2)n1 ZINC000602816382 521549157 /nfs/dbraw/zinc/54/91/57/521549157.db2.gz ILXQACFPIVQTST-OAHLLOKOSA-N 0 3 354.414 2.553 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000602826204 521554928 /nfs/dbraw/zinc/55/49/28/521554928.db2.gz MYGLKDFFLBHNMZ-HNNXBMFYSA-N 0 3 358.446 2.512 20 5 FFBDHN COC(=O)[C@H]1C[C@@H](NCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000597217235 521580671 /nfs/dbraw/zinc/58/06/71/521580671.db2.gz AWQDNFQZWJPETI-TXEJJXNPSA-N 0 3 360.366 2.905 20 5 FFBDHN Nc1cc(NC[C@H](c2cccs2)N2CCCC2)cc(CO)c1[N+](=O)[O-] ZINC000619570088 521773848 /nfs/dbraw/zinc/77/38/48/521773848.db2.gz KENLQFZBRCSCCW-OAHLLOKOSA-N 0 3 362.455 2.980 20 5 FFBDHN C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824600200 609150553 /nfs/dbraw/zinc/15/05/53/609150553.db2.gz XTIQGRBEACPCBO-LLVKDONJSA-N 0 3 372.360 2.644 20 5 FFBDHN C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824607500 609333519 /nfs/dbraw/zinc/33/35/19/609333519.db2.gz ZFWAAMUZVQFDPJ-NSHDSACASA-N 0 3 356.361 2.807 20 5 FFBDHN C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824607500 609333520 /nfs/dbraw/zinc/33/35/20/609333520.db2.gz ZFWAAMUZVQFDPJ-NSHDSACASA-N 0 3 356.361 2.807 20 5 FFBDHN O=[N+]([O-])c1cc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)nc2[nH]ccc21 ZINC001164732940 720413526 /nfs/dbraw/zinc/41/35/26/720413526.db2.gz OWDBUASTGOEGRH-CVEARBPZSA-N 0 3 364.409 2.719 20 5 FFBDHN O=C(NCCN1CCCCC1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000155149072 728821275 /nfs/dbraw/zinc/82/12/75/728821275.db2.gz KHDXQOROPBTJNC-UHFFFAOYSA-N 0 3 371.235 2.965 20 5 FFBDHN COCCO[C@]12CCC[C@@]1(NCc1cccc([N+](=O)[O-])c1C)CCO2 ZINC000897997490 735301800 /nfs/dbraw/zinc/30/18/00/735301800.db2.gz DVPFLUKEHNGLRU-QZTJIDSGSA-N 0 3 350.415 2.695 20 5 FFBDHN CO[C@H]1CN(C)[C@](C)(COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000861345979 730602033 /nfs/dbraw/zinc/60/20/33/730602033.db2.gz BXUMUVXWNGKSAY-QAPCUYQASA-N 0 3 350.415 2.525 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000873130043 731878531 /nfs/dbraw/zinc/87/85/31/731878531.db2.gz YFNRYZGEYZBUAR-CQSZACIVSA-N 0 3 360.435 2.872 20 5 FFBDHN CC(C)[C@@H](NCc1cn(C)nc1[N+](=O)[O-])[C@H](O)c1ccc(Cl)cc1 ZINC000878996901 732629035 /nfs/dbraw/zinc/62/90/35/732629035.db2.gz QCLKHAOSOBJGFF-HUUCEWRRSA-N 0 3 352.822 2.830 20 5 FFBDHN O=C(CN[C@@H]1CCC[C@]12CCCO2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000880505740 732915641 /nfs/dbraw/zinc/91/56/41/732915641.db2.gz DSUOVGSQPXGKCU-ZBFHGGJFSA-N 0 3 353.806 2.878 20 5 FFBDHN CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)CCC1(C)C ZINC000881388931 733047706 /nfs/dbraw/zinc/04/77/06/733047706.db2.gz SWYJWGXILIGHAL-UHFFFAOYSA-N 0 3 370.247 2.914 20 5 FFBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000881466476 733058472 /nfs/dbraw/zinc/05/84/72/733058472.db2.gz XIRIIRASFGQBJF-RYUDHWBXSA-N 0 3 368.231 2.666 20 5 FFBDHN COc1ccc(CNC[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)cc1[N+](=O)[O-] ZINC000886340332 733775803 /nfs/dbraw/zinc/77/58/03/733775803.db2.gz FJZPPDNNKNFZBU-SCGCMHLBSA-N 0 3 350.415 2.666 20 5 FFBDHN C[C@@]1(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CN2CCC1CC2 ZINC000892768584 734601501 /nfs/dbraw/zinc/60/15/01/734601501.db2.gz KQFIYAVKAUEJEU-MRXNPFEDSA-N 0 3 355.797 2.530 20 5 FFBDHN COc1c([O-])ccc(C[NH2+]CC[C@H]2CC[C@H](C(F)(F)F)O2)c1[N+](=O)[O-] ZINC000896810520 735184387 /nfs/dbraw/zinc/18/43/87/735184387.db2.gz VWBPGUSJUGRXDG-ZYHUDNBSSA-N 0 3 364.320 2.899 20 5 FFBDHN O=[N+]([O-])c1c(N2CC[C@@H]3[C@@H]2CCCN3CCO)cccc1C(F)(F)F ZINC000897216013 735207148 /nfs/dbraw/zinc/20/71/48/735207148.db2.gz GRBYLLJFFFBNES-OLZOCXBDSA-N 0 3 359.348 2.649 20 5 FFBDHN C[C@H](OC(=O)C1CC[C@H](C(F)(F)F)NC1=O)c1ccccc1[N+](=O)[O-] ZINC000764597021 737033714 /nfs/dbraw/zinc/03/37/14/737033714.db2.gz KWHFVYPOTOZOSQ-MKPLZMMCSA-N 0 3 360.288 2.656 20 5 FFBDHN CCN1C[C@@H](C)N(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000766253168 737212646 /nfs/dbraw/zinc/21/26/46/737212646.db2.gz JATYXDAGLZYRPN-NWDGAFQWSA-N 0 3 354.838 2.601 20 5 FFBDHN CCOc1ccc([C@H](C)N[C@H]2CCCN(C(=O)OC)C2)cc1[N+](=O)[O-] ZINC000768100921 737397632 /nfs/dbraw/zinc/39/76/32/737397632.db2.gz GCCFGXFNHAXKBF-JSGCOSHPSA-N 0 3 351.403 2.875 20 5 FFBDHN COc1cc(CNC[C@H]2CCC[C@H](C(F)(F)F)O2)c([N+](=O)[O-])cc1O ZINC000922694178 738186917 /nfs/dbraw/zinc/18/69/17/738186917.db2.gz KCPLPIMIMONTAI-QMTHXVAHSA-N 0 3 364.320 2.899 20 5 FFBDHN COC(=O)C(C)(C)[C@@H]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776597751 738212823 /nfs/dbraw/zinc/21/28/23/738212823.db2.gz MECYMXMUXMJSMG-GDBMZVCRSA-N 0 3 350.415 2.539 20 5 FFBDHN CCOC(=O)C1([C@H](C)NCc2cc(F)ccc2[N+](=O)[O-])CCOCC1 ZINC000933886928 739701451 /nfs/dbraw/zinc/70/14/51/739701451.db2.gz RJRHUBFQKHZPMS-LBPRGKRZSA-N 0 3 354.378 2.572 20 5 FFBDHN Cc1cc(Cl)c(S(=O)(=O)N[C@H](C)CN(C)C(C)C)cc1[N+](=O)[O-] ZINC000810091278 741384915 /nfs/dbraw/zinc/38/49/15/741384915.db2.gz NOPTVYKFHHFZRM-LLVKDONJSA-N 0 3 363.867 2.564 20 5 FFBDHN CC(COC(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1)[N+](=O)[O-] ZINC000813102186 741676980 /nfs/dbraw/zinc/67/69/80/741676980.db2.gz OSYYMZOZFUOOAG-WDEREUQCSA-N 0 3 361.320 2.525 20 5 FFBDHN CC(COC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)[N+](=O)[O-] ZINC000813106456 741677430 /nfs/dbraw/zinc/67/74/30/741677430.db2.gz CKISERXSDYKJBD-TZMCWYRMSA-N 0 3 352.387 2.851 20 5 FFBDHN CC(COC(=O)C[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)[N+](=O)[O-] ZINC000813112876 741678503 /nfs/dbraw/zinc/67/85/03/741678503.db2.gz VMQFPFVXANYVFI-CHWSQXEVSA-N 0 3 358.435 2.868 20 5 FFBDHN CC(COC(=O)c1cc(Cl)ccc1I)[N+](=O)[O-] ZINC000813113399 741678922 /nfs/dbraw/zinc/67/89/22/741678922.db2.gz DCBSQIZELZUDQU-LURJTMIESA-N 0 3 369.542 2.767 20 5 FFBDHN CC([C@H](OC(=O)c1cc([N+](=O)[O-])cn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845875403 748341644 /nfs/dbraw/zinc/34/16/44/748341644.db2.gz MBISPHWFFWVYCI-XPTSAGLGSA-N 0 3 351.290 2.636 20 5 FFBDHN C[C@H]1COCCN1C1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000846911860 748572977 /nfs/dbraw/zinc/57/29/77/748572977.db2.gz KQICBBFSUSRONK-ZDUSSCGKSA-N 0 3 353.850 2.933 20 5 FFBDHN O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c1 ZINC000850395124 749358790 /nfs/dbraw/zinc/35/87/90/749358790.db2.gz AWYWMXLJEJVBRB-IAGOWNOFSA-N 0 3 365.861 2.981 20 5 FFBDHN CC(COC(=O)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)[N+](=O)[O-] ZINC000851036589 749490895 /nfs/dbraw/zinc/49/08/95/749490895.db2.gz KREVFACDBTUIJE-JTQLQIEISA-N 0 3 370.427 2.863 20 5 FFBDHN O=[N+]([O-])c1cc2c(nc1NC1CCN(C[C@@H]3CCCO3)CC1)CCCC2 ZINC000825583037 1013142556 /nfs/dbraw/zinc/14/25/56/1013142556.db2.gz JHTNCFPZQICJKK-INIZCTEOSA-N 0 3 360.458 2.924 20 5 FFBDHN Cc1ccc(CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000825655095 1013368217 /nfs/dbraw/zinc/36/82/17/1013368217.db2.gz IDLFYHWTNAZEEN-SFHVURJKSA-N 0 3 368.437 2.827 20 5 FFBDHN CN(C)C(=O)OC[C@@H]1CCCCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000796548640 1014261522 /nfs/dbraw/zinc/26/15/22/1014261522.db2.gz BTQYBPXPQICZAG-INIZCTEOSA-N 0 3 365.430 2.916 20 5 FFBDHN C[C@@H](NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1nnc2ccccn21 ZINC000764723605 984662960 /nfs/dbraw/zinc/66/29/60/984662960.db2.gz QWPFIQXUIXCDTD-CQSZACIVSA-N 0 3 366.425 2.957 20 5 FFBDHN COc1ccc2c(c1)nccc2N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000765467996 985103565 /nfs/dbraw/zinc/10/35/65/985103565.db2.gz LJOMUUUDBMSDKP-UHFFFAOYSA-N 0 3 365.393 2.873 20 5 FFBDHN Cc1cc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)c(N)c([N+](=O)[O-])c1 ZINC000843828884 988436878 /nfs/dbraw/zinc/43/68/78/988436878.db2.gz WNMOYXQIFUNMSB-INIZCTEOSA-N 0 3 368.437 2.832 20 5 FFBDHN COc1cccc(C(=O)N(Cc2ccco2)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000193944556 989110099 /nfs/dbraw/zinc/11/00/99/989110099.db2.gz JTHBCZNCCWFAJF-UHFFFAOYSA-N 0 3 373.409 2.933 20 5 FFBDHN CN(CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)Cc1ccccc1 ZINC000194628726 990384905 /nfs/dbraw/zinc/38/49/05/990384905.db2.gz PDTLEPDXVIEYST-UHFFFAOYSA-N 0 3 352.394 2.938 20 5 FFBDHN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000711061125 990665036 /nfs/dbraw/zinc/66/50/36/990665036.db2.gz RJMUJDYOGZEVDA-CJNGLKHVSA-N 0 3 365.430 2.709 20 5 FFBDHN CC(COC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1)[N+](=O)[O-] ZINC000813107423 995624085 /nfs/dbraw/zinc/62/40/85/995624085.db2.gz NEELPQIIBCEBAZ-GDBMZVCRSA-N 0 3 370.405 2.900 20 5 FFBDHN CC(COC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813113462 995625679 /nfs/dbraw/zinc/62/56/79/995625679.db2.gz QEZSJVADDSBJBH-XQQFMLRXSA-N 0 3 365.386 2.899 20 5 FFBDHN Nc1ccc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000823987330 996773176 /nfs/dbraw/zinc/77/31/76/996773176.db2.gz PWZKBVFOEMQMQE-INIZCTEOSA-N 0 3 369.425 2.963 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000824827939 997118526 /nfs/dbraw/zinc/11/85/26/997118526.db2.gz JUAUQOQEVCDOIO-ZIAGYGMSSA-N 0 3 371.359 2.746 20 5 FFBDHN Cc1c(CO)cc([N+](=O)[O-])c(NCCN2[C@H](C)CCC[C@H]2C)c1[N+](=O)[O-] ZINC000730806518 997496978 /nfs/dbraw/zinc/49/69/78/997496978.db2.gz RDVQPZQPDLZCMC-VXGBXAGGSA-N 0 3 366.418 2.979 20 5 FFBDHN CC(C)CN1C[C@H](C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])CC1=O ZINC000845877472 998677705 /nfs/dbraw/zinc/67/77/05/998677705.db2.gz RXWXLVQIJOJMEW-XNJGSVPQSA-N 0 3 366.389 2.580 20 5 FFBDHN CC([C@H](OC(=O)CO[C@@H](C)c1nccn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845884100 998678424 /nfs/dbraw/zinc/67/84/24/998678424.db2.gz XKTZAVMGCQIBGG-MKBNYLNASA-N 0 3 365.361 2.587 20 5 FFBDHN CN(CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745943343 999938062 /nfs/dbraw/zinc/93/80/62/999938062.db2.gz BKAQEOJSPKZDSW-OAHLLOKOSA-N 0 3 365.430 2.915 20 5 FFBDHN CCn1c2ccccc2nc1N1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169055341 1000019038 /nfs/dbraw/zinc/01/90/38/1000019038.db2.gz PSLBVGOXRRPZHC-CVEARBPZSA-N 0 3 357.458 2.624 20 5 FFBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1 ZINC001169055349 1000019054 /nfs/dbraw/zinc/01/90/54/1000019054.db2.gz PUZAPOFJTCEDEB-APWZRJJASA-N 0 3 367.453 2.711 20 5 FFBDHN O=C(NCC1=CCN(Cc2cccc(C(F)F)c2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000673125 1016420939 /nfs/dbraw/zinc/42/09/39/1016420939.db2.gz FCVIUOTUWILXSO-HZPDHXFCSA-N 0 3 365.380 2.538 20 5 FFBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1cccc2c1OCCO2 ZINC000772982562 1000914510 /nfs/dbraw/zinc/91/45/10/1000914510.db2.gz JPOBRSUPWVKNCQ-ZDUSSCGKSA-N 0 3 371.393 2.873 20 5 FFBDHN CCOC(=O)c1cc([N+](=O)[O-])c(NC2CCN(CCOC)CC2)cc1C ZINC001185035194 1002791778 /nfs/dbraw/zinc/79/17/78/1002791778.db2.gz FIWSULVCWZQOGB-UHFFFAOYSA-N 0 3 365.430 2.603 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)n1 ZINC001130613517 1004304402 /nfs/dbraw/zinc/30/44/02/1004304402.db2.gz DEJTUBGRKUMOKS-IBGZPJMESA-N 0 3 354.410 2.693 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](c2ncccn2)C1 ZINC001197864853 1004405345 /nfs/dbraw/zinc/40/53/45/1004405345.db2.gz QJEPOJMSHQQOCB-OAHLLOKOSA-N 0 3 369.425 2.901 20 5 FFBDHN CCOC(=O)C1=C(Nc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCNC1 ZINC001170516835 1004498198 /nfs/dbraw/zinc/49/81/98/1004498198.db2.gz HEPSQNTVHHELAB-UHFFFAOYSA-N 0 3 359.304 2.836 20 5 FFBDHN CC[C@@]1(C(=O)OC(C)(C)C)CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC001198310473 1004588138 /nfs/dbraw/zinc/58/81/38/1004588138.db2.gz QPXMPLACSPNXNL-GOSISDBHSA-N 0 3 366.462 2.934 20 5 FFBDHN O=[N+]([O-])c1ccccc1CN(C[C@H](O)c1ccccn1)[C@H]1CC[C@H](O)CC1 ZINC000852204642 1005950886 /nfs/dbraw/zinc/95/08/86/1005950886.db2.gz QBDSIBDMHSTQQR-ZWOKBUDYSA-N 0 3 371.437 2.829 20 5 FFBDHN CC(=O)c1c([N+](=O)[O-])cccc1N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000882182868 1006313838 /nfs/dbraw/zinc/31/38/38/1006313838.db2.gz OELZFESMZSYYCC-UHFFFAOYSA-N 0 3 374.485 2.651 20 5 FFBDHN Cc1ccc(CN2CC[C@H](NC(=O)Cc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC001152413011 1032162902 /nfs/dbraw/zinc/16/29/02/1032162902.db2.gz WCTKURGVCNEBHT-SFHVURJKSA-N 0 3 353.422 2.836 20 5 FFBDHN CN1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000854334344 1006782411 /nfs/dbraw/zinc/78/24/11/1006782411.db2.gz HFFHVRYLQCBNAI-INIZCTEOSA-N 0 3 371.522 2.542 20 5 FFBDHN CC[C@@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000113197509 1007220810 /nfs/dbraw/zinc/22/08/10/1007220810.db2.gz VKLBHTUFMXMMOI-CYBMUJFWSA-N 0 3 364.402 2.806 20 5 FFBDHN CCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)[C@@H]1CCN(CC)C1 ZINC000855490184 1007366510 /nfs/dbraw/zinc/36/65/10/1007366510.db2.gz FBDQIAJPNOWEAZ-CYBMUJFWSA-N 0 3 364.402 2.676 20 5 FFBDHN COCCOc1cc(C)ccc1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819146793 1008043291 /nfs/dbraw/zinc/04/32/91/1008043291.db2.gz LDWSBZZXKTVPLW-GOSISDBHSA-N 0 3 360.410 2.752 20 5 FFBDHN Cc1cc(N2CCN(C)CC2)ccc1NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819398510 1008116831 /nfs/dbraw/zinc/11/68/31/1008116831.db2.gz TYALVTNFNKRTPX-FQEVSTJZSA-N 0 3 370.453 2.801 20 5 FFBDHN Cc1c(CN2[C@@H]3CC[C@H]2C[C@](O)(c2ccnn2C)C3)cccc1[N+](=O)[O-] ZINC000887049987 1008997190 /nfs/dbraw/zinc/99/71/90/1008997190.db2.gz WFADZOZWLBWVDY-MNZLEMJZSA-N 0 3 356.426 2.651 20 5 FFBDHN O=C1NCc2ccccc2[C@@H]1N[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912748 1012125423 /nfs/dbraw/zinc/12/54/23/1012125423.db2.gz OZFMVFZKWMMNLV-LPHOPBHVSA-N 0 3 351.406 2.803 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)n2c(=N)sc3c2CCNC3)c1F ZINC001173195257 1012336902 /nfs/dbraw/zinc/33/69/02/1012336902.db2.gz DNEMFHNQAARPJC-VIFPVBQESA-N 0 3 366.418 2.534 20 5 FFBDHN CC([C@H](OC(=O)c1cccn(C2CC2)c1=O)c1ccccc1F)[N+](=O)[O-] ZINC000870453974 1012388354 /nfs/dbraw/zinc/38/83/54/1012388354.db2.gz HBKRBDHBVXDENE-BZNIZROVSA-N 0 3 360.341 2.886 20 5 FFBDHN CCO[C@H](C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-])C1CCOCC1 ZINC000870454559 1012390475 /nfs/dbraw/zinc/39/04/75/1012390475.db2.gz MIHGAABVIDIWBT-ZLIFDBKOSA-N 0 3 369.389 2.907 20 5 FFBDHN C[C@H](c1ccccc1)[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000827309962 1017569161 /nfs/dbraw/zinc/56/91/61/1017569161.db2.gz IRSNTAZPTHLXFA-UZLBHIALSA-N 0 3 355.438 2.881 20 5 FFBDHN COc1cc(O[C@@H]2CCCC[NH2+]C2)c2c(c1)oc1c([O-])ccc(O)c1c2=O ZINC001217970723 1032924845 /nfs/dbraw/zinc/92/48/45/1032924845.db2.gz HTGJDAXYJVCHEB-LLVKDONJSA-N 0 3 371.389 2.887 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000155241342 1022230417 /nfs/dbraw/zinc/23/04/17/1022230417.db2.gz JQZPADGHZCPBKF-OAHLLOKOSA-N 0 3 368.437 2.914 20 5 FFBDHN COc1cc(O[C@@H]2CC[C@H](C)[NH2+]C2)c2c(c1)oc1c([O-])ccc(O)c1c2=O ZINC001218399088 1033138369 /nfs/dbraw/zinc/13/83/69/1033138369.db2.gz NQJGJBMFGWZXDU-WDEREUQCSA-N 0 3 371.389 2.885 20 5 FFBDHN COc1cc(NC2CCN(Cc3ccc(O)cc3)CC2)ncc1[N+](=O)[O-] ZINC001161131453 1028027399 /nfs/dbraw/zinc/02/73/99/1028027399.db2.gz MDMWZOKXKGKLAK-UHFFFAOYSA-N 0 3 358.398 2.781 20 5 FFBDHN C[C@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000780763776 1028799754 /nfs/dbraw/zinc/79/97/54/1028799754.db2.gz OETHTRVLMBGZPI-QAPCUYQASA-N 0 3 357.458 2.882 20 5 FFBDHN COc1nc(N(C)[C@@H]2CN(Cc3ccccc3)CC[C@@H]2C)ncc1[N+](=O)[O-] ZINC001165184601 1029440302 /nfs/dbraw/zinc/44/03/02/1029440302.db2.gz XQFHDLZIBPQBPZ-WMLDXEAASA-N 0 3 371.441 2.740 20 5 FFBDHN C[C@@]1(CO)C[C@@H](O)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000888092491 1029618277 /nfs/dbraw/zinc/61/82/77/1029618277.db2.gz XFOCXZYYRGKCKJ-PXAZEXFGSA-N 0 3 366.801 2.826 20 5 FFBDHN CC(COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21)[N+](=O)[O-] ZINC000842801342 1030964569 /nfs/dbraw/zinc/96/45/69/1030964569.db2.gz HMQXZLUICOFQQD-IUODEOHRSA-N 0 3 364.398 2.729 20 5 FFBDHN COc1cc(Cc2noc([C@@H]3CNCc4ccccc43)n2)ccc1[N+](=O)[O-] ZINC000843192707 1031234886 /nfs/dbraw/zinc/23/48/86/1031234886.db2.gz XQDFVXMJDHUXIE-OAHLLOKOSA-N 0 3 366.377 2.812 20 5 FFBDHN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1Oc1ccc([N+](=O)[O-])cc1C(N)=O ZINC001226165513 1034554454 /nfs/dbraw/zinc/55/44/54/1034554454.db2.gz LLWMESBQOZWIPA-AUUYWEPGSA-N 0 3 369.421 2.983 20 5 FFBDHN COC(=O)Cc1ccc(O[C@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001226215510 1034575219 /nfs/dbraw/zinc/57/52/19/1034575219.db2.gz XRSGHOSTUWNUGI-KRWDZBQOSA-N 0 3 370.405 2.964 20 5 FFBDHN CCN1CC[C@@H](Oc2ccc(I)c([N+](=O)[O-])c2)C1 ZINC001229952178 1036995249 /nfs/dbraw/zinc/99/52/49/1036995249.db2.gz XHMLLLRECDDGPP-SNVBAGLBSA-N 0 3 362.167 2.672 20 5 FFBDHN CCOc1cc(NC(=O)NCCN2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC001207121741 1037168498 /nfs/dbraw/zinc/16/84/98/1037168498.db2.gz METDGAHFXLHBEQ-UHFFFAOYSA-N 0 3 350.419 2.847 20 5 FFBDHN Cc1cncc([N+](=O)[O-])c1N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC001258055185 1039146009 /nfs/dbraw/zinc/14/60/09/1039146009.db2.gz HHTOALNKRDRPDH-UHFFFAOYSA-N 0 3 369.469 2.552 20 5 FFBDHN COc1ccnc(O[C@@H]2CCCN([C@H](C)Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC001254567329 1040805992 /nfs/dbraw/zinc/80/59/92/1040805992.db2.gz BPDGQZPBHQOSIN-GDBMZVCRSA-N 0 3 372.425 2.868 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](NCc1cc(OC3CCOCC3)ccn1)C2 ZINC001254587339 1040818023 /nfs/dbraw/zinc/81/80/23/1040818023.db2.gz PIESJCPMMUIDRC-INIZCTEOSA-N 0 3 369.421 2.805 20 5 FFBDHN COc1cccnc1O[C@@H]1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254611008 1040838970 /nfs/dbraw/zinc/83/89/70/1040838970.db2.gz NVCCHTVFNWVVKD-DLBZAZTESA-N 0 3 355.394 2.619 20 5 FFBDHN C[C@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1CN(C)CCN1C ZINC001308949276 1052525105 /nfs/dbraw/zinc/52/51/05/1052525105.db2.gz XPOVVTKPVNKLNI-IINYFYTJSA-N 0 3 361.273 2.626 20 5 FFBDHN Cc1ccc(S(=O)(=O)N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001309282175 1052590824 /nfs/dbraw/zinc/59/08/24/1052590824.db2.gz GNOFPCSTKQAUKZ-UMVBOHGHSA-N 0 3 369.487 2.548 20 5 FFBDHN CCn1c([C@@H]2CCCN(C)C2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001352660040 1055692089 /nfs/dbraw/zinc/69/20/89/1055692089.db2.gz BOIAKXXDGXTOBP-OAHLLOKOSA-N 0 3 358.446 2.652 20 5 FFBDHN Cn1c([C@H]2CCCN(C)C2)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001351229309 1056145117 /nfs/dbraw/zinc/14/51/17/1056145117.db2.gz YHPTWPGYBBGTFI-HNNXBMFYSA-N 0 3 370.457 2.702 20 5 FFBDHN CN(C)Cc1ccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c(F)c1 ZINC001451387237 1059108752 /nfs/dbraw/zinc/10/87/52/1059108752.db2.gz SVTAXOLHCCVTIZ-UHFFFAOYSA-N 0 3 361.329 2.777 20 5 FFBDHN Cc1c(CO)cc([N+](=O)[O-])c(N[C@H]2CCCN3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000848783914 1060689700 /nfs/dbraw/zinc/68/97/00/1060689700.db2.gz GKAJAKWLSTVLHX-UONOGXRCSA-N 0 3 364.402 2.733 20 5 FFBDHN CO[C@@H](Cc1ccccc1)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001459312504 1060745949 /nfs/dbraw/zinc/74/59/49/1060745949.db2.gz LCWDAQSCIKDNQN-FQEVSTJZSA-N 0 3 355.438 2.975 20 5 FFBDHN COc1cc(CNC[C@@H](C)Oc2ccccc2OC)c([N+](=O)[O-])cc1O ZINC001461253296 1061268313 /nfs/dbraw/zinc/26/83/13/1061268313.db2.gz DQDFYCIGHCKAJV-GFCCVEGCSA-N 0 3 362.382 2.875 20 5 FFBDHN COc1c(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)cccc1[N+](=O)[O-] ZINC001579135173 1078573108 /nfs/dbraw/zinc/57/31/08/1078573108.db2.gz SWWSQHGZBVGLBK-INIZCTEOSA-N 0 3 357.366 2.517 20 5 FFBDHN CSc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1-c1nnn[n-]1 ZINC001580233261 1078770728 /nfs/dbraw/zinc/77/07/28/1078770728.db2.gz KNVGSQDBXXRIJQ-UHFFFAOYSA-N 0 3 370.438 2.829 20 5 FFBDHN CSc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1-c1nn[n-]n1 ZINC001580233261 1078770732 /nfs/dbraw/zinc/77/07/32/1078770732.db2.gz KNVGSQDBXXRIJQ-UHFFFAOYSA-N 0 3 370.438 2.829 20 5 FFBDHN O=C(NC[C@H]1NCCc2ccccc21)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC001580672576 1078845775 /nfs/dbraw/zinc/84/57/75/1078845775.db2.gz GZQSIVISUIPYDG-MRXNPFEDSA-N 0 3 350.378 2.693 20 5 FFBDHN CCOc1cc(NC(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC001563011514 1075096157 /nfs/dbraw/zinc/09/61/57/1075096157.db2.gz FRIVKVUUNWZTAX-ZFWWWQNUSA-N 0 3 368.459 2.503 20 5 FFBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC001562587474 1076505684 /nfs/dbraw/zinc/50/56/84/1076505684.db2.gz GDGPNEHVTAUEHQ-CXAGYDPISA-N 0 3 357.414 2.533 20 5 FFBDHN Cc1cc(OCC(=O)N2CCN(C)C3(CCCCC3)C2)ccc1[N+](=O)[O-] ZINC001569328252 1077139660 /nfs/dbraw/zinc/13/96/60/1077139660.db2.gz JIBXABUGOCGGQJ-UHFFFAOYSA-N 0 3 361.442 2.759 20 5 FFBDHN C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589899445 1080847421 /nfs/dbraw/zinc/84/74/21/1080847421.db2.gz IYOBSNBQIOBGMG-LBPRGKRZSA-N 0 3 368.397 2.544 20 5 FFBDHN C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589899445 1080847425 /nfs/dbraw/zinc/84/74/25/1080847425.db2.gz IYOBSNBQIOBGMG-LBPRGKRZSA-N 0 3 368.397 2.544 20 5 FFBDHN C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589899445 1080847428 /nfs/dbraw/zinc/84/74/28/1080847428.db2.gz IYOBSNBQIOBGMG-LBPRGKRZSA-N 0 3 368.397 2.544 20 5 FFBDHN C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589899445 1080847431 /nfs/dbraw/zinc/84/74/31/1080847431.db2.gz IYOBSNBQIOBGMG-LBPRGKRZSA-N 0 3 368.397 2.544 20 5 FFBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1Cl ZINC000097454443 250064912 /nfs/dbraw/zinc/06/49/12/250064912.db2.gz ZZLXRRCHYIRZMB-JOYOIKCWSA-N 0 3 359.213 2.810 20 5 FFBDHN CN(C)C1(CNC(=O)c2cccc([N+](=O)[O-])c2Br)CCC1 ZINC000097929925 250068712 /nfs/dbraw/zinc/06/87/12/250068712.db2.gz GPGANMSRXGNQNB-UHFFFAOYSA-N 0 3 356.220 2.571 20 5 FFBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CCN(Cc2ccccc2)CC1 ZINC000013779910 211059971 /nfs/dbraw/zinc/05/99/71/211059971.db2.gz FASBWGGVZQWAOC-UHFFFAOYSA-N 0 3 353.422 2.918 20 5 FFBDHN C[C@H]1SCCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000118419497 250385114 /nfs/dbraw/zinc/38/51/14/250385114.db2.gz BQEWRORZHSFFTD-NWDGAFQWSA-N 0 3 351.428 2.719 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@H](N4CCCCC4)C3)n2)c1 ZINC000264627266 251328053 /nfs/dbraw/zinc/32/80/53/251328053.db2.gz SUHKSVKEXPQVIN-INIZCTEOSA-N 0 3 357.414 2.705 20 5 FFBDHN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@@H](N2CCCCC2)C1 ZINC000272402680 252029147 /nfs/dbraw/zinc/02/91/47/252029147.db2.gz YDBFQPPKEDUIHQ-CYBMUJFWSA-N 0 3 369.368 2.897 20 5 FFBDHN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@H](N2CCCCC2)C1 ZINC000272402683 252029874 /nfs/dbraw/zinc/02/98/74/252029874.db2.gz YDBFQPPKEDUIHQ-ZDUSSCGKSA-N 0 3 369.368 2.897 20 5 FFBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272569938 252071312 /nfs/dbraw/zinc/07/13/12/252071312.db2.gz TULDXKIZZVSERX-SWLSCSKDSA-N 0 3 368.865 2.772 20 5 FFBDHN COc1cc(CNCCc2ccccn2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272499916 252053051 /nfs/dbraw/zinc/05/30/51/252053051.db2.gz VMPJNABHIJTEOG-UHFFFAOYSA-N 0 3 367.352 2.975 20 5 FFBDHN COc1cccc(C2(NC[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000273158051 252234240 /nfs/dbraw/zinc/23/42/40/252234240.db2.gz MZOJBJCDTWOYPX-OAHLLOKOSA-N 0 3 358.394 2.622 20 5 FFBDHN COCC[C@@H](NCCOc1ccc(OC)cc1[N+](=O)[O-])c1ccco1 ZINC000273313424 252279943 /nfs/dbraw/zinc/27/99/43/252279943.db2.gz UYMDMBYRMNRSGP-CQSZACIVSA-N 0 3 350.371 2.943 20 5 FFBDHN C[C@H](CCc1ccco1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273486596 252314864 /nfs/dbraw/zinc/31/48/64/252314864.db2.gz VTLMEEMGKSVFML-CYBMUJFWSA-N 0 3 352.412 2.572 20 5 FFBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000285731619 257001749 /nfs/dbraw/zinc/00/17/49/257001749.db2.gz XOSMOBABGLRCCN-TZMCWYRMSA-N 0 3 366.849 2.745 20 5 FFBDHN CC(C)CN1CCC(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000276042813 256067616 /nfs/dbraw/zinc/06/76/16/256067616.db2.gz GUPPKTFMCZAINB-UHFFFAOYSA-N 0 3 355.460 2.531 20 5 FFBDHN CC1(C)[C@H](C(F)(F)F)CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000276321327 256089826 /nfs/dbraw/zinc/08/98/26/256089826.db2.gz YWDCUSAQWDWDJM-SMDDNHRTSA-N 0 3 362.348 2.997 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000277354684 256188439 /nfs/dbraw/zinc/18/84/39/256188439.db2.gz GERDHQRSYLLNIH-OAHLLOKOSA-N 0 3 364.446 2.834 20 5 FFBDHN C[C@H]1CN(CCCNc2ncc([N+](=O)[O-])cc2Br)CCCO1 ZINC000277568703 256212519 /nfs/dbraw/zinc/21/25/19/256212519.db2.gz AZWQIWOYENESRC-NSHDSACASA-N 0 3 373.251 2.665 20 5 FFBDHN CN(CCn1cc(Br)c(=O)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000278482723 256317657 /nfs/dbraw/zinc/31/76/57/256317657.db2.gz ADKSFXRPQICZRF-UHFFFAOYSA-N 0 3 366.215 2.651 20 5 FFBDHN CCOC(=O)[C@@H]1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000278677186 256337377 /nfs/dbraw/zinc/33/73/77/256337377.db2.gz LZPFIQOYHMUCKQ-OUCADQQQSA-N 0 3 360.414 2.929 20 5 FFBDHN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)C1CCN(C2CC2)CC1 ZINC000278994916 256370268 /nfs/dbraw/zinc/37/02/68/256370268.db2.gz ZVIZJOMTNWZELD-UHFFFAOYSA-N 0 3 355.398 2.798 20 5 FFBDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000285866222 257008466 /nfs/dbraw/zinc/00/84/66/257008466.db2.gz BGZRFFKQGLPEDX-MRXNPFEDSA-N 0 3 373.409 2.645 20 5 FFBDHN COc1ccc([C@@H](CN(C)C)NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000285993999 257014882 /nfs/dbraw/zinc/01/48/82/257014882.db2.gz IGBOJPQFCPNHIX-GOSISDBHSA-N 0 3 357.410 2.565 20 5 FFBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000288200445 257159641 /nfs/dbraw/zinc/15/96/41/257159641.db2.gz CMDUAHYSMXLYEE-RDJZCZTQSA-N 0 3 372.469 2.894 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000289314387 257273788 /nfs/dbraw/zinc/27/37/88/257273788.db2.gz BOBCUFSHKZFGLX-QUCCMNQESA-N 0 3 368.437 2.877 20 5 FFBDHN CCCN(CCN1CCCC1)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000290332926 257326720 /nfs/dbraw/zinc/32/67/20/257326720.db2.gz FATYUIYQAARWEC-UHFFFAOYSA-N 0 3 364.402 2.759 20 5 FFBDHN C[C@H](NC[C@@](C)(O)CNC(=O)OC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000289584943 257288533 /nfs/dbraw/zinc/28/85/33/257288533.db2.gz RQXLLEPPAKNVHI-YVEFUNNKSA-N 0 3 353.419 2.521 20 5 FFBDHN CN(C)CCN1CCC(Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000301367574 258045115 /nfs/dbraw/zinc/04/51/15/258045115.db2.gz STCLRWFBHMTUAJ-UHFFFAOYSA-N 0 3 371.279 2.795 20 5 FFBDHN CN(CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C1CCCCC1 ZINC000302599536 258106691 /nfs/dbraw/zinc/10/66/91/258106691.db2.gz BVLHJSCSZKAOKI-UHFFFAOYSA-N 0 3 355.460 2.675 20 5 FFBDHN O=[N+]([O-])c1cc(Br)cnc1N1CCC[C@@H](N2CCCC2)C1 ZINC000301700187 258063578 /nfs/dbraw/zinc/06/35/78/258063578.db2.gz SATLSRUBDCNCKZ-GFCCVEGCSA-N 0 3 355.236 2.817 20 5 FFBDHN Cc1cc(N2CCN(C[C@@H]3CCOC3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000301993576 258081205 /nfs/dbraw/zinc/08/12/05/258081205.db2.gz GSARYYBPEBEWPZ-HNNXBMFYSA-N 0 3 356.426 2.610 20 5 FFBDHN CN(C)[C@@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccsc1 ZINC000032369004 506246829 /nfs/dbraw/zinc/24/68/29/506246829.db2.gz HQCWHGZQRCAHAW-AWEZNQCLSA-N 0 3 359.411 2.565 20 5 FFBDHN CN(C)[C@@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000065714760 506348813 /nfs/dbraw/zinc/34/88/13/506348813.db2.gz NULUMIICLOMBCA-IBGZPJMESA-N 0 3 366.421 2.969 20 5 FFBDHN CCN1CCN(Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000041577837 506532685 /nfs/dbraw/zinc/53/26/85/506532685.db2.gz UOZMEVPLMKCZRO-UHFFFAOYSA-N 0 3 368.437 2.985 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000043126913 506703719 /nfs/dbraw/zinc/70/37/19/506703719.db2.gz LZECXJHVZRHHQF-HNNXBMFYSA-N 0 3 370.409 2.999 20 5 FFBDHN C[C@@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC(C)CC1 ZINC000067270466 506811188 /nfs/dbraw/zinc/81/11/88/506811188.db2.gz GPRXGWYHDOFNHY-HNNXBMFYSA-N 0 3 371.441 2.631 20 5 FFBDHN CN(C(=O)CN1CCN(CCC(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000055934179 506892081 /nfs/dbraw/zinc/89/20/81/506892081.db2.gz MRLWREQJOGLOPB-UHFFFAOYSA-N 0 3 362.474 2.611 20 5 FFBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)C1CCN(C)CC1 ZINC000068265749 507166766 /nfs/dbraw/zinc/16/67/66/507166766.db2.gz CNUQXVXZXADFDJ-LLVKDONJSA-N 0 3 355.822 2.568 20 5 FFBDHN CN(C)CCN(Cc1ccccc1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000068310799 507180901 /nfs/dbraw/zinc/18/09/01/507180901.db2.gz UCFHGGKCTGJMFZ-UHFFFAOYSA-N 0 3 356.426 2.597 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000023081647 507327734 /nfs/dbraw/zinc/32/77/34/507327734.db2.gz BJNWLXKFCXDFEH-MRXNPFEDSA-N 0 3 357.410 2.506 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)c1 ZINC000060155559 507515635 /nfs/dbraw/zinc/51/56/35/507515635.db2.gz MBVXXSFMVLSLSY-SFHVURJKSA-N 0 3 357.410 2.945 20 5 FFBDHN CCc1ccc([C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000027596327 507669570 /nfs/dbraw/zinc/66/95/70/507669570.db2.gz ZAVDIECAEHNSCP-GOSISDBHSA-N 0 3 371.437 2.955 20 5 FFBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000367126098 512350245 /nfs/dbraw/zinc/35/02/45/512350245.db2.gz KQRVQTZJGQVBEH-AWEZNQCLSA-N 0 3 372.400 2.568 20 5 FFBDHN CN(C)Cc1cccc(CNC(=O)NCCNc2ccccc2[N+](=O)[O-])c1 ZINC000028399065 507723516 /nfs/dbraw/zinc/72/35/16/507723516.db2.gz LJWMGVQYDCUILL-UHFFFAOYSA-N 0 3 371.441 2.568 20 5 FFBDHN CC(C)(C)N1CCCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000063722739 507764681 /nfs/dbraw/zinc/76/46/81/507764681.db2.gz AYYXQEZFISNSHZ-UHFFFAOYSA-N 0 3 371.441 2.727 20 5 FFBDHN COC(=O)c1cc(C(=O)Nc2ccc(CN(C)C)cc2)cc([N+](=O)[O-])c1 ZINC000029953900 507797873 /nfs/dbraw/zinc/79/78/73/507797873.db2.gz RRBZEBPKYMORQE-UHFFFAOYSA-N 0 3 357.366 2.695 20 5 FFBDHN CN(C)[C@@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000072487668 507798777 /nfs/dbraw/zinc/79/87/77/507798777.db2.gz NQRWTXXSQIFSBA-SFHVURJKSA-N 0 3 371.441 2.609 20 5 FFBDHN CSc1ccc(C(=O)N(CCN(C)C)Cc2ccccn2)cc1[N+](=O)[O-] ZINC000107263112 507840926 /nfs/dbraw/zinc/84/09/26/507840926.db2.gz QZCGTDADLGOYES-UHFFFAOYSA-N 0 3 374.466 2.916 20 5 FFBDHN CN(C)Cc1ccc(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000089477303 507842489 /nfs/dbraw/zinc/84/24/89/507842489.db2.gz IKPPBWOQNKBSCY-UHFFFAOYSA-N 0 3 366.421 2.997 20 5 FFBDHN CC[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCS1 ZINC000072862685 507866137 /nfs/dbraw/zinc/86/61/37/507866137.db2.gz OCABZYKSEHATSX-ZDUSSCGKSA-N 0 3 353.444 2.759 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCN(C[C@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000089952229 507890435 /nfs/dbraw/zinc/89/04/35/507890435.db2.gz QGMQIWIDYIPIGW-NVXWUHKLSA-N 0 3 352.456 2.960 20 5 FFBDHN CN(CCCOc1ccc(Cl)cc1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090518862 507924612 /nfs/dbraw/zinc/92/46/12/507924612.db2.gz UZTJISARSQDAPX-UHFFFAOYSA-N 0 3 365.817 2.811 20 5 FFBDHN Cc1cc(N2CCN(CCN(C)Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000074748095 508052283 /nfs/dbraw/zinc/05/22/83/508052283.db2.gz LCQUNIMLMKJXOW-UHFFFAOYSA-N 0 3 369.469 2.552 20 5 FFBDHN Cc1cc(N2CCN([C@H]3CCCN(C)C3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000080640982 508091137 /nfs/dbraw/zinc/09/11/37/508091137.db2.gz GUILHMVEYBYWKX-AWEZNQCLSA-N 0 3 352.866 2.773 20 5 FFBDHN COC(=O)C(C)(C)[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000093280807 508134499 /nfs/dbraw/zinc/13/44/99/508134499.db2.gz NHCORNMBXAXXQY-CQSZACIVSA-N 0 3 350.415 2.885 20 5 FFBDHN CCN(CCNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])C(C)C ZINC000112079443 508149698 /nfs/dbraw/zinc/14/96/98/508149698.db2.gz TVJRHICVBPQNNC-UHFFFAOYSA-N 0 3 359.430 2.702 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@H](c3nnc4ccccn43)C2)cc1 ZINC000076396450 508200234 /nfs/dbraw/zinc/20/02/34/508200234.db2.gz RPEXUYOQGQIRRT-HNNXBMFYSA-N 0 3 367.409 2.896 20 5 FFBDHN CC(C)(C)C(=O)NC[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000112699515 508211019 /nfs/dbraw/zinc/21/10/19/508211019.db2.gz VOPWXPWCNBFZJQ-HNNXBMFYSA-N 0 3 363.458 2.848 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000367204491 512383832 /nfs/dbraw/zinc/38/38/32/512383832.db2.gz DABJWLYUILPJAF-HXUWFJFHSA-N 0 3 368.437 2.940 20 5 FFBDHN NC(=O)c1ccc(CN2CC[C@@H](Cc3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000076805928 508255414 /nfs/dbraw/zinc/25/54/14/508255414.db2.gz OXYKSAUPQJJPLV-AWEZNQCLSA-N 0 3 357.385 2.897 20 5 FFBDHN O=C1CCCN1CCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113314571 508260694 /nfs/dbraw/zinc/26/06/94/508260694.db2.gz RVKHIKQHEDYXEN-UHFFFAOYSA-N 0 3 360.439 2.820 20 5 FFBDHN CN(C)[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CC1 ZINC000076925725 508263384 /nfs/dbraw/zinc/26/33/84/508263384.db2.gz YWURNMDBBPGVFL-FQEVSTJZSA-N 0 3 363.461 2.611 20 5 FFBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1CN1CCCCC1 ZINC000105177202 508364354 /nfs/dbraw/zinc/36/43/54/508364354.db2.gz SNXWZXVQOVQTGB-GOSISDBHSA-N 0 3 360.458 2.797 20 5 FFBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000121859620 508434413 /nfs/dbraw/zinc/43/44/13/508434413.db2.gz YRFMJEAGCWRCAT-YGRLFVJLSA-N 0 3 370.247 2.770 20 5 FFBDHN COc1ccccc1C[C@@H]1CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000116163517 508480758 /nfs/dbraw/zinc/48/07/58/508480758.db2.gz BALUMBFQKDXASZ-KRWDZBQOSA-N 0 3 369.421 2.909 20 5 FFBDHN COc1ccc(CN[C@H](CO)Cc2c[nH]c3ccccc23)cc1[N+](=O)[O-] ZINC000116350112 508501957 /nfs/dbraw/zinc/50/19/57/508501957.db2.gz YVBQAELFABDUAI-HNNXBMFYSA-N 0 3 355.394 2.778 20 5 FFBDHN CC(C)[C@H](C)NC(=O)C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000116379865 508505786 /nfs/dbraw/zinc/50/57/86/508505786.db2.gz ZRLMZSMHGHOZJC-HNNXBMFYSA-N 0 3 363.458 2.846 20 5 FFBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000122852911 508597036 /nfs/dbraw/zinc/59/70/36/508597036.db2.gz ARXPRQLCHVBUEH-ZBFHGGJFSA-N 0 3 356.426 2.704 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CN1Cc1ccccc1 ZINC000137431550 508756146 /nfs/dbraw/zinc/75/61/46/508756146.db2.gz YVMAOMFZVKPBQA-DOMZBBRYSA-N 0 3 372.400 2.709 20 5 FFBDHN CC1CCN([C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000137884003 508766580 /nfs/dbraw/zinc/76/65/80/508766580.db2.gz ZLDGQRPLRXWVOJ-OAHLLOKOSA-N 0 3 357.414 2.521 20 5 FFBDHN CC1CCN([C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000137884003 508766583 /nfs/dbraw/zinc/76/65/83/508766583.db2.gz ZLDGQRPLRXWVOJ-OAHLLOKOSA-N 0 3 357.414 2.521 20 5 FFBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000138259291 508771627 /nfs/dbraw/zinc/77/16/27/508771627.db2.gz YXIPDVNOKWTSOC-HUUCEWRRSA-N 0 3 371.441 2.631 20 5 FFBDHN O=C(Nc1ccc(CCN2CCSCC2)cc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000143596120 508832401 /nfs/dbraw/zinc/83/24/01/508832401.db2.gz PIWXTWOJTOZEAV-UHFFFAOYSA-N 0 3 360.439 2.767 20 5 FFBDHN CN(C)C[C@@H]1CN(Cc2cc(=O)oc3ccc4ccccc4c23)CCO1 ZINC000155271489 508963227 /nfs/dbraw/zinc/96/32/27/508963227.db2.gz SJTXAYNFSRFDPS-QGZVFWFLSA-N 0 3 352.434 2.709 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H]1CC(C)(C)OC1(C)C ZINC000132405754 509027025 /nfs/dbraw/zinc/02/70/25/509027025.db2.gz FFRCPAKJSSRDCV-ABAIWWIYSA-N 0 3 365.430 2.866 20 5 FFBDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000155599762 509035022 /nfs/dbraw/zinc/03/50/22/509035022.db2.gz IWOGOPDOCXJNGW-ZBFHGGJFSA-N 0 3 360.458 2.654 20 5 FFBDHN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](OCCN2CCCCC2)C1 ZINC000151678931 509065259 /nfs/dbraw/zinc/06/52/59/509065259.db2.gz PLEGALFRQNCNCM-KRWDZBQOSA-N 0 3 362.430 2.704 20 5 FFBDHN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@H](N2CCCC2)C1 ZINC000120814573 509069834 /nfs/dbraw/zinc/06/98/34/509069834.db2.gz NALHCWAGTUDDCC-LBPRGKRZSA-N 0 3 368.231 2.668 20 5 FFBDHN CC(C)N(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000151951172 509117148 /nfs/dbraw/zinc/11/71/48/509117148.db2.gz YDAUTWISGIRKEV-UHFFFAOYSA-N 0 3 358.236 2.770 20 5 FFBDHN CNC(=O)c1ccc(N(CCN(C)C)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000162012397 509169341 /nfs/dbraw/zinc/16/93/41/509169341.db2.gz WSRVUWKCWKKLDM-UHFFFAOYSA-N 0 3 374.416 2.662 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)[C@H]1COc2ccccc21 ZINC000185565879 509241126 /nfs/dbraw/zinc/24/11/26/509241126.db2.gz YGRMIJPZBGROIO-CZUORRHYSA-N 0 3 355.394 2.996 20 5 FFBDHN Cc1cc(S(=O)(=O)NCC(C)(C)N2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000217214728 509267635 /nfs/dbraw/zinc/26/76/35/509267635.db2.gz BPKRHJBPGNVKRD-ZDUSSCGKSA-N 0 3 369.487 2.692 20 5 FFBDHN CN1CC[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000179132803 509279525 /nfs/dbraw/zinc/27/95/25/509279525.db2.gz RYKUPPNLPHJJEU-MOPGFXCFSA-N 0 3 368.437 2.882 20 5 FFBDHN CCc1n[nH]c(C(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000185719558 509323389 /nfs/dbraw/zinc/32/33/89/509323389.db2.gz CXMZWUNPSHEECM-CQSZACIVSA-N 0 3 371.441 2.617 20 5 FFBDHN CCc1[nH]nc(C(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000185719558 509323393 /nfs/dbraw/zinc/32/33/93/509323393.db2.gz CXMZWUNPSHEECM-CQSZACIVSA-N 0 3 371.441 2.617 20 5 FFBDHN CCN1CCC[C@H]1CN(C)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000186013129 509478911 /nfs/dbraw/zinc/47/89/11/509478911.db2.gz NRTMMNYWPMHBNV-AWEZNQCLSA-N 0 3 354.838 2.874 20 5 FFBDHN CCC[C@H](N[C@@H](C(=O)N1CCOCC1)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000164928418 509546253 /nfs/dbraw/zinc/54/62/53/509546253.db2.gz CFIMAJAOHHNODL-ZWKOTPCHSA-N 0 3 363.458 2.909 20 5 FFBDHN C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183018810 509550135 /nfs/dbraw/zinc/55/01/35/509550135.db2.gz OKONZCAESCBHFO-VXGBXAGGSA-N 0 3 373.500 2.588 20 5 FFBDHN C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183018810 509550143 /nfs/dbraw/zinc/55/01/43/509550143.db2.gz OKONZCAESCBHFO-VXGBXAGGSA-N 0 3 373.500 2.588 20 5 FFBDHN CN(C)C1(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CCC1 ZINC000189514087 509613062 /nfs/dbraw/zinc/61/30/62/509613062.db2.gz AEAZGIGZIRDDQC-UHFFFAOYSA-N 0 3 360.458 2.751 20 5 FFBDHN CN1CCN(CCCN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180018288 509711675 /nfs/dbraw/zinc/71/16/75/509711675.db2.gz YCCJKFILROMMDA-OAQYLSRUSA-N 0 3 368.481 2.911 20 5 FFBDHN COc1cc(CN[C@H](C)CCCO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000268018408 509719392 /nfs/dbraw/zinc/71/93/92/509719392.db2.gz HCYTUUOQZWYPPZ-SNVBAGLBSA-N 0 3 366.336 2.795 20 5 FFBDHN CCN1CCC(n2nccc2NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000170765592 509764154 /nfs/dbraw/zinc/76/41/54/509764154.db2.gz RYEDNANXFWOCEL-UHFFFAOYSA-N 0 3 373.413 2.709 20 5 FFBDHN O=C(NC[C@H]1CCN(C2CC2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177011094 509817763 /nfs/dbraw/zinc/81/77/63/509817763.db2.gz AMFUSPSGNCNLQE-SNVBAGLBSA-N 0 3 368.231 2.571 20 5 FFBDHN O=[N+]([O-])c1ccccc1/C=C/CNC[C@@H](O)CN1CCc2ccccc2C1 ZINC000238120178 509823978 /nfs/dbraw/zinc/82/39/78/509823978.db2.gz SSWLKEYAWBEIRJ-MVHVFESUSA-N 0 3 367.449 2.617 20 5 FFBDHN COC(=O)c1cccc(NC(=O)C[C@H](C)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000183594656 509877517 /nfs/dbraw/zinc/87/75/17/509877517.db2.gz IDSQLJHZIGDGNF-ZDUSSCGKSA-N 0 3 371.393 2.888 20 5 FFBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000253542020 509889295 /nfs/dbraw/zinc/88/92/95/509889295.db2.gz IKLDQANEDPJOKK-OLZOCXBDSA-N 0 3 372.425 2.699 20 5 FFBDHN CC1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000180454757 509933299 /nfs/dbraw/zinc/93/32/99/509933299.db2.gz LWCPCPHZXHRKGN-UHFFFAOYSA-N 0 3 357.357 2.658 20 5 FFBDHN CCN(CCNC(=O)c1cccc([N+](=O)[O-])c1Br)C1CC1 ZINC000180558281 509983723 /nfs/dbraw/zinc/98/37/23/509983723.db2.gz NHBSJQLBBOPSFZ-UHFFFAOYSA-N 0 3 356.220 2.571 20 5 FFBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CC1(N(C)C)CCC1 ZINC000187001716 509999621 /nfs/dbraw/zinc/99/96/21/509999621.db2.gz DYGRPOYRIPBTLN-LBPRGKRZSA-N 0 3 368.865 2.991 20 5 FFBDHN O=C(NC[C@H]1CCN(Cc2ccccc2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000193772854 510062294 /nfs/dbraw/zinc/06/22/94/510062294.db2.gz PWXGWGOHBONKCU-OAHLLOKOSA-N 0 3 357.385 2.986 20 5 FFBDHN CCc1n[nH]c(C(=O)NC[C@H](c2ccccc2)N(CC)CC)c1[N+](=O)[O-] ZINC000171369869 510112850 /nfs/dbraw/zinc/11/28/50/510112850.db2.gz YIVYJXRQQZUGHN-OAHLLOKOSA-N 0 3 359.430 2.693 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)C2CCN(C(C)C)CC2)c1C ZINC000268883269 510118660 /nfs/dbraw/zinc/11/86/60/510118660.db2.gz SFQRZDNMCIJXQZ-UHFFFAOYSA-N 0 3 369.487 2.705 20 5 FFBDHN CC(=O)c1ccc(NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000268930706 510143251 /nfs/dbraw/zinc/14/32/51/510143251.db2.gz BZZHHRWJOJQUBZ-MJGOQNOKSA-N 0 3 361.442 2.977 20 5 FFBDHN O=[N+]([O-])c1ccccc1OCCN(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000245995768 510241876 /nfs/dbraw/zinc/24/18/76/510241876.db2.gz XNJRZFVBNBUUJQ-GJZGRUSLSA-N 0 3 352.456 2.960 20 5 FFBDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000265907825 510292830 /nfs/dbraw/zinc/29/28/30/510292830.db2.gz AISVKMWEVRMDJN-YZENIEGJSA-N 0 3 367.833 2.978 20 5 FFBDHN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@@H](N2CCCC2)C1 ZINC000181416690 510398891 /nfs/dbraw/zinc/39/88/91/510398891.db2.gz PAQKBLNUFKGVGZ-GFCCVEGCSA-N 0 3 355.341 2.507 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](CN2CCOCC2)C1 ZINC000175224800 510538877 /nfs/dbraw/zinc/53/88/77/510538877.db2.gz FIXIXTAIOJORGC-MRXNPFEDSA-N 0 3 363.458 2.538 20 5 FFBDHN CN1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C2(CCCCC2)C1 ZINC000178402057 510584702 /nfs/dbraw/zinc/58/47/02/510584702.db2.gz FBLRQVHENWMFTJ-UHFFFAOYSA-N 0 3 361.442 2.912 20 5 FFBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000247267792 510854943 /nfs/dbraw/zinc/85/49/43/510854943.db2.gz FIQCKGSRMPODET-HEHGZKQESA-N 0 3 351.472 2.874 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCCN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000277737115 510971263 /nfs/dbraw/zinc/97/12/63/510971263.db2.gz KLKWETBLMHHZSK-IUODEOHRSA-N 0 3 362.348 2.999 20 5 FFBDHN CN1CCC[C@]2(CCN(C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000294246435 511003475 /nfs/dbraw/zinc/00/34/75/511003475.db2.gz SHTUHLILXRTRKW-INIZCTEOSA-N 0 3 353.369 2.631 20 5 FFBDHN COc1cc(C(=O)N2CCCC[C@@H](N3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000294456573 511071381 /nfs/dbraw/zinc/07/13/81/511071381.db2.gz BYHBKIGPXOXPEW-CYBMUJFWSA-N 0 3 365.405 2.833 20 5 FFBDHN CN(C)CCn1nccc1NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000297871562 511095311 /nfs/dbraw/zinc/09/53/11/511095311.db2.gz ULLDTMJLUWYGES-UHFFFAOYSA-N 0 3 372.212 2.912 20 5 FFBDHN C[C@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@@H]1N1CCN(C)CC1 ZINC000362077900 511128732 /nfs/dbraw/zinc/12/87/32/511128732.db2.gz KMUVLQZHZQQRQZ-YOEHRIQHSA-N 0 3 366.893 2.706 20 5 FFBDHN C[C@@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000279627749 511151777 /nfs/dbraw/zinc/15/17/77/511151777.db2.gz IGNVYBXIAGSCSL-SNVBAGLBSA-N 0 3 355.797 2.696 20 5 FFBDHN COc1ccc(OCCN2CCC([C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000364942117 511166675 /nfs/dbraw/zinc/16/66/75/511166675.db2.gz HZCPREWGMJGXEH-HNNXBMFYSA-N 0 3 350.415 2.731 20 5 FFBDHN O=C1CC[C@H](NCc2ccc(Br)c([N+](=O)[O-])c2)C2(CCC2)N1 ZINC000282965963 511180773 /nfs/dbraw/zinc/18/07/73/511180773.db2.gz YSTUGAAHUPPENG-ZDUSSCGKSA-N 0 3 368.231 2.648 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(c3ccccn3)CC2)c1 ZINC000362760935 511234706 /nfs/dbraw/zinc/23/47/06/511234706.db2.gz YOJUWTJWWQVZAC-KRWDZBQOSA-N 0 3 357.410 2.609 20 5 FFBDHN CC[C@H]1CCCCN1CCNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000294964769 511236738 /nfs/dbraw/zinc/23/67/38/511236738.db2.gz PRKLQVXGHXKSJH-LBPRGKRZSA-N 0 3 353.394 2.737 20 5 FFBDHN CN1CCC[C@H]2CN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000295078321 511274197 /nfs/dbraw/zinc/27/41/97/511274197.db2.gz WOUBJMBMGKXXRT-DOTOQJQBSA-N 0 3 359.426 2.500 20 5 FFBDHN CC(C)c1n[nH]c(C(=O)N[C@H](C)CN(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000272035607 511407928 /nfs/dbraw/zinc/40/79/28/511407928.db2.gz NVDGJFIAZQOWSC-CYBMUJFWSA-N 0 3 359.430 2.692 20 5 FFBDHN CCOc1ccc([C@@H](C)NC[C@@H]2COC3(CCOCC3)O2)cc1[N+](=O)[O-] ZINC000272076481 511423356 /nfs/dbraw/zinc/42/33/56/511423356.db2.gz VSWLLZMVPMTJSR-UKRRQHHQSA-N 0 3 366.414 2.566 20 5 FFBDHN CC[C@@H](C)N1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000296025184 511593213 /nfs/dbraw/zinc/59/32/13/511593213.db2.gz MDAPKLXIVDYBJT-CHWSQXEVSA-N 0 3 368.865 2.991 20 5 FFBDHN C[C@H](NCc1cccc(CS(C)(=O)=O)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284248754 511656749 /nfs/dbraw/zinc/65/67/49/511656749.db2.gz VLMBKWXRJWCTPN-LBPRGKRZSA-N 0 3 363.439 2.572 20 5 FFBDHN CN1CCC[C@@]2(CCN(c3ncc([N+](=O)[O-])cc3Br)C2)C1 ZINC000292691253 511686944 /nfs/dbraw/zinc/68/69/44/511686944.db2.gz FMBSZBCPZNNDKN-CQSZACIVSA-N 0 3 355.236 2.674 20 5 FFBDHN C[C@H](N[C@H]1CCN(C)[C@@H]1c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000284417809 511715563 /nfs/dbraw/zinc/71/55/63/511715563.db2.gz XRQWWNJLTSHVJB-UCLAIMLFSA-N 0 3 368.437 2.957 20 5 FFBDHN CN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000284452002 511728081 /nfs/dbraw/zinc/72/80/81/511728081.db2.gz RBTHUKZCYIZYGP-AWEZNQCLSA-N 0 3 372.400 2.663 20 5 FFBDHN CN1CC[C@H]2OCCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@@H]2C1 ZINC000284521964 511757656 /nfs/dbraw/zinc/75/76/56/511757656.db2.gz FPXOQCPTWFDTIP-IEBWSBKVSA-N 0 3 357.410 2.760 20 5 FFBDHN NC(=O)c1ccc(N[C@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000311246233 511776064 /nfs/dbraw/zinc/77/60/64/511776064.db2.gz HQSXGEWNZXAWLE-INIZCTEOSA-N 0 3 354.410 2.770 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)n1 ZINC000312597582 511785947 /nfs/dbraw/zinc/78/59/47/511785947.db2.gz FIHSRZPESIZCOC-HIFRSBDPSA-N 0 3 370.409 2.851 20 5 FFBDHN Cc1ccc(C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000363879696 511826931 /nfs/dbraw/zinc/82/69/31/511826931.db2.gz PJEJBEATVFOQEF-OAHLLOKOSA-N 0 3 355.394 2.873 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCCN2CCOC3(CCOCC3)CC2)cc1 ZINC000364264615 512054196 /nfs/dbraw/zinc/05/41/96/512054196.db2.gz RNWGWPZTWPADLA-UHFFFAOYSA-N 0 3 350.415 2.635 20 5 FFBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1cnc2n1CCCC2 ZINC000367438332 512498694 /nfs/dbraw/zinc/49/86/94/512498694.db2.gz MHZDLQRVVPPGRX-CYBMUJFWSA-N 0 3 357.414 2.635 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(c2c[nH]cn2)CC1 ZINC000374212252 512709755 /nfs/dbraw/zinc/70/97/55/512709755.db2.gz PLWCZIXEBAFPIU-UHFFFAOYSA-N 0 3 373.413 2.535 20 5 FFBDHN C[C@@H](C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)N1[C@H](C)CC[C@@H]1C ZINC000411996280 512907273 /nfs/dbraw/zinc/90/72/73/512907273.db2.gz GEQJXDHFJOITQK-TUAOUCFPSA-N 0 3 358.402 2.580 20 5 FFBDHN CN1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000412214344 513000215 /nfs/dbraw/zinc/00/02/15/513000215.db2.gz GHQYQPGQECJZFR-YRPNKDGESA-N 0 3 365.433 2.912 20 5 FFBDHN CN(C(=O)CN[C@@H](c1ccccc1)[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000374990122 513100408 /nfs/dbraw/zinc/10/04/08/513100408.db2.gz LSVNJUAOWYYMHH-JXFKEZNVSA-N 0 3 369.421 2.925 20 5 FFBDHN COc1ccc(CNC[C@]2(CO)C[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000428553548 513128571 /nfs/dbraw/zinc/12/85/71/513128571.db2.gz XIYOPPCELOHGGD-LPHOPBHVSA-N 0 3 360.385 2.998 20 5 FFBDHN O=[N+]([O-])c1cc(Br)ccc1NC[C@H]1CCCCN1CCO ZINC000450621485 513277112 /nfs/dbraw/zinc/27/71/12/513277112.db2.gz XFDFUPWJPNPLGP-GFCCVEGCSA-N 0 3 358.236 2.616 20 5 FFBDHN Nc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425016808 513373323 /nfs/dbraw/zinc/37/33/23/513373323.db2.gz XSJXPGMAPAYFDA-MAUKXSAKSA-N 0 3 366.421 2.524 20 5 FFBDHN CN(C[C@H]1CCCN1C)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000421710157 513381914 /nfs/dbraw/zinc/38/19/14/513381914.db2.gz JDBMOWFXVOQDKS-OAHLLOKOSA-N 0 3 354.410 2.823 20 5 FFBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425056743 513394477 /nfs/dbraw/zinc/39/44/77/513394477.db2.gz KPVSTLHUPGUVNS-TYNCELHUSA-N 0 3 367.833 2.568 20 5 FFBDHN CCOc1cc(NC(C)(C)CN2CCN(CC)CC2)ccc1[N+](=O)[O-] ZINC000450925297 513406755 /nfs/dbraw/zinc/40/67/55/513406755.db2.gz XWUHNYFSODDNIS-UHFFFAOYSA-N 0 3 350.463 2.822 20 5 FFBDHN CN(c1ncc([N+](=O)[O-])cc1F)C1CCN(CCc2ccccn2)CC1 ZINC000413107856 513450802 /nfs/dbraw/zinc/45/08/02/513450802.db2.gz QFYKYRYLPLGDOX-UHFFFAOYSA-N 0 3 359.405 2.667 20 5 FFBDHN CN(C)C(=O)c1cccc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447525653 513496861 /nfs/dbraw/zinc/49/68/61/513496861.db2.gz APYAOYUBEWODKV-DLBZAZTESA-N 0 3 371.441 2.767 20 5 FFBDHN N[C@@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccccc1 ZINC000418426489 513505030 /nfs/dbraw/zinc/50/50/30/513505030.db2.gz JYRXXQDFYCCBKZ-SFHVURJKSA-N 0 3 354.410 2.969 20 5 FFBDHN CN(C(=O)CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000447586946 513515587 /nfs/dbraw/zinc/51/55/87/513515587.db2.gz OEZGNTNSYBAUER-HOTGVXAUSA-N 0 3 363.462 2.656 20 5 FFBDHN CS[C@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000425426814 513560098 /nfs/dbraw/zinc/56/00/98/513560098.db2.gz WUVULMZUNHEEQW-KGLIPLIRSA-N 0 3 374.304 2.835 20 5 FFBDHN COC(=O)[C@@H](CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000425488065 513595277 /nfs/dbraw/zinc/59/52/77/513595277.db2.gz WNAAYSXTOGDUEQ-KRWDZBQOSA-N 0 3 372.425 2.775 20 5 FFBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNCCN2C[C@H]3CC[C@@H](C2)O3)o1 ZINC000451218209 513601363 /nfs/dbraw/zinc/60/13/63/513601363.db2.gz AOJUPKDIGGKCEI-IYBDPMFKSA-N 0 3 357.410 2.808 20 5 FFBDHN COc1ccc(C(=O)Nc2cc(C)nn2C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000430430015 513650644 /nfs/dbraw/zinc/65/06/44/513650644.db2.gz KCJVAAAPNIZLHE-UHFFFAOYSA-N 0 3 373.413 2.627 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000448080291 513670780 /nfs/dbraw/zinc/67/07/80/513670780.db2.gz LXYDLAGVAIYIKR-HNNXBMFYSA-N 0 3 350.419 2.845 20 5 FFBDHN O=C1[C@H](N2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451343684 513690067 /nfs/dbraw/zinc/69/00/67/513690067.db2.gz OSIQADPCXAQWBR-WJFTUGDTSA-N 0 3 373.453 2.716 20 5 FFBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451349116 513694136 /nfs/dbraw/zinc/69/41/36/513694136.db2.gz WOZOJSTWEUACDM-BVPBIZIASA-N 0 3 361.442 2.937 20 5 FFBDHN C[C@H](N[C@@H]1CCO[C@@H](c2ccccn2)C1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000419304541 513768809 /nfs/dbraw/zinc/76/88/09/513768809.db2.gz JYKLXRYOZIMNIF-JCKWVBRZSA-N 0 3 370.409 2.827 20 5 FFBDHN CC(C)O[C@@H]1C[C@H](NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000451492166 513785863 /nfs/dbraw/zinc/78/58/63/513785863.db2.gz FRYXTFSLLUCKLG-DLBZAZTESA-N 0 3 361.442 2.666 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCSC[C@H]1C1CCC1 ZINC000419375388 513792396 /nfs/dbraw/zinc/79/23/96/513792396.db2.gz QLKWRPRVJPFHIR-ZBFHGGJFSA-N 0 3 352.456 2.552 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCN1C ZINC000426068459 513839689 /nfs/dbraw/zinc/83/96/89/513839689.db2.gz YHYBJVIRRUYHLJ-ZWNOBZJWSA-N 0 3 374.363 2.896 20 5 FFBDHN C[C@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000448814929 513912049 /nfs/dbraw/zinc/91/20/49/513912049.db2.gz XZENVGGUEXBBGG-OAHLLOKOSA-N 0 3 361.442 2.794 20 5 FFBDHN CC[C@@H]1CCCCN1CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448985468 514007587 /nfs/dbraw/zinc/00/75/87/514007587.db2.gz XGKHNFKMLHYXHI-MRXNPFEDSA-N 0 3 361.442 2.938 20 5 FFBDHN CCN(CC)CCN(CC(C)C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443706900 514025921 /nfs/dbraw/zinc/02/59/21/514025921.db2.gz IXJLHDPOVLNJLM-UHFFFAOYSA-N 0 3 371.503 2.724 20 5 FFBDHN C[C@H](NC(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1)c1cccc([N+](=O)[O-])c1 ZINC000417140126 514189207 /nfs/dbraw/zinc/18/92/07/514189207.db2.gz PLUDVNNDFDUNSM-DOPJRALCSA-N 0 3 354.410 2.792 20 5 FFBDHN COC(=O)COc1ccc(CNC[C@@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000449491037 514226763 /nfs/dbraw/zinc/22/67/63/514226763.db2.gz DWDRQUWRKQASRC-LBPRGKRZSA-N 0 3 358.341 2.672 20 5 FFBDHN CCc1ccccc1[C@H](N)CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417226030 514244329 /nfs/dbraw/zinc/24/43/29/514244329.db2.gz KCSHPTASUAWGHO-GOSISDBHSA-N 0 3 356.426 2.699 20 5 FFBDHN Cn1nccc1[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000449596765 514265516 /nfs/dbraw/zinc/26/55/16/514265516.db2.gz YEYLRBIJEXTFMI-WBMJQRKESA-N 0 3 350.806 2.992 20 5 FFBDHN CCOC(=O)c1cc(NCCCN2CCCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000432861962 514305405 /nfs/dbraw/zinc/30/54/05/514305405.db2.gz CQQCAABJCBIMFE-CQSZACIVSA-N 0 3 365.430 2.684 20 5 FFBDHN COC(=O)c1cnc(Nc2cccc3c2OCC[C@@H]3N(C)C)c([N+](=O)[O-])c1 ZINC000432925279 514324173 /nfs/dbraw/zinc/32/41/73/514324173.db2.gz BJCIUVMCNOERMJ-AWEZNQCLSA-N 0 3 372.381 2.905 20 5 FFBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCN(CCc4ccccc4)CC3)nc2c1 ZINC000427983914 514365853 /nfs/dbraw/zinc/36/58/53/514365853.db2.gz MWZANAAIBDEZON-UHFFFAOYSA-N 0 3 351.410 2.836 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3CNCCO3)o2)c(Cl)c1 ZINC000415090645 514438766 /nfs/dbraw/zinc/43/87/66/514438766.db2.gz AWPLDPRVJDGTSV-CYBMUJFWSA-N 0 3 351.790 2.586 20 5 FFBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCN3CCc4ccccc43)C2)nc1 ZINC000428386151 514462985 /nfs/dbraw/zinc/46/29/85/514462985.db2.gz WQJKEKUMVKUYCO-MRXNPFEDSA-N 0 3 353.426 2.539 20 5 FFBDHN COC(=O)COc1ccc(CN(C)CCc2ccccc2O)cc1[N+](=O)[O-] ZINC000475086341 514552217 /nfs/dbraw/zinc/55/22/17/514552217.db2.gz HNZRQTAZKYIGFV-UHFFFAOYSA-N 0 3 374.393 2.527 20 5 FFBDHN O=[N+]([O-])c1ccccc1C[C@@H](NCc1nc(-c2ccccn2)n[nH]1)C1CC1 ZINC000453375274 514613543 /nfs/dbraw/zinc/61/35/43/514613543.db2.gz WGJWJSZBKXXEIS-MRXNPFEDSA-N 0 3 364.409 2.886 20 5 FFBDHN O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1nnc(-c2ccccn2)[n-]1)C1CC1 ZINC000453375274 514613551 /nfs/dbraw/zinc/61/35/51/514613551.db2.gz WGJWJSZBKXXEIS-MRXNPFEDSA-N 0 3 364.409 2.886 20 5 FFBDHN CCCN1CCC(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)CC1 ZINC000508031899 514643674 /nfs/dbraw/zinc/64/36/74/514643674.db2.gz VRIKPGPHMGJPSF-UHFFFAOYSA-N 0 3 369.487 2.558 20 5 FFBDHN CC[C@H](C)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC)CC1 ZINC000453465375 514657418 /nfs/dbraw/zinc/65/74/18/514657418.db2.gz JYUCEXVBRXOPEK-AWEZNQCLSA-N 0 3 358.446 2.794 20 5 FFBDHN CN(C)CCOC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000498329038 514865803 /nfs/dbraw/zinc/86/58/03/514865803.db2.gz GNUBLAURVAZZJM-UHFFFAOYSA-N 0 3 361.398 2.524 20 5 FFBDHN CC[C@@H](NC(=O)NC[C@@]1(N(C)C)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000489503325 514873704 /nfs/dbraw/zinc/87/37/04/514873704.db2.gz XZQZQZHMWYSSIE-WBVHZDCISA-N 0 3 366.487 2.782 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000467047268 514876521 /nfs/dbraw/zinc/87/65/21/514876521.db2.gz RKLRRIRYOIAUQV-ABAIWWIYSA-N 0 3 372.450 2.931 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000467047273 514876674 /nfs/dbraw/zinc/87/66/74/514876674.db2.gz RKLRRIRYOIAUQV-XHDPSFHLSA-N 0 3 372.450 2.931 20 5 FFBDHN CN(C)[C@@]1(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCSC1 ZINC000480281343 514906855 /nfs/dbraw/zinc/90/68/55/514906855.db2.gz VWURYTYBRZUWGC-MRXNPFEDSA-N 0 3 365.480 2.977 20 5 FFBDHN CN(C[C@H]1CCCN(C)C1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000498473896 514919508 /nfs/dbraw/zinc/91/95/08/514919508.db2.gz OKBYOVTWDLGGGI-ZDUSSCGKSA-N 0 3 368.865 2.774 20 5 FFBDHN CCN(CC)[C@H](C)CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000480369749 514934308 /nfs/dbraw/zinc/93/43/08/514934308.db2.gz VROXBQDBMVZSIS-CYBMUJFWSA-N 0 3 359.430 2.702 20 5 FFBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000485348540 515004705 /nfs/dbraw/zinc/00/47/05/515004705.db2.gz LPGCGDDFLAVHEF-CHWSQXEVSA-N 0 3 367.471 2.546 20 5 FFBDHN COCCN1CCCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485416991 515031915 /nfs/dbraw/zinc/03/19/15/515031915.db2.gz LFZAGSGRBMIJML-UHFFFAOYSA-N 0 3 374.416 2.954 20 5 FFBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000489946955 515043233 /nfs/dbraw/zinc/04/32/33/515043233.db2.gz RGJWHKVRAFUAGL-MPGHIAIKSA-N 0 3 360.458 2.509 20 5 FFBDHN Cc1c(NC(=O)[C@H](C)N[C@@H]2CCC[C@H]2OC(F)F)cccc1[N+](=O)[O-] ZINC000503515890 515063942 /nfs/dbraw/zinc/06/39/42/515063942.db2.gz ISAALOSVLUMTBX-ZKYQVNSYSA-N 0 3 357.357 2.980 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCCN2CCC(C)CC2)c1C ZINC000480738851 515065850 /nfs/dbraw/zinc/06/58/50/515065850.db2.gz HWGWZOZQRIFKDB-UHFFFAOYSA-N 0 3 369.487 2.612 20 5 FFBDHN COCCN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCOC1 ZINC000490047437 515080037 /nfs/dbraw/zinc/08/00/37/515080037.db2.gz SWMOGSAKDCPIOR-INIZCTEOSA-N 0 3 361.398 2.530 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000456325125 515095040 /nfs/dbraw/zinc/09/50/40/515095040.db2.gz FRQJSZKVBMMFDW-OAHLLOKOSA-N 0 3 356.426 2.527 20 5 FFBDHN Cc1ccc([C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000499134681 515213230 /nfs/dbraw/zinc/21/32/30/515213230.db2.gz ORBDOMDCGXZSNJ-QGZVFWFLSA-N 0 3 357.410 2.701 20 5 FFBDHN CC1CCN(CCNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000472351839 515240139 /nfs/dbraw/zinc/24/01/39/515240139.db2.gz UQTCOTKKLRKIOZ-UHFFFAOYSA-N 0 3 362.474 2.571 20 5 FFBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1c2c(nn1C)CCCC2 ZINC000462816898 515256658 /nfs/dbraw/zinc/25/66/58/515256658.db2.gz NAKDBBCQQUPEIU-CYBMUJFWSA-N 0 3 371.441 2.714 20 5 FFBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000468484709 515379884 /nfs/dbraw/zinc/37/98/84/515379884.db2.gz UXDCMMUKQWKNID-MRXNPFEDSA-N 0 3 356.426 2.993 20 5 FFBDHN COc1cc(CN2CCN(C)CC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000491152181 515387190 /nfs/dbraw/zinc/38/71/90/515387190.db2.gz YWFNRJFEOIURCU-LBPRGKRZSA-N 0 3 373.400 2.773 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000491322046 515413788 /nfs/dbraw/zinc/41/37/88/515413788.db2.gz KHODGBBNKRQASE-FQEVSTJZSA-N 0 3 355.438 2.976 20 5 FFBDHN CNc1nc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)ccc1[N+](=O)[O-] ZINC000454372392 515438308 /nfs/dbraw/zinc/43/83/08/515438308.db2.gz ILOFORSZODPUCI-QGZVFWFLSA-N 0 3 369.425 2.598 20 5 FFBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1cccc(OCC(N)=O)c1 ZINC000468634863 515446416 /nfs/dbraw/zinc/44/64/16/515446416.db2.gz JFVXVHGSNOONRP-RIYZIHGNSA-N 0 3 355.394 2.652 20 5 FFBDHN CN(C)[C@H]1Cc2ccccc2N(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000463743436 515598567 /nfs/dbraw/zinc/59/85/67/515598567.db2.gz DLBSXWRRYOPIDD-INIZCTEOSA-N 0 3 368.437 2.551 20 5 FFBDHN COc1cc(CN[C@H]2CCC[C@]2(C)CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000493738907 515660191 /nfs/dbraw/zinc/66/01/91/515660191.db2.gz WECMUJQAOSHEQN-DOTOQJQBSA-N 0 3 374.384 2.888 20 5 FFBDHN C[C@H](N[C@@H]1CCN(C(=O)COc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000510994293 515738825 /nfs/dbraw/zinc/73/88/25/515738825.db2.gz GGYAHZZZKZPPIV-DOTOQJQBSA-N 0 3 369.421 2.925 20 5 FFBDHN CN(C)C1(CNC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCC1 ZINC000454816182 515762532 /nfs/dbraw/zinc/76/25/32/515762532.db2.gz ADYBVXKKOUFKGS-INIZCTEOSA-N 0 3 360.458 2.968 20 5 FFBDHN O=C1c2ccccc2C(=O)N1CCCCNCc1ccc([N+](=O)[O-])cc1F ZINC000478354729 515793014 /nfs/dbraw/zinc/79/30/14/515793014.db2.gz HOQZBAQDESVDTK-UHFFFAOYSA-N 0 3 371.368 2.900 20 5 FFBDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1c(N)cccc1[N+](=O)[O-])N(C)C ZINC000487438968 515860828 /nfs/dbraw/zinc/86/08/28/515860828.db2.gz JIODUNJWLINCEN-FZKQIMNGSA-N 0 3 356.426 2.907 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000494679473 515919446 /nfs/dbraw/zinc/91/94/46/515919446.db2.gz FJLGEAISPKKKCE-KRWDZBQOSA-N 0 3 369.421 2.998 20 5 FFBDHN CN1CC[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C[C@@H]21 ZINC000455097882 515957850 /nfs/dbraw/zinc/95/78/50/515957850.db2.gz KYCVLKOHGYQPIG-RNCFNFMXSA-N 0 3 358.320 2.781 20 5 FFBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000488087556 516111858 /nfs/dbraw/zinc/11/18/58/516111858.db2.gz WUEJIHGHSWHNLO-HUUCEWRRSA-N 0 3 371.441 2.773 20 5 FFBDHN CC(C)OCCN1CCC(Nc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000488132776 516128737 /nfs/dbraw/zinc/12/87/37/516128737.db2.gz XKGALTVJQJMDPV-UHFFFAOYSA-N 0 3 358.442 2.866 20 5 FFBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000470203753 516171875 /nfs/dbraw/zinc/17/18/75/516171875.db2.gz FBKSNTAYBSCNBY-VDBIKXPHSA-N 0 3 371.359 2.999 20 5 FFBDHN CN(CCNC(=O)CSc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000507452760 516215360 /nfs/dbraw/zinc/21/53/60/516215360.db2.gz XBZUXSRKAWKGLH-UHFFFAOYSA-N 0 3 359.451 2.935 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000488475658 516234714 /nfs/dbraw/zinc/23/47/14/516234714.db2.gz JRGBBCHHLSPYIU-GDBMZVCRSA-N 0 3 356.426 2.574 20 5 FFBDHN CC[C@H](N[C@@H]1CCC(=O)N[C@H]1c1cnn(CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000488494192 516240001 /nfs/dbraw/zinc/24/00/01/516240001.db2.gz VXGKIHYEXQSELX-SCTDSRPQSA-N 0 3 371.441 2.872 20 5 FFBDHN CCCN(CCN(CC)CC)S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000460907873 516281706 /nfs/dbraw/zinc/28/17/06/516281706.db2.gz MPHGEIXIXHSVEW-UHFFFAOYSA-N 0 3 371.503 2.954 20 5 FFBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCN(C2CCCCC2)CC1 ZINC000535433188 516353537 /nfs/dbraw/zinc/35/35/37/516353537.db2.gz BSFRMLLMNMJTNC-UHFFFAOYSA-N 0 3 360.458 2.797 20 5 FFBDHN Cc1c(NC(=O)CCN2CC[C@@H](COC(F)F)C2)cccc1[N+](=O)[O-] ZINC000512817292 516371339 /nfs/dbraw/zinc/37/13/39/516371339.db2.gz LJLCXGUNLHQRIW-GFCCVEGCSA-N 0 3 357.357 2.793 20 5 FFBDHN Cc1ccc(NCCCNC(=O)CCN(C)c2ccncc2)c([N+](=O)[O-])c1 ZINC000543712952 516384700 /nfs/dbraw/zinc/38/47/00/516384700.db2.gz GKRTWPGSGSSDOC-UHFFFAOYSA-N 0 3 371.441 2.743 20 5 FFBDHN CCCCN1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000523622364 516522949 /nfs/dbraw/zinc/52/29/49/516522949.db2.gz BLMJQBRIXWEUNS-OAHLLOKOSA-N 0 3 369.487 2.836 20 5 FFBDHN COc1ccccc1C[C@H](C)N(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000544147271 516614138 /nfs/dbraw/zinc/61/41/38/516614138.db2.gz YSRSHCDXRVZLEY-DOTOQJQBSA-N 0 3 374.437 2.906 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)N2CCCC2)cc1SC ZINC000524192865 516665816 /nfs/dbraw/zinc/66/58/16/516665816.db2.gz FYRHMWQEVMFRHT-NSHDSACASA-N 0 3 353.444 2.539 20 5 FFBDHN CN(CCCn1ccnc1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000554883295 516679262 /nfs/dbraw/zinc/67/92/62/516679262.db2.gz AULDBSDPINZIPV-UHFFFAOYSA-N 0 3 354.414 2.714 20 5 FFBDHN O=C1C[C@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CN1C1CC1 ZINC000518781502 516772589 /nfs/dbraw/zinc/77/25/89/516772589.db2.gz KJMMLGOXHXKLMX-GFCCVEGCSA-N 0 3 372.450 2.819 20 5 FFBDHN C[C@H]1CCCCN1CCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541014511 516831805 /nfs/dbraw/zinc/83/18/05/516831805.db2.gz SNBILQHBBHLWEM-NSHDSACASA-N 0 3 357.357 2.800 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H](C)CN2CCCCC2)c1 ZINC000544668425 516863326 /nfs/dbraw/zinc/86/33/26/516863326.db2.gz QJQVDKZTEKYZNU-AWEZNQCLSA-N 0 3 369.487 2.612 20 5 FFBDHN C[C@H]1CN(C2CCOCC2)CCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000555495235 516945353 /nfs/dbraw/zinc/94/53/53/516945353.db2.gz NSOXNCOHNCMXMZ-AWEZNQCLSA-N 0 3 356.426 2.833 20 5 FFBDHN Cc1ccc(C)c(S(=O)(=O)[N-]CCCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000559139664 517095336 /nfs/dbraw/zinc/09/53/36/517095336.db2.gz ZSUPKFVKSANTCI-UHFFFAOYSA-N 0 3 369.487 2.756 20 5 FFBDHN O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1CCCN(Cc2cccnc2)C1 ZINC000548751549 517188681 /nfs/dbraw/zinc/18/86/81/517188681.db2.gz HRATVAVKIOCZMN-SFHVURJKSA-N 0 3 368.437 2.561 20 5 FFBDHN CC[C@H](NCc1cccc(OCC(=O)NC)c1)c1cccc([N+](=O)[O-])c1 ZINC000552325310 517198147 /nfs/dbraw/zinc/19/81/47/517198147.db2.gz RTKQPVRXTVFNAS-SFHVURJKSA-N 0 3 357.410 2.961 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000541760460 517202741 /nfs/dbraw/zinc/20/27/41/517202741.db2.gz NLCOBDHQZCYOEM-CRAIPNDOSA-N 0 3 360.435 2.762 20 5 FFBDHN CN(C)CCOc1cc(-c2noc(-c3ccc([N+](=O)[O-])cc3)n2)ccn1 ZINC000545783763 517364613 /nfs/dbraw/zinc/36/46/13/517364613.db2.gz ANFLXRMAVQWYSA-UHFFFAOYSA-N 0 3 355.354 2.647 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCN1C[C@@H](C)C[C@H](C)C1 ZINC000515524025 517393222 /nfs/dbraw/zinc/39/32/22/517393222.db2.gz UDRARHFPUDWUPH-KBPBESRZSA-N 0 3 369.487 2.550 20 5 FFBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@H](O)COCc1cccs1 ZINC000549156543 517428768 /nfs/dbraw/zinc/42/87/68/517428768.db2.gz HUAJNMXFQUTXNV-INIZCTEOSA-N 0 3 350.440 2.708 20 5 FFBDHN C[C@H](CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)Oc1ccc(F)cc1 ZINC000562993213 517567163 /nfs/dbraw/zinc/56/71/63/517567163.db2.gz AWAVUMZLMBWFEA-CZUORRHYSA-N 0 3 364.373 2.531 20 5 FFBDHN COC(=O)[C@@H]1CCCC[C@@]1(C)NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000538375512 517594142 /nfs/dbraw/zinc/59/41/42/517594142.db2.gz KJWSNAIMNWWPFT-KBXCAEBGSA-N 0 3 363.414 2.553 20 5 FFBDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000560249321 517656450 /nfs/dbraw/zinc/65/64/50/517656450.db2.gz KUYNNABZTDAIBZ-QGZVFWFLSA-N 0 3 361.373 2.775 20 5 FFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000542744739 517713707 /nfs/dbraw/zinc/71/37/07/517713707.db2.gz IETPOWHUPMYGRC-HIFRSBDPSA-N 0 3 369.487 2.562 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCCN(C(C)C)C(C)C)c1 ZINC000542749693 517715720 /nfs/dbraw/zinc/71/57/20/517715720.db2.gz OZYDYOLJPSXSJL-UHFFFAOYSA-N 0 3 357.476 2.609 20 5 FFBDHN C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000546540140 517716597 /nfs/dbraw/zinc/71/65/97/517716597.db2.gz SRKHJYDXAPSIHT-OLZOCXBDSA-N 0 3 351.422 2.953 20 5 FFBDHN C[C@@H]1C[C@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000553446419 517719749 /nfs/dbraw/zinc/71/97/49/517719749.db2.gz FQIIDKXWSVQGCJ-HIFRSBDPSA-N 0 3 354.410 2.769 20 5 FFBDHN CN(C)CCOc1cc(CNc2c(F)cc([N+](=O)[O-])cc2F)ccn1 ZINC000534244383 517802083 /nfs/dbraw/zinc/80/20/83/517802083.db2.gz WFDPQGJAAUVVMZ-UHFFFAOYSA-N 0 3 352.341 2.821 20 5 FFBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N1CCCC1 ZINC000534268730 517816904 /nfs/dbraw/zinc/81/69/04/517816904.db2.gz MYKKGPSSHGIMBC-CYBMUJFWSA-N 0 3 367.471 2.547 20 5 FFBDHN CN(C)Cc1ccccc1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000521714291 517837835 /nfs/dbraw/zinc/83/78/35/517837835.db2.gz RPYZQCGBCKBTPI-UHFFFAOYSA-N 0 3 371.393 2.609 20 5 FFBDHN COc1cc(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000553768748 517893117 /nfs/dbraw/zinc/89/31/17/517893117.db2.gz SZTYJEMKCCNRTC-XJKCOSOUSA-N 0 3 361.442 2.714 20 5 FFBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000553785596 517903948 /nfs/dbraw/zinc/90/39/48/517903948.db2.gz GXIBDXRTQQWTOC-DEYYWGMASA-N 0 3 372.469 2.971 20 5 FFBDHN NC(=O)[C@H](Cc1ccc(F)cc1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000543163771 517940667 /nfs/dbraw/zinc/94/06/67/517940667.db2.gz PCFOGBKIKIAZCL-SFHVURJKSA-N 0 3 359.401 2.743 20 5 FFBDHN C[C@H]1COCCN1C1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000522010338 517948271 /nfs/dbraw/zinc/94/82/71/517948271.db2.gz AGEFAQOIWYMNLW-ZDUSSCGKSA-N 0 3 353.850 2.933 20 5 FFBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000522091400 517981393 /nfs/dbraw/zinc/98/13/93/517981393.db2.gz BJUZBDKASQMFOH-ZDUSSCGKSA-N 0 3 362.455 2.637 20 5 FFBDHN CS[C@@H]1CN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C[C@H]1N(C)C ZINC000534827658 518047314 /nfs/dbraw/zinc/04/73/14/518047314.db2.gz GEEJJVZARFTBFM-NILFDRSVSA-N 0 3 369.512 2.579 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(CCN(C)C)CC(C)C)c1 ZINC000539513590 518084041 /nfs/dbraw/zinc/08/40/41/518084041.db2.gz PQJOXCBJTRAKEA-UHFFFAOYSA-N 0 3 351.447 2.718 20 5 FFBDHN Cc1cc(OCC(=O)NC[C@@H](c2ccccc2)N(C)C)ccc1[N+](=O)[O-] ZINC000563717709 518087662 /nfs/dbraw/zinc/08/76/62/518087662.db2.gz XHYUZDRZMLEIEG-SFHVURJKSA-N 0 3 357.410 2.701 20 5 FFBDHN CCN(CC)[C@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000522482653 518117631 /nfs/dbraw/zinc/11/76/31/518117631.db2.gz ZXZLVTHFIJLKTI-QGZVFWFLSA-N 0 3 373.457 2.726 20 5 FFBDHN Cc1n[nH]c(C(=O)NC[C@@H](c2ccc(CC(C)C)cc2)N(C)C)c1[N+](=O)[O-] ZINC000564029836 518274648 /nfs/dbraw/zinc/27/46/48/518274648.db2.gz PRKILFJVAYJIGO-INIZCTEOSA-N 0 3 373.457 2.858 20 5 FFBDHN Cc1ccc(F)c(CCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000567104281 518354471 /nfs/dbraw/zinc/35/44/71/518354471.db2.gz JQKRMVPAHPRQPS-UHFFFAOYSA-N 0 3 366.414 2.648 20 5 FFBDHN COc1ccc(OCCN2CCN(C)C3(CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000564223482 518359295 /nfs/dbraw/zinc/35/92/95/518359295.db2.gz NHVZNWLDMGGWAQ-UHFFFAOYSA-N 0 3 363.458 2.933 20 5 FFBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(C)C2(CCCCC2)C1 ZINC000578784646 518371623 /nfs/dbraw/zinc/37/16/23/518371623.db2.gz QTRNDRJKSYNSCC-HNNXBMFYSA-N 0 3 360.458 2.872 20 5 FFBDHN Cc1cccc(O[C@@H](C)CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000575981314 518371955 /nfs/dbraw/zinc/37/19/55/518371955.db2.gz GJJNSDFJMJQMTG-DOTOQJQBSA-N 0 3 360.410 2.700 20 5 FFBDHN CSc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)N(C)C)cc1 ZINC000572876975 518404396 /nfs/dbraw/zinc/40/43/96/518404396.db2.gz GOCXCRQVXQOOIB-OAHLLOKOSA-N 0 3 362.455 2.688 20 5 FFBDHN C[C@H]1CCSCCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000576129023 518444235 /nfs/dbraw/zinc/44/42/35/518444235.db2.gz KPMXUPUMFPTDHE-LBPRGKRZSA-N 0 3 351.428 2.720 20 5 FFBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1OCCN(C)C ZINC000582213668 518639656 /nfs/dbraw/zinc/63/96/56/518639656.db2.gz VKQHHKZQHIRGJM-UHFFFAOYSA-N 0 3 372.425 2.507 20 5 FFBDHN C[C@H](CNC[C@H](O)COc1cccc([N+](=O)[O-])c1)Oc1cccc(F)c1 ZINC000564854395 518655076 /nfs/dbraw/zinc/65/50/76/518655076.db2.gz LYZRRUYUSOORAK-CJNGLKHVSA-N 0 3 364.373 2.531 20 5 FFBDHN C[C@H](CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)Oc1cccc(F)c1 ZINC000564854396 518655194 /nfs/dbraw/zinc/65/51/94/518655194.db2.gz LYZRRUYUSOORAK-CZUORRHYSA-N 0 3 364.373 2.531 20 5 FFBDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000586842760 518662034 /nfs/dbraw/zinc/66/20/34/518662034.db2.gz ZBKZVSXEDWBNEN-QGZVFWFLSA-N 0 3 373.409 2.645 20 5 FFBDHN CN1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@@H]1Cc1ccccc1 ZINC000588053402 518711310 /nfs/dbraw/zinc/71/13/10/518711310.db2.gz KTLHEJXOGFLYCJ-KRWDZBQOSA-N 0 3 363.421 2.901 20 5 FFBDHN O=C(CCN[C@H]1COc2ccc(F)cc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000570711408 518742794 /nfs/dbraw/zinc/74/27/94/518742794.db2.gz ODPOSIANENMYQO-CQSZACIVSA-N 0 3 359.357 2.656 20 5 FFBDHN C[C@H]1[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000588771274 518826523 /nfs/dbraw/zinc/82/65/23/518826523.db2.gz QSRVJIABOBWDMP-KXBFYZLASA-N 0 3 353.422 2.917 20 5 FFBDHN C[C@H](N[C@@H]1CCN(C)[C@H]1c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000574061729 518970861 /nfs/dbraw/zinc/97/08/61/518970861.db2.gz CMDPTIREVVXOPK-KYNGSXCRSA-N 0 3 368.437 2.957 20 5 FFBDHN COC(=O)c1cc(C)nc(N[C@@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000582919209 518986902 /nfs/dbraw/zinc/98/69/02/518986902.db2.gz WJQOCVUZBJKSHE-OAHLLOKOSA-N 0 3 370.409 2.771 20 5 FFBDHN COC(=O)c1cccc(CN[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000571328631 519041159 /nfs/dbraw/zinc/04/11/59/519041159.db2.gz OYZDQQUIGOBXQZ-ZDUSSCGKSA-N 0 3 371.393 2.888 20 5 FFBDHN CCc1ccc(S(=O)(=O)N(C)[C@@H]2CCN(CC)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000577389890 519057349 /nfs/dbraw/zinc/05/73/49/519057349.db2.gz BXWSELGHVYGDNJ-XJKSGUPXSA-N 0 3 369.487 2.508 20 5 FFBDHN NC[C@H]1c2ccccc2CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000580446137 519182095 /nfs/dbraw/zinc/18/20/95/519182095.db2.gz WTHZMFBHAOIUQV-KRWDZBQOSA-N 0 3 374.828 2.745 20 5 FFBDHN CSCc1cccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000568873917 519262330 /nfs/dbraw/zinc/26/23/30/519262330.db2.gz PCJHKCMDGHNPBL-QGZVFWFLSA-N 0 3 362.451 2.987 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCNC[C@H](O)COc2ccccc2Cl)cc1 ZINC000566116308 519311540 /nfs/dbraw/zinc/31/15/40/519311540.db2.gz JWUSITITZVXYRB-AWEZNQCLSA-N 0 3 366.801 2.657 20 5 FFBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000572056758 519420610 /nfs/dbraw/zinc/42/06/10/519420610.db2.gz ZUNHPEZXHJRWBZ-MBNYWOFBSA-N 0 3 366.849 2.744 20 5 FFBDHN Cc1c(CNC(=O)CC2(N3CCOCC3)CCCC2)cccc1[N+](=O)[O-] ZINC000578125437 519430576 /nfs/dbraw/zinc/43/05/76/519430576.db2.gz KQSLWAJALPOFPT-UHFFFAOYSA-N 0 3 361.442 2.555 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H](NCCCN2CCC(O)CC2)C(F)(F)F)cc1 ZINC000566345756 519445670 /nfs/dbraw/zinc/44/56/70/519445670.db2.gz JLMQRCBCQAWHPW-OAHLLOKOSA-N 0 3 361.364 2.635 20 5 FFBDHN CCN(C[C@@H]1CCCN1CC)C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000566552991 519548233 /nfs/dbraw/zinc/54/82/33/519548233.db2.gz CSQNHMYKLNCIPQ-AWEZNQCLSA-N 0 3 365.430 2.558 20 5 FFBDHN COc1c(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000581213266 519579337 /nfs/dbraw/zinc/57/93/37/519579337.db2.gz YBGNYAITGNVNLH-YOEHRIQHSA-N 0 3 369.421 2.996 20 5 FFBDHN COc1cc(C(=O)N(C)CCCN(C)Cc2ccncc2)ccc1[N+](=O)[O-] ZINC000575322811 519587852 /nfs/dbraw/zinc/58/78/52/519587852.db2.gz WAOWMZAGXJAWSP-UHFFFAOYSA-N 0 3 372.425 2.593 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000602848465 519924275 /nfs/dbraw/zinc/92/42/75/519924275.db2.gz VNCCRDVNUCOIGI-OCCSQVGLSA-N 0 3 352.435 2.542 20 5 FFBDHN CN1C[C@@H]2CCCN(C(=O)c3c(Br)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000600038252 520011925 /nfs/dbraw/zinc/01/19/25/520011925.db2.gz ORRLJDMLHGXWIW-GXFFZTMASA-N 0 3 368.231 2.524 20 5 FFBDHN Cc1ccccc1CC1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000612678085 520086240 /nfs/dbraw/zinc/08/62/40/520086240.db2.gz ZGCRHXYNBYTPNO-IBGZPJMESA-N 0 3 356.422 2.817 20 5 FFBDHN Cn1cc(CN2C[C@@H]3CCC[C@]3(CO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600207208 520124365 /nfs/dbraw/zinc/12/43/65/520124365.db2.gz KPXLFWMTECVICF-QFBILLFUSA-N 0 3 356.426 2.590 20 5 FFBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000608905311 520159657 /nfs/dbraw/zinc/15/96/57/520159657.db2.gz BMFJPQXSVCICEV-TZMCWYRMSA-N 0 3 367.833 2.712 20 5 FFBDHN COC[C@H](CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)OC ZINC000594955279 520228430 /nfs/dbraw/zinc/22/84/30/520228430.db2.gz MLRJWXVKKUNLRG-HNNXBMFYSA-N 0 3 351.428 2.859 20 5 FFBDHN O=[N+]([O-])c1ccc(CNCc2ccc(CN3CC[C@H](O)C3)cc2)c(F)c1 ZINC000594975859 520239080 /nfs/dbraw/zinc/23/90/80/520239080.db2.gz VZOQVDXGURLHRT-SFHVURJKSA-N 0 3 359.401 2.590 20 5 FFBDHN CN1CCN(Cc2ccccc2)[C@H](CNCc2ccc([N+](=O)[O-])cc2)C1 ZINC000594993105 520246245 /nfs/dbraw/zinc/24/62/45/520246245.db2.gz BKXMMJCUIKBBKA-HXUWFJFHSA-N 0 3 354.454 2.501 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000595022685 520260488 /nfs/dbraw/zinc/26/04/88/520260488.db2.gz VBBOCMZCAMFIKB-BMGDILEWSA-N 0 3 363.458 2.897 20 5 FFBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000609346758 520290172 /nfs/dbraw/zinc/29/01/72/520290172.db2.gz OROBMDCDUSDMPP-HUUCEWRRSA-N 0 3 358.442 2.929 20 5 FFBDHN O=C(COc1cccc([N+](=O)[O-])c1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000603567785 520309654 /nfs/dbraw/zinc/30/96/54/520309654.db2.gz OHWAXJGQNDODJI-LJQANCHMSA-N 0 3 369.421 2.927 20 5 FFBDHN CCN1CCCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000609522433 520342677 /nfs/dbraw/zinc/34/26/77/520342677.db2.gz KYHHSACEENKCSA-LBPRGKRZSA-N 0 3 355.822 2.570 20 5 FFBDHN CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000597944994 520344854 /nfs/dbraw/zinc/34/48/54/520344854.db2.gz FZINUEJGPXUIFP-LBPRGKRZSA-N 0 3 356.220 2.524 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3cccc(F)c3)[C@H](N)C2)c1 ZINC000595225706 520360353 /nfs/dbraw/zinc/36/03/53/520360353.db2.gz NMHAAJWTCJACPI-NVXWUHKLSA-N 0 3 373.384 2.700 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)c1 ZINC000595256124 520375432 /nfs/dbraw/zinc/37/54/32/520375432.db2.gz BDHYSHWBSNEDOR-QGZVFWFLSA-N 0 3 357.366 2.517 20 5 FFBDHN CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCN(CC)C1 ZINC000598042839 520390775 /nfs/dbraw/zinc/39/07/75/520390775.db2.gz YWLLCJAEDMOUEE-CYBMUJFWSA-N 0 3 370.247 2.914 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@H](N2CCOCC2)CC1 ZINC000595471303 520492374 /nfs/dbraw/zinc/49/23/74/520492374.db2.gz ZBYGLEQHAINILF-INIZCTEOSA-N 0 3 353.850 2.935 20 5 FFBDHN CC(C)(C)OC(=O)CC1(NCc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000595549516 520545174 /nfs/dbraw/zinc/54/51/74/520545174.db2.gz HJEPDFMGNUQWGB-UHFFFAOYSA-N 0 3 350.415 2.965 20 5 FFBDHN CCCN1CC[C@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000595585875 520570728 /nfs/dbraw/zinc/57/07/28/520570728.db2.gz SGHGPBJNNZCSNQ-AWEZNQCLSA-N 0 3 354.838 2.574 20 5 FFBDHN Cc1cccc(C(=O)NC[C@@H]2CN(C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000592879680 520629893 /nfs/dbraw/zinc/62/98/93/520629893.db2.gz BJPUNGTZQVLOEE-AEFFLSMTSA-N 0 3 353.422 2.978 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000592883090 520633014 /nfs/dbraw/zinc/63/30/14/520633014.db2.gz WBMZDHQEFFHGFQ-QAPCUYQASA-N 0 3 369.421 2.679 20 5 FFBDHN CCCCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccc(C)o1 ZINC000610368243 520654943 /nfs/dbraw/zinc/65/49/43/520654943.db2.gz PYDQZVDCNOYKHN-GDBMZVCRSA-N 0 3 350.419 2.917 20 5 FFBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CCN(Cc2ccccc2)C1 ZINC000593012740 520684678 /nfs/dbraw/zinc/68/46/78/520684678.db2.gz YIGAHXAHLDCRKY-KRWDZBQOSA-N 0 3 357.385 2.667 20 5 FFBDHN CN(CCCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000593015039 520686078 /nfs/dbraw/zinc/68/60/78/520686078.db2.gz KUJXNTLMAQLLAM-UHFFFAOYSA-N 0 3 359.401 2.915 20 5 FFBDHN C[C@@H]1Cc2ccccc2N1C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000610485004 520709603 /nfs/dbraw/zinc/70/96/03/520709603.db2.gz HOCRKWNGNDOIFX-OAHLLOKOSA-N 0 3 355.442 2.707 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC([C@H]3CCCCO3)CC2)c1 ZINC000595785221 520721854 /nfs/dbraw/zinc/72/18/54/520721854.db2.gz CSYYINXGHKLDEV-IEBWSBKVSA-N 0 3 364.442 2.616 20 5 FFBDHN CC(C)[C@@H]1CN(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)CCN1 ZINC000598577823 520722083 /nfs/dbraw/zinc/72/20/83/520722083.db2.gz XZOHYKQLNRWBNM-RDJZCZTQSA-N 0 3 374.485 2.901 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595790886 520727720 /nfs/dbraw/zinc/72/77/20/520727720.db2.gz ZJUCSCFRNMUJNU-NUJGCVRESA-N 0 3 364.442 2.616 20 5 FFBDHN CCc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)N(C)C)cc1 ZINC000596055633 520882218 /nfs/dbraw/zinc/88/22/18/520882218.db2.gz UATFEEGDNJIKIJ-SFHVURJKSA-N 0 3 356.426 2.971 20 5 FFBDHN CC[C@H](CN1CCCC1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000610914480 520902317 /nfs/dbraw/zinc/90/23/17/520902317.db2.gz YVQCNLGJWWLHFZ-CYBMUJFWSA-N 0 3 370.247 2.962 20 5 FFBDHN Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)N2CCCC2)o1 ZINC000596109800 520918390 /nfs/dbraw/zinc/91/83/90/520918390.db2.gz KEQUZDGFNGOMGB-MRXNPFEDSA-N 0 3 358.398 2.844 20 5 FFBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCN1C1CCCCC1 ZINC000598975447 520954425 /nfs/dbraw/zinc/95/44/25/520954425.db2.gz ILGUCCZAGAGZNC-SFHVURJKSA-N 0 3 360.458 2.844 20 5 FFBDHN O=C(CNc1ccc2cnccc2c1[N+](=O)[O-])NCCN1CCCCCC1 ZINC000599079477 521019754 /nfs/dbraw/zinc/01/97/54/521019754.db2.gz GLCRENXVPOJKJU-UHFFFAOYSA-N 0 3 371.441 2.547 20 5 FFBDHN Cc1c([C@H](C)NC[C@H]2CN(Cc3ccncc3)CCO2)cccc1[N+](=O)[O-] ZINC000599088308 521023699 /nfs/dbraw/zinc/02/36/99/521023699.db2.gz QCEHDAOHFJXAMJ-WMZOPIPTSA-N 0 3 370.453 2.850 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](OCCN2CCCCC2)C1 ZINC000618465957 521081340 /nfs/dbraw/zinc/08/13/40/521081340.db2.gz AVTHZJIKIBKGNU-INIZCTEOSA-N 0 3 361.442 2.620 20 5 FFBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000599203755 521085636 /nfs/dbraw/zinc/08/56/36/521085636.db2.gz POODYXFDEQOCSJ-KRWDZBQOSA-N 0 3 360.458 2.796 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCCN(C[C@H]3CCCO3)CC2)cc1OC(F)F ZINC000611296515 521085876 /nfs/dbraw/zinc/08/58/76/521085876.db2.gz DWHMAXSQUOWSNV-CQSZACIVSA-N 0 3 371.384 2.887 20 5 FFBDHN CCN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000596546786 521125318 /nfs/dbraw/zinc/12/53/18/521125318.db2.gz UYNCYPLZYIGYQU-AWEZNQCLSA-N 0 3 354.838 2.526 20 5 FFBDHN CN(CCN1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000593882853 521270819 /nfs/dbraw/zinc/27/08/19/521270819.db2.gz KDTLJSFUMKIXJF-UHFFFAOYSA-N 0 3 370.247 2.915 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](c2ccncc2)C1 ZINC000593987389 521331591 /nfs/dbraw/zinc/33/15/91/521331591.db2.gz OWIDHWXYSDHKGX-OAHLLOKOSA-N 0 3 370.409 2.817 20 5 FFBDHN Cc1c(CNC(=O)Nc2ccc3c(c2)OCCNC3)cccc1[N+](=O)[O-] ZINC000599623591 521339066 /nfs/dbraw/zinc/33/90/66/521339066.db2.gz GWYYSDRYIHSQHY-UHFFFAOYSA-N 0 3 356.382 2.707 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](CC(=O)OC(C)C)C(C)C ZINC000594038521 521367094 /nfs/dbraw/zinc/36/70/94/521367094.db2.gz BMSHFHDTAQZAMM-MRXNPFEDSA-N 0 3 365.430 2.798 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599664459 521377168 /nfs/dbraw/zinc/37/71/68/521377168.db2.gz NVPYQZDHSCTMJX-BXKDBHETSA-N 0 3 368.231 2.570 20 5 FFBDHN COC(=O)C1C[C@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000599695338 521407116 /nfs/dbraw/zinc/40/71/16/521407116.db2.gz LLIWGTHXZWPBLP-STQMWFEESA-N 0 3 363.414 2.585 20 5 FFBDHN Cc1ccc2[nH]c(CNC3CCN(c4ccc([N+](=O)[O-])nc4)CC3)nc2c1 ZINC000602558502 521412601 /nfs/dbraw/zinc/41/26/01/521412601.db2.gz BWJSAXALSRRRKB-UHFFFAOYSA-N 0 3 366.425 2.933 20 5 FFBDHN Cc1ccc2nc(CNC3CCN(c4ccc([N+](=O)[O-])nc4)CC3)[nH]c2c1 ZINC000602558502 521412607 /nfs/dbraw/zinc/41/26/07/521412607.db2.gz BWJSAXALSRRRKB-UHFFFAOYSA-N 0 3 366.425 2.933 20 5 FFBDHN CC(=O)N1CCC[C@@H](CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602637936 521451407 /nfs/dbraw/zinc/45/14/07/521451407.db2.gz KOWPEXQDFOUZSM-LBPRGKRZSA-N 0 3 359.348 2.962 20 5 FFBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594195338 521461073 /nfs/dbraw/zinc/46/10/73/521461073.db2.gz FWGHRDIXEQXOAH-ZWKOTPCHSA-N 0 3 356.426 2.752 20 5 FFBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000594199234 521465323 /nfs/dbraw/zinc/46/53/23/521465323.db2.gz IGRAZEJQHLSKPD-QZTJIDSGSA-N 0 3 369.425 2.527 20 5 FFBDHN C[C@@H](Cc1cnn(C)c1)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602685105 521478802 /nfs/dbraw/zinc/47/88/02/521478802.db2.gz YKPBPSARJMQKMT-QMMMGPOBSA-N 0 3 359.249 2.873 20 5 FFBDHN C[C@@H](O)[C@@H](NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1F ZINC000602697828 521483253 /nfs/dbraw/zinc/48/32/53/521483253.db2.gz IVYYXQFGYSJPFQ-BFUOFWGJSA-N 0 3 374.416 2.809 20 5 FFBDHN Nc1c(NC(=O)NC2CCN(C3CC3)CC2)cc(Cl)cc1[N+](=O)[O-] ZINC000597093686 521499868 /nfs/dbraw/zinc/49/98/68/521499868.db2.gz IGEPSFBVKGSVCV-UHFFFAOYSA-N 0 3 353.810 2.579 20 5 FFBDHN COC(=O)[C@@]1(C)CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000602728695 521500253 /nfs/dbraw/zinc/50/02/53/521500253.db2.gz FVXJMILMBSRTKF-DJJJIMSYSA-N 0 3 372.425 2.626 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000602826205 521554429 /nfs/dbraw/zinc/55/44/29/521554429.db2.gz MYGLKDFFLBHNMZ-OAHLLOKOSA-N 0 3 358.446 2.512 20 5 FFBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000619583812 521783912 /nfs/dbraw/zinc/78/39/12/521783912.db2.gz OKCRBKZVMLLPHD-CVEARBPZSA-N 0 3 361.442 2.757 20 5 FFBDHN Cn1cc([C@]2(CNCc3ccc(Cl)cc3[N+](=O)[O-])CCCO2)cn1 ZINC000898049571 735307082 /nfs/dbraw/zinc/30/70/82/735307082.db2.gz JETCQRLFNRKDLN-MRXNPFEDSA-N 0 3 350.806 2.777 20 5 FFBDHN CC(COC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)(C)C)[N+](=O)[O-] ZINC000860776707 730546229 /nfs/dbraw/zinc/54/62/29/730546229.db2.gz HGNJZSKLVVEAGU-OCCSQVGLSA-N 0 3 352.387 2.536 20 5 FFBDHN CN1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CCC1(C)C ZINC000871159303 731601245 /nfs/dbraw/zinc/60/12/45/731601245.db2.gz RGQJKEMTMTWLFM-UHFFFAOYSA-N 0 3 370.247 2.914 20 5 FFBDHN C[C@H](NC[C@]1(N2CCOCC2)CCSC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872028110 731722067 /nfs/dbraw/zinc/72/20/67/731722067.db2.gz PFQINWDTSPBYNN-SUMWQHHRSA-N 0 3 369.462 2.592 20 5 FFBDHN COC[C@H](NC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(F)c(F)c1 ZINC000877132867 732327509 /nfs/dbraw/zinc/32/75/09/732327509.db2.gz PIYCORBXDCVQHG-PPUFBPAQSA-N 0 3 352.341 2.750 20 5 FFBDHN CC(C)[C@H](C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])N(C)C ZINC000881863573 733122348 /nfs/dbraw/zinc/12/23/48/733122348.db2.gz BWXULCSXQWKDIH-CYBMUJFWSA-N 0 3 358.236 2.560 20 5 FFBDHN COC[C@@H](NCc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000883295406 733361400 /nfs/dbraw/zinc/36/14/00/733361400.db2.gz HLAAGDFHPUJXTA-TZMCWYRMSA-N 0 3 373.247 2.889 20 5 FFBDHN COCCN(CCN(C)C)C(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C ZINC000888288420 734032396 /nfs/dbraw/zinc/03/23/96/734032396.db2.gz LSJOHXCKIJEHBK-UHFFFAOYSA-N 0 3 358.826 2.599 20 5 FFBDHN COc1ccc(CNC[C@](C)(O)C(F)(F)C(F)(F)F)cc1[N+](=O)[O-] ZINC000899872659 735564029 /nfs/dbraw/zinc/56/40/29/735564029.db2.gz DKPXZDXFAQPXIM-NSHDSACASA-N 0 3 358.263 2.642 20 5 FFBDHN COc1cc([C@H](C)NC[C@@H]2CC[C@@]3(CO[C@H](C)C3)O2)cc([N+](=O)[O-])c1 ZINC000903221760 736058347 /nfs/dbraw/zinc/05/83/47/736058347.db2.gz SRJJOMTTXOQILD-VNVHMNPZSA-N 0 3 350.415 2.981 20 5 FFBDHN CCN(C[C@@H]1CCOC1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000764197671 737000764 /nfs/dbraw/zinc/00/07/64/737000764.db2.gz PQEPPNYUUJSXAO-RYUDHWBXSA-N 0 3 355.822 2.934 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCN(CCc3cccs3)CC2)c2nonc21 ZINC000919964941 737884724 /nfs/dbraw/zinc/88/47/24/737884724.db2.gz NWEBXQJKASVGCC-UHFFFAOYSA-N 0 3 359.411 2.557 20 5 FFBDHN C[C@H]1[C@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCN1C ZINC000922226256 738108074 /nfs/dbraw/zinc/10/80/74/738108074.db2.gz USWXYTVQZPSAJK-TVQRCGJNSA-N 0 3 360.336 2.505 20 5 FFBDHN C[C@@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C)C1 ZINC000778231248 738365249 /nfs/dbraw/zinc/36/52/49/738365249.db2.gz FKQDNZCHWLLUPM-OLZOCXBDSA-N 0 3 355.385 2.923 20 5 FFBDHN CCN(CC)C[C@@H](C)NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000784721090 738914554 /nfs/dbraw/zinc/91/45/54/738914554.db2.gz GAMXPGVRGWDRRT-LLVKDONJSA-N 0 3 363.867 2.565 20 5 FFBDHN O=C(NC[C@@H]1CCN1C1CCOCC1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000930160743 739066944 /nfs/dbraw/zinc/06/69/44/739066944.db2.gz XWUTVCFAISUQPK-ZDUSSCGKSA-N 0 3 368.821 2.623 20 5 FFBDHN CC(C)N1CCN(CCCOC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000787588603 739149090 /nfs/dbraw/zinc/14/90/90/739149090.db2.gz CYNHHNBFCKWMBU-UHFFFAOYSA-N 0 3 369.849 2.821 20 5 FFBDHN C[C@@H](NCCOc1cccc(S(C)(=O)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000932179153 739399168 /nfs/dbraw/zinc/39/91/68/739399168.db2.gz DUVDJVNHCJGCKN-CYBMUJFWSA-N 0 3 364.423 2.728 20 5 FFBDHN CN1CCN(CCNc2cc(Br)ccc2[N+](=O)[O-])CC1(C)C ZINC000799325780 740408680 /nfs/dbraw/zinc/40/86/80/740408680.db2.gz KWPOHWGKIMFBAB-UHFFFAOYSA-N 0 3 371.279 2.795 20 5 FFBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])nn1-c1ccc(Br)cc1 ZINC000813100098 741676780 /nfs/dbraw/zinc/67/67/80/741676780.db2.gz MGSZZEYGKXFTKR-SNVBAGLBSA-N 0 3 368.187 2.765 20 5 FFBDHN COc1ccc(-c2nc(C(=O)OCC(C)[N+](=O)[O-])cs2)cc1OC ZINC000813107124 741677967 /nfs/dbraw/zinc/67/79/67/741677967.db2.gz KCGBYRQIAYOCCO-SECBINFHSA-N 0 3 352.368 2.649 20 5 FFBDHN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)OCC(C)[N+](=O)[O-])c12 ZINC000813109200 741678036 /nfs/dbraw/zinc/67/80/36/741678036.db2.gz GPYWJPJYVHALTK-VIFPVBQESA-N 0 3 360.395 2.827 20 5 FFBDHN CC(COC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1)[N+](=O)[O-] ZINC000813111737 741678440 /nfs/dbraw/zinc/67/84/40/741678440.db2.gz KRLNUNNPTITAMH-TZMCWYRMSA-N 0 3 352.387 2.503 20 5 FFBDHN CCn1c(SCC(=O)OCC(C)[N+](=O)[O-])nnc1-c1ccccc1C ZINC000813115110 741678898 /nfs/dbraw/zinc/67/88/98/741678898.db2.gz KTCDMRXMFJMTQF-LBPRGKRZSA-N 0 3 364.427 2.574 20 5 FFBDHN CC1(C)Oc2ccsc2[C@H](NCCOc2cccc([N+](=O)[O-])c2)[C@H]1O ZINC000821312223 742608475 /nfs/dbraw/zinc/60/84/75/742608475.db2.gz XQILDZWVMOQRKU-GOEBONIOSA-N 0 3 364.423 2.898 20 5 FFBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN[C@H]1CCCN(CCCO)C1 ZINC000824583173 743111249 /nfs/dbraw/zinc/11/12/49/743111249.db2.gz IQPUCBIRMLPYET-ZDUSSCGKSA-N 0 3 362.257 2.838 20 5 FFBDHN CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(Cc2ccc(F)c(Cl)c2)CC1 ZINC001045436987 743274194 /nfs/dbraw/zinc/27/41/94/743274194.db2.gz ZVZHFGDYBNTRLZ-IUODEOHRSA-N 0 3 369.824 2.615 20 5 FFBDHN CC(C)(C)OC(=O)[C@]1(C)CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000839106001 746775753 /nfs/dbraw/zinc/77/57/53/746775753.db2.gz ZGIAADXVXYTMFI-CRAIPNDOSA-N 0 3 350.415 2.682 20 5 FFBDHN C[C@]1(NCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000839550070 746853141 /nfs/dbraw/zinc/85/31/41/746853141.db2.gz GVVOKNFWJFUIRE-CVEARBPZSA-N 0 3 353.806 2.734 20 5 FFBDHN NC(=O)[C@@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000839641337 746879388 /nfs/dbraw/zinc/87/93/88/746879388.db2.gz RVTLEVBUAJNBFZ-LSDHHAIUSA-N 0 3 359.813 2.949 20 5 FFBDHN CC([C@H](OC(=O)CN(C)[C@H]1CCSC1)c1ccccc1F)[N+](=O)[O-] ZINC000845875555 748342319 /nfs/dbraw/zinc/34/23/19/748342319.db2.gz LQAYOUWIPYLYEG-WQGACYEGSA-N 0 3 356.419 2.513 20 5 FFBDHN COCc1nc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cs1 ZINC000845878084 748342931 /nfs/dbraw/zinc/34/29/31/748342931.db2.gz TVPSCMNCTLGBMA-OTYXRUKQSA-N 0 3 354.359 2.992 20 5 FFBDHN CN(CCN1CCCCC1)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000846662025 748522260 /nfs/dbraw/zinc/52/22/60/748522260.db2.gz IZYRUOZKVZARBT-UHFFFAOYSA-N 0 3 370.247 2.915 20 5 FFBDHN CN1CCCC[C@@H]1CNC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000044564360 845095995 /nfs/dbraw/zinc/09/59/95/845095995.db2.gz DJIOJIZONJEASN-LLVKDONJSA-N 0 3 356.220 2.571 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCc1cccc(OCC(=O)N(C)C)c1 ZINC000873015294 1013348358 /nfs/dbraw/zinc/34/83/58/1013348358.db2.gz IJWOAPXVZNTBTL-UHFFFAOYSA-N 0 3 371.437 2.968 20 5 FFBDHN O=[N+]([O-])c1ccc(F)c(Br)c1O[C@H]1CNCCC1(F)F ZINC001218453744 970217916 /nfs/dbraw/zinc/21/79/16/970217916.db2.gz LIBQAUUUKFXBGF-QMMMGPOBSA-N 0 3 355.110 2.872 20 5 FFBDHN CCN1CCCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)[C@@H](C)C1 ZINC000910270149 981879474 /nfs/dbraw/zinc/87/94/74/981879474.db2.gz KXVPDQBLAKPZSF-ZDUSSCGKSA-N 0 3 357.414 2.541 20 5 FFBDHN O=C(Nc1ccc(CN2CCC(O)CC2)cc1)c1cc(F)ccc1[N+](=O)[O-] ZINC000763136492 989093455 /nfs/dbraw/zinc/09/34/55/989093455.db2.gz DPGOLEUBHCFJRS-UHFFFAOYSA-N 0 3 373.384 2.943 20 5 FFBDHN COC(=O)N1CCC(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000796500523 1015520790 /nfs/dbraw/zinc/52/07/90/1015520790.db2.gz OBFFJVZCJIXYFL-UHFFFAOYSA-N 0 3 373.356 2.764 20 5 FFBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000923310611 991063501 /nfs/dbraw/zinc/06/35/01/991063501.db2.gz LJKHRRSRIRXKMQ-DLBZAZTESA-N 0 3 372.469 2.506 20 5 FFBDHN CC1(C)Nc2ccccc2[C@@H]1NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923425104 991135186 /nfs/dbraw/zinc/13/51/86/991135186.db2.gz FGXVBQPMEHBCTG-UGSOOPFHSA-N 0 3 357.410 2.870 20 5 FFBDHN CN(Cc1ccc2cc[nH]c2c1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000879725283 1015654828 /nfs/dbraw/zinc/65/48/28/1015654828.db2.gz XUEGNDGXMJUWFQ-MRXNPFEDSA-N 0 3 355.394 2.948 20 5 FFBDHN O=[N+]([O-])c1cnn(CCN[C@@H](c2ccccc2)[C@H](O)c2ccccc2)c1 ZINC000808787042 994263496 /nfs/dbraw/zinc/26/34/96/994263496.db2.gz MKDUIZGLASCIQZ-RBUKOAKNSA-N 0 3 352.394 2.856 20 5 FFBDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001170687372 995539234 /nfs/dbraw/zinc/53/92/34/995539234.db2.gz IKGDCJULKFGWRB-NSHDSACASA-N 0 3 363.377 2.711 20 5 FFBDHN Cc1ccc([C@H](C)N[C@H](C)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1[N+](=O)[O-] ZINC000813330184 995666142 /nfs/dbraw/zinc/66/61/42/995666142.db2.gz UMGOASWIBJZVPR-NEPJUHHUSA-N 0 3 368.393 2.845 20 5 FFBDHN O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823990011 996772891 /nfs/dbraw/zinc/77/28/91/996772891.db2.gz GAUQQLSNMNVWAT-RTBURBONSA-N 0 3 369.421 2.582 20 5 FFBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)N1CCCC[C@H]1C ZINC000825460550 997386730 /nfs/dbraw/zinc/38/67/30/997386730.db2.gz AHPAKNJVZGSREG-OLZOCXBDSA-N 0 3 366.437 2.793 20 5 FFBDHN CC([C@H](OC(=O)CN1CCCCCCC1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845878820 998677677 /nfs/dbraw/zinc/67/76/77/998677677.db2.gz WDBBREWUESUFMX-UGSOOPFHSA-N 0 3 366.389 2.868 20 5 FFBDHN CC([C@@H](OC(=O)CO[C@@H](C)c1nccn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845884101 998678379 /nfs/dbraw/zinc/67/83/79/998678379.db2.gz XKTZAVMGCQIBGG-MQIPJXDCSA-N 0 3 365.361 2.587 20 5 FFBDHN Cc1c(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])nn2c1OCCC2 ZINC000845882675 998678468 /nfs/dbraw/zinc/67/84/68/998678468.db2.gz PMYSPVAEZFLNAG-IAQYHMDHSA-N 0 3 363.345 2.676 20 5 FFBDHN CC(C)N(C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H](O)COc1ccccc1 ZINC000770044654 1000663342 /nfs/dbraw/zinc/66/33/42/1000663342.db2.gz RHXJSRSMLDLSKA-ICSRJNTNSA-N 0 3 374.437 2.779 20 5 FFBDHN CN(C)c1cc(F)c(C(=O)NCCN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000791210058 1002620319 /nfs/dbraw/zinc/62/03/19/1002620319.db2.gz SSMLMWMQCYAFES-UHFFFAOYSA-N 0 3 374.416 2.662 20 5 FFBDHN Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)N(C)C)cc1 ZINC000791339041 1002658087 /nfs/dbraw/zinc/65/80/87/1002658087.db2.gz HAZLVRLFLUFMTF-QGZVFWFLSA-N 0 3 360.389 2.657 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000791395343 1002689703 /nfs/dbraw/zinc/68/97/03/1002689703.db2.gz RQTYWCKWLFZGDE-PXAZEXFGSA-N 0 3 372.400 2.566 20 5 FFBDHN C[C@@H](CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC001184839249 1002734490 /nfs/dbraw/zinc/73/44/90/1002734490.db2.gz FOODNWFTRLULNS-KBPBESRZSA-N 0 3 358.442 2.979 20 5 FFBDHN COc1ccc(C[C@H](C)N[C@@H]2Cc3ccccc3NC2=O)c([N+](=O)[O-])c1 ZINC001170296646 1003090222 /nfs/dbraw/zinc/09/02/22/1003090222.db2.gz HFMPJJPELQXQCP-YVEFUNNKSA-N 0 3 355.394 2.687 20 5 FFBDHN COc1ccc(C[C@H](C)N2CC[C@@H](Oc3ncncc3C)C2)c([N+](=O)[O-])c1 ZINC001170355008 1003123049 /nfs/dbraw/zinc/12/30/49/1003123049.db2.gz UIAJYXLOWWALAS-WMLDXEAASA-N 0 3 372.425 2.786 20 5 FFBDHN CCOC(=O)C1=C(Nc2nccc3c2ccc(C)c3[N+](=O)[O-])CCNC1 ZINC001170513780 1004462819 /nfs/dbraw/zinc/46/28/19/1004462819.db2.gz ABPCJBAQCGNRLG-UHFFFAOYSA-N 0 3 356.382 2.674 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(c3nnc4ccccn43)CC2)cc1 ZINC000776581913 1005962813 /nfs/dbraw/zinc/96/28/13/1005962813.db2.gz IYINWVKVYXPLGH-KRWDZBQOSA-N 0 3 367.409 2.551 20 5 FFBDHN CC(=O)c1ccc2c(c1)CCN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000776592939 1006008864 /nfs/dbraw/zinc/00/88/64/1006008864.db2.gz DIRPAAJJFPDALI-HXUWFJFHSA-N 0 3 354.406 2.932 20 5 FFBDHN C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CCN1Cc1ccccc1 ZINC000813824384 1006046182 /nfs/dbraw/zinc/04/61/82/1006046182.db2.gz YCAFVTAHLDVJSP-PXAZEXFGSA-N 0 3 372.400 2.709 20 5 FFBDHN COC(=O)Cc1ccc(N2CCN(C)C3(CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000853655283 1006494173 /nfs/dbraw/zinc/49/41/73/1006494173.db2.gz DWXZELXOLRKZAH-UHFFFAOYSA-N 0 3 361.442 2.765 20 5 FFBDHN Cc1cc(C(=O)NC[C@H](C)N(C)Cc2ccccc2)c(N)c([N+](=O)[O-])c1 ZINC000111631326 1006544885 /nfs/dbraw/zinc/54/48/85/1006544885.db2.gz BQHBKYRPYICCOK-AWEZNQCLSA-N 0 3 356.426 2.736 20 5 FFBDHN C[C@@H](N[C@@H](C)Cn1ncc2ccccc2c1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815598998 1006704431 /nfs/dbraw/zinc/70/44/31/1006704431.db2.gz IRDNOOWGAHVTPJ-QWHCGFSZSA-N 0 3 367.409 2.626 20 5 FFBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000855166198 1007149379 /nfs/dbraw/zinc/14/93/79/1007149379.db2.gz FHACLQSDWVSFDC-OAHLLOKOSA-N 0 3 360.458 2.798 20 5 FFBDHN O=C1CCCN1c1cccc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000818955622 1007993407 /nfs/dbraw/zinc/99/34/07/1007993407.db2.gz BUADKGWJLFJNLH-SFHVURJKSA-N 0 3 355.394 2.545 20 5 FFBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001136409075 1008407336 /nfs/dbraw/zinc/40/73/36/1008407336.db2.gz IOZTWRRHNUFPHM-HIFRSBDPSA-N 0 3 354.410 2.742 20 5 FFBDHN CC(COC(=O)C1(CNC(=O)OCc2ccccc2)CCCC1)[N+](=O)[O-] ZINC000860777918 1009148250 /nfs/dbraw/zinc/14/82/50/1009148250.db2.gz ZJFQQWLMMGFNDS-CQSZACIVSA-N 0 3 364.398 2.682 20 5 FFBDHN C[C@@H](N[C@@H]1CCc2ccccc2OC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000509520288 1009533617 /nfs/dbraw/zinc/53/36/17/1009533617.db2.gz CHOMXCUOLPDUSM-CZUORRHYSA-N 0 3 355.394 2.905 20 5 FFBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000794589869 1010410054 /nfs/dbraw/zinc/41/00/54/1010410054.db2.gz BUKFSCJKFAHANU-MBNRZODZSA-N 0 3 367.405 2.813 20 5 FFBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2cccc3c2OCCO3)n1 ZINC000774244602 1010541280 /nfs/dbraw/zinc/54/12/80/1010541280.db2.gz QLJXEHYFPAWXSG-LSDHHAIUSA-N 0 3 358.398 2.836 20 5 FFBDHN Cc1ccc(CN(CCN(C)C)C(=O)Cc2cccc(F)c2[N+](=O)[O-])o1 ZINC000865041309 1010692463 /nfs/dbraw/zinc/69/24/63/1010692463.db2.gz RQJZFGQBEACAGJ-UHFFFAOYSA-N 0 3 363.389 2.768 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CCN3CC(F)(F)C[C@H]3C1)CC2 ZINC001172922469 1012102329 /nfs/dbraw/zinc/10/23/29/1012102329.db2.gz XZYXFOBDQVRXDK-WBVHZDCISA-N 0 3 351.397 2.867 20 5 FFBDHN O=C1NCc2ccccc2[C@H]1N[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912749 1012125624 /nfs/dbraw/zinc/12/56/24/1012125624.db2.gz OZFMVFZKWMMNLV-QFBILLFUSA-N 0 3 351.406 2.803 20 5 FFBDHN C[C@H](N)c1nccn1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173006131 1012174301 /nfs/dbraw/zinc/17/43/01/1012174301.db2.gz NBWDTQZHLPJSMY-JTQLQIEISA-N 0 3 351.357 2.931 20 5 FFBDHN CCN(CCn1cccn1)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173195111 1012337129 /nfs/dbraw/zinc/33/71/29/1012337129.db2.gz BZCBEQAVKOKLOX-CYBMUJFWSA-N 0 3 350.394 2.892 20 5 FFBDHN CCN1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3N)cc2)CC1 ZINC000749334008 1020937533 /nfs/dbraw/zinc/93/75/33/1020937533.db2.gz BAOOWVIOECRPKK-UHFFFAOYSA-N 0 3 369.425 2.571 20 5 FFBDHN CC[C@@H](C)NC(=O)c1cccc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000749676896 1021019648 /nfs/dbraw/zinc/01/96/48/1021019648.db2.gz MZQZMTVFQKIVJZ-AUUYWEPGSA-N 0 3 371.437 2.946 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2ccncc2C(F)(F)F)c1 ZINC001120511389 1023344878 /nfs/dbraw/zinc/34/48/78/1023344878.db2.gz LIYBZOPQHLYYNN-ZDUSSCGKSA-N 0 3 371.315 2.538 20 5 FFBDHN Cn1c(-c2ccc([N+](=O)[O-])s2)nnc1N1CCN(C2CCCC2)CC1 ZINC001121268391 1023680314 /nfs/dbraw/zinc/68/03/14/1023680314.db2.gz OUCZKFAQSVGCPY-UHFFFAOYSA-N 0 3 362.459 2.516 20 5 FFBDHN CC(C)(C)OC(=O)c1ccc(O[C@H]2CNCCC2(F)F)c([N+](=O)[O-])c1 ZINC001218450934 1033161143 /nfs/dbraw/zinc/16/11/43/1033161143.db2.gz ABIVCHVVHHQOIU-ZDUSSCGKSA-N 0 3 358.341 2.926 20 5 FFBDHN COc1cc(O[C@H]2C[NH2+]CC[C@H]2C)c2c(c1)oc1c([O-])ccc(O)c1c2=O ZINC001218480578 1033173462 /nfs/dbraw/zinc/17/34/62/1033173462.db2.gz DVUIMVUKRQBMKQ-HWPZZCPQSA-N 0 3 371.389 2.743 20 5 FFBDHN Cc1c([N+](=O)[O-])cc(C(=O)NCCN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000193704922 1024643399 /nfs/dbraw/zinc/64/33/99/1024643399.db2.gz BJNDAPMEDNSJFJ-UHFFFAOYSA-N 0 3 372.381 2.673 20 5 FFBDHN COc1cccc(C(=O)N2C[C@@H](N(C)C)Cc3ccccc32)c1[N+](=O)[O-] ZINC000194325571 1024780139 /nfs/dbraw/zinc/78/01/39/1024780139.db2.gz NXCPNUHKDPVXLD-AWEZNQCLSA-N 0 3 355.394 2.737 20 5 FFBDHN COc1ccc(OC)c([C@H](O)CN(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000796110450 1028473681 /nfs/dbraw/zinc/47/36/81/1028473681.db2.gz CWGALJCHDYRLFV-GOSISDBHSA-N 0 3 360.410 2.820 20 5 FFBDHN NCc1cn(-c2nnc(-c3ccccc3[N+](=O)[O-])cc2C(F)(F)F)cn1 ZINC001162298371 1028494448 /nfs/dbraw/zinc/49/44/48/1028494448.db2.gz GKTQWZYJGZYAJY-UHFFFAOYSA-N 0 3 364.287 2.715 20 5 FFBDHN C[C@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000780763423 1028800304 /nfs/dbraw/zinc/80/03/04/1028800304.db2.gz BZCASKLTVYQNMG-CRAIPNDOSA-N 0 3 357.458 2.882 20 5 FFBDHN C[C@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001156332114 1029149968 /nfs/dbraw/zinc/14/99/68/1029149968.db2.gz DJOKKRVZWNATSW-YJBOKZPZSA-N 0 3 356.426 2.575 20 5 FFBDHN NCc1nn(-c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)c2ccccc12 ZINC001156864401 1029382799 /nfs/dbraw/zinc/38/27/99/1029382799.db2.gz HFLHGWDNQPWRDM-UHFFFAOYSA-N 0 3 354.757 2.989 20 5 FFBDHN C[C@@](CO)(NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1 ZINC000782496989 1029721403 /nfs/dbraw/zinc/72/14/03/1029721403.db2.gz YVQXGWDFYNUNFD-SFHVURJKSA-N 0 3 361.373 2.560 20 5 FFBDHN O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCO[C@@H](CN2CCCC2)C1 ZINC001158309052 1029793545 /nfs/dbraw/zinc/79/35/45/1029793545.db2.gz AGGIOEXTIZWLSW-JTQLQIEISA-N 0 3 361.229 2.598 20 5 FFBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001142303915 1030288498 /nfs/dbraw/zinc/28/84/98/1030288498.db2.gz WQFDCPSJKCYXSA-JQWIXIFHSA-N 0 3 363.805 2.537 20 5 FFBDHN COc1ccc(CO[C@H]2CC[C@@H](N3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC001223649088 1033535879 /nfs/dbraw/zinc/53/58/79/1033535879.db2.gz ODRZKSWLWGAHTI-IYBDPMFKSA-N 0 3 350.415 2.763 20 5 FFBDHN CN1CCC2(CCCN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000831723215 1034243105 /nfs/dbraw/zinc/24/31/05/1034243105.db2.gz LMWHRFLKTBKAPS-UHFFFAOYSA-N 0 3 373.453 2.892 20 5 FFBDHN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CC1 ZINC000834314909 1035361102 /nfs/dbraw/zinc/36/11/02/1035361102.db2.gz ROYHDINRSJRRGN-HNAYVOBHSA-N 0 3 372.469 2.607 20 5 FFBDHN CCN1CC[C@H](Oc2c3nccc4c5ccccc5n(c43)c(=O)c2OC)C1 ZINC001234718999 1037155167 /nfs/dbraw/zinc/15/51/67/1037155167.db2.gz WOZCBZIVTRBZQH-ZDUSSCGKSA-N 0 3 363.417 2.920 20 5 FFBDHN CC(C)Oc1ncnc2c1CCN([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254597594 1040826757 /nfs/dbraw/zinc/82/67/57/1040826757.db2.gz TWDNACCMJJHNQO-QGZVFWFLSA-N 0 3 368.437 2.740 20 5 FFBDHN Cc1ccnc(O[C@H]2CCCN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)n1 ZINC001254610865 1040840212 /nfs/dbraw/zinc/84/02/12/1040840212.db2.gz MMJYSWPXUFCDSQ-ROUUACIJSA-N 0 3 354.410 2.704 20 5 FFBDHN CN1CCCC[C@H]1CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001313376432 1044337280 /nfs/dbraw/zinc/33/72/80/1044337280.db2.gz PORJMMRTUKBVMV-WMZOPIPTSA-N 0 3 360.458 2.968 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CNC[C@@]2(O)CCOC2)o1 ZINC001319480587 1045164564 /nfs/dbraw/zinc/16/45/64/1045164564.db2.gz CLQBBTOYZWUFEV-INIZCTEOSA-N 0 3 352.774 2.749 20 5 FFBDHN O=C(Nc1ccc2c(c1)OCCNC2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001331481369 1047961370 /nfs/dbraw/zinc/96/13/70/1047961370.db2.gz TXJHGXAMPQFZAW-UHFFFAOYSA-N 0 3 354.366 2.625 20 5 FFBDHN CC(C)n1ncc2c1[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC001329139599 1048592842 /nfs/dbraw/zinc/59/28/42/1048592842.db2.gz AYJBHBLXOHHRFQ-HZPDHXFCSA-N 0 3 374.441 2.779 20 5 FFBDHN COC(=O)COc1ccc(CN(C)CCOc2cccc([N+](=O)[O-])c2)cc1 ZINC001307699097 1052338477 /nfs/dbraw/zinc/33/84/77/1052338477.db2.gz UAOJYGVJJSOFOZ-UHFFFAOYSA-N 0 3 374.393 2.657 20 5 FFBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001308140016 1052415763 /nfs/dbraw/zinc/41/57/63/1052415763.db2.gz IXTRLTFLSGXLDB-LSDHHAIUSA-N 0 3 374.268 2.933 20 5 FFBDHN COC(=O)COc1ccc(CN[C@@H](C)COc2ccccc2)cc1[N+](=O)[O-] ZINC001308229124 1052433715 /nfs/dbraw/zinc/43/37/15/1052433715.db2.gz SPBWWJRZYMZAIY-AWEZNQCLSA-N 0 3 374.393 2.704 20 5 FFBDHN COc1cc(CNC[C@@H](O)Cc2cccc(Cl)c2)c([N+](=O)[O-])cc1O ZINC001308510848 1052463135 /nfs/dbraw/zinc/46/31/35/1052463135.db2.gz YJLZIQQEKZBQMG-AWEZNQCLSA-N 0 3 366.801 2.656 20 5 FFBDHN CC(COC(=O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2)[N+](=O)[O-] ZINC001346122429 1052758117 /nfs/dbraw/zinc/75/81/17/1052758117.db2.gz AHOOJARMFJUJSQ-LLVKDONJSA-N 0 3 350.371 2.806 20 5 FFBDHN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccc3c(c1)OCCNC3)CC2 ZINC001357587150 1055955796 /nfs/dbraw/zinc/95/57/96/1055955796.db2.gz HGRCMBKYGDKYPX-UHFFFAOYSA-N 0 3 353.378 2.588 20 5 FFBDHN COC(=O)[C@@H]1C[C@H]1[C@@H](C)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001462547114 1061665717 /nfs/dbraw/zinc/66/57/17/1061665717.db2.gz DNKUMILCNNAMAE-JFUSQASVSA-N 0 3 357.204 2.645 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC(C)(C)NC(C)(C)C1 ZINC001464849894 1062867280 /nfs/dbraw/zinc/86/72/80/1062867280.db2.gz LECGTPGOMOKJOM-UHFFFAOYSA-N 0 3 369.487 2.753 20 5 FFBDHN Cc1cc(S(=O)(=O)[N-][C@@H](CC[NH+](C)C)C(C)(C)C)c([N+](=O)[O-])s1 ZINC001474960197 1065655578 /nfs/dbraw/zinc/65/55/78/1065655578.db2.gz AQNIGVPJXGZACH-LBPRGKRZSA-N 0 3 363.505 2.609 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001556098829 1075700316 /nfs/dbraw/zinc/70/03/16/1075700316.db2.gz ZLXFLOFEBDPKCL-KSSFIOAISA-N 0 3 371.412 2.913 20 5 FFBDHN CC[C@H](CN1CCOCC1)NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001561014109 1076319723 /nfs/dbraw/zinc/31/97/23/1076319723.db2.gz KWCQRIYSQIPWNL-CQSZACIVSA-N 0 3 361.364 2.814 20 5 FFBDHN C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589899444 1080848697 /nfs/dbraw/zinc/84/86/97/1080848697.db2.gz IYOBSNBQIOBGMG-GFCCVEGCSA-N 0 3 368.397 2.544 20 5 FFBDHN C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589899444 1080848701 /nfs/dbraw/zinc/84/87/01/1080848701.db2.gz IYOBSNBQIOBGMG-GFCCVEGCSA-N 0 3 368.397 2.544 20 5 FFBDHN C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589899444 1080848703 /nfs/dbraw/zinc/84/87/03/1080848703.db2.gz IYOBSNBQIOBGMG-GFCCVEGCSA-N 0 3 368.397 2.544 20 5 FFBDHN C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589899444 1080848706 /nfs/dbraw/zinc/84/87/06/1080848706.db2.gz IYOBSNBQIOBGMG-GFCCVEGCSA-N 0 3 368.397 2.544 20 5 FFBDHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1Cl ZINC000097454440 250065399 /nfs/dbraw/zinc/06/53/99/250065399.db2.gz ZZLXRRCHYIRZMB-SKDRFNHKSA-N 0 3 359.213 2.810 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)CN2CCCCC2)cc1SC ZINC000103069354 250132620 /nfs/dbraw/zinc/13/26/20/250132620.db2.gz UUZDRHYHYDGGFK-GFCCVEGCSA-N 0 3 367.471 2.930 20 5 FFBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CCN(C)C1CC1 ZINC000186763317 251259873 /nfs/dbraw/zinc/25/98/73/251259873.db2.gz LTUNYKSGBATYBU-NSHDSACASA-N 0 3 354.838 2.601 20 5 FFBDHN Cc1ccc2[nH]c([C@@H]3CCCN(CCn4ccc([N+](=O)[O-])n4)C3)nc2c1 ZINC000181141513 251246626 /nfs/dbraw/zinc/24/66/26/251246626.db2.gz FMVNTBMCBXHKBM-CQSZACIVSA-N 0 3 354.414 2.856 20 5 FFBDHN Cc1ccc2nc([C@@H]3CCCN(CCn4ccc([N+](=O)[O-])n4)C3)[nH]c2c1 ZINC000181141513 251246630 /nfs/dbraw/zinc/24/66/30/251246630.db2.gz FMVNTBMCBXHKBM-CQSZACIVSA-N 0 3 354.414 2.856 20 5 FFBDHN CC(C)NC(=O)c1ccc(N2CC[C@@H](N3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000264619740 251324806 /nfs/dbraw/zinc/32/48/06/251324806.db2.gz RJYFDNWWZGNLDE-MRXNPFEDSA-N 0 3 360.458 2.798 20 5 FFBDHN COc1ccc(CN[C@H](C)Cn2cc(Br)cn2)cc1[N+](=O)[O-] ZINC000268803400 251388147 /nfs/dbraw/zinc/38/81/47/251388147.db2.gz GRXAGIBCVTVFGS-SNVBAGLBSA-N 0 3 369.219 2.741 20 5 FFBDHN O=[N+]([O-])c1cnn(CCN[C@H]2CCOc3c(Br)cccc32)c1 ZINC000271476043 251802502 /nfs/dbraw/zinc/80/25/02/251802502.db2.gz HZIZTNYGWVINFA-ZDUSSCGKSA-N 0 3 367.203 2.667 20 5 FFBDHN CN1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)[C@@H]2C1 ZINC000272415054 252033320 /nfs/dbraw/zinc/03/33/20/252033320.db2.gz GAXDPHAGXPFEKE-IINYFYTJSA-N 0 3 357.332 2.780 20 5 FFBDHN CS(=O)(=O)[C@@H]1CCCC[C@H]1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272705521 252107901 /nfs/dbraw/zinc/10/79/01/252107901.db2.gz ZPBLLUAEARAIOA-UKRRQHHQSA-N 0 3 360.863 2.736 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(NCc2ccccc2CN2CC[C@@H](O)C2)c1 ZINC000273090053 252213346 /nfs/dbraw/zinc/21/33/46/252213346.db2.gz ISLIMYSJCUUSHS-MRXNPFEDSA-N 0 3 357.410 2.782 20 5 FFBDHN COCC[C@H](NCCOc1ccc(OC)cc1[N+](=O)[O-])c1ccco1 ZINC000273313423 252279629 /nfs/dbraw/zinc/27/96/29/252279629.db2.gz UYMDMBYRMNRSGP-AWEZNQCLSA-N 0 3 350.371 2.943 20 5 FFBDHN CN(C)CC1(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CCCC1 ZINC000276315783 256089410 /nfs/dbraw/zinc/08/94/10/256089410.db2.gz PHSKJUWUORJAGP-UHFFFAOYSA-N 0 3 355.460 2.532 20 5 FFBDHN C[C@H]1C[C@H](N2CCCC2)CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000285763679 257003469 /nfs/dbraw/zinc/00/34/69/257003469.db2.gz ZQFMTFAEEFNTCE-JSGCOSHPSA-N 0 3 366.849 2.745 20 5 FFBDHN C[C@H]1CCCCN1CCCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000276089075 256071540 /nfs/dbraw/zinc/07/15/40/256071540.db2.gz PWGKVBJFHFMZCI-ZDUSSCGKSA-N 0 3 355.460 2.675 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000277278217 256180208 /nfs/dbraw/zinc/18/02/08/256180208.db2.gz BAAUQXOGKIWWEZ-AWEZNQCLSA-N 0 3 350.419 2.526 20 5 FFBDHN CC(C)N1CCN(C2CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)CC2)CC1 ZINC000278381544 256306198 /nfs/dbraw/zinc/30/61/98/256306198.db2.gz LRHGEUMUVPGBJX-UHFFFAOYSA-N 0 3 373.501 2.558 20 5 FFBDHN CCc1n[nH]c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000278430114 256311802 /nfs/dbraw/zinc/31/18/02/256311802.db2.gz CYGFRFPWNGESIH-XJKSGUPXSA-N 0 3 371.441 2.521 20 5 FFBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H](CCO)c2ccc(Cl)cc2)c1 ZINC000286697285 257050311 /nfs/dbraw/zinc/05/03/11/257050311.db2.gz DOINYXRWCLQJFQ-IRXDYDNUSA-N 0 3 350.802 2.995 20 5 FFBDHN CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCC(F)(F)CC1 ZINC000287010855 257066833 /nfs/dbraw/zinc/06/68/33/257066833.db2.gz QSKLFMPGLPMWDX-UHFFFAOYSA-N 0 3 353.369 2.994 20 5 FFBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000288680375 257217753 /nfs/dbraw/zinc/21/77/53/257217753.db2.gz CRJXSCPJMDHXTE-PMACEKPBSA-N 0 3 374.412 2.694 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@H]3CCCS(=O)(=O)C3)o2)c1 ZINC000290143200 257317344 /nfs/dbraw/zinc/31/73/44/257317344.db2.gz ODRBYHGWSRRNCH-CYBMUJFWSA-N 0 3 364.423 2.769 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3CCCS(=O)(=O)C3)o2)cc1 ZINC000290157580 257318069 /nfs/dbraw/zinc/31/80/69/257318069.db2.gz POSAORDAKBEDFE-CYBMUJFWSA-N 0 3 364.423 2.769 20 5 FFBDHN Cc1cc(CNC(=O)c2[n-]nc(C(C)C)c2[N+](=O)[O-])cc(N2CCCC2)[nH+]1 ZINC000290599156 257345118 /nfs/dbraw/zinc/34/51/18/257345118.db2.gz RMVWRQHUMUDSOX-UHFFFAOYSA-N 0 3 372.429 2.675 20 5 FFBDHN CC1CCN(C[C@H](O)CNc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301172676 258031130 /nfs/dbraw/zinc/03/11/30/258031130.db2.gz KSKJSMOAAWFDBE-CYBMUJFWSA-N 0 3 372.263 2.862 20 5 FFBDHN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCN(c2ccncc2)CC1 ZINC000301371409 258045598 /nfs/dbraw/zinc/04/55/98/258045598.db2.gz TYRKPLHNHIVLNO-UHFFFAOYSA-N 0 3 374.372 2.632 20 5 FFBDHN CCN1CCN([C@H]2CCN(c3cc(C)nc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000302155537 258091640 /nfs/dbraw/zinc/09/16/40/258091640.db2.gz IRNZJNMKINTRAI-KRWDZBQOSA-N 0 3 369.469 2.668 20 5 FFBDHN Cc1ccc(N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000302444188 258101991 /nfs/dbraw/zinc/10/19/91/258101991.db2.gz NRLLIHYEELDBAK-FQEVSTJZSA-N 0 3 355.438 2.976 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)CCN2 ZINC000302882847 258113537 /nfs/dbraw/zinc/11/35/37/258113537.db2.gz KGOXRUGFHDRWFC-HZPDHXFCSA-N 0 3 368.437 2.610 20 5 FFBDHN CN(CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000301534604 258054372 /nfs/dbraw/zinc/05/43/72/258054372.db2.gz MCLFXKXWZBSRIM-UHFFFAOYSA-N 0 3 371.372 2.927 20 5 FFBDHN O=[N+]([O-])c1cc(Br)cnc1N1CCC[C@H](N2CCCC2)C1 ZINC000301700188 258063477 /nfs/dbraw/zinc/06/34/77/258063477.db2.gz SATLSRUBDCNCKZ-LBPRGKRZSA-N 0 3 355.236 2.817 20 5 FFBDHN CC(C)CN1CCC[C@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301757283 258066613 /nfs/dbraw/zinc/06/66/13/258066613.db2.gz DXZSLNAUZCZUHZ-CQSZACIVSA-N 0 3 369.487 2.778 20 5 FFBDHN CC(C)N1CCC[C@H](CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301856876 258071091 /nfs/dbraw/zinc/07/10/91/258071091.db2.gz CGMOCXMMSVMWRN-CYBMUJFWSA-N 0 3 355.460 2.531 20 5 FFBDHN CS[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@H]1N(C)C ZINC000331473373 258187561 /nfs/dbraw/zinc/18/75/61/258187561.db2.gz KVIYIUIWOLMNNJ-DOMZBBRYSA-N 0 3 365.480 2.927 20 5 FFBDHN Cc1ccc(C)c(S(=O)(=O)N[C@H]2CCN(C3CCCC3)C2)c1[N+](=O)[O-] ZINC000331953703 258207705 /nfs/dbraw/zinc/20/77/05/258207705.db2.gz PFBGRGVZFMOKDM-AWEZNQCLSA-N 0 3 367.471 2.507 20 5 FFBDHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000332317602 258225090 /nfs/dbraw/zinc/22/50/90/258225090.db2.gz VFVXEAXMWFJIQL-GASCZTMLSA-N 0 3 361.442 2.837 20 5 FFBDHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000332659279 258239277 /nfs/dbraw/zinc/23/92/77/258239277.db2.gz WOYUNVWDZNIXGX-JQWIXIFHSA-N 0 3 355.341 2.505 20 5 FFBDHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000332659281 258239305 /nfs/dbraw/zinc/23/93/05/258239305.db2.gz WOYUNVWDZNIXGX-PWSUYJOCSA-N 0 3 355.341 2.505 20 5 FFBDHN Cc1noc([C@H]2CCCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)n1 ZINC000052862433 506268741 /nfs/dbraw/zinc/26/87/41/506268741.db2.gz WOPIYHVSKLMQPU-AWEZNQCLSA-N 0 3 373.413 2.803 20 5 FFBDHN O=C1Nc2ccccc2[C@]12CCN(CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000375311672 512261975 /nfs/dbraw/zinc/26/19/75/512261975.db2.gz XSFCIVVFESZROD-LJQANCHMSA-N 0 3 353.378 2.569 20 5 FFBDHN CNC(=O)c1ccc(NC[C@H](c2cccc(OC)c2)N(C)C)c([N+](=O)[O-])c1 ZINC000053550532 506401719 /nfs/dbraw/zinc/40/17/19/506401719.db2.gz FZIXTPPPBCOIFF-GOSISDBHSA-N 0 3 372.425 2.678 20 5 FFBDHN Cc1ccc(S(=O)(=O)N(C)CCN(C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000065971454 506402738 /nfs/dbraw/zinc/40/27/38/506402738.db2.gz RWNZXYNWNHEJLT-UHFFFAOYSA-N 0 3 369.487 2.788 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(c3ccc(O)cc3)CC2)c1 ZINC000055290653 506720357 /nfs/dbraw/zinc/72/03/57/506720357.db2.gz RBQBASWKZBAVIJ-LJQANCHMSA-N 0 3 372.421 2.920 20 5 FFBDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000068313187 507184139 /nfs/dbraw/zinc/18/41/39/507184139.db2.gz DZCGTKGHUVFIKW-UHFFFAOYSA-N 0 3 353.325 2.670 20 5 FFBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NCCN2CCCC[C@H]2C)cc1OC ZINC000046859956 507210965 /nfs/dbraw/zinc/21/09/65/507210965.db2.gz YNJZWEGFSPDWPO-CYBMUJFWSA-N 0 3 365.430 2.606 20 5 FFBDHN C[C@@H]1CCCCN1CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000047142646 507271670 /nfs/dbraw/zinc/27/16/70/507271670.db2.gz PMWMGYSTOWZITO-OAHLLOKOSA-N 0 3 360.458 2.799 20 5 FFBDHN C[C@H]1CCCCN1CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000047142648 507272407 /nfs/dbraw/zinc/27/24/07/507272407.db2.gz PMWMGYSTOWZITO-HNNXBMFYSA-N 0 3 360.458 2.799 20 5 FFBDHN COC(=O)c1cc(C(=O)Nc2cccc(CN(C)C)c2)cc([N+](=O)[O-])c1 ZINC000047452718 507336828 /nfs/dbraw/zinc/33/68/28/507336828.db2.gz OAXVAFJVBLSFJG-UHFFFAOYSA-N 0 3 357.366 2.695 20 5 FFBDHN CCOC(=O)C1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000026161640 507564296 /nfs/dbraw/zinc/56/42/96/507564296.db2.gz CGOBSDOMDVWJSQ-UHFFFAOYSA-N 0 3 363.414 2.507 20 5 FFBDHN CC1CCN(c2ccc(C(=O)NC3CCN(C)CC3)cc2[N+](=O)[O-])CC1 ZINC000060855802 507582765 /nfs/dbraw/zinc/58/27/65/507582765.db2.gz JWNOSVPXAVLUHR-UHFFFAOYSA-N 0 3 360.458 2.655 20 5 FFBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1(N(C)C)CCCCCC1 ZINC000026956349 507623668 /nfs/dbraw/zinc/62/36/68/507623668.db2.gz IGPDIGMTEKFDLE-UHFFFAOYSA-N 0 3 369.487 2.836 20 5 FFBDHN CN(C)[C@@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000049795030 507639616 /nfs/dbraw/zinc/63/96/16/507639616.db2.gz LALQNFMWGMKXCI-GOSISDBHSA-N 0 3 370.453 2.909 20 5 FFBDHN CNc1ccc(C(=O)NC[C@H](Cc2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000027581311 507668012 /nfs/dbraw/zinc/66/80/12/507668012.db2.gz LRVUCFLCIFYWIM-INIZCTEOSA-N 0 3 356.426 2.539 20 5 FFBDHN CC(=O)Nc1cccc([C@H](C)NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000028917729 507749582 /nfs/dbraw/zinc/74/95/82/507749582.db2.gz VQTBXTOPYYUWKN-SCLBCKFNSA-N 0 3 373.409 2.644 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1(N(C)C)CCCCCC1 ZINC000030339131 507806865 /nfs/dbraw/zinc/80/68/65/507806865.db2.gz FUJJWRPAWSGJFO-UHFFFAOYSA-N 0 3 369.487 2.836 20 5 FFBDHN O=C(Cc1ccccc1[N+](=O)[O-])NCC1(N2CCSCC2)CCCC1 ZINC000031960330 507822651 /nfs/dbraw/zinc/82/26/51/507822651.db2.gz CFAIOLXJZBWFIB-UHFFFAOYSA-N 0 3 363.483 2.615 20 5 FFBDHN CNC(=O)c1ccc(N2CC[C@@H](N(C)Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000078506450 507877921 /nfs/dbraw/zinc/87/79/21/507877921.db2.gz ARSUSXYKLIYTHI-QGZVFWFLSA-N 0 3 368.437 2.665 20 5 FFBDHN CCO[C@H]1C[C@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C12CCCCC2 ZINC000090550706 507926890 /nfs/dbraw/zinc/92/68/90/507926890.db2.gz ZBNMUCQQFWEKKQ-IRXDYDNUSA-N 0 3 363.458 2.816 20 5 FFBDHN COc1cc(C(=O)N2C[C@H](N(C)C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000109112780 507940241 /nfs/dbraw/zinc/94/02/41/507940241.db2.gz FPTYNCRMOKYZCS-OAHLLOKOSA-N 0 3 355.394 2.737 20 5 FFBDHN COc1ccc(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000110353450 508023213 /nfs/dbraw/zinc/02/32/13/508023213.db2.gz PSNHYSYYQQJESQ-CQSZACIVSA-N 0 3 357.410 2.854 20 5 FFBDHN Cc1cc(C(=O)NCC2(N3CCCCC3)CCOCC2)cc([N+](=O)[O-])c1 ZINC000111100768 508071003 /nfs/dbraw/zinc/07/10/03/508071003.db2.gz JQLKYPSIXHFEBT-UHFFFAOYSA-N 0 3 361.442 2.668 20 5 FFBDHN CN1CCN(CC2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)CC1 ZINC000092622405 508088835 /nfs/dbraw/zinc/08/88/35/508088835.db2.gz CBQUCFLCBQKCPG-UHFFFAOYSA-N 0 3 369.469 2.607 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1cccc(O)c1 ZINC000080921653 508112086 /nfs/dbraw/zinc/11/20/86/508112086.db2.gz VISDKWVKMUNATD-UHFFFAOYSA-N 0 3 359.382 2.770 20 5 FFBDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000081129008 508140985 /nfs/dbraw/zinc/14/09/85/508140985.db2.gz CWYRRJPPVCLTNU-GOSISDBHSA-N 0 3 369.421 2.707 20 5 FFBDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000081129012 508141040 /nfs/dbraw/zinc/14/10/40/508141040.db2.gz CWYRRJPPVCLTNU-SFHVURJKSA-N 0 3 369.421 2.707 20 5 FFBDHN CC(C)OCCN1CCC(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000081997787 508224212 /nfs/dbraw/zinc/22/42/12/508224212.db2.gz JEJDGJUOPPRPMW-UHFFFAOYSA-N 0 3 374.441 2.695 20 5 FFBDHN O=[N+]([O-])c1cccc(OCCN2CCC(OC[C@H]3CCCO3)CC2)c1 ZINC000083411824 508244422 /nfs/dbraw/zinc/24/44/22/508244422.db2.gz RHJOAXHSRBZOED-GOSISDBHSA-N 0 3 350.415 2.634 20 5 FFBDHN CN(c1ccccc1)c1ccc(CNC[C@@H]2CCC(=O)N2)cc1[N+](=O)[O-] ZINC000076759146 508251971 /nfs/dbraw/zinc/25/19/71/508251971.db2.gz GVDBDBLTPIGRNC-HNNXBMFYSA-N 0 3 354.410 2.731 20 5 FFBDHN C[C@@H]1CN(CCCCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000085457856 508309569 /nfs/dbraw/zinc/30/95/69/508309569.db2.gz STOVDBPNMBZSAO-BETUJISGSA-N 0 3 369.849 2.867 20 5 FFBDHN COc1ccc(CNC[C@@](C)(O)c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000114509560 508323192 /nfs/dbraw/zinc/32/31/92/508323192.db2.gz DWSYBPQROODXCH-QGZVFWFLSA-N 0 3 352.337 2.879 20 5 FFBDHN Cc1ccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)c(OCCN(C)C)c1 ZINC000133608810 508424449 /nfs/dbraw/zinc/42/44/49/508424449.db2.gz DLLYDINWFQLTIF-UHFFFAOYSA-N 0 3 358.398 2.678 20 5 FFBDHN CN(C)Cc1cccc(CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000122034486 508470884 /nfs/dbraw/zinc/47/08/84/508470884.db2.gz KQGCNAUYWXFDRA-UHFFFAOYSA-N 0 3 368.437 2.924 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000127618228 508476984 /nfs/dbraw/zinc/47/69/84/508476984.db2.gz KWANIGKEVHABPE-OAHLLOKOSA-N 0 3 364.446 2.786 20 5 FFBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000134929276 508576163 /nfs/dbraw/zinc/57/61/63/508576163.db2.gz NJYNWJUTOZPPFZ-QMTMVMCOSA-N 0 3 372.469 2.871 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cccc(CN(C)C)c1 ZINC000123129598 508641331 /nfs/dbraw/zinc/64/13/31/508641331.db2.gz GBGQCZRTSFWWLU-UHFFFAOYSA-N 0 3 358.398 2.987 20 5 FFBDHN CCC[C@H](C)NC(=O)[C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000153825557 508656860 /nfs/dbraw/zinc/65/68/60/508656860.db2.gz WTLIIOIYQAAPKG-ZVZYQTTQSA-N 0 3 363.458 2.645 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CN1C1CC1 ZINC000123436148 508686689 /nfs/dbraw/zinc/68/66/89/508686689.db2.gz DCBZCEJZKQHZFA-UKRRQHHQSA-N 0 3 358.442 2.894 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 ZINC000137455645 508756454 /nfs/dbraw/zinc/75/64/54/508756454.db2.gz WDRKRUHYXLLZEF-WBVHZDCISA-N 0 3 369.421 2.753 20 5 FFBDHN CCN(CC)C(=O)C1(NC[C@H](O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000154549027 508807434 /nfs/dbraw/zinc/80/74/34/508807434.db2.gz MJABKSIASFKYQF-KRWDZBQOSA-N 0 3 363.458 2.789 20 5 FFBDHN CN(CCCNC(=O)NCCc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000159289362 508819719 /nfs/dbraw/zinc/81/97/19/508819719.db2.gz OOOBGPUYZUEUJX-UHFFFAOYSA-N 0 3 370.453 2.959 20 5 FFBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CCCn1ccnc1 ZINC000124382669 508823731 /nfs/dbraw/zinc/82/37/31/508823731.db2.gz TVZPMYLCKUCDQK-LBPRGKRZSA-N 0 3 365.821 2.794 20 5 FFBDHN COc1ccc(-c2ccc(CN3C[C@H](C(N)=O)CC[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000159604402 508864430 /nfs/dbraw/zinc/86/44/30/508864430.db2.gz KTFZZGLSCLWPBM-QWHCGFSZSA-N 0 3 373.409 2.949 20 5 FFBDHN O=C(NCCN1CCCCCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000159652981 508872099 /nfs/dbraw/zinc/87/20/99/508872099.db2.gz BALNGNWLTSKXFA-UHFFFAOYSA-N 0 3 370.247 2.963 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000119841097 508874188 /nfs/dbraw/zinc/87/41/88/508874188.db2.gz RPWNZFGHIWXNIO-KDOFPFPSSA-N 0 3 369.421 2.854 20 5 FFBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000120509402 509010731 /nfs/dbraw/zinc/01/07/31/509010731.db2.gz CKUCIAZYQPYRRM-RDJZCZTQSA-N 0 3 374.485 2.610 20 5 FFBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000160710402 509023350 /nfs/dbraw/zinc/02/33/50/509023350.db2.gz JCGZICOKOHMMKG-QGZVFWFLSA-N 0 3 360.458 2.999 20 5 FFBDHN CN(C)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000120858532 509077304 /nfs/dbraw/zinc/07/73/04/509077304.db2.gz SWEPWGIIYBXFLQ-NSHDSACASA-N 0 3 356.220 2.524 20 5 FFBDHN COc1cc(C(=O)N(CCN(C)C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000161501079 509122462 /nfs/dbraw/zinc/12/24/62/509122462.db2.gz CIWBDURHPVSZEN-UHFFFAOYSA-N 0 3 357.410 2.807 20 5 FFBDHN CCOC(=O)c1ccnc(N(CCN(C)C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000161914120 509164168 /nfs/dbraw/zinc/16/41/68/509164168.db2.gz OSURZNBOCVBHSG-UHFFFAOYSA-N 0 3 372.425 2.735 20 5 FFBDHN Cc1c(Br)cc(C(=O)N2CCC[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000121429717 509173566 /nfs/dbraw/zinc/17/35/66/509173566.db2.gz HIDCPQBNDOZTBX-GFCCVEGCSA-N 0 3 370.247 2.832 20 5 FFBDHN C[C@@H]1CN(CC2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000263850050 509185648 /nfs/dbraw/zinc/18/56/48/509185648.db2.gz YDGCJQRNUDRFET-HUUCEWRRSA-N 0 3 361.442 2.556 20 5 FFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)[C@H](C)C1 ZINC000191987346 509280522 /nfs/dbraw/zinc/28/05/22/509280522.db2.gz LYCWYXDUBRLMPV-HUUCEWRRSA-N 0 3 369.487 2.562 20 5 FFBDHN CCOc1cccc2cc([C@@H](C)NC[C@@H](O)Cn3cc([N+](=O)[O-])cn3)oc21 ZINC000182649491 509350525 /nfs/dbraw/zinc/35/05/25/509350525.db2.gz SFOFAGRMYDIBGD-IUODEOHRSA-N 0 3 374.397 2.648 20 5 FFBDHN COCCCN1CCC(Nc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000267268704 509420716 /nfs/dbraw/zinc/42/07/16/509420716.db2.gz RRRYIJUAQURMKO-UHFFFAOYSA-N 0 3 373.251 2.665 20 5 FFBDHN CC(C)(NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC000173279774 509499822 /nfs/dbraw/zinc/49/98/22/509499822.db2.gz JBELZKACJNNDFF-LBPRGKRZSA-N 0 3 373.240 2.984 20 5 FFBDHN C[C@@H](NC[C@H](O)COc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000173394642 509571601 /nfs/dbraw/zinc/57/16/01/509571601.db2.gz RJLKAFTYHSLZNY-RISCZKNCSA-N 0 3 352.337 2.964 20 5 FFBDHN CCOc1cccc(NC[C@H](C)CN2CCN(CC)CC2)c1[N+](=O)[O-] ZINC000189444952 509578276 /nfs/dbraw/zinc/57/82/76/509578276.db2.gz UQLWVICYXNISEH-HNNXBMFYSA-N 0 3 350.463 2.679 20 5 FFBDHN O=[N+]([O-])c1ccc(CN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000249035607 509578467 /nfs/dbraw/zinc/57/84/67/509578467.db2.gz SNHQXWXIHBPPGF-GUYCJALGSA-N 0 3 360.414 2.952 20 5 FFBDHN COC(=O)C[C@H]1CCCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000165697632 509581928 /nfs/dbraw/zinc/58/19/28/509581928.db2.gz LZAXJACHHVYIEO-CQSZACIVSA-N 0 3 363.414 2.649 20 5 FFBDHN C[C@@H]1CN(CCCCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000176684731 509639519 /nfs/dbraw/zinc/63/95/19/509639519.db2.gz FWHNOCFGKZLXJD-BETUJISGSA-N 0 3 369.849 2.867 20 5 FFBDHN CC(C)N1CCN(CCCN(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000192775309 509640566 /nfs/dbraw/zinc/64/05/66/509640566.db2.gz USWJJXVLBZDRST-UHFFFAOYSA-N 0 3 360.502 2.975 20 5 FFBDHN O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000264695694 509652385 /nfs/dbraw/zinc/65/23/85/509652385.db2.gz IPWWNYASKVASNV-MQVJKMGUSA-N 0 3 354.410 2.848 20 5 FFBDHN O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000264695694 509652394 /nfs/dbraw/zinc/65/23/94/509652394.db2.gz IPWWNYASKVASNV-MQVJKMGUSA-N 0 3 354.410 2.848 20 5 FFBDHN COCCCN1CCC(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000189620222 509667626 /nfs/dbraw/zinc/66/76/26/509667626.db2.gz QTNBXBATCQJPFZ-UHFFFAOYSA-N 0 3 363.458 2.949 20 5 FFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000249474349 509690955 /nfs/dbraw/zinc/69/09/55/509690955.db2.gz JEAYUQVOYFNGJR-GJZGRUSLSA-N 0 3 369.487 2.562 20 5 FFBDHN CN1CCN(CCCN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180018275 509711609 /nfs/dbraw/zinc/71/16/09/509711609.db2.gz YCCJKFILROMMDA-NRFANRHFSA-N 0 3 368.481 2.911 20 5 FFBDHN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@H]1CN1CCCC1 ZINC000170684323 509719110 /nfs/dbraw/zinc/71/91/10/509719110.db2.gz GWEXHLOPWBHEIJ-INIZCTEOSA-N 0 3 358.442 2.870 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000268015668 509719192 /nfs/dbraw/zinc/71/91/92/509719192.db2.gz XMGMMJFPZNKYTL-INIZCTEOSA-N 0 3 352.460 2.770 20 5 FFBDHN CCC[C@H](O)CNCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000264843697 509735903 /nfs/dbraw/zinc/73/59/03/509735903.db2.gz JJBKIIMFGKVIHN-NSHDSACASA-N 0 3 366.336 2.795 20 5 FFBDHN CN1CC[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000180175154 509795331 /nfs/dbraw/zinc/79/53/31/509795331.db2.gz KWFZLMWZPVVDJY-XLIONFOSSA-N 0 3 368.437 2.958 20 5 FFBDHN N[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccccc1 ZINC000238023399 509801925 /nfs/dbraw/zinc/80/19/25/509801925.db2.gz JSWXDARMFLAJSD-KRWDZBQOSA-N 0 3 354.410 2.625 20 5 FFBDHN CN(C)C1(CN(C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000186991958 509993340 /nfs/dbraw/zinc/99/33/40/509993340.db2.gz RZBYPKRKILYRSG-UHFFFAOYSA-N 0 3 354.838 2.603 20 5 FFBDHN CCN1CCCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000265550996 510112057 /nfs/dbraw/zinc/11/20/57/510112057.db2.gz YLZPGSXBRQMGRP-GFCCVEGCSA-N 0 3 354.838 2.603 20 5 FFBDHN CCO[C@@H]1C[C@](N)(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC000187283899 510171029 /nfs/dbraw/zinc/17/10/29/510171029.db2.gz PFBRCUQWVLSCED-PBHICJAKSA-N 0 3 369.849 2.739 20 5 FFBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC000174660791 510236117 /nfs/dbraw/zinc/23/61/17/510236117.db2.gz KSPZJQVQFZCHRX-CABZTGNLSA-N 0 3 359.213 2.810 20 5 FFBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2NCCc3ccccc32)c1 ZINC000262426970 510276954 /nfs/dbraw/zinc/27/69/54/510276954.db2.gz SLPYFRFMYSZHIF-INIZCTEOSA-N 0 3 357.435 2.934 20 5 FFBDHN Cc1ccsc1[C@@H](C)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000178000373 510368459 /nfs/dbraw/zinc/36/84/59/510368459.db2.gz ROXZQWASXHQCJP-GFCCVEGCSA-N 0 3 369.468 2.594 20 5 FFBDHN COc1cc(CN2CCN3CCCC[C@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000246250236 510387967 /nfs/dbraw/zinc/38/79/67/510387967.db2.gz WQOIQSNQUGJUEW-ZDUSSCGKSA-N 0 3 371.384 2.875 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246270932 510399671 /nfs/dbraw/zinc/39/96/71/510399671.db2.gz AEJMGEZJPBMYLI-HNAYVOBHSA-N 0 3 372.469 2.790 20 5 FFBDHN CCN(CCCNc1cc(C)nc2ccc([N+](=O)[O-])cc21)S(C)(=O)=O ZINC000181463975 510423658 /nfs/dbraw/zinc/42/36/58/510423658.db2.gz FUCWETZXIKCDAD-UHFFFAOYSA-N 0 3 366.443 2.535 20 5 FFBDHN CCN(CC)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)c1ccccc1 ZINC000178157776 510462429 /nfs/dbraw/zinc/46/24/29/510462429.db2.gz JNZIOACBHUIBGH-KRWDZBQOSA-N 0 3 356.426 2.990 20 5 FFBDHN Nc1c(C(=O)N[C@H](CN2CCCC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000178161159 510464234 /nfs/dbraw/zinc/46/42/34/510464234.db2.gz GNBHOFWQQKYAPC-MRXNPFEDSA-N 0 3 354.410 2.744 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1cccc(O)c1 ZINC000181582688 510484267 /nfs/dbraw/zinc/48/42/67/510484267.db2.gz ZOMPDSJUHAAJKI-GFCCVEGCSA-N 0 3 359.382 2.988 20 5 FFBDHN COc1cc(C(=O)N[C@H](C)CN(C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000182095472 510755496 /nfs/dbraw/zinc/75/54/96/510755496.db2.gz MAHHAUSFRWTRMR-CQSZACIVSA-N 0 3 357.410 2.854 20 5 FFBDHN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(CN3CCCC3)ccc2C)n1 ZINC000191678482 510783209 /nfs/dbraw/zinc/78/32/09/510783209.db2.gz JAIYFPKFQSFHIC-UHFFFAOYSA-N 0 3 357.414 2.968 20 5 FFBDHN CCc1cc(NCCN2CCCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000188496055 510797105 /nfs/dbraw/zinc/79/71/05/510797105.db2.gz IIZBTCRPGYTPDY-UHFFFAOYSA-N 0 3 371.441 2.748 20 5 FFBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)n1 ZINC000191717889 510799628 /nfs/dbraw/zinc/79/96/28/510799628.db2.gz UNUQODGUIFMRIX-LJQANCHMSA-N 0 3 371.441 2.596 20 5 FFBDHN CC(C)N1CCN(C2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC000270488752 510886370 /nfs/dbraw/zinc/88/63/70/510886370.db2.gz QXUSAQGBYUMATR-UHFFFAOYSA-N 0 3 350.438 2.729 20 5 FFBDHN CN1CC[C@@]2(CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C2)C1 ZINC000293966424 510913115 /nfs/dbraw/zinc/91/31/15/510913115.db2.gz UHHMQUNUXCZENM-OAHLLOKOSA-N 0 3 368.231 2.525 20 5 FFBDHN C[C@@H]1C[C@H](c2cccnc2)N(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000364527093 510916800 /nfs/dbraw/zinc/91/68/00/510916800.db2.gz JTKUQFOLHOCPEZ-DKSSEZFCSA-N 0 3 357.410 2.813 20 5 FFBDHN COCCCCN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000270601613 510921164 /nfs/dbraw/zinc/92/11/64/510921164.db2.gz WNZRROGRUHIDEC-UHFFFAOYSA-N 0 3 359.426 2.685 20 5 FFBDHN O=C(CCC(=O)N1CC[C@@H](N2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000294560722 511104183 /nfs/dbraw/zinc/10/41/83/511104183.db2.gz JJTZKCHATHHCLG-QGZVFWFLSA-N 0 3 359.426 2.645 20 5 FFBDHN CN(C)C1(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CCCCC1 ZINC000271239256 511134013 /nfs/dbraw/zinc/13/40/13/511134013.db2.gz HEYDRAQZAGUCAL-UHFFFAOYSA-N 0 3 361.489 2.736 20 5 FFBDHN C[C@H](NCc1ccccc1CS(C)(=O)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294864959 511202869 /nfs/dbraw/zinc/20/28/69/511202869.db2.gz TYVIKZNJQCQOKF-LBPRGKRZSA-N 0 3 363.439 2.572 20 5 FFBDHN CC(=O)Nc1ccc(OC[C@H](O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000294949106 511231271 /nfs/dbraw/zinc/23/12/71/511231271.db2.gz AQTNFKVMIFZOPH-SCLBCKFNSA-N 0 3 373.409 2.644 20 5 FFBDHN COC(=O)[C@@H]1CCO[C@H]1C1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000298275624 511232621 /nfs/dbraw/zinc/23/26/21/511232621.db2.gz ODHRDIQBSYDCSP-XCRHUMRWSA-N 0 3 362.426 2.946 20 5 FFBDHN COc1ccc(NC(=O)CCN2CC[C@]3(C)[C@H](C2)C3(F)F)c([N+](=O)[O-])c1 ZINC000298367233 511260193 /nfs/dbraw/zinc/26/01/93/511260193.db2.gz USQMUZNTOJEGRM-GOEBONIOSA-N 0 3 369.368 2.909 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CN1C1CC1 ZINC000295140373 511296663 /nfs/dbraw/zinc/29/66/63/511296663.db2.gz OLZADTSOGNCDQA-MWLCHTKSSA-N 0 3 357.332 2.969 20 5 FFBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272205178 511464789 /nfs/dbraw/zinc/46/47/89/511464789.db2.gz ZDHMXJJIGPLGPU-IUODEOHRSA-N 0 3 353.369 2.629 20 5 FFBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000272213914 511466791 /nfs/dbraw/zinc/46/67/91/511466791.db2.gz SBUYWYZAJATLRG-ZDUSSCGKSA-N 0 3 358.442 2.807 20 5 FFBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](CC(C)C)CN(C)C)cc1OC ZINC000299239287 511562944 /nfs/dbraw/zinc/56/29/44/511562944.db2.gz LJKSHNGHCUHTDP-ZDUSSCGKSA-N 0 3 367.446 2.708 20 5 FFBDHN CN1CC[C@]2(CCN(C(=O)c3ccc(Br)c([N+](=O)[O-])c3)C2)C1 ZINC000292470866 511608965 /nfs/dbraw/zinc/60/89/65/511608965.db2.gz ZSOHWRQJFCTFSM-HNNXBMFYSA-N 0 3 368.231 2.525 20 5 FFBDHN O=C(NCCCN1CCc2ccccc2C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000299387236 511617895 /nfs/dbraw/zinc/61/78/95/511617895.db2.gz YZZYVBQYFFRHAG-UHFFFAOYSA-N 0 3 357.385 2.912 20 5 FFBDHN O=C(CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000296286339 511684867 /nfs/dbraw/zinc/68/48/67/511684867.db2.gz OZLQZZWCGURAOM-HFBAOOFYSA-N 0 3 365.817 2.734 20 5 FFBDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000365854103 511689325 /nfs/dbraw/zinc/68/93/25/511689325.db2.gz PWSIPULUJGREOR-ZDUSSCGKSA-N 0 3 353.850 2.933 20 5 FFBDHN COCCOC1(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCOCC1 ZINC000296407342 511731515 /nfs/dbraw/zinc/73/15/15/511731515.db2.gz KSRWOYDBWXTLSY-OAHLLOKOSA-N 0 3 352.431 2.766 20 5 FFBDHN COC(=O)[C@@H]1CCO[C@H]1C1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000292874098 511753682 /nfs/dbraw/zinc/75/36/82/511753682.db2.gz WSWXIQQAZYPCHT-MSOLQXFVSA-N 0 3 362.426 2.693 20 5 FFBDHN CN1CC[C@H]2OCCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@H]2C1 ZINC000284634920 511803646 /nfs/dbraw/zinc/80/36/46/511803646.db2.gz NNJKFACVQCNCDF-PKOBYXMFSA-N 0 3 357.410 2.760 20 5 FFBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCN(C(C)C)C2)cc1OC ZINC000274460487 511842665 /nfs/dbraw/zinc/84/26/65/511842665.db2.gz JVDXWNQSEYREGW-ZDUSSCGKSA-N 0 3 365.430 2.605 20 5 FFBDHN CC(C)(CO)[C@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000293106424 511842705 /nfs/dbraw/zinc/84/27/05/511842705.db2.gz QPTYZZWRVXYJDG-OAHLLOKOSA-N 0 3 355.822 2.573 20 5 FFBDHN C[C@@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCN(C2CC2)C1 ZINC000296698133 511858996 /nfs/dbraw/zinc/85/89/96/511858996.db2.gz KRSLTRSWLIUJOI-CYBMUJFWSA-N 0 3 357.414 2.561 20 5 FFBDHN CCOc1cc(NC[C@H](C(C)C)N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000327299405 511872860 /nfs/dbraw/zinc/87/28/60/511872860.db2.gz KXSOLYMFEMMUBM-QGZVFWFLSA-N 0 3 350.463 2.677 20 5 FFBDHN COc1ccc(NC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000296904777 511944641 /nfs/dbraw/zinc/94/46/41/511944641.db2.gz SGYYRQWJRKMPFV-CYBMUJFWSA-N 0 3 362.430 2.942 20 5 FFBDHN CS[C@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@H]1N1CCCC1 ZINC000274851680 511964762 /nfs/dbraw/zinc/96/47/62/511964762.db2.gz AZNGKFVXCFGANH-SJORKVTESA-N 0 3 374.466 2.728 20 5 FFBDHN CCOC(=O)c1csc(CCN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000285134677 512012439 /nfs/dbraw/zinc/01/24/39/512012439.db2.gz LOYLRFPDCYRHPV-SNVBAGLBSA-N 0 3 364.427 2.704 20 5 FFBDHN CS[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1N1CCCC1 ZINC000275146475 512055558 /nfs/dbraw/zinc/05/55/58/512055558.db2.gz XVJASTLLWMEBHM-GDBMZVCRSA-N 0 3 362.455 2.748 20 5 FFBDHN COc1ccc(NC(=O)CCN2CCS[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411283157 512561889 /nfs/dbraw/zinc/56/18/89/512561889.db2.gz YNWNCYDEWCXVSO-RYUDHWBXSA-N 0 3 353.444 2.758 20 5 FFBDHN Cc1ccc([C@H](C)NCCC(=O)Nc2ccc(C(N)=O)cc2)cc1[N+](=O)[O-] ZINC000411476805 512654247 /nfs/dbraw/zinc/65/42/47/512654247.db2.gz QMQFDNCNYJQHFT-ZDUSSCGKSA-N 0 3 370.409 2.682 20 5 FFBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)n1 ZINC000378245465 512657027 /nfs/dbraw/zinc/65/70/27/512657027.db2.gz NVSAFCGENVLUOF-GFCCVEGCSA-N 0 3 359.361 2.951 20 5 FFBDHN COc1ccc(OCCCN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000370059986 512746433 /nfs/dbraw/zinc/74/64/33/512746433.db2.gz MYCAEJAMYFJSPW-UHFFFAOYSA-N 0 3 360.414 2.906 20 5 FFBDHN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000374301614 512754025 /nfs/dbraw/zinc/75/40/25/512754025.db2.gz KKVJQGDKDAHADR-RBUKOAKNSA-N 0 3 353.422 2.741 20 5 FFBDHN CO[C@@](C)([C@@H](C)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000411979054 512899762 /nfs/dbraw/zinc/89/97/62/512899762.db2.gz ZOHDNYSWLSHERZ-HWPZZCPQSA-N 0 3 355.822 2.980 20 5 FFBDHN CNc1c(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000390727045 512910611 /nfs/dbraw/zinc/91/06/11/512910611.db2.gz RZZYVGDPWNXXGR-CQSZACIVSA-N 0 3 356.426 2.887 20 5 FFBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000370588033 513006569 /nfs/dbraw/zinc/00/65/69/513006569.db2.gz KCAXEJVISHCLRE-YJBOKZPZSA-N 0 3 352.394 2.746 20 5 FFBDHN COCCN(C)CC[C@H](Nc1ncc([N+](=O)[O-])c(C)n1)c1ccccc1 ZINC000450314767 513138864 /nfs/dbraw/zinc/13/88/64/513138864.db2.gz NJQRYMUGZFLYHL-INIZCTEOSA-N 0 3 359.430 2.815 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CN1CCCCC1 ZINC000439882939 513203995 /nfs/dbraw/zinc/20/39/95/513203995.db2.gz MFWVBPSPWYUJOL-ZDUSSCGKSA-N 0 3 350.419 2.989 20 5 FFBDHN COc1ccc(-c2ccc(CNC3CCN(OC)CC3)o2)c([N+](=O)[O-])c1 ZINC000421392867 513246495 /nfs/dbraw/zinc/24/64/95/513246495.db2.gz CTALUTOAJLUNML-UHFFFAOYSA-N 0 3 361.398 2.979 20 5 FFBDHN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@@H]1CNCCC1(F)F ZINC000415443368 513263369 /nfs/dbraw/zinc/26/33/69/513263369.db2.gz QYACIHITYWETNH-SNVBAGLBSA-N 0 3 368.262 2.732 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccnc(OCCN(C)C)c1 ZINC000421502056 513287417 /nfs/dbraw/zinc/28/74/17/513287417.db2.gz XPPWGMOGVZTQGE-UHFFFAOYSA-N 0 3 358.398 2.799 20 5 FFBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CCCCN1C1CC1 ZINC000434422803 513319439 /nfs/dbraw/zinc/31/94/39/513319439.db2.gz BTXUNJJPXFDNRU-OAHLLOKOSA-N 0 3 351.834 2.924 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000450807619 513350684 /nfs/dbraw/zinc/35/06/84/513350684.db2.gz GWTDJWWHHQHALL-HNNXBMFYSA-N 0 3 368.437 2.652 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425010088 513368262 /nfs/dbraw/zinc/36/82/62/513368262.db2.gz VEZUAOGTEFPIDP-QFBILLFUSA-N 0 3 366.421 2.645 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(NCCCN2CCN(c3ccncc3)CC2)c1 ZINC000447049760 513387797 /nfs/dbraw/zinc/38/77/97/513387797.db2.gz WTUOMJXROZUMMT-UHFFFAOYSA-N 0 3 355.442 2.922 20 5 FFBDHN CN1C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)[C@@H]2C1 ZINC000425060052 513395576 /nfs/dbraw/zinc/39/55/76/513395576.db2.gz UFBCDEQCQGOGPJ-IINYFYTJSA-N 0 3 368.231 2.524 20 5 FFBDHN O=C(NC[C@H]1NCCc2ccccc21)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418640255 513586871 /nfs/dbraw/zinc/58/68/71/513586871.db2.gz QREKZARPCRTUQS-LJQANCHMSA-N 0 3 366.421 2.550 20 5 FFBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451349114 513694114 /nfs/dbraw/zinc/69/41/14/513694114.db2.gz WOZOJSTWEUACDM-BNEJOLLZSA-N 0 3 361.442 2.937 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@@H]3[C@H]3CCC[C@@H]3O)n2)cc1 ZINC000451426685 513744328 /nfs/dbraw/zinc/74/43/28/513744328.db2.gz VWTLGOUEYAYGRX-OAGGEKHMSA-N 0 3 358.398 2.770 20 5 FFBDHN Cc1cc(S(=O)(=O)N(C)CC[C@@H]2CCCCN2C)c(C)cc1[N+](=O)[O-] ZINC000416405058 513753592 /nfs/dbraw/zinc/75/35/92/513753592.db2.gz AZYRDPYYICJJCY-HNNXBMFYSA-N 0 3 369.487 2.707 20 5 FFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000416406202 513754660 /nfs/dbraw/zinc/75/46/60/513754660.db2.gz FCGKTBUNWDOOMI-GJZGRUSLSA-N 0 3 369.487 2.562 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H]2CCCN(C[C@@H](O)COCc3ccco3)C2)cc1 ZINC000451543138 513821585 /nfs/dbraw/zinc/82/15/85/513821585.db2.gz AZHMUNSRNNWGQS-SJLPKXTDSA-N 0 3 360.410 2.945 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C(C)C)[C@@H](CO)C(C)C ZINC000451590237 513852377 /nfs/dbraw/zinc/85/23/77/513852377.db2.gz BIUODGLVPAAKGB-YJBOKZPZSA-N 0 3 351.447 2.720 20 5 FFBDHN CN(C)CCOc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000413904553 513874207 /nfs/dbraw/zinc/87/42/07/513874207.db2.gz UGJUBEKIIQYBND-UHFFFAOYSA-N 0 3 361.373 2.856 20 5 FFBDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451773017 513971178 /nfs/dbraw/zinc/97/11/78/513971178.db2.gz LMHYCKLJRDJDKF-YPMHNXCESA-N 0 3 369.805 2.508 20 5 FFBDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448926555 513974598 /nfs/dbraw/zinc/97/45/98/513974598.db2.gz VASZAVZBULFIOV-AWEZNQCLSA-N 0 3 369.425 2.732 20 5 FFBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448934252 513978436 /nfs/dbraw/zinc/97/84/36/513978436.db2.gz UPKHYVPYDRELBY-GASCZTMLSA-N 0 3 371.441 2.773 20 5 FFBDHN CN(C)CCN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C1CCCC1 ZINC000448977345 514002853 /nfs/dbraw/zinc/00/28/53/514002853.db2.gz YFLURWQOZPQIAD-UHFFFAOYSA-N 0 3 371.441 2.931 20 5 FFBDHN CN1CCC[C@@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000451870587 514034636 /nfs/dbraw/zinc/03/46/36/514034636.db2.gz PPJYZCKVEXDTBM-DOTOQJQBSA-N 0 3 371.437 2.895 20 5 FFBDHN C[NH+](C)CCCC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000451886228 514047956 /nfs/dbraw/zinc/04/79/56/514047956.db2.gz IINMXVHBZNRHDB-UHFFFAOYSA-N 0 3 363.867 2.647 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000426840874 514054858 /nfs/dbraw/zinc/05/48/58/514054858.db2.gz SDDAAWZKSVHQML-UHFFFAOYSA-N 0 3 359.382 2.796 20 5 FFBDHN COC(=O)[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1c1ccccc1 ZINC000452007832 514131243 /nfs/dbraw/zinc/13/12/43/514131243.db2.gz RMIQNYZRBPAJDX-IAGOWNOFSA-N 0 3 370.405 2.992 20 5 FFBDHN COc1cc(CNC[C@@H](CO)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000414527938 514163944 /nfs/dbraw/zinc/16/39/44/514163944.db2.gz NJUPHSFOSCTVCX-AWEZNQCLSA-N 0 3 364.373 2.617 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1NCCc2ccccc21 ZINC000414651138 514222346 /nfs/dbraw/zinc/22/23/46/514222346.db2.gz FEPYCSKXPBBCSL-MRXNPFEDSA-N 0 3 356.382 2.612 20 5 FFBDHN COC(=O)COc1ccc(CNC[C@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000449491036 514226241 /nfs/dbraw/zinc/22/62/41/514226241.db2.gz DWDRQUWRKQASRC-GFCCVEGCSA-N 0 3 358.341 2.672 20 5 FFBDHN Cn1ccnc1[C@@H](NCCN1CCCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000449784684 514351086 /nfs/dbraw/zinc/35/10/86/514351086.db2.gz YFMKXFYOAUHOOW-KRWDZBQOSA-N 0 3 357.458 2.882 20 5 FFBDHN CC(C)(C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1)c1ccc([N+](=O)[O-])cc1 ZINC000424039038 514352766 /nfs/dbraw/zinc/35/27/66/514352766.db2.gz MTJWXOWZAACJFR-FUHWJXTLSA-N 0 3 371.412 2.965 20 5 FFBDHN C[C@H]1OCC[C@@]1(O)CNCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000433174814 514405553 /nfs/dbraw/zinc/40/55/53/514405553.db2.gz MBEWFRKSIHKZEV-FOIQADDNSA-N 0 3 371.437 2.992 20 5 FFBDHN CN(C)C(=O)[C@@H]1CC[C@H](CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)O1 ZINC000433226823 514429018 /nfs/dbraw/zinc/42/90/18/514429018.db2.gz IFBIZNXZDCDRJG-XYPHTWIQSA-N 0 3 361.442 2.543 20 5 FFBDHN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000449983031 514451969 /nfs/dbraw/zinc/45/19/69/514451969.db2.gz YIPYMBFYOOVSBS-QGZVFWFLSA-N 0 3 373.453 2.938 20 5 FFBDHN COc1cc(C(=O)N[C@@H]2CCN(CC3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000449982409 514452569 /nfs/dbraw/zinc/45/25/69/514452569.db2.gz SZQPWQXHAHIOHM-CYBMUJFWSA-N 0 3 365.405 2.737 20 5 FFBDHN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC[C@]1(N(C)C)CCSC1 ZINC000479492882 514604867 /nfs/dbraw/zinc/60/48/67/514604867.db2.gz WTYHUXNPFRMLAR-MRXNPFEDSA-N 0 3 371.434 2.760 20 5 FFBDHN COCC[C@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000466471308 514655586 /nfs/dbraw/zinc/65/55/86/514655586.db2.gz BJLUVAMBROHVTR-LLVKDONJSA-N 0 3 354.790 2.995 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000466557842 514689996 /nfs/dbraw/zinc/68/99/96/514689996.db2.gz YOPRYVOXVJZJPB-KSSFIOAISA-N 0 3 360.458 2.699 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1CCCC[C@H]1n1cccn1 ZINC000484653708 514733374 /nfs/dbraw/zinc/73/33/74/514733374.db2.gz QUPWCFCCCXLBAX-HUUCEWRRSA-N 0 3 357.414 2.812 20 5 FFBDHN Cc1cc(NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c(F)cc1[N+](=O)[O-] ZINC000461876890 514764174 /nfs/dbraw/zinc/76/41/74/514764174.db2.gz PNKWSEPAMKJWCS-AGUYFDCRSA-N 0 3 364.421 2.538 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000462160486 514917520 /nfs/dbraw/zinc/91/75/20/514917520.db2.gz UPJYDKACXWLFAS-LIRRHRJNSA-N 0 3 371.412 2.913 20 5 FFBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000489946954 515043103 /nfs/dbraw/zinc/04/31/03/515043103.db2.gz RGJWHKVRAFUAGL-HDMKZQKVSA-N 0 3 360.458 2.509 20 5 FFBDHN CNc1c(C(=O)NCc2ccc(OCCN(C)C)cc2)cccc1[N+](=O)[O-] ZINC000462985563 515321849 /nfs/dbraw/zinc/32/18/49/515321849.db2.gz IPTRKROLWVVESN-UHFFFAOYSA-N 0 3 372.425 2.507 20 5 FFBDHN CCN(CC)CCN(CC(C)C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000472586138 515324851 /nfs/dbraw/zinc/32/48/51/515324851.db2.gz NIECRSIYHSNTTF-UHFFFAOYSA-N 0 3 371.503 2.724 20 5 FFBDHN CC1CCN(CCNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000486217547 515384311 /nfs/dbraw/zinc/38/43/11/515384311.db2.gz QCGKBFYEFADXNV-UHFFFAOYSA-N 0 3 368.865 2.822 20 5 FFBDHN O=C(Cc1ccccc1)N1CCC[C@@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000509976703 515389398 /nfs/dbraw/zinc/38/93/98/515389398.db2.gz ILWSDYDDNGWBOB-GOSISDBHSA-N 0 3 353.422 2.918 20 5 FFBDHN C[C@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000491978286 515487451 /nfs/dbraw/zinc/48/74/51/515487451.db2.gz JHLAQOUXOHNYKB-WMLDXEAASA-N 0 3 366.893 2.706 20 5 FFBDHN CN(CCc1cccc(Br)c1)CCn1cc([N+](=O)[O-])cn1 ZINC000463418705 515488096 /nfs/dbraw/zinc/48/80/96/515488096.db2.gz ZNZPQSPJNYSFKD-UHFFFAOYSA-N 0 3 353.220 2.728 20 5 FFBDHN C[C@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000463843284 515637165 /nfs/dbraw/zinc/63/71/65/515637165.db2.gz CKMNNFOKMRMJFS-MRXNPFEDSA-N 0 3 370.453 2.668 20 5 FFBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000457088287 515640274 /nfs/dbraw/zinc/64/02/74/515640274.db2.gz RCKCVRZOMANCTR-MRXNPFEDSA-N 0 3 360.458 2.750 20 5 FFBDHN CC(C)N1CC[C@H](N(C)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000457093690 515643532 /nfs/dbraw/zinc/64/35/32/515643532.db2.gz YVMIWAZFANXKFK-KRWDZBQOSA-N 0 3 374.485 2.752 20 5 FFBDHN COc1cc(CN[C@@H]2CCC[C@]2(C)CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000493738909 515660787 /nfs/dbraw/zinc/66/07/87/515660787.db2.gz WECMUJQAOSHEQN-NVXWUHKLSA-N 0 3 374.384 2.888 20 5 FFBDHN CC(C)CN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCN(C)CC1 ZINC000464581221 515881958 /nfs/dbraw/zinc/88/19/58/515881958.db2.gz NNKWXOGEAWOTOV-UHFFFAOYSA-N 0 3 369.412 2.994 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000494669778 515918853 /nfs/dbraw/zinc/91/88/53/515918853.db2.gz CSIPEUQGRYEFIX-AWEZNQCLSA-N 0 3 357.410 2.854 20 5 FFBDHN C[C@@H]1CN(CCCCNc2c3ccccc3ncc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000488112782 516121222 /nfs/dbraw/zinc/12/12/22/516121222.db2.gz IJXLEUAWJUFKJQ-HUUCEWRRSA-N 0 3 358.442 2.866 20 5 FFBDHN COC[C@@H](CNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)OC ZINC000512385900 516258427 /nfs/dbraw/zinc/25/84/27/516258427.db2.gz BGIWXKRBHBFKIF-CQSZACIVSA-N 0 3 350.371 2.614 20 5 FFBDHN C[C@@H]1C[C@@H]1N1CCN(c2ncc(Br)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488727241 516295016 /nfs/dbraw/zinc/29/50/16/516295016.db2.gz WJRGMUKMWKPYDJ-LOWVWBTDSA-N 0 3 369.263 2.919 20 5 FFBDHN O=C(NC1CCN(C2CC2)CC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000543795629 516434063 /nfs/dbraw/zinc/43/40/63/516434063.db2.gz AFAKHKWZBHLWMW-UHFFFAOYSA-N 0 3 355.341 2.553 20 5 FFBDHN CN(C)c1ccccc1CN(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000554746482 516617994 /nfs/dbraw/zinc/61/79/94/516617994.db2.gz ZGVVQFKEKSBYHW-INIZCTEOSA-N 0 3 359.426 2.533 20 5 FFBDHN CC(C)Oc1ccc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000518758069 516763074 /nfs/dbraw/zinc/76/30/74/516763074.db2.gz QMHOPVWAWCDYQK-UHFFFAOYSA-N 0 3 358.398 2.895 20 5 FFBDHN COc1ccc(CNCCCN(C(=O)C2CCC2)C2CC2)cc1[N+](=O)[O-] ZINC000518794267 516778373 /nfs/dbraw/zinc/77/83/73/516778373.db2.gz XIDJWNMQSAYPQQ-UHFFFAOYSA-N 0 3 361.442 2.874 20 5 FFBDHN CN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H]1CCN(C2CC2)C1 ZINC000518899062 516812323 /nfs/dbraw/zinc/81/23/23/516812323.db2.gz PPCUVIQZESFXFZ-KRWDZBQOSA-N 0 3 372.469 2.506 20 5 FFBDHN C[C@H]1CCCN(CCNc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C1 ZINC000561880199 516812404 /nfs/dbraw/zinc/81/24/04/516812404.db2.gz BLHNBNIXQVVOEZ-AWEZNQCLSA-N 0 3 366.437 2.714 20 5 FFBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000558596184 516828464 /nfs/dbraw/zinc/82/84/64/516828464.db2.gz JEGNBSLDVVCTBW-IAGOWNOFSA-N 0 3 368.437 2.527 20 5 FFBDHN CC(C)N1CCN(c2cccc(NC(=O)c3cc([N+](=O)[O-])cn3C)c2)CC1 ZINC000536620351 516858275 /nfs/dbraw/zinc/85/82/75/516858275.db2.gz NZHIAOIYDWOKKZ-UHFFFAOYSA-N 0 3 371.441 2.716 20 5 FFBDHN COc1ccc(CC(=O)N2CCN(C3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000532232310 516866099 /nfs/dbraw/zinc/86/60/99/516866099.db2.gz MNDRCXGHACQNIQ-UHFFFAOYSA-N 0 3 361.442 2.623 20 5 FFBDHN CC(C)N1CCCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000514217797 516908499 /nfs/dbraw/zinc/90/84/99/516908499.db2.gz HOKGUIORJGSMPT-UHFFFAOYSA-N 0 3 357.357 2.753 20 5 FFBDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000555415193 516917090 /nfs/dbraw/zinc/91/70/90/516917090.db2.gz JEUGQODXSNZHJS-SJWGOKEGSA-N 0 3 359.426 2.859 20 5 FFBDHN Cc1ccc(OCCNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000551974737 517000219 /nfs/dbraw/zinc/00/02/19/517000219.db2.gz AVCRSQORXJJYBH-QGZVFWFLSA-N 0 3 360.410 2.620 20 5 FFBDHN C[C@@H]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000514683787 517003218 /nfs/dbraw/zinc/00/32/18/517003218.db2.gz IYNDFEXKKRMMAZ-OAHLLOKOSA-N 0 3 368.437 2.795 20 5 FFBDHN O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H](OCCN4CCCCC4)C3)c21 ZINC000541575775 517119249 /nfs/dbraw/zinc/11/92/49/517119249.db2.gz APLHYHLIMZXMRX-OAHLLOKOSA-N 0 3 371.441 2.619 20 5 FFBDHN C[C@@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])C(C)(C)CN(C)C ZINC000515100489 517212457 /nfs/dbraw/zinc/21/24/57/517212457.db2.gz AMRNLKAMTVSAOH-CYBMUJFWSA-N 0 3 373.457 2.948 20 5 FFBDHN Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)N2CCCC2)cc1 ZINC000519937043 517247360 /nfs/dbraw/zinc/24/73/60/517247360.db2.gz RIWHDXGXWNDSEZ-GOSISDBHSA-N 0 3 356.426 2.809 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000537673118 517289745 /nfs/dbraw/zinc/28/97/45/517289745.db2.gz BXQFNAFSSCFPFU-KRWDZBQOSA-N 0 3 351.472 2.687 20 5 FFBDHN C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@H](c1ccccc1)N(C)C ZINC000546024241 517496647 /nfs/dbraw/zinc/49/66/47/517496647.db2.gz MWFNMQPKDAVYRI-KPZWWZAWSA-N 0 3 371.393 2.745 20 5 FFBDHN CN1CCN([C@@H](CNCc2csc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000538283248 517540933 /nfs/dbraw/zinc/54/09/33/517540933.db2.gz RZXJGPMTAJCEII-AWEZNQCLSA-N 0 3 366.512 2.796 20 5 FFBDHN COc1ccc([C@@H](C)CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000538307402 517555821 /nfs/dbraw/zinc/55/58/21/517555821.db2.gz UFTXUHHRHKLGMU-HNNXBMFYSA-N 0 3 356.426 2.924 20 5 FFBDHN COC(=O)[C@H]1CCCC[C@]1(C)NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000538375515 517593565 /nfs/dbraw/zinc/59/35/65/517593565.db2.gz KJWSNAIMNWWPFT-KDOFPFPSSA-N 0 3 363.414 2.553 20 5 FFBDHN CC[C@H](C)N[C@@H](CNc1ncc(C(=O)OC)cc1[N+](=O)[O-])c1ccco1 ZINC000553264535 517611628 /nfs/dbraw/zinc/61/16/28/517611628.db2.gz MMYRIKDAXJXTBV-AAEUAGOBSA-N 0 3 362.386 2.911 20 5 FFBDHN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CC[C@H](N2CCCC2)C1 ZINC000542880372 517794819 /nfs/dbraw/zinc/79/48/19/517794819.db2.gz CFSAKURDWOCCSW-LBPRGKRZSA-N 0 3 355.341 2.507 20 5 FFBDHN CC(C)Oc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)N(C)C)cc1 ZINC000553671648 517842755 /nfs/dbraw/zinc/84/27/55/517842755.db2.gz UAQREAAPEWXUOA-GOSISDBHSA-N 0 3 374.441 2.753 20 5 FFBDHN CS[C@@H]1CN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C[C@@H]1N(C)C ZINC000534827659 518048236 /nfs/dbraw/zinc/04/82/36/518048236.db2.gz GEEJJVZARFTBFM-TUKIKUTGSA-N 0 3 369.512 2.579 20 5 FFBDHN O=[N+]([O-])c1cccc2ncnc(N3CCN(CCc4cccs4)CC3)c21 ZINC000543438929 518092383 /nfs/dbraw/zinc/09/23/83/518092383.db2.gz YOZSYLKNHHGXCX-UHFFFAOYSA-N 0 3 369.450 2.964 20 5 FFBDHN COc1ccc(OCCN2CC[C@H](C(C)(C)C)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000543476705 518111500 /nfs/dbraw/zinc/11/15/00/518111500.db2.gz TZXHBOVOQKCFPL-HOCLYGCPSA-N 0 3 352.431 2.711 20 5 FFBDHN CCc1n[nH]c(C(=O)NCc2ccccc2CN2CCCCC2)c1[N+](=O)[O-] ZINC000522514141 518119657 /nfs/dbraw/zinc/11/96/57/518119657.db2.gz FNMWZRKIWINXCU-UHFFFAOYSA-N 0 3 371.441 2.796 20 5 FFBDHN CSc1ccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)N(C)C)cc1 ZINC000564094414 518305028 /nfs/dbraw/zinc/30/50/28/518305028.db2.gz NOFVEVUXTVEUEZ-MRXNPFEDSA-N 0 3 374.466 2.932 20 5 FFBDHN CCCN(CCN1CCCCC1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000572746472 518341510 /nfs/dbraw/zinc/34/15/10/518341510.db2.gz ADXCTULDPGLNAF-UHFFFAOYSA-N 0 3 363.414 2.662 20 5 FFBDHN COc1cc(CN2CCN(C)C(C)(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000567177098 518391145 /nfs/dbraw/zinc/39/11/45/518391145.db2.gz ZIJZLIIYOUUNEK-UHFFFAOYSA-N 0 3 373.400 2.773 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2nnc(N3CCN(CC4CC4)CC3)n2C2CC2)cc1 ZINC000564734504 518588717 /nfs/dbraw/zinc/58/87/17/518588717.db2.gz JNAGZEZRNHLZFL-UHFFFAOYSA-N 0 3 368.441 2.720 20 5 FFBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000573284327 518592052 /nfs/dbraw/zinc/59/20/52/518592052.db2.gz VAEKBBMKLSLNFD-HNNXBMFYSA-N 0 3 355.385 2.652 20 5 FFBDHN CN1CC[C@@H]2OCCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)[C@@H]2C1 ZINC000585783611 518595686 /nfs/dbraw/zinc/59/56/86/518595686.db2.gz KQEBSEGZCLRTHT-SJORKVTESA-N 0 3 372.400 2.705 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@H](CO)C3CCOCC3)cs2)c1 ZINC000570425850 518602947 /nfs/dbraw/zinc/60/29/47/518602947.db2.gz FKPJJBNDPBTLPU-MRXNPFEDSA-N 0 3 363.439 2.595 20 5 FFBDHN Cc1c2ccccc2n(C)c1CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000567699726 518663200 /nfs/dbraw/zinc/66/32/00/518663200.db2.gz ZOLFYJCWKPWFGK-MRXNPFEDSA-N 0 3 369.421 2.924 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H]2CCCC(F)(F)C2)cc1 ZINC000579464877 518693609 /nfs/dbraw/zinc/69/36/09/518693609.db2.gz YGYJPVCXGRDFMA-LBPRGKRZSA-N 0 3 362.398 2.784 20 5 FFBDHN C[C@H](C(=O)N(CCN(C)C)Cc1cccc(O)c1)c1cccc([N+](=O)[O-])c1 ZINC000582702908 518880348 /nfs/dbraw/zinc/88/03/48/518880348.db2.gz OFEQHURUFSKQDN-HNNXBMFYSA-N 0 3 371.437 2.994 20 5 FFBDHN CC1CCN(CCN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000573987834 518932480 /nfs/dbraw/zinc/93/24/80/518932480.db2.gz DRYJTDMCXCKQGX-SFHVURJKSA-N 0 3 357.458 2.739 20 5 FFBDHN CN(C)C[C@@H]1CCCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000568472659 519053048 /nfs/dbraw/zinc/05/30/48/519053048.db2.gz QZVYNCBSLIZBGI-HNNXBMFYSA-N 0 3 357.414 2.541 20 5 FFBDHN C[C@@H]1C[C@@H](CCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000571515837 519135231 /nfs/dbraw/zinc/13/52/31/519135231.db2.gz AQYVNPUBQIDHGD-QDMKHBRRSA-N 0 3 370.471 2.552 20 5 FFBDHN Cc1cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1CN(C)C ZINC000568838845 519237808 /nfs/dbraw/zinc/23/78/08/519237808.db2.gz ODSIJWLQFPIEOH-UHFFFAOYSA-N 0 3 357.366 2.946 20 5 FFBDHN CC[C@@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000568857655 519252170 /nfs/dbraw/zinc/25/21/70/519252170.db2.gz KZCWTPYGFJAVNB-LLVKDONJSA-N 0 3 368.377 2.937 20 5 FFBDHN COc1ccc([C@H](CNc2ccc(N)c([N+](=O)[O-])n2)N2CCCCC2)cc1 ZINC000590569933 519270742 /nfs/dbraw/zinc/27/07/42/519270742.db2.gz RLISONUJXKXMHQ-KRWDZBQOSA-N 0 3 371.441 2.642 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000574946930 519416428 /nfs/dbraw/zinc/41/64/28/519416428.db2.gz GHACBOHOZRWEFN-CQSZACIVSA-N 0 3 364.446 2.780 20 5 FFBDHN Cc1ccnc([C@@H]2CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)c1 ZINC000566429319 519487770 /nfs/dbraw/zinc/48/77/70/519487770.db2.gz SNYLECDLDHUMCB-HZPDHXFCSA-N 0 3 357.410 2.527 20 5 FFBDHN C[C@@H](C(=O)NCc1ccc(OCCN(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000572341992 519565104 /nfs/dbraw/zinc/56/51/04/519565104.db2.gz LWYCVXCVKDDATN-OAHLLOKOSA-N 0 3 371.437 2.955 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC=C(c2cnn(C)c2)C1 ZINC000602886880 519951238 /nfs/dbraw/zinc/95/12/38/519951238.db2.gz JWIGCMAHYDSMGC-UHFFFAOYSA-N 0 3 369.425 2.755 20 5 FFBDHN CN1CC[C@]2(C1)CCCN(C(=O)c1ccc(NC3CC3)c([N+](=O)[O-])c1)C2 ZINC000597715573 520194496 /nfs/dbraw/zinc/19/44/96/520194496.db2.gz MUYOMLQNLVCPIS-IBGZPJMESA-N 0 3 358.442 2.727 20 5 FFBDHN Cn1cc(CNCCO[C@H]2CC2(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594970804 520234030 /nfs/dbraw/zinc/23/40/30/520234030.db2.gz NSOPEPQWRHBBFA-AWEZNQCLSA-N 0 3 352.341 2.509 20 5 FFBDHN CN(Cc1nc(C2C[C@H]3CC[C@@H](C2)N3C)no1)c1ccccc1[N+](=O)[O-] ZINC000612954716 520236482 /nfs/dbraw/zinc/23/64/82/520236482.db2.gz NZNWBBLEDKTUJT-AGUYFDCRSA-N 0 3 357.414 2.954 20 5 FFBDHN COC(=O)COc1ccc(CNC[C@H]2C(C)(C)C2(F)F)cc1[N+](=O)[O-] ZINC000594991177 520246052 /nfs/dbraw/zinc/24/60/52/520246052.db2.gz FQIKTISQBOGNIK-ZDUSSCGKSA-N 0 3 358.341 2.528 20 5 FFBDHN CC(C)[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)C1(CO)CC=CC1 ZINC000592179428 520248709 /nfs/dbraw/zinc/24/87/09/520248709.db2.gz QJEMLUJEABMPFL-SFHVURJKSA-N 0 3 362.426 2.904 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H](C(C)C)N1CCOCC1 ZINC000595003732 520252939 /nfs/dbraw/zinc/25/29/39/520252939.db2.gz KZFCVEGJXHZPNE-PBHICJAKSA-N 0 3 351.447 2.611 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000595022687 520260926 /nfs/dbraw/zinc/26/09/26/520260926.db2.gz VBBOCMZCAMFIKB-JCGIZDLHSA-N 0 3 363.458 2.897 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](CO)[C@H]1CCC[C@@H](OC)C1 ZINC000595061413 520273928 /nfs/dbraw/zinc/27/39/28/520273928.db2.gz KTWDIADVLYUMQW-YOKBYHGQSA-N 0 3 352.431 2.820 20 5 FFBDHN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000595256575 520375401 /nfs/dbraw/zinc/37/54/01/520375401.db2.gz CRCUDZLNKLOUQG-SFHVURJKSA-N 0 3 370.409 2.696 20 5 FFBDHN CCOc1cc(CN2CCCN(C[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000617194780 520376967 /nfs/dbraw/zinc/37/69/67/520376967.db2.gz OLQDVQUCSJMFBJ-KRWDZBQOSA-N 0 3 363.458 2.680 20 5 FFBDHN C[C@@H]1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCS1 ZINC000617263864 520402610 /nfs/dbraw/zinc/40/26/10/520402610.db2.gz HIVSCRIIWJRPJU-GFCCVEGCSA-N 0 3 351.428 2.720 20 5 FFBDHN CCOC(=O)c1ccnc(NCCN2CCCC[C@@H]2CC)c1[N+](=O)[O-] ZINC000609963711 520491596 /nfs/dbraw/zinc/49/15/96/520491596.db2.gz HVQZWASCAOEMCD-ZDUSSCGKSA-N 0 3 350.419 2.843 20 5 FFBDHN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000604482585 520573851 /nfs/dbraw/zinc/57/38/51/520573851.db2.gz QXTDWKPCEZSMSX-UHFFFAOYSA-N 0 3 354.410 2.586 20 5 FFBDHN COc1cc(C(=O)N(CCN(C)C)C2CCCC2)cc([N+](=O)[O-])c1OC ZINC000610198063 520577228 /nfs/dbraw/zinc/57/72/28/520577228.db2.gz OXBXWDVTMRAXOG-UHFFFAOYSA-N 0 3 365.430 2.558 20 5 FFBDHN CCCN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000592828295 520604804 /nfs/dbraw/zinc/60/48/04/520604804.db2.gz FTKGOMYYCHYDCN-CQSZACIVSA-N 0 3 369.849 2.960 20 5 FFBDHN COc1ccccc1C[C@@](C)(CO)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000601153828 520663431 /nfs/dbraw/zinc/66/34/31/520663431.db2.gz UNXCLNQXPWUMSV-IBGZPJMESA-N 0 3 360.410 2.695 20 5 FFBDHN CC(C)(C)OC(=O)CCC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000595719249 520670771 /nfs/dbraw/zinc/67/07/71/520670771.db2.gz YPVWAACVSBXIER-UHFFFAOYSA-N 0 3 352.435 2.625 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](CO)[C@H](C)c2ccccc2)c1 ZINC000593024421 520692225 /nfs/dbraw/zinc/69/22/25/520692225.db2.gz DOHYXWWECRHGPD-CXAGYDPISA-N 0 3 358.394 2.636 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](OC(C)C)C1 ZINC000593055572 520713084 /nfs/dbraw/zinc/71/30/84/520713084.db2.gz LYLMZCJLVFLWBY-OAHLLOKOSA-N 0 3 365.430 2.821 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC([C@H]2CCCCO2)CC1 ZINC000595785770 520723607 /nfs/dbraw/zinc/72/36/07/520723607.db2.gz ZHLKHVVUHMABQS-FUHWJXTLSA-N 0 3 364.442 2.616 20 5 FFBDHN Cc1cc(S(=O)(=O)[N-]Cc2cccc(C[NH+](C)C)c2)c([N+](=O)[O-])s1 ZINC000601302044 520730075 /nfs/dbraw/zinc/73/00/75/520730075.db2.gz DFFGYHVVIDIRIX-UHFFFAOYSA-N 0 3 369.468 2.505 20 5 FFBDHN Cc1ccc(CN(CCN(C)C)C(=O)Cc2ccc(F)cc2[N+](=O)[O-])o1 ZINC000593092062 520740590 /nfs/dbraw/zinc/74/05/90/520740590.db2.gz RYEARGSJPJXIEW-UHFFFAOYSA-N 0 3 363.389 2.768 20 5 FFBDHN Cc1ccc(S(=O)(=O)N(C)[C@H](C)C2CCN(C)CC2)c(C)c1[N+](=O)[O-] ZINC000598608898 520741117 /nfs/dbraw/zinc/74/11/17/520741117.db2.gz UKZDAGCIDXLHPU-CQSZACIVSA-N 0 3 369.487 2.562 20 5 FFBDHN Cc1ccc(S(=O)(=O)N(C)CC[C@H]2CCCCN2C)c(C)c1[N+](=O)[O-] ZINC000598613888 520744000 /nfs/dbraw/zinc/74/40/00/520744000.db2.gz ZIAWBVKWQWLJSW-OAHLLOKOSA-N 0 3 369.487 2.707 20 5 FFBDHN Cc1cc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000598829585 520864102 /nfs/dbraw/zinc/86/41/02/520864102.db2.gz ZKWHYDPFLJXOIT-RYUDHWBXSA-N 0 3 362.304 2.826 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@H]1CCN1C1CCCCC1)OCCO2 ZINC000598991748 520963544 /nfs/dbraw/zinc/96/35/44/520963544.db2.gz FMCMZUJPLLAUMA-MRXNPFEDSA-N 0 3 361.442 2.863 20 5 FFBDHN CN(c1ccccc1)c1ccc(CNCCN2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000599018443 520981905 /nfs/dbraw/zinc/98/19/05/520981905.db2.gz IMHZKYYQCQZPBV-SFHVURJKSA-N 0 3 370.453 2.519 20 5 FFBDHN CN(C)Cc1cccc(N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000601930059 521032157 /nfs/dbraw/zinc/03/21/57/521032157.db2.gz DLVAYDDCBFOWPT-SFHVURJKSA-N 0 3 354.410 2.874 20 5 FFBDHN CN(Cc1ccccc1)C[C@@H](O)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000611198206 521033778 /nfs/dbraw/zinc/03/37/78/521033778.db2.gz ZDDMLCAYTMUCNR-HXUWFJFHSA-N 0 3 366.421 2.951 20 5 FFBDHN CCC1(N2CCOCC2)CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000599183491 521075350 /nfs/dbraw/zinc/07/53/50/521075350.db2.gz PSDWLOUXDILDKJ-UHFFFAOYSA-N 0 3 359.430 2.552 20 5 FFBDHN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000593560665 521078448 /nfs/dbraw/zinc/07/84/48/521078448.db2.gz WBNFYRAERDSOML-ONGXEEELSA-N 0 3 372.303 2.579 20 5 FFBDHN CCCN1CC[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000596694808 521227538 /nfs/dbraw/zinc/22/75/38/521227538.db2.gz OBSYEIGKXRYJMT-JTQLQIEISA-N 0 3 358.345 2.802 20 5 FFBDHN CN(C)CCOc1cc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)ccn1 ZINC000602265317 521246528 /nfs/dbraw/zinc/24/65/28/521246528.db2.gz SKPXCRNCAYBIKI-UHFFFAOYSA-N 0 3 370.409 2.523 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000596788463 521284671 /nfs/dbraw/zinc/28/46/71/521284671.db2.gz TXJCJAXPMHEXGS-HNNXBMFYSA-N 0 3 362.430 2.586 20 5 FFBDHN CN(C)C(=O)CCCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000594014454 521349266 /nfs/dbraw/zinc/34/92/66/521349266.db2.gz QVYVUCAYABJBGH-QAQDUYKDSA-N 0 3 363.458 2.569 20 5 FFBDHN COC(=O)[C@@](C)(NC[C@@H]1CCCCN1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000599651139 521361919 /nfs/dbraw/zinc/36/19/19/521361919.db2.gz HGTMWXDGPBRPEN-HKUYNNGSSA-N 0 3 363.458 2.836 20 5 FFBDHN COc1ccc(NC(=O)CCN[C@H](C)c2cnccc2C)c([N+](=O)[O-])c1 ZINC000611938877 521401760 /nfs/dbraw/zinc/40/17/60/521401760.db2.gz AVULYUKONLXCQL-CYBMUJFWSA-N 0 3 358.398 2.986 20 5 FFBDHN COc1ccc(F)cc1CNC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602621573 521441318 /nfs/dbraw/zinc/44/13/18/521441318.db2.gz IGIHYHXCYKZWQN-UHFFFAOYSA-N 0 3 360.389 2.896 20 5 FFBDHN CC(C)(CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000612029833 521446938 /nfs/dbraw/zinc/44/69/38/521446938.db2.gz DNCSPKABIHAWEL-UHFFFAOYSA-N 0 3 362.451 2.936 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H]1c1ccc(O)cc1 ZINC000612094698 521478116 /nfs/dbraw/zinc/47/81/16/521478116.db2.gz RDOLKPSJLCNFGU-IRXDYDNUSA-N 0 3 358.394 2.877 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H]1c1ccc(O)cc1 ZINC000612094700 521478255 /nfs/dbraw/zinc/47/82/55/521478255.db2.gz RDOLKPSJLCNFGU-SJORKVTESA-N 0 3 358.394 2.877 20 5 FFBDHN CN1CCC[C@@]2(CCN(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3N)C2)C1 ZINC000597093868 521499249 /nfs/dbraw/zinc/49/92/49/521499249.db2.gz ZAGNQXADIPYIRD-MRXNPFEDSA-N 0 3 367.837 2.780 20 5 FFBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCN([C@H]2CCCN(C)C2)CC1 ZINC000615835651 521551421 /nfs/dbraw/zinc/55/14/21/521551421.db2.gz XVAUGACNKLJICN-NXNYUAIASA-N 0 3 358.486 2.710 20 5 FFBDHN Cc1ncc(CNC(=O)CCN(C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000602822432 521553438 /nfs/dbraw/zinc/55/34/38/521553438.db2.gz FGPRTTRNRLRLRM-UHFFFAOYSA-N 0 3 362.455 2.541 20 5 FFBDHN Cc1cc(OCC(=O)N2CCC[C@H]2CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000619536559 521758105 /nfs/dbraw/zinc/75/81/05/521758105.db2.gz YDKQELZYVQDINL-INIZCTEOSA-N 0 3 361.442 2.759 20 5 FFBDHN C[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824591580 608467277 /nfs/dbraw/zinc/46/72/77/608467277.db2.gz IXXQJWXBNUJVJO-CYBMUJFWSA-N 0 3 368.397 2.895 20 5 FFBDHN C[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824591580 608467279 /nfs/dbraw/zinc/46/72/79/608467279.db2.gz IXXQJWXBNUJVJO-CYBMUJFWSA-N 0 3 368.397 2.895 20 5 FFBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H]2COc2ccc(Cl)cc2)c1 ZINC000746656306 735501808 /nfs/dbraw/zinc/50/18/08/735501808.db2.gz XHKWGWIDMDDQKH-CQSZACIVSA-N 0 3 350.806 2.988 20 5 FFBDHN Cc1cc(S(=O)(=O)N(C)CC[C@H]2CCCCN2C)cc([N+](=O)[O-])c1F ZINC000093002859 728473024 /nfs/dbraw/zinc/47/30/24/728473024.db2.gz RATZDHMMJFDJSX-CYBMUJFWSA-N 0 3 373.450 2.537 20 5 FFBDHN C[C@@H]1CN(CCCCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H](C)O1 ZINC000119107457 728588039 /nfs/dbraw/zinc/58/80/39/728588039.db2.gz PTEGVJQRUDWOHB-BETUJISGSA-N 0 3 369.849 2.867 20 5 FFBDHN COc1cc(CN[C@H](C)C[C@@H](O)c2ccco2)c([N+](=O)[O-])cc1OC ZINC000130552314 728719417 /nfs/dbraw/zinc/71/94/17/728719417.db2.gz VRMMITFOOFJLAL-BXUZGUMPSA-N 0 3 350.371 2.807 20 5 FFBDHN CC[C@@](C)(CC(=O)OC)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000134145810 728728826 /nfs/dbraw/zinc/72/88/26/728728826.db2.gz DHTLDMOYQVULRE-HNNXBMFYSA-N 0 3 357.794 2.508 20 5 FFBDHN CN1CCCC[C@@H]1CCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000859689107 730463056 /nfs/dbraw/zinc/46/30/56/730463056.db2.gz NAPSEDPDIQJLEA-GFCCVEGCSA-N 0 3 352.362 2.724 20 5 FFBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000874832575 732104962 /nfs/dbraw/zinc/10/49/62/732104962.db2.gz FXRPAPWJXNNTGN-QWHCGFSZSA-N 0 3 355.341 2.505 20 5 FFBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000874837253 732106030 /nfs/dbraw/zinc/10/60/30/732106030.db2.gz KDHRYTIVDCPRMV-QWHCGFSZSA-N 0 3 357.332 2.922 20 5 FFBDHN C[C@](CO)(NC[C@@H](O)c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000879272942 732676665 /nfs/dbraw/zinc/67/66/65/732676665.db2.gz FOUCORCMPRWESP-IAGOWNOFSA-N 0 3 350.802 2.779 20 5 FFBDHN CCOc1ccc([C@@H](C)NC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1[N+](=O)[O-] ZINC000927042359 738685171 /nfs/dbraw/zinc/68/51/71/738685171.db2.gz YAXURBLOQFHLFI-JZIBPQBNSA-N 0 3 368.455 2.752 20 5 FFBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000923298433 738267378 /nfs/dbraw/zinc/26/73/78/738267378.db2.gz CKLLBHJYVLUOEE-BNOWGMLFSA-N 0 3 367.833 2.711 20 5 FFBDHN O=C(N1CCC[C@@H](N2CCCC2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778263262 738367707 /nfs/dbraw/zinc/36/77/07/738367707.db2.gz ZFDGKUMWCDOWSA-OAHLLOKOSA-N 0 3 353.369 2.773 20 5 FFBDHN O=C(NC[C@H]1CCN1C1CCOCC1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000931296888 739240079 /nfs/dbraw/zinc/24/00/79/739240079.db2.gz CNUAPDRCVYHAMQ-GFCCVEGCSA-N 0 3 368.821 2.623 20 5 FFBDHN O=C(CN[C@@H]1CCOC12CCCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000934390013 739779520 /nfs/dbraw/zinc/77/95/20/739779520.db2.gz GIFFIQSQTLJYKA-CQSZACIVSA-N 0 3 353.806 2.878 20 5 FFBDHN CN(C)C[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000802375160 740699330 /nfs/dbraw/zinc/69/93/30/740699330.db2.gz HAYNWFKGODGYQL-OAHLLOKOSA-N 0 3 362.817 2.863 20 5 FFBDHN C[C@@H]1CN(CCCCNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000804539981 740882109 /nfs/dbraw/zinc/88/21/09/740882109.db2.gz RGBXTUUJPKFCJM-BETUJISGSA-N 0 3 352.391 2.804 20 5 FFBDHN O=[N+]([O-])c1ccc(CNCCn2cc(Br)cn2)cc1Cl ZINC000809710238 741335250 /nfs/dbraw/zinc/33/52/50/741335250.db2.gz OGYOGCJMTYCQNM-UHFFFAOYSA-N 0 3 359.611 2.997 20 5 FFBDHN CC(COC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2)[N+](=O)[O-] ZINC000813107173 741677987 /nfs/dbraw/zinc/67/79/87/741677987.db2.gz LJRBFWFUTUGGGS-NSHDSACASA-N 0 3 350.371 2.759 20 5 FFBDHN CC(COC(=O)C[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)[N+](=O)[O-] ZINC000813112877 741678221 /nfs/dbraw/zinc/67/82/21/741678221.db2.gz VMQFPFVXANYVFI-OLZOCXBDSA-N 0 3 358.435 2.868 20 5 FFBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1cccc(Br)c1 ZINC000813111989 741678424 /nfs/dbraw/zinc/67/84/24/741678424.db2.gz BNXTUAJYFIUUFY-VIFPVBQESA-N 0 3 368.187 2.765 20 5 FFBDHN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813112641 741678488 /nfs/dbraw/zinc/67/84/88/741678488.db2.gz SAFKJQFYANXRGF-SECBINFHSA-N 0 3 355.753 2.854 20 5 FFBDHN C[C@@]1(NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CN2CCC1CC2 ZINC000824894805 743172972 /nfs/dbraw/zinc/17/29/72/743172972.db2.gz MCPXIDNIUACASG-QGZVFWFLSA-N 0 3 351.834 2.781 20 5 FFBDHN CC1(C)[C@H](NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]2CCCO[C@@H]21 ZINC000831319778 745514426 /nfs/dbraw/zinc/51/44/26/745514426.db2.gz AHJPQWYWHJEWPS-LYRGGWFBSA-N 0 3 367.833 2.980 20 5 FFBDHN O=C1NC(CC(F)(F)F)C(=O)N1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000843315980 747810655 /nfs/dbraw/zinc/81/06/55/747810655.db2.gz FUMTXKUCYZHVRV-SSDOTTSWSA-N 0 3 371.193 2.991 20 5 FFBDHN Cc1csc(=O)n1CCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845872287 748340885 /nfs/dbraw/zinc/34/08/85/748340885.db2.gz FZFJWUUVFXLIFL-XHDPSFHLSA-N 0 3 368.386 2.697 20 5 FFBDHN CO[C@@H]1COCC[C@@H]1CC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845875691 748342381 /nfs/dbraw/zinc/34/23/81/748342381.db2.gz BDYJPAQIXMXFON-NENTXLIVSA-N 0 3 355.362 2.517 20 5 FFBDHN CC([C@@H](OC(=O)c1ccn(CC(F)F)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845881470 748343296 /nfs/dbraw/zinc/34/32/96/748343296.db2.gz LATPHQFXJIGVSH-LKFCYVNXSA-N 0 3 357.288 2.851 20 5 FFBDHN COCc1ncc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])s1 ZINC000845883780 748345079 /nfs/dbraw/zinc/34/50/79/748345079.db2.gz VXTSAXDWKAGQMC-OTYXRUKQSA-N 0 3 354.359 2.992 20 5 FFBDHN C[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cc2cnccc2o1 ZINC001175637682 1013518887 /nfs/dbraw/zinc/51/88/87/1013518887.db2.gz AYWXYNIWEMONJA-GXTWGEPZSA-N 0 3 357.366 2.827 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C(CC)CC)N(C)C ZINC001211530575 965567106 /nfs/dbraw/zinc/56/71/06/965567106.db2.gz GTZGTQPQTABMHQ-INIZCTEOSA-N 0 3 371.503 2.802 20 5 FFBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(C2CCCC2)[C@@H](C)C1 ZINC001176154999 1013647755 /nfs/dbraw/zinc/64/77/55/1013647755.db2.gz TVZBNJJDKFURJY-GJZGRUSLSA-N 0 3 360.458 2.871 20 5 FFBDHN O=[N+]([O-])c1ccc(NC[C@H]2CN3CCC[C@H]3CO2)nc1-c1ccccc1 ZINC000761210201 984905157 /nfs/dbraw/zinc/90/51/57/984905157.db2.gz ILOGBWQOGRVBOV-HOTGVXAUSA-N 0 3 354.410 2.932 20 5 FFBDHN CCCn1ccnc1CCCN(C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000762078274 988106393 /nfs/dbraw/zinc/10/63/93/988106393.db2.gz XGOXSNMYIDMYMP-UHFFFAOYSA-N 0 3 371.445 2.777 20 5 FFBDHN Cn1cc(C(=O)OCCN2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000919678288 990707440 /nfs/dbraw/zinc/70/74/40/990707440.db2.gz RSQMOEGTAHKNCT-UHFFFAOYSA-N 0 3 358.398 2.638 20 5 FFBDHN CC(COC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1)[N+](=O)[O-] ZINC000813107426 995624553 /nfs/dbraw/zinc/62/45/53/995624553.db2.gz NEELPQIIBCEBAZ-HOCLYGCPSA-N 0 3 370.405 2.900 20 5 FFBDHN Nc1ccc(NC(=O)N2CCN(CC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000823998228 996774408 /nfs/dbraw/zinc/77/44/08/996774408.db2.gz LNKOZCBRASVKNE-UHFFFAOYSA-N 0 3 361.446 2.907 20 5 FFBDHN CC(C)(C)N1CC[C@H]1COC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000845727350 998639214 /nfs/dbraw/zinc/63/92/14/998639214.db2.gz BJMWGHRZLSVBPG-AWEZNQCLSA-N 0 3 358.398 2.810 20 5 FFBDHN CC([C@@H](OC(=O)[C@@H]1Cc2ccccc2C(=O)O1)c1ccccc1F)[N+](=O)[O-] ZINC000845872666 998676172 /nfs/dbraw/zinc/67/61/72/998676172.db2.gz LJMZOSYZSQQZKQ-ZTFRIQLXSA-N 0 3 373.336 2.857 20 5 FFBDHN Cc1ccc(N2CCC[C@@H](NC[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000743463893 999820230 /nfs/dbraw/zinc/82/02/30/999820230.db2.gz YUGJAAOREQJHGE-RTBURBONSA-N 0 3 369.421 2.722 20 5 FFBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCN(c3ncccc3C(F)(F)F)CC2)C1 ZINC001169006820 1000015119 /nfs/dbraw/zinc/01/51/19/1000015119.db2.gz JKPOIRUHFQWICT-OLZOCXBDSA-N 0 3 358.364 2.668 20 5 FFBDHN Cc1cc(N2CCN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)n(-c2ccccc2)n1 ZINC001169038889 1000017008 /nfs/dbraw/zinc/01/70/08/1000017008.db2.gz LDMRZRZCQYGNNW-PKOBYXMFSA-N 0 3 369.469 2.748 20 5 FFBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)C1 ZINC001169025133 1000018300 /nfs/dbraw/zinc/01/83/00/1000018300.db2.gz XUGAKPVNMMPPLI-LTFXXXRZSA-N 0 3 352.475 2.870 20 5 FFBDHN COc1ccc2c(c1)NC(=O)C[C@@H]2CNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001169922503 1000088264 /nfs/dbraw/zinc/08/82/64/1000088264.db2.gz OMELCGAUZMSTFT-CYBMUJFWSA-N 0 3 368.393 2.745 20 5 FFBDHN CN1CCN(CCCNc2ccc(N)cc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000804345046 1000093635 /nfs/dbraw/zinc/09/36/35/1000093635.db2.gz SVWXXVDMRSUWIS-FQEVSTJZSA-N 0 3 369.469 2.968 20 5 FFBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1cccc2c1OCCO2 ZINC000772982511 1000909348 /nfs/dbraw/zinc/90/93/48/1000909348.db2.gz JIDYXBADGIYBMV-CYBMUJFWSA-N 0 3 371.393 2.873 20 5 FFBDHN Cc1cc(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)c(N)c([N+](=O)[O-])c1 ZINC000771598405 1001154878 /nfs/dbraw/zinc/15/48/78/1001154878.db2.gz XSDLIICZCRORQV-SCLBCKFNSA-N 0 3 356.426 2.907 20 5 FFBDHN CN1CC(CNc2cc([N+](=O)[O-])cc3cc(Br)cnc32)C1 ZINC001170256366 1003077757 /nfs/dbraw/zinc/07/77/57/1003077757.db2.gz IKQPBLDNRPUMBS-UHFFFAOYSA-N 0 3 351.204 2.879 20 5 FFBDHN COC(=O)C[C@H](N[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])c1cccnc1 ZINC001170313302 1003104703 /nfs/dbraw/zinc/10/47/03/1003104703.db2.gz KUPLQDBCZBDXTQ-DYVFJYSZSA-N 0 3 373.409 2.823 20 5 FFBDHN COC(=O)C[C@@H](N[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])c1cccnc1 ZINC001170313304 1003104917 /nfs/dbraw/zinc/10/49/17/1003104917.db2.gz KUPLQDBCZBDXTQ-SUMWQHHRSA-N 0 3 373.409 2.823 20 5 FFBDHN COc1ccc(C[C@@H](C)N2CC[C@@H](Oc3ncc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC001170355634 1003122838 /nfs/dbraw/zinc/12/28/38/1003122838.db2.gz NGOOEWSNYDSDCH-RHSMWYFYSA-N 0 3 372.425 2.786 20 5 FFBDHN CCO[C@@H]1CN([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])[C@@H]2CCCO[C@H]12 ZINC001170341390 1003130303 /nfs/dbraw/zinc/13/03/03/1003130303.db2.gz QBWZUVHJNCIYOX-AZFSHXRASA-N 0 3 364.442 2.803 20 5 FFBDHN COC(=O)[C@H]1CC[C@@H](C)N([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170348020 1003134006 /nfs/dbraw/zinc/13/40/06/1003134006.db2.gz UUYHXSMASAVHFH-IPYPFGDCSA-N 0 3 350.415 2.808 20 5 FFBDHN COc1ccc(C[C@@H](C)N2C[C@@H]3COC[C@H](C2)C3(F)F)c([N+](=O)[O-])c1 ZINC001170351013 1003134922 /nfs/dbraw/zinc/13/49/22/1003134922.db2.gz DGKDJKJBHOKBIN-BNOWGMLFSA-N 0 3 356.369 2.748 20 5 FFBDHN COc1ccc(C[C@@H](C)N2CCC(N3CCCC3=O)CC2)c([N+](=O)[O-])c1 ZINC001170351779 1003137377 /nfs/dbraw/zinc/13/73/77/1003137377.db2.gz IQKWZVVFHHBATJ-CQSZACIVSA-N 0 3 361.442 2.621 20 5 FFBDHN CO[C@@]1(C)C[C@H](NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1(C)C ZINC001170385907 1003138393 /nfs/dbraw/zinc/13/83/93/1003138393.db2.gz KHWIETOWUGQMPI-BBRMVZONSA-N 0 3 355.822 2.980 20 5 FFBDHN CCOC(=O)[C@H](Cc1ccc(F)cc1)Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001170402142 1003145839 /nfs/dbraw/zinc/14/58/39/1003145839.db2.gz CRIUGEWBVJWTKQ-KRWDZBQOSA-N 0 3 373.384 2.923 20 5 FFBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)CCCN(C)Cc1ccco1 ZINC000804841081 1003874927 /nfs/dbraw/zinc/87/49/27/1003874927.db2.gz PPTVPUBGLNOINA-UHFFFAOYSA-N 0 3 360.414 2.506 20 5 FFBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@]1(C)CN2CCC1CC2 ZINC001130798607 1004478050 /nfs/dbraw/zinc/47/80/50/1004478050.db2.gz HOYHPPQLZSLMNC-DIFFPNOSSA-N 0 3 367.833 2.616 20 5 FFBDHN COc1cc(C[NH2+]CCCN2CCc3ccccc32)c([N+](=O)[O-])cc1[O-] ZINC001199110434 1004844403 /nfs/dbraw/zinc/84/44/03/1004844403.db2.gz NEGNYLSAWHDMSY-UHFFFAOYSA-N 0 3 357.410 2.851 20 5 FFBDHN CC(=O)c1c(NCc2ccccc2CN2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000882171850 1006311074 /nfs/dbraw/zinc/31/10/74/1006311074.db2.gz MBMQHHCYZVNCJE-QGZVFWFLSA-N 0 3 369.421 2.976 20 5 FFBDHN O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)c1cc([N+](=O)[O-])ccc1F ZINC000854572771 1006898786 /nfs/dbraw/zinc/89/87/86/1006898786.db2.gz GPDLQGHYHYCRCO-HNNXBMFYSA-N 0 3 359.357 2.553 20 5 FFBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC001137204355 1007303563 /nfs/dbraw/zinc/30/35/63/1007303563.db2.gz DALGMRAQLFJWGT-KBPBESRZSA-N 0 3 367.421 2.662 20 5 FFBDHN CN1CCN(C2CCN(c3cccc(C(F)(F)F)c3[N+](=O)[O-])CC2)CC1 ZINC000884574107 1007481343 /nfs/dbraw/zinc/48/13/43/1007481343.db2.gz BASVZDPGASXASH-UHFFFAOYSA-N 0 3 372.391 2.830 20 5 FFBDHN O=C1CCCN1Cc1ccccc1CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818947281 1007989635 /nfs/dbraw/zinc/98/96/35/1007989635.db2.gz BAGFOSOULCLZQW-LJQANCHMSA-N 0 3 369.421 2.540 20 5 FFBDHN Cc1ccc(O[C@@H]2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000858040064 1008286575 /nfs/dbraw/zinc/28/65/75/1008286575.db2.gz BNWDDVQOAQCFAJ-QGZVFWFLSA-N 0 3 370.409 2.780 20 5 FFBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCCN(Cc3ccc(F)cc3)CC2)c1 ZINC000136897695 1008554318 /nfs/dbraw/zinc/55/43/18/1008554318.db2.gz IDYSAGGAMNNLCZ-FQEVSTJZSA-N 0 3 373.428 2.975 20 5 FFBDHN O=[N+]([O-])c1ccc(CCN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000118866636 1009788929 /nfs/dbraw/zinc/78/89/29/1009788929.db2.gz MBNHMAVEZHPEGF-AWEZNQCLSA-N 0 3 357.370 2.627 20 5 FFBDHN CN1CC[C@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000867031702 1011926041 /nfs/dbraw/zinc/92/60/41/1011926041.db2.gz VRPFWCVPEUYINF-LPHOPBHVSA-N 0 3 357.385 2.838 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NC2CN(c3ccccn3)C2)c1F ZINC001173181718 1012324787 /nfs/dbraw/zinc/32/47/87/1012324787.db2.gz PUWSEOALIFLBEB-GFCCVEGCSA-N 0 3 360.389 2.547 20 5 FFBDHN CN(C)CCN(CCc1ccccc1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801824365 1019419438 /nfs/dbraw/zinc/41/94/38/1019419438.db2.gz DQDIVTPMRKPVAW-UHFFFAOYSA-N 0 3 374.416 2.563 20 5 FFBDHN C[C@@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)OC(C)(C)C ZINC000828917139 1032904511 /nfs/dbraw/zinc/90/45/11/1032904511.db2.gz DOOLIINGPWUFHC-XYPHTWIQSA-N 0 3 364.442 2.928 20 5 FFBDHN C[C@@H](NCC(=O)NC[C@@H](c1ccccc1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000932177399 1020734073 /nfs/dbraw/zinc/73/40/73/1020734073.db2.gz PFYWMXXDMOESPP-BEFAXECRSA-N 0 3 370.453 2.665 20 5 FFBDHN COc1ccccc1N1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000934178432 1021159490 /nfs/dbraw/zinc/15/94/90/1021159490.db2.gz ZQJHCBNLSBMEHH-IBGZPJMESA-N 0 3 371.437 2.849 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ncn(CN3CCCC[C@@H]3[C@@H]3CCC[C@@H]3O)n2)cc1 ZINC000840117671 1026965868 /nfs/dbraw/zinc/96/58/68/1026965868.db2.gz WCVCOESDWYUQCK-KSZLIROESA-N 0 3 371.441 2.826 20 5 FFBDHN C[C@H]1CC[C@H](C)N1CC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001153484384 1027902498 /nfs/dbraw/zinc/90/24/98/1027902498.db2.gz ZITZDZQPBGBCOL-QWRGUYRKSA-N 0 3 370.247 2.846 20 5 FFBDHN COc1cc(NCC2CCN(Cc3ccccn3)CC2)ncc1[N+](=O)[O-] ZINC001161243925 1028090930 /nfs/dbraw/zinc/09/09/30/1028090930.db2.gz WOYXLCVDVPJHKW-UHFFFAOYSA-N 0 3 357.414 2.718 20 5 FFBDHN CN(c1cnc2c3ccccc3c3ccccc3c2n1)S(=O)(=O)CCN ZINC001164287094 1029231760 /nfs/dbraw/zinc/23/17/60/1029231760.db2.gz JFEJOWNSVVCWSK-UHFFFAOYSA-N 0 3 366.446 2.661 20 5 FFBDHN O=[N+]([O-])c1cc(-c2ccc(-n3ncc4c3CCNC4)nn2)ccc1Cl ZINC001165222353 1029903207 /nfs/dbraw/zinc/90/32/07/1029903207.db2.gz ATEGDHWVNCLGNM-UHFFFAOYSA-N 0 3 356.773 2.537 20 5 FFBDHN C[C@@H](O)[C@H](O)CNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001203275926 1030658946 /nfs/dbraw/zinc/65/89/46/1030658946.db2.gz DHZQPCWCDFASQI-IAQYHMDHSA-N 0 3 366.801 2.872 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN[C@@H]2COC[C@@H]2O)cc1 ZINC001203332332 1030674255 /nfs/dbraw/zinc/67/42/55/1030674255.db2.gz PTXQSEYOMRRJAH-ZBFHGGJFSA-N 0 3 364.785 2.890 20 5 FFBDHN Cc1ccccc1CN1CCO[C@H](CNCc2cccc([N+](=O)[O-])c2)C1 ZINC001203413730 1030690084 /nfs/dbraw/zinc/69/00/84/1030690084.db2.gz CZCPNBPFBWFQDA-HXUWFJFHSA-N 0 3 355.438 2.894 20 5 FFBDHN COC(=O)c1cccc2[n-]c([C@](F)(Cl)O[C@@H](C)C[N+](C)(C)C)nc21 ZINC001223402745 1033429082 /nfs/dbraw/zinc/42/90/82/1033429082.db2.gz HDPKBOWWQBHCAB-MGPLVRAMSA-O 0 3 358.821 2.779 20 5 FFBDHN COC(=O)c1cccc2nc([C@](F)(Cl)O[C@@H](C)C[N+](C)(C)C)[n-]c21 ZINC001223402745 1033429092 /nfs/dbraw/zinc/42/90/92/1033429092.db2.gz HDPKBOWWQBHCAB-MGPLVRAMSA-O 0 3 358.821 2.779 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000830456882 1033621848 /nfs/dbraw/zinc/62/18/48/1033621848.db2.gz MWQPOFULZMFYPN-ZFWWWQNUSA-N 0 3 367.446 2.782 20 5 FFBDHN O=[N+]([O-])c1cnc(OC2CC[NH+](CCc3ccccc3)CC2)c2[n-]cnc21 ZINC001227691517 1035675168 /nfs/dbraw/zinc/67/51/68/1035675168.db2.gz PBFVVCNBCSCGFW-UHFFFAOYSA-N 0 3 367.409 2.952 20 5 FFBDHN Cc1cccc(CNC(=O)c2ccc(C(=O)OCC(C)[N+](=O)[O-])cc2)c1 ZINC000835457685 1035777722 /nfs/dbraw/zinc/77/77/22/1035777722.db2.gz YTMUEKQZXCTTCR-CQSZACIVSA-N 0 3 356.378 2.747 20 5 FFBDHN CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])c4cccnc34)C[C@H]1N2C ZINC001228139638 1035956500 /nfs/dbraw/zinc/95/65/00/1035956500.db2.gz VMNULGNOWHDGGO-UALQAHIBSA-N 0 3 371.393 2.689 20 5 FFBDHN COc1cc(N2CCC(N3CCOC[C@@H]3C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001256100605 1038383442 /nfs/dbraw/zinc/38/34/42/1038383442.db2.gz LPQXBMMXJQQQQH-GOSISDBHSA-N 0 3 363.458 2.929 20 5 FFBDHN Cc1ccn2c(c1)nnc2CNC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254465232 1040734436 /nfs/dbraw/zinc/73/44/36/1040734436.db2.gz VGLSHSHEBAWHGG-UHFFFAOYSA-N 0 3 366.425 2.705 20 5 FFBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC(NC(=O)c2cccnc2)CC1 ZINC001254567285 1040806415 /nfs/dbraw/zinc/80/64/15/1040806415.db2.gz AFHGBEJVTJDMTC-HNNXBMFYSA-N 0 3 368.437 2.815 20 5 FFBDHN COC(=O)[C@@H]1CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)Cc2ccccc21 ZINC001254609391 1040836155 /nfs/dbraw/zinc/83/61/55/1040836155.db2.gz VYBSYHDQMRBWLI-PKOBYXMFSA-N 0 3 352.390 2.834 20 5 FFBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CN(C)C)cc1OC ZINC001261877738 1041455976 /nfs/dbraw/zinc/45/59/76/1041455976.db2.gz PXBBFTHKYSNUES-UHFFFAOYSA-N 0 3 358.398 2.959 20 5 FFBDHN CCC1(N2CCC2)CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC001262076878 1041540450 /nfs/dbraw/zinc/54/04/50/1041540450.db2.gz KEDNYUYMWAKCFP-UHFFFAOYSA-N 0 3 367.471 2.542 20 5 FFBDHN Cc1cc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)cc([N+](=O)[O-])c1 ZINC001263983657 1042564878 /nfs/dbraw/zinc/56/48/78/1042564878.db2.gz XMWMJSZYMWNHPA-OLZOCXBDSA-N 0 3 362.304 2.826 20 5 FFBDHN O=[N+]([O-])c1ccc2ncnc(NC[C@@H]3CCCC[C@@H]3N3CCOCC3)c2c1 ZINC001307210088 1050045162 /nfs/dbraw/zinc/04/51/62/1050045162.db2.gz YZDORTXBQASDOT-KSSFIOAISA-N 0 3 371.441 2.841 20 5 FFBDHN CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001342656721 1051265163 /nfs/dbraw/zinc/26/51/63/1051265163.db2.gz BIJVJZGWJIXKTK-HNNXBMFYSA-N 0 3 372.473 2.737 20 5 FFBDHN CC[C@@H]1CN(c2nnc([C@@H](C)[N+](=O)[O-])n2CC)CCN1Cc1ccccc1 ZINC001341000717 1051336123 /nfs/dbraw/zinc/33/61/23/1051336123.db2.gz DEKJDMXFUGJNMI-NVXWUHKLSA-N 0 3 372.473 2.737 20 5 FFBDHN O=C(c1ccc([N+](=O)[O-])cc1)N1C[C@@H](C[C@H]2COCCN2)c2ccccc21 ZINC001341360656 1051719967 /nfs/dbraw/zinc/71/99/67/1051719967.db2.gz QFMZDLFFTSYLGQ-CVEARBPZSA-N 0 3 367.405 2.717 20 5 FFBDHN CN(CCCC1CCCC1)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001307871352 1052359053 /nfs/dbraw/zinc/35/90/53/1052359053.db2.gz AXVLFAYOEZVQNK-UHFFFAOYSA-N 0 3 369.487 2.775 20 5 FFBDHN Cc1ccc(S(=O)(=O)NCCCN2CCC(C)CC2)c(C)c1[N+](=O)[O-] ZINC001309025440 1052541849 /nfs/dbraw/zinc/54/18/49/1052541849.db2.gz YGSKDSUPCBCGIU-UHFFFAOYSA-N 0 3 369.487 2.612 20 5 FFBDHN CCOC(=O)c1cc(-c2nc([C@@H]3CN4CCC3CC4)no2)cc([N+](=O)[O-])c1 ZINC001337927902 1055108770 /nfs/dbraw/zinc/10/87/70/1055108770.db2.gz CLFDSGHUQRLWLW-OAHLLOKOSA-N 0 3 372.381 2.631 20 5 FFBDHN Cn1c([C@@H]2CCCN(C)C2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001355538938 1060340272 /nfs/dbraw/zinc/34/02/72/1060340272.db2.gz URVVMTQQMNMTCO-OAHLLOKOSA-N 0 3 370.457 2.702 20 5 FFBDHN CN(C)Cc1ccc(S(=O)(=O)Oc2c(F)cc(F)cc2[N+](=O)[O-])cc1 ZINC001475711074 1061222986 /nfs/dbraw/zinc/22/29/86/1061222986.db2.gz OEWGZQLBACDUBD-UHFFFAOYSA-N 0 3 372.349 2.702 20 5 FFBDHN O=C(Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001528364759 1061880863 /nfs/dbraw/zinc/88/08/63/1061880863.db2.gz ODYLSMDVPIEMTC-AWEZNQCLSA-N 0 3 371.349 2.931 20 5 FFBDHN CN(C)CCN(Cc1ccco1)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001465793570 1063215048 /nfs/dbraw/zinc/21/50/48/1063215048.db2.gz VHUKRRGHSLLRHU-UHFFFAOYSA-N 0 3 366.805 2.627 20 5 FFBDHN Cc1cc(S(=O)(=O)N(C)CC[C@H]2CCCCN2C)c(F)cc1[N+](=O)[O-] ZINC001475024046 1065676718 /nfs/dbraw/zinc/67/67/18/1065676718.db2.gz ZVBGSJMGWKZQTN-CYBMUJFWSA-N 0 3 373.450 2.537 20 5 FFBDHN C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC001576878705 1078284121 /nfs/dbraw/zinc/28/41/21/1078284121.db2.gz IUDGKPMDXDWOOP-SDDRHHMPSA-N 0 3 355.822 2.614 20 5 FFBDHN NC1(C(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)CC2(CCC2)C1 ZINC001580139782 1078756343 /nfs/dbraw/zinc/75/63/43/1078756343.db2.gz FIMJLDCZNMFUEN-UHFFFAOYSA-N 0 3 354.204 2.957 20 5 FFBDHN CC(C)(C)CC(C)(C)N1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001556618373 1075759070 /nfs/dbraw/zinc/75/90/70/1075759070.db2.gz NFARHKJNPQXCMP-UHFFFAOYSA-N 0 3 363.462 2.545 20 5 FFBDHN NC(=O)c1ccc(CN2CCCC[C@@H]2Cc2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC001560217032 1076248308 /nfs/dbraw/zinc/24/83/08/1076248308.db2.gz PIALFCBDRYYIPL-QGZVFWFLSA-N 0 3 369.421 2.997 20 5 FFBDHN COc1ccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC001560594248 1076282899 /nfs/dbraw/zinc/28/28/99/1076282899.db2.gz GYAPJKXXCYSSDI-TZMCWYRMSA-N 0 3 365.430 2.948 20 5 FFBDHN CCOc1cc(N2CCN(C[C@](C)(OC)C3CC3)CC2)ccc1[N+](=O)[O-] ZINC001560801693 1076301032 /nfs/dbraw/zinc/30/10/32/1076301032.db2.gz WPSISVJEAHVRHS-IBGZPJMESA-N 0 3 363.458 2.931 20 5 FFBDHN Cc1n[nH]c(C(=O)N[C@H]2CCCCCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001587149031 1079746260 /nfs/dbraw/zinc/74/62/60/1079746260.db2.gz HBMUHJWYHVGBCA-INIZCTEOSA-N 0 3 371.441 2.801 20 5 FFBDHN C[C@@H](N[C@@H]1Cc2ccc(-c3nn[nH]n3)cc2C1)c1c(F)cccc1[N+](=O)[O-] ZINC001589953531 1080900502 /nfs/dbraw/zinc/90/05/02/1080900502.db2.gz FSUJXDIZRNQVGO-QMTHXVAHSA-N 0 3 368.372 2.732 20 5 FFBDHN Nc1ccc(C(=O)NC2CCN(CCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000027939334 249346062 /nfs/dbraw/zinc/34/60/62/249346062.db2.gz XVPJTVWKGYCNKT-UHFFFAOYSA-N 0 3 368.437 2.614 20 5 FFBDHN CCCC(=O)NC[C@@H]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000101911968 250092950 /nfs/dbraw/zinc/09/29/50/250092950.db2.gz UMOPWLZBHRXYIO-INIZCTEOSA-N 0 3 363.458 2.992 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCN(C3CCCC3)C2)c(Cl)c1 ZINC000106891456 250297114 /nfs/dbraw/zinc/29/71/14/250297114.db2.gz KMNCGBLZVOKQAA-NSHDSACASA-N 0 3 373.862 2.543 20 5 FFBDHN COCc1cc([N+](=O)[O-])ccc1NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000181144224 251247920 /nfs/dbraw/zinc/24/79/20/251247920.db2.gz YUVIOUJOIVICFJ-LJQANCHMSA-N 0 3 371.437 2.920 20 5 FFBDHN C[C@@H]1CN(CCC2CCN(c3ncc([N+](=O)[O-])s3)CC2)C[C@H](C)O1 ZINC000192479749 251276959 /nfs/dbraw/zinc/27/69/59/251276959.db2.gz QYTQWASVUHOEIH-BETUJISGSA-N 0 3 354.476 2.767 20 5 FFBDHN C[C@@H]1CCCN(CCN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272576462 252072035 /nfs/dbraw/zinc/07/20/35/252072035.db2.gz XGPLEQZJHZAMMJ-QAPCUYQASA-N 0 3 357.458 2.739 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@H](C)C2CCN(C)CC2)c1C ZINC000272514338 252056906 /nfs/dbraw/zinc/05/69/06/252056906.db2.gz MXTYZUALSQMCPO-CQSZACIVSA-N 0 3 369.487 2.562 20 5 FFBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272569945 252070870 /nfs/dbraw/zinc/07/08/70/252070870.db2.gz TULDXKIZZVSERX-WFASDCNBSA-N 0 3 368.865 2.772 20 5 FFBDHN C[C@H](CSC(C)(C)C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273419821 252303633 /nfs/dbraw/zinc/30/36/33/252303633.db2.gz JCXDACIFDRCURP-GFCCVEGCSA-N 0 3 360.501 2.878 20 5 FFBDHN C[C@H]1CN(CCCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCCO1 ZINC000277741397 256233969 /nfs/dbraw/zinc/23/39/69/256233969.db2.gz YCYWFUPCNGAWDP-ZDUSSCGKSA-N 0 3 361.398 2.572 20 5 FFBDHN Cc1cc(N2CCCC[C@@H](S(C)(=O)=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000277828527 256244843 /nfs/dbraw/zinc/24/48/43/256244843.db2.gz JPTBDNTZBJWOMX-CQSZACIVSA-N 0 3 363.439 2.855 20 5 FFBDHN COC[C@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCCO1 ZINC000279092581 256380927 /nfs/dbraw/zinc/38/09/27/256380927.db2.gz PNEDYPUYBIQMHM-HOTGVXAUSA-N 0 3 361.398 2.576 20 5 FFBDHN CC(C)NC(=O)c1ccc(N2C[C@H](N3CCCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000286447005 257037731 /nfs/dbraw/zinc/03/77/31/257037731.db2.gz SZXMXZFOOUIZGG-GOEBONIOSA-N 0 3 360.458 2.796 20 5 FFBDHN NC(=O)c1ccnc(NC[C@@H]2CCCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000290542341 257340342 /nfs/dbraw/zinc/34/03/42/257340342.db2.gz INRMIIRZZOFURD-HNNXBMFYSA-N 0 3 369.425 2.555 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c1 ZINC000291726418 257419276 /nfs/dbraw/zinc/41/92/76/257419276.db2.gz HXIJLSLYPDYSSF-RDTXWAMCSA-N 0 3 369.421 2.996 20 5 FFBDHN COCCCN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C1CCN(C)CC1 ZINC000291281347 257395478 /nfs/dbraw/zinc/39/54/78/257395478.db2.gz SACARZLAPBDLFH-UHFFFAOYSA-N 0 3 374.441 2.649 20 5 FFBDHN C[C@H]1[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCS1(=O)=O ZINC000293876685 257565045 /nfs/dbraw/zinc/56/50/45/257565045.db2.gz JJLQEGNGYUKDDO-FZMZJTMJSA-N 0 3 366.464 2.989 20 5 FFBDHN CN(C)[C@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C1CCCCC1 ZINC000302669676 258107424 /nfs/dbraw/zinc/10/74/24/258107424.db2.gz QYPXBEDPCKNYBK-MRXNPFEDSA-N 0 3 369.487 2.921 20 5 FFBDHN C[C@@H]1CN(CCCCNc2nc3sccn3c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000301551685 258055495 /nfs/dbraw/zinc/05/54/95/258055495.db2.gz HCOCEWJQSCPFSS-VXGBXAGGSA-N 0 3 353.448 2.605 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000301826055 258069635 /nfs/dbraw/zinc/06/96/35/258069635.db2.gz OUROXKIQARQIPY-CQSZACIVSA-N 0 3 354.838 2.724 20 5 FFBDHN CC(C)CN1CCC[C@H](CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301856296 258071237 /nfs/dbraw/zinc/07/12/37/258071237.db2.gz CEGWMLRQGDFASF-CQSZACIVSA-N 0 3 369.487 2.778 20 5 FFBDHN CCN1C[C@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000330858435 258172190 /nfs/dbraw/zinc/17/21/90/258172190.db2.gz TUTXAFPTOUMJMD-RYUDHWBXSA-N 0 3 354.838 2.601 20 5 FFBDHN Cn1cc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c(C(F)(F)F)n1 ZINC000331687426 258196517 /nfs/dbraw/zinc/19/65/17/258196517.db2.gz XUSOVZSJPYUTOF-RYUDHWBXSA-N 0 3 372.351 2.817 20 5 FFBDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000409951890 512174009 /nfs/dbraw/zinc/17/40/09/512174009.db2.gz WUNALBHUJZYHMC-INIZCTEOSA-N 0 3 366.421 2.979 20 5 FFBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000065931449 506396615 /nfs/dbraw/zinc/39/66/15/506396615.db2.gz ZQMIYERGJRPRAW-UHFFFAOYSA-N 0 3 374.416 2.736 20 5 FFBDHN O=C(NC1CCN(C2CC2)CC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000009906203 506717167 /nfs/dbraw/zinc/71/71/67/506717167.db2.gz RPYFYDOSCWUAHC-UHFFFAOYSA-N 0 3 372.469 2.554 20 5 FFBDHN CCN(CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1cccc(OC)c1 ZINC000055291301 506720540 /nfs/dbraw/zinc/72/05/40/506720540.db2.gz NTXQDILLARGCCX-QGZVFWFLSA-N 0 3 360.414 2.744 20 5 FFBDHN C[C@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC(C)CC1 ZINC000067270468 506811475 /nfs/dbraw/zinc/81/14/75/506811475.db2.gz GPRXGWYHDOFNHY-OAHLLOKOSA-N 0 3 371.441 2.631 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C(=O)NCCCN2CCc3ccccc3C2)c1 ZINC000067547773 506922568 /nfs/dbraw/zinc/92/25/68/506922568.db2.gz BOTUMENLHODHRW-UHFFFAOYSA-N 0 3 369.421 2.782 20 5 FFBDHN COc1ccc(CC(=O)NC[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000067790231 507009295 /nfs/dbraw/zinc/00/92/95/507009295.db2.gz FUUQCKTVXYLPPN-KRWDZBQOSA-N 0 3 357.410 2.565 20 5 FFBDHN CN(C)[C@@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000067787105 507009381 /nfs/dbraw/zinc/00/93/81/507009381.db2.gz DXPCVAPCFJAVEN-QGZVFWFLSA-N 0 3 371.437 2.653 20 5 FFBDHN Cc1c(NC(=O)CCN2CCN(C3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000045768847 507016295 /nfs/dbraw/zinc/01/62/95/507016295.db2.gz HFYUETKISFZOTG-UHFFFAOYSA-N 0 3 360.458 2.792 20 5 FFBDHN CN1CCN(CC2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)CC1 ZINC000057151563 507186558 /nfs/dbraw/zinc/18/65/58/507186558.db2.gz ZFCFNYXCVUOJCF-UHFFFAOYSA-N 0 3 369.469 2.607 20 5 FFBDHN Cc1c(CS(=O)(=O)C(C)C(=O)N2CCCCCC2)cccc1[N+](=O)[O-] ZINC000048717106 507554733 /nfs/dbraw/zinc/55/47/33/507554733.db2.gz LSMBRRFZXUTFSE-AWEZNQCLSA-N 0 3 368.455 2.609 20 5 FFBDHN O=C(CCN1CCN(Cc2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000026158294 507563918 /nfs/dbraw/zinc/56/39/18/507563918.db2.gz JSEYRJKNIGIFFD-UHFFFAOYSA-N 0 3 368.437 2.741 20 5 FFBDHN CCN1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])cn3C)c(C)c2)CC1 ZINC000026909551 507619933 /nfs/dbraw/zinc/61/99/33/507619933.db2.gz GMKPUVVORIVHQV-UHFFFAOYSA-N 0 3 371.441 2.636 20 5 FFBDHN C[C@@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCC1 ZINC000051342877 507763823 /nfs/dbraw/zinc/76/38/23/507763823.db2.gz ZDHDHBLLUAXWGH-LBPRGKRZSA-N 0 3 360.439 2.932 20 5 FFBDHN CN(C)[C@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000072487673 507798720 /nfs/dbraw/zinc/79/87/20/507798720.db2.gz NQRWTXXSQIFSBA-GOSISDBHSA-N 0 3 371.441 2.609 20 5 FFBDHN CN(CCOc1ccccc1[N+](=O)[O-])Cc1ccc(C(=O)NC2CC2)cc1 ZINC000052561524 507813945 /nfs/dbraw/zinc/81/39/45/507813945.db2.gz RGFNOBDLSJPOGG-UHFFFAOYSA-N 0 3 369.421 2.998 20 5 FFBDHN COc1ccc([C@H](CNCc2cccc([N+](=O)[O-])c2)N2CCOCC2)cc1 ZINC000072725957 507847871 /nfs/dbraw/zinc/84/78/71/507847871.db2.gz VEASWPILEPYSHC-FQEVSTJZSA-N 0 3 371.437 2.767 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](C)S[C@@H](C)C1 ZINC000072771426 507851811 /nfs/dbraw/zinc/85/18/11/507851811.db2.gz FKHIWZMUFBATFQ-TXEJJXNPSA-N 0 3 353.444 2.758 20 5 FFBDHN COCc1cc([N+](=O)[O-])ccc1NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000089644386 507853368 /nfs/dbraw/zinc/85/33/68/507853368.db2.gz IQSAFIQKFWUUFE-MOPGFXCFSA-N 0 3 371.437 2.789 20 5 FFBDHN CN1CCC[C@H](CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000108333326 507887754 /nfs/dbraw/zinc/88/77/54/507887754.db2.gz JLSSEZRXECCMGJ-GFCCVEGCSA-N 0 3 360.439 2.790 20 5 FFBDHN Cc1ccc([C@@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000109289888 507952849 /nfs/dbraw/zinc/95/28/49/507952849.db2.gz DQTVCWSEPFBVDM-GOSISDBHSA-N 0 3 357.410 2.701 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCCC[NH+]1CCCCC1 ZINC000111357508 508093260 /nfs/dbraw/zinc/09/32/60/508093260.db2.gz DSSGIURWULIXLE-UHFFFAOYSA-N 0 3 369.487 2.838 20 5 FFBDHN C[C@@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000111458599 508100684 /nfs/dbraw/zinc/10/06/84/508100684.db2.gz IMAVSGMOAQZDIF-HNNXBMFYSA-N 0 3 356.426 2.915 20 5 FFBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cccc(-n4cccn4)c3)C2)nc1 ZINC000093534244 508147372 /nfs/dbraw/zinc/14/73/72/508147372.db2.gz IAYYGOAXTWWLPC-MRXNPFEDSA-N 0 3 364.409 2.862 20 5 FFBDHN CCCCN(C)CCNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000112309845 508173276 /nfs/dbraw/zinc/17/32/76/508173276.db2.gz UNEOLNFFJRSEIH-UHFFFAOYSA-N 0 3 355.460 2.787 20 5 FFBDHN C[C@H]1CN(CCCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000083028553 508233182 /nfs/dbraw/zinc/23/31/82/508233182.db2.gz GHWFALIZIDJAHT-STQMWFEESA-N 0 3 369.849 2.867 20 5 FFBDHN CC(C)CN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)C1CCN(C)CC1 ZINC000114383267 508309030 /nfs/dbraw/zinc/30/90/30/508309030.db2.gz SWVFDJMUBYAMPG-UHFFFAOYSA-N 0 3 367.421 2.692 20 5 FFBDHN O=C(c1cc(NC2CCN(C3CC3)CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000077523931 508327820 /nfs/dbraw/zinc/32/78/20/508327820.db2.gz JEPCFGZMTVPQPH-UHFFFAOYSA-N 0 3 358.442 2.870 20 5 FFBDHN Cc1c(Br)cc(C(=O)N(C)CCN2CCCC2)cc1[N+](=O)[O-] ZINC000121775836 508415755 /nfs/dbraw/zinc/41/57/55/508415755.db2.gz SKSGEHTWHPFVGJ-UHFFFAOYSA-N 0 3 370.247 2.834 20 5 FFBDHN C[C@@H](NC[C@@H](O)COc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000133759326 508445304 /nfs/dbraw/zinc/44/53/04/508445304.db2.gz YMHHWPDDPOHYLM-BXUZGUMPSA-N 0 3 352.337 2.964 20 5 FFBDHN CCN(CCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000116749403 508554637 /nfs/dbraw/zinc/55/46/37/508554637.db2.gz WESRGCCVWCIYJG-UHFFFAOYSA-N 0 3 355.822 2.618 20 5 FFBDHN CC[C@@H]1CCCCN1CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000134710207 508561142 /nfs/dbraw/zinc/56/11/42/508561142.db2.gz FWJIVHNCHAKLTL-OAHLLOKOSA-N 0 3 358.442 2.999 20 5 FFBDHN COc1ccc(-c2ccc(CNCCC[S@](C)=O)o2)c([N+](=O)[O-])c1 ZINC000116918689 508571189 /nfs/dbraw/zinc/57/11/89/508571189.db2.gz YLHQLMBIYIDPSV-XMMPIXPASA-N 0 3 352.412 2.722 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000123075532 508632332 /nfs/dbraw/zinc/63/23/32/508632332.db2.gz SQLWNOYHAUBUCC-UHFFFAOYSA-N 0 3 358.398 2.987 20 5 FFBDHN Cc1cc(C(=O)NCc2cccc(OCCN(C)C)c2)cc([N+](=O)[O-])c1 ZINC000123121027 508640124 /nfs/dbraw/zinc/64/01/24/508640124.db2.gz VJGSBOSGZXLJDT-UHFFFAOYSA-N 0 3 357.410 2.774 20 5 FFBDHN Cc1c(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000123241890 508657160 /nfs/dbraw/zinc/65/71/60/508657160.db2.gz CHVSMVMLXTVHKX-ZWNOBZJWSA-N 0 3 364.402 2.675 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000128933680 508660870 /nfs/dbraw/zinc/66/08/70/508660870.db2.gz WAOZLSXXRHUMIO-WBVHZDCISA-N 0 3 357.414 2.812 20 5 FFBDHN CN(C)[C@@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000136917705 508724558 /nfs/dbraw/zinc/72/45/58/508724558.db2.gz LYRIDWVJEUDMLJ-LJQANCHMSA-N 0 3 370.453 2.609 20 5 FFBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000154341242 508764074 /nfs/dbraw/zinc/76/40/74/508764074.db2.gz JVBWWCKRJGBNPS-WBVHZDCISA-N 0 3 367.409 2.551 20 5 FFBDHN CCCCN(C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000154402535 508777086 /nfs/dbraw/zinc/77/70/86/508777086.db2.gz LPSKLTTXDCEAQS-UHFFFAOYSA-N 0 3 372.263 2.748 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN(C2CCCCC2)CC1 ZINC000141780324 508819092 /nfs/dbraw/zinc/81/90/92/508819092.db2.gz IICOVYXYPCYMHN-UHFFFAOYSA-N 0 3 360.458 2.792 20 5 FFBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(C2CCCCC2)CC1 ZINC000141865747 508819369 /nfs/dbraw/zinc/81/93/69/508819369.db2.gz ODKUKHUZIWCBGV-OAHLLOKOSA-N 0 3 360.458 2.872 20 5 FFBDHN Cc1c(CC(=O)NCc2cccc(OCCN(C)C)c2)cccc1[N+](=O)[O-] ZINC000119674754 508842107 /nfs/dbraw/zinc/84/21/07/508842107.db2.gz RJVMRTNXLKHLMT-UHFFFAOYSA-N 0 3 371.437 2.703 20 5 FFBDHN COc1ccc(-c2ccc(CN3C[C@H](C(N)=O)CC[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000159604271 508864540 /nfs/dbraw/zinc/86/45/40/508864540.db2.gz KTFZZGLSCLWPBM-CHWSQXEVSA-N 0 3 373.409 2.949 20 5 FFBDHN C[C@@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000148595939 508864589 /nfs/dbraw/zinc/86/45/89/508864589.db2.gz RDYRDTDQBLKMNI-CABCVRRESA-N 0 3 371.441 2.631 20 5 FFBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(CCOC)CC1 ZINC000119993893 508905926 /nfs/dbraw/zinc/90/59/26/508905926.db2.gz OYNUIIUFBVYCJC-UHFFFAOYSA-N 0 3 367.471 2.547 20 5 FFBDHN CNC(=O)c1ccc(N[C@H]2CN(Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000160230098 508957698 /nfs/dbraw/zinc/95/76/98/508957698.db2.gz IKQPPQZZDLMUAT-KDOFPFPSSA-N 0 3 368.437 2.887 20 5 FFBDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000125468469 508987511 /nfs/dbraw/zinc/98/75/11/508987511.db2.gz LDVXVUCUERZHND-MNOVXSKESA-N 0 3 355.822 2.980 20 5 FFBDHN O=C(Nc1cccc(CN2CCC(CO)CC2)c1)c1ccc([N+](=O)[O-])o1 ZINC000120755589 509058445 /nfs/dbraw/zinc/05/84/45/509058445.db2.gz LEKPMWKQZVIXDZ-UHFFFAOYSA-N 0 3 359.382 2.644 20 5 FFBDHN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000120992173 509104863 /nfs/dbraw/zinc/10/48/63/509104863.db2.gz ZWGOUKXEPLBBLX-OCCSQVGLSA-N 0 3 367.475 2.734 20 5 FFBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H](c1ccco1)N(C)C ZINC000121019246 509111158 /nfs/dbraw/zinc/11/11/58/509111158.db2.gz BDMNDEUPVUELMS-XJKSGUPXSA-N 0 3 360.414 2.797 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000156097235 509126919 /nfs/dbraw/zinc/12/69/19/509126919.db2.gz DPJMQORASFXGOD-UHFFFAOYSA-N 0 3 362.386 2.792 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)[C@H]1COc2ccccc21 ZINC000185565859 509238329 /nfs/dbraw/zinc/23/83/29/509238329.db2.gz YGRMIJPZBGROIO-XJKSGUPXSA-N 0 3 355.394 2.996 20 5 FFBDHN O=[N+]([O-])c1cc(Br)ccc1NCCCN1CCC(O)CC1 ZINC000263954952 509247162 /nfs/dbraw/zinc/24/71/62/509247162.db2.gz KVMWGRZTVCKIOL-UHFFFAOYSA-N 0 3 358.236 2.616 20 5 FFBDHN CN1CC[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000248147464 509247814 /nfs/dbraw/zinc/24/78/14/509247814.db2.gz ZWZPPBVFCLROJZ-QFBILLFUSA-N 0 3 354.410 2.568 20 5 FFBDHN Cc1ccccc1CN1CCC(NC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000176032294 509284386 /nfs/dbraw/zinc/28/43/86/509284386.db2.gz HTZRUXFNLWDULP-UHFFFAOYSA-N 0 3 368.437 2.880 20 5 FFBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000267094587 509343762 /nfs/dbraw/zinc/34/37/62/509343762.db2.gz JDJFLUPTCZYXEQ-LRDDRELGSA-N 0 3 369.512 2.629 20 5 FFBDHN CCOc1cccc2cc([C@H](C)NC[C@@H](O)Cn3cc([N+](=O)[O-])cn3)oc21 ZINC000182649512 509351351 /nfs/dbraw/zinc/35/13/51/509351351.db2.gz SFOFAGRMYDIBGD-SWLSCSKDSA-N 0 3 374.397 2.648 20 5 FFBDHN COc1cccc(CN(CCN(C)C)C(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000192204214 509401248 /nfs/dbraw/zinc/40/12/48/509401248.db2.gz ASWMKVGOTNJFPL-UHFFFAOYSA-N 0 3 357.410 2.807 20 5 FFBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000192358125 509481597 /nfs/dbraw/zinc/48/15/97/509481597.db2.gz UXUDPMMGENUZMD-FQEVSTJZSA-N 0 3 355.438 2.976 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H]1CCCc2c(O)cccc21 ZINC000192361258 509482107 /nfs/dbraw/zinc/48/21/07/509482107.db2.gz RUWKXPBORXSLRR-CZUORRHYSA-N 0 3 358.394 2.707 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179511797 509487578 /nfs/dbraw/zinc/48/75/78/509487578.db2.gz QUAHFHGGTSDDRO-ZDUSSCGKSA-N 0 3 357.414 2.979 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179511797 509487588 /nfs/dbraw/zinc/48/75/88/509487588.db2.gz QUAHFHGGTSDDRO-ZDUSSCGKSA-N 0 3 357.414 2.979 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000248816803 509495538 /nfs/dbraw/zinc/49/55/38/509495538.db2.gz LAKNBZFUOFWMNE-DNVCBOLYSA-N 0 3 353.422 2.774 20 5 FFBDHN C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183018842 509550866 /nfs/dbraw/zinc/55/08/66/509550866.db2.gz OKONZCAESCBHFO-NEPJUHHUSA-N 0 3 373.500 2.588 20 5 FFBDHN C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183018842 509550872 /nfs/dbraw/zinc/55/08/72/509550872.db2.gz OKONZCAESCBHFO-NEPJUHHUSA-N 0 3 373.500 2.588 20 5 FFBDHN CC[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1cccc(S(N)(=O)=O)c1 ZINC000183029109 509556519 /nfs/dbraw/zinc/55/65/19/509556519.db2.gz TXCLLDXOKKNMQP-QGZVFWFLSA-N 0 3 363.439 2.526 20 5 FFBDHN CCCc1n[nH]c(C(=O)NC[C@H](c2ccco2)N(CC)CC)c1[N+](=O)[O-] ZINC000264714870 509661721 /nfs/dbraw/zinc/66/17/21/509661721.db2.gz ZWCGOEAITRRIID-CYBMUJFWSA-N 0 3 363.418 2.676 20 5 FFBDHN CCCc1n[nH]c(C(=O)NC[C@@H](c2ccco2)N(CC)CC)c1[N+](=O)[O-] ZINC000264714872 509661812 /nfs/dbraw/zinc/66/18/12/509661812.db2.gz ZWCGOEAITRRIID-ZDUSSCGKSA-N 0 3 363.418 2.676 20 5 FFBDHN C[C@@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H](N)c1ccccc1 ZINC000237594942 509685691 /nfs/dbraw/zinc/68/56/91/509685691.db2.gz YAEUOABOHWLNBZ-DNVCBOLYSA-N 0 3 368.437 2.580 20 5 FFBDHN CCC[C@@H](NC[C@@H]1COC2(CCOCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000179975684 509696416 /nfs/dbraw/zinc/69/64/16/509696416.db2.gz ATUMQFLTBIXKRK-IAGOWNOFSA-N 0 3 350.415 2.948 20 5 FFBDHN CCC[C@@H](NC[C@H]1COC2(CCOCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000179975715 509696554 /nfs/dbraw/zinc/69/65/54/509696554.db2.gz ATUMQFLTBIXKRK-DLBZAZTESA-N 0 3 350.415 2.948 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CN1C1CC1 ZINC000268040718 509730854 /nfs/dbraw/zinc/73/08/54/509730854.db2.gz XYWBBGDLFRDMIF-MWLCHTKSSA-N 0 3 357.332 2.969 20 5 FFBDHN Cn1cc(CNCc2cccc(CO)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237933408 509777904 /nfs/dbraw/zinc/77/79/04/509777904.db2.gz FBBICGSRYYPQIE-UHFFFAOYSA-N 0 3 352.394 2.777 20 5 FFBDHN COCCNC(=O)[C@H](CC(C)C)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193103996 509780317 /nfs/dbraw/zinc/78/03/17/509780317.db2.gz ZLNSMWTWIQLXHH-MSOLQXFVSA-N 0 3 363.458 2.739 20 5 FFBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000252735597 509860404 /nfs/dbraw/zinc/86/04/04/509860404.db2.gz NGTIWDHIHAYULL-KGLIPLIRSA-N 0 3 356.426 2.993 20 5 FFBDHN O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000193772873 510061335 /nfs/dbraw/zinc/06/13/35/510061335.db2.gz PWXGWGOHBONKCU-HNNXBMFYSA-N 0 3 357.385 2.986 20 5 FFBDHN C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000187180639 510107852 /nfs/dbraw/zinc/10/78/52/510107852.db2.gz XBKRSVBZSKIGMB-AUUYWEPGSA-N 0 3 357.410 2.781 20 5 FFBDHN COc1cc(Br)ccc1[C@@H](C)NCCn1ccc([N+](=O)[O-])n1 ZINC000190435677 510129621 /nfs/dbraw/zinc/12/96/21/510129621.db2.gz NHRJHOGXDMIGGX-SNVBAGLBSA-N 0 3 369.219 2.913 20 5 FFBDHN O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[C@H](N2CCCC2)C1 ZINC000171447126 510164161 /nfs/dbraw/zinc/16/41/61/510164161.db2.gz MYUHKASQSBBSRP-KRWDZBQOSA-N 0 3 372.469 2.895 20 5 FFBDHN COc1cc(C(=O)NC[C@H](c2ccccc2)N(C)C)cc([N+](=O)[O-])c1C ZINC000190494648 510164600 /nfs/dbraw/zinc/16/46/00/510164600.db2.gz VZUKRFSTTSPNRV-QGZVFWFLSA-N 0 3 357.410 2.945 20 5 FFBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000194070961 510201258 /nfs/dbraw/zinc/20/12/58/510201258.db2.gz CQCSMUONIYWUCZ-SFHVURJKSA-N 0 3 368.437 2.916 20 5 FFBDHN O=[N+]([O-])c1cc(CN[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cs1 ZINC000265760808 510215697 /nfs/dbraw/zinc/21/56/97/510215697.db2.gz JUECEDWMOBRPBH-SJORKVTESA-N 0 3 361.467 2.629 20 5 FFBDHN COc1cc(C(=O)Nc2ccc3c(c2)CNCC3)cc([N+](=O)[O-])c1OC ZINC000269183176 510277876 /nfs/dbraw/zinc/27/78/76/510277876.db2.gz FDMUVFPDMHPUOK-UHFFFAOYSA-N 0 3 357.366 2.510 20 5 FFBDHN N[C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000262571748 510320169 /nfs/dbraw/zinc/32/01/69/510320169.db2.gz HLGQUKUIXSDXGE-MRXNPFEDSA-N 0 3 354.410 2.625 20 5 FFBDHN Cc1ccc([C@H](C)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000178004452 510370033 /nfs/dbraw/zinc/37/00/33/510370033.db2.gz JEKFOXXSQCTNDJ-LBPRGKRZSA-N 0 3 369.468 2.594 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1OCCN(C)C ZINC000194501336 510396323 /nfs/dbraw/zinc/39/63/23/510396323.db2.gz IEPPTMQSNZTIRW-UHFFFAOYSA-N 0 3 357.410 2.774 20 5 FFBDHN CCO[C@H]1C[C@](N)(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000187712944 510398048 /nfs/dbraw/zinc/39/80/48/510398048.db2.gz QOYVNZFTYXAJQO-LPHOPBHVSA-N 0 3 363.458 2.566 20 5 FFBDHN CCO[C@@H]1C[C@](N)(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000187712922 510398754 /nfs/dbraw/zinc/39/87/54/510398754.db2.gz QOYVNZFTYXAJQO-APWZRJJASA-N 0 3 363.458 2.566 20 5 FFBDHN COc1ccc([C@H](C)NCCn2cc([N+](=O)[O-])cn2)cc1Br ZINC000181440851 510409405 /nfs/dbraw/zinc/40/94/05/510409405.db2.gz FEXLWFKSLPNCMH-JTQLQIEISA-N 0 3 369.219 2.913 20 5 FFBDHN COc1cc(CNC[C@@H](C)CCO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000266171531 510446335 /nfs/dbraw/zinc/44/63/35/510446335.db2.gz RGNFRAAFBZHZSS-JTQLQIEISA-N 0 3 366.336 2.653 20 5 FFBDHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000175037471 510451531 /nfs/dbraw/zinc/45/15/31/510451531.db2.gz RFDAARZQRIDTCS-IAGOWNOFSA-N 0 3 372.469 2.894 20 5 FFBDHN Cc1cc(N2CCN(C[C@@H]3CCOC3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000181523799 510453671 /nfs/dbraw/zinc/45/36/71/510453671.db2.gz ZSEDIUXDGXCYTM-HNNXBMFYSA-N 0 3 356.426 2.610 20 5 FFBDHN O=C(NCCCCN1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000194647613 510464569 /nfs/dbraw/zinc/46/45/69/510464569.db2.gz DADOCVUYXZWKBI-UHFFFAOYSA-N 0 3 372.425 2.520 20 5 FFBDHN CCOC(=O)C1CCC(O)(CN[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000191029235 510472734 /nfs/dbraw/zinc/47/27/34/510472734.db2.gz HNFDVUDEDNZXEE-WRSVWVKZSA-N 0 3 350.415 2.730 20 5 FFBDHN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@@H]3CCCN3C)cc2[N+](=O)[O-])C1 ZINC000194736019 510501720 /nfs/dbraw/zinc/50/17/20/510501720.db2.gz VNUKBCPTSYDOIY-INMHGKMJSA-N 0 3 374.485 2.901 20 5 FFBDHN CC(C)(NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000266526892 510640004 /nfs/dbraw/zinc/64/00/04/510640004.db2.gz KNZCFEBOELWCOW-AWEZNQCLSA-N 0 3 372.347 2.696 20 5 FFBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246812570 510688468 /nfs/dbraw/zinc/68/84/68/510688468.db2.gz NJYNWJUTOZPPFZ-VCBZYWHSSA-N 0 3 372.469 2.871 20 5 FFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246929063 510752182 /nfs/dbraw/zinc/75/21/82/510752182.db2.gz HBMUIVKYJVSING-DZGCQCFKSA-N 0 3 369.487 2.562 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(c3ccncc3)CC2)c1 ZINC000191673656 510782591 /nfs/dbraw/zinc/78/25/91/510782591.db2.gz LCLZRQRBBHGBIH-SFHVURJKSA-N 0 3 357.410 2.609 20 5 FFBDHN COc1cccc(COC[C@H](O)CN(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000285443995 510908560 /nfs/dbraw/zinc/90/85/60/510908560.db2.gz XTYUXTCAYRYLRQ-GOSISDBHSA-N 0 3 374.437 2.655 20 5 FFBDHN CC(C)N1CCC(N(C)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000270690321 510952398 /nfs/dbraw/zinc/95/23/98/510952398.db2.gz FJHVWXNCXYLVSE-UHFFFAOYSA-N 0 3 371.441 2.725 20 5 FFBDHN CC(C)(C)N1CCC(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000294331724 511029274 /nfs/dbraw/zinc/02/92/74/511029274.db2.gz FMLAUJYYVMILRS-UHFFFAOYSA-N 0 3 361.442 2.937 20 5 FFBDHN COc1cc(C(=O)N2CCCC[C@H](N3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000294456577 511070995 /nfs/dbraw/zinc/07/09/95/511070995.db2.gz BYHBKIGPXOXPEW-ZDUSSCGKSA-N 0 3 365.405 2.833 20 5 FFBDHN COc1cc(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000294596784 511114670 /nfs/dbraw/zinc/11/46/70/511114670.db2.gz USMIWNPTJFFRPA-NEPJUHHUSA-N 0 3 353.394 2.593 20 5 FFBDHN O=S1(=O)CC[C@@](O)(CNCc2c3ccccc3cc3ccccc32)C1 ZINC000294840433 511195823 /nfs/dbraw/zinc/19/58/23/511195823.db2.gz RBUNTQRPCLPGKH-HXUWFJFHSA-N 0 3 355.459 2.632 20 5 FFBDHN C[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000294855654 511199382 /nfs/dbraw/zinc/19/93/82/511199382.db2.gz CRBGPMOKZNNOCB-JTQLQIEISA-N 0 3 355.236 2.673 20 5 FFBDHN CN1CCC[C@@H]2CN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000295078326 511273727 /nfs/dbraw/zinc/27/37/27/511273727.db2.gz WOUBJMBMGKXXRT-WBVHZDCISA-N 0 3 359.426 2.500 20 5 FFBDHN CCOC(=O)[C@H](C)[C@@H](C)N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000283319751 511319834 /nfs/dbraw/zinc/31/98/34/511319834.db2.gz ZOIPDKNZJYOJNT-MXWKQRLJSA-N 0 3 371.821 2.753 20 5 FFBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000295278620 511346420 /nfs/dbraw/zinc/34/64/20/511346420.db2.gz IIMVVQJILXNPBF-XJKSGUPXSA-N 0 3 369.425 2.684 20 5 FFBDHN O=C(CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)NCC(F)F ZINC000280204336 511374945 /nfs/dbraw/zinc/37/49/45/511374945.db2.gz FEJODZXQSCJNOH-UHFFFAOYSA-N 0 3 355.366 2.794 20 5 FFBDHN C[C@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CCN(C2CC2)C1 ZINC000295532754 511437057 /nfs/dbraw/zinc/43/70/57/511437057.db2.gz JTDXJORELXNKSC-CYBMUJFWSA-N 0 3 369.425 2.541 20 5 FFBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000272201509 511462870 /nfs/dbraw/zinc/46/28/70/511462870.db2.gz PONACFVSSMXRIZ-CQSZACIVSA-N 0 3 371.441 2.583 20 5 FFBDHN CN1CC[C@H]2OCCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@H]2C1 ZINC000284521969 511757512 /nfs/dbraw/zinc/75/75/12/511757512.db2.gz FPXOQCPTWFDTIP-PKOBYXMFSA-N 0 3 357.410 2.760 20 5 FFBDHN COC(=O)COc1ccc([C@@H](C)NC[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000274417655 511827489 /nfs/dbraw/zinc/82/74/89/511827489.db2.gz DBTVUEQTIUBJBK-ACJLOTCBSA-N 0 3 374.393 2.531 20 5 FFBDHN C[C@@H](NCC(=O)NC[C@@H](c1ccccc1)N(C)C)c1ccccc1[N+](=O)[O-] ZINC000274667525 511904282 /nfs/dbraw/zinc/90/42/82/511904282.db2.gz RPADCHPPUMGIPO-BEFAXECRSA-N 0 3 370.453 2.665 20 5 FFBDHN Cc1nc(NCC2CCN(C[C@H](O)c3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000296940184 511958647 /nfs/dbraw/zinc/95/86/47/511958647.db2.gz BPGWXJDYULSRLA-SFHVURJKSA-N 0 3 371.441 2.551 20 5 FFBDHN COc1cc(CNCCC2(O)CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000285090421 511995732 /nfs/dbraw/zinc/99/57/32/511995732.db2.gz MQXSPYGXESYNCO-UHFFFAOYSA-N 0 3 360.357 2.642 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000285236978 512048549 /nfs/dbraw/zinc/04/85/49/512048549.db2.gz PLFJXRYHJBFMGK-LBPRGKRZSA-N 0 3 365.430 2.948 20 5 FFBDHN COc1cc(CN[C@@H]2CCC[C@@H]2CCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000275229747 512081686 /nfs/dbraw/zinc/08/16/86/512081686.db2.gz JAXZMTSBTCEMCK-DGCLKSJQSA-N 0 3 374.384 2.888 20 5 FFBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000376523513 512856437 /nfs/dbraw/zinc/85/64/37/512856437.db2.gz VOTBQKSIRCMCIO-SUMWQHHRSA-N 0 3 358.442 2.868 20 5 FFBDHN C[C@H]1[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CCN1Cc1ccccc1 ZINC000382009665 512876539 /nfs/dbraw/zinc/87/65/39/512876539.db2.gz MTXQVNILKBBGJS-BBRMVZONSA-N 0 3 354.410 2.570 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNC1(CO)C2CC3CC(C2)CC1C3 ZINC000412002267 512908236 /nfs/dbraw/zinc/90/82/36/512908236.db2.gz KPVQTTOREXAADC-UHFFFAOYSA-N 0 3 373.453 2.619 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000398001239 512952321 /nfs/dbraw/zinc/95/23/21/512952321.db2.gz NNIBHMPPZRTSJT-WMLDXEAASA-N 0 3 368.437 2.817 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N(CCN(C)C)C2CCCC2)c1F ZINC000412195004 512992660 /nfs/dbraw/zinc/99/26/60/512992660.db2.gz QYKAEUVZMLLJPR-UHFFFAOYSA-N 0 3 367.421 2.618 20 5 FFBDHN CC(C)Oc1cc(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000412369430 513055725 /nfs/dbraw/zinc/05/57/25/513055725.db2.gz PGZMPCQAVWWHCX-CQSZACIVSA-N 0 3 361.442 2.938 20 5 FFBDHN C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N(C)C ZINC000412397369 513063740 /nfs/dbraw/zinc/06/37/40/513063740.db2.gz ZXETWURQRICPIY-JTQLQIEISA-N 0 3 359.376 2.639 20 5 FFBDHN COc1cc(OCCN(C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000412567069 513167272 /nfs/dbraw/zinc/16/72/72/513167272.db2.gz WSHDCLLOTIWXBW-UHFFFAOYSA-N 0 3 359.382 2.796 20 5 FFBDHN Cc1ccc([C@H](C)NC(=O)NCCCNCc2cccnc2)cc1[N+](=O)[O-] ZINC000417852896 513239017 /nfs/dbraw/zinc/23/90/17/513239017.db2.gz OOMYRYYCMYHGOS-HNNXBMFYSA-N 0 3 371.441 2.838 20 5 FFBDHN CC(=O)N1CCCN(C[C@@H]2CCCN(c3c(C)cccc3[N+](=O)[O-])C2)CC1 ZINC000450777967 513336034 /nfs/dbraw/zinc/33/60/34/513336034.db2.gz SZYQVHOBVVWYLD-SFHVURJKSA-N 0 3 374.485 2.674 20 5 FFBDHN O=C(c1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425004012 513363551 /nfs/dbraw/zinc/36/35/51/513363551.db2.gz MXZIUHSMMOCNIB-PKOBYXMFSA-N 0 3 351.406 2.941 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCCNCc1cccnc1 ZINC000415662862 513367528 /nfs/dbraw/zinc/36/75/28/513367528.db2.gz RRGSURJUSUDDGM-UHFFFAOYSA-N 0 3 373.413 2.690 20 5 FFBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415897271 513467047 /nfs/dbraw/zinc/46/70/47/513467047.db2.gz PKHGRWPBAKMQFG-UHFFFAOYSA-N 0 3 354.410 2.947 20 5 FFBDHN CC(C)(NC(=O)NCCCNCc1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000418334186 513468817 /nfs/dbraw/zinc/46/88/17/513468817.db2.gz WPROZRFQTNFQMK-UHFFFAOYSA-N 0 3 371.441 2.704 20 5 FFBDHN O=C(CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)Nc1ccc(F)cc1 ZINC000447540493 513502568 /nfs/dbraw/zinc/50/25/68/513502568.db2.gz JVMKUBMVQZHBCN-HUUCEWRRSA-N 0 3 361.377 2.642 20 5 FFBDHN COc1cc(NC(=O)CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])cc(OC)c1 ZINC000425357294 513526069 /nfs/dbraw/zinc/52/60/69/513526069.db2.gz RTIKWJMXXNVKNZ-ZDUSSCGKSA-N 0 3 373.409 2.771 20 5 FFBDHN COc1cnccc1N1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413269565 513560181 /nfs/dbraw/zinc/56/01/81/513560181.db2.gz PEYVDRFFQVTAHT-UHFFFAOYSA-N 0 3 365.393 2.873 20 5 FFBDHN Cc1cc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)n(C2CCN(C)CC2)n1 ZINC000430428038 513651506 /nfs/dbraw/zinc/65/15/06/513651506.db2.gz GJVABPZQAZJMOE-UHFFFAOYSA-N 0 3 363.443 2.989 20 5 FFBDHN CCOc1ccc(NC(=O)CN[C@@H]2[C@@H](C)[C@@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451494860 513787374 /nfs/dbraw/zinc/78/73/74/513787374.db2.gz GWTIVXMGQKMPNS-SSKCKEOISA-N 0 3 365.430 2.581 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCCc2ccccc2CC1 ZINC000451709752 513928545 /nfs/dbraw/zinc/92/85/45/513928545.db2.gz LLVSUCOLKHHRIP-SFHVURJKSA-N 0 3 356.422 2.825 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC(O)(C(F)F)CC3)o2)c1 ZINC000426469346 513949737 /nfs/dbraw/zinc/94/97/37/513949737.db2.gz MKLLIROKZVKGRA-UHFFFAOYSA-N 0 3 367.352 2.884 20 5 FFBDHN O=C1CCc2cc([N+](=O)[O-])c(NC[C@H]3NCCc4ccccc43)cc2N1 ZINC000420243248 514059089 /nfs/dbraw/zinc/05/90/89/514059089.db2.gz CPNRMRWSPQMPAT-QGZVFWFLSA-N 0 3 352.394 2.778 20 5 FFBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCCS(=O)(=O)c1ccc(F)cc1 ZINC000449195331 514106265 /nfs/dbraw/zinc/10/62/65/514106265.db2.gz UWTDRXCOCWZOAJ-ZDUSSCGKSA-N 0 3 366.414 2.728 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N(CCN(C)C)Cc1ccccc1 ZINC000427116378 514121002 /nfs/dbraw/zinc/12/10/02/514121002.db2.gz GUOBOTAAVPZKAU-UHFFFAOYSA-N 0 3 357.410 2.807 20 5 FFBDHN O=C(CCN1CCNC[C@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000420412527 514139053 /nfs/dbraw/zinc/13/90/53/514139053.db2.gz SHAOQUBKIGFZFV-SFHVURJKSA-N 0 3 354.410 2.570 20 5 FFBDHN C[C@@H]1C[C@@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000420602229 514196707 /nfs/dbraw/zinc/19/67/07/514196707.db2.gz OLQWAHCQYMZJKM-UKRRQHHQSA-N 0 3 354.410 2.769 20 5 FFBDHN C[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCN(C2CC2)C1 ZINC000452172808 514229760 /nfs/dbraw/zinc/22/97/60/514229760.db2.gz ZELRZILKVWILHX-HNNXBMFYSA-N 0 3 360.458 2.730 20 5 FFBDHN COc1ccc(-c2ccc(CN3C[C@@H]4CCN(C)[C@@H]4C3)o2)c([N+](=O)[O-])c1 ZINC000449521276 514238768 /nfs/dbraw/zinc/23/87/68/514238768.db2.gz UKVZONLVBYSMLC-SCLBCKFNSA-N 0 3 357.410 2.999 20 5 FFBDHN CN(C)C(=O)[C@@H]1CC[C@H](CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)O1 ZINC000417313555 514289144 /nfs/dbraw/zinc/28/91/44/514289144.db2.gz WNSKIGSSMHNOCE-NXHRZFHOSA-N 0 3 361.442 2.588 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](N)c2ccccc2CC)c1 ZINC000423948023 514302507 /nfs/dbraw/zinc/30/25/07/514302507.db2.gz WPQDJPZBCTZRDD-QGZVFWFLSA-N 0 3 357.410 2.986 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H]1CCCCS1(=O)=O)CCCC2 ZINC000417343123 514304056 /nfs/dbraw/zinc/30/40/56/514304056.db2.gz NXLPUVRKWWLWJK-NVXWUHKLSA-N 0 3 352.456 2.919 20 5 FFBDHN C[C@H](NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1cccc(O)c1 ZINC000444747668 514314080 /nfs/dbraw/zinc/31/40/80/514314080.db2.gz KOEGOMCOEKEDDW-LBPRGKRZSA-N 0 3 357.366 2.949 20 5 FFBDHN CC(C)(C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1)c1ccc([N+](=O)[O-])cc1 ZINC000424010486 514338484 /nfs/dbraw/zinc/33/84/84/514338484.db2.gz LAIDAWFHYKGRJX-ZWKOTPCHSA-N 0 3 371.412 2.965 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NCCN1CCCC(C)(C)C1 ZINC000444802891 514338584 /nfs/dbraw/zinc/33/85/84/514338584.db2.gz FGAWSLMCSQZBTA-UHFFFAOYSA-N 0 3 350.419 2.847 20 5 FFBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](N)Cc2ccccc21 ZINC000424068912 514367089 /nfs/dbraw/zinc/36/70/89/514367089.db2.gz BFNIBMDBIIXZCS-OCCSQVGLSA-N 0 3 357.435 2.992 20 5 FFBDHN N[C@@H]1Cc2ccccc2N(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000424074993 514370268 /nfs/dbraw/zinc/37/02/68/514370268.db2.gz LFEOEDJWHUKQBO-OAHLLOKOSA-N 0 3 354.410 2.704 20 5 FFBDHN CN1C(=O)CC[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1=O ZINC000424205959 514415245 /nfs/dbraw/zinc/41/52/45/514415245.db2.gz NOIVYPQKEBXCMU-CYBMUJFWSA-N 0 3 359.407 2.560 20 5 FFBDHN COC(=O)c1ccc(CN(C)CCOc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000438700865 514428031 /nfs/dbraw/zinc/42/80/31/514428031.db2.gz VHPKCNGBIDRHFX-UHFFFAOYSA-N 0 3 374.393 2.901 20 5 FFBDHN CCN1CC[C@H](N(C)C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000449973934 514448896 /nfs/dbraw/zinc/44/88/96/514448896.db2.gz SYSMDXLAEWFQEE-HOCLYGCPSA-N 0 3 361.442 2.889 20 5 FFBDHN O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000461110000 514517402 /nfs/dbraw/zinc/51/74/02/514517402.db2.gz VFIWZRHLMGOBQN-KRWDZBQOSA-N 0 3 356.382 2.805 20 5 FFBDHN CC[C@@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000453099770 514545100 /nfs/dbraw/zinc/54/51/00/514545100.db2.gz YPUZKYATGHOAEJ-OAHLLOKOSA-N 0 3 369.468 2.676 20 5 FFBDHN COc1cc(CNC[C@H](CO)CC2CCCC2)c([N+](=O)[O-])cc1OC ZINC000466419757 514643211 /nfs/dbraw/zinc/64/32/11/514643211.db2.gz QNHLFJNEHUSMGF-CQSZACIVSA-N 0 3 352.431 2.890 20 5 FFBDHN COCC[C@@H](CO)NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000466478308 514658460 /nfs/dbraw/zinc/65/84/60/514658460.db2.gz ZDNVIYLRMNKAHJ-INIZCTEOSA-N 0 3 359.426 2.850 20 5 FFBDHN Cc1cc(NCc2cccc(C(=O)NCCN(C)C)c2)c(F)cc1[N+](=O)[O-] ZINC000461767517 514729350 /nfs/dbraw/zinc/72/93/50/514729350.db2.gz LHDKLIQOSIQADK-UHFFFAOYSA-N 0 3 374.416 2.946 20 5 FFBDHN Cc1nc(N2CCN(CCN(C)Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000471044347 514730769 /nfs/dbraw/zinc/73/07/69/514730769.db2.gz LNWPTWNBIHTCDR-UHFFFAOYSA-N 0 3 369.469 2.552 20 5 FFBDHN Cc1ccc(CNCCCCN2C(=O)NC3(CCCC3)C2=O)cc1[N+](=O)[O-] ZINC000479886538 514759398 /nfs/dbraw/zinc/75/93/98/514759398.db2.gz PQHIZCKHGFSDEU-UHFFFAOYSA-N 0 3 374.441 2.638 20 5 FFBDHN COC(=O)COc1ccc(CN2CCCC[C@H](SC)C2)cc1[N+](=O)[O-] ZINC000475706539 514770306 /nfs/dbraw/zinc/77/03/06/514770306.db2.gz XOMYWZSVFOGZOD-AWEZNQCLSA-N 0 3 368.455 2.864 20 5 FFBDHN Cc1cc(N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000461971014 514811549 /nfs/dbraw/zinc/81/15/49/514811549.db2.gz GUGMQRFOGUIXBA-GDBMZVCRSA-N 0 3 350.438 2.505 20 5 FFBDHN Cc1cc(N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000461971015 514812039 /nfs/dbraw/zinc/81/20/39/514812039.db2.gz GUGMQRFOGUIXBA-GOEBONIOSA-N 0 3 350.438 2.505 20 5 FFBDHN Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CCCCC2)CC1 ZINC000508972133 514971643 /nfs/dbraw/zinc/97/16/43/514971643.db2.gz KREKXNWZHJGLDS-UHFFFAOYSA-N 0 3 370.457 2.845 20 5 FFBDHN Cc1cc(S(=O)(=O)N(C)CCN(C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000503959386 515182554 /nfs/dbraw/zinc/18/25/54/515182554.db2.gz BUGNILFSXDINAT-UHFFFAOYSA-N 0 3 357.476 2.643 20 5 FFBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000468480487 515379138 /nfs/dbraw/zinc/37/91/38/515379138.db2.gz UPAMTZUADXTMFZ-HNNXBMFYSA-N 0 3 351.472 2.924 20 5 FFBDHN COc1cc(CNCC[C@H](OC)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000468610726 515434152 /nfs/dbraw/zinc/43/41/52/515434152.db2.gz ZTLGJYHBECJORL-ZDUSSCGKSA-N 0 3 352.309 2.669 20 5 FFBDHN Cc1c(Br)cc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000510443605 515543847 /nfs/dbraw/zinc/54/38/47/515543847.db2.gz OQVWYEKAOYPNME-JOYOIKCWSA-N 0 3 370.247 2.878 20 5 FFBDHN CC(C)c1n[nH]c(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000473309635 515573301 /nfs/dbraw/zinc/57/33/01/515573301.db2.gz KPAPRJAERDDSDV-OAHLLOKOSA-N 0 3 371.441 2.693 20 5 FFBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000510541903 515577493 /nfs/dbraw/zinc/57/74/93/515577493.db2.gz VOLBAZBSTUYZLL-IFXJQAMLSA-N 0 3 373.457 2.606 20 5 FFBDHN O=[N+]([O-])c1cccc(Cl)c1CN1CCN(CC2CCOCC2)CC1 ZINC000493108965 515598044 /nfs/dbraw/zinc/59/80/44/515598044.db2.gz XZXASIDTFOKPHJ-UHFFFAOYSA-N 0 3 353.850 2.792 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)NCCN2CCCC2(C)C)cc1SC ZINC000457074802 515628934 /nfs/dbraw/zinc/62/89/34/515628934.db2.gz LWQZSGDSKRWBBE-UHFFFAOYSA-N 0 3 367.471 2.930 20 5 FFBDHN CC(C)N1CC[C@@H](N(C)C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000457081582 515632826 /nfs/dbraw/zinc/63/28/26/515632826.db2.gz DGAPUWDNYQDLQR-CQSZACIVSA-N 0 3 351.422 2.953 20 5 FFBDHN O=C(N[C@@H]1CCN(C2CC2)C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454644270 515635911 /nfs/dbraw/zinc/63/59/11/515635911.db2.gz OHVKKPSVJDNAMI-JKSUJKDBSA-N 0 3 358.442 2.721 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000493507334 515638793 /nfs/dbraw/zinc/63/87/93/515638793.db2.gz UQEMXWJKXGWXAU-HUBLWGQQSA-N 0 3 367.833 2.568 20 5 FFBDHN CC(C)N1CC[C@@H](N(C)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000457093691 515642621 /nfs/dbraw/zinc/64/26/21/515642621.db2.gz YVMIWAZFANXKFK-QGZVFWFLSA-N 0 3 374.485 2.752 20 5 FFBDHN COc1cc(CNC(C)(C)CN(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000459553772 515642977 /nfs/dbraw/zinc/64/29/77/515642977.db2.gz ZOJXMHWYGWSBFW-UHFFFAOYSA-N 0 3 361.389 2.677 20 5 FFBDHN CCOc1cc(CN[C@@]2(CO)C[C@@H](OCC)C2(C)C)ccc1[N+](=O)[O-] ZINC000493570918 515643170 /nfs/dbraw/zinc/64/31/70/515643170.db2.gz CWFNLAWEQIVPRI-SJLPKXTDSA-N 0 3 352.431 2.649 20 5 FFBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000457108678 515656302 /nfs/dbraw/zinc/65/63/02/515656302.db2.gz GDQUANXZHDCIDM-GFCCVEGCSA-N 0 3 370.247 2.912 20 5 FFBDHN CN(C)CCOc1cccc(NC(=O)COc2ccccc2[N+](=O)[O-])c1 ZINC000500287035 515657069 /nfs/dbraw/zinc/65/70/69/515657069.db2.gz ADZAXNRVAIEUMS-UHFFFAOYSA-N 0 3 359.382 2.553 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H](COc3ccccc3)C2)c1 ZINC000505861689 515699835 /nfs/dbraw/zinc/69/98/35/515699835.db2.gz FIXCDQCAKZAZGB-FUHWJXTLSA-N 0 3 372.421 2.735 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1cncc(F)c1 ZINC000459620458 515701670 /nfs/dbraw/zinc/70/16/70/515701670.db2.gz LGSBPARWINSCOZ-NSHDSACASA-N 0 3 362.361 2.817 20 5 FFBDHN C[C@@H]1CCCN(c2ccc(C(=O)N3C[C@@H](C)NC[C@@H]3C)cc2[N+](=O)[O-])C1 ZINC000505880600 515708656 /nfs/dbraw/zinc/70/86/56/515708656.db2.gz WGHCUIOPMJUPIU-KFWWJZLASA-N 0 3 360.458 2.654 20 5 FFBDHN C[C@@H](N[C@@H]1CCN(C(=O)COc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000510994295 515739643 /nfs/dbraw/zinc/73/96/43/515739643.db2.gz GGYAHZZZKZPPIV-NVXWUHKLSA-N 0 3 369.421 2.925 20 5 FFBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)COCc1ccccc1F ZINC000511068313 515765178 /nfs/dbraw/zinc/76/51/78/515765178.db2.gz ZKYQESKOXKFHPY-QGZVFWFLSA-N 0 3 362.401 2.786 20 5 FFBDHN Cn1c(C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)ccc1[N+](=O)[O-] ZINC000511699884 516005978 /nfs/dbraw/zinc/00/59/78/516005978.db2.gz AWDSQTUOKDOGSL-KRWDZBQOSA-N 0 3 370.453 2.964 20 5 FFBDHN CC(C)[C@@H]1CN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1C ZINC000487960522 516052678 /nfs/dbraw/zinc/05/26/78/516052678.db2.gz FJIHAGQBYKWISX-BBRMVZONSA-N 0 3 359.430 2.978 20 5 FFBDHN CC(C)[C@@H]1CN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1C ZINC000487960523 516053783 /nfs/dbraw/zinc/05/37/83/516053783.db2.gz FJIHAGQBYKWISX-CJNGLKHVSA-N 0 3 359.430 2.978 20 5 FFBDHN CC1(C)[C@H](C(F)(F)F)CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000469996610 516067879 /nfs/dbraw/zinc/06/78/79/516067879.db2.gz PBASSNOBLMKARE-GXTWGEPZSA-N 0 3 362.348 2.997 20 5 FFBDHN COCCN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCC[C@@H]1C ZINC000488075550 516107004 /nfs/dbraw/zinc/10/70/04/516107004.db2.gz ORWNDZLMNVGGEE-YOEHRIQHSA-N 0 3 361.442 2.621 20 5 FFBDHN CN(C)[C@]1(CNc2ncc(Br)cc2[N+](=O)[O-])CCSC1 ZINC000474776922 516190701 /nfs/dbraw/zinc/19/07/01/516190701.db2.gz TVEYWIVPOZYOLD-LBPRGKRZSA-N 0 3 361.265 2.602 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000512261010 516215311 /nfs/dbraw/zinc/21/53/11/516215311.db2.gz VVSXAOYWXYQBSN-UHFFFAOYSA-N 0 3 357.410 2.774 20 5 FFBDHN CC(C)NC(=O)c1ccc(N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000488716164 516292764 /nfs/dbraw/zinc/29/27/64/516292764.db2.gz QYQXYXXDHYYAHS-IIDMSEBBSA-N 0 3 374.485 2.900 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NCC2(SC)CCN(C)CC2)c1 ZINC000460982601 516295933 /nfs/dbraw/zinc/29/59/33/516295933.db2.gz RIZPTPAYBAMCJE-UHFFFAOYSA-N 0 3 367.471 2.551 20 5 FFBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000488748219 516300379 /nfs/dbraw/zinc/30/03/79/516300379.db2.gz KAQGBVBDNNWCTE-HEHGZKQESA-N 0 3 361.442 2.856 20 5 FFBDHN CCOc1ccccc1OCCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488770160 516304380 /nfs/dbraw/zinc/30/43/80/516304380.db2.gz OUFGZIYVVFFIKW-UHFFFAOYSA-N 0 3 360.414 2.906 20 5 FFBDHN CN1CCN(CCC(C)(C)Nc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000547439299 516337846 /nfs/dbraw/zinc/33/78/46/516337846.db2.gz FOKUFSYZZARECB-UHFFFAOYSA-N 0 3 357.458 2.971 20 5 FFBDHN CN1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@@H]1Cc1ccccc1 ZINC000557742407 516414311 /nfs/dbraw/zinc/41/43/11/516414311.db2.gz RUWAUWDZLUCYIW-INIZCTEOSA-N 0 3 363.421 2.901 20 5 FFBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC1(S(C)(=O)=O)CCCC1 ZINC000513007536 516439212 /nfs/dbraw/zinc/43/92/12/516439212.db2.gz RCBCIIZHPOGARS-GXDHUFHOSA-N 0 3 352.456 2.945 20 5 FFBDHN CN(C)CCOc1cnccc1CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000561380876 516554317 /nfs/dbraw/zinc/55/43/17/516554317.db2.gz FDUMKCDJDZRUPN-UHFFFAOYSA-N 0 3 352.341 2.821 20 5 FFBDHN CC1CCC(N2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000523721738 516557371 /nfs/dbraw/zinc/55/73/71/516557371.db2.gz NIZPUDWVTRSOST-UHFFFAOYSA-N 0 3 361.442 2.697 20 5 FFBDHN C[C@H](NC(=O)N1CCc2ccccc2[C@@H]1CN)c1ccc([N+](=O)[O-])cc1 ZINC000518180611 516568880 /nfs/dbraw/zinc/56/88/80/516568880.db2.gz XNNRAECLKNDSLB-UGSOOPFHSA-N 0 3 354.410 2.924 20 5 FFBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000558145441 516615761 /nfs/dbraw/zinc/61/57/61/516615761.db2.gz AJWKZVBSXMSQCM-QZTJIDSGSA-N 0 3 371.437 2.934 20 5 FFBDHN Cn1cc(CNCCOc2ncccc2F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000540622041 516645629 /nfs/dbraw/zinc/64/56/29/516645629.db2.gz CBTVQOVSAQQQAE-UHFFFAOYSA-N 0 3 371.372 2.698 20 5 FFBDHN CN(C)C[C@H]1CCCCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000524199178 516668052 /nfs/dbraw/zinc/66/80/52/516668052.db2.gz SAZLOIXXCLLJKU-CQSZACIVSA-N 0 3 369.849 2.960 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2CCCCN2C2CC2)c1 ZINC000540689994 516670092 /nfs/dbraw/zinc/67/00/92/516670092.db2.gz IWTHSLXCPQOMBM-INIZCTEOSA-N 0 3 361.442 2.805 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000544298836 516687677 /nfs/dbraw/zinc/68/76/77/516687677.db2.gz GSDGHAAOEQYZJH-UONOGXRCSA-N 0 3 364.446 2.666 20 5 FFBDHN Cc1c([C@@H](C)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000540745050 516693985 /nfs/dbraw/zinc/69/39/85/516693985.db2.gz DMEYTEYPRMUNKE-WBVHZDCISA-N 0 3 364.490 2.646 20 5 FFBDHN Cc1c([C@@H](C)N[C@@H](CC(C)C)C(=O)NCCN(C)C)cccc1[N+](=O)[O-] ZINC000540745050 516693990 /nfs/dbraw/zinc/69/39/90/516693990.db2.gz DMEYTEYPRMUNKE-WBVHZDCISA-N 0 3 364.490 2.646 20 5 FFBDHN CN1CC[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000548094768 516759152 /nfs/dbraw/zinc/75/91/52/516759152.db2.gz OJWUUYCITFPYDK-PKOBYXMFSA-N 0 3 368.437 2.882 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC2CC(c3ccccc3)C2)cc1 ZINC000544597416 516831687 /nfs/dbraw/zinc/83/16/87/516831687.db2.gz FTHPPPXWTVVBQZ-UHFFFAOYSA-N 0 3 360.435 2.904 20 5 FFBDHN C[C@@H](C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000519062487 516870669 /nfs/dbraw/zinc/87/06/69/516870669.db2.gz YXEGNPXYDUZUNO-BZUAXINKSA-N 0 3 363.458 2.704 20 5 FFBDHN CC[C@@H](C)C[C@H](CC)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536857110 516957914 /nfs/dbraw/zinc/95/79/14/516957914.db2.gz IQOGZZDQLQGLLP-KGLIPLIRSA-N 0 3 357.476 2.678 20 5 FFBDHN CCOc1ccc(C(=O)N2CCCN(CC3CCC3)CC2)cc1[N+](=O)[O-] ZINC000519550536 517040507 /nfs/dbraw/zinc/04/05/07/517040507.db2.gz KOJDVCVEBSQITB-UHFFFAOYSA-N 0 3 361.442 2.942 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H]2C[C@H]2c2ccccc2)cc1 ZINC000541760466 517202023 /nfs/dbraw/zinc/20/20/23/517202023.db2.gz NLCOBDHQZCYOEM-QAPCUYQASA-N 0 3 360.435 2.762 20 5 FFBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCNc1ccncc1 ZINC000541774989 517211128 /nfs/dbraw/zinc/21/11/28/517211128.db2.gz BKNZRPGFLCLAPI-UHFFFAOYSA-N 0 3 360.439 2.754 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCCCN2CCCC[C@@H]2C)c1 ZINC000541820584 517233049 /nfs/dbraw/zinc/23/30/49/517233049.db2.gz FWCXNYQXPYIPLK-AWEZNQCLSA-N 0 3 369.487 2.754 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3CCc4ccccc4C3)CC2)cn1 ZINC000541985658 517324146 /nfs/dbraw/zinc/32/41/46/517324146.db2.gz GXUKGFDUBQWLDG-MRXNPFEDSA-N 0 3 352.438 2.917 20 5 FFBDHN CN(C(=O)CNC1(c2ccccc2)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000533518410 517502588 /nfs/dbraw/zinc/50/25/88/517502588.db2.gz PUYBMIPSAUJLSO-UHFFFAOYSA-N 0 3 369.421 2.853 20 5 FFBDHN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCCN(C)C3CC3)cc2[N+](=O)[O-])C1 ZINC000521408255 517718365 /nfs/dbraw/zinc/71/83/65/517718365.db2.gz AZUNICVBHTWANF-GJZGRUSLSA-N 0 3 374.485 2.901 20 5 FFBDHN CCCCO[C@@H]1C[C@@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000534178485 517773457 /nfs/dbraw/zinc/77/34/57/517773457.db2.gz VBGXZRHKKNXPOD-HZPDHXFCSA-N 0 3 351.447 2.672 20 5 FFBDHN CC(C)CN(CCN(C)C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542892054 517801609 /nfs/dbraw/zinc/80/16/09/517801609.db2.gz DXZVBMUDGYLPIO-UHFFFAOYSA-N 0 3 359.373 2.856 20 5 FFBDHN C[C@@H](CN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)CN1CCN(C)CC1 ZINC000516871617 517885032 /nfs/dbraw/zinc/88/50/32/517885032.db2.gz CUACZVABVNMZMT-XJKSGUPXSA-N 0 3 374.407 2.671 20 5 FFBDHN C[C@@H](O)CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000516956454 517940817 /nfs/dbraw/zinc/94/08/17/517940817.db2.gz IBLDRXYKNNPJFR-OAHLLOKOSA-N 0 3 357.410 2.806 20 5 FFBDHN CCCc1n[nH]c(C(=O)NCC(C)(C)N2CCC[C@@H](CC)C2)c1[N+](=O)[O-] ZINC000522064516 517974618 /nfs/dbraw/zinc/97/46/18/517974618.db2.gz KTWAFNJHRBYGEX-CYBMUJFWSA-N 0 3 365.478 2.901 20 5 FFBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN([C@@H]3CCN(Cc4ccccc4)C3)C2)nc1 ZINC000560729800 517991690 /nfs/dbraw/zinc/99/16/90/517991690.db2.gz OTBMXCOGLQDGPD-PKOBYXMFSA-N 0 3 367.453 2.751 20 5 FFBDHN CCc1ccc(S(=O)(=O)N(CC)CCCN2CCCC2)cc1[N+](=O)[O-] ZINC000563621041 518029764 /nfs/dbraw/zinc/02/97/64/518029764.db2.gz SCYKGGYSSRKPJS-UHFFFAOYSA-N 0 3 369.487 2.654 20 5 FFBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000517411317 518142911 /nfs/dbraw/zinc/14/29/11/518142911.db2.gz ZXCLYMFWDQWRAX-GASCZTMLSA-N 0 3 363.462 2.569 20 5 FFBDHN C[C@@H]1CN(CCN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000539814922 518166547 /nfs/dbraw/zinc/16/65/47/518166547.db2.gz YKMGWZIZLZFPTM-OXQOHEQNSA-N 0 3 355.438 2.995 20 5 FFBDHN CCO[C@H]1C[C@H](NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C12CCCC2 ZINC000581396717 518263850 /nfs/dbraw/zinc/26/38/50/518263850.db2.gz QRMADWKUKNEAJT-ROUUACIJSA-N 0 3 373.453 2.811 20 5 FFBDHN CCc1ccc(CCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000584586009 518410785 /nfs/dbraw/zinc/41/07/85/518410785.db2.gz HNKGAQVQANURIJ-UHFFFAOYSA-N 0 3 362.451 2.763 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000584690317 518430626 /nfs/dbraw/zinc/43/06/26/518430626.db2.gz FYDKUQNCDQBKED-MRXNPFEDSA-N 0 3 352.460 2.716 20 5 FFBDHN CO[C@@H](C)[C@@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000567318651 518461586 /nfs/dbraw/zinc/46/15/86/518461586.db2.gz SHSZARIFKBHESJ-UTLUCORTSA-N 0 3 363.336 2.954 20 5 FFBDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000584850577 518508406 /nfs/dbraw/zinc/50/84/06/518508406.db2.gz HOXRPZIKJVGBEN-INIZCTEOSA-N 0 3 371.441 2.521 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@H](c2cccc(F)c2)C1 ZINC000564607404 518523830 /nfs/dbraw/zinc/52/38/30/518523830.db2.gz LLXDGBDWBDVREU-WBVHZDCISA-N 0 3 360.385 2.963 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@H](c2ccc(F)cc2)C1 ZINC000567541548 518575201 /nfs/dbraw/zinc/57/52/01/518575201.db2.gz FDDPGRFOINMXNQ-RDJZCZTQSA-N 0 3 360.385 2.963 20 5 FFBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1ccc2cnn(C)c2c1 ZINC000582096437 518585265 /nfs/dbraw/zinc/58/52/65/518585265.db2.gz XCWSGNLPBACTJC-CYBMUJFWSA-N 0 3 367.409 2.988 20 5 FFBDHN CCC[C@H](NC[C@H]1CCCCN1S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000579264495 518599062 /nfs/dbraw/zinc/59/90/62/518599062.db2.gz STGHUENZEXIEOM-SJORKVTESA-N 0 3 369.487 2.840 20 5 FFBDHN O=C(CCNCc1ccc(OCC2CC2)nc1)Nc1ccccc1[N+](=O)[O-] ZINC000570444005 518608295 /nfs/dbraw/zinc/60/82/95/518608295.db2.gz IKIYGZZWPBPXSK-UHFFFAOYSA-N 0 3 370.409 2.897 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H]2CCc3c2ccc(Cl)c3Cl)c1 ZINC000576512257 518628139 /nfs/dbraw/zinc/62/81/39/518628139.db2.gz RYAXMVGIGLPXLI-IINYFYTJSA-N 0 3 371.224 2.736 20 5 FFBDHN COC[C@@H](Cc1ccccc1)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000564848014 518650828 /nfs/dbraw/zinc/65/08/28/518650828.db2.gz CCAIVILMPQCGBG-MRXNPFEDSA-N 0 3 357.410 2.771 20 5 FFBDHN Cc1c2ccccc2n(C)c1CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000567699725 518663503 /nfs/dbraw/zinc/66/35/03/518663503.db2.gz ZOLFYJCWKPWFGK-INIZCTEOSA-N 0 3 369.421 2.924 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC[C@H]2SCCc3ccccc32)c1 ZINC000567725717 518677361 /nfs/dbraw/zinc/67/73/61/518677361.db2.gz GQBWNBPQEHFDRY-QFBILLFUSA-N 0 3 374.462 2.955 20 5 FFBDHN CN1CCC[C@@H](CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000573633610 518760021 /nfs/dbraw/zinc/76/00/21/518760021.db2.gz MFEREMLEOWIZLC-NSHDSACASA-N 0 3 374.363 2.755 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2ccco2)c1 ZINC000570818735 518796874 /nfs/dbraw/zinc/79/68/74/518796874.db2.gz FHZDIKNKZYRRJU-UHFFFAOYSA-N 0 3 361.398 2.791 20 5 FFBDHN Cc1cc(OCC(=O)N2CCCN(C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000570859808 518813567 /nfs/dbraw/zinc/81/35/67/518813567.db2.gz WLOSVJYSJRNESY-UHFFFAOYSA-N 0 3 361.442 2.759 20 5 FFBDHN O=C(c1ccc([N+](=O)[O-])o1)N1CCN(c2ccnc3ccccc32)CC1 ZINC000588841069 518846215 /nfs/dbraw/zinc/84/62/15/518846215.db2.gz LYACARFMYMGXJF-UHFFFAOYSA-N 0 3 352.350 2.698 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCCc2cccc(F)c2)cc1 ZINC000579824710 518872831 /nfs/dbraw/zinc/87/28/31/518872831.db2.gz RVLFVGROOCCSGG-UHFFFAOYSA-N 0 3 366.414 2.730 20 5 FFBDHN O=C(NC[C@H]1CCCCN1CCO)c1cc2ccccc2c2cccnc12 ZINC000583066163 519059622 /nfs/dbraw/zinc/05/96/22/519059622.db2.gz QJIPMBOYDOYRFK-QGZVFWFLSA-N 0 3 363.461 2.965 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000565711294 519095020 /nfs/dbraw/zinc/09/50/20/519095020.db2.gz QPHGDOYWSLXDIL-UHFFFAOYSA-N 0 3 369.425 2.577 20 5 FFBDHN NC[C@@H]1c2ccccc2CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000571443702 519099499 /nfs/dbraw/zinc/09/94/99/519099499.db2.gz JWPZRTPPDXQPIL-LJQANCHMSA-N 0 3 366.421 2.867 20 5 FFBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1ccc2cnn(C)c2c1 ZINC000571491988 519120396 /nfs/dbraw/zinc/12/03/96/519120396.db2.gz BBESUHGTMJGLAW-ZDUSSCGKSA-N 0 3 367.409 2.988 20 5 FFBDHN NC[C@@H]1c2ccccc2CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000580446138 519182142 /nfs/dbraw/zinc/18/21/42/519182142.db2.gz WTHZMFBHAOIUQV-QGZVFWFLSA-N 0 3 374.828 2.745 20 5 FFBDHN O=C(CCN1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000583722171 519398044 /nfs/dbraw/zinc/39/80/44/519398044.db2.gz KUVKKBOEOORSRA-WMZOPIPTSA-N 0 3 359.426 2.957 20 5 FFBDHN C[C@@H]1CCCCN1CCNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000578378713 519561680 /nfs/dbraw/zinc/56/16/80/519561680.db2.gz NATDIKHUYVSEBY-CQSZACIVSA-N 0 3 366.437 2.857 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000602848467 519924339 /nfs/dbraw/zinc/92/43/39/519924339.db2.gz VNCCRDVNUCOIGI-TZMCWYRMSA-N 0 3 352.435 2.542 20 5 FFBDHN C[C@H](CN1CCCCC1)Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000594544606 520019293 /nfs/dbraw/zinc/01/92/93/520019293.db2.gz GQBZGBCNLGFWPL-CQSZACIVSA-N 0 3 366.437 2.857 20 5 FFBDHN O=C(NCc1ccccc1)[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000592153439 520228587 /nfs/dbraw/zinc/22/85/87/520228587.db2.gz ARNIILOSPHYCJQ-QGZVFWFLSA-N 0 3 369.421 2.612 20 5 FFBDHN COc1cc(OCc2nc(C3C[C@H]4CC[C@@H](C3)N4C)no2)ccc1[N+](=O)[O-] ZINC000612955306 520237235 /nfs/dbraw/zinc/23/72/35/520237235.db2.gz XHRKDDBEQDEPGW-YHWZYXNKSA-N 0 3 374.397 2.906 20 5 FFBDHN CC(C)[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1(CO)CC=CC1 ZINC000592178253 520247939 /nfs/dbraw/zinc/24/79/39/520247939.db2.gz QBCIZTRRJHEFJU-SFHVURJKSA-N 0 3 361.442 2.501 20 5 FFBDHN C[C@H]1CC2(CN1[C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CCOCC2 ZINC000592183922 520250131 /nfs/dbraw/zinc/25/01/31/520250131.db2.gz LFJILTUSDNKZTN-WMLDXEAASA-N 0 3 359.426 2.591 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000595007480 520254768 /nfs/dbraw/zinc/25/47/68/520254768.db2.gz OEVJQLGTRDBTIL-MAUKXSAKSA-N 0 3 364.490 2.526 20 5 FFBDHN Cn1ccnc1[C@H](N[C@H]1CCN(C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595056500 520271517 /nfs/dbraw/zinc/27/15/17/520271517.db2.gz KAFKUOFDGUBJCL-DOTOQJQBSA-N 0 3 357.458 2.880 20 5 FFBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000609346502 520290358 /nfs/dbraw/zinc/29/03/58/520290358.db2.gz INJPEQSSEOKAPK-GJZGRUSLSA-N 0 3 371.441 2.773 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC(C)(C)[C@]1(O)CCCOC1 ZINC000595093496 520291065 /nfs/dbraw/zinc/29/10/65/520291065.db2.gz BMRBVPIDMAXERI-UGSOOPFHSA-N 0 3 352.431 2.822 20 5 FFBDHN Cc1c(NC(=O)CCN[C@](C)(CO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000609483984 520327322 /nfs/dbraw/zinc/32/73/22/520327322.db2.gz YQESASVLRRFQKC-LJQANCHMSA-N 0 3 357.410 2.729 20 5 FFBDHN CCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1CCN(C)C1 ZINC000597945000 520343951 /nfs/dbraw/zinc/34/39/51/520343951.db2.gz GETLWDZNSRNFKO-NSHDSACASA-N 0 3 356.220 2.524 20 5 FFBDHN Cc1cccc2nc(CCNCc3cc4c(cc3[N+](=O)[O-])OCCO4)cn21 ZINC000592378986 520359426 /nfs/dbraw/zinc/35/94/26/520359426.db2.gz IJJDGQRLEVXEOK-UHFFFAOYSA-N 0 3 368.393 2.654 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](c2cccc(F)c2)[C@H](N)C1 ZINC000595225833 520360614 /nfs/dbraw/zinc/36/06/14/520360614.db2.gz OWYNYZDVDBHFIX-QZTJIDSGSA-N 0 3 357.385 2.999 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3cccc(F)c3)[C@H](N)C2)c1 ZINC000595225787 520361151 /nfs/dbraw/zinc/36/11/51/520361151.db2.gz OIFMOGJGSKKFPU-NVXWUHKLSA-N 0 3 357.385 2.999 20 5 FFBDHN COc1cccc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)c1[N+](=O)[O-] ZINC000595258176 520376372 /nfs/dbraw/zinc/37/63/72/520376372.db2.gz RNJHZRSPWBIFEW-MRXNPFEDSA-N 0 3 357.366 2.517 20 5 FFBDHN COc1cccc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)c1[N+](=O)[O-] ZINC000595258175 520377108 /nfs/dbraw/zinc/37/71/08/520377108.db2.gz RNJHZRSPWBIFEW-INIZCTEOSA-N 0 3 357.366 2.517 20 5 FFBDHN CCN1CCN(Cc2ccc(CNc3cccnc3[N+](=O)[O-])cc2)CC1 ZINC000603857018 520380527 /nfs/dbraw/zinc/38/05/27/520380527.db2.gz LUXIAVDEYDFLAN-UHFFFAOYSA-N 0 3 355.442 2.739 20 5 FFBDHN Cc1cccc2c1C[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])CO2 ZINC000600745936 520442845 /nfs/dbraw/zinc/44/28/45/520442845.db2.gz GSHRFAXEGISJNV-AWEZNQCLSA-N 0 3 355.394 2.825 20 5 FFBDHN COc1ccc(CNC(=O)NC[C@H](C)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000604105760 520451520 /nfs/dbraw/zinc/45/15/20/520451520.db2.gz XQARYGNLMCUFGU-KGLIPLIRSA-N 0 3 364.446 2.523 20 5 FFBDHN COc1ccc(CNC(=O)NCc2ccc(CN(C)C)cc2)cc1[N+](=O)[O-] ZINC000604105085 520452280 /nfs/dbraw/zinc/45/22/80/520452280.db2.gz FYCBUWFNFWUCID-UHFFFAOYSA-N 0 3 372.425 2.664 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CCCS(=O)(=O)C3)s2)cc1 ZINC000609851467 520457127 /nfs/dbraw/zinc/45/71/27/520457127.db2.gz MXJYGHNADLYGAF-CYBMUJFWSA-N 0 3 366.464 2.990 20 5 FFBDHN Cc1c(NC(=O)[C@H](C)N[C@H](CO)[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000613389177 520479252 /nfs/dbraw/zinc/47/92/52/520479252.db2.gz KHAFNDDJALRQHU-DHSIGJKJSA-N 0 3 371.437 2.984 20 5 FFBDHN COCC1(NCc2ccc(Br)cc2[N+](=O)[O-])CCOCC1 ZINC000595499060 520510155 /nfs/dbraw/zinc/51/01/55/520510155.db2.gz KMKJBIRMFRWKFX-UHFFFAOYSA-N 0 3 359.220 2.643 20 5 FFBDHN C[C@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000604437762 520563257 /nfs/dbraw/zinc/56/32/57/520563257.db2.gz RDYRDTDQBLKMNI-HUUCEWRRSA-N 0 3 371.441 2.631 20 5 FFBDHN O=[N+]([O-])c1ccc2nccc(N3CCC(CN4CCOCC4)CC3)c2c1 ZINC000601105027 520638187 /nfs/dbraw/zinc/63/81/87/520638187.db2.gz RAPSXKXDHHZPST-UHFFFAOYSA-N 0 3 356.426 2.692 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CNC2(CO)C3CC4CC(C3)CC2C4)c1 ZINC000593033809 520696966 /nfs/dbraw/zinc/69/69/66/520696966.db2.gz BDUTZSYXZDHUHP-UHFFFAOYSA-N 0 3 374.437 2.658 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC([C@@H]3CCCCO3)CC2)c1 ZINC000595785220 520721787 /nfs/dbraw/zinc/72/17/87/520721787.db2.gz CSYYINXGHKLDEV-HKUYNNGSSA-N 0 3 364.442 2.616 20 5 FFBDHN CC[C@@H](NC(=O)N1CCN(c2ccncc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000610530936 520730279 /nfs/dbraw/zinc/73/02/79/520730279.db2.gz ZTMZJOOAHNCGIW-GOSISDBHSA-N 0 3 369.425 2.973 20 5 FFBDHN CCOc1cc(CN2CCN(CCOC)CC2(C)C)ccc1[N+](=O)[O-] ZINC000593100827 520745903 /nfs/dbraw/zinc/74/59/03/520745903.db2.gz JXQLEXDOEUGSER-UHFFFAOYSA-N 0 3 351.447 2.536 20 5 FFBDHN O=C(CN(CCC1CC1)CC1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000595872292 520781219 /nfs/dbraw/zinc/78/12/19/520781219.db2.gz UQMULEVUSGHZLY-UHFFFAOYSA-N 0 3 361.398 2.774 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC2CC1(c1ccccc1)C2 ZINC000595910632 520814571 /nfs/dbraw/zinc/81/45/71/520814571.db2.gz WKANZBPEORTUCG-RYZJOYRSSA-N 0 3 354.406 2.956 20 5 FFBDHN O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000601540286 520833159 /nfs/dbraw/zinc/83/31/59/520833159.db2.gz GYBKZUZGQYBSKD-HNNXBMFYSA-N 0 3 357.385 2.986 20 5 FFBDHN Cc1cc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000598829586 520864072 /nfs/dbraw/zinc/86/40/72/520864072.db2.gz ZKWHYDPFLJXOIT-VXGBXAGGSA-N 0 3 362.304 2.826 20 5 FFBDHN COc1cc(CN(C)C)ccc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000601622786 520871007 /nfs/dbraw/zinc/87/10/07/520871007.db2.gz VHBKMHHLEVGVLR-UHFFFAOYSA-N 0 3 372.425 2.740 20 5 FFBDHN CCN(Cc1ccc(CN(C)C)cc1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596103045 520912408 /nfs/dbraw/zinc/91/24/08/520912408.db2.gz ASXFTMOWUNAFML-UHFFFAOYSA-N 0 3 356.426 2.782 20 5 FFBDHN NC(=O)c1cc(NC[C@@H]2CCCN2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000596129516 520930431 /nfs/dbraw/zinc/93/04/31/520930431.db2.gz QRWALBJLUAMQPK-INIZCTEOSA-N 0 3 354.410 2.770 20 5 FFBDHN Cc1c(Br)cc(C(=O)NCCN2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000611073031 520971146 /nfs/dbraw/zinc/97/11/46/520971146.db2.gz QPHPRSPAYSVQSS-JTQLQIEISA-N 0 3 370.247 2.737 20 5 FFBDHN C[C@H](CN1CCCCC1)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599057612 521005211 /nfs/dbraw/zinc/00/52/11/521005211.db2.gz QGNOYEVHWWLEJB-LLVKDONJSA-N 0 3 370.247 2.962 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000614533759 521015242 /nfs/dbraw/zinc/01/52/42/521015242.db2.gz YBVUCQORRODMRE-FQEVSTJZSA-N 0 3 371.437 2.677 20 5 FFBDHN Cc1ccc([C@@H](C)NC[C@@H]2CN(Cc3ccncc3)CCO2)cc1[N+](=O)[O-] ZINC000599086956 521025138 /nfs/dbraw/zinc/02/51/38/521025138.db2.gz CXTKXNATZUHIOF-VQIMIIECSA-N 0 3 370.453 2.850 20 5 FFBDHN CCN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCN(CC)C1 ZINC000596543135 521124103 /nfs/dbraw/zinc/12/41/03/521124103.db2.gz KOSAVRMSLLWQNT-OAHLLOKOSA-N 0 3 368.865 2.916 20 5 FFBDHN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC1CCN(CC2CC2)CC1 ZINC000596562300 521131707 /nfs/dbraw/zinc/13/17/07/521131707.db2.gz LBHCNVHOHVEOQG-UHFFFAOYSA-N 0 3 367.471 2.532 20 5 FFBDHN O=C(c1cccc(CN2CCCC2)c1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000611484970 521181302 /nfs/dbraw/zinc/18/13/02/521181302.db2.gz YOYPKIXLLLYSBM-UHFFFAOYSA-N 0 3 366.421 2.784 20 5 FFBDHN CN(CCN1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000593884035 521272837 /nfs/dbraw/zinc/27/28/37/521272837.db2.gz SEOSKAAYXAZSKM-UHFFFAOYSA-N 0 3 357.357 2.754 20 5 FFBDHN CC(C)[C@H]1CN(Cc2ccccc2)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000599536763 521282575 /nfs/dbraw/zinc/28/25/75/521282575.db2.gz RGNBAXGTUIFHGF-GOSISDBHSA-N 0 3 357.458 2.634 20 5 FFBDHN CN(C)[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1 ZINC000611702530 521289107 /nfs/dbraw/zinc/28/91/07/521289107.db2.gz VNILIBURQRFAJB-QGZVFWFLSA-N 0 3 355.373 2.814 20 5 FFBDHN C[C@H](N[C@@H]1[C@H](C)O[C@H](C)[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599626594 521339996 /nfs/dbraw/zinc/33/99/96/521339996.db2.gz SELWJZLVLKWAAY-QSJCVTFJSA-N 0 3 355.822 2.977 20 5 FFBDHN CN(C)CCn1cc(NCc2cc(Br)c([N+](=O)[O-])s2)cn1 ZINC000602536115 521401186 /nfs/dbraw/zinc/40/11/86/521401186.db2.gz YITIITSUUOGRFB-UHFFFAOYSA-N 0 3 374.264 2.789 20 5 FFBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H](CN1CCCCC1)c1ccccc1 ZINC000611938548 521401676 /nfs/dbraw/zinc/40/16/76/521401676.db2.gz NYWNEHWIUYAYRN-IBGZPJMESA-N 0 3 370.453 2.573 20 5 FFBDHN Cc1cccc2nc(CNC3CCN(c4ccc([N+](=O)[O-])nc4)CC3)cn21 ZINC000602540502 521401862 /nfs/dbraw/zinc/40/18/62/521401862.db2.gz NUWRZFBWMZAKDX-UHFFFAOYSA-N 0 3 366.425 2.705 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCN1C ZINC000607688855 521428408 /nfs/dbraw/zinc/42/84/08/521428408.db2.gz YRGSADQOVQSAEQ-CVEARBPZSA-N 0 3 363.461 2.754 20 5 FFBDHN COCC[C@@H](NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccco1 ZINC000602610361 521435670 /nfs/dbraw/zinc/43/56/70/521435670.db2.gz ZTAFHTPPZNEOMJ-MRXNPFEDSA-N 0 3 360.414 2.919 20 5 FFBDHN COC(=O)c1ccc(CNCCc2ccc([N+](=O)[O-])cc2)nc1C1CC1 ZINC000602663686 521466736 /nfs/dbraw/zinc/46/67/36/521466736.db2.gz BPHDEXQSZIQDKP-UHFFFAOYSA-N 0 3 355.394 2.986 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(c2cccnc2)CC1 ZINC000612113080 521488768 /nfs/dbraw/zinc/48/87/68/521488768.db2.gz YRJQOSFVKGPWSC-KRWDZBQOSA-N 0 3 357.410 2.609 20 5 FFBDHN CN(C)CCNC(=O)c1ccc(NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000602719713 521495392 /nfs/dbraw/zinc/49/53/92/521495392.db2.gz FMAWTECYINUPGG-UHFFFAOYSA-N 0 3 356.426 2.541 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000602781978 521528993 /nfs/dbraw/zinc/52/89/93/521528993.db2.gz IQJMQORRNDINFV-INIZCTEOSA-N 0 3 357.458 2.696 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@@H](Cn4ccnn4)C3)o2)c1 ZINC000597173759 521556832 /nfs/dbraw/zinc/55/68/32/521556832.db2.gz IPGBFOTUEVUHNF-CQSZACIVSA-N 0 3 353.382 2.968 20 5 FFBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1ccc(-n2cncn2)c(F)c1 ZINC000619846248 521901911 /nfs/dbraw/zinc/90/19/11/521901911.db2.gz ZBYRZYFVQIACBV-UHFFFAOYSA-N 0 3 355.373 2.989 20 5 FFBDHN CN(CCN1CC2(C1)CCOCC2)c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000866255827 731044138 /nfs/dbraw/zinc/04/41/38/731044138.db2.gz FZPJHVSVDWBLFH-UHFFFAOYSA-N 0 3 362.455 2.753 20 5 FFBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1CCCS(=O)(=O)C1 ZINC000872071872 731726691 /nfs/dbraw/zinc/72/66/91/731726691.db2.gz YZYPXAFFRXTVCF-RYUDHWBXSA-N 0 3 358.485 2.792 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)cc1SC ZINC000874835766 732105407 /nfs/dbraw/zinc/10/54/07/732105407.db2.gz ADXAQSOGIOANTC-CHWSQXEVSA-N 0 3 365.455 2.634 20 5 FFBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000874838225 732106262 /nfs/dbraw/zinc/10/62/62/732106262.db2.gz OJLIFQPRFAEFHP-UONOGXRCSA-N 0 3 368.231 2.666 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000874844037 732107033 /nfs/dbraw/zinc/10/70/33/732107033.db2.gz QEYQNNZFQBFQID-UBHSHLNASA-N 0 3 367.833 2.711 20 5 FFBDHN CCN(CCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C)C(C)C ZINC000780855990 738582257 /nfs/dbraw/zinc/58/22/57/738582257.db2.gz LSYXQDKJYDUVRK-UHFFFAOYSA-N 0 3 363.867 2.565 20 5 FFBDHN COC[C@H](NCc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000883295404 733361715 /nfs/dbraw/zinc/36/17/15/733361715.db2.gz HLAAGDFHPUJXTA-JSGCOSHPSA-N 0 3 373.247 2.889 20 5 FFBDHN CCOc1ccc([C@H](C)NCC[C@@H]2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000883306998 733365463 /nfs/dbraw/zinc/36/54/63/733365463.db2.gz JYPNGSGVNYGXML-JSGCOSHPSA-N 0 3 356.444 2.611 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)N2CCCCC2)cc1SC ZINC000728517670 734530150 /nfs/dbraw/zinc/53/01/50/734530150.db2.gz UIMFEQGLECQBPO-LBPRGKRZSA-N 0 3 367.471 2.930 20 5 FFBDHN COc1c([O-])ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1[N+](=O)[O-] ZINC000894699873 734902717 /nfs/dbraw/zinc/90/27/17/734902717.db2.gz LQEGBWJLNCSPAL-KFWWJZLASA-N 0 3 350.415 2.825 20 5 FFBDHN COc1c([O-])ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1[N+](=O)[O-] ZINC000894699873 734902720 /nfs/dbraw/zinc/90/27/20/734902720.db2.gz LQEGBWJLNCSPAL-KFWWJZLASA-N 0 3 350.415 2.825 20 5 FFBDHN CCC[C@H](N)c1cn(Cc2cc([N+](=O)[O-])ccc2Br)nn1 ZINC000900595648 735666383 /nfs/dbraw/zinc/66/63/83/735666383.db2.gz JKVVXLLYBHHBHQ-LBPRGKRZSA-N 0 3 354.208 2.797 20 5 FFBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000749671394 735737535 /nfs/dbraw/zinc/73/75/35/735737535.db2.gz NZIROSXGXWPDIP-HNNXBMFYSA-N 0 3 364.785 2.843 20 5 FFBDHN COc1cc([C@H](C)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc([N+](=O)[O-])c1 ZINC000903120899 736034753 /nfs/dbraw/zinc/03/47/53/736034753.db2.gz PBMBPCFSWNSSJX-DETPVDSQSA-N 0 3 356.444 2.610 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](C(F)(F)F)C1 ZINC000761049276 736690800 /nfs/dbraw/zinc/69/08/00/736690800.db2.gz PCTWUFMMWNPGJI-SNVBAGLBSA-N 0 3 361.320 2.816 20 5 FFBDHN C[C@H](OC(=O)C1CC[C@H](C(F)(F)F)NC1=O)c1ccccc1[N+](=O)[O-] ZINC000764597026 737033830 /nfs/dbraw/zinc/03/38/30/737033830.db2.gz KWHFVYPOTOZOSQ-PTOFAABTSA-N 0 3 360.288 2.656 20 5 FFBDHN C[C@](CO)(NC[C@@H]1CCC[C@H](C(F)(F)F)O1)c1cccc([N+](=O)[O-])c1 ZINC000931469734 739270489 /nfs/dbraw/zinc/27/04/89/739270489.db2.gz FOORVJNYBOMPLR-RRFJBIMHSA-N 0 3 362.348 2.892 20 5 FFBDHN CCC(CC)(CNCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C(=O)OC ZINC000790317625 739436740 /nfs/dbraw/zinc/43/67/40/739436740.db2.gz GSKFGKYCGSKBLY-UHFFFAOYSA-N 0 3 371.821 2.756 20 5 FFBDHN COC(=O)C[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)(C)C ZINC000934031444 739723134 /nfs/dbraw/zinc/72/31/34/739723134.db2.gz WJPYMQPBJVEANY-CQSZACIVSA-N 0 3 352.387 2.529 20 5 FFBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000934319837 739764711 /nfs/dbraw/zinc/76/47/11/739764711.db2.gz OJVMXOSPRJZNPE-ZJUUUORDSA-N 0 3 370.812 2.668 20 5 FFBDHN COC(=O)Nc1cc(C(=O)OCC(C)[N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000813106217 741677201 /nfs/dbraw/zinc/67/72/01/741677201.db2.gz AUOVMTOKUDUYTC-ZETCQYMHSA-N 0 3 350.249 2.706 20 5 FFBDHN COc1ccc(-c2nc(CC(=O)OCC(C)[N+](=O)[O-])cs2)cc1OC ZINC000813111692 741678434 /nfs/dbraw/zinc/67/84/34/741678434.db2.gz WDLKFWVNPIHRBG-JTQLQIEISA-N 0 3 366.395 2.578 20 5 FFBDHN C[C@@H]1CN(CCCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H](C)O1 ZINC000829801477 745262073 /nfs/dbraw/zinc/26/20/73/745262073.db2.gz QGOMKRHTMJNHLW-BETUJISGSA-N 0 3 369.849 2.867 20 5 FFBDHN CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](CO)c1ccc(Cl)cc1 ZINC000830896420 745447627 /nfs/dbraw/zinc/44/76/27/745447627.db2.gz DVMOFXQZDNWAPO-IAGOWNOFSA-N 0 3 350.802 2.947 20 5 FFBDHN CC(COC(=O)c1cc(Br)ccc1OC(F)F)[N+](=O)[O-] ZINC000842802231 747692943 /nfs/dbraw/zinc/69/29/43/747692943.db2.gz UENLDOMEQNVTOL-LURJTMIESA-N 0 3 354.103 2.873 20 5 FFBDHN C[C@@H](CN1CCCC1)OC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000845663491 748300113 /nfs/dbraw/zinc/30/01/13/748300113.db2.gz CSAVUFKRIKSZGQ-JTQLQIEISA-N 0 3 357.204 2.998 20 5 FFBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)CN1CCCC1 ZINC000845662240 748300325 /nfs/dbraw/zinc/30/03/25/748300325.db2.gz DCUQKVGSICNSJK-ZDUSSCGKSA-N 0 3 368.455 2.974 20 5 FFBDHN CC([C@@H](OC(=O)c1ccc([N+](=O)[O-])n1C)c1ccccc1F)[N+](=O)[O-] ZINC000845874794 748341166 /nfs/dbraw/zinc/34/11/66/748341166.db2.gz KBNDLHJOQCKOSN-LKFCYVNXSA-N 0 3 351.290 2.636 20 5 FFBDHN CC([C@H](OC(=O)CNC(=O)CC(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845875892 748341988 /nfs/dbraw/zinc/34/19/88/748341988.db2.gz NZUQVFDAIWZKNB-BZNIZROVSA-N 0 3 354.378 2.628 20 5 FFBDHN Cc1c(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])nnn1C(C)C ZINC000845882898 748343831 /nfs/dbraw/zinc/34/38/31/748343831.db2.gz QCMGKHKCYHLGES-ABAIWWIYSA-N 0 3 350.350 2.870 20 5 FFBDHN CC[C@@H]1CN(C)CCCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000846989822 748592779 /nfs/dbraw/zinc/59/27/79/748592779.db2.gz VYTWIKHTDCSHPF-GFCCVEGCSA-N 0 3 357.813 2.873 20 5 FFBDHN CN(C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)[C@H]1CCN(C2CC2)C1 ZINC000888922590 971401594 /nfs/dbraw/zinc/40/15/94/971401594.db2.gz CVJZIZOBXCZSFM-AWEZNQCLSA-N 0 3 354.410 2.639 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000134885692 960091959 /nfs/dbraw/zinc/09/19/59/960091959.db2.gz WMJVYVJVXGRZTG-DOTOQJQBSA-N 0 3 369.421 2.753 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000873145211 1013401611 /nfs/dbraw/zinc/40/16/11/1013401611.db2.gz JBGNYKUCDJUCBY-GOSISDBHSA-N 0 3 370.453 2.597 20 5 FFBDHN CN(C)C(=O)OC[C@H]1CCCCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000796548642 1014261321 /nfs/dbraw/zinc/26/13/21/1014261321.db2.gz BTQYBPXPQICZAG-MRXNPFEDSA-N 0 3 365.430 2.916 20 5 FFBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000843814349 977306089 /nfs/dbraw/zinc/30/60/89/977306089.db2.gz FKUNQUPMHLRXBO-UHFFFAOYSA-N 0 3 367.421 2.662 20 5 FFBDHN CCN1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)[C@H](C)C1 ZINC000910293606 981901653 /nfs/dbraw/zinc/90/16/53/981901653.db2.gz PJBDAGWMYFLULO-OAHLLOKOSA-N 0 3 360.458 2.751 20 5 FFBDHN Cc1nccn1CCCN(C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001168276120 981947707 /nfs/dbraw/zinc/94/77/07/981947707.db2.gz RCSLRGDHYUOWNZ-UHFFFAOYSA-N 0 3 356.386 2.672 20 5 FFBDHN CCOC(=O)CCN(CC1CC1)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000761291840 985126248 /nfs/dbraw/zinc/12/62/48/985126248.db2.gz WREZUCKIHUELHT-UHFFFAOYSA-N 0 3 360.414 2.876 20 5 FFBDHN COC(=O)c1cc([N+](=O)[O-])cc(-n2c(-c3ccccc3)cnc2[C@H](C)N)n1 ZINC001170679271 995455805 /nfs/dbraw/zinc/45/58/05/995455805.db2.gz FIIQQZDHMNSHCK-NSHDSACASA-N 0 3 367.365 2.649 20 5 FFBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@](CO)(Cc3ccccc3)C2)cc1 ZINC000812873999 995557425 /nfs/dbraw/zinc/55/74/25/995557425.db2.gz RQAZNMYHUNGVQI-RTWAWAEBSA-N 0 3 370.449 2.945 20 5 FFBDHN CC(COC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813114131 995626296 /nfs/dbraw/zinc/62/62/96/995626296.db2.gz ZDBPRRFBNOMUNL-NWDGAFQWSA-N 0 3 374.353 2.985 20 5 FFBDHN CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)[C@H]1CCN(C2CC2)C1 ZINC000732166295 998497959 /nfs/dbraw/zinc/49/79/59/998497959.db2.gz NRMHEVQSESECQZ-INIZCTEOSA-N 0 3 358.442 2.504 20 5 FFBDHN CC([C@H](OC(=O)CN1Cc2ccccc2C1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845875944 998677159 /nfs/dbraw/zinc/67/71/59/998677159.db2.gz OIUDBWVPRXSIFW-SGTLLEGYSA-N 0 3 372.352 2.731 20 5 FFBDHN COc1ccc(Cl)cc1N1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169037555 1000016735 /nfs/dbraw/zinc/01/67/35/1000016735.db2.gz SKMIGYVYUVHDAW-ZFWWWQNUSA-N 0 3 353.850 2.916 20 5 FFBDHN COc1cc(N2CCN([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)ccc1Cl ZINC001169046805 1000018467 /nfs/dbraw/zinc/01/84/67/1000018467.db2.gz NDISEZJYFOGLAD-KBPBESRZSA-N 0 3 353.850 2.916 20 5 FFBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1 ZINC001169055350 1000018951 /nfs/dbraw/zinc/01/89/51/1000018951.db2.gz PUZAPOFJTCEDEB-LPHOPBHVSA-N 0 3 367.453 2.711 20 5 FFBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1 ZINC001169055352 1000019059 /nfs/dbraw/zinc/01/90/59/1000019059.db2.gz PUZAPOFJTCEDEB-VQIMIIECSA-N 0 3 367.453 2.711 20 5 FFBDHN CS(=O)(=O)c1ccc(C2CCN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169057960 1000019219 /nfs/dbraw/zinc/01/92/19/1000019219.db2.gz ZMFPSAPFMPMNCM-RHSMWYFYSA-N 0 3 366.483 2.715 20 5 FFBDHN NCc1cnnn1-c1ccc2ccc3ccc(Br)nc3c2n1 ZINC001169311924 1000037923 /nfs/dbraw/zinc/03/79/23/1000037923.db2.gz JHLOFSRGZZNJAN-UHFFFAOYSA-N 0 3 355.199 2.585 20 5 FFBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1ccc(-n2cncn2)nc1 ZINC000786810311 1001630729 /nfs/dbraw/zinc/63/07/29/1001630729.db2.gz VGAXJYNYCYLHME-AUWJEWJLSA-N 0 3 350.382 2.764 20 5 FFBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1cc([N+](=O)[O-])cn1C ZINC000791980013 1002862364 /nfs/dbraw/zinc/86/23/64/1002862364.db2.gz KUCZCSNEEFIHMB-RDJZCZTQSA-N 0 3 354.410 2.690 20 5 FFBDHN O=C(CCN1CCC(c2ccon2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000852672249 1006134399 /nfs/dbraw/zinc/13/43/99/1006134399.db2.gz ASNITQMSHKSNCB-UHFFFAOYSA-N 0 3 362.361 2.930 20 5 FFBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@@H](O)c3cc4ccccc4o3)C2)nc1 ZINC000815070005 1006506515 /nfs/dbraw/zinc/50/65/15/1006506515.db2.gz NWOHOCPZWOIKME-GDBMZVCRSA-N 0 3 368.393 2.956 20 5 FFBDHN CSc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)N(C)C)cc1 ZINC000819335648 1008101691 /nfs/dbraw/zinc/10/16/91/1008101691.db2.gz NQOUCDLQHMJMGM-KRWDZBQOSA-N 0 3 374.466 2.932 20 5 FFBDHN CCN1CCN(c2ccc(NC[C@@H](O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000819396016 1008115036 /nfs/dbraw/zinc/11/50/36/1008115036.db2.gz VWIMMTPMDGRPKU-HXUWFJFHSA-N 0 3 370.453 2.882 20 5 FFBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001136409077 1008407144 /nfs/dbraw/zinc/40/71/44/1008407144.db2.gz IOZTWRRHNUFPHM-ZFWWWQNUSA-N 0 3 354.410 2.742 20 5 FFBDHN CCC1(N2CCOCC2)CCN(c2ccc([N+](=O)[O-])cc2COC)CC1 ZINC000858822351 1008430096 /nfs/dbraw/zinc/43/00/96/1008430096.db2.gz BMYXQOOOUJXGQZ-UHFFFAOYSA-N 0 3 363.458 2.822 20 5 FFBDHN Cc1nccn1CCCN(C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000130592090 1009350501 /nfs/dbraw/zinc/35/05/01/1009350501.db2.gz BXJLJLULNAVHDW-AWEZNQCLSA-N 0 3 359.430 2.757 20 5 FFBDHN C[C@@H](N[C@@H]1CCc2ccccc2OC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000509519027 1009529123 /nfs/dbraw/zinc/52/91/23/1009529123.db2.gz ZIRCGTYNXWGMJW-CZUORRHYSA-N 0 3 355.394 2.905 20 5 FFBDHN CCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)C1CCN(C)CC1 ZINC000861895074 1009609566 /nfs/dbraw/zinc/60/95/66/1009609566.db2.gz QEKNGJULYNOZSO-UHFFFAOYSA-N 0 3 364.402 2.676 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N(C)CCc2noc(C)n2)c1F ZINC001173182843 1012325944 /nfs/dbraw/zinc/32/59/44/1012325944.db2.gz UVAZKFURORKQCR-JTQLQIEISA-N 0 3 352.366 2.539 20 5 FFBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccccc2)[C@H](CO)C1 ZINC001173224445 1012357863 /nfs/dbraw/zinc/35/78/63/1012357863.db2.gz FWOVRMCFNQYBJR-UWJYYQICSA-N 0 3 369.465 2.705 20 5 FFBDHN CC([C@H](OC(=O)/C=C/COC1CCOCC1)c1ccccc1F)[N+](=O)[O-] ZINC000870454886 1012389763 /nfs/dbraw/zinc/38/97/63/1012389763.db2.gz QFZBIWZTOKXWJW-GTSCXXMGSA-N 0 3 367.373 2.827 20 5 FFBDHN CN(CCc1nc(-c2ccccc2)no1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796387511 1012586559 /nfs/dbraw/zinc/58/65/59/1012586559.db2.gz CXOMTJBLBIZAGP-QGZVFWFLSA-N 0 3 368.393 2.853 20 5 FFBDHN Cn1nnc2c1C[C@@H](N[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)CC2 ZINC000927148633 1018381484 /nfs/dbraw/zinc/38/14/84/1018381484.db2.gz XHTBEVVLDCKWLS-JXFKEZNVSA-N 0 3 363.421 2.960 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1CCc2ccccc2OC1 ZINC000801571451 1019127770 /nfs/dbraw/zinc/12/77/70/1019127770.db2.gz TXIZHNYDQCYJDN-HNNXBMFYSA-N 0 3 355.394 2.825 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@]1(c2cnn(C)c2)CCCO1 ZINC000903358475 1020802582 /nfs/dbraw/zinc/80/25/82/1020802582.db2.gz JZDJLTVDOPMXTQ-FZKQIMNGSA-N 0 3 360.414 2.693 20 5 FFBDHN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@H](C)CN1CCCCC1 ZINC000749269501 1020910474 /nfs/dbraw/zinc/91/04/74/1020910474.db2.gz WFZNFELEVLMBBN-LLVKDONJSA-N 0 3 366.374 2.576 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)C1CC[C@H](C(F)(F)F)NC1=O ZINC000778770146 1022347989 /nfs/dbraw/zinc/34/79/89/1022347989.db2.gz ACBUQVVVKAKZOG-XHVZSJERSA-N 0 3 374.315 2.965 20 5 FFBDHN O=c1ccc2ncc(O[C@@H]3CNCCC3(F)F)c3c4ccccc4n1c32 ZINC001218453148 1033162259 /nfs/dbraw/zinc/16/22/59/1033162259.db2.gz SECTWEVMVBBJRT-OAHLLOKOSA-N 0 3 355.344 2.815 20 5 FFBDHN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cc2c(s1)CNCC2 ZINC001121974286 1024223419 /nfs/dbraw/zinc/22/34/19/1024223419.db2.gz IIGCGYMTJUHJSK-UHFFFAOYSA-N 0 3 351.815 2.885 20 5 FFBDHN CC[C@H](C)N1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2Cc2ccccc2)CC1 ZINC001122074066 1024319746 /nfs/dbraw/zinc/31/97/46/1024319746.db2.gz XWXOIICKMUSYAS-HOTGVXAUSA-N 0 3 372.473 2.585 20 5 FFBDHN CC[C@@H](C)N1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2Cc2ccccc2)CC1 ZINC001122074063 1024320192 /nfs/dbraw/zinc/32/01/92/1024320192.db2.gz XWXOIICKMUSYAS-CVEARBPZSA-N 0 3 372.473 2.585 20 5 FFBDHN CCOC(=O)c1c2c(sc1Nc1cc([O-])cc([N+](=O)[O-])c1)C[NH2+]CC2 ZINC001159208299 1027312382 /nfs/dbraw/zinc/31/23/82/1027312382.db2.gz HXRKOMYFAKUOAX-UHFFFAOYSA-N 0 3 363.395 2.928 20 5 FFBDHN COc1nc(N(C)[C@@H]2CN(Cc3ccccc3)CC[C@H]2C)ncc1[N+](=O)[O-] ZINC001165184600 1029440258 /nfs/dbraw/zinc/44/02/58/1029440258.db2.gz XQFHDLZIBPQBPZ-RHSMWYFYSA-N 0 3 371.441 2.740 20 5 FFBDHN O=C1NCC2(CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)O1 ZINC000783721537 1030252953 /nfs/dbraw/zinc/25/29/53/1030252953.db2.gz CWHKZDRSZVBVNJ-UHFFFAOYSA-N 0 3 357.366 2.929 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3CNCc4ccccc43)n2)c1 ZINC000843222778 1031253971 /nfs/dbraw/zinc/25/39/71/1031253971.db2.gz JTUYRCLAQAZDHK-MRXNPFEDSA-N 0 3 366.377 2.812 20 5 FFBDHN Cc1c(C(=O)N[C@H]2CCCN(C(C)C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000832297055 1034709479 /nfs/dbraw/zinc/70/94/79/1034709479.db2.gz POFJLMHQVZDQRR-ZDUSSCGKSA-N 0 3 364.402 2.722 20 5 FFBDHN COCC(=O)NC1CCN(Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232222761 1035503470 /nfs/dbraw/zinc/50/34/70/1035503470.db2.gz YTKBHNQUEHJIBT-UHFFFAOYSA-N 0 3 364.449 2.510 20 5 FFBDHN COc1cc(N2CCC(NCc3cccnc3OC)CC2)ccc1[N+](=O)[O-] ZINC001256086006 1038370672 /nfs/dbraw/zinc/37/06/72/1038370672.db2.gz UPYBIBONCBUXSZ-UHFFFAOYSA-N 0 3 372.425 2.766 20 5 FFBDHN C[C@H](c1nc(-c2ccc3c(n2)CCNC3)no1)c1ccc([N+](=O)[O-])cc1 ZINC001247604188 1039827175 /nfs/dbraw/zinc/82/71/75/1039827175.db2.gz OZMQKPKLKYBMTG-NSHDSACASA-N 0 3 351.366 2.837 20 5 FFBDHN C[NH+](C)Cc1ccc(-c2noc(C(=O)[N-]c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC001247999226 1040093006 /nfs/dbraw/zinc/09/30/06/1040093006.db2.gz IRRIDDSPCJDAER-UHFFFAOYSA-N 0 3 367.365 2.959 20 5 FFBDHN CC(C)N(C)Cc1nn([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c2c1CCNC2 ZINC001254598773 1040830202 /nfs/dbraw/zinc/83/02/02/1040830202.db2.gz XIYMGJHEUDEDQK-QGZVFWFLSA-N 0 3 369.469 2.617 20 5 FFBDHN Cc1cnc(O[C@H]2CCCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)nc1 ZINC001254605321 1040835069 /nfs/dbraw/zinc/83/50/69/1040835069.db2.gz BERONEIKSAGBBT-MSOLQXFVSA-N 0 3 354.410 2.704 20 5 FFBDHN C[C@@H]1CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001254608281 1040837263 /nfs/dbraw/zinc/83/72/63/1040837263.db2.gz QDSOAFDLRODBEM-DQYPLSBCSA-N 0 3 361.442 2.907 20 5 FFBDHN Cc1cc(-c2nc(-c3ccc4c(n3)CCNC4)no2)cc(C)c1[N+](=O)[O-] ZINC001215404012 1041770480 /nfs/dbraw/zinc/77/04/80/1041770480.db2.gz BYHNMYXABOIZRH-UHFFFAOYSA-N 0 3 351.366 2.969 20 5 FFBDHN O=[N+]([O-])c1cc(-c2nc(-c3ccc4c(n3)CCNC4)no2)c(F)cc1F ZINC001215800055 1041887423 /nfs/dbraw/zinc/88/74/23/1041887423.db2.gz OAUHRXZSTSDRNT-UHFFFAOYSA-N 0 3 359.292 2.631 20 5 FFBDHN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])Nc1cnc2c(c1)CNCC2 ZINC001263104382 1042106138 /nfs/dbraw/zinc/10/61/38/1042106138.db2.gz FRZZJVPUIFKLGW-UHFFFAOYSA-N 0 3 360.801 2.860 20 5 FFBDHN O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)C12CCCN1CCC2 ZINC001320946679 1045499579 /nfs/dbraw/zinc/49/95/79/1045499579.db2.gz KBLWYHBRZGQIST-UHFFFAOYSA-N 0 3 354.204 2.924 20 5 FFBDHN CO[C@@]1(C)C[C@H](NCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1(C)C ZINC001324502110 1046068685 /nfs/dbraw/zinc/06/86/85/1046068685.db2.gz GEBFGUZLXARVFD-BBRMVZONSA-N 0 3 355.822 2.980 20 5 FFBDHN C[C@@]1(CO)C[C@H](O)CN1Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001332718777 1048525863 /nfs/dbraw/zinc/52/58/63/1048525863.db2.gz USSKWYINLXSSGM-SJCJKPOMSA-N 0 3 366.801 2.826 20 5 FFBDHN COc1c([O-])ccc(C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)c1[N+](=O)[O-] ZINC001333658115 1049033779 /nfs/dbraw/zinc/03/37/79/1049033779.db2.gz MZCHCMKTJBWAES-AWEZNQCLSA-N 0 3 357.410 2.925 20 5 FFBDHN CCN1C[C@H](C)N(c2nnc([C@H](C)[N+](=O)[O-])n2Cc2ccccc2)C[C@@H]1C ZINC001342144904 1050739353 /nfs/dbraw/zinc/73/93/53/1050739353.db2.gz OVQZCUWABBTDJB-JYJNAYRXSA-N 0 3 372.473 2.583 20 5 FFBDHN CC(C)(C)N1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001340765637 1051118960 /nfs/dbraw/zinc/11/89/60/1051118960.db2.gz FRLVIRMWWXRHIK-UHFFFAOYSA-N 0 3 354.838 2.603 20 5 FFBDHN Cc1cc(N2CC[C@@H]3[C@@H]2CCCN3CCO)c([N+](=O)[O-])cc1C(F)(F)F ZINC001307227609 1052272084 /nfs/dbraw/zinc/27/20/84/1052272084.db2.gz IVTJVYWUTSJWBV-KGLIPLIRSA-N 0 3 373.375 2.957 20 5 FFBDHN C[C@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1CN(C)CCN1C ZINC001308949275 1052525075 /nfs/dbraw/zinc/52/50/75/1052525075.db2.gz XPOVVTKPVNKLNI-HZMBPMFUSA-N 0 3 361.273 2.626 20 5 FFBDHN C[C@@H]1CC2(CN1CN1CC[C@@H](c3ccc([N+](=O)[O-])cc3)C1=O)CCOCC2 ZINC000848489101 1060143380 /nfs/dbraw/zinc/14/33/80/1060143380.db2.gz JCZROMWSYNDSHK-QAPCUYQASA-N 0 3 373.453 2.759 20 5 FFBDHN CC(C)(C(=O)OC[C@H]1CCN1C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC001517124900 1060356066 /nfs/dbraw/zinc/35/60/66/1060356066.db2.gz PVLALCZWYAFWRV-QGZVFWFLSA-N 0 3 362.426 2.669 20 5 FFBDHN CN(C)CCONC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001468996699 1064073625 /nfs/dbraw/zinc/07/36/25/1064073625.db2.gz UEHMUCRKOZZEPD-UHFFFAOYSA-N 0 3 361.423 2.969 20 5 FFBDHN COC(=O)c1cc(C)nc(N2CCN(C3CCCC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC001472878164 1065165977 /nfs/dbraw/zinc/16/59/77/1065165977.db2.gz JQUXPCIPLHOEPH-ZDUSSCGKSA-N 0 3 362.430 2.538 20 5 FFBDHN N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001580366035 1078792199 /nfs/dbraw/zinc/79/21/99/1078792199.db2.gz BBVFKMJJUXAVFC-HKUYNNGSSA-N 0 3 353.422 2.871 20 5 FFBDHN CCOc1cc(NC(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC001563011513 1075096437 /nfs/dbraw/zinc/09/64/37/1075096437.db2.gz FRIVKVUUNWZTAX-UKRRQHHQSA-N 0 3 368.459 2.503 20 5 FFBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccc2cc[nH]c2c1 ZINC001559831625 1076195088 /nfs/dbraw/zinc/19/50/88/1076195088.db2.gz YVNWWWCICYKTHF-KRWDZBQOSA-N 0 3 369.421 2.990 20 5 FFBDHN CCOC(=O)c1c[nH]nc1[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC001560034811 1076214955 /nfs/dbraw/zinc/21/49/55/1076214955.db2.gz DUDWVKYZRYCSQJ-CQSZACIVSA-N 0 3 358.398 2.793 20 5 FFBDHN COc1ccc(NC(=O)[C@@H](C)N[C@@H]2CCOC23CCCC3)c([N+](=O)[O-])c1 ZINC001560208470 1076247600 /nfs/dbraw/zinc/24/76/00/1076247600.db2.gz GLKHAVZSROEXJO-MLGOLLRUSA-N 0 3 363.414 2.622 20 5 FFBDHN Cc1c(NC(=O)CCN2CCc3cc(O)ccc3C2)cccc1[N+](=O)[O-] ZINC001560240808 1076254817 /nfs/dbraw/zinc/25/48/17/1076254817.db2.gz VZEMXSOBLPETTQ-UHFFFAOYSA-N 0 3 355.394 2.996 20 5 FFBDHN Cc1ccc(CNCc2ccc(N(C)S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC001560313478 1076262979 /nfs/dbraw/zinc/26/29/79/1076262979.db2.gz BGMOEAQRYSAOKQ-UHFFFAOYSA-N 0 3 363.439 2.589 20 5 FFBDHN O=[N+]([O-])c1cnn(CCNCc2cnc(-c3c(F)cccc3F)s2)c1 ZINC001560383076 1076269586 /nfs/dbraw/zinc/26/95/86/1076269586.db2.gz IRKLBKOBTZFKLW-UHFFFAOYSA-N 0 3 365.365 2.983 20 5 FFBDHN CCOc1cc(N2CCN(C[C@](C)(CC)OC)CC2)ccc1[N+](=O)[O-] ZINC001560801190 1076300993 /nfs/dbraw/zinc/30/09/93/1076300993.db2.gz HWHADTWPJCORFX-SFHVURJKSA-N 0 3 351.447 2.931 20 5 FFBDHN C[C@H](c1cccc(-c2nnn[n-]2)c1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC001590045881 1080972523 /nfs/dbraw/zinc/97/25/23/1080972523.db2.gz FNFGUTXEYIVOOM-CYBMUJFWSA-N 0 3 368.397 2.847 20 5 FFBDHN C[C@H](c1cccc(-c2nnn[n-]2)c1)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC001590045881 1080972528 /nfs/dbraw/zinc/97/25/28/1080972528.db2.gz FNFGUTXEYIVOOM-CYBMUJFWSA-N 0 3 368.397 2.847 20 5 FFBDHN C[C@H](c1cccc(-c2nn[n-]n2)c1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC001590045881 1080972536 /nfs/dbraw/zinc/97/25/36/1080972536.db2.gz FNFGUTXEYIVOOM-CYBMUJFWSA-N 0 3 368.397 2.847 20 5 FFBDHN C[C@H](c1cccc(-c2nn[n-]n2)c1)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC001590045881 1080972545 /nfs/dbraw/zinc/97/25/45/1080972545.db2.gz FNFGUTXEYIVOOM-CYBMUJFWSA-N 0 3 368.397 2.847 20 5 FFBDHN C[C@]1(c2ccccc2)CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590152954 1081053847 /nfs/dbraw/zinc/05/38/47/1081053847.db2.gz IFLDRTUVQVSYTG-IBGZPJMESA-N 0 3 364.409 2.939 20 5 FFBDHN C[C@]1(c2ccccc2)CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590152954 1081053855 /nfs/dbraw/zinc/05/38/55/1081053855.db2.gz IFLDRTUVQVSYTG-IBGZPJMESA-N 0 3 364.409 2.939 20 5 FFBDHN Cc1ccc(S(=O)(=O)C[C@H](C)NCCc2ccccc2[N+](=O)[O-])cc1 ZINC000273613352 255768640 /nfs/dbraw/zinc/76/86/40/255768640.db2.gz WSLQRXLGPFIPSZ-HNNXBMFYSA-N 0 3 362.451 2.898 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](N3CCCC3)C2)cc1SC ZINC000103084563 250134804 /nfs/dbraw/zinc/13/48/04/250134804.db2.gz RZRNYILAKDVBTP-GFCCVEGCSA-N 0 3 365.455 2.636 20 5 FFBDHN CCN1CCC[C@@H]1CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000103186625 250138818 /nfs/dbraw/zinc/13/88/18/250138818.db2.gz FUSOFNMPZNRAJP-LLVKDONJSA-N 0 3 353.444 2.539 20 5 FFBDHN CN(CC1CCN(C)CC1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000103453150 250151497 /nfs/dbraw/zinc/15/14/97/250151497.db2.gz RXNFBFRIWGLUJG-UHFFFAOYSA-N 0 3 374.485 2.999 20 5 FFBDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000106786911 250289651 /nfs/dbraw/zinc/28/96/51/250289651.db2.gz VKUZMTKSZQSXQU-CQSZACIVSA-N 0 3 369.425 2.527 20 5 FFBDHN C[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H]1COc2ccccc21 ZINC000162998094 251163921 /nfs/dbraw/zinc/16/39/21/251163921.db2.gz INEVIYKLOMUPFJ-DOPJRALCSA-N 0 3 367.405 2.854 20 5 FFBDHN COc1cc(CN[C@H](C)[C@H]2CCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000163002305 251164780 /nfs/dbraw/zinc/16/47/80/251164780.db2.gz VBCCNMTXCYCHQZ-MNOVXSKESA-N 0 3 360.357 2.762 20 5 FFBDHN O=C(CN1CC[C@H](N2CCCCC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000264640846 251331333 /nfs/dbraw/zinc/33/13/33/251331333.db2.gz VRKJFQBDSPGTTB-AWEZNQCLSA-N 0 3 366.849 2.747 20 5 FFBDHN COc1cc(CN[C@@H](CCO)C(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272514418 252056006 /nfs/dbraw/zinc/05/60/06/252056006.db2.gz XJSFYPBCIBTOII-LBPRGKRZSA-N 0 3 362.373 2.744 20 5 FFBDHN C[C@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000272707803 252107503 /nfs/dbraw/zinc/10/75/03/252107503.db2.gz HAQDGCZGTKSPMD-LBPRGKRZSA-N 0 3 366.849 2.740 20 5 FFBDHN C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000272752246 252121593 /nfs/dbraw/zinc/12/15/93/252121593.db2.gz FBSYNZPCNGNNRZ-JTQLQIEISA-N 0 3 368.231 2.738 20 5 FFBDHN Cc1ccc(C)c(S(=O)(=O)N(C)[C@H](C)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000276806880 256132660 /nfs/dbraw/zinc/13/26/60/256132660.db2.gz LOIYEBQUUHPUFP-CQSZACIVSA-N 0 3 369.487 2.562 20 5 FFBDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000278356952 256303540 /nfs/dbraw/zinc/30/35/40/256303540.db2.gz ARULQZLWYIDGCN-CYBMUJFWSA-N 0 3 353.850 2.933 20 5 FFBDHN CCOc1cc(CN2CCN(C3CCOCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000278608624 256330479 /nfs/dbraw/zinc/33/04/79/256330479.db2.gz JAYITBBRXIRQJE-OAHLLOKOSA-N 0 3 363.458 2.679 20 5 FFBDHN C[C@@H](O)C[C@H]1CCCCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000286116968 257021207 /nfs/dbraw/zinc/02/12/07/257021207.db2.gz UPBZIHOCPDBYHV-CZUORRHYSA-N 0 3 350.415 2.977 20 5 FFBDHN CNC(=O)c1ccc(N(C)CCCN(C)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000286589685 257044267 /nfs/dbraw/zinc/04/42/67/257044267.db2.gz RSZQOHPKNDDGDY-UHFFFAOYSA-N 0 3 360.414 2.506 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H](CCO)c2ccc(Cl)cc2)c1 ZINC000286697284 257050381 /nfs/dbraw/zinc/05/03/81/257050381.db2.gz DOINYXRWCLQJFQ-IAGOWNOFSA-N 0 3 350.802 2.995 20 5 FFBDHN COc1ccc(NC(=O)CCN2CCC(F)(F)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000289368238 257277226 /nfs/dbraw/zinc/27/72/26/257277226.db2.gz AZEOLWDTGFUMKQ-NSHDSACASA-N 0 3 357.357 2.909 20 5 FFBDHN Cc1cnn([C@H]2CCN(CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000290053573 257313196 /nfs/dbraw/zinc/31/31/96/257313196.db2.gz XFUVCXKIRAKPLC-HNNXBMFYSA-N 0 3 357.414 2.684 20 5 FFBDHN CC(C)S(=O)(=O)CCN[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000290520170 257338208 /nfs/dbraw/zinc/33/82/08/257338208.db2.gz YXQDMBXEUVIRID-ZBFHGGJFSA-N 0 3 354.472 2.719 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000290485495 257334695 /nfs/dbraw/zinc/33/46/95/257334695.db2.gz VQLDGZPIPOMGTA-NVXWUHKLSA-N 0 3 370.361 2.524 20 5 FFBDHN COCCOC1(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)CCOCC1 ZINC000296391933 257701725 /nfs/dbraw/zinc/70/17/25/257701725.db2.gz KCTCZOOMMXBUAB-HNNXBMFYSA-N 0 3 352.431 2.766 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(Cc1cccnc1)C1CC1 ZINC000299694244 258017224 /nfs/dbraw/zinc/01/72/24/258017224.db2.gz ODPNYFXTJWRBBU-UHFFFAOYSA-N 0 3 370.409 2.992 20 5 FFBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000302177207 258093128 /nfs/dbraw/zinc/09/31/28/258093128.db2.gz OVEAETJKHVPBBF-AUUYWEPGSA-N 0 3 368.437 2.887 20 5 FFBDHN C[C@@H]1CN(CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000302494060 258104225 /nfs/dbraw/zinc/10/42/25/258104225.db2.gz ATKVBVCDEFMLGP-OAHLLOKOSA-N 0 3 370.453 2.938 20 5 FFBDHN CN(C)[C@@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)c1ccccc1 ZINC000301588739 258057821 /nfs/dbraw/zinc/05/78/21/258057821.db2.gz CDLMAGWRQACRPU-INIZCTEOSA-N 0 3 356.382 2.641 20 5 FFBDHN O=[N+]([O-])c1cnc2ccc(NC3CCN(Cc4ccccc4)CC3)nn21 ZINC000301831497 258069921 /nfs/dbraw/zinc/06/99/21/258069921.db2.gz ILOXONNFRXWASF-UHFFFAOYSA-N 0 3 352.398 2.714 20 5 FFBDHN CC(C)c1ccc(CN[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000331023910 258175411 /nfs/dbraw/zinc/17/54/11/258175411.db2.gz RWHWGGNYOGLGIZ-HZPDHXFCSA-N 0 3 369.487 2.668 20 5 FFBDHN Cc1c(NC(=O)CCN2C[C@@H]3CCCCN3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000332008721 258209995 /nfs/dbraw/zinc/20/99/95/258209995.db2.gz JSUQEZANNSMVID-HOCLYGCPSA-N 0 3 360.458 2.790 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1N1CCCC1 ZINC000332071465 258212763 /nfs/dbraw/zinc/21/27/63/258212763.db2.gz CIQDZRTUEVQHLS-LSDHHAIUSA-N 0 3 369.874 2.900 20 5 FFBDHN C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@H](N(C)C)C3)cc2[N+](=O)[O-])C1 ZINC000332431011 258230326 /nfs/dbraw/zinc/23/03/26/258230326.db2.gz WSEFSLSJHUGMPS-ZBFHGGJFSA-N 0 3 360.458 2.607 20 5 FFBDHN Cn1cc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c(C(F)(F)F)n1 ZINC000331687428 258196446 /nfs/dbraw/zinc/19/64/46/258196446.db2.gz XUSOVZSJPYUTOF-VXGBXAGGSA-N 0 3 372.351 2.817 20 5 FFBDHN Cc1noc([C@@H]2CCCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000052862430 506268635 /nfs/dbraw/zinc/26/86/35/506268635.db2.gz KXIHUJZNKMGKKU-CQSZACIVSA-N 0 3 373.413 2.803 20 5 FFBDHN O=C(NC1CCN(C2CC2)CC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000032923827 506313267 /nfs/dbraw/zinc/31/32/67/506313267.db2.gz ZXBLISYIFOXTHJ-UHFFFAOYSA-N 0 3 358.442 2.552 20 5 FFBDHN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCN2CCC1CC2 ZINC000375159747 512189277 /nfs/dbraw/zinc/18/92/77/512189277.db2.gz OAVTWBZTYWUELH-UHFFFAOYSA-N 0 3 372.347 2.603 20 5 FFBDHN Cn1cc(CN2CC[C@@]3(C2)CCCOC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000375303298 512258092 /nfs/dbraw/zinc/25/80/92/512258092.db2.gz NTUZFFYZUPKKMK-LJQANCHMSA-N 0 3 356.426 2.998 20 5 FFBDHN CN(C)[C@@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)Cc1ccccc1 ZINC000041799133 506552968 /nfs/dbraw/zinc/55/29/68/506552968.db2.gz CUFYALLRQIOBRH-MRXNPFEDSA-N 0 3 366.421 2.979 20 5 FFBDHN CN(C)Cc1ccc(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000054645433 506593985 /nfs/dbraw/zinc/59/39/85/506593985.db2.gz AFVYNJPLYPOGRA-UHFFFAOYSA-N 0 3 356.426 2.698 20 5 FFBDHN O=C(NCc1ccccc1[N+](=O)[O-])N[C@H]1CCN(Cc2ccccc2)C1 ZINC000043238267 506719359 /nfs/dbraw/zinc/71/93/59/506719359.db2.gz DOQOCNSGEDLCEV-KRWDZBQOSA-N 0 3 354.410 2.669 20 5 FFBDHN C[C@@H]1CCCCN1CCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000017281876 507118971 /nfs/dbraw/zinc/11/89/71/507118971.db2.gz NVTANQCKHXPNMZ-CYBMUJFWSA-N 0 3 355.460 2.675 20 5 FFBDHN COc1ccc([C@@H](C)NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1F ZINC000024102448 507392983 /nfs/dbraw/zinc/39/29/83/507392983.db2.gz ZCPMAWFGMNPGIO-IUODEOHRSA-N 0 3 364.373 2.833 20 5 FFBDHN Cc1ccc(S(=O)(=O)NCC2(N(C)C)CCCCCC2)cc1[N+](=O)[O-] ZINC000026956787 507623547 /nfs/dbraw/zinc/62/35/47/507623547.db2.gz XYMQSOMNTNKTLA-UHFFFAOYSA-N 0 3 369.487 2.836 20 5 FFBDHN CCc1ccc([C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000027596132 507669528 /nfs/dbraw/zinc/66/95/28/507669528.db2.gz HSEPKIYASRZJIK-IBGZPJMESA-N 0 3 371.437 2.955 20 5 FFBDHN COc1ccc(C(=O)NCCN[C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000089514281 507844493 /nfs/dbraw/zinc/84/44/93/507844493.db2.gz HNWQYOYHNZFPED-CQSZACIVSA-N 0 3 357.410 2.992 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2nc(CN3CCN(c4ccncc4)CC3)co2)cc1 ZINC000089909673 507882331 /nfs/dbraw/zinc/88/23/31/507882331.db2.gz PYNRQZNAIGZSRJ-UHFFFAOYSA-N 0 3 365.393 2.967 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@H]3CCOC3)CC2)nc1-c1ccccc1 ZINC000090107307 507908782 /nfs/dbraw/zinc/90/87/82/507908782.db2.gz KZVCNPOCUXNKIF-MRXNPFEDSA-N 0 3 368.437 2.815 20 5 FFBDHN CN(C)[C@@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000073491540 507925063 /nfs/dbraw/zinc/92/50/63/507925063.db2.gz VUNVEQRQPRUSFD-GOSISDBHSA-N 0 3 370.453 2.609 20 5 FFBDHN C[C@H](c1ccncc1)N(C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000091990419 508031484 /nfs/dbraw/zinc/03/14/84/508031484.db2.gz QYAXJHLXWCWFBF-CYBMUJFWSA-N 0 3 356.382 2.981 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000080959063 508117234 /nfs/dbraw/zinc/11/72/34/508117234.db2.gz MEHFGGDUIYGDQQ-CQSZACIVSA-N 0 3 357.414 2.835 20 5 FFBDHN C[C@@H](CN1CCCCC1)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000097069064 508218241 /nfs/dbraw/zinc/21/82/41/508218241.db2.gz PLDIBCDITVDJJH-AWEZNQCLSA-N 0 3 371.441 2.600 20 5 FFBDHN CCN(C)CCNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000112926997 508234832 /nfs/dbraw/zinc/23/48/32/508234832.db2.gz WIAPAIVBUJATCC-UHFFFAOYSA-N 0 3 356.426 2.888 20 5 FFBDHN O=[N+]([O-])c1cnn(CCN(Cc2ccccc2)C[C@@H](O)c2ccco2)c1 ZINC000084135373 508266867 /nfs/dbraw/zinc/26/68/67/508266867.db2.gz OMXZSIPASAAJBS-QGZVFWFLSA-N 0 3 356.382 2.620 20 5 FFBDHN COc1cc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000114644111 508333619 /nfs/dbraw/zinc/33/36/19/508333619.db2.gz POJZPQKPMRASQY-KRWDZBQOSA-N 0 3 369.421 2.998 20 5 FFBDHN Cc1c(CC(=O)N2C[C@@H](N(C)C)Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000121988482 508462795 /nfs/dbraw/zinc/46/27/95/508462795.db2.gz MQDAJSCUVKHHPB-KRWDZBQOSA-N 0 3 353.422 2.965 20 5 FFBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000116045370 508465271 /nfs/dbraw/zinc/46/52/71/508465271.db2.gz MIMVFJUVGWWOQR-UHFFFAOYSA-N 0 3 357.414 2.724 20 5 FFBDHN COc1ccc(OCCN2CC[C@H](C)[C@@H](n3ccnc3)C2)c([N+](=O)[O-])c1 ZINC000122342604 508520205 /nfs/dbraw/zinc/52/02/05/508520205.db2.gz FLCKJRJFCIFRML-YOEHRIQHSA-N 0 3 360.414 2.762 20 5 FFBDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccc([N+](=O)[O-])o3)c2)CC1 ZINC000122491977 508543063 /nfs/dbraw/zinc/54/30/63/508543063.db2.gz IZRIBDSWOWCKAP-UHFFFAOYSA-N 0 3 358.398 2.971 20 5 FFBDHN CCOC[C@@H]1CCCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000117341906 508593788 /nfs/dbraw/zinc/59/37/88/508593788.db2.gz DKNYGRIUVMRTDD-CQSZACIVSA-N 0 3 363.414 2.641 20 5 FFBDHN C[C@@H]1CN(CCCCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000119104815 508726753 /nfs/dbraw/zinc/72/67/53/508726753.db2.gz APHOHUOUVISWHA-BETUJISGSA-N 0 3 369.849 2.867 20 5 FFBDHN CCCN(CCN(C)C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000119163507 508739057 /nfs/dbraw/zinc/73/90/57/508739057.db2.gz BHRVZRZERCUHCC-UHFFFAOYSA-N 0 3 358.236 2.771 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CN1C1CC1 ZINC000154241727 508744299 /nfs/dbraw/zinc/74/42/99/508744299.db2.gz IUVIJSUCHKKNRE-ZFWWWQNUSA-N 0 3 358.442 2.894 20 5 FFBDHN CC(C)CO[C@H]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000119503515 508808636 /nfs/dbraw/zinc/80/86/36/508808636.db2.gz RIKFIVOAFVTZQL-HNNXBMFYSA-N 0 3 363.414 2.640 20 5 FFBDHN CC(C)CO[C@@H]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000119503362 508809330 /nfs/dbraw/zinc/80/93/30/508809330.db2.gz RIKFIVOAFVTZQL-OAHLLOKOSA-N 0 3 363.414 2.640 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000119701405 508846600 /nfs/dbraw/zinc/84/66/00/508846600.db2.gz OBVFGPVNMNDHLX-ACJLOTCBSA-N 0 3 357.385 2.984 20 5 FFBDHN COc1ccc(NC(=O)[C@H](C)N[C@H]2CC(C)(C)OC2(C)C)c([N+](=O)[O-])c1 ZINC000119803766 508866405 /nfs/dbraw/zinc/86/64/05/508866405.db2.gz CDYLQKQDZNJBIZ-NHYWBVRUSA-N 0 3 365.430 2.866 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000119971521 508901164 /nfs/dbraw/zinc/90/11/64/508901164.db2.gz YPQCUCYSMNWCHT-OAHLLOKOSA-N 0 3 364.446 2.786 20 5 FFBDHN C[C@H]1CCCCN1CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000159896261 508907248 /nfs/dbraw/zinc/90/72/48/508907248.db2.gz SVLIHYMWVYBWHJ-NSHDSACASA-N 0 3 370.247 2.962 20 5 FFBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H](CO)Cc2ccccc2)c1 ZINC000131529616 508945224 /nfs/dbraw/zinc/94/52/24/508945224.db2.gz WESVJERWESLAIH-AWEZNQCLSA-N 0 3 352.337 2.889 20 5 FFBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CCCN(CC(C)C)C1 ZINC000120257223 508959587 /nfs/dbraw/zinc/95/95/87/508959587.db2.gz AIOASBYMSMLWDM-OAHLLOKOSA-N 0 3 369.487 2.550 20 5 FFBDHN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H](N2CCCC2)C1 ZINC000120814722 509069890 /nfs/dbraw/zinc/06/98/90/509069890.db2.gz NALHCWAGTUDDCC-GFCCVEGCSA-N 0 3 368.231 2.668 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CCC(C[NH+](C)C)CC2)c1C ZINC000151768758 509079575 /nfs/dbraw/zinc/07/95/75/509079575.db2.gz GFMLWTYEMOQPAX-UHFFFAOYSA-N 0 3 369.487 2.610 20 5 FFBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000120871582 509080137 /nfs/dbraw/zinc/08/01/37/509080137.db2.gz AGYJGDZJJFFLBK-QGZVFWFLSA-N 0 3 362.474 2.901 20 5 FFBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000121060117 509119930 /nfs/dbraw/zinc/11/99/30/509119930.db2.gz TVRFTIUBEAJWFY-ZDUSSCGKSA-N 0 3 368.231 2.571 20 5 FFBDHN CCN1CCC(N(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000161816974 509156072 /nfs/dbraw/zinc/15/60/72/509156072.db2.gz YLMKTDSDZAPABL-UHFFFAOYSA-N 0 3 370.247 2.914 20 5 FFBDHN Cc1ccsc1[C@H](C)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000162106282 509172611 /nfs/dbraw/zinc/17/26/11/509172611.db2.gz QABJBWHOFWGLMZ-LBPRGKRZSA-N 0 3 369.468 2.594 20 5 FFBDHN O=C1O[C@H](CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC12CCC2 ZINC000192048246 509317647 /nfs/dbraw/zinc/31/76/47/509317647.db2.gz RJFVIJSKSUFVLJ-KRWDZBQOSA-N 0 3 360.410 2.924 20 5 FFBDHN C[C@@H](CN1CCCCC1)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000182655683 509354068 /nfs/dbraw/zinc/35/40/68/509354068.db2.gz PEHRKCYPBAYTRC-NSHDSACASA-N 0 3 370.247 2.962 20 5 FFBDHN COc1cc(CN[C@@H](CO)Cc2cccc(C)c2)c([N+](=O)[O-])cc1OC ZINC000189021344 509373146 /nfs/dbraw/zinc/37/31/46/509373146.db2.gz KDYLBNJLWUFANZ-MRXNPFEDSA-N 0 3 360.410 2.614 20 5 FFBDHN CS(=O)(=O)c1ccc(NC2CCN(C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000267208322 509393569 /nfs/dbraw/zinc/39/35/69/509393569.db2.gz PYSYTNZUYDCRGU-UHFFFAOYSA-N 0 3 367.471 2.817 20 5 FFBDHN C[C@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[C@H](N)c1ccccc1 ZINC000163580795 509395105 /nfs/dbraw/zinc/39/51/05/509395105.db2.gz HHARYAOBDCRPGR-KXBFYZLASA-N 0 3 368.437 2.580 20 5 FFBDHN Cc1cccc(C(=O)NCCc2ccc(OCCN(C)C)cc2)c1[N+](=O)[O-] ZINC000264267733 509423003 /nfs/dbraw/zinc/42/30/03/509423003.db2.gz RHHVHUFPMSQIDP-UHFFFAOYSA-N 0 3 371.437 2.816 20 5 FFBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000176303347 509432254 /nfs/dbraw/zinc/43/22/54/509432254.db2.gz POLMIQQDEXREFH-AEFFLSMTSA-N 0 3 360.458 2.872 20 5 FFBDHN CCOc1ccc([C@H](C)NCCN2CCOCC2(C)C)cc1[N+](=O)[O-] ZINC000179418294 509432627 /nfs/dbraw/zinc/43/26/27/509432627.db2.gz OWLFIYKLRORKJE-AWEZNQCLSA-N 0 3 351.447 2.755 20 5 FFBDHN O=C(CN1CC[C@H](N2CCCCC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000264538480 509587069 /nfs/dbraw/zinc/58/70/69/509587069.db2.gz AHTFVHVDPNELPU-AWEZNQCLSA-N 0 3 366.849 2.747 20 5 FFBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000183089698 509590209 /nfs/dbraw/zinc/59/02/09/509590209.db2.gz UIVUYQOCRQDGGQ-YPMHNXCESA-N 0 3 369.368 2.895 20 5 FFBDHN C[C@H](N[C@@H](C)C1CCOCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000179876128 509657718 /nfs/dbraw/zinc/65/77/18/509657718.db2.gz JADWNRQBGMZULB-QWRGUYRKSA-N 0 3 355.822 2.980 20 5 FFBDHN COc1ccc(NC(=O)CN[C@@H]2CCCO[C@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000186364038 509670511 /nfs/dbraw/zinc/67/05/11/509670511.db2.gz BYUVBGUGXFKAOE-WBVHZDCISA-N 0 3 365.430 2.725 20 5 FFBDHN C[C@@H]1CN(CCCCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@@H](C)O1 ZINC000267960525 509689920 /nfs/dbraw/zinc/68/99/20/509689920.db2.gz DLSIWYQWBDFLAO-ZIAGYGMSSA-N 0 3 374.441 2.695 20 5 FFBDHN CC[C@H]1CN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCS1 ZINC000173928952 509860173 /nfs/dbraw/zinc/86/01/73/509860173.db2.gz FURMZUAJEFQFMG-ZDUSSCGKSA-N 0 3 353.444 2.759 20 5 FFBDHN CC(C)N1C[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000268336891 509876227 /nfs/dbraw/zinc/87/62/27/509876227.db2.gz GEQYWZQDEIRWSE-GWCFXTLKSA-N 0 3 370.247 2.816 20 5 FFBDHN COc1cccc(COC[C@@H](O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180419974 509916171 /nfs/dbraw/zinc/91/61/71/509916171.db2.gz YCCADIWHYKVOKR-KSSFIOAISA-N 0 3 360.410 2.832 20 5 FFBDHN COC(=O)c1cnc(NCCCN2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000190166903 509982010 /nfs/dbraw/zinc/98/20/10/509982010.db2.gz ZROKELKVBYMYTQ-UHFFFAOYSA-N 0 3 370.409 2.637 20 5 FFBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000184048291 510104852 /nfs/dbraw/zinc/10/48/52/510104852.db2.gz VFVZHITWRQUECB-JQIJEIRASA-N 0 3 373.453 2.569 20 5 FFBDHN C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC000187183014 510107809 /nfs/dbraw/zinc/10/78/09/510107809.db2.gz ADTOCUKTFXGDMN-AUUYWEPGSA-N 0 3 357.410 2.781 20 5 FFBDHN O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187218062 510129531 /nfs/dbraw/zinc/12/95/31/510129531.db2.gz QLZLCCSAEANKGH-UHFFFAOYSA-N 0 3 356.382 2.586 20 5 FFBDHN CN(C)Cc1cccc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000193924152 510131198 /nfs/dbraw/zinc/13/11/98/510131198.db2.gz FNXKSBHKNAGKSV-UHFFFAOYSA-N 0 3 368.437 2.619 20 5 FFBDHN Cn1ccnc1[C@H]1CNCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000262048391 510159373 /nfs/dbraw/zinc/15/93/73/510159373.db2.gz QARSCROFEWSRDK-QGZVFWFLSA-N 0 3 367.409 2.735 20 5 FFBDHN CN(Cc1ccc(Cl)c(Cl)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174658038 510234910 /nfs/dbraw/zinc/23/49/10/510234910.db2.gz UPKCYKPQEWXJLJ-LBPRGKRZSA-N 0 3 359.213 2.591 20 5 FFBDHN COc1cc(CN[C@@H]2CCO[C@]3(CCSC3)C2)c([N+](=O)[O-])cc1OC ZINC000269152069 510260797 /nfs/dbraw/zinc/26/07/97/510260797.db2.gz QEPZMJCLINMSTL-CXAGYDPISA-N 0 3 368.455 2.756 20 5 FFBDHN Cc1ccc([C@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)N(C)C)cc1 ZINC000181070945 510268309 /nfs/dbraw/zinc/26/83/09/510268309.db2.gz HEQUMOOZCUEINF-INIZCTEOSA-N 0 3 371.393 2.665 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H]2c2ccccc2Cl)c1 ZINC000174740435 510285279 /nfs/dbraw/zinc/28/52/79/510285279.db2.gz JPGQVJPDOLUNSU-XJKSGUPXSA-N 0 3 350.806 2.643 20 5 FFBDHN CC(C)c1ccc([C@H](N)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1 ZINC000262536233 510310862 /nfs/dbraw/zinc/31/08/62/510310862.db2.gz BEPRMEYOIHSFSI-OAHLLOKOSA-N 0 3 360.389 2.869 20 5 FFBDHN Cc1ccc([C@H](C)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000178006730 510371468 /nfs/dbraw/zinc/37/14/68/510371468.db2.gz KXIHXPQUPBORGG-AWEZNQCLSA-N 0 3 363.439 2.532 20 5 FFBDHN CN(C)Cc1cccc(CNC(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000266159227 510438951 /nfs/dbraw/zinc/43/89/51/510438951.db2.gz WFEUKVPOSYAHAN-UHFFFAOYSA-N 0 3 356.426 2.698 20 5 FFBDHN C[C@H]1NCCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H]1C ZINC000262853256 510440800 /nfs/dbraw/zinc/44/08/00/510440800.db2.gz SOXIUGINGCRYAM-MNOVXSKESA-N 0 3 374.363 2.624 20 5 FFBDHN COc1ccc(NC(=O)CCN[C@H](C)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000181521360 510451684 /nfs/dbraw/zinc/45/16/84/510451684.db2.gz OTLVPBZLNOIJQR-GFCCVEGCSA-N 0 3 359.382 2.988 20 5 FFBDHN CCN1CCN(CCNC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000171979549 510483970 /nfs/dbraw/zinc/48/39/70/510483970.db2.gz GEBRINJVLIQRLS-UHFFFAOYSA-N 0 3 362.477 2.755 20 5 FFBDHN Cc1c(NC(=O)CCN(C)[C@@H](CO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000269614239 510484769 /nfs/dbraw/zinc/48/47/69/510484769.db2.gz SDQYSDIPMGLKSV-SFHVURJKSA-N 0 3 357.410 2.897 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@H](CO)c1ccccc1 ZINC000269628913 510489792 /nfs/dbraw/zinc/48/97/92/510489792.db2.gz VUFUXKIEGJUEAN-GOSISDBHSA-N 0 3 357.410 2.897 20 5 FFBDHN C[C@@H](NCCOc1cccc([N+](=O)[O-])c1)c1ccc(-n2cncn2)cc1 ZINC000181880931 510638885 /nfs/dbraw/zinc/63/88/85/510638885.db2.gz RJXBJWNUOKKLHI-CQSZACIVSA-N 0 3 353.382 2.905 20 5 FFBDHN CN(Cc1cccc([N+](=O)[O-])c1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188302651 510698215 /nfs/dbraw/zinc/69/82/15/510698215.db2.gz IDESMPKPADQVRQ-HXUWFJFHSA-N 0 3 355.438 2.664 20 5 FFBDHN Cc1ccc(OCCN(C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000182190522 510805980 /nfs/dbraw/zinc/80/59/80/510805980.db2.gz PIUPUZYXHHBYPI-INIZCTEOSA-N 0 3 360.410 2.654 20 5 FFBDHN COC(=O)[C@@H]1CCCC[C@]1(C)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000270433165 510807224 /nfs/dbraw/zinc/80/72/24/510807224.db2.gz JNSFWKBMNHFDSB-YJBOKZPZSA-N 0 3 364.398 2.673 20 5 FFBDHN COC(=O)C(C)(C)CCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000285449490 510911154 /nfs/dbraw/zinc/91/11/54/510911154.db2.gz IXCXQZQFYJTVTR-UHFFFAOYSA-N 0 3 360.414 2.674 20 5 FFBDHN CN(CCC(=O)Nc1cc(N)ccc1F)CCc1cccc([N+](=O)[O-])c1 ZINC000282417589 510968813 /nfs/dbraw/zinc/96/88/13/510968813.db2.gz JBODMSDJLOJKEF-UHFFFAOYSA-N 0 3 360.389 2.819 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCCN2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000277737118 510970709 /nfs/dbraw/zinc/97/07/09/510970709.db2.gz KLKWETBLMHHZSK-WFASDCNBSA-N 0 3 362.348 2.999 20 5 FFBDHN CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)Cc1ccncc1 ZINC000270972319 511043574 /nfs/dbraw/zinc/04/35/74/511043574.db2.gz CZOGOLUZHCCJDG-UHFFFAOYSA-N 0 3 358.398 2.849 20 5 FFBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCC(=O)NCC(F)(F)F ZINC000271019391 511059353 /nfs/dbraw/zinc/05/93/53/511059353.db2.gz AFGLXLMSNWWJMY-SNVBAGLBSA-N 0 3 365.377 2.734 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CN1C1CC1 ZINC000279381561 511063161 /nfs/dbraw/zinc/06/31/61/511063161.db2.gz VAFJGJCBGCYDKB-ONGXEEELSA-N 0 3 355.797 2.671 20 5 FFBDHN COc1ccc(CN[C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000294480443 511078832 /nfs/dbraw/zinc/07/88/32/511078832.db2.gz ZYMNAUHNDFBQQE-LBPRGKRZSA-N 0 3 365.430 2.948 20 5 FFBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000298087473 511170791 /nfs/dbraw/zinc/17/07/91/511170791.db2.gz ZPCZXYMNLHDZSI-GFCCVEGCSA-N 0 3 366.437 2.602 20 5 FFBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCC3(CCOCC3)[C@@H]2O)c(Cl)c1 ZINC000282959926 511177726 /nfs/dbraw/zinc/17/77/26/511177726.db2.gz YIZAIBPPCYKJBI-XJKSGUPXSA-N 0 3 354.834 2.906 20 5 FFBDHN CC(C)N1CCCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000292324510 511554189 /nfs/dbraw/zinc/55/41/89/511554189.db2.gz BPWNPPDWTTXLNY-CYBMUJFWSA-N 0 3 368.865 2.991 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000365673099 511593444 /nfs/dbraw/zinc/59/34/44/511593444.db2.gz PTGJPDXSFUNKBJ-MNZLEMJZSA-N 0 3 351.406 2.763 20 5 FFBDHN CO[C@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1(C)C ZINC000296103491 511620139 /nfs/dbraw/zinc/62/01/39/511620139.db2.gz RCVJTVIYBOLWPZ-HNNXBMFYSA-N 0 3 353.394 2.809 20 5 FFBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COCC(F)(F)F ZINC000292509795 511623353 /nfs/dbraw/zinc/62/33/53/511623353.db2.gz TZYQHIQRXFNFEB-AWEZNQCLSA-N 0 3 350.337 2.745 20 5 FFBDHN O=C(c1ccc([N+](=O)[O-])cn1)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000365738132 511629668 /nfs/dbraw/zinc/62/96/68/511629668.db2.gz GSIQZPFMMMFERD-SJORKVTESA-N 0 3 366.421 2.584 20 5 FFBDHN CC1(C)[C@H](NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]2CCO[C@H]21 ZINC000296144131 511634233 /nfs/dbraw/zinc/63/42/33/511634233.db2.gz JTZHZDILNPLYHR-COLVAYQJSA-N 0 3 353.806 2.590 20 5 FFBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000296215961 511659349 /nfs/dbraw/zinc/65/93/49/511659349.db2.gz CXJXRUGELZTOEC-RDJZCZTQSA-N 0 3 359.426 2.500 20 5 FFBDHN O=[N+]([O-])c1ccc2[nH]c(CNC3CCN(Cc4ccncc4)CC3)nc2c1 ZINC000365819502 511667579 /nfs/dbraw/zinc/66/75/79/511667579.db2.gz VKKRRGLXDDUTKQ-UHFFFAOYSA-N 0 3 366.425 2.620 20 5 FFBDHN O=[N+]([O-])c1ccc(F)cc1CN1CCC(CCN2CCOCC2)CC1 ZINC000363665033 511692901 /nfs/dbraw/zinc/69/29/01/511692901.db2.gz GINWSTUWXLRBFG-UHFFFAOYSA-N 0 3 351.422 2.668 20 5 FFBDHN CC1(C)[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]2CCO[C@@H]21 ZINC000296477785 511759702 /nfs/dbraw/zinc/75/97/02/511759702.db2.gz YEKASMLYMYNZJG-KMUNFCNLSA-N 0 3 353.806 2.590 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000366199334 511896153 /nfs/dbraw/zinc/89/61/53/511896153.db2.gz GKZBWHACVKFNKU-HOCLYGCPSA-N 0 3 354.410 2.773 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@H]1N1CCCC1 ZINC000275126073 512049353 /nfs/dbraw/zinc/04/93/53/512049353.db2.gz NRUAKJUYZSVCEE-HZPDHXFCSA-N 0 3 374.466 2.728 20 5 FFBDHN CN1CC[C@@]2(CCN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)C1 ZINC000366533837 512076503 /nfs/dbraw/zinc/07/65/03/512076503.db2.gz UNWNSBJODNRAGI-GOSISDBHSA-N 0 3 372.450 2.886 20 5 FFBDHN CC(=O)c1cc(N2CCC(C)(CN3CCN(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000367348398 512456183 /nfs/dbraw/zinc/45/61/83/512456183.db2.gz OBXUHKMXHSABLT-UHFFFAOYSA-N 0 3 374.485 2.651 20 5 FFBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](CCO)c1ccccc1 ZINC000411287885 512563889 /nfs/dbraw/zinc/56/38/89/512563889.db2.gz BJWJMHWMZGTNKT-GOSISDBHSA-N 0 3 357.410 2.979 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@@H](C)N2CCC[C@H](C)C2)c1F ZINC000411414772 512624340 /nfs/dbraw/zinc/62/43/40/512624340.db2.gz BZAGILSBMDUUDV-QWHCGFSZSA-N 0 3 367.421 2.522 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000372018485 512681312 /nfs/dbraw/zinc/68/13/12/512681312.db2.gz WQRIHMSFWMHOOC-HNNXBMFYSA-N 0 3 355.394 2.873 20 5 FFBDHN C[C@H]1[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCN1Cc1ccccc1 ZINC000383835698 512881562 /nfs/dbraw/zinc/88/15/62/512881562.db2.gz SXBJJCHULPGTKW-LRDDRELGSA-N 0 3 372.400 2.709 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000398001240 512952284 /nfs/dbraw/zinc/95/22/84/512952284.db2.gz NNIBHMPPZRTSJT-YOEHRIQHSA-N 0 3 368.437 2.817 20 5 FFBDHN Cc1ccc([C@@H](C)N[C@H]2CCN(c3ccccc3C(N)=O)C2)cc1[N+](=O)[O-] ZINC000370636646 513026980 /nfs/dbraw/zinc/02/69/80/513026980.db2.gz SAGGRCATVZYJQD-ZBFHGGJFSA-N 0 3 368.437 2.932 20 5 FFBDHN Cc1ncc2c(n1)CC[C@H](NCc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000368824408 513115059 /nfs/dbraw/zinc/11/50/59/513115059.db2.gz RZKFHNPHUFQXFM-ZDUSSCGKSA-N 0 3 364.352 2.942 20 5 FFBDHN COC(=O)[C@@]1(c2ccccc2)CCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000428816447 513200931 /nfs/dbraw/zinc/20/09/31/513200931.db2.gz ILTBPZBCWDTLNU-FQEVSTJZSA-N 0 3 370.405 2.920 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000429022030 513257997 /nfs/dbraw/zinc/25/79/97/513257997.db2.gz RBXIZWHAVKIKAC-DDUZABMNSA-N 0 3 360.458 2.504 20 5 FFBDHN C[C@H](CN1CCCCCC1)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000450744043 513323114 /nfs/dbraw/zinc/32/31/14/513323114.db2.gz KNPNDQSJBCSSRT-OAHLLOKOSA-N 0 3 361.442 2.938 20 5 FFBDHN CCC1(CC)[C@H](OC)C[C@@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000429284603 513325898 /nfs/dbraw/zinc/32/58/98/513325898.db2.gz KXXPJUMMLFOTLL-DLBZAZTESA-N 0 3 361.442 2.667 20 5 FFBDHN CCC1(CC)[C@H](NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1OC ZINC000429284609 513326235 /nfs/dbraw/zinc/32/62/35/513326235.db2.gz KXXPJUMMLFOTLL-SJORKVTESA-N 0 3 361.442 2.667 20 5 FFBDHN C[C@@H]1CCCN(c2ccc(C(=O)N(C)C[C@H]3CCCN3C)cc2[N+](=O)[O-])C1 ZINC000421706636 513379316 /nfs/dbraw/zinc/37/93/16/513379316.db2.gz VINZUDIPRDGDCW-NVXWUHKLSA-N 0 3 374.485 2.997 20 5 FFBDHN CN1C[C@@H]2CCCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000425056996 513394179 /nfs/dbraw/zinc/39/41/79/513394179.db2.gz AQLJXMGJVLDFQO-SMDDNHRTSA-N 0 3 369.874 2.893 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000421787627 513427367 /nfs/dbraw/zinc/42/73/67/513427367.db2.gz QCPFEFNLGKJRHQ-IYBDPMFKSA-N 0 3 363.458 2.831 20 5 FFBDHN COc1ccc(CNC(=O)Nc2ccc3c(c2)CNCC3)cc1[N+](=O)[O-] ZINC000415880217 513459919 /nfs/dbraw/zinc/45/99/19/513459919.db2.gz FBYRGCJDYHUNRZ-UHFFFAOYSA-N 0 3 356.382 2.571 20 5 FFBDHN C[C@H]([C@H]1Cc2ccccc2O1)N(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000441017014 513461552 /nfs/dbraw/zinc/46/15/52/513461552.db2.gz WKDOCOGDMNNWAB-WIBUTAKZSA-N 0 3 372.421 2.659 20 5 FFBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1F)CCNC2 ZINC000415952386 513496487 /nfs/dbraw/zinc/49/64/87/513496487.db2.gz GZIHHQKWXIYALY-UHFFFAOYSA-N 0 3 358.373 2.744 20 5 FFBDHN C[C@H](c1cccc(C(F)(F)F)c1)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441276559 513525818 /nfs/dbraw/zinc/52/58/18/513525818.db2.gz KLSHLTGQLWKRBZ-ABAIWWIYSA-N 0 3 372.347 2.864 20 5 FFBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCc1ccc2c(c1)CNC2 ZINC000418558994 513557669 /nfs/dbraw/zinc/55/76/69/513557669.db2.gz VHOBYWNLRGCNLG-UHFFFAOYSA-N 0 3 354.410 2.582 20 5 FFBDHN C[C@H]1CCCCN1CCNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000447812627 513578768 /nfs/dbraw/zinc/57/87/68/513578768.db2.gz NBGOKBQQBZPWAQ-INIZCTEOSA-N 0 3 362.474 2.713 20 5 FFBDHN COc1ccc(CNC(=O)C[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000416130264 513585587 /nfs/dbraw/zinc/58/55/87/513585587.db2.gz HUEVMMLRGSNBCM-INIZCTEOSA-N 0 3 357.410 2.913 20 5 FFBDHN COC(=O)[C@@H]1CCCCC[C@@H]1N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451226421 513607466 /nfs/dbraw/zinc/60/74/66/513607466.db2.gz AAEKFXWJMOEYDU-MJBXVCDLSA-N 0 3 363.414 2.633 20 5 FFBDHN COC(=O)[C@@H]1CCCCC[C@@H]1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000451229700 513608601 /nfs/dbraw/zinc/60/86/01/513608601.db2.gz NAVHWEITQBLJFH-MAZHCROVSA-N 0 3 363.414 2.633 20 5 FFBDHN CN(c1ccccc1)c1ccc(CNCCn2cc([N+](=O)[O-])cn2)cn1 ZINC000435782268 513682663 /nfs/dbraw/zinc/68/26/63/513682663.db2.gz OVJBLSLHYYJZKP-UHFFFAOYSA-N 0 3 352.398 2.744 20 5 FFBDHN COc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)ccc1OCCN(C)C ZINC000416345023 513724438 /nfs/dbraw/zinc/72/44/38/513724438.db2.gz WFCQDMNQSZXHNK-UHFFFAOYSA-N 0 3 373.409 2.725 20 5 FFBDHN CC1(C)[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]2CCCO[C@@H]21 ZINC000451479057 513776263 /nfs/dbraw/zinc/77/62/63/513776263.db2.gz LQWZMMAJFMIPTA-XZJROXQQSA-N 0 3 367.833 2.980 20 5 FFBDHN CCOc1ccc(NC(=O)CN2CCNCc3ccccc32)c([N+](=O)[O-])c1 ZINC000430928906 513784414 /nfs/dbraw/zinc/78/44/14/513784414.db2.gz VHNSLUZHRBMCBW-UHFFFAOYSA-N 0 3 370.409 2.542 20 5 FFBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H]2[C@@H](C)[C@@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451502476 513794748 /nfs/dbraw/zinc/79/47/48/513794748.db2.gz PXCNBQCXMLHESJ-OXUXUCFPSA-N 0 3 365.430 2.580 20 5 FFBDHN CN(Cc1ccc([N+](=O)[O-])cc1F)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000425967160 513809719 /nfs/dbraw/zinc/80/97/19/513809719.db2.gz NLHSTTCPVSKRDM-FQEVSTJZSA-N 0 3 373.428 2.803 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C(C)C)[C@H](CO)C(C)C ZINC000451590234 513851640 /nfs/dbraw/zinc/85/16/40/513851640.db2.gz BIUODGLVPAAKGB-CRAIPNDOSA-N 0 3 351.447 2.720 20 5 FFBDHN COc1cc(C(=O)N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000448782570 513895860 /nfs/dbraw/zinc/89/58/60/513895860.db2.gz DZBKIESEVRJTKY-RWMBFGLXSA-N 0 3 367.421 2.839 20 5 FFBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CCC(C)CC1 ZINC000448815074 513912185 /nfs/dbraw/zinc/91/21/85/513912185.db2.gz ZMYBGKPCHQFKFR-OAHLLOKOSA-N 0 3 371.441 2.631 20 5 FFBDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448925123 513973120 /nfs/dbraw/zinc/97/31/20/513973120.db2.gz MCMSKMNNXXINOF-OAHLLOKOSA-N 0 3 369.425 2.527 20 5 FFBDHN C[C@H](NC[C@H](O)Cn1ccnn1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414198116 514007516 /nfs/dbraw/zinc/00/75/16/514007516.db2.gz WBIUKQUWJOFZGE-STQMWFEESA-N 0 3 373.438 2.627 20 5 FFBDHN CCOC(=O)c1ccnc(NCCN2CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC000443950999 514079786 /nfs/dbraw/zinc/07/97/86/514079786.db2.gz VZVOVEGSLLLIPR-UHFFFAOYSA-N 0 3 350.419 2.700 20 5 FFBDHN COC(=O)C1CCN(CCCNc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000432157059 514112147 /nfs/dbraw/zinc/11/21/47/514112147.db2.gz XPBJXDLPGJJWSP-UHFFFAOYSA-N 0 3 355.822 2.935 20 5 FFBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H]1NCCc2ccccc21 ZINC000423431314 514140737 /nfs/dbraw/zinc/14/07/37/514140737.db2.gz QJRMJGWVOOYDCS-IFXJQAMLSA-N 0 3 368.437 2.789 20 5 FFBDHN CCn1nccc1N1CCC[C@H](N[C@H](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000449276148 514142611 /nfs/dbraw/zinc/14/26/11/514142611.db2.gz AZFAJCVREBAETL-ZBFHGGJFSA-N 0 3 371.441 2.527 20 5 FFBDHN C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)N1CCO ZINC000449534662 514245096 /nfs/dbraw/zinc/24/50/96/514245096.db2.gz MUVFWNPYBQLRET-GASCZTMLSA-N 0 3 359.426 2.742 20 5 FFBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C)C(=O)NCCc1ccccc1 ZINC000449580668 514261696 /nfs/dbraw/zinc/26/16/96/514261696.db2.gz SPTHGZHYIJZDRX-CVEARBPZSA-N 0 3 355.438 2.863 20 5 FFBDHN Cc1ccccc1[C@@H](CC(F)(F)F)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000444778690 514329448 /nfs/dbraw/zinc/32/94/48/514329448.db2.gz JPARGGURZUVGFN-UKRRQHHQSA-N 0 3 372.347 2.744 20 5 FFBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H]1NCCc2ccccc21 ZINC000414942081 514366996 /nfs/dbraw/zinc/36/69/96/514366996.db2.gz BGYNRQHGHMRWPQ-LIRRHRJNSA-N 0 3 368.437 2.789 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H](CC(F)(F)F)C1 ZINC000420948800 514396673 /nfs/dbraw/zinc/39/66/73/514396673.db2.gz OFFBVIJLQQBHDI-OLZOCXBDSA-N 0 3 362.348 2.999 20 5 FFBDHN CN(C[C@H]1CCCN1C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000421101375 514483838 /nfs/dbraw/zinc/48/38/38/514483838.db2.gz VUWRVKUQEUSOKA-LLVKDONJSA-N 0 3 358.345 2.754 20 5 FFBDHN O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000428542447 514494606 /nfs/dbraw/zinc/49/46/06/514494606.db2.gz RERUVNOKXGTDJB-OAHLLOKOSA-N 0 3 359.357 2.553 20 5 FFBDHN COCC[C@H](CO)NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000466478309 514657266 /nfs/dbraw/zinc/65/72/66/514657266.db2.gz ZDNVIYLRMNKAHJ-MRXNPFEDSA-N 0 3 359.426 2.850 20 5 FFBDHN CN(C)CCn1nccc1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000455662095 514667207 /nfs/dbraw/zinc/66/72/07/514667207.db2.gz VAURSOGBYJFGHZ-UHFFFAOYSA-N 0 3 372.429 2.549 20 5 FFBDHN Cn1c(C(=O)Nc2ccccc2NC2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000502610113 514717663 /nfs/dbraw/zinc/71/76/63/514717663.db2.gz OIWAOJZBVYUWLR-UHFFFAOYSA-N 0 3 357.414 2.692 20 5 FFBDHN Cc1nc(N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)ccc1[N+](=O)[O-] ZINC000471058816 514736461 /nfs/dbraw/zinc/73/64/61/514736461.db2.gz GPHDLCKQNQTDLW-DLBZAZTESA-N 0 3 356.426 2.593 20 5 FFBDHN COc1cc(CN2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000489231147 514761062 /nfs/dbraw/zinc/76/10/62/514761062.db2.gz IPQZPDOHUQGPPA-HLLBOEOZSA-N 0 3 363.458 2.677 20 5 FFBDHN COc1cc(CN2CCN(C)C[C@@H]2C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000471205029 514795505 /nfs/dbraw/zinc/79/55/05/514795505.db2.gz RENYPZYGFDGGJN-CQSZACIVSA-N 0 3 373.400 2.977 20 5 FFBDHN Cc1cc(N2CCCN([C@H](C)CO)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461943065 514798238 /nfs/dbraw/zinc/79/82/38/514798238.db2.gz WCSJEBFMSCOKSV-GFCCVEGCSA-N 0 3 361.364 2.815 20 5 FFBDHN COC(=O)[C@H]1CCN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000508594182 514834241 /nfs/dbraw/zinc/83/42/41/514834241.db2.gz IIIYBNQETKTCCU-LBPRGKRZSA-N 0 3 360.366 2.858 20 5 FFBDHN COCC[C@H](N[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)(C)C ZINC000508986735 514976861 /nfs/dbraw/zinc/97/68/61/514976861.db2.gz KQMMBAYGIMKJFV-LRDDRELGSA-N 0 3 367.446 2.971 20 5 FFBDHN CN(C)[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)c1cccc(F)c1 ZINC000509068507 515008283 /nfs/dbraw/zinc/00/82/83/515008283.db2.gz NRHZSTSFTROYDW-INIZCTEOSA-N 0 3 355.373 2.814 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000467710927 515087640 /nfs/dbraw/zinc/08/76/40/515087640.db2.gz OUFNTROXSZXOKS-YMTOWFKASA-N 0 3 368.231 2.570 20 5 FFBDHN COc1cnccc1N1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000481044849 515183472 /nfs/dbraw/zinc/18/34/72/515183472.db2.gz GUNUHEFRADRVIT-UHFFFAOYSA-N 0 3 365.393 2.873 20 5 FFBDHN C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CCCN1C ZINC000462701953 515199222 /nfs/dbraw/zinc/19/92/22/515199222.db2.gz PEYSKMCVWKYGFH-GOEBONIOSA-N 0 3 356.426 2.885 20 5 FFBDHN C[C@@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)N1CCCCCC1 ZINC000509674186 515283832 /nfs/dbraw/zinc/28/38/32/515283832.db2.gz ZKLOSCOBTMRZDP-INIZCTEOSA-N 0 3 360.458 2.508 20 5 FFBDHN Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)N2CCCC2)cc1 ZINC000499426578 515317605 /nfs/dbraw/zinc/31/76/05/515317605.db2.gz YTWQWEFSMPWECR-KRWDZBQOSA-N 0 3 356.426 2.809 20 5 FFBDHN COc1cc(C(=O)Nc2cccc(OCCN(C)C)c2)ccc1[N+](=O)[O-] ZINC000504561386 515329564 /nfs/dbraw/zinc/32/95/64/515329564.db2.gz RAZZDTGAMYFSFH-UHFFFAOYSA-N 0 3 359.382 2.796 20 5 FFBDHN O=C(NC1CCN(C2CCC2)CC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000456680068 515345538 /nfs/dbraw/zinc/34/55/38/515345538.db2.gz CMVBUMRIVYYKDE-UHFFFAOYSA-N 0 3 369.425 2.527 20 5 FFBDHN CC(C)(C)CC(C)(C)N1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000456685209 515350067 /nfs/dbraw/zinc/35/00/67/515350067.db2.gz CXYAAOCJPFHMTJ-UHFFFAOYSA-N 0 3 365.478 2.540 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])c(N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC000491351794 515418103 /nfs/dbraw/zinc/41/81/03/515418103.db2.gz ZULCXJUNBPDJMT-FQEVSTJZSA-N 0 3 370.453 2.680 20 5 FFBDHN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000481757047 515453771 /nfs/dbraw/zinc/45/37/71/515453771.db2.gz WQJCCCYRSJYVQQ-DLBZAZTESA-N 0 3 369.421 2.578 20 5 FFBDHN CCN1CCCN(Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CC1 ZINC000491876420 515478043 /nfs/dbraw/zinc/47/80/43/515478043.db2.gz QAPGKIVRDHXKFC-UHFFFAOYSA-N 0 3 373.400 2.775 20 5 FFBDHN CN(C(C)(C)CN1CCCCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000492333678 515527159 /nfs/dbraw/zinc/52/71/59/515527159.db2.gz LOLLSGCPWCORHB-UHFFFAOYSA-N 0 3 369.487 2.870 20 5 FFBDHN CN(C)CCOc1cccc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])c1 ZINC000463641358 515566872 /nfs/dbraw/zinc/56/68/72/515566872.db2.gz ANKLTCGJGSHPMZ-UHFFFAOYSA-N 0 3 372.425 2.610 20 5 FFBDHN CC(C)CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cnn(C)c1 ZINC000459575918 515662320 /nfs/dbraw/zinc/66/23/20/515662320.db2.gz CWCPEFITUDWFLC-UHFFFAOYSA-N 0 3 359.430 2.815 20 5 FFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@@H]1C ZINC000493891585 515678355 /nfs/dbraw/zinc/67/83/55/515678355.db2.gz OEJLICDPQHHOSB-LSDHHAIUSA-N 0 3 369.487 2.705 20 5 FFBDHN O=C(CC(F)(F)F)NC[C@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000511063001 515763843 /nfs/dbraw/zinc/76/38/43/515763843.db2.gz GDCILBYSYXRAOL-CQSZACIVSA-N 0 3 373.375 2.918 20 5 FFBDHN COc1cccc2c1C[C@H](NCc1cc(OC)c(OC)cc1[N+](=O)[O-])C2 ZINC000459716139 515763847 /nfs/dbraw/zinc/76/38/47/515763847.db2.gz ZJGLHTQKXXSQLT-CQSZACIVSA-N 0 3 358.394 2.878 20 5 FFBDHN CNc1nc(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000454958050 515857781 /nfs/dbraw/zinc/85/77/81/515857781.db2.gz VHHNTFBPTUDSBS-DZGCQCFKSA-N 0 3 369.425 2.597 20 5 FFBDHN Cc1cnc(N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC000474148867 515905470 /nfs/dbraw/zinc/90/54/70/515905470.db2.gz YCOSAJJHSDUPBV-DLBZAZTESA-N 0 3 356.426 2.593 20 5 FFBDHN O=C(CNC1(CCO)CCCCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000474262689 515961143 /nfs/dbraw/zinc/96/11/43/515961143.db2.gz BFKFRBVQINQRTB-UHFFFAOYSA-N 0 3 355.822 2.862 20 5 FFBDHN CCN1CCC(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000501086347 515973058 /nfs/dbraw/zinc/97/30/58/515973058.db2.gz WGGRSFRLFBXEJK-UHFFFAOYSA-N 0 3 371.235 2.963 20 5 FFBDHN CCCCOC1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000464857539 515992057 /nfs/dbraw/zinc/99/20/57/515992057.db2.gz UGDYDTGUXFODAX-MRXNPFEDSA-N 0 3 352.431 2.616 20 5 FFBDHN CCN(CCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000494908183 516004628 /nfs/dbraw/zinc/00/46/28/516004628.db2.gz HSSMBGARVFYBSZ-UHFFFAOYSA-N 0 3 374.363 2.897 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000474423752 516039776 /nfs/dbraw/zinc/03/97/76/516039776.db2.gz AAYGHGSGNPQDOL-OAHLLOKOSA-N 0 3 370.409 2.999 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000495151934 516083559 /nfs/dbraw/zinc/08/35/59/516083559.db2.gz AABKDQWKIWEOMV-CQSZACIVSA-N 0 3 357.410 2.854 20 5 FFBDHN CC(C)[C@@H](C)NC(=O)C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000507317715 516171616 /nfs/dbraw/zinc/17/16/16/516171616.db2.gz PUQOLFJQPNYRTQ-OAHLLOKOSA-N 0 3 363.458 2.846 20 5 FFBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000507603736 516260761 /nfs/dbraw/zinc/26/07/61/516260761.db2.gz KFQDIVDRBRRBRL-NVXWUHKLSA-N 0 3 369.421 2.925 20 5 FFBDHN CN(c1ccccc1)c1ccc(CNC[C@@H](O)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000522962503 516360787 /nfs/dbraw/zinc/36/07/87/516360787.db2.gz HIEZYVBSAVADLM-OXJNMPFZSA-N 0 3 371.437 2.850 20 5 FFBDHN COC(=O)c1cc(C)nc(N[C@@H](C)CN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000561157829 516415220 /nfs/dbraw/zinc/41/52/20/516415220.db2.gz XGLZCCUOJWLWBM-YPMHNXCESA-N 0 3 350.419 2.617 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])c(NC[C@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC000543790709 516430602 /nfs/dbraw/zinc/43/06/02/516430602.db2.gz ZJLUYLLPIWDZCI-LJQANCHMSA-N 0 3 356.426 2.656 20 5 FFBDHN CN(C)C[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000554523111 516484572 /nfs/dbraw/zinc/48/45/72/516484572.db2.gz MHZSVOBWKTUYBY-QGZVFWFLSA-N 0 3 360.389 2.836 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(Nc2cccc3c2OCC[C@H]3N(C)C)n1 ZINC000561326111 516525076 /nfs/dbraw/zinc/52/50/76/516525076.db2.gz QEYVMFHKWNHGND-CQSZACIVSA-N 0 3 372.381 2.905 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(Nc2cccc3c2OCC[C@@H]3N(C)C)n1 ZINC000561326109 516525429 /nfs/dbraw/zinc/52/54/29/516525429.db2.gz QEYVMFHKWNHGND-AWEZNQCLSA-N 0 3 372.381 2.905 20 5 FFBDHN COc1cc(CN(C)[C@@H]2CCN(C3CC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000513467191 516635951 /nfs/dbraw/zinc/63/59/51/516635951.db2.gz RNYKMUUEESWBHY-CYBMUJFWSA-N 0 3 371.384 2.873 20 5 FFBDHN CN1CC[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000536193839 516672411 /nfs/dbraw/zinc/67/24/11/516672411.db2.gz ULNOVEBZFLGNOY-RBUKOAKNSA-N 0 3 368.437 2.882 20 5 FFBDHN CCOc1ccc(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000561746951 516745494 /nfs/dbraw/zinc/74/54/94/516745494.db2.gz PKYREHZJSOSVTR-IIAWOOMASA-N 0 3 361.442 2.796 20 5 FFBDHN Cc1ccccc1C[C@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544573920 516818596 /nfs/dbraw/zinc/81/85/96/516818596.db2.gz BPUAXSYSTWUMTH-HNNXBMFYSA-N 0 3 362.451 2.898 20 5 FFBDHN CCN1CC[C@@H](N(C)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C ZINC000524881122 516859238 /nfs/dbraw/zinc/85/92/38/516859238.db2.gz UTVCOVPJZIOBRY-WMLDXEAASA-N 0 3 371.441 2.725 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000525105569 516918213 /nfs/dbraw/zinc/91/82/13/516918213.db2.gz IYQRQKQRTFHKTD-NTZNESFSSA-N 0 3 355.822 2.614 20 5 FFBDHN CN(CCc1cccc([N+](=O)[O-])c1)CCc1nc2ccccc2c(=O)[nH]1 ZINC000558739222 516923208 /nfs/dbraw/zinc/92/32/08/516923208.db2.gz GUOJFTABJGRZQD-UHFFFAOYSA-N 0 3 352.394 2.961 20 5 FFBDHN CCN(CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000514635236 516973479 /nfs/dbraw/zinc/97/34/79/516973479.db2.gz NICQECAXWYXYAV-CYBMUJFWSA-N 0 3 365.430 2.821 20 5 FFBDHN CC1CCN(CCNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000525347529 517015247 /nfs/dbraw/zinc/01/52/47/517015247.db2.gz FNOWHMIHNPWVEH-UHFFFAOYSA-N 0 3 362.474 2.949 20 5 FFBDHN C[C@H]1CCCN(CCNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000525355354 517017398 /nfs/dbraw/zinc/01/73/98/517017398.db2.gz RBAYAUZYTJRZAN-INIZCTEOSA-N 0 3 362.474 2.949 20 5 FFBDHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1C(F)(F)F ZINC000537142855 517056117 /nfs/dbraw/zinc/05/61/17/517056117.db2.gz FRJGZJNIVLQBBK-ZYHUDNBSSA-N 0 3 358.320 2.522 20 5 FFBDHN COc1cc(C(=O)NCCN2[C@H](C)CCC[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000525576144 517079125 /nfs/dbraw/zinc/07/91/25/517079125.db2.gz OBQVQIGRKBLSLY-CHWSQXEVSA-N 0 3 365.430 2.605 20 5 FFBDHN Cc1sc(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)cc1[N+](=O)[O-] ZINC000552201022 517138002 /nfs/dbraw/zinc/13/80/02/517138002.db2.gz YFEUUZNZXHUTFY-CQSZACIVSA-N 0 3 361.423 2.784 20 5 FFBDHN CN(C)CCOc1cccc(-c2noc(-c3ccc([N+](=O)[O-])n3C)n2)c1 ZINC000545690305 517332852 /nfs/dbraw/zinc/33/28/52/517332852.db2.gz ULWLYFGTQHGMRK-UHFFFAOYSA-N 0 3 357.370 2.591 20 5 FFBDHN COc1ccc(NC(=O)N(CCN(C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000542030239 517347838 /nfs/dbraw/zinc/34/78/38/517347838.db2.gz RKODSHVPIYTSIR-UHFFFAOYSA-N 0 3 350.419 2.942 20 5 FFBDHN COc1ccc(NC(=O)CCN2CC[C@H](c3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000559638650 517355529 /nfs/dbraw/zinc/35/55/29/517355529.db2.gz HAFKHROVCNLYJP-HNNXBMFYSA-N 0 3 370.409 2.817 20 5 FFBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@H]1[C@H]1CCCO1 ZINC000556521442 517477317 /nfs/dbraw/zinc/47/73/17/517477317.db2.gz WVKAUKSAYNDZNK-GOEBONIOSA-N 0 3 361.398 2.536 20 5 FFBDHN CCCC[C@H](C)[C@@H](C)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000515909233 517508161 /nfs/dbraw/zinc/50/81/61/517508161.db2.gz LEFDGXAKFBDHTJ-UONOGXRCSA-N 0 3 357.476 2.678 20 5 FFBDHN CN(C)C[C@@H]1CCCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000542365431 517523652 /nfs/dbraw/zinc/52/36/52/517523652.db2.gz LRFZVPBCZJYKFD-LBPRGKRZSA-N 0 3 357.863 2.893 20 5 FFBDHN COc1ccc([C@H](C)CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000538307403 517554462 /nfs/dbraw/zinc/55/44/62/517554462.db2.gz UFTXUHHRHKLGMU-OAHLLOKOSA-N 0 3 356.426 2.924 20 5 FFBDHN CC(C)CN1CCCC[C@H]1CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000553170900 517557081 /nfs/dbraw/zinc/55/70/81/517557081.db2.gz FNIZTSWMQUHKQK-AWEZNQCLSA-N 0 3 359.430 2.588 20 5 FFBDHN CCNc1ccc(C(=O)Nc2ccnc(OCCN(C)C)c2)cc1[N+](=O)[O-] ZINC000538443027 517619824 /nfs/dbraw/zinc/61/98/24/517619824.db2.gz NZMZVUQTDNEONL-UHFFFAOYSA-N 0 3 373.413 2.614 20 5 FFBDHN CS[C@@H]1CN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1N(C)C ZINC000533928442 517673248 /nfs/dbraw/zinc/67/32/48/517673248.db2.gz QQUMIOFKPNGYRY-JKSUJKDBSA-N 0 3 373.482 2.842 20 5 FFBDHN CN(C)CCOc1cc(-c2noc(-c3cccc([N+](=O)[O-])c3)n2)ccn1 ZINC000546491988 517698463 /nfs/dbraw/zinc/69/84/63/517698463.db2.gz QBUDCVIVKFRMQW-UHFFFAOYSA-N 0 3 355.354 2.647 20 5 FFBDHN C[C@H]1CCCN(CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000546578802 517738010 /nfs/dbraw/zinc/73/80/10/517738010.db2.gz VIQPFVYITUXWNJ-ZDUSSCGKSA-N 0 3 351.422 2.860 20 5 FFBDHN CCN(C(=O)c1[nH]nc(C)c1[N+](=O)[O-])[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000521477125 517749244 /nfs/dbraw/zinc/74/92/44/517749244.db2.gz SDHYWDXZIUJTIZ-GDBMZVCRSA-N 0 3 371.441 2.924 20 5 FFBDHN CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000521477125 517749247 /nfs/dbraw/zinc/74/92/47/517749247.db2.gz SDHYWDXZIUJTIZ-GDBMZVCRSA-N 0 3 371.441 2.924 20 5 FFBDHN Cc1cccc(C(=O)N(C)CCCN(C)Cc2ccncc2)c1[N+](=O)[O-] ZINC000556934687 517756407 /nfs/dbraw/zinc/75/64/07/517756407.db2.gz SYBHGQCUXLXQRL-UHFFFAOYSA-N 0 3 356.426 2.892 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](CO)c1cccc(F)c1 ZINC000542879145 517794044 /nfs/dbraw/zinc/79/40/44/517794044.db2.gz KKGCOOFOYUDCJP-QGZVFWFLSA-N 0 3 361.373 2.694 20 5 FFBDHN CN(C)CCOc1ccccc1-c1noc(-c2cc([N+](=O)[O-])cn2C)n1 ZINC000547106574 517987547 /nfs/dbraw/zinc/98/75/47/517987547.db2.gz IZAFQWVNXXLULI-UHFFFAOYSA-N 0 3 357.370 2.591 20 5 FFBDHN CCOc1cc(NC(=O)NC[C@H]2CCCN2C)c([N+](=O)[O-])cc1OCC ZINC000517115010 518031761 /nfs/dbraw/zinc/03/17/61/518031761.db2.gz ILDUOZCSBURRSB-GFCCVEGCSA-N 0 3 366.418 2.608 20 5 FFBDHN CCCN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccc(Cl)cc1 ZINC000560968028 518102142 /nfs/dbraw/zinc/10/21/42/518102142.db2.gz ADBTUKDNICDSRF-AWEZNQCLSA-N 0 3 365.821 2.784 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2C[C@H](c3ccccc3)C2)cc1 ZINC000581305956 518221900 /nfs/dbraw/zinc/22/19/00/518221900.db2.gz FTHPPPXWTVVBQZ-WKILWMFISA-N 0 3 360.435 2.904 20 5 FFBDHN C[C@H](C(=O)N[C@@H](Cc1ccccc1)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000569778254 518283725 /nfs/dbraw/zinc/28/37/25/518283725.db2.gz DFGBIJKRRKBRHC-YJBOKZPZSA-N 0 3 355.438 2.987 20 5 FFBDHN CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000584372299 518306309 /nfs/dbraw/zinc/30/63/09/518306309.db2.gz QZGWEPVEOHDPJZ-QGZVFWFLSA-N 0 3 361.442 2.879 20 5 FFBDHN C[C@H](C(=O)NCc1ccccc1OCCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000567297526 518452337 /nfs/dbraw/zinc/45/23/37/518452337.db2.gz WCDGLGBMDBSPDO-HNNXBMFYSA-N 0 3 371.437 2.955 20 5 FFBDHN COc1ccc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000564587680 518514985 /nfs/dbraw/zinc/51/49/85/518514985.db2.gz KHYAHIVRKYJQQS-UHFFFAOYSA-N 0 3 359.382 2.730 20 5 FFBDHN CN(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1ccc(Cl)cc1 ZINC000576414765 518582377 /nfs/dbraw/zinc/58/23/77/518582377.db2.gz QDNRVXXWTGMRJE-AWEZNQCLSA-N 0 3 350.806 2.619 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1ccc(OC(F)F)cc1 ZINC000570479199 518627051 /nfs/dbraw/zinc/62/70/51/518627051.db2.gz CIAYKMNEJIKPOH-CYBMUJFWSA-N 0 3 368.336 2.726 20 5 FFBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)CN(C)Cc1ccccc1 ZINC000586773224 518636476 /nfs/dbraw/zinc/63/64/76/518636476.db2.gz JKPVVXOZEJHRPQ-LJQANCHMSA-N 0 3 357.454 2.562 20 5 FFBDHN COc1ccc([C@H](CN(C)C)NC(=O)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000586842759 518661193 /nfs/dbraw/zinc/66/11/93/518661193.db2.gz ZBKZVSXEDWBNEN-KRWDZBQOSA-N 0 3 373.409 2.645 20 5 FFBDHN CCOc1cc(N2CCN(C[C@H](O)C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000582449708 518758352 /nfs/dbraw/zinc/75/83/52/518758352.db2.gz MQNNKFDUFGYHLL-KRWDZBQOSA-N 0 3 351.447 2.523 20 5 FFBDHN CN(C[C@H]1CCCN(C)C1)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000582579893 518820791 /nfs/dbraw/zinc/82/07/91/518820791.db2.gz BJXYMDJOGMXULN-AWEZNQCLSA-N 0 3 373.457 2.602 20 5 FFBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@@H](O)COc1ccc(F)c(F)c1 ZINC000565219530 518848622 /nfs/dbraw/zinc/84/86/22/518848622.db2.gz YEEDBQMZKFESBH-PIGZYNQJSA-N 0 3 364.348 2.890 20 5 FFBDHN COCCCN(C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000565389958 518930099 /nfs/dbraw/zinc/93/00/99/518930099.db2.gz HUUVOEDERSXHCG-UHFFFAOYSA-N 0 3 364.183 2.668 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCCCC[C@@H]2C[C@H](C)O)c1 ZINC000589518595 519024210 /nfs/dbraw/zinc/02/42/10/519024210.db2.gz ZVZJQDJXLLWYLH-XJKSGUPXSA-N 0 3 350.415 2.897 20 5 FFBDHN Cc1ccc(OC[C@H](O)CNCCOc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000574312432 519094170 /nfs/dbraw/zinc/09/41/70/519094170.db2.gz JQKODEVFKBNGPL-QGZVFWFLSA-N 0 3 360.410 2.620 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NCC1(SC)CCN(C)CC1 ZINC000574489745 519178979 /nfs/dbraw/zinc/17/89/79/519178979.db2.gz QXWIVBCZCZOULG-UHFFFAOYSA-N 0 3 368.459 2.552 20 5 FFBDHN COc1ccccc1COC[C@@H](O)CNCc1cccc([N+](=O)[O-])c1C ZINC000571672252 519212865 /nfs/dbraw/zinc/21/28/65/519212865.db2.gz VLTOAVVRGRTNDW-KRWDZBQOSA-N 0 3 360.410 2.579 20 5 FFBDHN CCN1CCN(C[C@@H](C)CNc2cc(OC)c(C)cc2[N+](=O)[O-])CC1 ZINC000590574662 519271989 /nfs/dbraw/zinc/27/19/89/519271989.db2.gz PVXBGQKSCONEPW-AWEZNQCLSA-N 0 3 350.463 2.597 20 5 FFBDHN Cc1ccnc([C@@H]2CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000580656753 519288983 /nfs/dbraw/zinc/28/89/83/519288983.db2.gz FFVOGGAYXMPJKW-NVXWUHKLSA-N 0 3 357.410 2.527 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](C(C)C)[C@@H](CO)C(C)C)c1 ZINC000590659160 519305297 /nfs/dbraw/zinc/30/52/97/519305297.db2.gz AOENUISLRUEEDW-RDJZCZTQSA-N 0 3 352.431 2.760 20 5 FFBDHN CC(C)[C@@H](CO)[C@H](NCc1cc2c(cc1[N+](=O)[O-])OCCO2)C(C)C ZINC000590659173 519306528 /nfs/dbraw/zinc/30/65/28/519306528.db2.gz IOHKOYMZFFILNA-RDTXWAMCSA-N 0 3 352.431 2.745 20 5 FFBDHN CCO[C@H]1C[C@@H](NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C12CCCC2 ZINC000590739519 519342087 /nfs/dbraw/zinc/34/20/87/519342087.db2.gz WAVYGNDBHZAWAH-MSOLQXFVSA-N 0 3 373.453 2.811 20 5 FFBDHN COc1ccc(NC(=O)CCN(C)Cc2ccc(C)cn2)c([N+](=O)[O-])c1 ZINC000590754378 519351536 /nfs/dbraw/zinc/35/15/36/519351536.db2.gz CJWYLPFCLLRJBX-UHFFFAOYSA-N 0 3 358.398 2.767 20 5 FFBDHN CC1CCN(CCNc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CC1 ZINC000583659192 519362749 /nfs/dbraw/zinc/36/27/49/519362749.db2.gz IQZUTKRYDCBOGD-UHFFFAOYSA-N 0 3 366.437 2.714 20 5 FFBDHN CC1(C)CC[C@H](CN2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)O1 ZINC000591028427 519484363 /nfs/dbraw/zinc/48/43/63/519484363.db2.gz RBCHEZJDMPKLGS-OAHLLOKOSA-N 0 3 373.457 2.941 20 5 FFBDHN C[C@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCCCC1 ZINC000583903929 519492166 /nfs/dbraw/zinc/49/21/66/519492166.db2.gz SJNDFBYLEXPKFE-CQSZACIVSA-N 0 3 358.442 2.999 20 5 FFBDHN CCN(C[C@H]1CCCN1CC)C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000566552992 519547388 /nfs/dbraw/zinc/54/73/88/519547388.db2.gz CSQNHMYKLNCIPQ-CQSZACIVSA-N 0 3 365.430 2.558 20 5 FFBDHN CC(C)(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@@H](N)c1ccccc1 ZINC000591575883 519956627 /nfs/dbraw/zinc/95/66/27/519956627.db2.gz GMKHOMNSKCJVMB-KRWDZBQOSA-N 0 3 357.410 2.816 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1ccccc1N1CCCC1 ZINC000591727969 520014692 /nfs/dbraw/zinc/01/46/92/520014692.db2.gz QXBJMPSMVFNYDW-QGZVFWFLSA-N 0 3 371.437 2.725 20 5 FFBDHN CCn1ccc(CN(C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000616786233 520139529 /nfs/dbraw/zinc/13/95/29/520139529.db2.gz PQPJQQHBAFVDAB-UHFFFAOYSA-N 0 3 360.414 2.885 20 5 FFBDHN CCCN(C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCN(C)C1 ZINC000592024735 520140857 /nfs/dbraw/zinc/14/08/57/520140857.db2.gz YBHTZBVMPLNQMB-INIZCTEOSA-N 0 3 373.457 2.744 20 5 FFBDHN CN(CCN1CCN(c2ccsc2[N+](=O)[O-])CC1)Cc1ccccc1 ZINC000609150158 520210113 /nfs/dbraw/zinc/21/01/13/520210113.db2.gz RTZBZDXAPLCZSZ-UHFFFAOYSA-N 0 3 360.483 2.910 20 5 FFBDHN CN(C)CCOc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000609182154 520223398 /nfs/dbraw/zinc/22/33/98/520223398.db2.gz DVLLLHRDOWSNSD-UHFFFAOYSA-N 0 3 357.410 2.508 20 5 FFBDHN COc1ccccc1CCN(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000609194742 520225699 /nfs/dbraw/zinc/22/56/99/520225699.db2.gz HQKTVUSXASZKOL-KRWDZBQOSA-N 0 3 360.410 2.518 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCCNC(=O)c1occc1C ZINC000595019914 520258812 /nfs/dbraw/zinc/25/88/12/520258812.db2.gz SFEFWCDDXIGKBI-CYBMUJFWSA-N 0 3 361.398 2.976 20 5 FFBDHN O=C(NC[C@@H]1CCN1C1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000600470719 520279335 /nfs/dbraw/zinc/27/93/35/520279335.db2.gz ICDZZVCYILPDBF-KRWDZBQOSA-N 0 3 372.469 2.942 20 5 FFBDHN CCN1CCC(n2nccc2NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000609447626 520315370 /nfs/dbraw/zinc/31/53/70/520315370.db2.gz YKBGLWSRHYOGAO-UHFFFAOYSA-N 0 3 361.377 2.840 20 5 FFBDHN COCCNCCNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000592317702 520331982 /nfs/dbraw/zinc/33/19/82/520331982.db2.gz NHHNICAIUGOFLJ-UHFFFAOYSA-N 0 3 367.471 2.595 20 5 FFBDHN COc1cc(C(=O)N2CC[C@H](c3cccc(F)c3)[C@H](N)C2)ccc1[N+](=O)[O-] ZINC000595224842 520359360 /nfs/dbraw/zinc/35/93/60/520359360.db2.gz IEIPVCLQRDAXLT-HZPDHXFCSA-N 0 3 373.384 2.700 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCC2CCN(Cc3ccncc3)CC2)c1 ZINC000598061412 520405216 /nfs/dbraw/zinc/40/52/16/520405216.db2.gz DDQUBRIPAUHBLE-UHFFFAOYSA-N 0 3 368.437 2.940 20 5 FFBDHN CN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000609724564 520414507 /nfs/dbraw/zinc/41/45/07/520414507.db2.gz ARGNINDFBWCDGA-AWEZNQCLSA-N 0 3 367.833 2.712 20 5 FFBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(c2ccccc2)C2CCN(C)CC2)n1 ZINC000617368901 520459044 /nfs/dbraw/zinc/45/90/44/520459044.db2.gz IRYMDHBOPLGHKS-UHFFFAOYSA-N 0 3 357.414 2.552 20 5 FFBDHN C[C@H](N[C@H](CO)[C@@H](C)c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000613389173 520479231 /nfs/dbraw/zinc/47/92/31/520479231.db2.gz KDLCXKDYFPSDIQ-GRDNDAEWSA-N 0 3 357.410 2.676 20 5 FFBDHN C[C@H](N[C@H](CO)[C@@H](C)c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000613388995 520479272 /nfs/dbraw/zinc/47/92/72/520479272.db2.gz AYDMBNKEKICCSL-SUNYJGFJSA-N 0 3 357.410 2.676 20 5 FFBDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000598194744 520485027 /nfs/dbraw/zinc/48/50/27/520485027.db2.gz HKQNWLCVDRMTOC-LJQANCHMSA-N 0 3 353.422 2.984 20 5 FFBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000598261050 520525435 /nfs/dbraw/zinc/52/54/35/520525435.db2.gz DCGDYRZDIKHNNV-HNNXBMFYSA-N 0 3 371.441 2.631 20 5 FFBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000598261053 520525743 /nfs/dbraw/zinc/52/57/43/520525743.db2.gz DCGDYRZDIKHNNV-OAHLLOKOSA-N 0 3 371.441 2.631 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCN1CCC[C@H](C)C1 ZINC000604446403 520565556 /nfs/dbraw/zinc/56/55/56/520565556.db2.gz LUXNZRHNOVOPBV-STQMWFEESA-N 0 3 369.849 2.864 20 5 FFBDHN C[C@H](CCN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000613704715 520627617 /nfs/dbraw/zinc/62/76/17/520627617.db2.gz MONWOAUGUNFUPG-GFCCVEGCSA-N 0 3 371.279 2.795 20 5 FFBDHN COc1c(C(=O)NC[C@@H]2CN(C)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000592881119 520632038 /nfs/dbraw/zinc/63/20/38/520632038.db2.gz KQVSXBLMSKPBBV-WBVHZDCISA-N 0 3 369.421 2.679 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H]2CCC[C@@H]2Cc2cnn(C)c2)c1 ZINC000595772379 520712821 /nfs/dbraw/zinc/71/28/21/520712821.db2.gz RXUFNRFGTZRKDF-PBHICJAKSA-N 0 3 372.425 2.616 20 5 FFBDHN CC[C@@H]1COC(C)(C)CN1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000593056274 520713469 /nfs/dbraw/zinc/71/34/69/520713469.db2.gz DQHFURNIMLMQNV-CYBMUJFWSA-N 0 3 365.430 2.821 20 5 FFBDHN COC(=O)c1ccnc(NCC(C)(C)N2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000598591715 520732367 /nfs/dbraw/zinc/73/23/67/520732367.db2.gz AJHQYLBQJIMHGE-LBPRGKRZSA-N 0 3 350.419 2.699 20 5 FFBDHN O=C(Nc1ccc(CN2CCC(O)CC2)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000601391506 520770470 /nfs/dbraw/zinc/77/04/70/520770470.db2.gz RMSORGNAVRSCQG-UHFFFAOYSA-N 0 3 373.384 2.943 20 5 FFBDHN Cc1c(C(=O)N2CC[C@@H](OCCN3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000610733127 520820325 /nfs/dbraw/zinc/82/03/25/520820325.db2.gz AXFIGCSAVZFGNW-MRXNPFEDSA-N 0 3 361.442 2.620 20 5 FFBDHN Cc1ccc(C(=O)N2CC[C@H](OCCN3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000610733159 520820560 /nfs/dbraw/zinc/82/05/60/520820560.db2.gz WUMVHNAXBQNVPO-KRWDZBQOSA-N 0 3 361.442 2.620 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)c1 ZINC000610761804 520833721 /nfs/dbraw/zinc/83/37/21/520833721.db2.gz DAHKIJFIAZVFLV-CQSZACIVSA-N 0 3 355.394 2.873 20 5 FFBDHN CCCN(CCn1c(C)ncc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000610782878 520841362 /nfs/dbraw/zinc/84/13/62/520841362.db2.gz LENAXISBHUOYJS-HNNXBMFYSA-N 0 3 360.414 2.652 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CN[C@H]1CCO[C@]3(CCSC3)C1)OCCO2 ZINC000610890041 520894637 /nfs/dbraw/zinc/89/46/37/520894637.db2.gz UYMJCDOUVDRAAB-SUMWQHHRSA-N 0 3 366.439 2.510 20 5 FFBDHN COCCN1CCC(Nc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596090836 520906027 /nfs/dbraw/zinc/90/60/27/520906027.db2.gz XBBQRSQPTXINHZ-UHFFFAOYSA-N 0 3 358.236 2.880 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC3(CCCC3)OC[C@@H]2CN(C)C)c1 ZINC000598892798 520906962 /nfs/dbraw/zinc/90/69/62/520906962.db2.gz KUMOGWPBBCLHAJ-HNNXBMFYSA-N 0 3 361.442 2.619 20 5 FFBDHN COC(=O)c1c(Cl)c(Nc2cnn(CCN(C)C)c2)ccc1[N+](=O)[O-] ZINC000596097447 520909080 /nfs/dbraw/zinc/90/90/80/520909080.db2.gz OIKKNWMAWHRJMO-UHFFFAOYSA-N 0 3 367.793 2.537 20 5 FFBDHN COC(=O)c1c(Cl)c(NC[C@@]2(N(C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000596150010 520940259 /nfs/dbraw/zinc/94/02/59/520940259.db2.gz TYHINOZPAOQTDZ-HNNXBMFYSA-N 0 3 373.862 2.884 20 5 FFBDHN COC(=O)c1c(Cl)c(N(C)[C@@H]2CCN(C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596150992 520940838 /nfs/dbraw/zinc/94/08/38/520940838.db2.gz GWDIBOVKSOTSEH-WDEREUQCSA-N 0 3 355.822 2.811 20 5 FFBDHN COc1cc(NC2CCN([C@@H]3CCOC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596167574 520949047 /nfs/dbraw/zinc/94/90/47/520949047.db2.gz LONGCRXXILBPMW-GFCCVEGCSA-N 0 3 355.822 2.922 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CCOC[C@H]3O)o2)c(Cl)c1 ZINC000599011543 520979188 /nfs/dbraw/zinc/97/91/88/520979188.db2.gz KSWVKWZXYOEJFO-HUUCEWRRSA-N 0 3 352.774 2.748 20 5 FFBDHN Cn1ccnc1C(=O)c1ccc(N[C@H]2CCN(C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596336666 521034091 /nfs/dbraw/zinc/03/40/91/521034091.db2.gz RLARMFKACDGFEP-AWEZNQCLSA-N 0 3 371.441 2.844 20 5 FFBDHN O=C(CCNCc1cccc2c1CCOC2)Nc1ccccc1[N+](=O)[O-] ZINC000601969398 521046080 /nfs/dbraw/zinc/04/60/80/521046080.db2.gz QQVRGXXZNSJRST-UHFFFAOYSA-N 0 3 355.394 2.786 20 5 FFBDHN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NC[C@H]1CCN1C1CCCC1 ZINC000599164081 521066671 /nfs/dbraw/zinc/06/66/71/521066671.db2.gz JJINESOOVLGVFW-GOSISDBHSA-N 0 3 374.485 2.856 20 5 FFBDHN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@@H](N2CCCC2)C1 ZINC000599283795 521127869 /nfs/dbraw/zinc/12/78/69/521127869.db2.gz DPKPIJSMJAMAOK-LLVKDONJSA-N 0 3 368.231 2.668 20 5 FFBDHN O=[N+]([O-])c1ccc(OC2CCN(CCOC3CCOCC3)CC2)cc1 ZINC000599302253 521138970 /nfs/dbraw/zinc/13/89/70/521138970.db2.gz CAIWQAWKQIOHIK-UHFFFAOYSA-N 0 3 350.415 2.634 20 5 FFBDHN CCN(C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCN(CC)C1 ZINC000596600812 521158592 /nfs/dbraw/zinc/15/85/92/521158592.db2.gz LGKLWIJRFNJEJU-INIZCTEOSA-N 0 3 373.457 2.744 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](OC(F)F)C1 ZINC000611579337 521231635 /nfs/dbraw/zinc/23/16/35/521231635.db2.gz VLTRMUIDJJTFAF-LBPRGKRZSA-N 0 3 373.356 2.636 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@H]1NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602568319 521415341 /nfs/dbraw/zinc/41/53/41/521415341.db2.gz JPKZCOGVYAIJRH-PRHODGIISA-N 0 3 360.277 2.991 20 5 FFBDHN O=C1C[C@H](CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CN1C1CC1 ZINC000602711700 521491374 /nfs/dbraw/zinc/49/13/74/521491374.db2.gz JLFGGADUFKUMRR-SNVBAGLBSA-N 0 3 357.332 2.714 20 5 FFBDHN CCN(C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)[C@H]1CCN(CC)C1 ZINC000597092073 521497682 /nfs/dbraw/zinc/49/76/82/521497682.db2.gz JMLBJKNAVDKJDU-NSHDSACASA-N 0 3 355.826 2.778 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000602797071 521538478 /nfs/dbraw/zinc/53/84/78/521538478.db2.gz LNFLDKNCFRWEDB-INIZCTEOSA-N 0 3 360.389 2.976 20 5 FFBDHN COC(=O)COc1ccc(CN2CC[C@H](c3ccco3)C2)cc1[N+](=O)[O-] ZINC000616136118 521628644 /nfs/dbraw/zinc/62/86/44/521628644.db2.gz XJZBLUFZEHBVHY-AWEZNQCLSA-N 0 3 360.366 2.729 20 5 FFBDHN Cc1cc(OCC(=O)N2CCC[C@@H]2CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000619536560 521758156 /nfs/dbraw/zinc/75/81/56/521758156.db2.gz YDKQELZYVQDINL-MRXNPFEDSA-N 0 3 361.442 2.759 20 5 FFBDHN CN(C)C1(CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CCCCCC1 ZINC000619570252 521772220 /nfs/dbraw/zinc/77/22/20/521772220.db2.gz BBKJGDATBSDEMI-UHFFFAOYSA-N 0 3 359.430 2.732 20 5 FFBDHN C[C@@H]([NH2+]CCOc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000820420467 606619128 /nfs/dbraw/zinc/61/91/28/606619128.db2.gz RJQQTYHJVBPQDC-GFCCVEGCSA-N 0 3 354.370 2.505 20 5 FFBDHN O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823648386 606999702 /nfs/dbraw/zinc/99/97/02/606999702.db2.gz VWTUPODHPYBCJE-QGZVFWFLSA-N 0 3 364.409 2.886 20 5 FFBDHN O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823648386 606999704 /nfs/dbraw/zinc/99/97/04/606999704.db2.gz VWTUPODHPYBCJE-QGZVFWFLSA-N 0 3 364.409 2.886 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826293311 608280106 /nfs/dbraw/zinc/28/01/06/608280106.db2.gz KSLBGLVSGMKNJH-ZDUSSCGKSA-N 0 3 368.397 2.813 20 5 FFBDHN C[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824594209 608492414 /nfs/dbraw/zinc/49/24/14/608492414.db2.gz YGAMYUFDZUYGDN-CYBMUJFWSA-N 0 3 368.397 2.895 20 5 FFBDHN C[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824594209 608492415 /nfs/dbraw/zinc/49/24/15/608492415.db2.gz YGAMYUFDZUYGDN-CYBMUJFWSA-N 0 3 368.397 2.895 20 5 FFBDHN O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1cccc([N+](=O)[O-])c1Cl ZINC000859356300 730451678 /nfs/dbraw/zinc/45/16/78/730451678.db2.gz NPFIXYYDMJUHRU-ZDUSSCGKSA-N 0 3 367.833 2.621 20 5 FFBDHN CN(CCCN(C)c1cc(F)c([N+](=O)[O-])cc1CO)Cc1ccco1 ZINC000865804416 730999332 /nfs/dbraw/zinc/99/93/32/730999332.db2.gz XWEWVNTWTZMPPL-UHFFFAOYSA-N 0 3 351.378 2.778 20 5 FFBDHN CN1CCN(C2CCN(c3ccc(C(F)F)cc3[N+](=O)[O-])CC2)CC1 ZINC000866212841 731041206 /nfs/dbraw/zinc/04/12/06/731041206.db2.gz JKPTYMAQEIZNNR-UHFFFAOYSA-N 0 3 354.401 2.749 20 5 FFBDHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NCCS(=O)(=O)c1ccccc1 ZINC000866241759 731043171 /nfs/dbraw/zinc/04/31/71/731043171.db2.gz GMNUMHCHLVISAF-CYBMUJFWSA-N 0 3 366.414 2.728 20 5 FFBDHN O=[N+]([O-])c1ccc(Cl)c(CNCC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1 ZINC000873171119 731884188 /nfs/dbraw/zinc/88/41/88/731884188.db2.gz DQVALTOBYNBDLK-FTNCPSPGSA-N 0 3 358.847 2.694 20 5 FFBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2Cc3ccccc3CN2)c1 ZINC000877346275 732347280 /nfs/dbraw/zinc/34/72/80/732347280.db2.gz QOUTUZDQRSWPSH-AWEZNQCLSA-N 0 3 357.435 2.761 20 5 FFBDHN O=C1OCC[C@@H]1CCCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000877805276 732437438 /nfs/dbraw/zinc/43/74/38/732437438.db2.gz ASLZMCZQFBHHEO-QMMMGPOBSA-N 0 3 363.233 2.852 20 5 FFBDHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(C(F)(F)F)nc1 ZINC000880103287 732845780 /nfs/dbraw/zinc/84/57/80/732845780.db2.gz OAAJWRZBQIBJTB-JTQLQIEISA-N 0 3 356.304 2.521 20 5 FFBDHN COC(=O)[C@H]1CC[C@H](NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000886651994 733812991 /nfs/dbraw/zinc/81/29/91/733812991.db2.gz WPYIJRXKAQZDBZ-CABZTGNLSA-N 0 3 357.204 2.789 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1CC[C@@]2(CO[C@@H](C)C2)O1 ZINC000886768944 733829485 /nfs/dbraw/zinc/82/94/85/733829485.db2.gz LUDFCKACIPBJKB-BWQRHGBYSA-N 0 3 350.415 2.981 20 5 FFBDHN C[C@@H]1CCCN1CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000783920097 738849249 /nfs/dbraw/zinc/84/92/49/738849249.db2.gz ZBRLDRPWGNUMKK-SNVBAGLBSA-N 0 3 356.220 2.571 20 5 FFBDHN CS[C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000758790060 736521259 /nfs/dbraw/zinc/52/12/59/736521259.db2.gz FVIFAYDQCBUTDZ-CABCVRRESA-N 0 3 369.874 2.900 20 5 FFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)C[C@H]1C ZINC000778009118 738342020 /nfs/dbraw/zinc/34/20/20/738342020.db2.gz KTLWDFOOYKDJJA-OLZOCXBDSA-N 0 3 373.450 2.536 20 5 FFBDHN C[C@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)N1CCC(C)CC1 ZINC000778250251 738366897 /nfs/dbraw/zinc/36/68/97/738366897.db2.gz XTLSAYHIOKFIGF-CYBMUJFWSA-N 0 3 355.385 2.923 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000788661622 739269848 /nfs/dbraw/zinc/26/98/48/739269848.db2.gz QVCWWYJUKLNAHF-UHFFFAOYSA-N 0 3 350.396 2.733 20 5 FFBDHN Cc1c(OS(=O)(=O)c2ccc(CN(C)C)cc2)cccc1[N+](=O)[O-] ZINC000790013157 739406047 /nfs/dbraw/zinc/40/60/47/739406047.db2.gz QFZWSQCVPVJUCQ-UHFFFAOYSA-N 0 3 350.396 2.733 20 5 FFBDHN C[C@H](CC[NH+](C)C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791420807 739561919 /nfs/dbraw/zinc/56/19/19/739561919.db2.gz CHHZROLKNCRRIR-MRVPVSSYSA-N 0 3 370.258 2.520 20 5 FFBDHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cc(Cl)cc2c1OCC2 ZINC000933271295 739592638 /nfs/dbraw/zinc/59/26/38/739592638.db2.gz JZUSZIAAVHNYBR-LLVKDONJSA-N 0 3 363.801 2.696 20 5 FFBDHN CSc1ccc(CN[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000798227744 740314453 /nfs/dbraw/zinc/31/44/53/740314453.db2.gz SPJHHYNLHVSAEC-UKRRQHHQSA-N 0 3 354.453 2.562 20 5 FFBDHN CCCN(CCN1CCCC1)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000804441234 740874530 /nfs/dbraw/zinc/87/45/30/740874530.db2.gz GEAHGHAZUJMXGQ-UHFFFAOYSA-N 0 3 363.443 2.548 20 5 FFBDHN CC(COC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1)[N+](=O)[O-] ZINC000813102184 741676895 /nfs/dbraw/zinc/67/68/95/741676895.db2.gz OSYYMZOZFUOOAG-MNOVXSKESA-N 0 3 361.320 2.525 20 5 FFBDHN O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000820826804 742555901 /nfs/dbraw/zinc/55/59/01/742555901.db2.gz ICEVQAPOZOOBRQ-CYBMUJFWSA-N 0 3 368.821 2.623 20 5 FFBDHN Cc1ccc([C@H](C)NCCn2cnc(Br)n2)cc1[N+](=O)[O-] ZINC000821401558 742621551 /nfs/dbraw/zinc/62/15/51/742621551.db2.gz FWJYLAJHQZRAAB-JTQLQIEISA-N 0 3 354.208 2.608 20 5 FFBDHN CC[C@@](C)(CC(=O)OC)NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839522913 746846412 /nfs/dbraw/zinc/84/64/12/746846412.db2.gz YBSMTTZOFXAZAK-HNNXBMFYSA-N 0 3 357.794 2.508 20 5 FFBDHN CCN1C[C@@H](C)N(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000839532336 746848497 /nfs/dbraw/zinc/84/84/97/746848497.db2.gz WQEYIRSHFRGJFY-NWDGAFQWSA-N 0 3 354.838 2.601 20 5 FFBDHN CCN1C[C@H](C)N(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000839532334 746848659 /nfs/dbraw/zinc/84/86/59/746848659.db2.gz WQEYIRSHFRGJFY-NEPJUHHUSA-N 0 3 354.838 2.601 20 5 FFBDHN CC([C@H](OC(=O)CCOC[C@@H]1CCCO1)c1ccccc1F)[N+](=O)[O-] ZINC000845872909 748340486 /nfs/dbraw/zinc/34/04/86/748340486.db2.gz ACHPUYXUDIPCEV-IGCXYCKISA-N 0 3 355.362 2.661 20 5 FFBDHN CC(COC(=O)c1cc(Br)cc(N2CCCC2)c1)[N+](=O)[O-] ZINC000851037663 749491027 /nfs/dbraw/zinc/49/10/27/749491027.db2.gz ZCMZTYJFONKUOX-SNVBAGLBSA-N 0 3 357.204 2.871 20 5 FFBDHN CCCN(CCN(C)C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000041678260 845076362 /nfs/dbraw/zinc/07/63/62/845076362.db2.gz FWYHBVKDJOZRIG-UHFFFAOYSA-N 0 3 358.236 2.771 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCc1ccc(N2CCN(C)CC2)nc1 ZINC000873010594 1013346663 /nfs/dbraw/zinc/34/66/63/1013346663.db2.gz MENQBEJUQLXJPH-UHFFFAOYSA-N 0 3 369.469 2.648 20 5 FFBDHN CCCn1ccnc1CCCN(C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894478464 965404900 /nfs/dbraw/zinc/40/49/00/965404900.db2.gz BCXIQEQAEUQJMW-UHFFFAOYSA-N 0 3 362.430 2.980 20 5 FFBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000874846339 1013917251 /nfs/dbraw/zinc/91/72/51/1013917251.db2.gz IRBPBBSGYZUSKX-ROUUACIJSA-N 0 3 358.442 2.504 20 5 FFBDHN O=[N+]([O-])c1ccc(F)c(Br)c1O[C@@H]1CNCCC1(F)F ZINC001218453743 970218362 /nfs/dbraw/zinc/21/83/62/970218362.db2.gz LIBQAUUUKFXBGF-MRVPVSSYSA-N 0 3 355.110 2.872 20 5 FFBDHN O=[N+]([O-])c1cnc2ccc(F)cc2c1N1CCN(C2CCOCC2)CC1 ZINC000892783731 970288571 /nfs/dbraw/zinc/28/85/71/970288571.db2.gz CGNWWWVYKIMDAU-UHFFFAOYSA-N 0 3 360.389 2.583 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2cnn(CN3CCN(C4CCCC4)CC3)c2)cc1 ZINC000103457711 970403194 /nfs/dbraw/zinc/40/31/94/970403194.db2.gz LVJRWDVSQJSKJS-UHFFFAOYSA-N 0 3 355.442 2.976 20 5 FFBDHN CCN1CCN(c2cccc(NC3CC(n4cc([N+](=O)[O-])cn4)C3)c2)CC1 ZINC000877402583 1014573424 /nfs/dbraw/zinc/57/34/24/1014573424.db2.gz FQEVJBWZWBABRI-UHFFFAOYSA-N 0 3 370.457 2.749 20 5 FFBDHN CC(C)(C)OC(=O)NC[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000170647470 985103713 /nfs/dbraw/zinc/10/37/13/985103713.db2.gz UNNQNMXZGLZCKG-CQSZACIVSA-N 0 3 365.430 2.820 20 5 FFBDHN COc1cc(CNC[C@@]2(c3ccccc3)C[C@@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000922531253 988675120 /nfs/dbraw/zinc/67/51/20/988675120.db2.gz SZSSOZGGIULZMV-UKIBZPOASA-N 0 3 372.421 2.794 20 5 FFBDHN COc1cc(CN[C@H](CO)CCc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000922544183 988687837 /nfs/dbraw/zinc/68/78/37/988687837.db2.gz KUHPTXUIBRMONB-INIZCTEOSA-N 0 3 360.410 2.695 20 5 FFBDHN COc1cccc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000194368627 989220071 /nfs/dbraw/zinc/22/00/71/989220071.db2.gz YNQZFGNMJRVDTI-MRXNPFEDSA-N 0 3 369.421 2.998 20 5 FFBDHN CC(COC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1)[N+](=O)[O-] ZINC000813115724 995626764 /nfs/dbraw/zinc/62/67/64/995626764.db2.gz YSDQBJMATQWIEV-BXUZGUMPSA-N 0 3 370.377 2.642 20 5 FFBDHN Cc1ccc([C@H](C)N[C@@H](C)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1[N+](=O)[O-] ZINC000813330186 995666322 /nfs/dbraw/zinc/66/63/22/995666322.db2.gz UMGOASWIBJZVPR-RYUDHWBXSA-N 0 3 368.393 2.845 20 5 FFBDHN COc1cc2c(cc1CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1)O[C@@H](C)C2 ZINC000731678718 998145734 /nfs/dbraw/zinc/14/57/34/998145734.db2.gz ONTXIOMBXRQUCY-YVEFUNNKSA-N 0 3 358.394 2.750 20 5 FFBDHN CC([C@@H](OC(=O)[C@@H]1CCc2cnn(C)c2C1)c1ccccc1F)[N+](=O)[O-] ZINC000845876292 998676904 /nfs/dbraw/zinc/67/69/04/998676904.db2.gz BTPYXEPSUIWVLD-PSTGCABASA-N 0 3 361.373 2.614 20 5 FFBDHN C[C@@]1(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CCN(Cc2ccccc2)C1 ZINC000846593790 1000382441 /nfs/dbraw/zinc/38/24/41/1000382441.db2.gz SOBXUOHAEKWUDW-LJQANCHMSA-N 0 3 372.400 2.711 20 5 FFBDHN CCOC(=O)C1(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCCC1 ZINC000792196517 1002940753 /nfs/dbraw/zinc/94/07/53/1002940753.db2.gz UZFHFHAJBIWMHF-UHFFFAOYSA-N 0 3 364.398 2.579 20 5 FFBDHN COc1ccc(C[C@H](C)N2CCC[C@@]3(CCCC(=O)N3)C2)c([N+](=O)[O-])c1 ZINC001170341085 1003129368 /nfs/dbraw/zinc/12/93/68/1003129368.db2.gz NEEDQVBKEIKCFU-LIRRHRJNSA-N 0 3 361.442 2.669 20 5 FFBDHN CCc1nn(C)c(Nc2ccc(N3CCN(CC)CC3)cc2)c1[N+](=O)[O-] ZINC000807917601 1004718577 /nfs/dbraw/zinc/71/85/77/1004718577.db2.gz HFBQWPTUZCTPMD-UHFFFAOYSA-N 0 3 358.446 2.776 20 5 FFBDHN CCC[C@H](C)NC(=O)[C@H]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776580512 1005961238 /nfs/dbraw/zinc/96/12/38/1005961238.db2.gz VYLMDUQXSLRZSW-QILLFSRXSA-N 0 3 363.458 2.645 20 5 FFBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(OC[C@H]3CCCCO3)CC2)cc1 ZINC000776590412 1005993294 /nfs/dbraw/zinc/99/32/94/1005993294.db2.gz DIGVSIARGQGNFL-RTBURBONSA-N 0 3 364.442 2.678 20 5 FFBDHN CC(C)(C)CCN1CCN(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CC1 ZINC000853492085 1006410360 /nfs/dbraw/zinc/41/03/60/1006410360.db2.gz XYEVTUPLFJPXRM-UHFFFAOYSA-N 0 3 372.473 2.865 20 5 FFBDHN C[C@H](NCc1ccc(Cn2cncn2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815556824 1006682329 /nfs/dbraw/zinc/68/23/29/1006682329.db2.gz GAZPKKMIHPPHLV-ZDUSSCGKSA-N 0 3 352.398 2.668 20 5 FFBDHN CC(C)(C)N1CC[C@H]1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000855165251 1007148496 /nfs/dbraw/zinc/14/84/96/1007148496.db2.gz SLRGBDJENJIFSB-NSHDSACASA-N 0 3 357.813 2.919 20 5 FFBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000855899892 1007631174 /nfs/dbraw/zinc/63/11/74/1007631174.db2.gz WZZRKUCAYHXHBG-ZDUSSCGKSA-N 0 3 366.437 2.650 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000137441247 1008610123 /nfs/dbraw/zinc/61/01/23/1008610123.db2.gz ACLZBQHOAQMMQK-BBRMVZONSA-N 0 3 354.410 2.570 20 5 FFBDHN CC[C@@H](CC(F)(F)F)NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC001178430960 1008969710 /nfs/dbraw/zinc/96/97/10/1008969710.db2.gz NBFCTGYNAXNYJR-NSHDSACASA-N 0 3 364.320 2.967 20 5 FFBDHN C[C@H](NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC000823961485 1009281787 /nfs/dbraw/zinc/28/17/87/1009281787.db2.gz FTHRGXAKNAXKCE-YVEFUNNKSA-N 0 3 357.414 2.990 20 5 FFBDHN CC(C)[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000794604652 1010437558 /nfs/dbraw/zinc/43/75/58/1010437558.db2.gz MPHUJTGABIMHET-ZWKOTPCHSA-N 0 3 357.410 2.542 20 5 FFBDHN CN1CCn2nc(NCc3csc(-c4cccc([N+](=O)[O-])c4)n3)cc2C1 ZINC000865844209 1010872531 /nfs/dbraw/zinc/87/25/31/1010872531.db2.gz DRUJKMMOKACNPI-UHFFFAOYSA-N 0 3 370.438 2.972 20 5 FFBDHN CN(CCN1CC2(C1)CCOCC2)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000866257033 1010963961 /nfs/dbraw/zinc/96/39/61/1010963961.db2.gz VSTIIPIWOFIKDC-UHFFFAOYSA-N 0 3 371.384 2.745 20 5 FFBDHN COC(=O)c1cccnc1CN[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172911221 1012123106 /nfs/dbraw/zinc/12/31/06/1012123106.db2.gz HSERHIIZAOCMTG-HNNXBMFYSA-N 0 3 355.394 2.814 20 5 FFBDHN CCOC(=O)[C@@H]1CN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCS1 ZINC001172911622 1012125532 /nfs/dbraw/zinc/12/55/32/1012125532.db2.gz DBFRKMKXRPOFFE-WBVHZDCISA-N 0 3 364.467 2.823 20 5 FFBDHN C[C@@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)OC(C)(C)C ZINC000828917138 1032904553 /nfs/dbraw/zinc/90/45/53/1032904553.db2.gz DOOLIINGPWUFHC-XOKHGSTOSA-N 0 3 364.442 2.928 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934836650 1021421845 /nfs/dbraw/zinc/42/18/45/1021421845.db2.gz DVHAJHVNDJPWSD-CVEARBPZSA-N 0 3 361.442 2.980 20 5 FFBDHN CCN1CCCC[C@H]1CNc1c(C(=O)OC)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000750171472 1021466567 /nfs/dbraw/zinc/46/65/67/1021466567.db2.gz KTDXEWYUAQPKRX-NSHDSACASA-N 0 3 366.374 2.576 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H](CO)CC1CCOCC1 ZINC001118488876 1022259592 /nfs/dbraw/zinc/25/95/92/1022259592.db2.gz APKJZDNVGURFMH-HIFRSBDPSA-N 0 3 352.431 2.679 20 5 FFBDHN COc1cc(O[C@H]2CC[NH2+]C[C@H]2C)c2c(c1)oc1c([O-])ccc(O)c1c2=O ZINC001218419090 1033148928 /nfs/dbraw/zinc/14/89/28/1033148928.db2.gz KHXXPAHRMVVQCI-YGRLFVJLSA-N 0 3 371.389 2.743 20 5 FFBDHN O=C1[C@@H](NCCc2ccc([N+](=O)[O-])cc2)CCN1c1c(F)cccc1F ZINC000755984802 1023656210 /nfs/dbraw/zinc/65/62/10/1023656210.db2.gz KVJUAUPJTFERRW-INIZCTEOSA-N 0 3 361.348 2.811 20 5 FFBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@H]32)n1 ZINC000756624641 1023736846 /nfs/dbraw/zinc/73/68/46/1023736846.db2.gz BMSIWOMFRRLRQT-GOEBONIOSA-N 0 3 369.425 2.568 20 5 FFBDHN CC[C@H](C)N1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2Cc2ccccc2)CC1 ZINC001122074069 1024319414 /nfs/dbraw/zinc/31/94/14/1024319414.db2.gz XWXOIICKMUSYAS-JKSUJKDBSA-N 0 3 372.473 2.585 20 5 FFBDHN CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000080501481 1024636648 /nfs/dbraw/zinc/63/66/48/1024636648.db2.gz CEZDQMXPTCGUND-KRWDZBQOSA-N 0 3 368.437 2.914 20 5 FFBDHN O=[N+]([O-])c1ccc(CNC2(CO)C3CC4CC(C3)CC2C4)c([N+](=O)[O-])c1 ZINC000839650401 1026774563 /nfs/dbraw/zinc/77/45/63/1026774563.db2.gz ROFNXPIKUGAPDV-UHFFFAOYSA-N 0 3 361.398 2.780 20 5 FFBDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001153484383 1027903511 /nfs/dbraw/zinc/90/35/11/1027903511.db2.gz ZITZDZQPBGBCOL-PHIMTYICSA-N 0 3 370.247 2.846 20 5 FFBDHN Cc1cc(NCCCN2CCN(C)CC2)c([N+](=O)[O-])cc1Br ZINC001161711247 1028290511 /nfs/dbraw/zinc/29/05/11/1028290511.db2.gz YRHFIJHFEYMMRC-UHFFFAOYSA-N 0 3 371.279 2.715 20 5 FFBDHN CCOC(=O)c1cc([N+](=O)[O-])cnc1-n1c2ccccc2nc1[C@H](C)N ZINC001155254419 1028645972 /nfs/dbraw/zinc/64/59/72/1028645972.db2.gz KGKAHTORWYNLHS-JTQLQIEISA-N 0 3 355.354 2.525 20 5 FFBDHN CN1CCC(N(Cc2ccc(F)cc2)c2ncc([N+](=O)[O-])cc2N)CC1 ZINC001158449159 1029831589 /nfs/dbraw/zinc/83/15/89/1029831589.db2.gz UILDZNCZRDQDPI-UHFFFAOYSA-N 0 3 359.405 2.812 20 5 FFBDHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000831237300 1034004887 /nfs/dbraw/zinc/00/48/87/1034004887.db2.gz PRZXQNXLJDPFID-AVVWSFFYSA-N 0 3 365.430 2.616 20 5 FFBDHN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1C(N)=O ZINC001226165518 1034554482 /nfs/dbraw/zinc/55/44/82/1034554482.db2.gz LLWMESBQOZWIPA-KUHUBIRLSA-N 0 3 369.421 2.983 20 5 FFBDHN Cc1cc2[nH]c(O[C@H]3CC[C@H](N4CCOCC4)CC3)nc2cc1[N+](=O)[O-] ZINC001228675336 1036248272 /nfs/dbraw/zinc/24/82/72/1036248272.db2.gz PNEUSFZCRDYJPL-HDJSIYSDSA-N 0 3 360.414 2.802 20 5 FFBDHN CCCC(=O)Nc1c(OC2CCN(CCOC)CC2)cccc1[N+](=O)[O-] ZINC001231361800 1037548232 /nfs/dbraw/zinc/54/82/32/1037548232.db2.gz JMENKKAILJBFTM-UHFFFAOYSA-N 0 3 365.430 2.823 20 5 FFBDHN COc1ncc(Nc2ccc(N3CCN(C)CC3)cc2C)cc1[N+](=O)[O-] ZINC001210138386 1039402314 /nfs/dbraw/zinc/40/23/14/1039402314.db2.gz KMADFWVLCSGASF-UHFFFAOYSA-N 0 3 357.414 2.802 20 5 FFBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC(NC(=O)c2cccnc2)CC1 ZINC001254567286 1040806587 /nfs/dbraw/zinc/80/65/87/1040806587.db2.gz AFHGBEJVTJDMTC-OAHLLOKOSA-N 0 3 368.437 2.815 20 5 FFBDHN COC(=O)C[C@@H](N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccc(O)c1 ZINC001254580503 1040812019 /nfs/dbraw/zinc/81/20/19/1040812019.db2.gz FYUOXLLOTLYTMX-MAUKXSAKSA-N 0 3 356.378 2.662 20 5 FFBDHN O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1ccc2c(c1)OCCNC2 ZINC001263167405 1042145223 /nfs/dbraw/zinc/14/52/23/1042145223.db2.gz JOIZDZPQGFLOOT-UHFFFAOYSA-N 0 3 359.357 2.787 20 5 FFBDHN O=[N+]([O-])c1c(F)cc(-c2nc(-c3ccc4c(n3)CCNC4)no2)cc1F ZINC001216913118 1042161613 /nfs/dbraw/zinc/16/16/13/1042161613.db2.gz WVAOGMNSXSLSLJ-UHFFFAOYSA-N 0 3 359.292 2.631 20 5 FFBDHN C[C@H](CNC(=O)N1CCN(C2CCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC001313351265 1044325415 /nfs/dbraw/zinc/32/54/15/1044325415.db2.gz HKMVTTRKKYQEQQ-OAHLLOKOSA-N 0 3 360.458 2.968 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(NCc2cccc(CN3CCN(C)CC3)c2)n1 ZINC001333424333 1048896771 /nfs/dbraw/zinc/89/67/71/1048896771.db2.gz RUMUNNCTENAEIW-UHFFFAOYSA-N 0 3 355.442 2.658 20 5 FFBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCN1CCC(CO)CC1 ZINC001330699104 1049281020 /nfs/dbraw/zinc/28/10/20/1049281020.db2.gz ZKVNSISCANXWLU-CYBMUJFWSA-N 0 3 353.488 2.672 20 5 FFBDHN CC(C)(NC(=O)c1ccc2c(c1)OCCNC2)c1ccc([N+](=O)[O-])cc1 ZINC001341503914 1050144012 /nfs/dbraw/zinc/14/40/12/1050144012.db2.gz VFSNAGYJMNGPLB-UHFFFAOYSA-N 0 3 355.394 2.742 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1OC(=O)C1CCN(Cc2ccccc2)C1=O ZINC001341922912 1050520378 /nfs/dbraw/zinc/52/03/78/1050520378.db2.gz GYSMTQRSPKNKBB-OAHLLOKOSA-N 0 3 370.361 2.558 20 5 FFBDHN COc1cc(CNC[C@H](O)Cc2cccc(Cl)c2)c([N+](=O)[O-])cc1O ZINC001308510849 1052463307 /nfs/dbraw/zinc/46/33/07/1052463307.db2.gz YJLZIQQEKZBQMG-CQSZACIVSA-N 0 3 366.801 2.656 20 5 FFBDHN O=C(CNCCc1ccc([N+](=O)[O-])cc1)Nc1cccc2cccnc21 ZINC001308920718 1052519313 /nfs/dbraw/zinc/51/93/13/1052519313.db2.gz ATOOEYRPCGANTJ-UHFFFAOYSA-N 0 3 350.378 2.914 20 5 FFBDHN O=C(NC[C@@H]1NCCc2ccccc21)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001348563525 1054794159 /nfs/dbraw/zinc/79/41/59/1054794159.db2.gz VQPSICZFUYYZHJ-SFHVURJKSA-N 0 3 352.394 2.507 20 5 FFBDHN O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCNC2(CCCCC2)C1 ZINC000848942000 1055410404 /nfs/dbraw/zinc/41/04/04/1055410404.db2.gz REWQPTAHEVDQFD-UHFFFAOYSA-N 0 3 372.469 2.943 20 5 FFBDHN O=[N+]([O-])c1ccc(C(F)(F)F)cc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001356499996 1055538764 /nfs/dbraw/zinc/53/87/64/1055538764.db2.gz XQBKMAHWHMYPIR-LBPRGKRZSA-N 0 3 359.348 2.772 20 5 FFBDHN COc1ccc(CC[NH2+]Cc2cc(OC)c([O-])cc2[N+](=O)[O-])cc1F ZINC001200088620 1055656596 /nfs/dbraw/zinc/65/65/96/1055656596.db2.gz LTLPHRDNRXGJBW-UHFFFAOYSA-N 0 3 350.346 2.789 20 5 FFBDHN O=C(NC[C@@H]1Cc2ccccc2CN1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001354571194 1059181977 /nfs/dbraw/zinc/18/19/77/1059181977.db2.gz UVBYSZVNDHVDPK-WDSOQIARSA-N 0 3 351.406 2.529 20 5 FFBDHN O=[N+]([O-])c1cnn(CCNCc2cc(Cl)cc(Br)c2)c1 ZINC001461313939 1061287060 /nfs/dbraw/zinc/28/70/60/1061287060.db2.gz PHFOSWGNJGNHSU-UHFFFAOYSA-N 0 3 359.611 2.997 20 5 FFBDHN CCN(CC)[C@H](C)CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1C ZINC001463645085 1062196870 /nfs/dbraw/zinc/19/68/70/1062196870.db2.gz XWJURRAVUWTNMP-LLVKDONJSA-N 0 3 363.867 2.565 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CN[C@@H](CO)[C@H]2CCOC2)o1 ZINC001474094918 1065455074 /nfs/dbraw/zinc/45/50/74/1065455074.db2.gz ZZUFOIFFZQMMCB-NHYWBVRUSA-N 0 3 366.801 2.995 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC001475069532 1065693028 /nfs/dbraw/zinc/69/30/28/1065693028.db2.gz UZSCTYDXKLLIME-GUTXKFCHSA-N 0 3 369.487 2.548 20 5 FFBDHN C[NH+](C)[C@@H](CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC001578962302 1078554709 /nfs/dbraw/zinc/55/47/09/1078554709.db2.gz MYEACFDIKZTAOT-HNNXBMFYSA-N 0 3 371.376 2.629 20 5 FFBDHN CN(C)[C@H]1C[C@@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC001557698919 1075875815 /nfs/dbraw/zinc/87/58/15/1075875815.db2.gz YJVVVTWHOUDPPP-SJORKVTESA-N 0 3 359.426 2.547 20 5 FFBDHN COc1ccc(C[C@@](C)(CO)NCc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC001560183690 1076242942 /nfs/dbraw/zinc/24/29/42/1076242942.db2.gz VSZQKARATCFTNJ-IBGZPJMESA-N 0 3 360.410 2.695 20 5 FFBDHN COC(=O)c1ccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1C ZINC001560641542 1076287184 /nfs/dbraw/zinc/28/71/84/1076287184.db2.gz HMGBIKPDKDEHEI-OAHLLOKOSA-N 0 3 370.409 2.771 20 5 FFBDHN CN1C[C@@H]2CCCN(Cc3cc(Br)c([N+](=O)[O-])s3)[C@@H]2C1 ZINC001560898039 1076307523 /nfs/dbraw/zinc/30/75/23/1076307523.db2.gz WONDOZVUVLYXJM-JOYOIKCWSA-N 0 3 360.277 2.945 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)CN1Cc1ccccc1 ZINC001566338703 1076948102 /nfs/dbraw/zinc/94/81/02/1076948102.db2.gz QCLCYRVGQOFNFO-ZFWWWQNUSA-N 0 3 354.410 2.570 20 5 FFBDHN CC(C)[NH+]1CCC(CCNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC001589708520 1080682245 /nfs/dbraw/zinc/68/22/45/1080682245.db2.gz MWUVVLSTLSMRML-UHFFFAOYSA-N 0 3 359.434 2.697 20 5 FFBDHN C[C@@H](Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001589978705 1080918056 /nfs/dbraw/zinc/91/80/56/1080918056.db2.gz YMVNGWYYCRFTNL-CHWSQXEVSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@@H](Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001589978705 1080918060 /nfs/dbraw/zinc/91/80/60/1080918060.db2.gz YMVNGWYYCRFTNL-CHWSQXEVSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@@H](Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001589978705 1080918063 /nfs/dbraw/zinc/91/80/63/1080918063.db2.gz YMVNGWYYCRFTNL-CHWSQXEVSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@@H](Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001589978705 1080918066 /nfs/dbraw/zinc/91/80/66/1080918066.db2.gz YMVNGWYYCRFTNL-CHWSQXEVSA-N 0 3 371.445 2.840 20 5 FFBDHN O=C(CN1CCN(C2CCCC2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000027118258 210161579 /nfs/dbraw/zinc/16/15/79/210161579.db2.gz AKUBHGSXTWIAOQ-UHFFFAOYSA-N 0 3 366.849 2.747 20 5 FFBDHN COCCOC1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000093339321 250029051 /nfs/dbraw/zinc/02/90/51/250029051.db2.gz VEUZUGGWPOYSNV-UHFFFAOYSA-N 0 3 374.441 2.623 20 5 FFBDHN CN(C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000106363574 250265711 /nfs/dbraw/zinc/26/57/11/250265711.db2.gz CNAIVDUIEWZCCU-MRXNPFEDSA-N 0 3 360.458 2.751 20 5 FFBDHN CN1CC[C@H]2CCN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000272671401 252098144 /nfs/dbraw/zinc/09/81/44/252098144.db2.gz TXMRMUWAYZAQBB-SWLSCSKDSA-N 0 3 367.833 2.570 20 5 FFBDHN C[C@]1(NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000273048998 252200882 /nfs/dbraw/zinc/20/08/82/252200882.db2.gz JYRZWDNLGPGCPA-CVEARBPZSA-N 0 3 353.806 2.734 20 5 FFBDHN COc1cccc(C2(NC[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000273158048 252234217 /nfs/dbraw/zinc/23/42/17/252234217.db2.gz MZOJBJCDTWOYPX-HNNXBMFYSA-N 0 3 358.394 2.622 20 5 FFBDHN CC1(C)[C@H](C(F)(F)F)CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000276321317 256089998 /nfs/dbraw/zinc/08/99/98/256089998.db2.gz YWDCUSAQWDWDJM-BXUZGUMPSA-N 0 3 362.348 2.997 20 5 FFBDHN COc1cc(CNCCC[C@H](C)O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000278573968 256326799 /nfs/dbraw/zinc/32/67/99/256326799.db2.gz DWSYPPZMHFPBGT-JTQLQIEISA-N 0 3 366.336 2.795 20 5 FFBDHN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C1CCN(C2CC2)CC1 ZINC000278704402 256340222 /nfs/dbraw/zinc/34/02/22/256340222.db2.gz GBUUUMMCZUAARD-UHFFFAOYSA-N 0 3 351.834 2.781 20 5 FFBDHN COC(=O)c1cc(C)nc(N2CCCN(C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000287280122 257081036 /nfs/dbraw/zinc/08/10/36/257081036.db2.gz LRVHGJOERYBABD-UHFFFAOYSA-N 0 3 362.430 2.540 20 5 FFBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000288494299 257196061 /nfs/dbraw/zinc/19/60/61/257196061.db2.gz RSSMKLISTWWWCR-IUODEOHRSA-N 0 3 353.369 2.772 20 5 FFBDHN CCN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCOC(C)(C)C1 ZINC000290014169 257311435 /nfs/dbraw/zinc/31/14/35/257311435.db2.gz ZXOKCXJAAHXRQY-MRXNPFEDSA-N 0 3 361.442 2.763 20 5 FFBDHN CC(C)S(=O)(=O)CCN[C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000290520168 257338409 /nfs/dbraw/zinc/33/84/09/257338409.db2.gz YXQDMBXEUVIRID-HOCLYGCPSA-N 0 3 354.472 2.719 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000290485502 257335006 /nfs/dbraw/zinc/33/50/06/257335006.db2.gz VQLDGZPIPOMGTA-RDJZCZTQSA-N 0 3 370.361 2.524 20 5 FFBDHN CN(C)[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1cccc(C(F)(F)F)c1 ZINC000302213479 258096045 /nfs/dbraw/zinc/09/60/45/258096045.db2.gz FSZRMFIMTBUIGF-NSHDSACASA-N 0 3 370.335 2.701 20 5 FFBDHN COC(=O)c1cnc(N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000302749517 258109717 /nfs/dbraw/zinc/10/97/17/258109717.db2.gz GRQRHRXGLSQSBX-JHJVBQTASA-N 0 3 350.419 2.555 20 5 FFBDHN COC(=O)c1cnc(N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000302772841 258110356 /nfs/dbraw/zinc/11/03/56/258110356.db2.gz NOBVUFNJDONXBR-CJNGLKHVSA-N 0 3 370.409 2.851 20 5 FFBDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000331374203 258183816 /nfs/dbraw/zinc/18/38/16/258183816.db2.gz FZARLJKSFCFYQE-HOTGVXAUSA-N 0 3 367.833 2.574 20 5 FFBDHN Cc1c(NC(=O)CCN2C[C@@H]3CCCCN3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000332008724 258210104 /nfs/dbraw/zinc/21/01/04/258210104.db2.gz JSUQEZANNSMVID-ZBFHGGJFSA-N 0 3 360.458 2.790 20 5 FFBDHN COc1cc(CN2C[C@@H](N3CCCC3)[C@@H](SC)C2)c([N+](=O)[O-])cc1F ZINC000332084506 258213402 /nfs/dbraw/zinc/21/34/02/258213402.db2.gz PUJGYSJWMUZYFR-WBVHZDCISA-N 0 3 369.462 2.754 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1C ZINC000331825449 258201795 /nfs/dbraw/zinc/20/17/95/258201795.db2.gz MXYBKXOLVQJHQR-OIISXLGYSA-N 0 3 360.458 2.967 20 5 FFBDHN CN(C)[C@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccsc1 ZINC000032369005 506246212 /nfs/dbraw/zinc/24/62/12/506246212.db2.gz HQCWHGZQRCAHAW-CQSZACIVSA-N 0 3 359.411 2.565 20 5 FFBDHN CCCCN(C)C(=O)C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065535532 506319102 /nfs/dbraw/zinc/31/91/02/506319102.db2.gz MAFAARURXWNNMY-UHFFFAOYSA-N 0 3 363.458 2.944 20 5 FFBDHN Cc1n[nH]cc1C1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000375338540 512275631 /nfs/dbraw/zinc/27/56/31/512275631.db2.gz YLBVUHSIKWRMAL-UHFFFAOYSA-N 0 3 357.414 2.835 20 5 FFBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000054223607 506516013 /nfs/dbraw/zinc/51/60/13/506516013.db2.gz KFQDIVDRBRRBRL-RDJZCZTQSA-N 0 3 369.421 2.925 20 5 FFBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000054645702 506595074 /nfs/dbraw/zinc/59/50/74/506595074.db2.gz GJLMYMOKBIUQEG-SFHVURJKSA-N 0 3 368.437 2.711 20 5 FFBDHN CCN1CCC(n2nccc2NC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000066662853 506597183 /nfs/dbraw/zinc/59/71/83/506597183.db2.gz APBPWQRDOUBVFJ-UHFFFAOYSA-N 0 3 361.377 2.840 20 5 FFBDHN O=C(NCCCN1CCc2ccccc2C1)NCc1ccccc1[N+](=O)[O-] ZINC000045623269 506993209 /nfs/dbraw/zinc/99/32/09/506993209.db2.gz RTOHPLZGRWOQSM-UHFFFAOYSA-N 0 3 368.437 2.842 20 5 FFBDHN Cc1c(NC(=O)[C@H](C)N2CCN(C3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000045768822 507016093 /nfs/dbraw/zinc/01/60/93/507016093.db2.gz XYHBLUWBUCZQPP-HNNXBMFYSA-N 0 3 360.458 2.790 20 5 FFBDHN COc1ccc(CC(=O)N2CCN(CCC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000067909539 507047780 /nfs/dbraw/zinc/04/77/80/507047780.db2.gz YVCXDGGPDBGOLH-UHFFFAOYSA-N 0 3 363.458 2.726 20 5 FFBDHN CCCc1n[nH]c(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1[N+](=O)[O-] ZINC000068333443 507190091 /nfs/dbraw/zinc/19/00/91/507190091.db2.gz DAVPQPRFMLPCOG-INIZCTEOSA-N 0 3 371.441 2.837 20 5 FFBDHN O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000046917775 507221279 /nfs/dbraw/zinc/22/12/79/507221279.db2.gz RMGNTCXIAFEMRS-IBGZPJMESA-N 0 3 369.421 2.927 20 5 FFBDHN CC(C)(CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000069041893 507389204 /nfs/dbraw/zinc/38/92/04/507389204.db2.gz VYELIONQCVGCRK-UHFFFAOYSA-N 0 3 364.446 2.537 20 5 FFBDHN CCC[C@@H](C)NC(=O)C(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000048717174 507555430 /nfs/dbraw/zinc/55/54/30/507555430.db2.gz CVJXUJIKUNPDTI-YPMHNXCESA-N 0 3 356.444 2.511 20 5 FFBDHN CCC(CC)NC(=O)C(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000048717162 507555841 /nfs/dbraw/zinc/55/58/41/507555841.db2.gz UHFCBJJHRKPXPF-GFCCVEGCSA-N 0 3 356.444 2.511 20 5 FFBDHN COc1ccc(CN(C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1C ZINC000071959598 507730629 /nfs/dbraw/zinc/73/06/29/507730629.db2.gz WYRVPTZTTRAKTR-QGZVFWFLSA-N 0 3 360.410 2.784 20 5 FFBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NCc1ccccc1CN1CCCCC1 ZINC000031524842 507819878 /nfs/dbraw/zinc/81/98/78/507819878.db2.gz VVIPVSUFZKEOSN-UHFFFAOYSA-N 0 3 356.426 2.849 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCN(CC3CCOCC3)CC2)cc1OC(F)F ZINC000078293093 507856882 /nfs/dbraw/zinc/85/68/82/507856882.db2.gz SPGNTEBSYGHDGJ-UHFFFAOYSA-N 0 3 371.384 2.745 20 5 FFBDHN Cc1cnc(N2CCN(CCN(C)Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000078659692 507895033 /nfs/dbraw/zinc/89/50/33/507895033.db2.gz MHQAHWDGKRODNB-UHFFFAOYSA-N 0 3 369.469 2.552 20 5 FFBDHN CC(C)=CCC[C@H](C)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015410 507902579 /nfs/dbraw/zinc/90/25/79/507902579.db2.gz ZEBLLNKVDQIKGA-AWEZNQCLSA-N 0 3 355.460 2.598 20 5 FFBDHN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1CCN(Cc2ccccc2)C1 ZINC000075109128 508083532 /nfs/dbraw/zinc/08/35/32/508083532.db2.gz BHFOLNSCBNSCAF-SFHVURJKSA-N 0 3 368.437 2.711 20 5 FFBDHN COc1ccc(CN(C)CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1O ZINC000080964186 508118012 /nfs/dbraw/zinc/11/80/12/508118012.db2.gz HKXWYYCVPZVRHB-UHFFFAOYSA-N 0 3 359.382 2.770 20 5 FFBDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000081128577 508141095 /nfs/dbraw/zinc/14/10/95/508141095.db2.gz CKNHOJHKJUAVBG-IBGZPJMESA-N 0 3 353.422 2.870 20 5 FFBDHN CCCc1n[nH]c(C(=O)NC[C@H]2CCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000114799331 508348540 /nfs/dbraw/zinc/34/85/40/508348540.db2.gz DOMCHPBJTGCIPV-OAHLLOKOSA-N 0 3 371.441 2.665 20 5 FFBDHN CCOc1ccc(C(=O)N(CCN(C)C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000088229942 508358747 /nfs/dbraw/zinc/35/87/47/508358747.db2.gz BBUPRNASNONQRU-UHFFFAOYSA-N 0 3 361.398 2.791 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CN1C1CC1 ZINC000133779712 508448312 /nfs/dbraw/zinc/44/83/12/508448312.db2.gz MZMQTUPOBVSRRH-CABZTGNLSA-N 0 3 357.332 2.969 20 5 FFBDHN Cc1c(C(=O)N(CCN(C)C)C(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000156768301 508474886 /nfs/dbraw/zinc/47/48/86/508474886.db2.gz UNNZSZDVNXRSHR-UHFFFAOYSA-N 0 3 352.391 2.532 20 5 FFBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000122382338 508526479 /nfs/dbraw/zinc/52/64/79/508526479.db2.gz CUHVJKYPDHMZGU-MRXNPFEDSA-N 0 3 358.442 2.753 20 5 FFBDHN Cc1c(NC(=O)NCc2ccnc(OCCN(C)C)c2)cccc1[N+](=O)[O-] ZINC000128630939 508620939 /nfs/dbraw/zinc/62/09/39/508620939.db2.gz KZACUXLNQCCNCK-UHFFFAOYSA-N 0 3 373.413 2.560 20 5 FFBDHN CCOc1ccc([C@H](C)NCCN2CCC(OC)CC2)cc1[N+](=O)[O-] ZINC000154156960 508727790 /nfs/dbraw/zinc/72/77/90/508727790.db2.gz AEPXKRJTYNFINO-AWEZNQCLSA-N 0 3 351.447 2.755 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000137459990 508757204 /nfs/dbraw/zinc/75/72/04/508757204.db2.gz MYFGUFBVIRJSJQ-WBVHZDCISA-N 0 3 369.421 2.753 20 5 FFBDHN COc1cc(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000137476473 508757476 /nfs/dbraw/zinc/75/74/76/508757476.db2.gz WLSZNRQAIHCRDW-YOEHRIQHSA-N 0 3 369.421 2.996 20 5 FFBDHN CCCc1n[nH]c(C(=O)NC[C@@H]2CCCCN2CC(C)C)c1[N+](=O)[O-] ZINC000154314359 508758262 /nfs/dbraw/zinc/75/82/62/508758262.db2.gz NTLZNCNLOBYAEV-ZDUSSCGKSA-N 0 3 351.451 2.511 20 5 FFBDHN CC(C)N(CCN1C(=O)NC2(CCCC2)C1=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000159577106 508861364 /nfs/dbraw/zinc/86/13/64/508861364.db2.gz MRFVFVJMZZXLAL-UHFFFAOYSA-N 0 3 374.441 2.670 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000119860124 508877880 /nfs/dbraw/zinc/87/78/80/508877880.db2.gz UEKGQFYWMCULRP-GUYCJALGSA-N 0 3 357.385 2.984 20 5 FFBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@](C)(O)c1ccsc1 ZINC000159973715 508919136 /nfs/dbraw/zinc/91/91/36/508919136.db2.gz NLVJFBAYZYXBDS-SJCJKPOMSA-N 0 3 363.439 2.871 20 5 FFBDHN CN(CC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000248088090 509234055 /nfs/dbraw/zinc/23/40/55/509234055.db2.gz SZZHGDNOFSXMND-OXQOHEQNSA-N 0 3 368.437 2.593 20 5 FFBDHN CC(C)(O)CN(Cc1ccccc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182472056 509254780 /nfs/dbraw/zinc/25/47/80/509254780.db2.gz XNPHGFBUTCIZJK-QGZVFWFLSA-N 0 3 374.437 2.608 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](c2ncc[nH]2)C1 ZINC000266959813 509278833 /nfs/dbraw/zinc/27/88/33/509278833.db2.gz WOOLULUMSVHYMB-ZDUSSCGKSA-N 0 3 373.413 2.535 20 5 FFBDHN COc1cccc(C2CCN(CCn3cc([N+](=O)[O-])ccc3=O)CC2)c1 ZINC000179205903 509319907 /nfs/dbraw/zinc/31/99/07/509319907.db2.gz UESOSPRTJGXDGA-UHFFFAOYSA-N 0 3 357.410 2.645 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCS[C@@H]2CCCC[C@H]21 ZINC000248473136 509336006 /nfs/dbraw/zinc/33/60/06/509336006.db2.gz WRDMEHURAVYZBO-FRFSOERESA-N 0 3 352.456 2.695 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)C1CCN(C(C)C)CC1 ZINC000267133469 509358573 /nfs/dbraw/zinc/35/85/73/509358573.db2.gz DBEOTQZGGSSYCO-UHFFFAOYSA-N 0 3 369.487 2.705 20 5 FFBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC1CCN(C)CC1 ZINC000264244276 509407697 /nfs/dbraw/zinc/40/76/97/509407697.db2.gz WBIAWSRXUUHQMF-ZDUSSCGKSA-N 0 3 351.472 2.876 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000248701142 509442029 /nfs/dbraw/zinc/44/20/29/509442029.db2.gz AFZKVOPMXUGHAO-HNAYVOBHSA-N 0 3 369.421 2.610 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000248719146 509451979 /nfs/dbraw/zinc/45/19/79/509451979.db2.gz CELXJNXCAQZVCB-MLGOLLRUSA-N 0 3 372.400 2.566 20 5 FFBDHN C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCN(C2CCC2)C1 ZINC000186075059 509511751 /nfs/dbraw/zinc/51/17/51/509511751.db2.gz GDURXNYYXWUVHB-KGLIPLIRSA-N 0 3 367.471 2.526 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@H](N4CCCCC4)C3)n2)cc1 ZINC000264557263 509599253 /nfs/dbraw/zinc/59/92/53/509599253.db2.gz DUFLPKZWBRGZPD-INIZCTEOSA-N 0 3 357.414 2.705 20 5 FFBDHN Cc1ccc([C@@H](C)NC(=O)c2ccnc(OCCN(C)C)c2)cc1[N+](=O)[O-] ZINC000183225157 509667165 /nfs/dbraw/zinc/66/71/65/509667165.db2.gz PSAGLHHCHNYHEO-CQSZACIVSA-N 0 3 372.425 2.730 20 5 FFBDHN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3C[C@@H](C)NC[C@@H]3C)cc2[N+](=O)[O-])C1 ZINC000237691546 509712105 /nfs/dbraw/zinc/71/21/05/509712105.db2.gz FZAAXMNOHJIVNL-QXSJWSMHSA-N 0 3 374.485 2.900 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H](c3nccs3)C2)c1 ZINC000249803545 509766557 /nfs/dbraw/zinc/76/65/57/509766557.db2.gz ARWDPEUQOYFBJY-UKRRQHHQSA-N 0 3 363.439 2.671 20 5 FFBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H]2CCS(=O)(=O)C2)s1 ZINC000237956389 509785593 /nfs/dbraw/zinc/78/55/93/509785593.db2.gz BYDCYGFHCULQMS-LBPRGKRZSA-N 0 3 366.464 2.848 20 5 FFBDHN CC(C)[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1F ZINC000180267213 509840100 /nfs/dbraw/zinc/84/01/00/509840100.db2.gz KTDNHMZEHXPZND-CZUORRHYSA-N 0 3 370.812 2.932 20 5 FFBDHN COc1cc(C(=O)NCCN(C)Cc2ccccc2)cc([N+](=O)[O-])c1C ZINC000189966417 509858070 /nfs/dbraw/zinc/85/80/70/509858070.db2.gz DPODFJPLTDDYAR-UHFFFAOYSA-N 0 3 357.410 2.774 20 5 FFBDHN C[C@@H](CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)N1CCN(C)CC1 ZINC000180465070 509938393 /nfs/dbraw/zinc/93/83/93/509938393.db2.gz HCRZXFQSOQIXQZ-UWJYYQICSA-N 0 3 368.481 2.910 20 5 FFBDHN COC(=O)c1cnc(NC[C@H](c2ccc(F)cc2)N(C)C)c([N+](=O)[O-])c1 ZINC000190169214 509983694 /nfs/dbraw/zinc/98/36/94/509983694.db2.gz YKSIGUSHERBJBV-OAHLLOKOSA-N 0 3 362.361 2.630 20 5 FFBDHN CC(C)n1cnnc1[C@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000245548147 509997032 /nfs/dbraw/zinc/99/70/32/509997032.db2.gz YFJXPMXVGQSYPC-DOTOQJQBSA-N 0 3 359.430 2.680 20 5 FFBDHN CN1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000245631618 510049619 /nfs/dbraw/zinc/04/96/19/510049619.db2.gz IBMBRSMXNJWZTA-ZWKOTPCHSA-N 0 3 354.410 2.839 20 5 FFBDHN CN1CC[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000245658884 510067151 /nfs/dbraw/zinc/06/71/51/510067151.db2.gz PBPFDDWLBMIDCI-QZTJIDSGSA-N 0 3 354.410 2.839 20 5 FFBDHN C[C@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@@H](C)C1 ZINC000245721178 510107586 /nfs/dbraw/zinc/10/75/86/510107586.db2.gz WCTKIDTYRPHQQP-HUUCEWRRSA-N 0 3 371.441 2.631 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(c2ncc[nH]2)CC1 ZINC000265555318 510112582 /nfs/dbraw/zinc/11/25/82/510112582.db2.gz ZPPBELAUICOSIQ-UHFFFAOYSA-N 0 3 357.414 2.835 20 5 FFBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC000174621643 510211722 /nfs/dbraw/zinc/21/17/22/510211722.db2.gz XKDITWBIJMBMCD-NWDGAFQWSA-N 0 3 357.332 2.922 20 5 FFBDHN COc1ccc2oc([C@@H](C)NC[C@H](O)Cn3cc([N+](=O)[O-])cn3)c(C)c2c1 ZINC000184321215 510261328 /nfs/dbraw/zinc/26/13/28/510261328.db2.gz MDVIGQAYQUULTP-OCCSQVGLSA-N 0 3 374.397 2.566 20 5 FFBDHN COc1cc(C(=O)Nc2cccc(CN(C)C)c2)cc([N+](=O)[O-])c1OC ZINC000265864470 510271075 /nfs/dbraw/zinc/27/10/75/510271075.db2.gz DREACHZWKFHBES-UHFFFAOYSA-N 0 3 359.382 2.926 20 5 FFBDHN C[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)N(C)C ZINC000269709344 510520629 /nfs/dbraw/zinc/52/06/29/510520629.db2.gz UGIDAXMTQICNIP-ZETCQYMHSA-N 0 3 364.627 2.691 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)CN1C1CC1 ZINC000184856928 510549888 /nfs/dbraw/zinc/54/98/88/510549888.db2.gz HUZIPDDPOCZUAB-NXEZZACHSA-N 0 3 368.231 2.712 20 5 FFBDHN CCC(CC)(CNCc1cc([N+](=O)[O-])cc2c1OCOC2)C(=O)OC ZINC000269895416 510587305 /nfs/dbraw/zinc/58/73/05/510587305.db2.gz MVZSGQCXPKZMGR-UHFFFAOYSA-N 0 3 352.387 2.530 20 5 FFBDHN CCCO[C@@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181862855 510630984 /nfs/dbraw/zinc/63/09/84/510630984.db2.gz KMJBRXNBKHOJHO-JKSUJKDBSA-N 0 3 352.431 2.616 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]2c2cccc(Cl)c2)c1 ZINC000246773977 510666053 /nfs/dbraw/zinc/66/60/53/510666053.db2.gz RYFKKCFKKGWBLO-CVEARBPZSA-N 0 3 350.806 2.643 20 5 FFBDHN Cc1ccc(S(=O)(=O)C[C@@H](C)NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000185352093 510818232 /nfs/dbraw/zinc/81/82/32/510818232.db2.gz QLMZHXJVALENTR-OAHLLOKOSA-N 0 3 362.451 2.898 20 5 FFBDHN C[C@H](CN1CCCCCC1)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000185412158 510838901 /nfs/dbraw/zinc/83/89/01/510838901.db2.gz MGAFGZNBYDIQDH-OAHLLOKOSA-N 0 3 371.441 2.775 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc1SC ZINC000247420708 510860385 /nfs/dbraw/zinc/86/03/85/510860385.db2.gz NZLISILUGQDXEJ-DGCLKSJQSA-N 0 3 367.471 2.738 20 5 FFBDHN CCOc1cc(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000247554927 510865499 /nfs/dbraw/zinc/86/54/99/510865499.db2.gz ZCGNFKRNIRLLIY-QWHCGFSZSA-N 0 3 365.430 2.557 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCC[C@@H]2CCCF)cc1 ZINC000282563773 511027364 /nfs/dbraw/zinc/02/73/64/511027364.db2.gz YIQGVFIWQGIOQC-CZUORRHYSA-N 0 3 358.435 2.877 20 5 FFBDHN C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)NCCF ZINC000282725665 511088431 /nfs/dbraw/zinc/08/84/31/511088431.db2.gz QPYVTJMZVMWXSW-LLVKDONJSA-N 0 3 351.403 2.887 20 5 FFBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CCC3(CCOCC3)[C@@H]2O)c(Cl)c1 ZINC000282959921 511177779 /nfs/dbraw/zinc/17/77/79/511177779.db2.gz YIZAIBPPCYKJBI-CZUORRHYSA-N 0 3 354.834 2.906 20 5 FFBDHN C[C@@H]1C[C@H](N(C)C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CCN1C ZINC000294934731 511226132 /nfs/dbraw/zinc/22/61/32/511226132.db2.gz LEVDQBITTNXWDI-IUODEOHRSA-N 0 3 357.414 2.540 20 5 FFBDHN COc1cc(C[NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)c([N+](=O)[O-])cc1[O-] ZINC000294990314 511245339 /nfs/dbraw/zinc/24/53/39/511245339.db2.gz KQNSHFMIILUYFA-RHSMWYFYSA-N 0 3 359.382 2.714 20 5 FFBDHN CCN(Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000362852290 511252030 /nfs/dbraw/zinc/25/20/30/511252030.db2.gz PTQMKMVZWUNDKC-DOTOQJQBSA-N 0 3 357.458 2.986 20 5 FFBDHN COc1ccc(NC(=O)CCN2CC[C@@]3(C)[C@@H](C2)C3(F)F)c([N+](=O)[O-])c1 ZINC000298367250 511259741 /nfs/dbraw/zinc/25/97/41/511259741.db2.gz USQMUZNTOJEGRM-ZBFHGGJFSA-N 0 3 369.368 2.909 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CN1C1CC1 ZINC000295059347 511267009 /nfs/dbraw/zinc/26/70/09/511267009.db2.gz TZXOELCLXRHCFQ-VHSXEESVSA-N 0 3 357.332 2.969 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CN1C1CC1 ZINC000295059340 511267610 /nfs/dbraw/zinc/26/76/10/511267610.db2.gz TZXOELCLXRHCFQ-NXEZZACHSA-N 0 3 357.332 2.969 20 5 FFBDHN COCC1(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CCOCC1 ZINC000291809933 511347104 /nfs/dbraw/zinc/34/71/04/511347104.db2.gz YAFAZDJOARTWMJ-UHFFFAOYSA-N 0 3 360.357 2.729 20 5 FFBDHN COc1cc(C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000295315040 511359959 /nfs/dbraw/zinc/35/99/59/511359959.db2.gz CSVKTPQDIGVJHJ-GFCCVEGCSA-N 0 3 365.405 2.689 20 5 FFBDHN CN(C)C1(CN(C)C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CCC1 ZINC000295508641 511428862 /nfs/dbraw/zinc/42/88/62/511428862.db2.gz HRYCNBULTIIZFK-UHFFFAOYSA-N 0 3 357.414 2.541 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCN1C ZINC000334078884 511450207 /nfs/dbraw/zinc/45/02/07/511450207.db2.gz MMJKRWIVJOJQHL-GXSJLCMTSA-N 0 3 356.220 2.570 20 5 FFBDHN C[C@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCN(C2CCC2)C1 ZINC000292076628 511455235 /nfs/dbraw/zinc/45/52/35/511455235.db2.gz DAOGSGHNJBSGFS-AWEZNQCLSA-N 0 3 371.441 2.951 20 5 FFBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295845540 511533245 /nfs/dbraw/zinc/53/32/45/511533245.db2.gz WUEMOPJBRWJASL-YOEHRIQHSA-N 0 3 359.426 2.643 20 5 FFBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(CCc4cscn4)CC3)nc2c1 ZINC000295873700 511541407 /nfs/dbraw/zinc/54/14/07/511541407.db2.gz ZFTIDPYTOZVYOM-UHFFFAOYSA-N 0 3 372.454 2.682 20 5 FFBDHN CCOc1ccc([C@H](C)N[C@@H](CO)C[C@@H](O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000284454131 511729603 /nfs/dbraw/zinc/72/96/03/511729603.db2.gz SRTPNSVCLBPFSL-DXCKQFNASA-N 0 3 354.447 2.802 20 5 FFBDHN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000292827614 511736136 /nfs/dbraw/zinc/73/61/36/511736136.db2.gz OMWXSLMWFSDOLI-ZDUSSCGKSA-N 0 3 373.375 2.768 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC=C(c3ccc(Cl)cc3)CC2)c1 ZINC000365934631 511737018 /nfs/dbraw/zinc/73/70/18/511737018.db2.gz RBVVXWWKKJAMAZ-KRWDZBQOSA-N 0 3 362.817 2.595 20 5 FFBDHN O=C(CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000296435749 511742508 /nfs/dbraw/zinc/74/25/08/511742508.db2.gz WIZYIDBOEZJFPW-XZJROXQQSA-N 0 3 365.817 2.734 20 5 FFBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(CCc4cccnc4)CC3)nc2c1 ZINC000274862955 511967553 /nfs/dbraw/zinc/96/75/53/511967553.db2.gz UWPDGCJFKDVWLN-UHFFFAOYSA-N 0 3 366.425 2.621 20 5 FFBDHN CN(C)c1ccc(C2CCN(CCn3cc([N+](=O)[O-])ccc3=O)CC2)cc1 ZINC000364330134 512088040 /nfs/dbraw/zinc/08/80/40/512088040.db2.gz UQNRXROINYNQIX-UHFFFAOYSA-N 0 3 370.453 2.702 20 5 FFBDHN COc1ccc(OCCN2CCC[C@H](c3ccnn3C)C2)c([N+](=O)[O-])c1 ZINC000377823678 512467288 /nfs/dbraw/zinc/46/72/88/512467288.db2.gz LQDJCBSGDSJICJ-AWEZNQCLSA-N 0 3 360.414 2.595 20 5 FFBDHN CC(C)N1CCN([C@@H]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)C2)CC1 ZINC000375867669 512545251 /nfs/dbraw/zinc/54/52/51/512545251.db2.gz DUKXHTOIBZQEEJ-MRXNPFEDSA-N 0 3 369.469 2.748 20 5 FFBDHN O=[N+]([O-])c1ccn(C2CCN(CCCOc3ccc4c(c3)OCO4)CC2)n1 ZINC000369682599 512552727 /nfs/dbraw/zinc/55/27/27/512552727.db2.gz FTXCEJODVPBING-UHFFFAOYSA-N 0 3 374.397 2.626 20 5 FFBDHN CCc1ccc([C@H](CO)NCCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000411511418 512669118 /nfs/dbraw/zinc/66/91/18/512669118.db2.gz PHAWTVKZOXOQCM-KRWDZBQOSA-N 0 3 357.410 2.809 20 5 FFBDHN CCc1n[nH]c(C(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000374164234 512687093 /nfs/dbraw/zinc/68/70/93/512687093.db2.gz RDZVXTPXTBMZGG-LJQANCHMSA-N 0 3 371.441 2.522 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)c1F ZINC000411606229 512715225 /nfs/dbraw/zinc/71/52/25/512715225.db2.gz QPIDEKGZICAASE-OLZOCXBDSA-N 0 3 367.421 2.522 20 5 FFBDHN CCN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000378406445 512743094 /nfs/dbraw/zinc/74/30/94/512743094.db2.gz UONIMWCDACWSTO-GOEBONIOSA-N 0 3 371.441 2.626 20 5 FFBDHN O=C(CCN[C@@]1(CO)CCCc2ccccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC000411673551 512749994 /nfs/dbraw/zinc/74/99/94/512749994.db2.gz KYXRTACTEWADHA-HXUWFJFHSA-N 0 3 369.421 2.737 20 5 FFBDHN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@H](N2CCCC2)C1 ZINC000368032895 512772890 /nfs/dbraw/zinc/77/28/90/512772890.db2.gz ADLHSWKJWOMPPX-ZDUSSCGKSA-N 0 3 369.368 2.897 20 5 FFBDHN O=[N+]([O-])c1cn(C[C@H]2CN(Cc3ccccc3)CCCO2)nc1C1CC1 ZINC000370278488 512856450 /nfs/dbraw/zinc/85/64/50/512856450.db2.gz GTPSTOXTCDDWOI-QGZVFWFLSA-N 0 3 356.426 2.960 20 5 FFBDHN CNc1ccc(C(=O)N[C@H](C)CN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000388307935 512894135 /nfs/dbraw/zinc/89/41/35/512894135.db2.gz HPJZNZWTROOIEC-CQSZACIVSA-N 0 3 356.426 2.887 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000370505423 512968271 /nfs/dbraw/zinc/96/82/71/512968271.db2.gz UAUPGJMAABVNGO-HNNXBMFYSA-N 0 3 355.394 2.873 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@@H]3CCCC[C@@]32c2ccccc2)c1 ZINC000370706823 513062785 /nfs/dbraw/zinc/06/27/85/513062785.db2.gz FVDFXYLXHBDWBE-QXAKKESOSA-N 0 3 356.426 2.554 20 5 FFBDHN CCn1cc([C@H]2OCCC[C@@H]2NCc2ccc(OC)c([N+](=O)[O-])c2)cn1 ZINC000433926351 513188456 /nfs/dbraw/zinc/18/84/56/513188456.db2.gz KLXCUOVQSKZMSO-MAUKXSAKSA-N 0 3 360.414 2.830 20 5 FFBDHN CN(C)CCn1c(=O)oc2ccc(NCc3ccc([N+](=O)[O-])cc3F)cc21 ZINC000421346481 513232030 /nfs/dbraw/zinc/23/20/30/513232030.db2.gz SZSLGDZXCFEQRZ-UHFFFAOYSA-N 0 3 374.372 2.816 20 5 FFBDHN C[C@@H]1C[C@@H]1N1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](C)C1 ZINC000429012247 513252768 /nfs/dbraw/zinc/25/27/68/513252768.db2.gz SVAROROQNREWGK-CPUCHLNUSA-N 0 3 371.441 2.807 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000415499656 513294739 /nfs/dbraw/zinc/29/47/39/513294739.db2.gz KFNSALXSLPMZDE-INIZCTEOSA-N 0 3 356.382 2.612 20 5 FFBDHN CCc1ccccc1[C@@H](N)CNC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000415506878 513299860 /nfs/dbraw/zinc/29/98/60/513299860.db2.gz SGUPGQOAHGJTQT-HNNXBMFYSA-N 0 3 358.398 2.987 20 5 FFBDHN C[C@@H](NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1cccc(O)c1 ZINC000429315967 513337843 /nfs/dbraw/zinc/33/78/43/513337843.db2.gz KOEGOMCOEKEDDW-GFCCVEGCSA-N 0 3 357.366 2.949 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCCNCc1cccnc1 ZINC000415583196 513337974 /nfs/dbraw/zinc/33/79/74/513337974.db2.gz QNABRFFTVAQWHJ-UHFFFAOYSA-N 0 3 357.414 2.908 20 5 FFBDHN CC1CCN(c2ccc(C(=O)N(C)C[C@@H]3CCCN3C)cc2[N+](=O)[O-])CC1 ZINC000421699282 513374215 /nfs/dbraw/zinc/37/42/15/513374215.db2.gz AWKCRSPEHXOKGQ-KRWDZBQOSA-N 0 3 374.485 2.997 20 5 FFBDHN C[C@H]1CCCN(c2ccc(C(=O)N(C)C[C@H]3CCCN3C)cc2[N+](=O)[O-])C1 ZINC000421706635 513378839 /nfs/dbraw/zinc/37/88/39/513378839.db2.gz VINZUDIPRDGDCW-DOTOQJQBSA-N 0 3 374.485 2.997 20 5 FFBDHN CCC(CC)(CC(=O)OC)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000440887129 513429177 /nfs/dbraw/zinc/42/91/77/513429177.db2.gz LBJYVMPIDIDGSM-UHFFFAOYSA-N 0 3 371.821 2.898 20 5 FFBDHN CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425270887 513486220 /nfs/dbraw/zinc/48/62/20/513486220.db2.gz BFBXHAGNZQXNBU-DLBZAZTESA-N 0 3 355.442 2.830 20 5 FFBDHN NC(=O)Nc1ccc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447535692 513500799 /nfs/dbraw/zinc/50/07/99/513500799.db2.gz HTBVADQJVXVAMS-GJZGRUSLSA-N 0 3 358.402 2.555 20 5 FFBDHN C[C@H](NC(=O)Nc1ccc2c(c1)CNCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000415975991 513512258 /nfs/dbraw/zinc/51/22/58/513512258.db2.gz QLDZWJTUAZCVFO-LBPRGKRZSA-N 0 3 356.382 2.960 20 5 FFBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CC[C@H]1N1CCN(C)CC1 ZINC000413211156 513523689 /nfs/dbraw/zinc/52/36/89/513523689.db2.gz HMEPURXIFSMFOW-DOTOQJQBSA-N 0 3 369.469 2.605 20 5 FFBDHN O=C1CC[C@H](NCc2ccc(Br)cc2[N+](=O)[O-])C2(CCC2)N1 ZINC000425449552 513571628 /nfs/dbraw/zinc/57/16/28/513571628.db2.gz XDLMYPYXYYOLBH-ZDUSSCGKSA-N 0 3 368.231 2.648 20 5 FFBDHN COc1ccc(CNC(=O)NC[C@@H]2N(C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000447982647 513647799 /nfs/dbraw/zinc/64/77/99/513647799.db2.gz MFBVENCTYWPXNS-INIZCTEOSA-N 0 3 364.446 2.523 20 5 FFBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451339619 513685930 /nfs/dbraw/zinc/68/59/30/513685930.db2.gz ILTBNIWGSFOVTH-BNEJOLLZSA-N 0 3 361.442 2.937 20 5 FFBDHN C[C@@]12CN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451368985 513705614 /nfs/dbraw/zinc/70/56/14/513705614.db2.gz MWBIIQUWVYFOMS-JJUQKUTHSA-N 0 3 353.422 2.628 20 5 FFBDHN COc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OCCN(C)C ZINC000416346613 513725182 /nfs/dbraw/zinc/72/51/82/513725182.db2.gz ZIOGDENKZOENAU-UHFFFAOYSA-N 0 3 373.409 2.725 20 5 FFBDHN CCN1CC[C@H](CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436072863 513751971 /nfs/dbraw/zinc/75/19/71/513751971.db2.gz CRKQESBMFHDJOB-CYBMUJFWSA-N 0 3 367.424 2.892 20 5 FFBDHN CC1(C)[C@H](NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H]2CCCO[C@@H]21 ZINC000451478244 513775224 /nfs/dbraw/zinc/77/52/24/513775224.db2.gz JROZBAWRSFZSDS-LYRGGWFBSA-N 0 3 367.833 2.980 20 5 FFBDHN CO[C@]1(C)C[C@H](NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000451483451 513779629 /nfs/dbraw/zinc/77/96/29/513779629.db2.gz FCRUNOBTXYMCNJ-XJKSGUPXSA-N 0 3 355.822 2.980 20 5 FFBDHN O=C1CCN1c1cccc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000442827178 513789299 /nfs/dbraw/zinc/78/92/99/513789299.db2.gz YRIUANKKLYPLFN-IAGOWNOFSA-N 0 3 369.425 2.802 20 5 FFBDHN C[C@H]1CCCCN1CCCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448590721 513797918 /nfs/dbraw/zinc/79/79/18/513797918.db2.gz DLYUMVATVORGGK-HNNXBMFYSA-N 0 3 361.442 2.938 20 5 FFBDHN CC(C)[C@@H](CO)[C@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000451599241 513857799 /nfs/dbraw/zinc/85/77/99/513857799.db2.gz PVDHJPVVKQGUAG-IAOVAPTHSA-N 0 3 351.447 2.801 20 5 FFBDHN COc1cc(OCCN(C)C)ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000413966166 513906438 /nfs/dbraw/zinc/90/64/38/513906438.db2.gz YQRCOHXOPKPQNL-UHFFFAOYSA-N 0 3 373.409 2.725 20 5 FFBDHN CCC[C@H](O)[C@H](CO)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000419809127 513937426 /nfs/dbraw/zinc/93/74/26/513937426.db2.gz GIUCLCWENBYEOX-HOCLYGCPSA-N 0 3 350.440 2.935 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](Nc1ccc(N3CCNCC3)cn1)CCC2 ZINC000423236183 514088575 /nfs/dbraw/zinc/08/85/75/514088575.db2.gz RTFMTQKQHPAXBS-GOSISDBHSA-N 0 3 353.426 2.889 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437345547 514144931 /nfs/dbraw/zinc/14/49/31/514144931.db2.gz LEJYLWNQWNBMQR-OTYXRUKQSA-N 0 3 357.332 2.826 20 5 FFBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCC(=O)N[C@@H]1CCOc2ccccc21 ZINC000449305981 514157047 /nfs/dbraw/zinc/15/70/47/514157047.db2.gz JBECIFXDKQIJDN-RHSMWYFYSA-N 0 3 369.421 2.755 20 5 FFBDHN CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000449362662 514181297 /nfs/dbraw/zinc/18/12/97/514181297.db2.gz LPAIQKKUXYOXHM-MJGOQNOKSA-N 0 3 357.410 2.760 20 5 FFBDHN COc1cc(CN[C@H](C(C)C)[C@@H](CO)C(C)C)c([N+](=O)[O-])cc1OC ZINC000449515515 514235363 /nfs/dbraw/zinc/23/53/63/514235363.db2.gz ZVFRAPRTQRMDEH-KBXCAEBGSA-N 0 3 354.447 2.991 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCO[C@H](c2ccnn2C)C1 ZINC000449582364 514263743 /nfs/dbraw/zinc/26/37/43/514263743.db2.gz FVXMNLUEXQHNTH-KSSFIOAISA-N 0 3 360.414 2.737 20 5 FFBDHN CCc1ccccc1[C@H](N)CNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000423938216 514296609 /nfs/dbraw/zinc/29/66/09/514296609.db2.gz ISNXLOHYCUIJCU-MRXNPFEDSA-N 0 3 357.410 2.904 20 5 FFBDHN CCCc1n[nH]c(C(=O)N[C@@H](CC(C)C)CN2CCCC2)c1[N+](=O)[O-] ZINC000452347298 514299509 /nfs/dbraw/zinc/29/95/09/514299509.db2.gz ZJOWPZCVIQIOLG-ZDUSSCGKSA-N 0 3 351.451 2.511 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@H]1CCCCS1(=O)=O)CCCC2 ZINC000417343125 514304119 /nfs/dbraw/zinc/30/41/19/514304119.db2.gz NXLPUVRKWWLWJK-WBVHZDCISA-N 0 3 352.456 2.919 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000428530324 514490609 /nfs/dbraw/zinc/49/06/09/514490609.db2.gz CXBRPQVUBAMUOD-INIZCTEOSA-N 0 3 355.394 2.722 20 5 FFBDHN CC[C@@H]1CCCCN1CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000502347706 514620754 /nfs/dbraw/zinc/62/07/54/514620754.db2.gz HIGHBORKFCGCLJ-CYBMUJFWSA-N 0 3 350.419 2.989 20 5 FFBDHN CC[C@H]1CCCCN1CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000502347707 514621549 /nfs/dbraw/zinc/62/15/49/514621549.db2.gz HIGHBORKFCGCLJ-ZDUSSCGKSA-N 0 3 350.419 2.989 20 5 FFBDHN CCOc1cc(N2CCN(C[C@@H]3CCO[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000475513905 514698002 /nfs/dbraw/zinc/69/80/02/514698002.db2.gz VWGZLEIXQJSSRF-HZPDHXFCSA-N 0 3 363.458 2.931 20 5 FFBDHN CCCCN1CCCC[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000502711011 514748346 /nfs/dbraw/zinc/74/83/46/514748346.db2.gz GVMVDPQYRQVQNA-MRXNPFEDSA-N 0 3 369.487 2.836 20 5 FFBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000485348544 515004908 /nfs/dbraw/zinc/00/49/08/515004908.db2.gz LPGCGDDFLAVHEF-QWHCGFSZSA-N 0 3 367.471 2.546 20 5 FFBDHN COc1cc(CN[C@H]2CC[C@@H](OC)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000471796197 515014214 /nfs/dbraw/zinc/01/42/14/515014214.db2.gz CQGWVTAACZNJER-NWDGAFQWSA-N 0 3 360.357 2.904 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@H](c3ccccc3F)C2)c1 ZINC000503702943 515125196 /nfs/dbraw/zinc/12/51/96/515125196.db2.gz RSFSGNRUTIFDBE-HOCLYGCPSA-N 0 3 360.385 2.963 20 5 FFBDHN COc1c(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000476696898 515162581 /nfs/dbraw/zinc/16/25/81/515162581.db2.gz VVZAFWUDJXDZOG-RHSMWYFYSA-N 0 3 369.421 2.854 20 5 FFBDHN C[C@H]1C[C@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC(C)(C)C1 ZINC000462747205 515220331 /nfs/dbraw/zinc/22/03/31/515220331.db2.gz WAYUDUDCSKJKJI-KBPBESRZSA-N 0 3 369.487 2.678 20 5 FFBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000462768683 515232492 /nfs/dbraw/zinc/23/24/92/515232492.db2.gz QJMOFZDPLLLEKH-OIISXLGYSA-N 0 3 365.499 2.668 20 5 FFBDHN CCc1cc(N[C@H]2CCN(C)[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000462885087 515281217 /nfs/dbraw/zinc/28/12/17/515281217.db2.gz TWJLISKVLYLTLJ-CJNGLKHVSA-N 0 3 355.442 2.931 20 5 FFBDHN CC[C@H]1CCCCN1CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000499658234 515402529 /nfs/dbraw/zinc/40/25/29/515402529.db2.gz LNSWZOGIJCSXPH-INIZCTEOSA-N 0 3 358.442 2.930 20 5 FFBDHN COc1ccc(CNC(=O)CNC/C(C)=C\c2cccc([N+](=O)[O-])c2)cc1 ZINC000468643870 515450660 /nfs/dbraw/zinc/45/06/60/515450660.db2.gz VDKJEQFGJZLFRY-GDNBJRDFSA-N 0 3 369.421 2.913 20 5 FFBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000468695376 515474810 /nfs/dbraw/zinc/47/48/10/515474810.db2.gz SFIGHURGNOPWPS-HIFRSBDPSA-N 0 3 354.410 2.742 20 5 FFBDHN C[C@H](NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000482073735 515566863 /nfs/dbraw/zinc/56/68/63/515566863.db2.gz GNZYDGPAIGQGET-HXPMCKFVSA-N 0 3 368.393 2.500 20 5 FFBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCO[C@@H]1c1cccnc1 ZINC000492876408 515573356 /nfs/dbraw/zinc/57/33/56/515573356.db2.gz QHTAQFUKPHQPCI-XVGQJIODSA-N 0 3 370.409 2.827 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCc2cccc(Cl)c2)cc1 ZINC000459478072 515580639 /nfs/dbraw/zinc/58/06/39/515580639.db2.gz HCVWGTXXNXOJJW-UHFFFAOYSA-N 0 3 368.842 2.854 20 5 FFBDHN CC1(C)CCCN1CCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000457064436 515620120 /nfs/dbraw/zinc/62/01/20/515620120.db2.gz WMZCTGMJKHBOTK-UHFFFAOYSA-N 0 3 357.357 2.800 20 5 FFBDHN CC1(C)CCCN1CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000457074197 515629187 /nfs/dbraw/zinc/62/91/87/515629187.db2.gz LQBCUFAAMXCYSR-UHFFFAOYSA-N 0 3 360.458 2.799 20 5 FFBDHN COc1ccc(NC(=O)CN[C@H](C)CCCc2cccnc2)c([N+](=O)[O-])c1 ZINC000459643879 515717037 /nfs/dbraw/zinc/71/70/37/515717037.db2.gz OUHIXAJWIWTXNY-CQSZACIVSA-N 0 3 372.425 2.938 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)CCCc1cccnc1 ZINC000459651108 515721984 /nfs/dbraw/zinc/72/19/84/515721984.db2.gz YNYQUBAAYFXWDJ-AWEZNQCLSA-N 0 3 372.425 2.938 20 5 FFBDHN COc1ccc(NC(=O)CCN(C)Cc2cnccc2C)c([N+](=O)[O-])c1 ZINC000483009879 515880913 /nfs/dbraw/zinc/88/09/13/515880913.db2.gz AQGZLFNPRJXEFD-UHFFFAOYSA-N 0 3 358.398 2.767 20 5 FFBDHN CN(C)C1(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCC1 ZINC000474104051 515883461 /nfs/dbraw/zinc/88/34/61/515883461.db2.gz LAHBHUXQDXBOKT-UHFFFAOYSA-N 0 3 356.220 2.571 20 5 FFBDHN COc1cc(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)cc([N+](=O)[O-])c1C ZINC000478741385 515946746 /nfs/dbraw/zinc/94/67/46/515946746.db2.gz VLYPEHIAZGIEOG-QGZVFWFLSA-N 0 3 371.437 2.815 20 5 FFBDHN COC(=O)COc1ccc(CN[C@@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000474347623 516004649 /nfs/dbraw/zinc/00/46/49/516004649.db2.gz SSIKHEYECGDWMU-GFCCVEGCSA-N 0 3 358.341 2.814 20 5 FFBDHN COC(=O)COc1ccc(CNCCc2cccs2)cc1[N+](=O)[O-] ZINC000474368783 516015165 /nfs/dbraw/zinc/01/51/65/516015165.db2.gz HREAZDNLSRGHNX-UHFFFAOYSA-N 0 3 350.396 2.540 20 5 FFBDHN C[C@H](CN1CCCCC1)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000487898349 516023930 /nfs/dbraw/zinc/02/39/30/516023930.db2.gz PMPHRJDRVWDDNZ-CYBMUJFWSA-N 0 3 368.865 2.964 20 5 FFBDHN COc1c(C(=O)NC[C@H](Cc2ccccc2)N(C)C)cccc1[N+](=O)[O-] ZINC000474400265 516031223 /nfs/dbraw/zinc/03/12/23/516031223.db2.gz SHEFGSLWWGAPIX-HNNXBMFYSA-N 0 3 357.410 2.506 20 5 FFBDHN CCN1CCC[C@@H]1CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000495181692 516092550 /nfs/dbraw/zinc/09/25/50/516092550.db2.gz DMOPVSYDEUZPBV-CYBMUJFWSA-N 0 3 374.363 2.897 20 5 FFBDHN C[C@H](CO)N1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000470131026 516134815 /nfs/dbraw/zinc/13/48/15/516134815.db2.gz FNZUCTSQALXPNM-OAHLLOKOSA-N 0 3 359.426 2.743 20 5 FFBDHN CN(C)CCN(Cc1ccco1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470134650 516136197 /nfs/dbraw/zinc/13/61/97/516136197.db2.gz QVRQFAOGOFKSMF-UHFFFAOYSA-N 0 3 350.350 2.923 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000507270868 516148709 /nfs/dbraw/zinc/14/87/09/516148709.db2.gz DGBVHYYVFXXYEE-CYBMUJFWSA-N 0 3 369.487 2.692 20 5 FFBDHN O=C(NC[C@H]1CCCCN1C1CC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000470165211 516156480 /nfs/dbraw/zinc/15/64/80/516156480.db2.gz GKJYXNMPDFUDKQ-CYBMUJFWSA-N 0 3 369.368 2.943 20 5 FFBDHN CN(C)[C@@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000465450234 516157662 /nfs/dbraw/zinc/15/76/62/516157662.db2.gz ZIPDTJZCPTYAQV-SFHVURJKSA-N 0 3 356.426 2.739 20 5 FFBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@@](C)(O)C(=O)OC(C)(C)C ZINC000470208901 516172333 /nfs/dbraw/zinc/17/23/33/516172333.db2.gz VFHWQLZGARFALB-FHLIRTJZSA-N 0 3 350.415 2.680 20 5 FFBDHN CCN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000507470135 516219832 /nfs/dbraw/zinc/21/98/32/516219832.db2.gz TXTKTYVFQAQGLF-DZGCQCFKSA-N 0 3 357.414 2.616 20 5 FFBDHN CCC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC)CCN1CCOC ZINC000501771409 516220628 /nfs/dbraw/zinc/22/06/28/516220628.db2.gz FVJKDZPDPOXZFV-QGZVFWFLSA-N 0 3 351.447 2.536 20 5 FFBDHN Cc1ccc(S(=O)(=O)[N-]CCC[N@@H+](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000507568135 516247642 /nfs/dbraw/zinc/24/76/42/516247642.db2.gz QGTKGPDCOBWHLF-UHFFFAOYSA-N 0 3 369.487 2.836 20 5 FFBDHN Cc1ccc(S(=O)(=O)[N-]CCC[N@H+](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000507568135 516247651 /nfs/dbraw/zinc/24/76/51/516247651.db2.gz QGTKGPDCOBWHLF-UHFFFAOYSA-N 0 3 369.487 2.836 20 5 FFBDHN O=C(Nc1cccc(CN2CCC(O)CC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000488677004 516285375 /nfs/dbraw/zinc/28/53/75/516285375.db2.gz LCFVEPNWHWCAIP-UHFFFAOYSA-N 0 3 355.394 2.804 20 5 FFBDHN CN(c1ccccc1)c1ccc(CNC[C@@H](O)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000522962504 516361499 /nfs/dbraw/zinc/36/14/99/516361499.db2.gz HIEZYVBSAVADLM-OXQOHEQNSA-N 0 3 371.437 2.850 20 5 FFBDHN COC(=O)[C@H]1CCCC[C@@]1(C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000535466822 516367174 /nfs/dbraw/zinc/36/71/74/516367174.db2.gz ZZAZLGVHMLWNOO-RDTXWAMCSA-N 0 3 363.414 2.553 20 5 FFBDHN Cc1cc([N+](=O)[O-])cnc1NCc1ccc(OCCN2CCCC2)cc1 ZINC000517661639 516403501 /nfs/dbraw/zinc/40/35/01/516403501.db2.gz BFXWDWFVISKHMU-UHFFFAOYSA-N 0 3 356.426 2.807 20 5 FFBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(OCC2CCCCC2)CC1 ZINC000535582157 516411798 /nfs/dbraw/zinc/41/17/98/516411798.db2.gz GDHLHUATGBAYPQ-UHFFFAOYSA-N 0 3 363.458 2.818 20 5 FFBDHN COc1ccc(CNC(=O)N[C@H](C)CN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000517738099 516433094 /nfs/dbraw/zinc/43/30/94/516433094.db2.gz WGEZANITQNMRIB-ZIAGYGMSSA-N 0 3 364.446 2.523 20 5 FFBDHN CCCCN1CCCC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000523354778 516447322 /nfs/dbraw/zinc/44/73/22/516447322.db2.gz IXEYQYFSBJUTSA-CYBMUJFWSA-N 0 3 352.410 2.701 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC1(c2ccccc2)CCOCC1 ZINC000544070453 516568445 /nfs/dbraw/zinc/56/84/45/516568445.db2.gz ABUULCVURBZGNL-KRWDZBQOSA-N 0 3 372.421 2.630 20 5 FFBDHN C[C@@H](CN(C)C)Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000561432506 516580736 /nfs/dbraw/zinc/58/07/36/516580736.db2.gz SNUUMVIQFJXCGS-VIFPVBQESA-N 0 3 353.220 2.689 20 5 FFBDHN CCCC1CCC([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000524200575 516667655 /nfs/dbraw/zinc/66/76/55/516667655.db2.gz PDYAHBJOTMARJH-UHFFFAOYSA-N 0 3 369.487 2.822 20 5 FFBDHN COc1ccc([C@H](CN(C)C)NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000551541425 516750587 /nfs/dbraw/zinc/75/05/87/516750587.db2.gz QGLSWPJZHWLQSV-SFHVURJKSA-N 0 3 357.410 2.565 20 5 FFBDHN C[C@H]1C[C@H]1N1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@@H](C)C1 ZINC000561762682 516756844 /nfs/dbraw/zinc/75/68/44/516756844.db2.gz PTYKIIXRYKWZSH-GDZNZVCISA-N 0 3 356.426 2.878 20 5 FFBDHN Cc1cc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000555222034 516836819 /nfs/dbraw/zinc/83/68/19/516836819.db2.gz KBSAYOWNKQAKKH-OAHLLOKOSA-N 0 3 350.438 2.647 20 5 FFBDHN CN(C)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc(Cl)cc1 ZINC000555228966 516841045 /nfs/dbraw/zinc/84/10/45/516841045.db2.gz ACXPQLKKVPGGPD-AWEZNQCLSA-N 0 3 362.817 2.863 20 5 FFBDHN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000558859544 516973667 /nfs/dbraw/zinc/97/36/67/516973667.db2.gz DXAXLVDPFUBCAI-MRXNPFEDSA-N 0 3 358.446 2.650 20 5 FFBDHN C[C@@H]1CCCN(CCNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000525355355 517016441 /nfs/dbraw/zinc/01/64/41/517016441.db2.gz RBAYAUZYTJRZAN-MRXNPFEDSA-N 0 3 362.474 2.949 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CCc1ccccc1O ZINC000541389556 517025906 /nfs/dbraw/zinc/02/59/06/517025906.db2.gz ARVXUSAAQBYRSK-UHFFFAOYSA-N 0 3 373.409 2.812 20 5 FFBDHN COc1ccc(NC(=O)CCN(C)Cc2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000532589457 517050374 /nfs/dbraw/zinc/05/03/74/517050374.db2.gz CBJOAEUKHTUJME-UHFFFAOYSA-N 0 3 359.382 2.770 20 5 FFBDHN COc1ccc(OCCN2CCC[C@@](CO)(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000555711887 517078100 /nfs/dbraw/zinc/07/81/00/517078100.db2.gz CUYGLPWJYOEWKQ-GOSISDBHSA-N 0 3 352.431 2.713 20 5 FFBDHN C[C@H](CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1)S(C)(=O)=O ZINC000532809255 517155893 /nfs/dbraw/zinc/15/58/93/517155893.db2.gz MFXXOOLDOZFFGH-LLVKDONJSA-N 0 3 354.453 2.846 20 5 FFBDHN COc1ccc(CNC[C@H](O)COc2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000555911771 517179602 /nfs/dbraw/zinc/17/96/02/517179602.db2.gz NXAWXBDHOZINTP-INIZCTEOSA-N 0 3 360.410 2.750 20 5 FFBDHN CC(C)(C)[C@H]1C[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000515415605 517344846 /nfs/dbraw/zinc/34/48/46/517344846.db2.gz VAWUAWJWZGCWBA-CZUORRHYSA-N 0 3 370.471 2.552 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000520441905 517395059 /nfs/dbraw/zinc/39/50/59/517395059.db2.gz BYUVFUPLCGZVRE-DYVFJYSZSA-N 0 3 354.410 2.626 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(OC(C)C)CC1 ZINC000533338763 517412968 /nfs/dbraw/zinc/41/29/68/517412968.db2.gz KVEZCIWQKHZCFW-UHFFFAOYSA-N 0 3 365.430 2.821 20 5 FFBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000520760071 517501351 /nfs/dbraw/zinc/50/13/51/517501351.db2.gz KSYTXNIOIUORNK-GJZGRUSLSA-N 0 3 371.441 2.773 20 5 FFBDHN Cc1cc(N2C[C@@H](N3CCOCC3)C[C@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000553264231 517611396 /nfs/dbraw/zinc/61/13/96/517611396.db2.gz ILTWQBYCSMPYHP-ZBFHGGJFSA-N 0 3 356.426 2.751 20 5 FFBDHN CCCN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000553332850 517651401 /nfs/dbraw/zinc/65/14/01/517651401.db2.gz UANRMYFRTUNRNY-LBPRGKRZSA-N 0 3 370.247 2.962 20 5 FFBDHN CO[C@H](C)[C@@H](C)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000517000058 517967251 /nfs/dbraw/zinc/96/72/51/517967251.db2.gz MOEIYLGYBQNYHS-RKDXNWHRSA-N 0 3 364.183 2.712 20 5 FFBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000522091399 517979858 /nfs/dbraw/zinc/97/98/58/517979858.db2.gz BJUZBDKASQMFOH-CYBMUJFWSA-N 0 3 362.455 2.637 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(NC[C@H]2C[C@H](O)CN2Cc2ccccc2)c1 ZINC000534797000 518036483 /nfs/dbraw/zinc/03/64/83/518036483.db2.gz IWCBICILMYULKM-CVEARBPZSA-N 0 3 357.410 2.651 20 5 FFBDHN C[C@@H]1CN(C[C@H]2CCCN2CCOc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000557603230 518101650 /nfs/dbraw/zinc/10/16/50/518101650.db2.gz JXEBVYCAEYMYPY-SOLBZPMBSA-N 0 3 363.458 2.547 20 5 FFBDHN CN(C)[C@@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)Cc1ccccc1 ZINC000534983390 518106940 /nfs/dbraw/zinc/10/69/40/518106940.db2.gz QRIHOFIIPUSWIT-OAHLLOKOSA-N 0 3 366.421 2.979 20 5 FFBDHN Cc1ccc(CNC[C@@H](Cc2ccccc2Cl)C(N)=O)cc1[N+](=O)[O-] ZINC000539618710 518123092 /nfs/dbraw/zinc/12/30/92/518123092.db2.gz QAYRMSSSUUXMFR-OAHLLOKOSA-N 0 3 361.829 2.990 20 5 FFBDHN C[C@@H]1CN(CCN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000539814923 518166542 /nfs/dbraw/zinc/16/65/42/518166542.db2.gz YKMGWZIZLZFPTM-UZLBHIALSA-N 0 3 355.438 2.995 20 5 FFBDHN CC[C@H](C)N[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000569640881 518215184 /nfs/dbraw/zinc/21/51/84/518215184.db2.gz MRDFNZYOHJBOAK-BBRMVZONSA-N 0 3 361.398 2.812 20 5 FFBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000566836452 518223710 /nfs/dbraw/zinc/22/37/10/518223710.db2.gz KBDIYFSTHWUJIU-QGZVFWFLSA-N 0 3 360.458 2.783 20 5 FFBDHN Cc1cc(F)ccc1CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000569715878 518256090 /nfs/dbraw/zinc/25/60/90/518256090.db2.gz SUZNHBBBCMRSSI-UHFFFAOYSA-N 0 3 366.414 2.648 20 5 FFBDHN O=C1C[C@H](CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CN1C1CC1 ZINC000578540225 518257698 /nfs/dbraw/zinc/25/76/98/518257698.db2.gz REVOXOWVSJPKOZ-CYBMUJFWSA-N 0 3 355.394 2.955 20 5 FFBDHN COc1c(C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000584414209 518330166 /nfs/dbraw/zinc/33/01/66/518330166.db2.gz LWHICYBXWDGCCB-FQEVSTJZSA-N 0 3 369.421 2.998 20 5 FFBDHN CC(=O)c1ccc(OC[C@H](O)CNCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000576221135 518487588 /nfs/dbraw/zinc/48/75/88/518487588.db2.gz XPBLCZQLPDUCAK-QGZVFWFLSA-N 0 3 358.394 2.635 20 5 FFBDHN C[C@@H]1C[C@@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000567465041 518537805 /nfs/dbraw/zinc/53/78/05/518537805.db2.gz IMJVUUDFCMPWNG-DDUZABMNSA-N 0 3 358.394 2.836 20 5 FFBDHN C[C@H](CCC(C)(C)C)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000576417189 518582606 /nfs/dbraw/zinc/58/26/06/518582606.db2.gz PNUBPBKCYDMLTQ-CYBMUJFWSA-N 0 3 357.476 2.678 20 5 FFBDHN COC1CCC(C)(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000564792500 518617245 /nfs/dbraw/zinc/61/72/45/518617245.db2.gz IPJFOVMJAQUJFX-UHFFFAOYSA-N 0 3 370.471 2.553 20 5 FFBDHN COC(=O)COc1ccc(CNC2CC(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000579458676 518690517 /nfs/dbraw/zinc/69/05/17/518690517.db2.gz OPYWIDTZUGPXIP-UHFFFAOYSA-N 0 3 362.304 2.577 20 5 FFBDHN CC(=O)N1C[C@@H]2CCC[C@H](NCc3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000579519503 518718888 /nfs/dbraw/zinc/71/88/88/518718888.db2.gz MBSKCMFOYHRANX-QRTARXTBSA-N 0 3 351.834 2.985 20 5 FFBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000567954090 518799071 /nfs/dbraw/zinc/79/90/71/518799071.db2.gz OZCVCGRSRYKHNE-MRXNPFEDSA-N 0 3 370.453 2.957 20 5 FFBDHN CCN(C[C@@H]1CCCN1CC)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000573830306 518855100 /nfs/dbraw/zinc/85/51/00/518855100.db2.gz USEWGVGNXJDOPG-KRWDZBQOSA-N 0 3 358.442 2.882 20 5 FFBDHN CC(C)c1n[nH]c(C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000568143655 518893909 /nfs/dbraw/zinc/89/39/09/518893909.db2.gz DEJUITDPKYNMSY-IBGZPJMESA-N 0 3 371.441 2.836 20 5 FFBDHN C[C@H](N[C@H]1CCN(C)[C@H]1c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000574061728 518970031 /nfs/dbraw/zinc/97/00/31/518970031.db2.gz CMDPTIREVVXOPK-JVPBZIDWSA-N 0 3 368.437 2.957 20 5 FFBDHN C[C@H](N[C@@H]1CCN(C)[C@@H]1c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000574061727 518970059 /nfs/dbraw/zinc/97/00/59/518970059.db2.gz CMDPTIREVVXOPK-GDIGMMSISA-N 0 3 368.437 2.957 20 5 FFBDHN O=C(CCNCc1ccc2c(n1)CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000565829065 519153360 /nfs/dbraw/zinc/15/33/60/519153360.db2.gz SNFUHHFCMVFWSX-UHFFFAOYSA-N 0 3 354.410 2.987 20 5 FFBDHN CCc1ccc(S(=O)(=O)N(C)[C@H](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000568744803 519195089 /nfs/dbraw/zinc/19/50/89/519195089.db2.gz GFBMGVFMNBIOSU-CYBMUJFWSA-N 0 3 369.487 2.508 20 5 FFBDHN C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@H]4CN(C)C[C@H]43)cc2[N+](=O)[O-])C1 ZINC000590447614 519236160 /nfs/dbraw/zinc/23/61/60/519236160.db2.gz ZLQTZWLYMKXIPQ-SIXWZSSISA-N 0 3 372.469 2.607 20 5 FFBDHN COC(=O)c1c(Cl)c(N2CC[C@H]3CC[C@@H](C2)N3C)ccc1[N+](=O)[O-] ZINC000590583840 519275059 /nfs/dbraw/zinc/27/50/59/519275059.db2.gz GVNWHMDBNYRMRE-MNOVXSKESA-N 0 3 353.806 2.708 20 5 FFBDHN Cc1ccc(NCCCNC(=O)Nc2cccc(CN)c2)c([N+](=O)[O-])c1 ZINC000591309886 519584559 /nfs/dbraw/zinc/58/45/59/519584559.db2.gz LSYWQAMICIBCDG-UHFFFAOYSA-N 0 3 357.414 2.986 20 5 FFBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000597603520 520130304 /nfs/dbraw/zinc/13/03/04/520130304.db2.gz CXWRCLCVGHTPNA-CQSZACIVSA-N 0 3 357.414 2.541 20 5 FFBDHN CC[C@@H]1CN(C)CCCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000597605160 520132437 /nfs/dbraw/zinc/13/24/37/520132437.db2.gz NJKWFHVXFNWQBD-CQSZACIVSA-N 0 3 369.849 2.960 20 5 FFBDHN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NC[C@H]3CCCN3C)cc2[N+](=O)[O-])C1 ZINC000600273449 520171309 /nfs/dbraw/zinc/17/13/09/520171309.db2.gz VNUKBCPTSYDOIY-YQQAZPJKSA-N 0 3 374.485 2.901 20 5 FFBDHN CCOc1cc(Cn2cc(CCN3CCCCC3)nn2)ccc1[N+](=O)[O-] ZINC000603234887 520172293 /nfs/dbraw/zinc/17/22/93/520172293.db2.gz FLBOGVJNUMLFMF-UHFFFAOYSA-N 0 3 359.430 2.662 20 5 FFBDHN O=[N+]([O-])c1cc(F)c(Cn2cc(CNC3CCCCC3)nn2)c(F)c1 ZINC000603246224 520181054 /nfs/dbraw/zinc/18/10/54/520181054.db2.gz JCHRNAPTRKYKAW-UHFFFAOYSA-N 0 3 351.357 2.935 20 5 FFBDHN CC(C)Oc1cc(C(=O)N2CCC[C@]3(CCN(C)C3)C2)ccc1[N+](=O)[O-] ZINC000597710363 520189863 /nfs/dbraw/zinc/18/98/63/520189863.db2.gz LCZYVACZSIUOFI-LJQANCHMSA-N 0 3 361.442 2.940 20 5 FFBDHN O=C1CC[C@@H](CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 ZINC000594987244 520243879 /nfs/dbraw/zinc/24/38/79/520243879.db2.gz JIXGGBRDSVSDCR-AWEZNQCLSA-N 0 3 359.357 2.894 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](C(C)C)C1(CO)CC=CC1 ZINC000592178250 520247524 /nfs/dbraw/zinc/24/75/24/520247524.db2.gz PRRLDKUWBLCEFE-GOSISDBHSA-N 0 3 361.442 2.785 20 5 FFBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1c(C2CC2)cnn1C ZINC000595076117 520283230 /nfs/dbraw/zinc/28/32/30/520283230.db2.gz FERXQHQRDWHFRY-GFCCVEGCSA-N 0 3 357.414 2.713 20 5 FFBDHN O=C(NCc1cccc([N+](=O)[O-])c1)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000595233970 520365096 /nfs/dbraw/zinc/36/50/96/520365096.db2.gz CZATXHBUQBVYOL-KRWDZBQOSA-N 0 3 356.382 2.577 20 5 FFBDHN Cc1c(CNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)cccc1[N+](=O)[O-] ZINC000595246818 520369397 /nfs/dbraw/zinc/36/93/97/520369397.db2.gz QFHZMIMNEKMEDQ-GOSISDBHSA-N 0 3 370.409 2.886 20 5 FFBDHN O=[N+]([O-])c1cc(F)ccc1CN1CCC(CCN2CCOCC2)CC1 ZINC000595299441 520393336 /nfs/dbraw/zinc/39/33/36/520393336.db2.gz ZMCCKQSCTMJEDP-UHFFFAOYSA-N 0 3 351.422 2.668 20 5 FFBDHN Cc1cccc(C(=O)NCC2CCN(Cc3ccncc3)CC2)c1[N+](=O)[O-] ZINC000598062110 520404905 /nfs/dbraw/zinc/40/49/05/520404905.db2.gz JQVVRPISBGJWRV-UHFFFAOYSA-N 0 3 368.437 2.940 20 5 FFBDHN C[C@H](c1ccccc1)N1CCC(NC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000609696226 520409746 /nfs/dbraw/zinc/40/97/46/520409746.db2.gz QEXVBZIOFYQOQX-CQSZACIVSA-N 0 3 356.426 2.889 20 5 FFBDHN C[C@H](c1ccccc1)[C@@H](CO)N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000613389174 520478244 /nfs/dbraw/zinc/47/82/44/520478244.db2.gz KDLCXKDYFPSDIQ-JKIFEVAISA-N 0 3 357.410 2.676 20 5 FFBDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000604192004 520480229 /nfs/dbraw/zinc/48/02/29/520480229.db2.gz IQQNTGRAGUKRAM-QGZVFWFLSA-N 0 3 370.453 2.686 20 5 FFBDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000598195841 520486093 /nfs/dbraw/zinc/48/60/93/520486093.db2.gz UJQLNCTVXARQPG-LJQANCHMSA-N 0 3 353.422 2.984 20 5 FFBDHN CC(C)(C)n1nnc(CCN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000595526507 520529713 /nfs/dbraw/zinc/52/97/13/520529713.db2.gz SRUVJHCDENZRAJ-OAHLLOKOSA-N 0 3 358.446 2.758 20 5 FFBDHN CCCN1CC[C@H](NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000598341599 520564809 /nfs/dbraw/zinc/56/48/09/520564809.db2.gz DLQOANIIEYDNCN-AAEUAGOBSA-N 0 3 355.822 2.616 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000610181022 520570687 /nfs/dbraw/zinc/57/06/87/520570687.db2.gz QCZZRXJYTLMSJX-UHFFFAOYSA-N 0 3 353.422 2.732 20 5 FFBDHN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(CN2CCC(O)CC2)cc1 ZINC000604539058 520593623 /nfs/dbraw/zinc/59/36/23/520593623.db2.gz CMZZKLUFZBIVDA-UHFFFAOYSA-N 0 3 369.421 2.733 20 5 FFBDHN COC[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC000595684533 520648115 /nfs/dbraw/zinc/64/81/15/520648115.db2.gz OCXKDJWCHWGRAY-SFHVURJKSA-N 0 3 373.409 2.909 20 5 FFBDHN O=[N+]([O-])c1ccc2nccc(N3CCC[C@@H](N4CCOCC4)CC3)c2c1 ZINC000601188979 520679682 /nfs/dbraw/zinc/67/96/82/520679682.db2.gz DJGZZTOEQYNVQN-OAHLLOKOSA-N 0 3 356.426 2.834 20 5 FFBDHN CC[C@@H]1CN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C[C@H](C)N1 ZINC000598531618 520683915 /nfs/dbraw/zinc/68/39/15/520683915.db2.gz MQFDPWNGSNAWTF-DZGCQCFKSA-N 0 3 354.410 2.869 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]2CCC[C@@H]2Cc2cnn(C)c2)c1 ZINC000595772380 520712992 /nfs/dbraw/zinc/71/29/92/520712992.db2.gz RXUFNRFGTZRKDF-RHSMWYFYSA-N 0 3 372.425 2.616 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC([C@H]3CCCCO3)CC2)c1 ZINC000595785225 520721917 /nfs/dbraw/zinc/72/19/17/520721917.db2.gz CSYYINXGHKLDEV-PKOBYXMFSA-N 0 3 364.442 2.616 20 5 FFBDHN COc1cc(CN(C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000601620066 520868432 /nfs/dbraw/zinc/86/84/32/520868432.db2.gz FYUWMOWJNMHHOK-UHFFFAOYSA-N 0 3 359.382 2.926 20 5 FFBDHN Cc1noc(CNc2ccccc2CN2CCC(CO)CC2)c1[N+](=O)[O-] ZINC000596034372 520869491 /nfs/dbraw/zinc/86/94/91/520869491.db2.gz ZLKSILIEKIUFIE-UHFFFAOYSA-N 0 3 360.414 2.708 20 5 FFBDHN NC(=O)c1cc(NC2CCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000596055795 520882269 /nfs/dbraw/zinc/88/22/69/520882269.db2.gz OBFNSESWFBVHMS-UHFFFAOYSA-N 0 3 354.410 2.770 20 5 FFBDHN O=c1[n-]ccc(Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)c1[N+](=O)[O-] ZINC000596088241 520903867 /nfs/dbraw/zinc/90/38/67/520903867.db2.gz NHQSDXDQYAZVDA-UHFFFAOYSA-N 0 3 369.425 2.971 20 5 FFBDHN CS[C@@H]1CN(c2c(Br)cccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000596181327 520956898 /nfs/dbraw/zinc/95/68/98/520956898.db2.gz ZWABKNFUQKNYCS-VXGBXAGGSA-N 0 3 360.277 2.839 20 5 FFBDHN CC(C)N1CCN(C2CCN(Cc3c(F)cccc3[N+](=O)[O-])CC2)CC1 ZINC000611181052 521026670 /nfs/dbraw/zinc/02/66/70/521026670.db2.gz CSIDOOWHSKQUKH-UHFFFAOYSA-N 0 3 364.465 2.724 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCN([C@H]3CCC[C@@H]3O)CC2)nc1-c1ccccc1 ZINC000611181820 521027307 /nfs/dbraw/zinc/02/73/07/521027307.db2.gz KRISLMSWIFWTGK-WMZOPIPTSA-N 0 3 368.437 2.692 20 5 FFBDHN CCN(C[C@H]1CCOC1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000611205369 521036955 /nfs/dbraw/zinc/03/69/55/521036955.db2.gz YHHNUCXOBQGPBK-NWDGAFQWSA-N 0 3 355.822 2.934 20 5 FFBDHN O=C(NC1CC1)c1ccc(NC[C@H]2CCN2C2CCCC2)c([N+](=O)[O-])c1 ZINC000599165783 521065765 /nfs/dbraw/zinc/06/57/65/521065765.db2.gz SLAOALGYGAJYJY-MRXNPFEDSA-N 0 3 358.442 2.916 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@]1(CO)CCc2ccccc21 ZINC000593653173 521132912 /nfs/dbraw/zinc/13/29/12/521132912.db2.gz VJMRHHBVEREWHM-HXUWFJFHSA-N 0 3 356.422 2.960 20 5 FFBDHN Cn1ncc2c1CC(C)(C)CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000596597943 521156797 /nfs/dbraw/zinc/15/67/97/521156797.db2.gz GSMHZGLEGVFYCT-UHFFFAOYSA-N 0 3 371.441 2.741 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000596624210 521172169 /nfs/dbraw/zinc/17/21/69/521172169.db2.gz IAGSWQKFXYCDSC-CYBMUJFWSA-N 0 3 350.419 2.845 20 5 FFBDHN O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)c1c[n-]nc1[N+](=O)[O-] ZINC000593839648 521241635 /nfs/dbraw/zinc/24/16/35/521241635.db2.gz VBHWAFRNUZYHAI-UHFFFAOYSA-N 0 3 361.427 2.758 20 5 FFBDHN CC[C@@H](CN1CCCC1)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000611645139 521263770 /nfs/dbraw/zinc/26/37/70/521263770.db2.gz WSRWJQINCRSNST-LBPRGKRZSA-N 0 3 357.357 2.800 20 5 FFBDHN O=[N+]([O-])c1ccn(CCNC2(c3cccc(OC(F)(F)F)c3)CC2)n1 ZINC000594034792 521364215 /nfs/dbraw/zinc/36/42/15/521364215.db2.gz IQUDQOKEWKXISJ-UHFFFAOYSA-N 0 3 356.304 2.969 20 5 FFBDHN CCC1(N2CCOCC2)CCN(Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000599664842 521377234 /nfs/dbraw/zinc/37/72/34/521377234.db2.gz RBYFLOANXYDJPN-UHFFFAOYSA-N 0 3 363.458 2.680 20 5 FFBDHN O=[N+]([O-])c1ccc(CCNCc2nnc3ccc(C(F)(F)F)cn32)cc1 ZINC000602590090 521427877 /nfs/dbraw/zinc/42/78/77/521427877.db2.gz BYEDLPIKYCSLEL-UHFFFAOYSA-N 0 3 365.315 2.989 20 5 FFBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000594195166 521461844 /nfs/dbraw/zinc/46/18/44/521461844.db2.gz CNIPVYMHZYGHGK-WBVHZDCISA-N 0 3 354.410 2.890 20 5 FFBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@@H]1CCCN1CCCO ZINC000602672044 521472011 /nfs/dbraw/zinc/47/20/11/521472011.db2.gz CPRYILCDMXJZOS-AWEZNQCLSA-N 0 3 361.364 2.550 20 5 FFBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3ccc(O[C@H]4CCOC4)cc3)CC2)n1 ZINC000597119736 521519431 /nfs/dbraw/zinc/51/94/31/521519431.db2.gz XSRDJVPGABPLMK-SFHVURJKSA-N 0 3 372.425 2.796 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000602804517 521541636 /nfs/dbraw/zinc/54/16/36/521541636.db2.gz IWKMNVLLIXDYKB-SFHVURJKSA-N 0 3 358.398 2.612 20 5 FFBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H](Cn3cnc4ccccc43)C2)n1 ZINC000602816381 521549886 /nfs/dbraw/zinc/54/98/86/521549886.db2.gz ILXQACFPIVQTST-HNNXBMFYSA-N 0 3 354.414 2.553 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](c1cccs1)C1(CO)CCC1 ZINC000602837572 521562804 /nfs/dbraw/zinc/56/28/04/521562804.db2.gz OXWUBFLUUIJYPG-HNNXBMFYSA-N 0 3 350.444 2.655 20 5 FFBDHN O=[N+]([O-])c1cc(CN2CCCN(c3ccncc3)CC2)c2c(c1)COCO2 ZINC000602846487 521566845 /nfs/dbraw/zinc/56/68/45/521566845.db2.gz QPDJVYRNPDRSSR-UHFFFAOYSA-N 0 3 370.409 2.569 20 5 FFBDHN COc1cc(CNC[C@H](c2ccnn2C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000615943171 521584207 /nfs/dbraw/zinc/58/42/07/521584207.db2.gz NNNQXUWNPKSOIQ-AWEZNQCLSA-N 0 3 362.430 2.875 20 5 FFBDHN CCOC(=O)[C@@]1(C)CCC[C@H]1NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000597236197 521589941 /nfs/dbraw/zinc/58/99/41/521589941.db2.gz PBVUKDUFVIIZCY-AEFFLSMTSA-N 0 3 364.398 2.578 20 5 FFBDHN COc1cnccc1N1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000619516679 521604910 /nfs/dbraw/zinc/60/49/10/521604910.db2.gz ZKHVBOGZXPEEMF-UHFFFAOYSA-N 0 3 372.425 2.590 20 5 FFBDHN O=[N+]([O-])c1cc2ccccc2nc1N1CCCN(C[C@H]2CCCO2)CC1 ZINC000616055630 521612769 /nfs/dbraw/zinc/61/27/69/521612769.db2.gz FFDJJPHWHSHTTF-MRXNPFEDSA-N 0 3 356.426 2.834 20 5 FFBDHN CC[NH+](CC)[C@@H](CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)CC(C)C ZINC000821180343 607345984 /nfs/dbraw/zinc/34/59/84/607345984.db2.gz BRHMJAAKGARSBL-CQSZACIVSA-N 0 3 361.450 2.943 20 5 FFBDHN O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826500242 608515075 /nfs/dbraw/zinc/51/50/75/608515075.db2.gz PQAXCKOWNPZEQD-QGZVFWFLSA-N 0 3 364.409 2.985 20 5 FFBDHN O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826500242 608515076 /nfs/dbraw/zinc/51/50/76/608515076.db2.gz PQAXCKOWNPZEQD-QGZVFWFLSA-N 0 3 364.409 2.985 20 5 FFBDHN O=[N+]([O-])c1cc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)nc2[nH]ccc21 ZINC001164732951 720412595 /nfs/dbraw/zinc/41/25/95/720412595.db2.gz OWDBUASTGOEGRH-JKSUJKDBSA-N 0 3 364.409 2.719 20 5 FFBDHN CCC1(N2CCOCC2)CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000860029493 730473281 /nfs/dbraw/zinc/47/32/81/730473281.db2.gz JQSOPIYKQBPRPI-UHFFFAOYSA-N 0 3 351.422 2.811 20 5 FFBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1COC2(CCOCC2)O1 ZINC000872058525 731724802 /nfs/dbraw/zinc/72/48/02/731724802.db2.gz VMKDCBJPEABOPW-JSGCOSHPSA-N 0 3 368.455 2.889 20 5 FFBDHN CC(C)[C@H]1CN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CCN1C ZINC000872737936 731823258 /nfs/dbraw/zinc/82/32/58/731823258.db2.gz XEOJTRWIYSUNBC-OAHLLOKOSA-N 0 3 351.838 2.827 20 5 FFBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000885882495 733724844 /nfs/dbraw/zinc/72/48/44/733724844.db2.gz IMJRKOXSXRIFPK-AWEZNQCLSA-N 0 3 367.833 2.540 20 5 FFBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000893601818 734725348 /nfs/dbraw/zinc/72/53/48/734725348.db2.gz JLIOJJYXIARYQW-LSDHHAIUSA-N 0 3 352.822 2.626 20 5 FFBDHN O=C(NCCN1CCCC1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000900011396 735588749 /nfs/dbraw/zinc/58/87/49/735588749.db2.gz RQMQDLSDSNGPCL-UHFFFAOYSA-N 0 3 350.177 2.866 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC1(C2(O)CCOCC2)CC1 ZINC000903346635 736078361 /nfs/dbraw/zinc/07/83/61/736078361.db2.gz LSGISVRHZXJKOJ-CYBMUJFWSA-N 0 3 350.415 2.576 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000758790070 736521265 /nfs/dbraw/zinc/52/12/65/736521265.db2.gz FVIFAYDQCBUTDZ-LSDHHAIUSA-N 0 3 369.874 2.900 20 5 FFBDHN C[C@@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C)C1 ZINC000778231252 738365270 /nfs/dbraw/zinc/36/52/70/738365270.db2.gz FKQDNZCHWLLUPM-STQMWFEESA-N 0 3 355.385 2.923 20 5 FFBDHN O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])C1CCCN(C2CC2)C1=O ZINC000924056995 738365299 /nfs/dbraw/zinc/36/52/99/738365299.db2.gz YSCPVRLDBVBCRI-ZDUSSCGKSA-N 0 3 352.774 2.692 20 5 FFBDHN CN1C[C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)[C@H]2C1 ZINC000930767460 739159922 /nfs/dbraw/zinc/15/99/22/739159922.db2.gz GOKOQHWBMVSXDQ-RNCFNFMXSA-N 0 3 358.320 2.781 20 5 FFBDHN CC(COC(=O)c1ccc(Cl)c(I)c1)[N+](=O)[O-] ZINC000813104026 741677489 /nfs/dbraw/zinc/67/74/89/741677489.db2.gz WIYINWVCIVYOEN-LURJTMIESA-N 0 3 369.542 2.767 20 5 FFBDHN Cc1sc2ncnc(SCCC(=O)OCC(C)[N+](=O)[O-])c2c1C ZINC000813106770 741677840 /nfs/dbraw/zinc/67/78/40/741677840.db2.gz GXDFBLZXALLPDD-MRVPVSSYSA-N 0 3 355.441 2.999 20 5 FFBDHN CC(COC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N+](=O)[O-] ZINC000813110022 741677925 /nfs/dbraw/zinc/67/79/25/741677925.db2.gz YUKYPRHNQKFQNP-QMMMGPOBSA-N 0 3 365.264 2.624 20 5 FFBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1ccc(Br)cc1 ZINC000813109508 741678013 /nfs/dbraw/zinc/67/80/13/741678013.db2.gz KBBDSXCSEOVWNS-SECBINFHSA-N 0 3 368.187 2.765 20 5 FFBDHN CC(C)c1nc(C(=O)OCC(C)[N+](=O)[O-])nn1-c1ccccc1Cl ZINC000813111761 741678392 /nfs/dbraw/zinc/67/83/92/741678392.db2.gz WZGWREKILTVHLH-SNVBAGLBSA-N 0 3 352.778 2.866 20 5 FFBDHN Cc1sc2nc(C)nc(SCC(=O)OCC(C)[N+](=O)[O-])c2c1C ZINC000813115735 741678928 /nfs/dbraw/zinc/67/89/28/741678928.db2.gz YVMPECWEVRJLKI-ZETCQYMHSA-N 0 3 355.441 2.917 20 5 FFBDHN CCCN(C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCN(C)C1 ZINC000826677503 743421405 /nfs/dbraw/zinc/42/14/05/743421405.db2.gz MSDACGXUEPYNQS-AWEZNQCLSA-N 0 3 354.838 2.874 20 5 FFBDHN C[C@H]1CN(CCCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H](C)O1 ZINC000829801480 745262013 /nfs/dbraw/zinc/26/20/13/745262013.db2.gz QGOMKRHTMJNHLW-STQMWFEESA-N 0 3 369.849 2.867 20 5 FFBDHN CC(C)(C)OC(=O)[C@]1(C)CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000839106002 746775830 /nfs/dbraw/zinc/77/58/30/746775830.db2.gz ZGIAADXVXYTMFI-MAUKXSAKSA-N 0 3 350.415 2.682 20 5 FFBDHN CO[C@@H]1COCC[C@@H]1CC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845875694 748342274 /nfs/dbraw/zinc/34/22/74/748342274.db2.gz BDYJPAQIXMXFON-SAUZDDAKSA-N 0 3 355.362 2.517 20 5 FFBDHN COC(=O)c1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c[nH]1 ZINC000845884090 748344578 /nfs/dbraw/zinc/34/45/78/748344578.db2.gz XHUQRWGWYRSFLZ-YMTOWFKASA-N 0 3 350.302 2.504 20 5 FFBDHN C[C@H](CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[NH+](C)C ZINC000849429231 749149977 /nfs/dbraw/zinc/14/99/77/749149977.db2.gz LNTLMKWRIPLVKP-MRVPVSSYSA-N 0 3 370.258 2.520 20 5 FFBDHN Cc1cc(NCc2ccc(-c3nn[nH]n3)cc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826271605 947786520 /nfs/dbraw/zinc/78/65/20/947786520.db2.gz YQINKISMFXQNMM-UHFFFAOYSA-N 0 3 361.365 2.666 20 5 FFBDHN CN(C)CCN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCCC1 ZINC000134589056 959917620 /nfs/dbraw/zinc/91/76/20/959917620.db2.gz FFPPRRFBQAEZMD-UHFFFAOYSA-N 0 3 358.442 2.951 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000134886706 960091074 /nfs/dbraw/zinc/09/10/74/960091074.db2.gz ZJZYVWCVHAPDSK-CZUORRHYSA-N 0 3 354.410 2.691 20 5 FFBDHN CN(C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCCN(C)C1 ZINC000894477401 965405497 /nfs/dbraw/zinc/40/54/97/965405497.db2.gz PYFSUVKYHMQBHT-ZDUSSCGKSA-N 0 3 374.363 2.849 20 5 FFBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000874828467 1013910079 /nfs/dbraw/zinc/91/00/79/1013910079.db2.gz GZEHSYMZCCZGIV-IAGOWNOFSA-N 0 3 366.421 2.966 20 5 FFBDHN COc1cccc(N2CC[C@@H](NCc3ccc(O)c(OC)c3[N+](=O)[O-])C2)c1 ZINC000892860496 970333729 /nfs/dbraw/zinc/33/37/29/970333729.db2.gz HCPDDGUYQWTAHY-CQSZACIVSA-N 0 3 373.409 2.686 20 5 FFBDHN Cc1noc(C[C@@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)n1 ZINC000759932891 975339157 /nfs/dbraw/zinc/33/91/57/975339157.db2.gz XHUJPIPRCBUHRC-QZTJIDSGSA-N 0 3 368.393 2.893 20 5 FFBDHN Cc1ncccc1OC[C@H]1CCCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000842173442 976715128 /nfs/dbraw/zinc/71/51/28/976715128.db2.gz PSEPUHRJAQKREQ-QZTJIDSGSA-N 0 3 357.410 2.875 20 5 FFBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC000899199348 977009639 /nfs/dbraw/zinc/00/96/39/977009639.db2.gz HDNQCHXQMVLBMW-JKSUJKDBSA-N 0 3 354.410 2.639 20 5 FFBDHN CCCCNC(=O)C1(NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000178872247 978256835 /nfs/dbraw/zinc/25/68/35/978256835.db2.gz OHFWNCKKZUWAIB-QGZVFWFLSA-N 0 3 363.458 2.837 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC([C@@H](O)c2ccnn2C)CC1 ZINC000877647805 1014660626 /nfs/dbraw/zinc/66/06/26/1014660626.db2.gz UFUBXYKJPGVHND-LJQANCHMSA-N 0 3 358.442 2.891 20 5 FFBDHN CN(C)C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)c2ccccc2O1 ZINC000760823319 984533226 /nfs/dbraw/zinc/53/32/26/984533226.db2.gz QXHVYLCWSUOLMS-CYBMUJFWSA-N 0 3 359.357 2.703 20 5 FFBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000919763097 990725598 /nfs/dbraw/zinc/72/55/98/990725598.db2.gz QXXNIQWKMCUEAV-CZUORRHYSA-N 0 3 354.410 2.742 20 5 FFBDHN O=C(CN1CCC2(CCC2)CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000796515627 1015652542 /nfs/dbraw/zinc/65/25/42/1015652542.db2.gz YUVQKWMBTWSMCD-UHFFFAOYSA-N 0 3 372.469 2.510 20 5 FFBDHN Cc1cc(C)cc([C@H](O)CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000072665351 993255899 /nfs/dbraw/zinc/25/58/99/993255899.db2.gz VCKYFGMYZQNWQK-FUHWJXTLSA-N 0 3 356.426 2.826 20 5 FFBDHN CC(COC(=O)[C@H]1CCCC[C@H]1C(=O)N1c2ccccc2C[C@H]1C)[N+](=O)[O-] ZINC000813110500 995625258 /nfs/dbraw/zinc/62/52/58/995625258.db2.gz BZTHALNIOUJWTA-SRABZTEZSA-N 0 3 374.437 2.979 20 5 FFBDHN CN(C)[C@H]1Cc2ccccc2N(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000731466495 997934769 /nfs/dbraw/zinc/93/47/69/997934769.db2.gz SOOQDQYTHDNMGJ-INIZCTEOSA-N 0 3 368.437 2.916 20 5 FFBDHN CC(C)(C)N1CC[C@@H]1COC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000845733624 998640356 /nfs/dbraw/zinc/64/03/56/998640356.db2.gz XOFGZQGIQSWABE-CQSZACIVSA-N 0 3 365.386 2.852 20 5 FFBDHN COCCn1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c(C)n1 ZINC000845874243 998676944 /nfs/dbraw/zinc/67/69/44/998676944.db2.gz GMPPZTUARSJAEG-BLLLJJGKSA-N 0 3 365.361 2.540 20 5 FFBDHN CC([C@H](OC(=O)CCNC(=O)OC(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845878148 998677876 /nfs/dbraw/zinc/67/78/76/998677876.db2.gz URGPXGPBGCMBCO-NHYWBVRUSA-N 0 3 370.377 2.990 20 5 FFBDHN CC(C)CN1C[C@H](C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])CC1=O ZINC000845877465 998677944 /nfs/dbraw/zinc/67/79/44/998677944.db2.gz RXWXLVQIJOJMEW-OGHNNQOOSA-N 0 3 366.389 2.580 20 5 FFBDHN CCN1CCN(c2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000741891005 999746921 /nfs/dbraw/zinc/74/69/21/999746921.db2.gz RMIQUHQXABSLBV-UHFFFAOYSA-N 0 3 368.437 2.918 20 5 FFBDHN CS(=O)(=O)c1cccc(C2CCN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169054832 1000019026 /nfs/dbraw/zinc/01/90/26/1000019026.db2.gz NTKKTSPJOGZQLA-PBHICJAKSA-N 0 3 366.483 2.715 20 5 FFBDHN NCc1ccc2c(n1)N(c1ccc(-c3cccc([N+](=O)[O-])c3)nn1)CCC2 ZINC001169591586 1000060240 /nfs/dbraw/zinc/06/02/40/1000060240.db2.gz XIZZCOBWJVMJTM-UHFFFAOYSA-N 0 3 362.393 2.990 20 5 FFBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)N(CCN1CCCC1)c1ccccc1 ZINC000787022332 1001654098 /nfs/dbraw/zinc/65/40/98/1001654098.db2.gz OTEMOCUBXSUWPB-UHFFFAOYSA-N 0 3 354.410 2.920 20 5 FFBDHN CC1(C(=O)OCCn2cc([N+](=O)[O-])cn2)CCN(Cc2ccccc2)CC1 ZINC000772712001 1001753780 /nfs/dbraw/zinc/75/37/80/1001753780.db2.gz RZYUIGAMLJXYMR-UHFFFAOYSA-N 0 3 372.425 2.637 20 5 FFBDHN Cc1c(C(=O)NC[C@H]2N(C)CCCC2(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000791060780 1002566097 /nfs/dbraw/zinc/56/60/97/1002566097.db2.gz MTJXKMFKLVGGNM-OAHLLOKOSA-N 0 3 364.402 2.662 20 5 FFBDHN CN(CCCN1CCN(C)CC1)c1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001185403583 1002933300 /nfs/dbraw/zinc/93/33/00/1002933300.db2.gz JDMZLFJPMPRMLZ-UHFFFAOYSA-N 0 3 361.273 2.975 20 5 FFBDHN COc1ccc(C[C@H](C)N[C@H]2Cc3ccccc3NC2=O)c([N+](=O)[O-])c1 ZINC001170296644 1003090414 /nfs/dbraw/zinc/09/04/14/1003090414.db2.gz HFMPJJPELQXQCP-SJCJKPOMSA-N 0 3 355.394 2.687 20 5 FFBDHN CCOC(=O)c1cccc(CN[C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])n1 ZINC001170305601 1003094932 /nfs/dbraw/zinc/09/49/32/1003094932.db2.gz NRYHOLGYQYWPFG-CYBMUJFWSA-N 0 3 373.409 2.896 20 5 FFBDHN COc1ccc(C[C@H](C)N2CCC(NC(=O)C3CC3)CC2)c([N+](=O)[O-])c1 ZINC001170347492 1003134299 /nfs/dbraw/zinc/13/42/99/1003134299.db2.gz RGGWDYHYHQNCGX-ZDUSSCGKSA-N 0 3 361.442 2.525 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1ncccc1C ZINC001198640315 1004688486 /nfs/dbraw/zinc/68/84/86/1004688486.db2.gz BECDSSXWHBFIKQ-CYBMUJFWSA-N 0 3 358.398 2.986 20 5 FFBDHN CN(CCCN(C)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)Cc1ccncc1 ZINC000808273056 1004794770 /nfs/dbraw/zinc/79/47/70/1004794770.db2.gz VWAHLBZLTBAVRK-TWGQIWQCSA-N 0 3 368.437 2.984 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3COC4(CCOCC4)O3)o2)cc1 ZINC001201676943 1005247811 /nfs/dbraw/zinc/24/78/11/1005247811.db2.gz VWGOMKURXPUWFA-QGZVFWFLSA-N 0 3 374.393 2.867 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000776276454 1005343323 /nfs/dbraw/zinc/34/33/23/1005343323.db2.gz NDJBTNCZWHGJGC-FQEVSTJZSA-N 0 3 373.428 2.975 20 5 FFBDHN O=C(NCCCN(Cc1ccc(F)cc1Cl)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001490372165 1005700933 /nfs/dbraw/zinc/70/09/33/1005700933.db2.gz LWMSHTHFNUSMNA-GDBMZVCRSA-N 0 3 369.824 2.615 20 5 FFBDHN Cc1cc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)cc(N2CCCC2)n1 ZINC000819320639 1008112289 /nfs/dbraw/zinc/11/22/89/1008112289.db2.gz HMJQEOPWSHBGFO-GOSISDBHSA-N 0 3 356.426 2.722 20 5 FFBDHN C[C@@H](NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC000823961482 1009281496 /nfs/dbraw/zinc/28/14/96/1009281496.db2.gz FTHRGXAKNAXKCE-PXAZEXFGSA-N 0 3 357.414 2.990 20 5 FFBDHN C[C@H]1[C@H](NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000823939081 1009287484 /nfs/dbraw/zinc/28/74/84/1009287484.db2.gz QUEZEVZAQKGBCF-SUMWQHHRSA-N 0 3 369.425 2.962 20 5 FFBDHN CN(C)CCN(Cc1ccccc1)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865040811 1010691950 /nfs/dbraw/zinc/69/19/50/1010691950.db2.gz ZNGMEAXPDNSYLZ-UHFFFAOYSA-N 0 3 359.401 2.867 20 5 FFBDHN CCNC(=O)OC[C@H]1CCCCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000796170018 1011234821 /nfs/dbraw/zinc/23/48/21/1011234821.db2.gz DSINJSWFEJKYOH-MRXNPFEDSA-N 0 3 365.430 2.964 20 5 FFBDHN O=[N+]([O-])c1cc(F)c(N2CCC(N3CC[C@]34CCOC4)CC2)c(F)c1 ZINC001173017430 1012188877 /nfs/dbraw/zinc/18/88/77/1012188877.db2.gz DWFPVDDGIMWCGP-QGZVFWFLSA-N 0 3 353.369 2.707 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(-c2nc(-c3ccc(CN(C)C)cc3)no2)n1 ZINC001212698219 1012194510 /nfs/dbraw/zinc/19/45/10/1012194510.db2.gz HFKVUNKYFLYXNE-UHFFFAOYSA-N 0 3 355.354 2.777 20 5 FFBDHN O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCN(C2CC2)CC1 ZINC000801872395 1019470121 /nfs/dbraw/zinc/47/01/21/1019470121.db2.gz RWVKQRCIMKYCOJ-UHFFFAOYSA-N 0 3 372.381 2.562 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000931057741 1020301335 /nfs/dbraw/zinc/30/13/35/1020301335.db2.gz QHZWMOFTVMAEDY-HNNXBMFYSA-N 0 3 362.430 2.586 20 5 FFBDHN COc1ccccc1N1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000934178433 1021159068 /nfs/dbraw/zinc/15/90/68/1021159068.db2.gz ZQJHCBNLSBMEHH-LJQANCHMSA-N 0 3 371.437 2.849 20 5 FFBDHN CN1CCN(C(C)(C)CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC001116454698 1021226832 /nfs/dbraw/zinc/22/68/32/1021226832.db2.gz CQOPHPYYOPCUMC-UHFFFAOYSA-N 0 3 358.389 2.634 20 5 FFBDHN Cc1c(C(=O)NC[C@H](c2ccccc2)N(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000016599409 1022281582 /nfs/dbraw/zinc/28/15/82/1022281582.db2.gz FHNISVKGJXRVOH-QGZVFWFLSA-N 0 3 372.381 2.844 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)ccc1CNC[C@@]1(N2CCOCC2)CCSC1 ZINC001120020562 1023210134 /nfs/dbraw/zinc/21/01/34/1023210134.db2.gz NFCJYPXPDCBVNM-INIZCTEOSA-N 0 3 371.890 2.546 20 5 FFBDHN CCC[C@H]1CN(c2nnc([C@@H](C)[N+](=O)[O-])n2C)CCN1Cc1ccccc1 ZINC001121296131 1023692887 /nfs/dbraw/zinc/69/28/87/1023692887.db2.gz GBJYUWLQWPIVII-WBVHZDCISA-N 0 3 372.473 2.644 20 5 FFBDHN Cc1cc(NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC001123360960 1023761755 /nfs/dbraw/zinc/76/17/55/1023761755.db2.gz STWADWSGAHOEBW-AWEZNQCLSA-N 0 3 362.430 2.620 20 5 FFBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000757511885 1023825682 /nfs/dbraw/zinc/82/56/82/1023825682.db2.gz TVQXUWJHGBDUGR-IBWPDUFMSA-N 0 3 351.406 2.999 20 5 FFBDHN CN1CCN(CCCNc2ccc(OC(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC001161708758 1028290317 /nfs/dbraw/zinc/29/03/17/1028290317.db2.gz VGILDUCEXSJKEG-UHFFFAOYSA-N 0 3 362.352 2.543 20 5 FFBDHN O=[N+]([O-])c1ccc(C(F)(F)NC[C@@H]2Cc3ccccc3CN2)nc1Cl ZINC001163271615 1028864235 /nfs/dbraw/zinc/86/42/35/1028864235.db2.gz DZWKYCUTSMBRMF-LBPRGKRZSA-N 0 3 368.771 2.997 20 5 FFBDHN O=[N+]([O-])c1c(Cl)nc(C2CC2)nc1N[C@H]1CCCC[C@@]12CNCCO2 ZINC001163646847 1029007884 /nfs/dbraw/zinc/00/78/84/1029007884.db2.gz XXRXRXBOPRGBGO-MEDUHNTESA-N 0 3 367.837 2.629 20 5 FFBDHN O=[N+]([O-])c1c[nH]c2ccc(N3CCCN(Cc4ccncc4)CC3)nc21 ZINC001163826869 1029078054 /nfs/dbraw/zinc/07/80/54/1029078054.db2.gz MKUWXGBBPSIGGV-UHFFFAOYSA-N 0 3 352.398 2.578 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCCN(Cc2ccncc2)CC1 ZINC001163827830 1029081004 /nfs/dbraw/zinc/08/10/04/1029081004.db2.gz WCNBHBNWVHQOBU-UHFFFAOYSA-N 0 3 364.409 2.645 20 5 FFBDHN O=[N+]([O-])c1cc(-c2ccc(-n3cnc4c3CNCC4)nn2)ccc1Cl ZINC001164317412 1029243912 /nfs/dbraw/zinc/24/39/12/1029243912.db2.gz SCGHKBPRTFCHCZ-UHFFFAOYSA-N 0 3 356.773 2.537 20 5 FFBDHN Cc1ccc(CN2CC[C@@H](NC(=O)Nc3ccc(N)c([N+](=O)[O-])c3)C2)cc1 ZINC001219452466 1033649547 /nfs/dbraw/zinc/64/95/47/1033649547.db2.gz OXIGGLIXGPEQTI-MRXNPFEDSA-N 0 3 369.425 2.881 20 5 FFBDHN CC(C)N1CCC[C@H]1C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001536567955 1070008753 /nfs/dbraw/zinc/00/87/53/1070008753.db2.gz MUMULDYDLUBSKX-ZDUSSCGKSA-N 0 3 370.247 2.846 20 5 FFBDHN COc1cc(CN(C)C)cc(F)c1O[C@H](C)Cn1c(C)ncc1[N+](=O)[O-] ZINC001234242454 1036971818 /nfs/dbraw/zinc/97/18/18/1036971818.db2.gz BNFKDGMZBQYTRC-LLVKDONJSA-N 0 3 366.393 2.777 20 5 FFBDHN COc1cc(N2CCC(n3c(C)nc4c3CNCC4)CC2)ccc1[N+](=O)[O-] ZINC001256100595 1038384790 /nfs/dbraw/zinc/38/47/90/1038384790.db2.gz KVHKPOPDFAJOCT-UHFFFAOYSA-N 0 3 371.441 2.596 20 5 FFBDHN COC(=O)[C@@H](O)CNc1cc2nc3cc(N(C)C)ccc3cc2cc1C ZINC001252433374 1039537031 /nfs/dbraw/zinc/53/70/31/1039537031.db2.gz LWFSGYBJKMMRBQ-IBGZPJMESA-N 0 3 353.422 2.708 20 5 FFBDHN Cc1ccc(CN2CCCN(c3c(C(N)=O)cccc3[N+](=O)[O-])CC2)cc1 ZINC001325759403 1046631451 /nfs/dbraw/zinc/63/14/51/1046631451.db2.gz RWLLIHOUJLKBSL-UHFFFAOYSA-N 0 3 368.437 2.714 20 5 FFBDHN Cc1cc([C@@H](N)CC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc(Cl)n1 ZINC001326059956 1046748322 /nfs/dbraw/zinc/74/83/22/1046748322.db2.gz GCXGXQXHASVLTB-INIZCTEOSA-N 0 3 374.828 2.926 20 5 FFBDHN O=C(Nc1ccc2c(c1)OCCNC2)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001340843119 1051181236 /nfs/dbraw/zinc/18/12/36/1051181236.db2.gz JZXXIHOMWQPNJS-DLBZAZTESA-N 0 3 353.378 2.819 20 5 FFBDHN Cc1n[nH]c(C(=O)N(C)C[C@H]2CCCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC001302849473 1051213023 /nfs/dbraw/zinc/21/30/23/1051213023.db2.gz NQMCJFMCWSAZLM-MRXNPFEDSA-N 0 3 371.441 2.753 20 5 FFBDHN Cc1[nH]nc(C(=O)N(C)C[C@H]2CCCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC001302849473 1051213037 /nfs/dbraw/zinc/21/30/37/1051213037.db2.gz NQMCJFMCWSAZLM-MRXNPFEDSA-N 0 3 371.441 2.753 20 5 FFBDHN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC[C@@H]1NCCc2ccccc21 ZINC001343488004 1052262272 /nfs/dbraw/zinc/26/22/72/1052262272.db2.gz TVQPYEHQQVHMIM-KRWDZBQOSA-N 0 3 357.385 2.670 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN(C2CCCC2)[C@@H](C)C1 ZINC001308080244 1052401325 /nfs/dbraw/zinc/40/13/25/1052401325.db2.gz VNXYWYLCQVJJQW-HNNXBMFYSA-N 0 3 360.458 2.790 20 5 FFBDHN C[C@](CO)(Cc1ccc(F)cc1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001308116849 1052410302 /nfs/dbraw/zinc/41/03/02/1052410302.db2.gz FIZKAFZGWJAFJP-GOSISDBHSA-N 0 3 358.373 2.694 20 5 FFBDHN COC(=O)c1ccc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])o1 ZINC001343838192 1052445740 /nfs/dbraw/zinc/44/57/40/1052445740.db2.gz OSIAHFAWWABAOM-LKFCYVNXSA-N 0 3 351.286 2.769 20 5 FFBDHN Cc1cccc(C[C@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC001308671699 1052484481 /nfs/dbraw/zinc/48/44/81/1052484481.db2.gz YFHLLEUOCQQHMN-HNNXBMFYSA-N 0 3 362.451 2.898 20 5 FFBDHN Cc1ccnc(-c2n[nH]c([C@H](C)NCCc3ccc([N+](=O)[O-])cc3)n2)c1 ZINC001308720626 1052491207 /nfs/dbraw/zinc/49/12/07/1052491207.db2.gz MXXUQZIMXOCHJU-ZDUSSCGKSA-N 0 3 352.398 2.977 20 5 FFBDHN Cc1cc(S(=O)(=O)[N-]CCC[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])s1 ZINC001309015619 1052539387 /nfs/dbraw/zinc/53/93/87/1052539387.db2.gz CYGKFYPXRRDKIV-NSHDSACASA-N 0 3 361.489 2.508 20 5 FFBDHN Cc1cc(S(=O)(=O)[N-]CCC[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])s1 ZINC001309015619 1052539394 /nfs/dbraw/zinc/53/93/94/1052539394.db2.gz CYGKFYPXRRDKIV-NSHDSACASA-N 0 3 361.489 2.508 20 5 FFBDHN Cc1ccc(CN2CC[C@@H](NC(=O)Cc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001455007860 1059669563 /nfs/dbraw/zinc/66/95/63/1059669563.db2.gz DQKRHNYIDWQFAP-GOSISDBHSA-N 0 3 353.422 2.836 20 5 FFBDHN O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1CN1CC[C@@H](C2CCOCC2)C1 ZINC000848481750 1060117152 /nfs/dbraw/zinc/11/71/52/1060117152.db2.gz CQRJQHWOQYASOZ-MJGOQNOKSA-N 0 3 373.453 2.617 20 5 FFBDHN O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1CN1CCC[C@H]1[C@H]1CCCOC1 ZINC000848490365 1060146439 /nfs/dbraw/zinc/14/64/39/1060146439.db2.gz ZZLOHHNZLUQQRG-WDSOQIARSA-N 0 3 373.453 2.759 20 5 FFBDHN CO[C@H](Cc1ccccc1)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001459312515 1060745898 /nfs/dbraw/zinc/74/58/98/1060745898.db2.gz LCWDAQSCIKDNQN-HXUWFJFHSA-N 0 3 355.438 2.975 20 5 FFBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCCC[C@H]2N2CCOCC2)c(Cl)c1 ZINC001459961335 1060857647 /nfs/dbraw/zinc/85/76/47/1060857647.db2.gz IMVJVDWVZOFOQT-IAGOWNOFSA-N 0 3 353.850 2.981 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCc1csc(N(C)C)n1 ZINC001461182248 1061241399 /nfs/dbraw/zinc/24/13/99/1061241399.db2.gz UZCMTEXSTDYDSU-UHFFFAOYSA-N 0 3 350.444 2.848 20 5 FFBDHN COc1c(O)ccc(CNC[C@@H](CO)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC001462557844 1061670094 /nfs/dbraw/zinc/67/00/94/1061670094.db2.gz ZFIWIQVUENYKMT-ZDUSSCGKSA-N 0 3 366.801 2.828 20 5 FFBDHN COc1c([O-])ccc(C[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC001462557844 1061670107 /nfs/dbraw/zinc/67/01/07/1061670107.db2.gz ZFIWIQVUENYKMT-ZDUSSCGKSA-N 0 3 366.801 2.828 20 5 FFBDHN O=C(c1ccc([N+](=O)[O-])s1)N1C[C@H](C[C@@H]2COCCN2)c2ccccc21 ZINC001523288238 1062424604 /nfs/dbraw/zinc/42/46/04/1062424604.db2.gz WYTNUFAHQMBKHF-QWHCGFSZSA-N 0 3 373.434 2.779 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001465900088 1063256730 /nfs/dbraw/zinc/25/67/30/1063256730.db2.gz NFOFCXZTVPPUMS-MEDUHNTESA-N 0 3 354.410 2.543 20 5 FFBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCCCN1CCO ZINC001466686086 1063521014 /nfs/dbraw/zinc/52/10/14/1063521014.db2.gz CUHHAHJEKWZHLV-LBPRGKRZSA-N 0 3 370.837 2.525 20 5 FFBDHN CN(C)Cc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c(F)c1 ZINC001468970617 1064068060 /nfs/dbraw/zinc/06/80/60/1064068060.db2.gz RCAGUXZNJPOZAU-UHFFFAOYSA-N 0 3 361.329 2.777 20 5 FFBDHN Nc1c(Cl)cc(C(=O)NC[C@H]2CCN2C2CCCCC2)cc1[N+](=O)[O-] ZINC001470176732 1064269303 /nfs/dbraw/zinc/26/93/03/1064269303.db2.gz HTPWIOCTIVUMMM-CYBMUJFWSA-N 0 3 366.849 2.967 20 5 FFBDHN O=C(CNC1([C@@H]2CCCO2)CCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001473888001 1065407588 /nfs/dbraw/zinc/40/75/88/1065407588.db2.gz BXDHSWMAFVTOCT-AWEZNQCLSA-N 0 3 353.806 2.878 20 5 FFBDHN Cc1c(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc(CN)n1C ZINC001579518770 1078639055 /nfs/dbraw/zinc/63/90/55/1078639055.db2.gz AOXVNVOOFUSQNZ-UHFFFAOYSA-N 0 3 350.806 2.626 20 5 FFBDHN CCOc1cc(NC(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)ccc1[N+](=O)[O-] ZINC001563011512 1075096343 /nfs/dbraw/zinc/09/63/43/1075096343.db2.gz FRIVKVUUNWZTAX-HIFRSBDPSA-N 0 3 368.459 2.503 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001556098828 1075700381 /nfs/dbraw/zinc/70/03/81/1075700381.db2.gz ZLXFLOFEBDPKCL-KDOFPFPSSA-N 0 3 371.412 2.913 20 5 FFBDHN CN(CCOc1cccc([N+](=O)[O-])c1)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC001560177267 1076241855 /nfs/dbraw/zinc/24/18/55/1076241855.db2.gz QUSBMDPJCYTMCH-OAHLLOKOSA-N 0 3 365.430 2.915 20 5 FFBDHN CCCN1CCC[C@H]1C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001589277047 1080460188 /nfs/dbraw/zinc/46/01/88/1080460188.db2.gz PTWIIPGFABPDRF-ZDUSSCGKSA-N 0 3 370.247 2.848 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCc2ccccc2[C@@H]1CO ZINC000268073647 251366538 /nfs/dbraw/zinc/36/65/38/251366538.db2.gz DHMYIJOAHGRUAX-IBGZPJMESA-N 0 3 369.421 2.824 20 5 FFBDHN O=[N+]([O-])c1ccccc1C[C@H](NCCS(=O)(=O)c1ccccc1)C1CC1 ZINC000268823923 251394658 /nfs/dbraw/zinc/39/46/58/251394658.db2.gz SQKVZLDCYDDCTM-SFHVURJKSA-N 0 3 374.462 2.979 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000272443179 252039225 /nfs/dbraw/zinc/03/92/25/252039225.db2.gz FBFFLLULWLRFDN-AWEZNQCLSA-N 0 3 369.487 2.562 20 5 FFBDHN CN1CC[C@@H]2CCN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000272671398 252098445 /nfs/dbraw/zinc/09/84/45/252098445.db2.gz TXMRMUWAYZAQBB-IUODEOHRSA-N 0 3 367.833 2.570 20 5 FFBDHN C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000272752248 252121262 /nfs/dbraw/zinc/12/12/62/252121262.db2.gz FBSYNZPCNGNNRZ-SNVBAGLBSA-N 0 3 368.231 2.738 20 5 FFBDHN Cc1c(C(=O)N[C@H](C)C2=CCN(C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000273033239 252197335 /nfs/dbraw/zinc/19/73/35/252197335.db2.gz VFMSUUKAYJLZJI-GFCCVEGCSA-N 0 3 362.386 2.500 20 5 FFBDHN COc1ccc(NC(=O)N(C)[C@H](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000273470415 252312594 /nfs/dbraw/zinc/31/25/94/252312594.db2.gz JCFJAJDONHEVGC-GFCCVEGCSA-N 0 3 350.419 2.797 20 5 FFBDHN CC(C)N1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000276294459 256087825 /nfs/dbraw/zinc/08/78/25/256087825.db2.gz MHJQGPSNJNRFSZ-CYBMUJFWSA-N 0 3 355.460 2.531 20 5 FFBDHN Cc1c(NC(=O)NCCCN2CCCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000277517011 256206373 /nfs/dbraw/zinc/20/63/73/256206373.db2.gz OZGHORLHGTUGQZ-ZDUSSCGKSA-N 0 3 350.419 2.526 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000278024595 256268186 /nfs/dbraw/zinc/26/81/86/256268186.db2.gz QIOVHQUZPHPBDK-UHFFFAOYSA-N 0 3 353.422 2.732 20 5 FFBDHN Cc1ccc(NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000278807133 256350342 /nfs/dbraw/zinc/35/03/42/256350342.db2.gz RYJAZQTZEUGOPI-CQSZACIVSA-N 0 3 362.430 2.620 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000278824614 256352256 /nfs/dbraw/zinc/35/22/56/256352256.db2.gz IYRNHUQHDGZBQZ-CQSZACIVSA-N 0 3 362.430 2.620 20 5 FFBDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000285865969 257008560 /nfs/dbraw/zinc/00/85/60/257008560.db2.gz BFWJXYXMUMRTGW-MRXNPFEDSA-N 0 3 373.409 2.645 20 5 FFBDHN CC(=O)c1cc(N2CCC(N3CCN(C(C)C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000286057385 257018145 /nfs/dbraw/zinc/01/81/45/257018145.db2.gz AFEMPSBPFPEKQC-UHFFFAOYSA-N 0 3 374.485 2.792 20 5 FFBDHN C[C@H](N[C@@H]1CCC[C@H]1CCO)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000286261626 257028093 /nfs/dbraw/zinc/02/80/93/257028093.db2.gz STFUFWYPCMGJMP-COPLHBTASA-N 0 3 355.822 2.716 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H](c2ccncc2)C1 ZINC000289346541 257275708 /nfs/dbraw/zinc/27/57/08/257275708.db2.gz MNSBGCTWCYPPMI-IAGOWNOFSA-N 0 3 357.410 2.609 20 5 FFBDHN COc1ccc(C[C@@H](CO)CNCc2ccc(C)c([N+](=O)[O-])c2)cc1O ZINC000289547089 257286678 /nfs/dbraw/zinc/28/66/78/257286678.db2.gz XHLNBCFHGLLYPM-MRXNPFEDSA-N 0 3 360.410 2.558 20 5 FFBDHN Cc1ccc([C@H](CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)N2CCOCC2)o1 ZINC000293609399 257554076 /nfs/dbraw/zinc/55/40/76/257554076.db2.gz GNGJDHXFQCMVHT-KDOFPFPSSA-N 0 3 374.441 2.803 20 5 FFBDHN Cc1c(CO)cc([N+](=O)[O-])c(NC2CCN(C(C)C)CC2)c1[N+](=O)[O-] ZINC000301085435 258023814 /nfs/dbraw/zinc/02/38/14/258023814.db2.gz KZQWBNHYEJWVDZ-UHFFFAOYSA-N 0 3 352.391 2.588 20 5 FFBDHN CNC(=O)c1ccc(N2CCN(C3CCC(C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000301284617 258039506 /nfs/dbraw/zinc/03/95/06/258039506.db2.gz LIEYWAWRYLYUTB-UHFFFAOYSA-N 0 3 360.458 2.655 20 5 FFBDHN CCN1CCN([C@@H](C)CNc2cc(C)nc3c2cccc3[N+](=O)[O-])CC1 ZINC000302047123 258084343 /nfs/dbraw/zinc/08/43/43/258084343.db2.gz YRGVETCRLCELEX-HNNXBMFYSA-N 0 3 357.458 2.889 20 5 FFBDHN C[C@@H]1CCC[C@@](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)(N(C)C)C1 ZINC000302632113 258107136 /nfs/dbraw/zinc/10/71/36/258107136.db2.gz JLKSGGMQSTYZBH-CXAGYDPISA-N 0 3 369.487 2.921 20 5 FFBDHN CCc1nn(C)c(NC[C@H]2CN(Cc3ccccc3)CCCO2)c1[N+](=O)[O-] ZINC000302685296 258108164 /nfs/dbraw/zinc/10/81/64/258108164.db2.gz AACLLPRRBGJMNP-INIZCTEOSA-N 0 3 373.457 2.594 20 5 FFBDHN CN(C)[C@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)c1ccc(F)cc1 ZINC000301614189 258058461 /nfs/dbraw/zinc/05/84/61/258058461.db2.gz HWCPBWZLXDJAER-MRXNPFEDSA-N 0 3 374.372 2.780 20 5 FFBDHN Cc1nc(NCc2ccc(CN3CCN(C)CC3)cc2)ccc1[N+](=O)[O-] ZINC000301634225 258059869 /nfs/dbraw/zinc/05/98/69/258059869.db2.gz KDYQDMCBBQUYDI-UHFFFAOYSA-N 0 3 355.442 2.658 20 5 FFBDHN Cc1cc(N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)ncc1[N+](=O)[O-] ZINC000301719976 258064852 /nfs/dbraw/zinc/06/48/52/258064852.db2.gz MDEMIHVKTZXYHK-IAGOWNOFSA-N 0 3 356.426 2.593 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@H](OCCN2CCCCC2)C1 ZINC000301826054 258069443 /nfs/dbraw/zinc/06/94/43/258069443.db2.gz OUROXKIQARQIPY-AWEZNQCLSA-N 0 3 354.838 2.724 20 5 FFBDHN CCN1C[C@H](C)N(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000330554590 258165433 /nfs/dbraw/zinc/16/54/33/258165433.db2.gz GIDZHFJTJWHNGW-NEPJUHHUSA-N 0 3 354.838 2.601 20 5 FFBDHN CS[C@H]1CN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C[C@H]1N(C)C ZINC000331079778 258176929 /nfs/dbraw/zinc/17/69/29/258176929.db2.gz YKMPXSKXLUWNON-CABCVRRESA-N 0 3 352.460 2.721 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@H]1N(C)C ZINC000331473376 258187750 /nfs/dbraw/zinc/18/77/50/258187750.db2.gz KVIYIUIWOLMNNJ-IUODEOHRSA-N 0 3 365.480 2.927 20 5 FFBDHN CCN1CCC(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000161915544 509163795 /nfs/dbraw/zinc/16/37/95/509163795.db2.gz KYSKKVZTTAWIBN-UHFFFAOYSA-N 0 3 356.220 2.571 20 5 FFBDHN CN(C)CCOc1ccc(NC(=O)CNc2ccccc2[N+](=O)[O-])cc1 ZINC000065872550 506383843 /nfs/dbraw/zinc/38/38/43/506383843.db2.gz CCBNZWHKNPHCJP-UHFFFAOYSA-N 0 3 358.398 2.586 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000065302331 506284505 /nfs/dbraw/zinc/28/45/05/506284505.db2.gz CYVPPUKSAMLXOP-ZDUSSCGKSA-N 0 3 350.419 2.845 20 5 FFBDHN C[C@H]1CCCCN1CCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000053515220 506395932 /nfs/dbraw/zinc/39/59/32/506395932.db2.gz XOFSENCWEFDEOW-AWEZNQCLSA-N 0 3 371.441 2.600 20 5 FFBDHN CCCCNC(=O)[C@H]1CC[C@H](C)N(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000066474331 506530527 /nfs/dbraw/zinc/53/05/27/506530527.db2.gz SKXQGIPMWDDVTL-HOTGVXAUSA-N 0 3 363.458 2.990 20 5 FFBDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000066725626 506623155 /nfs/dbraw/zinc/62/31/55/506623155.db2.gz LEXHCTJZHFWJPZ-UHFFFAOYSA-N 0 3 373.457 2.600 20 5 FFBDHN CC(C)(C)CCN1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000055933497 506891688 /nfs/dbraw/zinc/89/16/88/506891688.db2.gz COXHTRFDSFUFOY-UHFFFAOYSA-N 0 3 374.485 2.538 20 5 FFBDHN CN(C)[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)Cc1ccccc1 ZINC000056203383 506961142 /nfs/dbraw/zinc/96/11/42/506961142.db2.gz HNXABIZJUMAAHA-INIZCTEOSA-N 0 3 366.421 2.979 20 5 FFBDHN O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000056479239 507026012 /nfs/dbraw/zinc/02/60/12/507026012.db2.gz MPPLYQWHPRFYME-UHFFFAOYSA-N 0 3 369.425 2.707 20 5 FFBDHN COc1ccc(CC(=O)NCc2ccccc2CN(C)C)cc1[N+](=O)[O-] ZINC000067901226 507047238 /nfs/dbraw/zinc/04/72/38/507047238.db2.gz UYQIWRRAKSDYFP-UHFFFAOYSA-N 0 3 357.410 2.524 20 5 FFBDHN COc1ccc(CC(=O)N2CCC[C@H]2CN2CCCCC2)cc1[N+](=O)[O-] ZINC000068132050 507122474 /nfs/dbraw/zinc/12/24/74/507122474.db2.gz XZAJIHPHAQSHOY-INIZCTEOSA-N 0 3 361.442 2.623 20 5 FFBDHN C[C@@H]1CCCN(c2ccc(C(=O)N(C)C3CCN(C)CC3)cc2[N+](=O)[O-])C1 ZINC000068192783 507144180 /nfs/dbraw/zinc/14/41/80/507144180.db2.gz SJVZZHBXUOGATB-OAHLLOKOSA-N 0 3 374.485 2.997 20 5 FFBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000068386564 507212633 /nfs/dbraw/zinc/21/26/33/507212633.db2.gz IOBKQKDMVPZSOY-AWEZNQCLSA-N 0 3 373.457 2.735 20 5 FFBDHN O=C(CCN1CCC([C@H]2CCOC2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000373427513 512326033 /nfs/dbraw/zinc/32/60/33/512326033.db2.gz TXGFINTYXWKIGZ-AWEZNQCLSA-N 0 3 365.405 2.811 20 5 FFBDHN Cc1cc(C(=O)NCC2CCN(c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000070928559 507664299 /nfs/dbraw/zinc/66/42/99/507664299.db2.gz VFEHQXFGDLCAPR-UHFFFAOYSA-N 0 3 354.410 2.945 20 5 FFBDHN O=[N+]([O-])c1cc(Br)cnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000062984531 507689173 /nfs/dbraw/zinc/68/91/73/507689173.db2.gz VMTATPMSQCSXSX-GFCCVEGCSA-N 0 3 355.236 2.817 20 5 FFBDHN CCN1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)c(C)c2)CC1 ZINC000051867448 507788807 /nfs/dbraw/zinc/78/88/07/507788807.db2.gz QGSVPAYSUDGEIU-UHFFFAOYSA-N 0 3 357.414 2.626 20 5 FFBDHN COc1cc(NC[C@H]2C[C@H](O)CN2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000089644759 507853153 /nfs/dbraw/zinc/85/31/53/507853153.db2.gz XBUAPUCIIBYBSQ-SJORKVTESA-N 0 3 357.410 2.651 20 5 FFBDHN COc1cc(NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000089644761 507853625 /nfs/dbraw/zinc/85/36/25/507853625.db2.gz XBUAPUCIIBYBSQ-DLBZAZTESA-N 0 3 357.410 2.651 20 5 FFBDHN Cc1cnc(N(C)C2CCN(CCc3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000078656583 507894348 /nfs/dbraw/zinc/89/43/48/507894348.db2.gz WMNVROLWDZNVID-UHFFFAOYSA-N 0 3 355.442 2.837 20 5 FFBDHN Cn1ccnc1C[C@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000090003544 507899629 /nfs/dbraw/zinc/89/96/29/507899629.db2.gz MCQFXCCAJKFLAQ-CYBMUJFWSA-N 0 3 355.398 2.924 20 5 FFBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(COc2ccccc2)CC1 ZINC000090519201 507924671 /nfs/dbraw/zinc/92/46/71/507924671.db2.gz GKNLRMFGHYBSDJ-UHFFFAOYSA-N 0 3 357.410 2.548 20 5 FFBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(c2c[nH]c3ncccc23)CC1 ZINC000090554342 507927503 /nfs/dbraw/zinc/92/75/03/507927503.db2.gz DPFXBZYLUHOUBY-UHFFFAOYSA-N 0 3 367.409 2.512 20 5 FFBDHN COCCN1CCCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000080948442 508116542 /nfs/dbraw/zinc/11/65/42/508116542.db2.gz XVTPMWMCPUWEDZ-UHFFFAOYSA-N 0 3 358.236 2.516 20 5 FFBDHN C[C@H]1CC(C)(C)C[C@@](CO)(NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000080899236 508109582 /nfs/dbraw/zinc/10/95/82/508109582.db2.gz NXPZMEZJZKMWOB-LIRRHRJNSA-N 0 3 363.458 2.725 20 5 FFBDHN CCc1ccc([C@@H]2CCCCCN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000075765727 508133033 /nfs/dbraw/zinc/13/30/33/508133033.db2.gz LPWLQSAWIQDKDK-RDJZCZTQSA-N 0 3 362.430 2.925 20 5 FFBDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000081121245 508139423 /nfs/dbraw/zinc/13/94/23/508139423.db2.gz GDSLUZUIXGYXHD-IBGZPJMESA-N 0 3 353.422 2.870 20 5 FFBDHN COc1ccccc1C[C@H](C)N(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000075896383 508142152 /nfs/dbraw/zinc/14/21/52/508142152.db2.gz KQKPZJQNADDTID-YJBOKZPZSA-N 0 3 374.437 2.906 20 5 FFBDHN CCc1nn(C)c(NCC2(N3CCSCC3)CCCC2)c1[N+](=O)[O-] ZINC000094135388 508170760 /nfs/dbraw/zinc/17/07/60/508170760.db2.gz AXSFZGITGMKLKJ-UHFFFAOYSA-N 0 3 353.492 2.664 20 5 FFBDHN CC(C)OCCN1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000083063810 508235716 /nfs/dbraw/zinc/23/57/16/508235716.db2.gz DVULTGZCGZOAIZ-UHFFFAOYSA-N 0 3 350.419 2.606 20 5 FFBDHN COc1cc(C[NH2+]CCCc2nc3ccccc3n2C)c([N+](=O)[O-])cc1[O-] ZINC000076901019 508261230 /nfs/dbraw/zinc/26/12/30/508261230.db2.gz LSPUMAJBTYPRTL-UHFFFAOYSA-N 0 3 370.409 2.918 20 5 FFBDHN COc1ccccc1C(C)(C)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000103484106 508314893 /nfs/dbraw/zinc/31/48/93/508314893.db2.gz VLVHQBSNAFSPMK-OAHLLOKOSA-N 0 3 360.410 2.868 20 5 FFBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000114642782 508333590 /nfs/dbraw/zinc/33/35/90/508333590.db2.gz DLZRVUODTBARDZ-IBGZPJMESA-N 0 3 353.422 2.918 20 5 FFBDHN C[C@@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)N1CCC(C)CC1 ZINC000087136608 508339113 /nfs/dbraw/zinc/33/91/13/508339113.db2.gz SCWMYFGRFPVHRQ-HNNXBMFYSA-N 0 3 360.458 2.783 20 5 FFBDHN CN(C)CCN(Cc1ccccn1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087320669 508347261 /nfs/dbraw/zinc/34/72/61/508347261.db2.gz DWTJUOYESXSDDK-UHFFFAOYSA-N 0 3 356.426 2.513 20 5 FFBDHN CCOC(=O)c1ccnc(NC[C@H](C)N2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000077928735 508392725 /nfs/dbraw/zinc/39/27/25/508392725.db2.gz ABURXHSMVUAFAU-STQMWFEESA-N 0 3 350.419 2.699 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCCN(C)C2)cc1SC ZINC000115438376 508394539 /nfs/dbraw/zinc/39/45/39/508394539.db2.gz OTAVYXZRLGDDGR-GFCCVEGCSA-N 0 3 367.471 2.739 20 5 FFBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000152289565 508416393 /nfs/dbraw/zinc/41/63/93/508416393.db2.gz MAWCOWWGLXPZCS-AWEZNQCLSA-N 0 3 357.414 2.849 20 5 FFBDHN CN(C)CCN(C(=O)CCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000116123616 508474764 /nfs/dbraw/zinc/47/47/64/508474764.db2.gz ZHJLBWHIRZVWAF-UHFFFAOYSA-N 0 3 356.426 2.992 20 5 FFBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000152737927 508505439 /nfs/dbraw/zinc/50/54/39/508505439.db2.gz JGDWDJRHRYZJLL-MRXNPFEDSA-N 0 3 358.442 2.753 20 5 FFBDHN C[C@H]1C[C@H](N(C)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CCN1C ZINC000122832987 508593468 /nfs/dbraw/zinc/59/34/68/508593468.db2.gz WSQARMJTRPPPTF-DOTOQJQBSA-N 0 3 374.485 2.752 20 5 FFBDHN CC1CCN(c2ccc(C(=O)N(C)[C@H]3CCCN(C)C3)cc2[N+](=O)[O-])CC1 ZINC000153610766 508607545 /nfs/dbraw/zinc/60/75/45/508607545.db2.gz YFWHILWOPLMSDG-KRWDZBQOSA-N 0 3 374.485 2.997 20 5 FFBDHN COc1ccc2c(c1)CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000128534459 508607562 /nfs/dbraw/zinc/60/75/62/508607562.db2.gz GDTSKJSUMBGHNH-UHFFFAOYSA-N 0 3 355.394 2.990 20 5 FFBDHN Cc1c(C(=O)NCc2ccccc2OCCN(C)C)cccc1[N+](=O)[O-] ZINC000122924032 508608181 /nfs/dbraw/zinc/60/81/81/508608181.db2.gz YEAHIASAQNRZLE-UHFFFAOYSA-N 0 3 357.410 2.774 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000122926219 508608298 /nfs/dbraw/zinc/60/82/98/508608298.db2.gz CQSBEFIQOWDZSH-INIZCTEOSA-N 0 3 372.425 2.898 20 5 FFBDHN COc1ccccc1[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000157904030 508629968 /nfs/dbraw/zinc/62/99/68/508629968.db2.gz DTFQBMSTOLGKIX-WBVHZDCISA-N 0 3 372.421 2.833 20 5 FFBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)N1CCC(C)CC1 ZINC000128831930 508649457 /nfs/dbraw/zinc/64/94/57/508649457.db2.gz IXNNSHGDKKTIEQ-AWEZNQCLSA-N 0 3 356.426 2.993 20 5 FFBDHN COc1cc(CNCC(C)(C)CO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000136087476 508669005 /nfs/dbraw/zinc/66/90/05/508669005.db2.gz YQYFWGNWGHSIKO-UHFFFAOYSA-N 0 3 366.336 2.653 20 5 FFBDHN COc1ccc(OCCCN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000118866016 508687575 /nfs/dbraw/zinc/68/75/75/508687575.db2.gz NYERRJDHMDISIL-HNNXBMFYSA-N 0 3 372.425 2.954 20 5 FFBDHN Cc1c([C@H](C)NCc2cccnc2N2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000158482830 508710860 /nfs/dbraw/zinc/71/08/60/508710860.db2.gz BIYFVRHCDVXSTL-INIZCTEOSA-N 0 3 369.469 2.901 20 5 FFBDHN CC[C@H](NCc1cccnc1N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000158506370 508714757 /nfs/dbraw/zinc/71/47/57/508714757.db2.gz WEVLQDDCMGPGIR-IBGZPJMESA-N 0 3 369.469 2.983 20 5 FFBDHN CC1CCN([C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])c2cccs2)CC1 ZINC000158940775 508771583 /nfs/dbraw/zinc/77/15/83/508771583.db2.gz GEMKLOXBQUFXPY-LBPRGKRZSA-N 0 3 363.443 2.582 20 5 FFBDHN C[C@H]1C[C@@H](N(C)C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000124068952 508778962 /nfs/dbraw/zinc/77/89/62/508778962.db2.gz ABLFHMQMMMCBHJ-BBRMVZONSA-N 0 3 371.441 2.550 20 5 FFBDHN CCOC(=O)CC1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000130387181 508816212 /nfs/dbraw/zinc/81/62/12/508816212.db2.gz ZWFGJWGEOZMSCL-UHFFFAOYSA-N 0 3 363.414 2.589 20 5 FFBDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000154708963 508839279 /nfs/dbraw/zinc/83/92/79/508839279.db2.gz IWHQMOZHCVMGQU-INIZCTEOSA-N 0 3 371.441 2.521 20 5 FFBDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000154708963 508839281 /nfs/dbraw/zinc/83/92/81/508839281.db2.gz IWHQMOZHCVMGQU-INIZCTEOSA-N 0 3 371.441 2.521 20 5 FFBDHN CN(CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000124643111 508863293 /nfs/dbraw/zinc/86/32/93/508863293.db2.gz HTRYOOOUSRVLNG-UHFFFAOYSA-N 0 3 359.401 2.915 20 5 FFBDHN C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000155187659 508943348 /nfs/dbraw/zinc/94/33/48/508943348.db2.gz TUSJQJDTSJKFTQ-CYBMUJFWSA-N 0 3 369.425 2.527 20 5 FFBDHN O=C(NC1CCN(C2CC2)CC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000120329584 508974119 /nfs/dbraw/zinc/97/41/19/508974119.db2.gz RFUMDLKTSZWSDC-UHFFFAOYSA-N 0 3 358.442 2.896 20 5 FFBDHN CN(C)CCn1ccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000125603215 509005222 /nfs/dbraw/zinc/00/52/22/509005222.db2.gz OBYXALSXLREXLC-UHFFFAOYSA-N 0 3 372.429 2.549 20 5 FFBDHN CN(C)CCN(Cc1ccco1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000125658461 509012879 /nfs/dbraw/zinc/01/28/79/509012879.db2.gz XCHVWONFETWFHX-UHFFFAOYSA-N 0 3 370.409 2.802 20 5 FFBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000155782065 509071014 /nfs/dbraw/zinc/07/10/14/509071014.db2.gz PNQYHKLJFKINJB-OAHLLOKOSA-N 0 3 367.409 2.896 20 5 FFBDHN CN(C)C[C@](C)(O)CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000133048231 509108792 /nfs/dbraw/zinc/10/87/92/509108792.db2.gz LAFLCDNDAUWDRA-LJQANCHMSA-N 0 3 357.410 2.550 20 5 FFBDHN CCOC(=O)c1ccnc(NC[C@@H](C(C)C)N2CCCC2)c1[N+](=O)[O-] ZINC000133281850 509142455 /nfs/dbraw/zinc/14/24/55/509142455.db2.gz AQPQSSJSJSVYKP-AWEZNQCLSA-N 0 3 350.419 2.699 20 5 FFBDHN CNC(=O)c1ccc(N(CCN(C)C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000161918025 509164600 /nfs/dbraw/zinc/16/46/00/509164600.db2.gz IOMQAWHDALRCBC-UHFFFAOYSA-N 0 3 356.426 2.523 20 5 FFBDHN COc1cc(NC2CCN(CCOC(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000121570526 509178761 /nfs/dbraw/zinc/17/87/61/509178761.db2.gz DDILEEAAKCSHBL-UHFFFAOYSA-N 0 3 367.446 2.913 20 5 FFBDHN C[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1COc2ccccc21 ZINC000185566463 509240841 /nfs/dbraw/zinc/24/08/41/509240841.db2.gz NMIGNNCACCKLJS-SUMWQHHRSA-N 0 3 367.405 2.638 20 5 FFBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176004348 509268642 /nfs/dbraw/zinc/26/86/42/509268642.db2.gz XBPQWHLJSFMMEP-GWCFXTLKSA-N 0 3 370.247 2.770 20 5 FFBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC1CCN(C)CC1 ZINC000264244275 509407745 /nfs/dbraw/zinc/40/77/45/509407745.db2.gz WBIAWSRXUUHQMF-CYBMUJFWSA-N 0 3 351.472 2.876 20 5 FFBDHN CC(C)C1CCC([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000236587731 509460826 /nfs/dbraw/zinc/46/08/26/509460826.db2.gz ZJNSFJYPFXDLQO-UHFFFAOYSA-N 0 3 369.487 2.678 20 5 FFBDHN O=[N+]([O-])c1ccccc1CNC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000192357659 509480388 /nfs/dbraw/zinc/48/03/88/509480388.db2.gz GMSVPQZUJDRPMX-IBGZPJMESA-N 0 3 355.438 2.976 20 5 FFBDHN CCCC[C@H](CN)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000236900286 509529743 /nfs/dbraw/zinc/52/97/43/509529743.db2.gz KTRGGWNXVATTGW-OAHLLOKOSA-N 0 3 351.450 2.788 20 5 FFBDHN COc1ccc(COC[C@@H](O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173356443 509550557 /nfs/dbraw/zinc/55/05/57/509550557.db2.gz RSNJFKYBUXDTRX-KSSFIOAISA-N 0 3 360.410 2.832 20 5 FFBDHN Cc1cc([N+](=O)[O-])cnc1NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000264516314 509574571 /nfs/dbraw/zinc/57/45/71/509574571.db2.gz YZXOXOUICWKSSA-UHFFFAOYSA-N 0 3 356.426 2.867 20 5 FFBDHN C[C@@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@H]1CN ZINC000237515653 509667025 /nfs/dbraw/zinc/66/70/25/509667025.db2.gz JMLSFIHNEOBUAU-QRWLVFNGSA-N 0 3 363.461 2.741 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)CC[C@@H]2CCCCN2C)cc1C ZINC000173667897 509709321 /nfs/dbraw/zinc/70/93/21/509709321.db2.gz JQIZYUOBFLULIS-HNNXBMFYSA-N 0 3 369.487 2.707 20 5 FFBDHN NC(=O)C1(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000180100518 509751548 /nfs/dbraw/zinc/75/15/48/509751548.db2.gz OTVNWJMMTIWLDQ-GOSISDBHSA-N 0 3 369.421 2.556 20 5 FFBDHN CC(C)CCOC1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000193108884 509783655 /nfs/dbraw/zinc/78/36/55/509783655.db2.gz FHQCFJNCFLRGEI-KRWDZBQOSA-N 0 3 366.458 2.862 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000268183521 509801616 /nfs/dbraw/zinc/80/16/16/509801616.db2.gz LXOGJEQWMGNUEF-NOZJJQNGSA-N 0 3 357.332 2.826 20 5 FFBDHN CN(CCN(C)C1CC1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000186717717 509869793 /nfs/dbraw/zinc/86/97/93/509869793.db2.gz AJJWSRZJRZTPBR-UHFFFAOYSA-N 0 3 356.220 2.524 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CN1C1CC1 ZINC000177154109 509905239 /nfs/dbraw/zinc/90/52/39/509905239.db2.gz OPHPKQDLLZYTGE-GOEBONIOSA-N 0 3 372.469 2.553 20 5 FFBDHN COc1cccc(COC[C@H](O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180420010 509917321 /nfs/dbraw/zinc/91/73/21/509917321.db2.gz YCCADIWHYKVOKR-KBXCAEBGSA-N 0 3 360.410 2.832 20 5 FFBDHN CC(C)[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1Cl ZINC000183704226 509935992 /nfs/dbraw/zinc/93/59/92/509935992.db2.gz QCRHAQLZYWQWSZ-CJNGLKHVSA-N 0 3 352.822 2.793 20 5 FFBDHN C[C@@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180476304 509943262 /nfs/dbraw/zinc/94/32/62/509943262.db2.gz LTMGKYZULGHCIY-LLVKDONJSA-N 0 3 357.357 2.800 20 5 FFBDHN C[C@@H](CN1CCN(C)CC1)N[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180497663 509954958 /nfs/dbraw/zinc/95/49/58/509954958.db2.gz TZPSKPPEJSMHOR-UWJYYQICSA-N 0 3 368.481 2.910 20 5 FFBDHN Cc1nc(N(C)C2CCN(CCc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000268481311 509960515 /nfs/dbraw/zinc/96/05/15/509960515.db2.gz LNWSGSIMVMKMGL-UHFFFAOYSA-N 0 3 355.442 2.837 20 5 FFBDHN CCN1CC[C@H]2CC[C@@H](C1)N2Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000177342758 510004465 /nfs/dbraw/zinc/00/44/65/510004465.db2.gz NFYQEVJANZQXSK-ZBFHGGJFSA-N 0 3 357.414 2.703 20 5 FFBDHN Cc1c(C(=O)N(C)C[C@@H]2CCCN(C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000265361956 510013906 /nfs/dbraw/zinc/01/39/06/510013906.db2.gz ZWVONHXTWHOIRS-CYBMUJFWSA-N 0 3 364.402 2.534 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCN2CCC(OC[C@@H]3CCCO3)CC2)cc1 ZINC000177463607 510074608 /nfs/dbraw/zinc/07/46/08/510074608.db2.gz FYNWIEQQVYVGSA-SFHVURJKSA-N 0 3 350.415 2.634 20 5 FFBDHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000245675452 510078090 /nfs/dbraw/zinc/07/80/90/510078090.db2.gz HCPPXYHMOGMXAA-IINYFYTJSA-N 0 3 370.247 2.816 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CN1CCNC[C@H]1c1ccccc1OC ZINC000261838685 510083940 /nfs/dbraw/zinc/08/39/40/510083940.db2.gz UFDRZRITHBCXSK-KRWDZBQOSA-N 0 3 357.410 2.759 20 5 FFBDHN Cc1n[nH]c(C)c1[C@H]1CCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000245716652 510104065 /nfs/dbraw/zinc/10/40/65/510104065.db2.gz QILUOPAPUCFFIS-NVXWUHKLSA-N 0 3 360.414 2.512 20 5 FFBDHN Cn1ccnc1[C@H]1CNCCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000262003935 510145616 /nfs/dbraw/zinc/14/56/16/510145616.db2.gz LNVDDFJTKDWPQP-QGZVFWFLSA-N 0 3 367.409 2.735 20 5 FFBDHN COc1ccccc1[C@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000265631345 510147538 /nfs/dbraw/zinc/14/75/38/510147538.db2.gz DTFQBMSTOLGKIX-DOTOQJQBSA-N 0 3 372.421 2.833 20 5 FFBDHN CCN1CCN(c2cccc(NC(=O)c3cc([N+](=O)[O-])cnc3C)c2)CC1 ZINC000184260857 510226503 /nfs/dbraw/zinc/22/65/03/510226503.db2.gz ZIWFRUJQGFZUOH-UHFFFAOYSA-N 0 3 369.425 2.692 20 5 FFBDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000265907818 510292699 /nfs/dbraw/zinc/29/26/99/510292699.db2.gz AISVKMWEVRMDJN-NDMCHQMPSA-N 0 3 367.833 2.978 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@@H]3CN3CCCC3)n2)cc1 ZINC000171708520 510323315 /nfs/dbraw/zinc/32/33/15/510323315.db2.gz RWWHAWRROUHBJA-MRXNPFEDSA-N 0 3 357.414 2.705 20 5 FFBDHN Cc1ccc([C@@H](C)NCCN2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000177966906 510350390 /nfs/dbraw/zinc/35/03/90/510350390.db2.gz CZMRRVNSPOGSCN-CYBMUJFWSA-N 0 3 353.378 2.850 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269365559 510364947 /nfs/dbraw/zinc/36/49/47/510364947.db2.gz VKFZTWSXKWUKKC-ACJLOTCBSA-N 0 3 358.442 2.752 20 5 FFBDHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000174996805 510427231 /nfs/dbraw/zinc/42/72/31/510427231.db2.gz FVOMDHJWBZCQQZ-JKSUJKDBSA-N 0 3 358.442 2.868 20 5 FFBDHN CN(C)C1(CN(C)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC000187995633 510539903 /nfs/dbraw/zinc/53/99/03/510539903.db2.gz HLGPAUHNSHMAQV-UHFFFAOYSA-N 0 3 374.485 2.754 20 5 FFBDHN CCC1(CC)[C@H](NCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1OC ZINC000191363441 510624381 /nfs/dbraw/zinc/62/43/81/510624381.db2.gz IOWRTTYRAYVUFU-CVEARBPZSA-N 0 3 365.430 2.725 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000182098119 510758485 /nfs/dbraw/zinc/75/84/85/510758485.db2.gz NVZPFDHMUFISGC-CQSZACIVSA-N 0 3 357.410 2.854 20 5 FFBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000182258121 510836226 /nfs/dbraw/zinc/83/62/26/510836226.db2.gz QWTCYPDVOJISHA-CMPLNLGQSA-N 0 3 355.341 2.505 20 5 FFBDHN CN(CCCN1CCN(C)CC1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293877190 510884866 /nfs/dbraw/zinc/88/48/66/510884866.db2.gz SZYNGGNNOCEQCU-UHFFFAOYSA-N 0 3 374.407 2.683 20 5 FFBDHN CCN1CC[C@H]2OCCN(C(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000294008357 510927176 /nfs/dbraw/zinc/92/71/76/510927176.db2.gz YEBQZQJPGMPEIU-ZWKOTPCHSA-N 0 3 361.442 2.653 20 5 FFBDHN COCCN(C)CCCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277698774 510969661 /nfs/dbraw/zinc/96/96/61/510969661.db2.gz HIEGUJXCSKSGFH-UHFFFAOYSA-N 0 3 367.449 2.792 20 5 FFBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCc2nn(C)cc21 ZINC000282421195 510969821 /nfs/dbraw/zinc/96/98/21/510969821.db2.gz LTKNAZFOEWYDFV-BLLLJJGKSA-N 0 3 357.414 2.713 20 5 FFBDHN CN1CCC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)C2)C1 ZINC000294195843 510987382 /nfs/dbraw/zinc/98/73/82/510987382.db2.gz PUWOVRUVUISNHA-FQEVSTJZSA-N 0 3 372.469 2.753 20 5 FFBDHN COc1ccc(OCCN2CCC([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000364942118 511166659 /nfs/dbraw/zinc/16/66/59/511166659.db2.gz HZCPREWGMJGXEH-OAHLLOKOSA-N 0 3 350.415 2.731 20 5 FFBDHN CCOC1(C)CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000298260755 511228104 /nfs/dbraw/zinc/22/81/04/511228104.db2.gz MLAXPNAEHRYCIO-UHFFFAOYSA-N 0 3 353.394 2.954 20 5 FFBDHN COc1cccc(COC[C@@H](O)CN[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000271813132 511333759 /nfs/dbraw/zinc/33/37/59/511333759.db2.gz YQSNUYSNSPDLCR-ZBFHGGJFSA-N 0 3 360.410 2.832 20 5 FFBDHN Cc1c(Br)cc(C(=O)NCC2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000271859761 511350202 /nfs/dbraw/zinc/35/02/02/511350202.db2.gz KEGLTZSXGHZFFE-UHFFFAOYSA-N 0 3 368.231 2.657 20 5 FFBDHN C[C@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCN(C2CC2)C1 ZINC000295341750 511370537 /nfs/dbraw/zinc/37/05/37/511370537.db2.gz MRLIHZZRMPZKFI-OAHLLOKOSA-N 0 3 372.469 2.751 20 5 FFBDHN COc1ccc([C@H](CN2CCCC2)NC(=O)CCC(C)(C)[N+](=O)[O-])cc1 ZINC000295655795 511473125 /nfs/dbraw/zinc/47/31/25/511473125.db2.gz HFTSNOLPQFQDGC-KRWDZBQOSA-N 0 3 363.458 2.784 20 5 FFBDHN COc1cc(OC)cc([C@H](O)CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000283995534 511569466 /nfs/dbraw/zinc/56/94/66/511569466.db2.gz HMYTXSWMARFYKA-ADLMAVQZSA-N 0 3 361.398 2.578 20 5 FFBDHN CS[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000284206021 511641615 /nfs/dbraw/zinc/64/16/15/511641615.db2.gz SRNMCESMTRYXOK-CVEARBPZSA-N 0 3 366.443 2.515 20 5 FFBDHN CC[C@@H](C)N1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000296232084 511665762 /nfs/dbraw/zinc/66/57/62/511665762.db2.gz WQTAXSRUGGNUCD-GFCCVEGCSA-N 0 3 354.838 2.603 20 5 FFBDHN C[C@@H](NCc1ccccc1CN1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284295429 511672982 /nfs/dbraw/zinc/67/29/82/511672982.db2.gz YHCXFSSZAIBKEO-OAHLLOKOSA-N 0 3 370.453 2.860 20 5 FFBDHN COc1ccc([C@H](CN(C)C)NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000284331788 511686935 /nfs/dbraw/zinc/68/69/35/511686935.db2.gz MJMMAURJUNBBMD-KRWDZBQOSA-N 0 3 357.410 2.565 20 5 FFBDHN CC1(C)[C@H](NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]2CCO[C@H]21 ZINC000296489500 511764403 /nfs/dbraw/zinc/76/44/03/511764403.db2.gz YTAMZCBXMWCUBY-COLVAYQJSA-N 0 3 353.806 2.590 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)CN(C)Cc2ccccc2)n1 ZINC000311403536 511775936 /nfs/dbraw/zinc/77/59/36/511775936.db2.gz UUMOGISDZSKRCW-CYBMUJFWSA-N 0 3 358.398 2.709 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000312516902 511784627 /nfs/dbraw/zinc/78/46/27/511784627.db2.gz SWIRHADTCVOGKA-OAHLLOKOSA-N 0 3 370.409 2.710 20 5 FFBDHN CC(C)c1n[nH]c(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000274326643 511795607 /nfs/dbraw/zinc/79/56/07/511795607.db2.gz YUTFYRKOGVUFPL-ZFWWWQNUSA-N 0 3 371.441 2.692 20 5 FFBDHN COC[C@@H]1C[C@H](OC)CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000284673157 511819513 /nfs/dbraw/zinc/81/95/13/511819513.db2.gz OSKJKBOLXWLHQN-HOTGVXAUSA-N 0 3 361.398 2.528 20 5 FFBDHN C[C@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCN(C2CC2)C1 ZINC000296715272 511866900 /nfs/dbraw/zinc/86/69/00/511866900.db2.gz MKEOIGBTRNTUCP-ZDUSSCGKSA-N 0 3 357.414 2.561 20 5 FFBDHN CCNC(=O)[C@@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C ZINC000293229710 511889328 /nfs/dbraw/zinc/88/93/28/511889328.db2.gz KQGMRQOYQKOWFI-KRWDZBQOSA-N 0 3 360.414 2.543 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000366199336 511895831 /nfs/dbraw/zinc/89/58/31/511895831.db2.gz GKZBWHACVKFNKU-ZBFHGGJFSA-N 0 3 354.410 2.773 20 5 FFBDHN C[C@@H](c1ccccc1)N1CCC(NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000366199403 511896224 /nfs/dbraw/zinc/89/62/24/511896224.db2.gz GPNDTAQHYHAUQV-AWEZNQCLSA-N 0 3 354.410 2.945 20 5 FFBDHN C[C@H](NCCCN1C(=O)NC2(CCCCC2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000366285646 511940014 /nfs/dbraw/zinc/94/00/14/511940014.db2.gz OZWBEHNUQNIDKN-AWEZNQCLSA-N 0 3 374.441 2.890 20 5 FFBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000367845092 512687232 /nfs/dbraw/zinc/68/72/32/512687232.db2.gz ZXYDEXHBLYKKKS-DGCLKSJQSA-N 0 3 369.368 2.895 20 5 FFBDHN O=C(CCN[C@@]1(CO)CCCc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000411679644 512754442 /nfs/dbraw/zinc/75/44/42/512754442.db2.gz VUVMHVBZNXCWLT-HXUWFJFHSA-N 0 3 369.421 2.737 20 5 FFBDHN CC(C)CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cnn(C)c1 ZINC000411812996 512826610 /nfs/dbraw/zinc/82/66/10/512826610.db2.gz BOCCGLINQBYNKA-UHFFFAOYSA-N 0 3 359.430 2.815 20 5 FFBDHN CO[C@H]1c2ccccc2C[C@H]1NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411891192 512863034 /nfs/dbraw/zinc/86/30/34/512863034.db2.gz GJVDYRQQQZGTQK-APWZRJJASA-N 0 3 355.394 2.825 20 5 FFBDHN CCc1nn(C)c(N2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000381013581 512874310 /nfs/dbraw/zinc/87/43/10/512874310.db2.gz PYPMNWCQMZQPGN-IAGOWNOFSA-N 0 3 369.469 2.849 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC1(CO)C2CC3CC(C2)CC1C3 ZINC000412004654 512908958 /nfs/dbraw/zinc/90/89/58/512908958.db2.gz SNQASIMXZCTVCY-UHFFFAOYSA-N 0 3 373.453 2.619 20 5 FFBDHN O=[N+]([O-])c1cc(CNC2(CO)C3CC4CC(C3)CC2C4)c2c(c1)COCO2 ZINC000412014192 512911753 /nfs/dbraw/zinc/91/17/53/512911753.db2.gz PWKLURURNXBYEE-UHFFFAOYSA-N 0 3 374.437 2.738 20 5 FFBDHN C[C@]1(NC(=O)c2cccc([N+](=O)[O-])c2N)CCN(Cc2ccccc2)C1 ZINC000406030312 512973729 /nfs/dbraw/zinc/97/37/29/512973729.db2.gz JUPMPPWNYQSRLS-IBGZPJMESA-N 0 3 354.410 2.571 20 5 FFBDHN O=C(CCC(=O)N1CCCN(CC2CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000412312733 513035675 /nfs/dbraw/zinc/03/56/75/513035675.db2.gz HYNDGIRTZMQFCA-UHFFFAOYSA-N 0 3 373.453 2.892 20 5 FFBDHN CCc1ccccc1[C@@H](N)CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417758535 513198076 /nfs/dbraw/zinc/19/80/76/513198076.db2.gz CIHBKMJBMVPUBY-KRWDZBQOSA-N 0 3 356.426 2.699 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000439885105 513204085 /nfs/dbraw/zinc/20/40/85/513204085.db2.gz BSPZMHPIFIVHFT-DZGCQCFKSA-N 0 3 368.459 2.503 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCN1CCC(C)CC1 ZINC000439888642 513204603 /nfs/dbraw/zinc/20/46/03/513204603.db2.gz MAPDOXIDMNXOGU-UHFFFAOYSA-N 0 3 350.419 2.847 20 5 FFBDHN CCN1C[C@H](C)N(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C[C@H]1C ZINC000450500783 513223609 /nfs/dbraw/zinc/22/36/09/513223609.db2.gz OEASKYBKAHKMOK-OLZOCXBDSA-N 0 3 357.414 2.540 20 5 FFBDHN C[C@H](c1ccccc1)[C@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450566530 513253642 /nfs/dbraw/zinc/25/36/42/513253642.db2.gz KXYFLUQDTWFPPN-QGPMSJSTSA-N 0 3 356.426 2.641 20 5 FFBDHN CCNc1ccc(C(=O)N(CCN(C)C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000446432562 513260762 /nfs/dbraw/zinc/26/07/62/513260762.db2.gz JOFUXTPPNMFQTO-UHFFFAOYSA-N 0 3 360.414 2.824 20 5 FFBDHN CCC1(CC)[C@H](NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H](C)[C@@H]1OC ZINC000429292040 513331114 /nfs/dbraw/zinc/33/11/14/513331114.db2.gz HTSIRZOWCTYXOO-VHSSKADRSA-N 0 3 363.458 2.987 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000450808374 513351651 /nfs/dbraw/zinc/35/16/51/513351651.db2.gz IHZRKFKSUDASSV-OAHLLOKOSA-N 0 3 368.437 2.652 20 5 FFBDHN COC(=O)[C@H]1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])[C@H]1C(C)C ZINC000429396426 513364414 /nfs/dbraw/zinc/36/44/14/513364414.db2.gz WMKFHDJMMAXRGZ-YOEHRIQHSA-N 0 3 366.414 2.502 20 5 FFBDHN O=C(Cc1ccccc1[N+](=O)[O-])N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425003994 513364367 /nfs/dbraw/zinc/36/43/67/513364367.db2.gz MULJEIJCCBKNJP-AZUAARDMSA-N 0 3 365.433 2.870 20 5 FFBDHN Cc1c(CNC(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)cccc1[N+](=O)[O-] ZINC000418083824 513365455 /nfs/dbraw/zinc/36/54/55/513365455.db2.gz TVIHATMEBZZBJP-DLBZAZTESA-N 0 3 354.410 2.540 20 5 FFBDHN CC(C)(CNCc1cc([N+](=O)[O-])ccc1OC(F)F)C1(O)CCOCC1 ZINC000418138815 513388333 /nfs/dbraw/zinc/38/83/33/513388333.db2.gz VDFCJONAJAFCHY-UHFFFAOYSA-N 0 3 374.384 2.854 20 5 FFBDHN Cc1cc(N[C@H]2CCO[C@@H](c3nccn3C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000450947091 513419670 /nfs/dbraw/zinc/41/96/70/513419670.db2.gz AZJSZMFNLJGMHB-SCLBCKFNSA-N 0 3 367.409 2.939 20 5 FFBDHN CC(C)(CO)[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000429725978 513453350 /nfs/dbraw/zinc/45/33/50/513453350.db2.gz ZQUOKHNSQMIZIS-LPHOPBHVSA-N 0 3 374.437 2.684 20 5 FFBDHN CC(C)(C)[C@H](N)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000429796871 513467879 /nfs/dbraw/zinc/46/78/79/513467879.db2.gz YWOBRTBNOGMASJ-GFCCVEGCSA-N 0 3 362.352 2.515 20 5 FFBDHN Cc1c(NC(=O)NC[C@@H]2CCCN2C)cc(Br)cc1[N+](=O)[O-] ZINC000435329468 513557740 /nfs/dbraw/zinc/55/77/40/513557740.db2.gz PQOOLYBUZURWFP-NSHDSACASA-N 0 3 371.235 2.881 20 5 FFBDHN CCC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2OC)CCN1CCOC ZINC000430202444 513586355 /nfs/dbraw/zinc/58/63/55/513586355.db2.gz CTDNGRFRDJNTRA-KRWDZBQOSA-N 0 3 351.447 2.536 20 5 FFBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418641088 513588158 /nfs/dbraw/zinc/58/81/58/513588158.db2.gz RTKCEDBLVRGHFH-KRWDZBQOSA-N 0 3 354.410 2.623 20 5 FFBDHN Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)n(C2CCN(C)CC2)n1 ZINC000430440452 513653351 /nfs/dbraw/zinc/65/33/51/513653351.db2.gz STWYBWKHEAAHGN-UHFFFAOYSA-N 0 3 357.414 2.927 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H]1COc1ccccc1 ZINC000451310743 513667915 /nfs/dbraw/zinc/66/79/15/513667915.db2.gz GMYZLQOMHCPPQX-IRXDYDNUSA-N 0 3 372.421 2.878 20 5 FFBDHN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NC1CC(N2CCCCC2)C1 ZINC000451364645 513704218 /nfs/dbraw/zinc/70/42/18/513704218.db2.gz VGICUBJDLSWUSM-UHFFFAOYSA-N 0 3 359.426 2.691 20 5 FFBDHN COc1cc(NC(=O)c2csc([N+](=O)[O-])c2)ccc1OCCN(C)C ZINC000416337752 513718836 /nfs/dbraw/zinc/71/88/36/513718836.db2.gz AXMDQIKTHLFUDG-UHFFFAOYSA-N 0 3 365.411 2.858 20 5 FFBDHN COC(=O)[C@H]1CSCCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000413616103 513736812 /nfs/dbraw/zinc/73/68/12/513736812.db2.gz YBQPABZYYZKKGG-GFCCVEGCSA-N 0 3 361.423 2.794 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCSC[C@H]2C2CCC2)c1 ZINC000419363172 513788635 /nfs/dbraw/zinc/78/86/35/513788635.db2.gz OPPSIOBOAPLGPR-RDJZCZTQSA-N 0 3 352.456 2.552 20 5 FFBDHN CC1CCN(CCCNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000448597260 513800033 /nfs/dbraw/zinc/80/00/33/513800033.db2.gz JZMCGLFSIJDWOA-UHFFFAOYSA-N 0 3 361.442 2.796 20 5 FFBDHN C[C@@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)N1CCC[C@H](C)C1 ZINC000448703567 513853995 /nfs/dbraw/zinc/85/39/95/513853995.db2.gz BYEXIWITJSVDGP-GJZGRUSLSA-N 0 3 361.442 2.794 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCCN(C)C)cc1F ZINC000413904083 513873114 /nfs/dbraw/zinc/87/31/14/513873114.db2.gz SPDKEKQWFHAREL-UHFFFAOYSA-N 0 3 362.361 2.630 20 5 FFBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448780732 513896329 /nfs/dbraw/zinc/89/63/29/513896329.db2.gz KWJHYYACJWRNQQ-HUUCEWRRSA-N 0 3 361.442 2.794 20 5 FFBDHN CCC[C@@H](O)[C@@H](CO)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000419809125 513936731 /nfs/dbraw/zinc/93/67/31/513936731.db2.gz GIUCLCWENBYEOX-GDBMZVCRSA-N 0 3 350.440 2.935 20 5 FFBDHN CCN1CCN(C[C@@H](C)CNc2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000443444984 513972678 /nfs/dbraw/zinc/97/26/78/513972678.db2.gz QFGIGPSBYPUVAF-ZDUSSCGKSA-N 0 3 372.416 2.882 20 5 FFBDHN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CCN(C2CCCC2)C1 ZINC000448923417 513972736 /nfs/dbraw/zinc/97/27/36/513972736.db2.gz FUIJROUCKZXKHO-HNNXBMFYSA-N 0 3 359.426 2.691 20 5 FFBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448934254 513978672 /nfs/dbraw/zinc/97/86/72/513978672.db2.gz UPKHYVPYDRELBY-HUUCEWRRSA-N 0 3 371.441 2.773 20 5 FFBDHN CCc1ccccc1[C@H](N)CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000420283056 514072046 /nfs/dbraw/zinc/07/20/46/514072046.db2.gz SPZYVUDKWCOKSG-CQSZACIVSA-N 0 3 363.439 2.673 20 5 FFBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000449121173 514080285 /nfs/dbraw/zinc/08/02/85/514080285.db2.gz GHYYQLUAWMQHNZ-QAPCUYQASA-N 0 3 355.438 2.815 20 5 FFBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](CO)c1ccc(F)cc1 ZINC000449380239 514187716 /nfs/dbraw/zinc/18/77/16/514187716.db2.gz MIGMHSJNBFDAFL-YVEFUNNKSA-N 0 3 361.373 2.774 20 5 FFBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H]2CCCN2CCCO)o1 ZINC000449384823 514189593 /nfs/dbraw/zinc/18/95/93/514189593.db2.gz CTVVXXLAWMMDQJ-HNNXBMFYSA-N 0 3 359.426 2.791 20 5 FFBDHN COC(=O)[C@@H]1CSCCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000414580272 514191682 /nfs/dbraw/zinc/19/16/82/514191682.db2.gz JPLRHBRIYBSMRA-NRUITVPNSA-N 0 3 350.440 2.836 20 5 FFBDHN CC(C)[C@H](CO)[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)C ZINC000449504576 514231386 /nfs/dbraw/zinc/23/13/86/514231386.db2.gz AASFCZJKLNWWAT-IRXDYDNUSA-N 0 3 352.431 2.840 20 5 FFBDHN COCc1nc2n(n1)C[C@@H](N[C@@H]1CCCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000417313444 514289030 /nfs/dbraw/zinc/28/90/30/514289030.db2.gz VZJDMBHSIUVPFX-WMLDXEAASA-N 0 3 371.441 2.705 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000424021037 514344957 /nfs/dbraw/zinc/34/49/57/514344957.db2.gz NHSRNXHAKHJFIU-DLBZAZTESA-N 0 3 357.385 2.918 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000444909729 514365885 /nfs/dbraw/zinc/36/58/85/514365885.db2.gz ZIDPMVZZIGIGJF-STQMWFEESA-N 0 3 350.419 2.988 20 5 FFBDHN Cc1nc([N+](=O)[O-])c(-c2noc(-c3cccc(CN4CCCC4)c3)n2)n1C ZINC000445622178 514500539 /nfs/dbraw/zinc/50/05/39/514500539.db2.gz WYOFOCQPUDUAIU-UHFFFAOYSA-N 0 3 368.397 2.950 20 5 FFBDHN CC[C@@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000453086503 514540550 /nfs/dbraw/zinc/54/05/50/514540550.db2.gz LVPLMBSKXZQXBX-OAHLLOKOSA-N 0 3 369.468 2.676 20 5 FFBDHN CN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470675937 514569692 /nfs/dbraw/zinc/56/96/92/514569692.db2.gz VVPICTIVNRTSAV-INIZCTEOSA-N 0 3 356.426 2.670 20 5 FFBDHN CN(C)CCOc1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccn1 ZINC000497701127 514603138 /nfs/dbraw/zinc/60/31/38/514603138.db2.gz IBGRBQVYFMACJG-UHFFFAOYSA-N 0 3 370.365 2.929 20 5 FFBDHN CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475307868 514613148 /nfs/dbraw/zinc/61/31/48/514613148.db2.gz IGHCWKAVUHFAGQ-LJQANCHMSA-N 0 3 353.422 2.870 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](NCCN2CCC(O)CC2)c2ccccc2)c1 ZINC000453379608 514614159 /nfs/dbraw/zinc/61/41/59/514614159.db2.gz QUUUFMUAFFLRJH-HXUWFJFHSA-N 0 3 355.438 2.731 20 5 FFBDHN COC(=O)COc1ccc(CN(C)CCc2cccs2)cc1[N+](=O)[O-] ZINC000475708639 514772230 /nfs/dbraw/zinc/77/22/30/514772230.db2.gz GXDSBJDGVJMLLY-UHFFFAOYSA-N 0 3 364.423 2.883 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000467018945 514865971 /nfs/dbraw/zinc/86/59/71/514865971.db2.gz QXCAQBIOZZFGKK-NHYWBVRUSA-N 0 3 372.450 2.931 20 5 FFBDHN Cc1ccc(S(=O)(=O)N(C)CCN(C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000503969120 515185073 /nfs/dbraw/zinc/18/50/73/515185073.db2.gz NSWQYLYVNHRXGW-UHFFFAOYSA-N 0 3 357.476 2.643 20 5 FFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000481388073 515312028 /nfs/dbraw/zinc/31/20/28/515312028.db2.gz CNZRFEKFJSZRIW-CABCVRRESA-N 0 3 369.487 2.705 20 5 FFBDHN C[C@H]1COCCN1CCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000491069542 515369280 /nfs/dbraw/zinc/36/92/80/515369280.db2.gz YEADQQSUPUSEQR-OXJNMPFZSA-N 0 3 355.438 2.995 20 5 FFBDHN CC[C@H]1CCCCN1CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000499670365 515405855 /nfs/dbraw/zinc/40/58/55/515405855.db2.gz QJEBOZBGKXSUGW-INIZCTEOSA-N 0 3 371.441 2.775 20 5 FFBDHN COCCN(C)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1 ZINC000505053915 515437483 /nfs/dbraw/zinc/43/74/83/515437483.db2.gz JWLCKEVMPIBSJM-HNNXBMFYSA-N 0 3 361.398 2.627 20 5 FFBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCC(=O)NCc1cccnc1 ZINC000468625483 515442696 /nfs/dbraw/zinc/44/26/96/515442696.db2.gz PUCLNPOUWNCLPV-XNTDXEJSSA-N 0 3 354.410 2.689 20 5 FFBDHN CN(C(C)(C)CN1CCCCCC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000492021221 515491345 /nfs/dbraw/zinc/49/13/45/515491345.db2.gz FNTOHKVBHOCVMK-UHFFFAOYSA-N 0 3 369.487 2.870 20 5 FFBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H](c1ccco1)N(C)C ZINC000499973418 515542220 /nfs/dbraw/zinc/54/22/20/515542220.db2.gz BZSXMPHKRGDWNA-CZUORRHYSA-N 0 3 360.414 2.797 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](NC[C@H](CO)[C@@H]2CCOC2)c2ccccc2)c1 ZINC000482004366 515542538 /nfs/dbraw/zinc/54/25/38/515542538.db2.gz WHOBXYVIRNJELQ-QWFCFKBJSA-N 0 3 356.422 2.919 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](NC[C@@H](CO)[C@H]2CCOC2)c2ccccc2)c1 ZINC000482004364 515543464 /nfs/dbraw/zinc/54/34/64/515543464.db2.gz WHOBXYVIRNJELQ-CMKODMSKSA-N 0 3 356.422 2.919 20 5 FFBDHN COc1cc(CN(C)CCN2CCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000505613465 515610630 /nfs/dbraw/zinc/61/06/30/515610630.db2.gz YGGXCOWSENPRMO-UHFFFAOYSA-N 0 3 373.400 2.775 20 5 FFBDHN C[C@@H](CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)N(C)C1CC1 ZINC000454659712 515647076 /nfs/dbraw/zinc/64/70/76/515647076.db2.gz RPXDXEZGWYFQDH-HOCLYGCPSA-N 0 3 360.458 2.967 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454677836 515660021 /nfs/dbraw/zinc/66/00/21/515660021.db2.gz GSYVBMYKEZTMAD-ALKREAHSSA-N 0 3 372.469 2.967 20 5 FFBDHN O=[N+]([O-])c1ccn(CCNC2(c3ccc(Cl)cc3)CCOCC2)n1 ZINC000478009880 515665824 /nfs/dbraw/zinc/66/58/24/515665824.db2.gz OMKPDQOQAKTYGR-UHFFFAOYSA-N 0 3 350.806 2.740 20 5 FFBDHN COc1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000494068633 515723757 /nfs/dbraw/zinc/72/37/57/515723757.db2.gz JAFNWAUNPSJCKU-RHSMWYFYSA-N 0 3 369.421 2.996 20 5 FFBDHN C[C@H](N[C@H]1CCN(C(=O)COc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000510994296 515739706 /nfs/dbraw/zinc/73/97/06/515739706.db2.gz GGYAHZZZKZPPIV-RDJZCZTQSA-N 0 3 369.421 2.925 20 5 FFBDHN CN(CCCN1C(=O)c2ccccc2C1=O)CCc1ccccc1[N+](=O)[O-] ZINC000511139199 515800317 /nfs/dbraw/zinc/80/03/17/515800317.db2.gz HFFAPYVUGGJKIT-UHFFFAOYSA-N 0 3 367.405 2.755 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NCCCN1CCN(c2ccncc2)CC1 ZINC000474146941 515904143 /nfs/dbraw/zinc/90/41/43/515904143.db2.gz ZFCGWHGKUGYNAM-UHFFFAOYSA-N 0 3 355.442 2.922 20 5 FFBDHN CN(Cc1ccccc1)C1(CNC(=O)Nc2ccncc2[N+](=O)[O-])CCC1 ZINC000455037227 515911294 /nfs/dbraw/zinc/91/12/94/515911294.db2.gz IYSBNNGMVYSCNO-UHFFFAOYSA-N 0 3 369.425 2.588 20 5 FFBDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)Nc1ccncc1[N+](=O)[O-])N(C)C ZINC000478949070 516017077 /nfs/dbraw/zinc/01/70/77/516017077.db2.gz HLQAXLIEBPYXCC-DYVFJYSZSA-N 0 3 357.414 2.533 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000487925644 516035450 /nfs/dbraw/zinc/03/54/50/516035450.db2.gz WVQYQZZDGFOOKU-IAQYHMDHSA-N 0 3 366.849 2.573 20 5 FFBDHN CC(C)[C@H]1CCC[C@@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000474706884 516164328 /nfs/dbraw/zinc/16/43/28/516164328.db2.gz ILDRQNGZHDOSMS-LSDHHAIUSA-N 0 3 369.487 2.678 20 5 FFBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000470203755 516171605 /nfs/dbraw/zinc/17/16/05/516171605.db2.gz FBKSNTAYBSCNBY-YRBHFNIASA-N 0 3 371.359 2.999 20 5 FFBDHN CCN(CC)CCN(CC(C)C)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000507434900 516210432 /nfs/dbraw/zinc/21/04/32/516210432.db2.gz JAWVOFOWQVVVKY-UHFFFAOYSA-N 0 3 371.503 2.892 20 5 FFBDHN CCCN(CCN(CC)CC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000460898587 516278900 /nfs/dbraw/zinc/27/89/00/516278900.db2.gz RDKZDVUCLZKFOQ-UHFFFAOYSA-N 0 3 357.476 2.646 20 5 FFBDHN CS[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000536172939 516663697 /nfs/dbraw/zinc/66/36/97/516663697.db2.gz LTGLGBSKHARNNN-QWHCGFSZSA-N 0 3 360.277 2.839 20 5 FFBDHN CCOc1ccc(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000561746953 516745910 /nfs/dbraw/zinc/74/59/10/516745910.db2.gz PKYREHZJSOSVTR-OFQRWUPVSA-N 0 3 361.442 2.796 20 5 FFBDHN COc1ccc(NC(=O)N(CCN(C)C)Cc2ccccn2)cc1[N+](=O)[O-] ZINC000541104964 516877524 /nfs/dbraw/zinc/87/75/24/516877524.db2.gz GMEDRLSHHPQSKC-UHFFFAOYSA-N 0 3 373.413 2.594 20 5 FFBDHN CCCCN1CCCC[C@@H]1CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000544720365 516892725 /nfs/dbraw/zinc/89/27/25/516892725.db2.gz LLRWRMNDVGHDKP-MRXNPFEDSA-N 0 3 369.487 2.669 20 5 FFBDHN C[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000555417386 516920038 /nfs/dbraw/zinc/92/00/38/516920038.db2.gz NIAQMCOXJXYKJG-DXEWXGHRSA-N 0 3 359.426 2.859 20 5 FFBDHN CN(CCCN(C)Cc1ccco1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000552059006 517055872 /nfs/dbraw/zinc/05/58/72/517055872.db2.gz IKXCMPVFERRHHX-UHFFFAOYSA-N 0 3 360.414 2.580 20 5 FFBDHN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H](N2CCCC2)C1 ZINC000541851579 517250571 /nfs/dbraw/zinc/25/05/71/517250571.db2.gz IVBDWRXQZYZCHR-OAHLLOKOSA-N 0 3 366.849 2.670 20 5 FFBDHN COC(=O)CC1(NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])CCCCC1 ZINC000533068670 517277831 /nfs/dbraw/zinc/27/78/31/517277831.db2.gz KBBCYSRJMOHIQT-UHFFFAOYSA-N 0 3 363.414 2.697 20 5 FFBDHN Cc1ncsc1CN(C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000533281039 517381936 /nfs/dbraw/zinc/38/19/36/517381936.db2.gz DFDLHNHVHAHUSY-UHFFFAOYSA-N 0 3 362.411 2.790 20 5 FFBDHN CC(C)(CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)CN1CCCC1 ZINC000295639734 517400513 /nfs/dbraw/zinc/40/05/13/517400513.db2.gz GNDZDMIYFRGVIH-UHFFFAOYSA-N 0 3 361.442 2.796 20 5 FFBDHN C[C@@H](C(=O)N(CCN(C)C)Cc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000520472969 517406766 /nfs/dbraw/zinc/40/67/66/517406766.db2.gz IMQMVGCBFMLLCT-OAHLLOKOSA-N 0 3 356.426 2.684 20 5 FFBDHN Cc1ccc(C(=O)NCCc2ccc(OCCN(C)C)cc2)cc1[N+](=O)[O-] ZINC000520545723 517429905 /nfs/dbraw/zinc/42/99/05/517429905.db2.gz PVNPPJZGNBHXCF-UHFFFAOYSA-N 0 3 371.437 2.816 20 5 FFBDHN CCN(C)CCNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000538086994 517460608 /nfs/dbraw/zinc/46/06/08/517460608.db2.gz NQPNWXNVWUYKFS-UHFFFAOYSA-N 0 3 353.220 2.691 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](Cc2ccccc2)N(C)C)c1 ZINC000549328485 517514980 /nfs/dbraw/zinc/51/49/80/517514980.db2.gz IJPMIYLHGUOSFV-INIZCTEOSA-N 0 3 371.437 2.896 20 5 FFBDHN COc1ccc2c(c1)CCCN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000556686085 517569972 /nfs/dbraw/zinc/56/99/72/517569972.db2.gz MHTMUKDUGLBXSN-GOSISDBHSA-N 0 3 372.421 2.792 20 5 FFBDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)c1ncc([N+](=O)[O-])cn1 ZINC000546181864 517587008 /nfs/dbraw/zinc/58/70/08/517587008.db2.gz KKPYDRBBKRLLOO-UHFFFAOYSA-N 0 3 369.347 2.972 20 5 FFBDHN CNC(=O)COc1cccc(CNC/C=C/c2ccccc2[N+](=O)[O-])c1 ZINC000549558184 517618000 /nfs/dbraw/zinc/61/80/00/517618000.db2.gz HWCUNSPVOPSMNX-VMPITWQZSA-N 0 3 355.394 2.523 20 5 FFBDHN Cc1cccc(OC[C@@H](C)NC[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000516562956 517744227 /nfs/dbraw/zinc/74/42/27/517744227.db2.gz KJGIAQZLALVFEY-WBVHZDCISA-N 0 3 360.410 2.700 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000521512875 517760969 /nfs/dbraw/zinc/76/09/69/517760969.db2.gz PSRBBNXXYHPFQE-UHFFFAOYSA-N 0 3 371.437 2.816 20 5 FFBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000553785597 517904565 /nfs/dbraw/zinc/90/45/65/517904565.db2.gz GXIBDXRTQQWTOC-IYOUNJFTSA-N 0 3 372.469 2.971 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(c2ccc(O)cc2)CC1 ZINC000543139138 517928295 /nfs/dbraw/zinc/92/82/95/517928295.db2.gz LUYJITCBVWPTCP-GOSISDBHSA-N 0 3 372.421 2.920 20 5 FFBDHN C[C@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000553867778 517942835 /nfs/dbraw/zinc/94/28/35/517942835.db2.gz XBJUPRZPEYIFQP-OAHLLOKOSA-N 0 3 360.458 2.730 20 5 FFBDHN COc1ccc(CNC[C@H](O)COc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000550366211 518014404 /nfs/dbraw/zinc/01/44/04/518014404.db2.gz YZNLPIHGRRLMBA-ZDUSSCGKSA-N 0 3 366.801 2.786 20 5 FFBDHN CCn1c(C)nc([N+](=O)[O-])c1NCC1(N2CCSCC2)CCCC1 ZINC000563649030 518045590 /nfs/dbraw/zinc/04/55/90/518045590.db2.gz HJLCEGAJSDPPEV-UHFFFAOYSA-N 0 3 353.492 2.893 20 5 FFBDHN COc1ccc([C@H](CN(C)C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000560841475 518058063 /nfs/dbraw/zinc/05/80/63/518058063.db2.gz IZCZECCSOXGZPQ-KRWDZBQOSA-N 0 3 357.410 2.945 20 5 FFBDHN CSC1(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCN(C)CC1 ZINC000560840259 518059007 /nfs/dbraw/zinc/05/90/07/518059007.db2.gz AAMCMMARICPLSD-UHFFFAOYSA-N 0 3 365.499 2.816 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1 ZINC000554113724 518066229 /nfs/dbraw/zinc/06/62/29/518066229.db2.gz UZBZMQFNSPGZBU-QWQRMKEZSA-N 0 3 361.442 2.796 20 5 FFBDHN CN(C)Cc1cc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])ccc1F ZINC000563806538 518132879 /nfs/dbraw/zinc/13/28/79/518132879.db2.gz ZOVISGJURFAUEI-UHFFFAOYSA-N 0 3 374.416 2.914 20 5 FFBDHN CC[C@@H](C)N[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000569640883 518215528 /nfs/dbraw/zinc/21/55/28/518215528.db2.gz MRDFNZYOHJBOAK-CJNGLKHVSA-N 0 3 361.398 2.812 20 5 FFBDHN CC(C)Cc1ccc([C@@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])N(C)C)cc1 ZINC000578634602 518303261 /nfs/dbraw/zinc/30/32/61/518303261.db2.gz BOXKIDKIGRXFTE-OAHLLOKOSA-N 0 3 359.430 2.549 20 5 FFBDHN CC(C)Cc1ccc([C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])N(C)C)cc1 ZINC000578634602 518303267 /nfs/dbraw/zinc/30/32/67/518303267.db2.gz BOXKIDKIGRXFTE-OAHLLOKOSA-N 0 3 359.430 2.549 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)c1 ZINC000567238923 518423321 /nfs/dbraw/zinc/42/33/21/518423321.db2.gz BGTZIKIVUTUYBX-HXUWFJFHSA-N 0 3 369.421 2.998 20 5 FFBDHN C[C@@H](CNC[C@@H](O)COc1ccccc1[N+](=O)[O-])Oc1ccccc1F ZINC000579103341 518522851 /nfs/dbraw/zinc/52/28/51/518522851.db2.gz JBIKHJPELRSFRY-UONOGXRCSA-N 0 3 364.373 2.531 20 5 FFBDHN CCC[C@@H](NC[C@H]1CCCCN1S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000579264493 518599481 /nfs/dbraw/zinc/59/94/81/518599481.db2.gz STGHUENZEXIEOM-IAGOWNOFSA-N 0 3 369.487 2.840 20 5 FFBDHN CCOc1cc(C(=O)N2C[C@H](N)Cc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000564792927 518616595 /nfs/dbraw/zinc/61/65/95/518616595.db2.gz FGOAMJZJNJZJTG-CYBMUJFWSA-N 0 3 371.393 2.532 20 5 FFBDHN COC[C@@H](C)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000582210675 518638818 /nfs/dbraw/zinc/63/88/18/518638818.db2.gz BMADESMOTNXXCR-VIFPVBQESA-N 0 3 364.183 2.572 20 5 FFBDHN CC(C)[C@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C2CC2)CCN1C ZINC000576591285 518667181 /nfs/dbraw/zinc/66/71/81/518667181.db2.gz IIEPIGDCJODLFH-QGZVFWFLSA-N 0 3 370.457 2.965 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC[C@@H]2SCCc3ccccc32)c1 ZINC000567725716 518677195 /nfs/dbraw/zinc/67/71/95/518677195.db2.gz GQBWNBPQEHFDRY-LPHOPBHVSA-N 0 3 374.462 2.955 20 5 FFBDHN CC(C)Cc1ccc([C@@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])N(C)C)cc1 ZINC000576662943 518700595 /nfs/dbraw/zinc/70/05/95/518700595.db2.gz MCPQEIYBLJSGCK-MRXNPFEDSA-N 0 3 359.430 2.549 20 5 FFBDHN COc1cc(C(=O)N[C@H](CN(C)C)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000573637768 518761892 /nfs/dbraw/zinc/76/18/92/518761892.db2.gz GLLUFOKGRJDLBV-OAHLLOKOSA-N 0 3 361.373 2.775 20 5 FFBDHN COc1ccccc1[C@]1(C)C[C@@H]1NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000582481634 518774676 /nfs/dbraw/zinc/77/46/76/518774676.db2.gz BZCOKJMRTRCOAF-GKCIPKSASA-N 0 3 372.421 2.663 20 5 FFBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000576825900 518782804 /nfs/dbraw/zinc/78/28/04/518782804.db2.gz KFGVFXSJAKVVFJ-CYBMUJFWSA-N 0 3 356.426 2.945 20 5 FFBDHN NC[C@H]1c2ccccc2CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000567926112 518787149 /nfs/dbraw/zinc/78/71/49/518787149.db2.gz CTFLIGJZGBCVKH-KRWDZBQOSA-N 0 3 359.813 2.875 20 5 FFBDHN CN(CCc1ccc([N+](=O)[O-])cc1)CCn1cc(Br)cn1 ZINC000588986297 518888868 /nfs/dbraw/zinc/88/88/68/518888868.db2.gz AVQZFUPXXTXFJM-UHFFFAOYSA-N 0 3 353.220 2.728 20 5 FFBDHN CC(C)Oc1nc(NCC2CCN(c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000565373700 518923468 /nfs/dbraw/zinc/92/34/68/518923468.db2.gz XNMRPYJLTVLOGA-UHFFFAOYSA-N 0 3 371.441 2.922 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000565389719 518929155 /nfs/dbraw/zinc/92/91/55/518929155.db2.gz ALIWVOPKTJMAON-YLJYHZDGSA-N 0 3 368.437 2.877 20 5 FFBDHN COCCN1CCC(N[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000583029300 519043255 /nfs/dbraw/zinc/04/32/55/519043255.db2.gz KPEDZIUYZAIDQD-HNNXBMFYSA-N 0 3 361.364 2.899 20 5 FFBDHN CC[C@H](CN1CCCC1)NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000589643164 519054748 /nfs/dbraw/zinc/05/47/48/519054748.db2.gz GVAFZBRVDJFXIV-OAHLLOKOSA-N 0 3 373.457 2.792 20 5 FFBDHN CS[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)C[C@H]1N1CCCC1 ZINC000583392190 519224838 /nfs/dbraw/zinc/22/48/38/519224838.db2.gz XZIUYTUBTKWTSY-CABCVRRESA-N 0 3 366.487 2.793 20 5 FFBDHN COc1cncc(/C=C\CCN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000571758729 519261574 /nfs/dbraw/zinc/26/15/74/519261574.db2.gz UJHZLZVTXFAKMK-ZENLRNHISA-N 0 3 369.425 2.983 20 5 FFBDHN COC(=O)c1ccnc(NC[C@@H](c2ccc(F)cc2)N(C)C)c1[N+](=O)[O-] ZINC000590574597 519272330 /nfs/dbraw/zinc/27/23/30/519272330.db2.gz LRQNGSXGCILMQO-AWEZNQCLSA-N 0 3 362.361 2.630 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCCOC1CCCCCC1 ZINC000571790430 519275884 /nfs/dbraw/zinc/27/58/84/519275884.db2.gz NNHJALKYLGJFAN-HNNXBMFYSA-N 0 3 352.431 2.664 20 5 FFBDHN CN(CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000571834757 519300002 /nfs/dbraw/zinc/30/00/02/519300002.db2.gz CFGBLFAIDLKTNE-UHFFFAOYSA-N 0 3 363.364 2.664 20 5 FFBDHN COc1ccc(OCCN2CCN(C)[C@H](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000602872300 519939511 /nfs/dbraw/zinc/93/95/11/519939511.db2.gz BTZRUEIJLNRKOQ-KRWDZBQOSA-N 0 3 351.447 2.644 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC2(CCc3ccccc3O2)CC1 ZINC000602902657 519961344 /nfs/dbraw/zinc/96/13/44/519961344.db2.gz KIYKHVYIMKHODR-UHFFFAOYSA-N 0 3 356.426 2.960 20 5 FFBDHN Cn1nnc2c1CC[C@H](NCc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000594514616 520009970 /nfs/dbraw/zinc/00/99/70/520009970.db2.gz JNTWIFTZBPKJTB-ZDUSSCGKSA-N 0 3 353.382 2.630 20 5 FFBDHN C[C@@H](CN1CCCCC1)Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000594544605 520020204 /nfs/dbraw/zinc/02/02/04/520020204.db2.gz GQBZGBCNLGFWPL-AWEZNQCLSA-N 0 3 366.437 2.857 20 5 FFBDHN CC(C)OC1CCC(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000591757002 520024393 /nfs/dbraw/zinc/02/43/93/520024393.db2.gz NQVFZWQYUXCGMQ-UHFFFAOYSA-N 0 3 370.471 2.694 20 5 FFBDHN COCC(=O)N1CCC(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000609222679 520237455 /nfs/dbraw/zinc/23/74/55/520237455.db2.gz BIYNYANZBWJEKS-UHFFFAOYSA-N 0 3 373.409 2.582 20 5 FFBDHN COc1cc(CN[C@H]2C[C@H](O)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000594998005 520249292 /nfs/dbraw/zinc/24/92/92/520249292.db2.gz DRELAAOOTDNJER-JCNLHEQBSA-N 0 3 358.394 2.795 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000595003778 520252572 /nfs/dbraw/zinc/25/25/72/520252572.db2.gz JZUDNWCXPKGJLX-GDBMZVCRSA-N 0 3 351.447 2.611 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCc1nnc2n1CCCCC2 ZINC000595003692 520253529 /nfs/dbraw/zinc/25/35/29/520253529.db2.gz JUPBNDGNQLNPPM-ZDUSSCGKSA-N 0 3 359.430 2.815 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H]1CCOC2(CCOCC2)C1 ZINC000595021895 520260243 /nfs/dbraw/zinc/26/02/43/520260243.db2.gz GMXNXOMBGQLZPK-KGLIPLIRSA-N 0 3 350.415 2.982 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC1CCN(c2cccnn2)CC1 ZINC000595048908 520269373 /nfs/dbraw/zinc/26/93/73/520269373.db2.gz SMYAVNYLQGBMPC-ZDUSSCGKSA-N 0 3 357.414 2.713 20 5 FFBDHN Cn1cc(C(=O)NC[C@H]2CCN2C(C)(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597859836 520285656 /nfs/dbraw/zinc/28/56/56/520285656.db2.gz YWNRNMBXZLQLJQ-OAHLLOKOSA-N 0 3 371.441 2.598 20 5 FFBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000609346756 520289836 /nfs/dbraw/zinc/28/98/36/520289836.db2.gz OROBMDCDUSDMPP-GASCZTMLSA-N 0 3 358.442 2.929 20 5 FFBDHN CCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000597945579 520345015 /nfs/dbraw/zinc/34/50/15/520345015.db2.gz ITDLLUNPUSVAKO-WCQYABFASA-N 0 3 355.822 2.568 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCCN2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000609541271 520352032 /nfs/dbraw/zinc/35/20/32/520352032.db2.gz YYIGCSGQYJXLCJ-SFHVURJKSA-N 0 3 363.458 2.550 20 5 FFBDHN CC[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000609545879 520352809 /nfs/dbraw/zinc/35/28/09/520352809.db2.gz QZCVDDBAURIGFN-CQSZACIVSA-N 0 3 369.487 2.774 20 5 FFBDHN COc1ccc(OCCN2CC[C@H](Cc3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000613178715 520371828 /nfs/dbraw/zinc/37/18/28/520371828.db2.gz WDYATMKAUVBNRW-MRXNPFEDSA-N 0 3 357.410 2.942 20 5 FFBDHN Cc1cc(C(=O)NCC2CCN(Cc3ccncc3)CC2)cc([N+](=O)[O-])c1 ZINC000598062849 520406331 /nfs/dbraw/zinc/40/63/31/520406331.db2.gz XLRFGHUIRKHFKN-UHFFFAOYSA-N 0 3 368.437 2.940 20 5 FFBDHN C[C@H](c1ccccc1)[C@H](CO)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000609708078 520410725 /nfs/dbraw/zinc/41/07/25/520410725.db2.gz CIYDBIJSENUXIE-ACJLOTCBSA-N 0 3 358.394 2.716 20 5 FFBDHN COc1cccc([C@@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)N(C)C)c1 ZINC000609849597 520456693 /nfs/dbraw/zinc/45/66/93/520456693.db2.gz RBUUOYCVYZMYLE-GOSISDBHSA-N 0 3 367.409 2.683 20 5 FFBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598261441 520525662 /nfs/dbraw/zinc/52/56/62/520525662.db2.gz FLULJWNVFZFRDO-OAHLLOKOSA-N 0 3 371.441 2.631 20 5 FFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C[C@@H]1C ZINC000610135392 520554647 /nfs/dbraw/zinc/55/46/47/520554647.db2.gz RADXFTVMNWARDZ-ZFWWWQNUSA-N 0 3 369.487 2.705 20 5 FFBDHN Cc1ccc(CNC[C@@]2(O)CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000610162185 520564647 /nfs/dbraw/zinc/56/46/47/520564647.db2.gz FWMAWSFKENIJMA-FQEVSTJZSA-N 0 3 355.438 2.630 20 5 FFBDHN CCCN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000598341460 520564733 /nfs/dbraw/zinc/56/47/33/520564733.db2.gz BZXRNBKORAMFIP-JTQLQIEISA-N 0 3 356.220 2.571 20 5 FFBDHN CCCN1CC[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000598342466 520566313 /nfs/dbraw/zinc/56/63/13/520566313.db2.gz NPOZNSVIIWDZIH-ZDUSSCGKSA-N 0 3 360.439 2.932 20 5 FFBDHN O=C(NCCCN1CCc2ccccc2C1)c1c(F)cccc1[N+](=O)[O-] ZINC000600993863 520580973 /nfs/dbraw/zinc/58/09/73/520580973.db2.gz ONLFXIGVBFUBQS-UHFFFAOYSA-N 0 3 357.385 2.912 20 5 FFBDHN CCCN1CC[C@H](NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000595801031 520735488 /nfs/dbraw/zinc/73/54/88/520735488.db2.gz VPZARTFIKBNQEY-IRXDYDNUSA-N 0 3 360.458 2.968 20 5 FFBDHN CN(C(=O)C(C[C@H]1COCCO1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000598802371 520849918 /nfs/dbraw/zinc/84/99/18/520849918.db2.gz CKVNXMMZKOMAMF-QWHCGFSZSA-N 0 3 362.304 2.542 20 5 FFBDHN CN(c1ccc([N+](=O)[O-])c(C(N)=O)c1)C1CCN(Cc2ccccc2)CC1 ZINC000596126352 520929516 /nfs/dbraw/zinc/92/95/16/520929516.db2.gz LBRKEQGHIZEUGS-UHFFFAOYSA-N 0 3 368.437 2.795 20 5 FFBDHN COC(=O)c1c(Cl)c(N(C)[C@H]2CCN(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000596137768 520935034 /nfs/dbraw/zinc/93/50/34/520935034.db2.gz WIOKWAQVWVFWCU-QWRGUYRKSA-N 0 3 355.822 2.954 20 5 FFBDHN C[C@@H]1CCN(Cc2ccccc2)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596150504 520940097 /nfs/dbraw/zinc/94/00/97/520940097.db2.gz CALAZBNDOZAEPV-OAHLLOKOSA-N 0 3 368.437 2.795 20 5 FFBDHN COC(=O)c1c(Cl)c(N2C[C@@H](SC)[C@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000596178058 520954044 /nfs/dbraw/zinc/95/40/44/520954044.db2.gz KMSVOLWIDLKIMF-VXGBXAGGSA-N 0 3 373.862 2.517 20 5 FFBDHN O=[N+]([O-])c1c2ccncc2ccc1N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000599020011 520983366 /nfs/dbraw/zinc/98/33/66/520983366.db2.gz LRFKYXSGBIELGZ-INIZCTEOSA-N 0 3 356.426 2.834 20 5 FFBDHN CC(C)N1CCN([C@H]2CCN(c3ccc4cnccc4c3[N+](=O)[O-])C2)CC1 ZINC000599055330 521003344 /nfs/dbraw/zinc/00/33/44/521003344.db2.gz DYNFLVPNTCRDMM-KRWDZBQOSA-N 0 3 369.469 2.748 20 5 FFBDHN CCN1CCN(C[C@H](C)CNc2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593454866 521003917 /nfs/dbraw/zinc/00/39/17/521003917.db2.gz NNEWNIJUYXKQJK-OAHLLOKOSA-N 0 3 357.458 2.829 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCN([C@@H]3CCC[C@H]3O)CC2)nc1-c1ccccc1 ZINC000611181819 521027916 /nfs/dbraw/zinc/02/79/16/521027916.db2.gz KRISLMSWIFWTGK-SJLPKXTDSA-N 0 3 368.437 2.692 20 5 FFBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000611185036 521029106 /nfs/dbraw/zinc/02/91/06/521029106.db2.gz OOVYGDWAERFRHL-PXNSSMCTSA-N 0 3 371.437 2.856 20 5 FFBDHN Cn1c2cc(NC[C@@H]3CCN3C3CCCCC3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000599128379 521045478 /nfs/dbraw/zinc/04/54/78/521045478.db2.gz YVOYOHJSZSEFBL-AWEZNQCLSA-N 0 3 373.457 2.604 20 5 FFBDHN CC(C)C[N@H+](C)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000593616331 521110231 /nfs/dbraw/zinc/11/02/31/521110231.db2.gz KNDSMZUWIRBRKI-UHFFFAOYSA-N 0 3 363.867 2.504 20 5 FFBDHN CC(C)C[N@@H+](C)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000593616331 521110241 /nfs/dbraw/zinc/11/02/41/521110241.db2.gz KNDSMZUWIRBRKI-UHFFFAOYSA-N 0 3 363.867 2.504 20 5 FFBDHN C[S@](=O)c1ccc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000618571898 521130124 /nfs/dbraw/zinc/13/01/24/521130124.db2.gz NHHSROLLOHXJJM-RKPUJPDHSA-N 0 3 362.455 2.802 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(C[C@@H]1COCCO1)C(F)(F)F ZINC000596618445 521167775 /nfs/dbraw/zinc/16/77/75/521167775.db2.gz BGTUGYLZUVZFJU-VXGBXAGGSA-N 0 3 362.304 2.826 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](OC(F)F)C1 ZINC000611578668 521231982 /nfs/dbraw/zinc/23/19/82/521231982.db2.gz QXULITQCXLQXFH-ZDUSSCGKSA-N 0 3 357.357 2.935 20 5 FFBDHN COC(=O)[C@@](C)(NCCN1C[C@H](C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599651151 521362049 /nfs/dbraw/zinc/36/20/49/521362049.db2.gz HLBHHIAMIPDAES-KHYOSLBOSA-N 0 3 363.458 2.551 20 5 FFBDHN COc1ccc(NC(=O)CCN[C@@H](C)c2cnccc2C)c([N+](=O)[O-])c1 ZINC000611938878 521401906 /nfs/dbraw/zinc/40/19/06/521401906.db2.gz AVULYUKONLXCQL-ZDUSSCGKSA-N 0 3 358.398 2.986 20 5 FFBDHN COC[C@H](NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000602543724 521403627 /nfs/dbraw/zinc/40/36/27/521403627.db2.gz FZEGLDYSVNOTQT-SFHVURJKSA-N 0 3 356.426 2.936 20 5 FFBDHN Cc1noc(CCCNCc2cc(Br)c([N+](=O)[O-])s2)n1 ZINC000602543080 521404390 /nfs/dbraw/zinc/40/43/90/521404390.db2.gz HFOGVWRMEZHQNQ-UHFFFAOYSA-N 0 3 361.221 2.833 20 5 FFBDHN O=[N+]([O-])c1sc(CN[C@H]2CCn3ccnc3C2)cc1Br ZINC000602624232 521441783 /nfs/dbraw/zinc/44/17/83/521441783.db2.gz SVCVMCXYEZYQRO-QMMMGPOBSA-N 0 3 357.233 2.720 20 5 FFBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594195336 521461728 /nfs/dbraw/zinc/46/17/28/521461728.db2.gz FWGHRDIXEQXOAH-QZTJIDSGSA-N 0 3 356.426 2.752 20 5 FFBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000594197198 521462808 /nfs/dbraw/zinc/46/28/08/521462808.db2.gz AXHSBNSJFXCAKB-IRXDYDNUSA-N 0 3 372.469 2.942 20 5 FFBDHN CS(=O)(=O)CCCCNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602696399 521483782 /nfs/dbraw/zinc/48/37/82/521483782.db2.gz ZBJHSJWLTXTRQM-UHFFFAOYSA-N 0 3 354.350 2.528 20 5 FFBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597093487 521499357 /nfs/dbraw/zinc/49/93/57/521499357.db2.gz WNMLMKJSNWUYQB-JQWIXIFHSA-N 0 3 367.837 2.921 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(OCc2ccc(F)cc2)CC1 ZINC000602799088 521540718 /nfs/dbraw/zinc/54/07/18/521540718.db2.gz RJCZMNGTOLAHRY-UHFFFAOYSA-N 0 3 362.405 2.920 20 5 FFBDHN COc1cc(CNC[C@@H](c2ccnn2C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000615943172 521584403 /nfs/dbraw/zinc/58/44/03/521584403.db2.gz NNNQXUWNPKSOIQ-CQSZACIVSA-N 0 3 362.430 2.875 20 5 FFBDHN C[C@H]1CCC[N@@H+](C(C)(C)CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736267996 598367619 /nfs/dbraw/zinc/36/76/19/598367619.db2.gz VUHPMPIIHYHJMU-LBPRGKRZSA-N 0 3 359.434 2.697 20 5 FFBDHN C[C@H]1CCC[N@H+](C(C)(C)CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736267996 598367620 /nfs/dbraw/zinc/36/76/20/598367620.db2.gz VUHPMPIIHYHJMU-LBPRGKRZSA-N 0 3 359.434 2.697 20 5 FFBDHN C[C@H]1CCC[N@@H+](C(C)(C)CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736267996 598367623 /nfs/dbraw/zinc/36/76/23/598367623.db2.gz VUHPMPIIHYHJMU-LBPRGKRZSA-N 0 3 359.434 2.697 20 5 FFBDHN C[C@H]1CCC[N@H+](C(C)(C)CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736267996 598367625 /nfs/dbraw/zinc/36/76/25/598367625.db2.gz VUHPMPIIHYHJMU-LBPRGKRZSA-N 0 3 359.434 2.697 20 5 FFBDHN C[C@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000736027062 598676212 /nfs/dbraw/zinc/67/62/12/598676212.db2.gz WNHUJVOSJQGDBX-CYBMUJFWSA-N 0 3 367.413 2.707 20 5 FFBDHN C[C@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000736027062 598676214 /nfs/dbraw/zinc/67/62/14/598676214.db2.gz WNHUJVOSJQGDBX-CYBMUJFWSA-N 0 3 367.413 2.707 20 5 FFBDHN CC(C)C[N@@H+]1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000820092428 607467580 /nfs/dbraw/zinc/46/75/80/607467580.db2.gz LPIAAYNYARXREY-ZDUSSCGKSA-N 0 3 359.434 2.555 20 5 FFBDHN CC(C)C[N@H+]1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000820092428 607467583 /nfs/dbraw/zinc/46/75/83/607467583.db2.gz LPIAAYNYARXREY-ZDUSSCGKSA-N 0 3 359.434 2.555 20 5 FFBDHN CC(C)C[N@@H+]1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000820092428 607467584 /nfs/dbraw/zinc/46/75/84/607467584.db2.gz LPIAAYNYARXREY-ZDUSSCGKSA-N 0 3 359.434 2.555 20 5 FFBDHN CC(C)C[N@H+]1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000820092428 607467586 /nfs/dbraw/zinc/46/75/86/607467586.db2.gz LPIAAYNYARXREY-ZDUSSCGKSA-N 0 3 359.434 2.555 20 5 FFBDHN C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000824600164 608488313 /nfs/dbraw/zinc/48/83/13/608488313.db2.gz WXBATRFAOWNURC-GFCCVEGCSA-N 0 3 354.370 2.505 20 5 FFBDHN C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000824600164 608488314 /nfs/dbraw/zinc/48/83/14/608488314.db2.gz WXBATRFAOWNURC-GFCCVEGCSA-N 0 3 354.370 2.505 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@H]1N1CCCC1 ZINC000860788843 730547617 /nfs/dbraw/zinc/54/76/17/730547617.db2.gz VJZPPTBYDXMMHN-ZIAGYGMSSA-N 0 3 369.874 2.900 20 5 FFBDHN CN1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3C(F)F)CC2)CC1 ZINC000866211487 731041127 /nfs/dbraw/zinc/04/11/27/731041127.db2.gz IKKYPMZMIBBYTA-UHFFFAOYSA-N 0 3 354.401 2.749 20 5 FFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000866854647 731109131 /nfs/dbraw/zinc/10/91/31/731109131.db2.gz JGCVQWGVOUOELP-OLZOCXBDSA-N 0 3 373.450 2.536 20 5 FFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000866854649 731109177 /nfs/dbraw/zinc/10/91/77/731109177.db2.gz JGCVQWGVOUOELP-STQMWFEESA-N 0 3 373.450 2.536 20 5 FFBDHN O=[N+]([O-])c1sc(CN[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)cc1Br ZINC000877682705 732413062 /nfs/dbraw/zinc/41/30/62/732413062.db2.gz PGBZRUWCWJLYMH-PSYIXQSTSA-N 0 3 359.245 2.932 20 5 FFBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1C[C@H](O)C12CCOCC2 ZINC000927155775 738698045 /nfs/dbraw/zinc/69/80/45/738698045.db2.gz XJBQTCNMHFZXIR-XZJROXQQSA-N 0 3 352.456 2.897 20 5 FFBDHN Cc1cc(Cl)c(C(=O)NC[C@@H]2CCN2C2CCOCC2)cc1[N+](=O)[O-] ZINC000885886582 733726109 /nfs/dbraw/zinc/72/61/09/733726109.db2.gz ZLZAOTJEEKIRPA-ZDUSSCGKSA-N 0 3 367.833 2.540 20 5 FFBDHN COc1c(O)ccc(CNC[C@H](c2ccsc2)N(C)C)c1[N+](=O)[O-] ZINC000892507806 734567685 /nfs/dbraw/zinc/56/76/85/734567685.db2.gz CGAVTDTVDGPGKO-CYBMUJFWSA-N 0 3 351.428 2.763 20 5 FFBDHN CO[C@H](CNCc1ccc(Br)cc1[N+](=O)[O-])C1CCOCC1 ZINC000895611180 735031877 /nfs/dbraw/zinc/03/18/77/735031877.db2.gz SKBLJKFWSJSRSX-OAHLLOKOSA-N 0 3 373.247 2.889 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000758790067 736521226 /nfs/dbraw/zinc/52/12/26/736521226.db2.gz FVIFAYDQCBUTDZ-HUUCEWRRSA-N 0 3 369.874 2.900 20 5 FFBDHN CC(C)[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000915221700 737616184 /nfs/dbraw/zinc/61/61/84/737616184.db2.gz HQFNXFRHGLIUOU-QGZVFWFLSA-N 0 3 369.487 2.630 20 5 FFBDHN O=[N+]([O-])c1ccc(NC2CCN(C[C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000917063959 737738862 /nfs/dbraw/zinc/73/88/62/737738862.db2.gz FLPUUQKFCQQCQR-AWEZNQCLSA-N 0 3 350.375 2.558 20 5 FFBDHN C[C@@H]1CN(C2CCOCC2)CCN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000784669621 738911455 /nfs/dbraw/zinc/91/14/55/738911455.db2.gz VRVZYPPNFYDFQO-GFCCVEGCSA-N 0 3 362.455 2.894 20 5 FFBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000805821694 741014051 /nfs/dbraw/zinc/01/40/51/741014051.db2.gz MGSIHPOPHPTYNA-IAGOWNOFSA-N 0 3 350.802 2.995 20 5 FFBDHN CC(COC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)[N+](=O)[O-] ZINC000813103910 741677529 /nfs/dbraw/zinc/67/75/29/741677529.db2.gz IAQKNKYAQSADBD-JEYLPNPQSA-N 0 3 354.447 2.840 20 5 FFBDHN CN(C)C(=O)OC1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000815187548 741909891 /nfs/dbraw/zinc/90/98/91/741909891.db2.gz FOORENXVZGAIFT-UHFFFAOYSA-N 0 3 351.403 2.526 20 5 FFBDHN CN(C[C@H]1CCCN1C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000817676529 742195159 /nfs/dbraw/zinc/19/51/59/742195159.db2.gz IMHOTVUBXUYUMU-SNVBAGLBSA-N 0 3 374.210 2.663 20 5 FFBDHN CN(Cc1ccccc1)C[C@H](O)COc1ccc([N+](=O)[O-])c(F)c1F ZINC000834388039 745829288 /nfs/dbraw/zinc/82/92/88/745829288.db2.gz ODUCPGSHIWVAQD-ZDUSSCGKSA-N 0 3 352.337 2.745 20 5 FFBDHN O=[N+]([O-])c1ccc([C@H](O)CNCc2cccc3c2OC(F)(F)O3)cc1 ZINC000840893676 747216359 /nfs/dbraw/zinc/21/63/59/747216359.db2.gz KVPCYLGHZGRLST-CYBMUJFWSA-N 0 3 352.293 2.740 20 5 FFBDHN Cc1cnc(COCC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])o1 ZINC000845883030 748344110 /nfs/dbraw/zinc/34/41/10/748344110.db2.gz QZGMVOCKIOJEOY-BZNIZROVSA-N 0 3 352.318 2.588 20 5 FFBDHN COCc1ncc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])s1 ZINC000845883783 748344493 /nfs/dbraw/zinc/34/44/93/748344493.db2.gz VXTSAXDWKAGQMC-YMTOWFKASA-N 0 3 354.359 2.992 20 5 FFBDHN COc1ccc(CNC[C@H](O)c2cc(F)c(F)c(F)c2)cc1[N+](=O)[O-] ZINC000850418702 749362423 /nfs/dbraw/zinc/36/24/23/749362423.db2.gz PJUVOKLDOHMMSA-AWEZNQCLSA-N 0 3 356.300 2.844 20 5 FFBDHN CCOC(=O)NC1CCC(NCc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000850431415 749363932 /nfs/dbraw/zinc/36/39/32/749363932.db2.gz CYHYSYYQJSWNSQ-UHFFFAOYSA-N 0 3 351.403 2.750 20 5 FFBDHN O=[N+]([O-])c1ccc(Br)cc1NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000252565335 845770980 /nfs/dbraw/zinc/77/09/80/845770980.db2.gz YTOONPZCDIWBCI-NWDGAFQWSA-N 0 3 356.220 2.632 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2csc(N3CC[C@@H]4[C@@H]3CCCN4CCO)n2)cc1 ZINC000897219827 973456871 /nfs/dbraw/zinc/45/68/71/973456871.db2.gz OSXYDZICGXNUBY-SJORKVTESA-N 0 3 374.466 2.754 20 5 FFBDHN O=[N+]([O-])c1ccc(O[C@H]2CN3CCC2CC3)cc1I ZINC001227991557 979082262 /nfs/dbraw/zinc/08/22/62/979082262.db2.gz GSLMQOYUOFZQAH-ZDUSSCGKSA-N 0 3 374.178 2.672 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3C[C@H](O)C34CCOCC4)o2)cc1 ZINC000923022032 990793705 /nfs/dbraw/zinc/79/37/05/990793705.db2.gz VYZAPHBBFBLKFG-ROUUACIJSA-N 0 3 358.394 2.874 20 5 FFBDHN COc1nc(-n2c(-c3ccccc3)cnc2[C@H](C)N)nc(C)c1[N+](=O)[O-] ZINC001170680579 995464995 /nfs/dbraw/zinc/46/49/95/995464995.db2.gz ZQRHAEDXPFJNGM-JTQLQIEISA-N 0 3 354.370 2.574 20 5 FFBDHN CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)OCC(C)[N+](=O)[O-] ZINC000813106127 995624250 /nfs/dbraw/zinc/62/42/50/995624250.db2.gz YZXYGZOBWXMKRY-HBVLHIRESA-N 0 3 366.458 2.552 20 5 FFBDHN CC(COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1)[N+](=O)[O-] ZINC000813114245 995625616 /nfs/dbraw/zinc/62/56/16/995625616.db2.gz OGWUJNYOBYHGGD-XBVQOTNRSA-N 0 3 360.410 2.668 20 5 FFBDHN CC([C@@H](OC(=O)CCc1ccc(C(N)=O)cc1)c1ccccc1F)[N+](=O)[O-] ZINC000845877693 998677056 /nfs/dbraw/zinc/67/70/56/998677056.db2.gz GCNHWZZZJCVDDU-KPZWWZAWSA-N 0 3 374.368 2.807 20 5 FFBDHN Cc1c(C(=O)NCCN2CCCC(C)(C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000769706785 1000582969 /nfs/dbraw/zinc/58/29/69/1000582969.db2.gz FNKYHTNNUNEOGA-UHFFFAOYSA-N 0 3 364.402 2.663 20 5 FFBDHN O=C(CCN1CCc2ccccc2C1)OCCOc1ccc([N+](=O)[O-])cc1 ZINC000786821758 1001633821 /nfs/dbraw/zinc/63/38/21/1001633821.db2.gz QMAFKTIETADXQW-UHFFFAOYSA-N 0 3 370.405 2.965 20 5 FFBDHN COc1ccc(C[C@@H](C)N2CCCc3ccc(CN)nc32)c([N+](=O)[O-])c1 ZINC001170305355 1003092877 /nfs/dbraw/zinc/09/28/77/1003092877.db2.gz JLLQLSHCDONVEZ-CYBMUJFWSA-N 0 3 356.426 2.841 20 5 FFBDHN COC(=O)[C@@H]1CCCN([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])[C@@H]1C ZINC001170345207 1003131551 /nfs/dbraw/zinc/13/15/51/1003131551.db2.gz HYRTVJQDWWWGBM-WOSRLPQWSA-N 0 3 350.415 2.808 20 5 FFBDHN COc1ccc(C[C@@H](C)N2CCCN(c3ncccn3)CC2)c([N+](=O)[O-])c1 ZINC001170344679 1003131991 /nfs/dbraw/zinc/13/19/91/1003131991.db2.gz FCTKHVVTBTXLHY-OAHLLOKOSA-N 0 3 371.441 2.537 20 5 FFBDHN COc1ccc(C[C@H](C)N2CCC(N3CC(F)C3)CC2)c([N+](=O)[O-])c1 ZINC001170348734 1003133523 /nfs/dbraw/zinc/13/35/23/1003133523.db2.gz ZZBKAUZVODGTAD-ZDUSSCGKSA-N 0 3 351.422 2.653 20 5 FFBDHN CC[C@@H](C)N[C@@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N)c1ccco1 ZINC000807680356 1004660773 /nfs/dbraw/zinc/66/07/73/1004660773.db2.gz PGRDYJGHLZSGFH-OCCSQVGLSA-N 0 3 360.414 2.938 20 5 FFBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@H](c3ccccc3)[C@H](CO)C2)c1 ZINC000852520683 1006063184 /nfs/dbraw/zinc/06/31/84/1006063184.db2.gz NCESZVJEKVNIKV-SXLOBPIMSA-N 0 3 356.422 2.726 20 5 FFBDHN CC1(C)CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC001134811232 1006487506 /nfs/dbraw/zinc/48/75/06/1006487506.db2.gz ORCHSGUIQCYTAY-UHFFFAOYSA-N 0 3 357.357 2.658 20 5 FFBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@@H](O)c3cc4ccccc4o3)C2)nc1 ZINC000815070008 1006507273 /nfs/dbraw/zinc/50/72/73/1006507273.db2.gz NWOHOCPZWOIKME-GOEBONIOSA-N 0 3 368.393 2.956 20 5 FFBDHN C[C@H](c1ccccc1)N1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000882810896 1006515250 /nfs/dbraw/zinc/51/52/50/1006515250.db2.gz GPOBHOPZBBZFPD-CQSZACIVSA-N 0 3 356.426 2.553 20 5 FFBDHN O=C(NC[C@@H]1CCN1C1CCOCC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000885891686 1007824818 /nfs/dbraw/zinc/82/48/18/1007824818.db2.gz WULWOSADQFOESA-INIZCTEOSA-N 0 3 369.421 2.731 20 5 FFBDHN Cc1ccc([C@@H](C)NC[C@H](O)CN(C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000819135809 1008039547 /nfs/dbraw/zinc/03/95/47/1008039547.db2.gz FYICECFRKXAFOE-HIFRSBDPSA-N 0 3 367.446 2.782 20 5 FFBDHN Cc1ccc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)c(N2CCOCC2)c1 ZINC000819148449 1008043654 /nfs/dbraw/zinc/04/36/54/1008043654.db2.gz XESCWMKCBNDLMX-FQEVSTJZSA-N 0 3 371.437 2.563 20 5 FFBDHN Cc1ccc(N2CCC[C@H](NC[C@H](O)c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000819111811 1008047235 /nfs/dbraw/zinc/04/72/35/1008047235.db2.gz VYCKYJRKTNDMSB-OALUTQOASA-N 0 3 369.421 2.722 20 5 FFBDHN Cc1cc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)cc(N2CCCC2)n1 ZINC000819320640 1008112068 /nfs/dbraw/zinc/11/20/68/1008112068.db2.gz HMJQEOPWSHBGFO-SFHVURJKSA-N 0 3 356.426 2.722 20 5 FFBDHN O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000794588363 1010392284 /nfs/dbraw/zinc/39/22/84/1010392284.db2.gz SSWWTSTVFBHJQT-HNNXBMFYSA-N 0 3 359.357 2.553 20 5 FFBDHN COC(=O)c1csc(CN[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)n1 ZINC001172895466 1012096476 /nfs/dbraw/zinc/09/64/76/1012096476.db2.gz DZDLKDDMVJEBBZ-CYBMUJFWSA-N 0 3 361.423 2.875 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1CCN3CC(F)(F)C[C@H]3C1)CC2 ZINC001172922468 1012101293 /nfs/dbraw/zinc/10/12/93/1012101293.db2.gz XZYXFOBDQVRXDK-RDJZCZTQSA-N 0 3 351.397 2.867 20 5 FFBDHN Cc1cc(N2CCN([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)ncn1 ZINC001172911423 1012122671 /nfs/dbraw/zinc/12/26/71/1012122671.db2.gz BREINMVQSJDQGU-GOSISDBHSA-N 0 3 367.453 2.763 20 5 FFBDHN O=[N+]([O-])c1cc(F)c(N2CCC(N3CC4(C3)CCOC4)CC2)c(F)c1 ZINC001173010781 1012181872 /nfs/dbraw/zinc/18/18/72/1012181872.db2.gz AVIWMHBIOLBYEY-UHFFFAOYSA-N 0 3 353.369 2.564 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N(C)[C@@H]2CCCN(C(C)=O)C2)c1F ZINC001173191459 1012332841 /nfs/dbraw/zinc/33/28/41/1012332841.db2.gz FKBXUVGSJHVORN-GXTWGEPZSA-N 0 3 367.421 2.616 20 5 FFBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CN3CCC[C@H]3CO2)c(Br)c1 ZINC000252539383 1012559100 /nfs/dbraw/zinc/55/91/00/1012559100.db2.gz BMPJQSJHTCPVEQ-NWDGAFQWSA-N 0 3 356.220 2.632 20 5 FFBDHN CCOc1cc(C(=O)N2CCN(C)C(C)(C)CC2)c([N+](=O)[O-])cc1OC ZINC000871150680 1012749930 /nfs/dbraw/zinc/74/99/30/1012749930.db2.gz RQPWTGQDWXCSBG-UHFFFAOYSA-N 0 3 365.430 2.558 20 5 FFBDHN C[C@@H]1[C@H](NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CCN1C ZINC000928436247 1018978606 /nfs/dbraw/zinc/97/86/06/1018978606.db2.gz BDTMIPRRJYZQNH-RDTXWAMCSA-N 0 3 369.421 2.996 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCc2ccccc2OC1 ZINC000801575851 1019134598 /nfs/dbraw/zinc/13/45/98/1019134598.db2.gz MDCNWQFRCVNJFE-HNNXBMFYSA-N 0 3 355.394 2.825 20 5 FFBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@](CO)(c3ccccc3)C2)cc1 ZINC000801580568 1019138750 /nfs/dbraw/zinc/13/87/50/1019138750.db2.gz MZRAKPHZTQPLOD-UXHICEINSA-N 0 3 356.422 2.654 20 5 FFBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)N(C)Cc1ccccc1 ZINC000801891458 1019490130 /nfs/dbraw/zinc/49/01/30/1019490130.db2.gz LWROOOPGGHQZFR-LBPRGKRZSA-N 0 3 360.389 2.566 20 5 FFBDHN Cn1nc(-c2nc(-c3ccc4ccc5cccnc5c4n3)no2)c2c1CNC2 ZINC001217689858 1032839209 /nfs/dbraw/zinc/83/92/09/1032839209.db2.gz YBEWVKUVTAJPPZ-UHFFFAOYSA-N 0 3 369.388 2.837 20 5 FFBDHN COc1ccc(CN(CCCO)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000934505743 1021267201 /nfs/dbraw/zinc/26/72/01/1021267201.db2.gz YVSGHPZTNUNMEK-LJQANCHMSA-N 0 3 360.410 2.521 20 5 FFBDHN C/C(=C/C(=O)N1CCCN(C[C@H]2CCCO2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000751690053 1022911687 /nfs/dbraw/zinc/91/16/87/1022911687.db2.gz YEDWAWLCUWRYNG-WLGQOEQESA-N 0 3 373.453 2.711 20 5 FFBDHN Cc1cc(C)cc([C@@H](O)CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000245458951 1025434893 /nfs/dbraw/zinc/43/48/93/1025434893.db2.gz VCKYFGMYZQNWQK-AEFFLSMTSA-N 0 3 356.426 2.826 20 5 FFBDHN Cc1ccccc1[C@H](CO)NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782531735 1029734592 /nfs/dbraw/zinc/73/45/92/1029734592.db2.gz SIVYDIPYOFAROY-KRWDZBQOSA-N 0 3 361.373 2.694 20 5 FFBDHN Cc1ccc(N(C)[C@H]2CCCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)cc1 ZINC000784375012 1030594520 /nfs/dbraw/zinc/59/45/20/1030594520.db2.gz PHXWMUGDEHNUKG-SFHVURJKSA-N 0 3 370.453 2.666 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ncn(CN3CCC[C@H]3[C@H]3CCCOC3)n2)cc1 ZINC000842613232 1030823250 /nfs/dbraw/zinc/82/32/50/1030823250.db2.gz BEIIXWLQJIEDCH-RDJZCZTQSA-N 0 3 357.414 2.702 20 5 FFBDHN CN(C)c1cc(F)c(C(=O)NC[C@H]2CCCCN2C2CC2)cc1[N+](=O)[O-] ZINC000830529802 1033658605 /nfs/dbraw/zinc/65/86/05/1033658605.db2.gz POCYDAPYLGDUPW-CYBMUJFWSA-N 0 3 364.421 2.547 20 5 FFBDHN COc1cc(O[C@H](C)C[N+](C)(C)C)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227645851 1035653681 /nfs/dbraw/zinc/65/36/81/1035653681.db2.gz KHBKSLKYVOFXEQ-LLVKDONJSA-O 0 3 374.413 2.840 20 5 FFBDHN O=C(NC[C@H]1CCCCN1CCO)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001210683434 1039669480 /nfs/dbraw/zinc/66/94/80/1039669480.db2.gz UCIFTXSDARGSGU-CQSZACIVSA-N 0 3 372.425 2.716 20 5 FFBDHN C[C@@H]1CN[C@@H](C)[C@@H](C)N1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001263202343 1042168982 /nfs/dbraw/zinc/16/89/82/1042168982.db2.gz XKZKIJABCFUIPT-GRYCIOLGSA-N 0 3 360.439 2.929 20 5 FFBDHN CCOP(=O)(OCC)[C@H](O)CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001327511189 1047927668 /nfs/dbraw/zinc/92/76/68/1047927668.db2.gz DRBQZSJGOLOOFQ-HNNXBMFYSA-N 0 3 358.331 2.537 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CN[C@@H]2CCOC[C@H]2O)o1 ZINC001330639638 1049244191 /nfs/dbraw/zinc/24/41/91/1049244191.db2.gz UASNFJPVBXZFJC-UKRRQHHQSA-N 0 3 352.774 2.748 20 5 FFBDHN Cc1ccc([C@@H](C)NCCN2C(=O)COc3ccccc32)cc1[N+](=O)[O-] ZINC001341684615 1050306667 /nfs/dbraw/zinc/30/66/67/1050306667.db2.gz PQJYBMXDRXKVNZ-CQSZACIVSA-N 0 3 355.394 2.979 20 5 FFBDHN C[C@@H](CNC(=O)c1ccc2c(c1)OCCNC2)c1ccccc1[N+](=O)[O-] ZINC001342945528 1051560020 /nfs/dbraw/zinc/56/00/20/1051560020.db2.gz VHRQGUKYRNUOAD-ZDUSSCGKSA-N 0 3 355.394 2.610 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2C[C@@H]2Cc2ccccc2)cc1 ZINC001335396904 1053335746 /nfs/dbraw/zinc/33/57/46/1053335746.db2.gz LAWOKYFTHTZWHB-MAUKXSAKSA-N 0 3 360.435 2.589 20 5 FFBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc([C@H]2CCCN(C)C2)n1C ZINC001338487660 1055559401 /nfs/dbraw/zinc/55/94/01/1055559401.db2.gz JHCFLASWHKJJGL-INIZCTEOSA-N 0 3 372.473 2.948 20 5 FFBDHN CN(C)CCONC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC001451414377 1059110970 /nfs/dbraw/zinc/11/09/70/1059110970.db2.gz FEOIQKBIJNSZSM-UHFFFAOYSA-N 0 3 361.423 2.969 20 5 FFBDHN Cc1ccc(Sc2ccc(CNC[C@@H](O)[C@H](C)O)cc2[N+](=O)[O-])cc1 ZINC001461670191 1061373177 /nfs/dbraw/zinc/37/31/77/1061373177.db2.gz OYJLIIPRFLRAGM-SUMWQHHRSA-N 0 3 362.451 2.886 20 5 FFBDHN CCCN(CCN(CC)CC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC001463487997 1062127047 /nfs/dbraw/zinc/12/70/47/1062127047.db2.gz CPCAHNYQNNQHTB-UHFFFAOYSA-N 0 3 371.503 2.954 20 5 FFBDHN CC1(C)CCN(CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC001440034345 1063252282 /nfs/dbraw/zinc/25/22/82/1063252282.db2.gz NWWRTVLAYUPCRR-UHFFFAOYSA-N 0 3 370.247 2.819 20 5 FFBDHN C[C@@H](C(=O)Nc1ccc2c(c1)OCCNC2)c1ccc([N+](=O)[O-])cc1F ZINC001575082488 1078104057 /nfs/dbraw/zinc/10/40/57/1078104057.db2.gz PHGHSGVAFFTOFF-LLVKDONJSA-N 0 3 359.357 2.958 20 5 FFBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCN[C@@H](c2ccccc2)C1 ZINC001472883092 1065166988 /nfs/dbraw/zinc/16/69/88/1065166988.db2.gz FFROWZNUBYKTHI-MRXNPFEDSA-N 0 3 355.394 2.841 20 5 FFBDHN COC1(OC)CC(CNCc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001474303478 1065489104 /nfs/dbraw/zinc/48/91/04/1065489104.db2.gz BDAQVYQTDRMGPE-UHFFFAOYSA-N 0 3 359.220 2.846 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)CC[C@H]2CCCCN2C)cc1F ZINC001561309337 1076360484 /nfs/dbraw/zinc/36/04/84/1076360484.db2.gz XVSUTUZMTMKEQX-CYBMUJFWSA-N 0 3 373.450 2.537 20 5 FFBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC001562587476 1076505796 /nfs/dbraw/zinc/50/57/96/1076505796.db2.gz GDGPNEHVTAUEHQ-GUYCJALGSA-N 0 3 357.414 2.533 20 5 FFBDHN CC(C)[N@H+](CCc1nccs1)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589695763 1080673974 /nfs/dbraw/zinc/67/39/74/1080673974.db2.gz VFEFUVQXWMOUIQ-UHFFFAOYSA-N 0 3 373.442 2.685 20 5 FFBDHN CC(C)[N@@H+](CCc1nccs1)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589695763 1080673978 /nfs/dbraw/zinc/67/39/78/1080673978.db2.gz VFEFUVQXWMOUIQ-UHFFFAOYSA-N 0 3 373.442 2.685 20 5 FFBDHN CC(C)[N@H+](CCc1nccs1)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589695763 1080673980 /nfs/dbraw/zinc/67/39/80/1080673980.db2.gz VFEFUVQXWMOUIQ-UHFFFAOYSA-N 0 3 373.442 2.685 20 5 FFBDHN CC(C)[N@@H+](CCc1nccs1)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589695763 1080673987 /nfs/dbraw/zinc/67/39/87/1080673987.db2.gz VFEFUVQXWMOUIQ-UHFFFAOYSA-N 0 3 373.442 2.685 20 5 FFBDHN C[C@@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+](C)C ZINC001589980795 1080920194 /nfs/dbraw/zinc/92/01/94/1080920194.db2.gz FEOQNZQPSFVWAK-PXAZEXFGSA-N 0 3 367.413 2.878 20 5 FFBDHN C[C@@H]1CCC[N@@H+](C(C)(C)CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001590258718 1081127922 /nfs/dbraw/zinc/12/79/22/1081127922.db2.gz CDBCQEDHGHOSRH-GFCCVEGCSA-N 0 3 359.434 2.697 20 5 FFBDHN C[C@@H]1CCC[N@H+](C(C)(C)CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001590258718 1081127925 /nfs/dbraw/zinc/12/79/25/1081127925.db2.gz CDBCQEDHGHOSRH-GFCCVEGCSA-N 0 3 359.434 2.697 20 5 FFBDHN C[C@@H]1CCC[N@@H+](C(C)(C)CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001590258718 1081127926 /nfs/dbraw/zinc/12/79/26/1081127926.db2.gz CDBCQEDHGHOSRH-GFCCVEGCSA-N 0 3 359.434 2.697 20 5 FFBDHN C[C@@H]1CCC[N@H+](C(C)(C)CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001590258718 1081127928 /nfs/dbraw/zinc/12/79/28/1081127928.db2.gz CDBCQEDHGHOSRH-GFCCVEGCSA-N 0 3 359.434 2.697 20 5 FFBDHN C[C@@H]1CCCC[N@@H+]1CCCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590258376 1081127988 /nfs/dbraw/zinc/12/79/88/1081127988.db2.gz CCPAXNADICHZQW-CYBMUJFWSA-N 0 3 359.434 2.841 20 5 FFBDHN C[C@@H]1CCCC[N@H+]1CCCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590258376 1081127989 /nfs/dbraw/zinc/12/79/89/1081127989.db2.gz CCPAXNADICHZQW-CYBMUJFWSA-N 0 3 359.434 2.841 20 5 FFBDHN C[C@@H]1CCCC[N@@H+]1CCCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590258376 1081127992 /nfs/dbraw/zinc/12/79/92/1081127992.db2.gz CCPAXNADICHZQW-CYBMUJFWSA-N 0 3 359.434 2.841 20 5 FFBDHN C[C@@H]1CCCC[N@H+]1CCCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590258376 1081127994 /nfs/dbraw/zinc/12/79/94/1081127994.db2.gz CCPAXNADICHZQW-CYBMUJFWSA-N 0 3 359.434 2.841 20 5 FFBDHN COc1cc(CNC[C@@H](c2ccco2)N2CCCC2)c([N+](=O)[O-])cc1O ZINC000101588792 250081634 /nfs/dbraw/zinc/08/16/34/250081634.db2.gz RWZSSMSAKFMPNX-HNNXBMFYSA-N 0 3 361.398 2.829 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)CN2CCCCC2)cc1SC ZINC000103069352 250133176 /nfs/dbraw/zinc/13/31/76/250133176.db2.gz UUZDRHYHYDGGFK-LBPRGKRZSA-N 0 3 367.471 2.930 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)N(C)C2CC2)cc1SC ZINC000103085385 250135463 /nfs/dbraw/zinc/13/54/63/250135463.db2.gz PGNDCULKVSIOLX-JTQLQIEISA-N 0 3 353.444 2.538 20 5 FFBDHN COc1cc(CNC[C@@H](C)C[C@@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000272388168 252026392 /nfs/dbraw/zinc/02/63/92/252026392.db2.gz IOFZLHCHKCJROP-WDEREUQCSA-N 0 3 362.373 2.744 20 5 FFBDHN Cn1ccnc1[C@H](NC1CCN(C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000272584444 252073944 /nfs/dbraw/zinc/07/39/44/252073944.db2.gz YWIXOFOPHZFXRU-GOSISDBHSA-N 0 3 355.442 2.634 20 5 FFBDHN CS[C@@H]1CN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C[C@H]1N(C)C ZINC000272625313 252084756 /nfs/dbraw/zinc/08/47/56/252084756.db2.gz VPHMIHHSDDZAOR-ZIAGYGMSSA-N 0 3 352.460 2.721 20 5 FFBDHN CS[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1N1CCCC1 ZINC000275810986 256050197 /nfs/dbraw/zinc/05/01/97/256050197.db2.gz QAGVQHZPMOLNBB-CABCVRRESA-N 0 3 350.444 2.638 20 5 FFBDHN Cc1noc(C[C@@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000277075211 256158820 /nfs/dbraw/zinc/15/88/20/256158820.db2.gz DXPQXGKEKKXLCW-MSOLQXFVSA-N 0 3 368.393 2.893 20 5 FFBDHN Cc1ccc(NC(=O)NCCCN2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000277342289 256187352 /nfs/dbraw/zinc/18/73/52/256187352.db2.gz DGNIKSPGRIZFME-CQSZACIVSA-N 0 3 350.419 2.526 20 5 FFBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000277645598 256221351 /nfs/dbraw/zinc/22/13/51/256221351.db2.gz SEOJFBZXAXPZQJ-MDJJKAFGSA-N 0 3 361.442 2.615 20 5 FFBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000277964386 256260973 /nfs/dbraw/zinc/26/09/73/256260973.db2.gz KXNNIFOATPOXTI-HNNXBMFYSA-N 0 3 357.863 2.724 20 5 FFBDHN CN(CCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000278386538 256306834 /nfs/dbraw/zinc/30/68/34/256306834.db2.gz DJHVDUKJVWUCSB-UHFFFAOYSA-N 0 3 360.336 2.507 20 5 FFBDHN CCN1CCCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000279147460 256386637 /nfs/dbraw/zinc/38/66/37/256386637.db2.gz ZVOGZZQIESILTB-UHFFFAOYSA-N 0 3 374.363 2.851 20 5 FFBDHN C[C@H](O)C[C@H]1CCCCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000286116975 257021012 /nfs/dbraw/zinc/02/10/12/257021012.db2.gz UPBZIHOCPDBYHV-XJKSGUPXSA-N 0 3 350.415 2.977 20 5 FFBDHN CC[C@H](C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)N(C)C ZINC000286297720 257029977 /nfs/dbraw/zinc/02/99/77/257029977.db2.gz PSMSHRUHFLDBGX-CYBMUJFWSA-N 0 3 370.247 2.582 20 5 FFBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(CCOC4CCC4)CC3)nc2c1 ZINC000287670151 257101664 /nfs/dbraw/zinc/10/16/64/257101664.db2.gz HQCOXRZMZZOQNP-UHFFFAOYSA-N 0 3 359.430 2.552 20 5 FFBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000288393267 257183643 /nfs/dbraw/zinc/18/36/43/257183643.db2.gz MLGRFZGVVLZLDI-GXTWGEPZSA-N 0 3 370.409 2.547 20 5 FFBDHN COc1ccc(C[C@@H](CO)CNCc2ccc([N+](=O)[O-])cc2C)cc1O ZINC000289456701 257282405 /nfs/dbraw/zinc/28/24/05/257282405.db2.gz NWMPPPZQYBZGCY-OAHLLOKOSA-N 0 3 360.410 2.558 20 5 FFBDHN COc1ccc(C[C@](C)(O)CNCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000289830612 257301980 /nfs/dbraw/zinc/30/19/80/257301980.db2.gz OGWUQPVUIDAJQP-IBGZPJMESA-N 0 3 360.410 2.695 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@@H]3CCCS(=O)(=O)C3)o2)c1 ZINC000290143202 257317238 /nfs/dbraw/zinc/31/72/38/257317238.db2.gz ODRBYHGWSRRNCH-ZDUSSCGKSA-N 0 3 364.423 2.769 20 5 FFBDHN CCC[C@@]1(CO)CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000290266985 257322787 /nfs/dbraw/zinc/32/27/87/257322787.db2.gz XJHPFXBRTDTOMF-LJQANCHMSA-N 0 3 358.442 2.980 20 5 FFBDHN NC(=O)c1ccnc(NCCN2CCC3(CCCCC3)CC2)c1[N+](=O)[O-] ZINC000290735433 257355253 /nfs/dbraw/zinc/35/52/53/257355253.db2.gz BHOSNJYVJQCHKS-UHFFFAOYSA-N 0 3 361.446 2.547 20 5 FFBDHN CN1CCC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)C2)C1 ZINC000294195845 257577934 /nfs/dbraw/zinc/57/79/34/257577934.db2.gz PUWOVRUVUISNHA-HXUWFJFHSA-N 0 3 372.469 2.753 20 5 FFBDHN COc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C)o2)cc1[N+](=O)[O-] ZINC000299332940 257984550 /nfs/dbraw/zinc/98/45/50/257984550.db2.gz HCJYMIPDQVCFRP-UHFFFAOYSA-N 0 3 361.398 2.709 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301964446 258078376 /nfs/dbraw/zinc/07/83/76/258078376.db2.gz NTATVLHSSDZEMN-HOCLYGCPSA-N 0 3 366.425 2.960 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@@H]1N(C)C ZINC000331473378 258187799 /nfs/dbraw/zinc/18/77/99/258187799.db2.gz KVIYIUIWOLMNNJ-SWLSCSKDSA-N 0 3 365.480 2.927 20 5 FFBDHN CC(C)(C)CCN1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065510406 506313680 /nfs/dbraw/zinc/31/36/80/506313680.db2.gz WFCUJLDHOISUHL-UHFFFAOYSA-N 0 3 362.474 2.901 20 5 FFBDHN Cn1ccnc1[C@@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000377267924 512194016 /nfs/dbraw/zinc/19/40/16/512194016.db2.gz RBYPAFAHIIOIJY-CQSZACIVSA-N 0 3 357.414 2.537 20 5 FFBDHN CN(CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)Cc1ccccc1 ZINC000065882128 506385501 /nfs/dbraw/zinc/38/55/01/506385501.db2.gz MVDXGXGFPQUYME-UHFFFAOYSA-N 0 3 366.421 2.798 20 5 FFBDHN O=C(CNc1ccccc1[N+](=O)[O-])N1CCN(CC2CCCCC2)CC1 ZINC000065901492 506389458 /nfs/dbraw/zinc/38/94/58/506389458.db2.gz BOAKQPUBNIBHMJ-UHFFFAOYSA-N 0 3 360.458 2.731 20 5 FFBDHN CN(C)[C@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000054645824 506593858 /nfs/dbraw/zinc/59/38/58/506593858.db2.gz NZOGRBJAKNNCSN-IBGZPJMESA-N 0 3 370.453 2.609 20 5 FFBDHN Cc1cccc(C(=O)N[C@@H]2[C@H]3CN(Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC000371283916 512306105 /nfs/dbraw/zinc/30/61/05/512306105.db2.gz MKWKINKTBBDVRI-PIIMJCKOSA-N 0 3 351.406 2.763 20 5 FFBDHN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@H]1CN1CCCCC1 ZINC000068133484 507125013 /nfs/dbraw/zinc/12/50/13/507125013.db2.gz WDWJWNANSOZYSU-INIZCTEOSA-N 0 3 360.458 2.874 20 5 FFBDHN CN1CCN(CCCNc2ncccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000046484442 507142333 /nfs/dbraw/zinc/14/23/33/507142333.db2.gz NFBASQOVWGZHCP-SFHVURJKSA-N 0 3 355.442 2.781 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000057348896 507244785 /nfs/dbraw/zinc/24/47/85/507244785.db2.gz NQNMGQUYQUGNBG-OAHLLOKOSA-N 0 3 352.394 2.923 20 5 FFBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCC(C)CC1 ZINC000047119959 507267480 /nfs/dbraw/zinc/26/74/80/507267480.db2.gz SMFLWMQLDRCCMH-AWEZNQCLSA-N 0 3 351.472 2.924 20 5 FFBDHN C[C@H]1CCCN(CCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000047145505 507271847 /nfs/dbraw/zinc/27/18/47/507271847.db2.gz NAXRHTMFLZTZFN-INIZCTEOSA-N 0 3 374.485 2.659 20 5 FFBDHN CN(C)C1(CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CCCC1 ZINC000068664686 507291599 /nfs/dbraw/zinc/29/15/99/507291599.db2.gz MXSBVILYMPYFDR-UHFFFAOYSA-N 0 3 371.441 2.846 20 5 FFBDHN Cc1cc(C(=O)NCC2CCN(Cc3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000023015811 507324852 /nfs/dbraw/zinc/32/48/52/507324852.db2.gz BPCICJVYNIEZDL-UHFFFAOYSA-N 0 3 368.437 2.940 20 5 FFBDHN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCN(c2ccncc2)CC1 ZINC000024086138 507391206 /nfs/dbraw/zinc/39/12/06/507391206.db2.gz AKZMNOJVSRSXCC-UHFFFAOYSA-N 0 3 367.409 2.527 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)c1 ZINC000060155557 507515813 /nfs/dbraw/zinc/51/58/13/507515813.db2.gz MBVXXSFMVLSLSY-GOSISDBHSA-N 0 3 357.410 2.945 20 5 FFBDHN CCc1ccc([C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000027596330 507670348 /nfs/dbraw/zinc/67/03/48/507670348.db2.gz ZAVDIECAEHNSCP-SFHVURJKSA-N 0 3 371.437 2.955 20 5 FFBDHN CCC[C@H](C)NC(=O)[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000051049483 507728112 /nfs/dbraw/zinc/72/81/12/507728112.db2.gz PZXFFLJUADVAOK-JKSUJKDBSA-N 0 3 363.458 2.990 20 5 FFBDHN CN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCN(C)CC1 ZINC000051468814 507771866 /nfs/dbraw/zinc/77/18/66/507771866.db2.gz OISZLHCYBDVRPE-UHFFFAOYSA-N 0 3 360.439 2.885 20 5 FFBDHN CN(C)CC(C)(C)CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000064113105 507784790 /nfs/dbraw/zinc/78/47/90/507784790.db2.gz MKDYLSDVYRJCIK-UHFFFAOYSA-N 0 3 359.430 2.559 20 5 FFBDHN Cc1c(CO)cc([N+](=O)[O-])c(NC[C@H](C)N2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000052160060 507800188 /nfs/dbraw/zinc/80/01/88/507800188.db2.gz SMDAVRFULWOKMB-RYUDHWBXSA-N 0 3 366.418 2.836 20 5 FFBDHN O=C1CCCCN1CC1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000072663682 507839348 /nfs/dbraw/zinc/83/93/48/507839348.db2.gz AZXCXMFJBZBVOH-UHFFFAOYSA-N 0 3 361.442 2.698 20 5 FFBDHN CCN(CC)CCC[C@@H](C)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000089619536 507851162 /nfs/dbraw/zinc/85/11/62/507851162.db2.gz YWCBWEJUBNHRGG-CYBMUJFWSA-N 0 3 357.476 2.921 20 5 FFBDHN C[C@H]1CCCN(c2ccc(C(=O)NCCN3CCCC3)cc2[N+](=O)[O-])C1 ZINC000072906454 507871878 /nfs/dbraw/zinc/87/18/78/507871878.db2.gz YYZXWKWSSAMLLB-HNNXBMFYSA-N 0 3 360.458 2.657 20 5 FFBDHN CN(CCCOc1cccc(Cl)c1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090518870 507924903 /nfs/dbraw/zinc/92/49/03/507924903.db2.gz NGUJXZZBSIZHFQ-UHFFFAOYSA-N 0 3 365.817 2.811 20 5 FFBDHN C[C@H](NC(=O)N1CCN(c2ccncc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000080045493 508029808 /nfs/dbraw/zinc/02/98/08/508029808.db2.gz YXCTWFHXAZKDKE-AWEZNQCLSA-N 0 3 355.398 2.583 20 5 FFBDHN CCN1CCCN(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000110815018 508049286 /nfs/dbraw/zinc/04/92/86/508049286.db2.gz XWTGUOLRQNFQRN-INIZCTEOSA-N 0 3 374.485 2.999 20 5 FFBDHN CN(c1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000074775069 508054307 /nfs/dbraw/zinc/05/43/07/508054307.db2.gz MMQQMEHXGKMFDR-QGZVFWFLSA-N 0 3 368.437 2.795 20 5 FFBDHN C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)CCN1Cc1ccccc1 ZINC000080230706 508054500 /nfs/dbraw/zinc/05/45/00/508054500.db2.gz ZEJJLJIALRSMQQ-HIFRSBDPSA-N 0 3 369.425 2.554 20 5 FFBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCCCC[NH+]1CCCCC1 ZINC000111357542 508093278 /nfs/dbraw/zinc/09/32/78/508093278.db2.gz GXSXKFXCVMEKGF-UHFFFAOYSA-N 0 3 355.460 2.529 20 5 FFBDHN C[C@@H]1CC(C)(C)C[C@](CO)(NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000080899244 508109793 /nfs/dbraw/zinc/10/97/93/508109793.db2.gz NXPZMEZJZKMWOB-AUUYWEPGSA-N 0 3 363.458 2.725 20 5 FFBDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000081126540 508140267 /nfs/dbraw/zinc/14/02/67/508140267.db2.gz LQBVJPUMDNBANL-KRWDZBQOSA-N 0 3 368.437 2.740 20 5 FFBDHN CC(=O)Nc1ccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000093534395 508148451 /nfs/dbraw/zinc/14/84/51/508148451.db2.gz DXJUBCHCGLGIGL-INIZCTEOSA-N 0 3 355.398 2.635 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCN2CCC(c3nnc4ccccn43)CC2)cc1 ZINC000112337104 508176221 /nfs/dbraw/zinc/17/62/21/508176221.db2.gz SGBWNSNLMCHJJR-UHFFFAOYSA-N 0 3 367.409 2.896 20 5 FFBDHN CC[C@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000112535473 508193677 /nfs/dbraw/zinc/19/36/77/508193677.db2.gz NVCYTRDBQKBRIH-KRWDZBQOSA-N 0 3 363.439 2.614 20 5 FFBDHN CC1CCN([C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)c2cccs2)CC1 ZINC000076460111 508209511 /nfs/dbraw/zinc/20/95/11/508209511.db2.gz NUNNRWWLEQUUNG-LBPRGKRZSA-N 0 3 362.459 2.914 20 5 FFBDHN COc1cc(CNC[C@H](C)CO)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000101594439 508249615 /nfs/dbraw/zinc/24/96/15/508249615.db2.gz QYNZELFXLRSSRG-AWEZNQCLSA-N 0 3 360.410 2.900 20 5 FFBDHN CCOC(=O)c1ccnc(NC[C@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000077902824 508390364 /nfs/dbraw/zinc/39/03/64/508390364.db2.gz CSIODHOSBBBMIL-OAHLLOKOSA-N 0 3 358.398 2.881 20 5 FFBDHN CCOC(=O)c1ccnc(N[C@@H](C)CN2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000077932960 508393366 /nfs/dbraw/zinc/39/33/66/508393366.db2.gz JKNIMFFTAQNWCI-STQMWFEESA-N 0 3 350.419 2.699 20 5 FFBDHN CC(C)CN1CCCC[C@H]1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000156388269 508412426 /nfs/dbraw/zinc/41/24/26/508412426.db2.gz BFMKIDBNXZOSRQ-KRWDZBQOSA-N 0 3 369.487 2.525 20 5 FFBDHN CCN1CCC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000152294333 508417191 /nfs/dbraw/zinc/41/71/91/508417191.db2.gz NAFBEPGKHCLLOZ-LBPRGKRZSA-N 0 3 370.247 2.500 20 5 FFBDHN C[C@@H]1CC[C@H](C)N1[C@@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000115844511 508446896 /nfs/dbraw/zinc/44/68/96/508446896.db2.gz BYUXXTADPYHLQU-QLFBSQMISA-N 0 3 367.471 2.621 20 5 FFBDHN CN(CCNC(=O)CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000115866815 508449238 /nfs/dbraw/zinc/44/92/38/508449238.db2.gz CDNYEYKPYPZICK-UHFFFAOYSA-N 0 3 357.410 2.612 20 5 FFBDHN CC(C)N(CCN(C)C)C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000156760317 508473030 /nfs/dbraw/zinc/47/30/30/508473030.db2.gz NCNZBLOWOAUPND-UHFFFAOYSA-N 0 3 358.236 2.770 20 5 FFBDHN CCOc1ccc([C@H](C)NC[C@@H](C)N2CCN(CC)CC2)cc1[N+](=O)[O-] ZINC000152908580 508530203 /nfs/dbraw/zinc/53/02/03/508530203.db2.gz WAMAQRXXSDLIOY-CVEARBPZSA-N 0 3 364.490 2.670 20 5 FFBDHN Cc1c(Br)cc(C(=O)NC[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000122526458 508548813 /nfs/dbraw/zinc/54/88/13/508548813.db2.gz HPSKRAKGRHWPMF-LLVKDONJSA-N 0 3 370.247 2.737 20 5 FFBDHN C[C@@H]1C[C@H](N(C)C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000122946422 508611668 /nfs/dbraw/zinc/61/16/68/508611668.db2.gz SAQNOUSMISBFCF-TZMCWYRMSA-N 0 3 369.849 2.958 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)cc1SC ZINC000123206729 508652159 /nfs/dbraw/zinc/65/21/59/508652159.db2.gz SLUFCUOHQUGOLZ-VXGBXAGGSA-N 0 3 367.471 2.880 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000137432769 508756467 /nfs/dbraw/zinc/75/64/67/508756467.db2.gz YEOILEHXMYXTIN-RDJZCZTQSA-N 0 3 368.437 2.786 20 5 FFBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000138259421 508771235 /nfs/dbraw/zinc/77/12/35/508771235.db2.gz YXIPDVNOKWTSOC-LSDHHAIUSA-N 0 3 371.441 2.631 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CCC(=O)OC(C)(C)C ZINC000150880301 508914127 /nfs/dbraw/zinc/91/41/27/508914127.db2.gz GXYAVSSPTVCZQR-UHFFFAOYSA-N 0 3 365.430 2.895 20 5 FFBDHN CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000155200352 508946345 /nfs/dbraw/zinc/94/63/45/508946345.db2.gz KURRFUNJGPHZHA-ZFWWWQNUSA-N 0 3 357.414 2.616 20 5 FFBDHN CN1CCC(NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000155228385 508953577 /nfs/dbraw/zinc/95/35/77/508953577.db2.gz KTWYDFVKBRNVGR-UHFFFAOYSA-N 0 3 357.208 2.573 20 5 FFBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000160245333 508959941 /nfs/dbraw/zinc/95/99/41/508959941.db2.gz OVEAETJKHVPBBF-KUHUBIRLSA-N 0 3 368.437 2.887 20 5 FFBDHN CC(C)(C)CNC(=O)C(C)(C)NCCCOc1ccc([N+](=O)[O-])cc1 ZINC000155372816 508987795 /nfs/dbraw/zinc/98/77/95/508987795.db2.gz VEJQYRMUIWPYPU-UHFFFAOYSA-N 0 3 351.447 2.894 20 5 FFBDHN C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C[NH+](C)C ZINC000126084740 509061688 /nfs/dbraw/zinc/06/16/88/509061688.db2.gz NBCPLLRWNPMNMZ-JTQLQIEISA-N 0 3 363.867 2.503 20 5 FFBDHN Cc1cnn([C@@H]2CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000377761354 512436250 /nfs/dbraw/zinc/43/62/50/512436250.db2.gz PFRVAZRHZOCWOS-MRXNPFEDSA-N 0 3 357.414 2.684 20 5 FFBDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000161340368 509104418 /nfs/dbraw/zinc/10/44/18/509104418.db2.gz XVFITMASNUQPND-YGRLFVJLSA-N 0 3 370.247 2.816 20 5 FFBDHN CN(C)CCN(Cc1ccco1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000121183644 509146648 /nfs/dbraw/zinc/14/66/48/509146648.db2.gz XTKGZEUMGPVDBM-UHFFFAOYSA-N 0 3 372.425 2.966 20 5 FFBDHN C[C@H]1CCCN(CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000162089386 509172075 /nfs/dbraw/zinc/17/20/75/509172075.db2.gz JWQKALRMUKWUPG-NSHDSACASA-N 0 3 370.247 2.819 20 5 FFBDHN CC(C)OCCN1CCC(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000266983088 509290089 /nfs/dbraw/zinc/29/00/89/509290089.db2.gz GKSYHTYITMDFMA-UHFFFAOYSA-N 0 3 374.441 2.695 20 5 FFBDHN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCN2CCC[C@H]2C1 ZINC000182644235 509348837 /nfs/dbraw/zinc/34/88/37/509348837.db2.gz XWOGNNRRSNPCCP-LBPRGKRZSA-N 0 3 355.847 2.647 20 5 FFBDHN O=[N+]([O-])c1cccc(Cl)c1CN1CCC(CN2CCOCC2)CC1 ZINC000163324409 509362960 /nfs/dbraw/zinc/36/29/60/509362960.db2.gz DGROMMRGRAROEI-UHFFFAOYSA-N 0 3 353.850 2.792 20 5 FFBDHN O=[N+]([O-])c1cnn(CCNCc2ccc(Br)c(Cl)c2)c1 ZINC000192200809 509399593 /nfs/dbraw/zinc/39/95/93/509399593.db2.gz LQJZCZDPVSREOV-UHFFFAOYSA-N 0 3 359.611 2.997 20 5 FFBDHN Cc1c(Br)cc(C(=O)N(C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000164149388 509470043 /nfs/dbraw/zinc/47/00/43/509470043.db2.gz KTEQGWDCVUPVBY-UHFFFAOYSA-N 0 3 370.247 2.832 20 5 FFBDHN CC(=O)NC1CCC(NCc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000264546084 509591518 /nfs/dbraw/zinc/59/15/18/509591518.db2.gz VDSZKKUYCZBOAK-UHFFFAOYSA-N 0 3 357.357 2.733 20 5 FFBDHN CCN1CCC(n2nccc2NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173450348 509608157 /nfs/dbraw/zinc/60/81/57/509608157.db2.gz UZIDCGWUNYEHED-UHFFFAOYSA-N 0 3 357.414 2.629 20 5 FFBDHN CCN1CCN(CCCCNC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000186337214 509655342 /nfs/dbraw/zinc/65/53/42/509655342.db2.gz FZVDIHOEQRFXJI-WUKNDPDISA-N 0 3 374.485 2.532 20 5 FFBDHN CCN1CCCC[C@@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173644441 509694726 /nfs/dbraw/zinc/69/47/26/509694726.db2.gz LJYQVSNGGFBZQA-GOSISDBHSA-N 0 3 361.442 2.839 20 5 FFBDHN O=[N+]([O-])c1cnc2ccc(NC[C@H]3CCN(Cc4ccccc4)C3)nn21 ZINC000192958021 509714260 /nfs/dbraw/zinc/71/42/60/509714260.db2.gz XZJGJGLNSAZHLZ-OAHLLOKOSA-N 0 3 352.398 2.572 20 5 FFBDHN O=[N+]([O-])c1ccc(OC2CCN(CCO[C@H]3CCCCO3)CC2)cc1 ZINC000193060335 509760206 /nfs/dbraw/zinc/76/02/06/509760206.db2.gz JLLHDIYAUHYTNK-SFHVURJKSA-N 0 3 350.415 2.981 20 5 FFBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268108155 509760942 /nfs/dbraw/zinc/76/09/42/509760942.db2.gz GDBGPBFXHSNRHW-XHDPSFHLSA-N 0 3 354.838 2.730 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000249802596 509767082 /nfs/dbraw/zinc/76/70/82/509767082.db2.gz ZNYXUAWRUPAZGT-STQMWFEESA-N 0 3 350.419 2.845 20 5 FFBDHN CC[C@@H]1CCCCN1CCNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000264950872 509793127 /nfs/dbraw/zinc/79/31/27/509793127.db2.gz JYBYWLQZZHBBBR-CYBMUJFWSA-N 0 3 365.430 2.606 20 5 FFBDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000268336896 509875222 /nfs/dbraw/zinc/87/52/22/509875222.db2.gz GEQYWZQDEIRWSE-MFKMUULPSA-N 0 3 370.247 2.816 20 5 FFBDHN Cc1cccc([C@H](C)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000173999440 509896630 /nfs/dbraw/zinc/89/66/30/509896630.db2.gz XNKRBDMIQLMXFQ-AWEZNQCLSA-N 0 3 363.439 2.532 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC(C)(C)N1CCCCC1 ZINC000193401827 509899432 /nfs/dbraw/zinc/89/94/32/509899432.db2.gz QEBLPEOVLVESIJ-UHFFFAOYSA-N 0 3 364.446 2.667 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCS[C@H]3CCCC[C@@H]32)c1 ZINC000177204900 509935956 /nfs/dbraw/zinc/93/59/56/509935956.db2.gz FCCWKYZBYJTYPT-PVAVHDDUSA-N 0 3 352.456 2.695 20 5 FFBDHN C[C@@H](CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)N1CCN(C)CC1 ZINC000180465111 509937853 /nfs/dbraw/zinc/93/78/53/509937853.db2.gz HCRZXFQSOQIXQZ-LAUBAEHRSA-N 0 3 368.481 2.910 20 5 FFBDHN Cc1nc(NCc2ccc(CN3CCC(O)CC3)cc2)ccc1[N+](=O)[O-] ZINC000268528076 509990375 /nfs/dbraw/zinc/99/03/75/509990375.db2.gz WMCYYPWZIKBKLG-UHFFFAOYSA-N 0 3 356.426 2.867 20 5 FFBDHN NC1(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CCOCC1 ZINC000261880053 510098768 /nfs/dbraw/zinc/09/87/68/510098768.db2.gz PBDSHXAEIUCJAK-UHFFFAOYSA-N 0 3 357.366 2.834 20 5 FFBDHN CC(=O)c1ccc(NC2CCN([C@H]3CCCC[C@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000268930710 510143495 /nfs/dbraw/zinc/14/34/95/510143495.db2.gz BZZHHRWJOJQUBZ-PKOBYXMFSA-N 0 3 361.442 2.977 20 5 FFBDHN Cc1ccc(CNCCCN2C(=O)COc3ccccc32)cc1[N+](=O)[O-] ZINC000174520893 510157523 /nfs/dbraw/zinc/15/75/23/510157523.db2.gz RJZYDCQVIPMWPD-UHFFFAOYSA-N 0 3 355.394 2.809 20 5 FFBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC000174660817 510236040 /nfs/dbraw/zinc/23/60/40/510236040.db2.gz KSPZJQVQFZCHRX-JOYOIKCWSA-N 0 3 359.213 2.810 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000177787984 510254214 /nfs/dbraw/zinc/25/42/14/510254214.db2.gz MRLUWPJXGYKOCY-ZBFHGGJFSA-N 0 3 360.458 2.842 20 5 FFBDHN CC(C)c1n[n-]c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000269355079 510357656 /nfs/dbraw/zinc/35/76/56/510357656.db2.gz TZBXAVJSAFLDKN-GFCCVEGCSA-N 0 3 361.402 2.601 20 5 FFBDHN Cc1ccc([C@@H](CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])N(C)C)cc1 ZINC000269390443 510378466 /nfs/dbraw/zinc/37/84/66/510378466.db2.gz LVRUUJVSBLZLDQ-CQSZACIVSA-N 0 3 359.430 2.782 20 5 FFBDHN C[C@@H](NCC(=O)NC[C@H](c1ccccc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000184622184 510422124 /nfs/dbraw/zinc/42/21/24/510422124.db2.gz OEHKPWIMDFYBGN-DNVCBOLYSA-N 0 3 370.453 2.665 20 5 FFBDHN CC(C)c1n[nH]c(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000269606571 510481040 /nfs/dbraw/zinc/48/10/40/510481040.db2.gz QHLOSAZHFDPERQ-OAHLLOKOSA-N 0 3 371.441 2.788 20 5 FFBDHN CC(C)c1[nH]nc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000269606571 510481044 /nfs/dbraw/zinc/48/10/44/510481044.db2.gz QHLOSAZHFDPERQ-OAHLLOKOSA-N 0 3 371.441 2.788 20 5 FFBDHN Cc1cc(S(=O)(=O)N2CCCC[C@@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000172021016 510502676 /nfs/dbraw/zinc/50/26/76/510502676.db2.gz YWYMILCNJLRFLN-OAHLLOKOSA-N 0 3 367.471 2.542 20 5 FFBDHN CCOc1cc(C(=O)N(C)CC2(N(C)C)CCC2)c([N+](=O)[O-])cc1OC ZINC000188013621 510549093 /nfs/dbraw/zinc/54/90/93/510549093.db2.gz CGTIFVVSPNXAPI-UHFFFAOYSA-N 0 3 365.430 2.558 20 5 FFBDHN C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266549320 510652020 /nfs/dbraw/zinc/65/20/20/510652020.db2.gz SVIGGZLYSGGMNA-IAQYHMDHSA-N 0 3 372.347 2.864 20 5 FFBDHN NC[C@@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000178603867 510682514 /nfs/dbraw/zinc/68/25/14/510682514.db2.gz LCBKEYBSLGKUOR-LJQANCHMSA-N 0 3 369.421 2.707 20 5 FFBDHN CN(Cc1ccc([N+](=O)[O-])cc1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000188280870 510687820 /nfs/dbraw/zinc/68/78/20/510687820.db2.gz DEUCYHUQCXSIIG-FQEVSTJZSA-N 0 3 355.438 2.664 20 5 FFBDHN COC(=O)[C@](C)(CNCc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000191577588 510732865 /nfs/dbraw/zinc/73/28/65/510732865.db2.gz UTTPLOHGGJXQBL-LJQANCHMSA-N 0 3 358.394 2.824 20 5 FFBDHN Cc1cc(S(=O)(=O)NC[C@H]2CCCN(CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000178823284 510790860 /nfs/dbraw/zinc/79/08/60/510790860.db2.gz YJAJTYIQHNYAMS-OAHLLOKOSA-N 0 3 369.487 2.550 20 5 FFBDHN CC(C)(C)OC(=O)[C@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000178832912 510794952 /nfs/dbraw/zinc/79/49/52/510794952.db2.gz BSMDQMCSAXJCDL-ZDUSSCGKSA-N 0 3 363.414 2.587 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000185422066 510841448 /nfs/dbraw/zinc/84/14/48/510841448.db2.gz ZDBBRSPCMYJARD-GUYCJALGSA-N 0 3 354.410 2.626 20 5 FFBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000247216391 510852533 /nfs/dbraw/zinc/85/25/33/510852533.db2.gz CKUCIAZYQPYRRM-DOTOQJQBSA-N 0 3 374.485 2.610 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@@]3(C2)CCCN(C)C3)c1 ZINC000293865536 510879580 /nfs/dbraw/zinc/87/95/80/510879580.db2.gz DYYDZZXHUKZKGO-IBGZPJMESA-N 0 3 361.442 2.616 20 5 FFBDHN Cc1csc2nc(CN(C)CCc3cccc([N+](=O)[O-])c3)cc(=O)n12 ZINC000282474506 510992468 /nfs/dbraw/zinc/99/24/68/510992468.db2.gz OERKBZJPQWJEMK-UHFFFAOYSA-N 0 3 358.423 2.647 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270857509 511007047 /nfs/dbraw/zinc/00/70/47/511007047.db2.gz YVMYPUZVFGGTOT-FZKQIMNGSA-N 0 3 358.442 2.752 20 5 FFBDHN CN1CCC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C2)C1 ZINC000294301747 511019263 /nfs/dbraw/zinc/01/92/63/511019263.db2.gz VXPWFEPSJIVHDK-KRWDZBQOSA-N 0 3 369.368 2.754 20 5 FFBDHN Cc1cc(Cl)c(C(=O)Nc2ccnn2CCN(C)C)cc1[N+](=O)[O-] ZINC000297669221 511028174 /nfs/dbraw/zinc/02/81/74/511028174.db2.gz FTWKDRFFUGSOGA-UHFFFAOYSA-N 0 3 351.794 2.567 20 5 FFBDHN C[C@H]1CN(C2CCOCC2)CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000364810006 511093604 /nfs/dbraw/zinc/09/36/04/511093604.db2.gz OBKGORQKFVBTOA-AWEZNQCLSA-N 0 3 356.426 2.833 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000282887915 511149719 /nfs/dbraw/zinc/14/97/19/511149719.db2.gz SMSHSCMTGMQRHH-KSSFIOAISA-N 0 3 364.442 2.651 20 5 FFBDHN COc1ccc(NC(=O)CCN(C)[C@H](CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000298067059 511165232 /nfs/dbraw/zinc/16/52/32/511165232.db2.gz JFXPPOAQIITTSX-GOSISDBHSA-N 0 3 373.409 2.597 20 5 FFBDHN Cn1cc([C@H]2CN(Cc3ccccc3[N+](=O)[O-])CC23CCOCC3)cn1 ZINC000295042126 511261752 /nfs/dbraw/zinc/26/17/52/511261752.db2.gz OWFNWOFUIYVHBJ-QGZVFWFLSA-N 0 3 356.426 2.725 20 5 FFBDHN COC(=O)C1CCN(CCCNc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000298660007 511366165 /nfs/dbraw/zinc/36/61/65/511366165.db2.gz GKZRJQREZQWFCM-UHFFFAOYSA-N 0 3 372.425 2.830 20 5 FFBDHN C[C@@H]1CN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CCN(C2CCC2)C1 ZINC000295454955 511411525 /nfs/dbraw/zinc/41/15/25/511411525.db2.gz PKEFJTNHJSTISB-HNNXBMFYSA-N 0 3 373.453 2.891 20 5 FFBDHN CCOc1ccc([C@H](C)NC[C@H]2COC3(CCOCC3)O2)cc1[N+](=O)[O-] ZINC000272076482 511423391 /nfs/dbraw/zinc/42/33/91/511423391.db2.gz VSWLLZMVPMTJSR-ZFWWWQNUSA-N 0 3 366.414 2.566 20 5 FFBDHN COc1cc(CN[C@H]2CC[C@H](CO)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000295675386 511479254 /nfs/dbraw/zinc/47/92/54/511479254.db2.gz KLZCTDKPVHYQJF-AULYBMBSSA-N 0 3 374.384 2.888 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000292463842 511606588 /nfs/dbraw/zinc/60/65/88/511606588.db2.gz AEJQPSPANMIXOO-ZDUSSCGKSA-N 0 3 362.430 2.942 20 5 FFBDHN O=C(CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1)Nc1ccccc1F ZINC000365823386 511669800 /nfs/dbraw/zinc/66/98/00/511669800.db2.gz VHTUMWJNPDZEFC-UHFFFAOYSA-N 0 3 361.377 2.596 20 5 FFBDHN O=C(CN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000296286342 511685160 /nfs/dbraw/zinc/68/51/60/511685160.db2.gz OZLQZZWCGURAOM-IUIKQTSFSA-N 0 3 365.817 2.734 20 5 FFBDHN CN1CC[C@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000284360808 511696770 /nfs/dbraw/zinc/69/67/70/511696770.db2.gz SVBKZABFYABFFC-LPHOPBHVSA-N 0 3 354.410 2.568 20 5 FFBDHN CN(CCN1CCN(c2ccccc2)CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000303794637 511751371 /nfs/dbraw/zinc/75/13/71/511751371.db2.gz VOXZTLGHUFMZON-UHFFFAOYSA-N 0 3 354.454 2.849 20 5 FFBDHN O=[N+]([O-])c1ccc(NCCCN2CCC(O)CC2)c(Br)c1 ZINC000281214672 511762104 /nfs/dbraw/zinc/76/21/04/511762104.db2.gz NYQHYOAEJAAOFB-UHFFFAOYSA-N 0 3 358.236 2.616 20 5 FFBDHN COCCOc1cccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000366036185 511800203 /nfs/dbraw/zinc/80/02/03/511800203.db2.gz WHGCIZFOIDCPJR-UHFFFAOYSA-N 0 3 360.414 2.654 20 5 FFBDHN C[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000296699752 511859779 /nfs/dbraw/zinc/85/97/79/511859779.db2.gz KVMPOSYPTANAKJ-LBPRGKRZSA-N 0 3 366.849 2.603 20 5 FFBDHN Cc1cc(N2CCN([C@@H]3CCCN(C)C3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000364112864 511965555 /nfs/dbraw/zinc/96/55/55/511965555.db2.gz WTSKJQJEXWQKQF-MRXNPFEDSA-N 0 3 369.469 2.668 20 5 FFBDHN CN(C)[C@]1(CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CCSC1 ZINC000293581192 512016197 /nfs/dbraw/zinc/01/61/97/512016197.db2.gz WYCLJPMYFGHDOS-KRWDZBQOSA-N 0 3 366.487 2.566 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCS[C@@H](C)[C@@H]1C ZINC000411283473 512561576 /nfs/dbraw/zinc/56/15/76/512561576.db2.gz YWDDEOAGNFFLQC-RYUDHWBXSA-N 0 3 353.444 2.758 20 5 FFBDHN COc1ccc(NC(=O)CCN2CCS[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000411283155 512561821 /nfs/dbraw/zinc/56/18/21/512561821.db2.gz YNWNCYDEWCXVSO-NEPJUHHUSA-N 0 3 353.444 2.758 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)c1F ZINC000411414769 512624628 /nfs/dbraw/zinc/62/46/28/512624628.db2.gz BZAGILSBMDUUDV-CHWSQXEVSA-N 0 3 367.421 2.522 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@@H](C)N2CCCC[C@H]2C)c1F ZINC000411414183 512624750 /nfs/dbraw/zinc/62/47/50/512624750.db2.gz HSHJKCAJGNISAY-CHWSQXEVSA-N 0 3 367.421 2.664 20 5 FFBDHN CC(C)[C@]1(CO)CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000368229067 512855360 /nfs/dbraw/zinc/85/53/60/512855360.db2.gz STMWYFJZKONZNS-LJQANCHMSA-N 0 3 358.442 2.836 20 5 FFBDHN COc1ccc(OCCN2C[C@H](O)C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000411949312 512885493 /nfs/dbraw/zinc/88/54/93/512885493.db2.gz QKBABSOVNRSZHP-NVXWUHKLSA-N 0 3 358.394 2.790 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C)N(C)Cc2ccccc2)n1 ZINC000390491310 512907648 /nfs/dbraw/zinc/90/76/48/512907648.db2.gz QNJHILDZBRSTLX-CYBMUJFWSA-N 0 3 358.398 2.709 20 5 FFBDHN CC(C)N(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H]1CCC(=O)N1 ZINC000412064312 512939828 /nfs/dbraw/zinc/93/98/28/512939828.db2.gz CBQBTSHJSWVTCY-OAHLLOKOSA-N 0 3 372.425 2.781 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000370505424 512968034 /nfs/dbraw/zinc/96/80/34/512968034.db2.gz UAUPGJMAABVNGO-OAHLLOKOSA-N 0 3 355.394 2.873 20 5 FFBDHN O=C(CCN1CC[C@](O)(c2ccc(F)cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000374866690 513045819 /nfs/dbraw/zinc/04/58/19/513045819.db2.gz XAIJSQVVKWAJSS-LJQANCHMSA-N 0 3 373.384 2.656 20 5 FFBDHN CN(C)CCOc1cc(CNc2nccc3cc([N+](=O)[O-])ccc32)ccn1 ZINC000450414847 513184452 /nfs/dbraw/zinc/18/44/52/513184452.db2.gz YSGRLSBBSMXHLV-UHFFFAOYSA-N 0 3 367.409 2.512 20 5 FFBDHN C[C@H]1C[C@H]1N1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H](C)C1 ZINC000429012730 513254628 /nfs/dbraw/zinc/25/46/28/513254628.db2.gz VBJJGKZGCYJVBE-JKIFEVAISA-N 0 3 371.441 2.807 20 5 FFBDHN CCC1(CC)[C@H](NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)[C@H]1OC ZINC000429292038 513330057 /nfs/dbraw/zinc/33/00/57/513330057.db2.gz HTSIRZOWCTYXOO-FSPWUOQZSA-N 0 3 363.458 2.987 20 5 FFBDHN CC(=O)N1CCCN(C[C@@H]2CCCN(c3cccc(C)c3[N+](=O)[O-])C2)CC1 ZINC000450773505 513334468 /nfs/dbraw/zinc/33/44/68/513334468.db2.gz MPACXDFGTCFAQZ-SFHVURJKSA-N 0 3 374.485 2.674 20 5 FFBDHN CCC1(CC)[C@@H](NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1OC ZINC000429299654 513334458 /nfs/dbraw/zinc/33/44/58/513334458.db2.gz ZUHKKCWGIYBDEZ-IRXDYDNUSA-N 0 3 361.442 2.667 20 5 FFBDHN C[C@@H]1CCCN(c2ccc(C(=O)N3CCN[C@H](C)[C@@H]3C)cc2[N+](=O)[O-])C1 ZINC000434715299 513405251 /nfs/dbraw/zinc/40/52/51/513405251.db2.gz XNNKBBVUBUFETK-KFWWJZLASA-N 0 3 360.458 2.654 20 5 FFBDHN O=[N+]([O-])c1ccc2ccnc(N3CCC(CN4CCOCC4)CC3)c2c1 ZINC000413059642 513415247 /nfs/dbraw/zinc/41/52/47/513415247.db2.gz KYJWBQNDLSPEEJ-UHFFFAOYSA-N 0 3 356.426 2.692 20 5 FFBDHN O=C(Nc1ccc2c(c1)CNCC2)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000415888602 513463356 /nfs/dbraw/zinc/46/33/56/513463356.db2.gz AFQHGNQVCBDUNF-UHFFFAOYSA-N 0 3 368.393 2.536 20 5 FFBDHN CCNC(=O)c1cccc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447529920 513499353 /nfs/dbraw/zinc/49/93/53/513499353.db2.gz NCHBWYJCHHJLFB-DLBZAZTESA-N 0 3 371.441 2.815 20 5 FFBDHN O=[N+]([O-])c1cccc(F)c1CN[C@@H](C1CCOCC1)C1(CO)CCC1 ZINC000425533248 513624156 /nfs/dbraw/zinc/62/41/56/513624156.db2.gz COHZUWYIQZVOBO-KRWDZBQOSA-N 0 3 352.406 2.781 20 5 FFBDHN COc1cc(C(=O)NC[C@@H]2N(C)CCCC2(C)C)c([N+](=O)[O-])cc1F ZINC000451294018 513659481 /nfs/dbraw/zinc/65/94/81/513659481.db2.gz ISOICFZDTIRGFS-HNNXBMFYSA-N 0 3 353.394 2.593 20 5 FFBDHN Cc1cc(OCC(=O)N2C[C@@H](N(C)C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000430531172 513677809 /nfs/dbraw/zinc/67/78/09/513677809.db2.gz UGRVQHHSLSDTHV-INIZCTEOSA-N 0 3 369.421 2.802 20 5 FFBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451349119 513692843 /nfs/dbraw/zinc/69/28/43/513692843.db2.gz WOZOJSTWEUACDM-RNJTYBCJSA-N 0 3 361.442 2.937 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@@H]3[C@H]3CCC[C@@H]3O)n2)c1 ZINC000451420465 513740493 /nfs/dbraw/zinc/74/04/93/513740493.db2.gz PAHHYBSWNYBGRH-OAGGEKHMSA-N 0 3 358.398 2.770 20 5 FFBDHN CC(C)O[C@H]1C[C@@H](NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000451492172 513786242 /nfs/dbraw/zinc/78/62/42/513786242.db2.gz FRYXTFSLLUCKLG-SJORKVTESA-N 0 3 361.442 2.666 20 5 FFBDHN CC(C)O[C@H]1C[C@@H](NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC000451503522 513795199 /nfs/dbraw/zinc/79/51/99/513795199.db2.gz QRIFDPGOFGGTJK-SJORKVTESA-N 0 3 361.442 2.666 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCN1C ZINC000426068454 513839277 /nfs/dbraw/zinc/83/92/77/513839277.db2.gz YHYBJVIRRUYHLJ-GWCFXTLKSA-N 0 3 374.363 2.896 20 5 FFBDHN CC(C)[C@H](CO)[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000451589461 513851925 /nfs/dbraw/zinc/85/19/25/513851925.db2.gz AODVHWNTLLJXMH-ZQIUZPCESA-N 0 3 351.447 2.801 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](C(C)C)[C@H](CO)C(C)C ZINC000451605384 513862531 /nfs/dbraw/zinc/86/25/31/513862531.db2.gz ZTTDCNRIFGSZBR-RHSMWYFYSA-N 0 3 351.447 2.720 20 5 FFBDHN O=C(CN[C@@H]([C@H](CO)C1CC1)C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451612793 513865986 /nfs/dbraw/zinc/86/59/86/513865986.db2.gz QGNJNCDXVRDMRP-CXAGYDPISA-N 0 3 367.833 2.573 20 5 FFBDHN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CCC[C@H](N2CCCC2)C1 ZINC000448934806 513980047 /nfs/dbraw/zinc/98/00/47/513980047.db2.gz XHFRSOJYAUUXLX-INIZCTEOSA-N 0 3 369.425 2.685 20 5 FFBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H]1NCCc2ccccc21 ZINC000423431312 514140512 /nfs/dbraw/zinc/14/05/12/514140512.db2.gz QJRMJGWVOOYDCS-AUUYWEPGSA-N 0 3 368.437 2.789 20 5 FFBDHN COc1cc(CN[C@H]2CCC[C@@H](CO)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414578603 514190411 /nfs/dbraw/zinc/19/04/11/514190411.db2.gz PPXQEUSDYVIMTL-YPMHNXCESA-N 0 3 374.384 2.888 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CCCN(CCCO)C3)o2)cc1 ZINC000449393419 514192273 /nfs/dbraw/zinc/19/22/73/514192273.db2.gz BXJXQBZPMZKIDG-INIZCTEOSA-N 0 3 359.426 2.791 20 5 FFBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000452120841 514205444 /nfs/dbraw/zinc/20/54/44/514205444.db2.gz JNTUOKHUXPMVJV-HDMKZQKVSA-N 0 3 373.453 2.746 20 5 FFBDHN O=[N+]([O-])c1cc(CN2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c2c(c1)COCO2 ZINC000449455051 514216885 /nfs/dbraw/zinc/21/68/85/514216885.db2.gz QEBYSMRJMBFYSK-KZNAEPCWSA-N 0 3 362.426 2.977 20 5 FFBDHN C[C@H]1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCN(C2CC2)C1 ZINC000452169546 514227899 /nfs/dbraw/zinc/22/78/99/514227899.db2.gz GILCMHNRLPPBJK-LLVKDONJSA-N 0 3 369.368 2.753 20 5 FFBDHN CC1(C)CCCN(CCNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000444621321 514275094 /nfs/dbraw/zinc/27/50/94/514275094.db2.gz YZCJMXQSZRZXMN-UHFFFAOYSA-N 0 3 351.472 2.925 20 5 FFBDHN CCc1ccccc1[C@H](N)CNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000423938606 514296554 /nfs/dbraw/zinc/29/65/54/514296554.db2.gz JPGFGLLTGGMWBC-OAHLLOKOSA-N 0 3 373.409 2.604 20 5 FFBDHN COC(=O)[C@H]1CN(Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1c1ccccc1 ZINC000449752409 514335807 /nfs/dbraw/zinc/33/58/07/514335807.db2.gz FLCCBPCRBFGKJY-SJORKVTESA-N 0 3 370.405 2.992 20 5 FFBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H]1NCCc2ccccc21 ZINC000414942077 514367048 /nfs/dbraw/zinc/36/70/48/514367048.db2.gz BGYNRQHGHMRWPQ-KUHUBIRLSA-N 0 3 368.437 2.789 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H](CC(F)(F)F)C2)c1 ZINC000420938481 514388202 /nfs/dbraw/zinc/38/82/02/514388202.db2.gz AWYVRSDJBZDBOM-OCCSQVGLSA-N 0 3 362.348 2.999 20 5 FFBDHN COc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(C)C)c([N+](=O)[O-])cc1F ZINC000450007727 514462865 /nfs/dbraw/zinc/46/28/65/514462865.db2.gz CNUMKUIYYZABJT-OLZOCXBDSA-N 0 3 365.405 2.830 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](c2ccc(C)cc2)N(C)C)n1 ZINC000439159500 514502355 /nfs/dbraw/zinc/50/23/55/514502355.db2.gz JIGIIJYYNYUWQH-INIZCTEOSA-N 0 3 358.398 2.800 20 5 FFBDHN C[C@H](c1ccccc1)[C@H](O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000450260843 514570030 /nfs/dbraw/zinc/57/00/30/514570030.db2.gz LFTBNINCKMNUOX-OXQOHEQNSA-N 0 3 355.438 2.881 20 5 FFBDHN CN(C)Cc1cccc(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000461405147 514598366 /nfs/dbraw/zinc/59/83/66/514598366.db2.gz XSRYOARAUQHEJC-UHFFFAOYSA-N 0 3 355.394 2.691 20 5 FFBDHN CN(C)CCN(Cc1ccsc1)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000458212884 514633532 /nfs/dbraw/zinc/63/35/32/514633532.db2.gz BZOQPZMRYLWUMN-UHFFFAOYSA-N 0 3 365.430 2.928 20 5 FFBDHN CC(C)c1n[nH]c(C(=O)N(CCN(C)C)Cc2ccsc2)c1[N+](=O)[O-] ZINC000458235943 514652442 /nfs/dbraw/zinc/65/24/42/514652442.db2.gz ZYSNRYKJINDJSQ-UHFFFAOYSA-N 0 3 365.459 2.707 20 5 FFBDHN CC(C)c1[nH]nc(C(=O)N(CCN(C)C)Cc2ccsc2)c1[N+](=O)[O-] ZINC000458235943 514652450 /nfs/dbraw/zinc/65/24/50/514652450.db2.gz ZYSNRYKJINDJSQ-UHFFFAOYSA-N 0 3 365.459 2.707 20 5 FFBDHN COc1ccc(OCCN2CCC[C@]3(CCCOC3)C2)c([N+](=O)[O-])c1 ZINC000475746818 514791244 /nfs/dbraw/zinc/79/12/44/514791244.db2.gz HIUNZXXWIGUCET-SFHVURJKSA-N 0 3 350.415 2.875 20 5 FFBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000489416115 514836680 /nfs/dbraw/zinc/83/66/80/514836680.db2.gz YYMHWPAUFUCVHA-MPGHIAIKSA-N 0 3 360.458 2.509 20 5 FFBDHN C[C@H](NCCCN1C(=O)NC2(CCCC2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000480149092 514856490 /nfs/dbraw/zinc/85/64/90/514856490.db2.gz VGMLNQFKOZIKQI-ZDUSSCGKSA-N 0 3 360.414 2.500 20 5 FFBDHN CC(C)CN1CCCC[C@@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000489717055 514949575 /nfs/dbraw/zinc/94/95/75/514949575.db2.gz PTGWMEJLEIHEGJ-CQSZACIVSA-N 0 3 363.414 2.564 20 5 FFBDHN COCC[C@@H](N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)(C)C ZINC000508989147 514978483 /nfs/dbraw/zinc/97/84/83/514978483.db2.gz ZLTQKUZXMARFHX-MLGOLLRUSA-N 0 3 367.446 2.971 20 5 FFBDHN O=[N+]([O-])c1ccc(NCCCN2CCN(c3ccncc3)CC2)c(F)c1 ZINC000498690783 515027133 /nfs/dbraw/zinc/02/71/33/515027133.db2.gz YUQJTZGINBYTRI-UHFFFAOYSA-N 0 3 359.405 2.753 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000467710924 515087708 /nfs/dbraw/zinc/08/77/08/515087708.db2.gz OUFNTROXSZXOKS-LKFCYVNXSA-N 0 3 368.231 2.570 20 5 FFBDHN COCCO[C@@H]1COCC[C@@H]1NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000485686421 515141775 /nfs/dbraw/zinc/14/17/75/515141775.db2.gz JOUQXHPEAGIDCU-FUHWJXTLSA-N 0 3 352.431 2.628 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCCN2CCCC[C@@H]2C)c1C ZINC000480936772 515142356 /nfs/dbraw/zinc/14/23/56/515142356.db2.gz PBLYPVCNVNZIEX-AWEZNQCLSA-N 0 3 369.487 2.754 20 5 FFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000480985832 515162358 /nfs/dbraw/zinc/16/23/58/515162358.db2.gz WEWGXMOYPHHDIX-DZGCQCFKSA-N 0 3 369.487 2.705 20 5 FFBDHN CCN1CCCC[C@H]1CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000472340589 515233441 /nfs/dbraw/zinc/23/34/41/515233441.db2.gz NMGIIXQONJYFML-KRWDZBQOSA-N 0 3 362.474 2.713 20 5 FFBDHN C[C@@H]1CCCN(CCNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000472371488 515248074 /nfs/dbraw/zinc/24/80/74/515248074.db2.gz ZQMSLZGREYVVQE-MRXNPFEDSA-N 0 3 362.474 2.571 20 5 FFBDHN CCN1CCC[C@@H](CN(C)c2ccc([N+](=O)[O-])nc2)[C@@H]1c1cnn(C)c1 ZINC000509631613 515265863 /nfs/dbraw/zinc/26/58/63/515265863.db2.gz GFRCWNZQZZZGEB-KBXCAEBGSA-N 0 3 358.446 2.633 20 5 FFBDHN CC(C)[C@@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)N1CCN(C)CC1 ZINC000462920558 515300477 /nfs/dbraw/zinc/30/04/77/515300477.db2.gz ZVJRWRJUKSYDOA-OAHLLOKOSA-N 0 3 372.416 2.880 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(C(F)F)CC1 ZINC000486127765 515345170 /nfs/dbraw/zinc/34/51/70/515345170.db2.gz ZAMOAFSNUJMCML-UHFFFAOYSA-N 0 3 357.357 2.909 20 5 FFBDHN Cc1c([C@@H](C)NC[C@@H](O)COc2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000481554758 515376747 /nfs/dbraw/zinc/37/67/47/515376747.db2.gz CBGZCFJZGCYGTN-ZIAGYGMSSA-N 0 3 374.393 2.722 20 5 FFBDHN COC(=O)c1cc(NC(=O)c2ccccc2CN(C)C)cc([N+](=O)[O-])c1 ZINC000486381805 515459840 /nfs/dbraw/zinc/45/98/40/515459840.db2.gz RMPAXJWNXLQRBP-UHFFFAOYSA-N 0 3 357.366 2.695 20 5 FFBDHN COc1ccccc1[C@@H]1CC[C@@H](C)CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000510258614 515486366 /nfs/dbraw/zinc/48/63/66/515486366.db2.gz ZXOFNIBEKBOKLL-KYJSFNMBSA-N 0 3 374.441 2.634 20 5 FFBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000459542066 515634302 /nfs/dbraw/zinc/63/43/02/515634302.db2.gz LDGLOCRVDXBXJZ-IBGZPJMESA-N 0 3 371.437 2.640 20 5 FFBDHN CN(C)CCOc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccn1 ZINC000478129678 515711093 /nfs/dbraw/zinc/71/10/93/515711093.db2.gz BERHMYHDURDERP-UHFFFAOYSA-N 0 3 364.789 2.836 20 5 FFBDHN CO[C@H]1C[C@@H](NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000459777477 515799058 /nfs/dbraw/zinc/79/90/58/515799058.db2.gz VZUBWBMPGKMGSM-KGLIPLIRSA-N 0 3 353.806 2.734 20 5 FFBDHN CO[C@@H]1C[C@@H](NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000459777481 515800365 /nfs/dbraw/zinc/80/03/65/515800365.db2.gz VZUBWBMPGKMGSM-ZIAGYGMSSA-N 0 3 353.806 2.734 20 5 FFBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000511531533 515936100 /nfs/dbraw/zinc/93/61/00/515936100.db2.gz ZCBCDKMMHDRFFJ-HZPDHXFCSA-N 0 3 362.474 2.899 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCN1C ZINC000501087493 515974004 /nfs/dbraw/zinc/97/40/04/515974004.db2.gz UQWQGTDFMDRWST-GXSJLCMTSA-N 0 3 371.235 2.962 20 5 FFBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000501228236 516024065 /nfs/dbraw/zinc/02/40/65/516024065.db2.gz MRCQQNKSHFJBPX-NVXWUHKLSA-N 0 3 369.421 2.925 20 5 FFBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000488028079 516085755 /nfs/dbraw/zinc/08/57/55/516085755.db2.gz SGOHGLFXGBDLPN-HDMKZQKVSA-N 0 3 360.458 2.509 20 5 FFBDHN C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000512118134 516160016 /nfs/dbraw/zinc/16/00/16/516160016.db2.gz GNSNPHMBQWVICG-NEPJUHHUSA-N 0 3 367.833 2.782 20 5 FFBDHN CC[C@@H](N[C@@H]1CCC(=O)N[C@H]1c1cnn(CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000488494191 516239249 /nfs/dbraw/zinc/23/92/49/516239249.db2.gz VXGKIHYEXQSELX-LMMKCTJWSA-N 0 3 371.441 2.872 20 5 FFBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000507618704 516264162 /nfs/dbraw/zinc/26/41/62/516264162.db2.gz SXERDXXWNYOCIL-DOTOQJQBSA-N 0 3 369.421 2.925 20 5 FFBDHN C[C@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000465875061 516278147 /nfs/dbraw/zinc/27/81/47/516278147.db2.gz LNACPVNSTJXJRF-MRXNPFEDSA-N 0 3 370.453 2.957 20 5 FFBDHN C[C@@H]1C[C@H]1N1CCN(c2ncc(Br)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488727236 516295245 /nfs/dbraw/zinc/29/52/45/516295245.db2.gz WJRGMUKMWKPYDJ-DMDPSCGWSA-N 0 3 369.263 2.919 20 5 FFBDHN C[C@H](CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](C)CO)c1ccccc1 ZINC000554280147 516358674 /nfs/dbraw/zinc/35/86/74/516358674.db2.gz XJDGGCVGZMLKNI-CABCVRRESA-N 0 3 371.437 2.680 20 5 FFBDHN O=C(N1CCCC1)N1CCC[C@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000517586820 516377085 /nfs/dbraw/zinc/37/70/85/516377085.db2.gz VVPPQXIBJLIFDH-YOEHRIQHSA-N 0 3 358.442 2.852 20 5 FFBDHN COc1ccc(NC(=O)NC[C@H](Cc2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000543891899 516484194 /nfs/dbraw/zinc/48/41/94/516484194.db2.gz KSISVIIFBIFUNB-INIZCTEOSA-N 0 3 372.425 2.898 20 5 FFBDHN CCCCN1CCCC[C@H]1CNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000523622363 516521849 /nfs/dbraw/zinc/52/18/49/516521849.db2.gz BLMJQBRIXWEUNS-HNNXBMFYSA-N 0 3 369.487 2.836 20 5 FFBDHN CCc1n[nH]c(C(=O)N(CCN2CCCCCC2)C(C)C)c1[N+](=O)[O-] ZINC000557983769 516535328 /nfs/dbraw/zinc/53/53/28/516535328.db2.gz FZKURPFALUJYFF-UHFFFAOYSA-N 0 3 351.451 2.607 20 5 FFBDHN CCc1[nH]nc(C(=O)N(CCN2CCCCCC2)C(C)C)c1[N+](=O)[O-] ZINC000557983769 516535338 /nfs/dbraw/zinc/53/53/38/516535338.db2.gz FZKURPFALUJYFF-UHFFFAOYSA-N 0 3 351.451 2.607 20 5 FFBDHN C[C@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCN(C2CCC2)C1 ZINC000561534331 516638543 /nfs/dbraw/zinc/63/85/43/516638543.db2.gz KLYMOTJFNDUFSS-GFCCVEGCSA-N 0 3 367.396 2.748 20 5 FFBDHN COc1cc(C[C@H](CO)CNCc2csc([N+](=O)[O-])c2)cc(OC)c1 ZINC000540612779 516642178 /nfs/dbraw/zinc/64/21/78/516642178.db2.gz QXURPSSBMWDURY-ZDUSSCGKSA-N 0 3 366.439 2.614 20 5 FFBDHN COc1ccc([C@@H](CN(C)C)NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000551541418 516751985 /nfs/dbraw/zinc/75/19/85/516751985.db2.gz QGLSWPJZHWLQSV-GOSISDBHSA-N 0 3 357.410 2.565 20 5 FFBDHN COCC[C@@H](C)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000558490873 516774447 /nfs/dbraw/zinc/77/44/47/516774447.db2.gz KRCKNACVWQRROQ-SECBINFHSA-N 0 3 364.183 2.714 20 5 FFBDHN Cn1ccnc1[C@H](NC1CCN(C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000514105539 516866166 /nfs/dbraw/zinc/86/61/66/516866166.db2.gz RTPYMAOMWLOOLQ-GOSISDBHSA-N 0 3 355.442 2.634 20 5 FFBDHN COc1ccc(NC(=O)N[C@H](C)CN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000541100983 516875134 /nfs/dbraw/zinc/87/51/34/516875134.db2.gz LXFVLMXPECMTQV-CHWSQXEVSA-N 0 3 350.419 2.845 20 5 FFBDHN COc1ccc(NC(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000541100985 516875177 /nfs/dbraw/zinc/87/51/77/516875177.db2.gz LXFVLMXPECMTQV-OLZOCXBDSA-N 0 3 350.419 2.845 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000525024172 516899397 /nfs/dbraw/zinc/89/93/97/516899397.db2.gz PEYWHOFOWPWRPG-MBNYWOFBSA-N 0 3 369.849 2.814 20 5 FFBDHN CCN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000544848588 516959325 /nfs/dbraw/zinc/95/93/25/516959325.db2.gz FQSGKRAFWBTGOH-INIZCTEOSA-N 0 3 356.426 2.670 20 5 FFBDHN COc1cc(C(=O)N2CCCN(C(C)(C)C)CC2)cc([N+](=O)[O-])c1OC ZINC000525579711 517081710 /nfs/dbraw/zinc/08/17/10/517081710.db2.gz ISYSBLCLYLGSSS-UHFFFAOYSA-N 0 3 365.430 2.558 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000541524964 517093437 /nfs/dbraw/zinc/09/34/37/517093437.db2.gz BGIAWSCSGMZUQI-UHFFFAOYSA-N 0 3 364.446 2.619 20 5 FFBDHN Cc1cc(N2CCC[C@H](N[C@H]3CCc4c3cccc4[N+](=O)[O-])C2)n(C)n1 ZINC000519643231 517101637 /nfs/dbraw/zinc/10/16/37/517101637.db2.gz GPVCIJDWTCAORW-YOEHRIQHSA-N 0 3 355.442 2.883 20 5 FFBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCN(CC2CCC2)CC1 ZINC000559248315 517131254 /nfs/dbraw/zinc/13/12/54/517131254.db2.gz ACJZPUCKXQCBMI-UHFFFAOYSA-N 0 3 370.453 2.953 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC000541760463 517201488 /nfs/dbraw/zinc/20/14/88/517201488.db2.gz NLCOBDHQZCYOEM-MAUKXSAKSA-N 0 3 360.435 2.762 20 5 FFBDHN CN(C)C[C@H](O)COc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000519895410 517237393 /nfs/dbraw/zinc/23/73/93/517237393.db2.gz CFVDZYQNGQRXIS-INIZCTEOSA-N 0 3 374.397 2.540 20 5 FFBDHN CC(C)N1CCN([C@@H]2CCN(c3c4ccccc4ncc3[N+](=O)[O-])C2)CC1 ZINC000515272378 517277771 /nfs/dbraw/zinc/27/77/71/517277771.db2.gz MXRBRJDTWBVUOL-MRXNPFEDSA-N 0 3 369.469 2.748 20 5 FFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000559563177 517317762 /nfs/dbraw/zinc/31/77/62/517317762.db2.gz DGWBXIPRBJQFTQ-SECBINFHSA-N 0 3 370.247 2.878 20 5 FFBDHN COc1cc(CN[C@H]2CCC[C@@]2(C)CO)c([N+](=O)[O-])cc1OC(F)F ZINC000515392899 517333981 /nfs/dbraw/zinc/33/39/81/517333981.db2.gz DOXYKIWCIIKPFF-HOCLYGCPSA-N 0 3 360.357 2.846 20 5 FFBDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2cccc([N+](=O)[O-])c2OC)cc1 ZINC000552818143 517403583 /nfs/dbraw/zinc/40/35/83/517403583.db2.gz BZOLMPCYYNZRGO-MRXNPFEDSA-N 0 3 373.409 2.645 20 5 FFBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+][C@H]1CCCC12CCCC2 ZINC000559789120 517427822 /nfs/dbraw/zinc/42/78/22/517427822.db2.gz XWAXOEGFBBFMAY-INIZCTEOSA-N 0 3 367.471 2.576 20 5 FFBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)COCc1ccccc1F ZINC000549173476 517437957 /nfs/dbraw/zinc/43/79/57/517437957.db2.gz XGYYYDFMVVDQJU-GOSISDBHSA-N 0 3 362.401 2.786 20 5 FFBDHN CCOC(=O)[C@@]1(C(C)C)CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000559988719 517519212 /nfs/dbraw/zinc/51/92/12/517519212.db2.gz FQUKQWFYYDZDDJ-SFHVURJKSA-N 0 3 350.415 2.885 20 5 FFBDHN COc1cc(C(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000563235265 517760940 /nfs/dbraw/zinc/76/09/40/517760940.db2.gz OXANEJJSTZHFMK-HXUWFJFHSA-N 0 3 369.421 2.998 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H](C1CCCCC1)N(C)C ZINC000530491165 517807573 /nfs/dbraw/zinc/80/75/73/517807573.db2.gz SEZBEXGLPVYEOW-MRXNPFEDSA-N 0 3 369.487 2.692 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cn2C)CCN1Cc1ccccc1 ZINC000530709898 517933079 /nfs/dbraw/zinc/93/30/79/517933079.db2.gz KJSDWHRIPIZBGT-ZBFHGGJFSA-N 0 3 356.426 2.716 20 5 FFBDHN CC[NH+](CC)C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000530712745 517935385 /nfs/dbraw/zinc/93/53/85/517935385.db2.gz LZURAQBBVDCBSL-LSDHHAIUSA-N 0 3 369.487 2.774 20 5 FFBDHN CCc1ccccc1[C@H](N)CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000563569870 517990661 /nfs/dbraw/zinc/99/06/61/517990661.db2.gz AZSNQWYBCGWWGK-GOSISDBHSA-N 0 3 372.425 2.535 20 5 FFBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN([C@H]3CCN(Cc4ccccc4)C3)C2)nc1 ZINC000560729799 517992352 /nfs/dbraw/zinc/99/23/52/517992352.db2.gz OTBMXCOGLQDGPD-MJGOQNOKSA-N 0 3 367.453 2.751 20 5 FFBDHN COc1ccc(-c2ccc(CNC3CCC(C(N)=O)CC3)o2)c([N+](=O)[O-])c1 ZINC000522212592 518036287 /nfs/dbraw/zinc/03/62/87/518036287.db2.gz PAMZLDCXNDDRAY-UHFFFAOYSA-N 0 3 373.409 2.997 20 5 FFBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000578551859 518262794 /nfs/dbraw/zinc/26/27/94/518262794.db2.gz ZKVTXCVYXWXPPA-LLVKDONJSA-N 0 3 355.385 2.604 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000564132032 518317713 /nfs/dbraw/zinc/31/77/13/518317713.db2.gz ZMKUHRGIMXWUFE-JXFKEZNVSA-N 0 3 368.437 2.877 20 5 FFBDHN CN(Cc1ccccc1)C1(CNC(=O)c2cc([N+](=O)[O-])cn2C)CCC1 ZINC000578957462 518452047 /nfs/dbraw/zinc/45/20/47/518452047.db2.gz VNKAROIRDQDAMZ-UHFFFAOYSA-N 0 3 356.426 2.718 20 5 FFBDHN CC1(C)CCCN1CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000581868915 518476212 /nfs/dbraw/zinc/47/62/12/518476212.db2.gz GTYFGYBWMZNCLG-UHFFFAOYSA-N 0 3 374.485 2.802 20 5 FFBDHN CCCN1CCC[C@H]1CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000570233627 518507547 /nfs/dbraw/zinc/50/75/47/518507547.db2.gz WMGGJOYAOUQXOA-ZWKOTPCHSA-N 0 3 357.458 2.882 20 5 FFBDHN C[C@@]1(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCN(Cc2ccccc2)C1 ZINC000573125000 518519492 /nfs/dbraw/zinc/51/94/92/518519492.db2.gz RVRMEBXUTFEBRQ-HXUWFJFHSA-N 0 3 353.422 2.918 20 5 FFBDHN O=[N+]([O-])c1ccccc1OCCN(Cc1ccccc1)[C@@]1(CO)CCOC1 ZINC000585718507 518573183 /nfs/dbraw/zinc/57/31/83/518573183.db2.gz JEEGKIGWMUKVNG-HXUWFJFHSA-N 0 3 372.421 2.627 20 5 FFBDHN COc1cc(C(=O)Nc2cccc3c2CCNC3)cc([N+](=O)[O-])c1OC ZINC000564836738 518642386 /nfs/dbraw/zinc/64/23/86/518642386.db2.gz FWPUWTMCTJXQSJ-UHFFFAOYSA-N 0 3 357.366 2.510 20 5 FFBDHN C[C@@H]1CN(CCCCNc2ncnc3sc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000587994479 518694240 /nfs/dbraw/zinc/69/42/40/518694240.db2.gz KTZKDQHRKYYHOY-TXEJJXNPSA-N 0 3 365.459 2.901 20 5 FFBDHN C[C@@H]1CN(CCCCNc2ncnc3sc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000587994480 518695135 /nfs/dbraw/zinc/69/51/35/518695135.db2.gz KTZKDQHRKYYHOY-VXGBXAGGSA-N 0 3 365.459 2.901 20 5 FFBDHN C[C@H](NC(=O)N1CCc2ccccc2[C@@H]1CN)c1cccc([N+](=O)[O-])c1 ZINC000564935549 518703764 /nfs/dbraw/zinc/70/37/64/518703764.db2.gz DMYGHDLRQQHIQZ-UGSOOPFHSA-N 0 3 354.410 2.924 20 5 FFBDHN CN(C)[C@@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000573598310 518744083 /nfs/dbraw/zinc/74/40/83/518744083.db2.gz YNCLTPLLVSGNBV-KRWDZBQOSA-N 0 3 363.364 2.835 20 5 FFBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000576825901 518782836 /nfs/dbraw/zinc/78/28/36/518782836.db2.gz KFGVFXSJAKVVFJ-ZDUSSCGKSA-N 0 3 356.426 2.945 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000588771282 518826573 /nfs/dbraw/zinc/82/65/73/518826573.db2.gz QVYRHTPJOAYVRA-RDTXWAMCSA-N 0 3 369.421 2.996 20 5 FFBDHN CCOc1ccc(C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000582623516 518844381 /nfs/dbraw/zinc/84/43/81/518844381.db2.gz JTOHZOALBUMQFW-CQSZACIVSA-N 0 3 361.442 2.940 20 5 FFBDHN CN(C)CCN(Cc1ccco1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589197500 518947808 /nfs/dbraw/zinc/94/78/08/518947808.db2.gz WXOMYHRNVHRNMA-UHFFFAOYSA-N 0 3 361.398 2.523 20 5 FFBDHN CSC1(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCN(C)CC1 ZINC000568336846 518984841 /nfs/dbraw/zinc/98/48/41/518984841.db2.gz HBKHNAXUMUHMGN-UHFFFAOYSA-N 0 3 357.863 2.805 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCCCC[C@H]2C[C@@H](C)O)c1 ZINC000589518593 519023456 /nfs/dbraw/zinc/02/34/56/519023456.db2.gz ZVZJQDJXLLWYLH-CJNGLKHVSA-N 0 3 350.415 2.897 20 5 FFBDHN NC(=O)c1ccnc(N[C@@H](CN2CCCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000589578274 519033848 /nfs/dbraw/zinc/03/38/48/519033848.db2.gz TVTGAERMIPMLMR-INIZCTEOSA-N 0 3 369.425 2.728 20 5 FFBDHN CN(CCCN(C)C(=O)c1ccc(F)cc1[N+](=O)[O-])Cc1ccncc1 ZINC000580238762 519074619 /nfs/dbraw/zinc/07/46/19/519074619.db2.gz VMKCYWUMBQWOIH-UHFFFAOYSA-N 0 3 360.389 2.723 20 5 FFBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000590014364 519129607 /nfs/dbraw/zinc/12/96/07/519129607.db2.gz BSRIDNIQDJWCMW-SJKOYZFVSA-N 0 3 367.833 2.570 20 5 FFBDHN CN(C)CCn1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cn1 ZINC000590201052 519172592 /nfs/dbraw/zinc/17/25/92/519172592.db2.gz JISIGJTWHPZJSH-UHFFFAOYSA-N 0 3 371.319 2.624 20 5 FFBDHN CN(C)CCn1cc(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])cn1 ZINC000590627934 519295321 /nfs/dbraw/zinc/29/53/21/519295321.db2.gz KOSXYQAZQRAYKJ-UHFFFAOYSA-N 0 3 371.319 2.624 20 5 FFBDHN COc1cccc2c1CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000590759691 519354924 /nfs/dbraw/zinc/35/49/24/519354924.db2.gz IJUVPYQGBBZHPP-UHFFFAOYSA-N 0 3 355.394 2.990 20 5 FFBDHN CC[C@@H](C)N[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000580793375 519361504 /nfs/dbraw/zinc/36/15/04/519361504.db2.gz DXCGASLDEZDDQD-IAQYHMDHSA-N 0 3 371.397 2.923 20 5 FFBDHN CC(C)(C)c1ccncc1CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000575248615 519572756 /nfs/dbraw/zinc/57/27/56/519572756.db2.gz MYSGLXXPEHWQRK-MRXNPFEDSA-N 0 3 359.426 2.817 20 5 FFBDHN C[C@@H](C(=O)NCC1(N(C)C)Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000584087883 519583133 /nfs/dbraw/zinc/58/31/33/519583133.db2.gz NRMAXLNYFKBBBZ-OAHLLOKOSA-N 0 3 367.449 2.914 20 5 FFBDHN CCN1[C@H](C)CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000602872869 519939023 /nfs/dbraw/zinc/93/90/23/519939023.db2.gz AZHJLHVAXBAVHJ-TXEJJXNPSA-N 0 3 354.838 2.601 20 5 FFBDHN CN(C)C[C@H]1COC2(CCCC2)CN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000602908507 519964335 /nfs/dbraw/zinc/96/43/35/519964335.db2.gz VICPSCNLAZGKBE-HNNXBMFYSA-N 0 3 373.457 2.546 20 5 FFBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000591686169 519999239 /nfs/dbraw/zinc/99/92/39/519999239.db2.gz NHWLJUOENXGXNJ-STQMWFEESA-N 0 3 359.357 2.817 20 5 FFBDHN Cc1cccc2c1OCC[C@H]2NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591763495 520028701 /nfs/dbraw/zinc/02/87/01/520028701.db2.gz MWJSKKJOICTHSJ-MAUKXSAKSA-N 0 3 358.394 2.756 20 5 FFBDHN O=C(NC1CC1)c1ccc(N[C@@H]2CCCN3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000594604475 520051297 /nfs/dbraw/zinc/05/12/97/520051297.db2.gz ZORZQZBNOXUCOE-WBVHZDCISA-N 0 3 358.442 2.916 20 5 FFBDHN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCCN(c2ccncc2)CC1 ZINC000603081853 520068511 /nfs/dbraw/zinc/06/85/11/520068511.db2.gz DNMSSEIMTXCLRP-UHFFFAOYSA-N 0 3 365.393 2.824 20 5 FFBDHN CC[C@H]1CN(C)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000597606088 520131946 /nfs/dbraw/zinc/13/19/46/520131946.db2.gz ULSLRAGZARHXKS-NSHDSACASA-N 0 3 370.247 2.914 20 5 FFBDHN Cc1ccc(CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC2CC2)cn1 ZINC000592145812 520224309 /nfs/dbraw/zinc/22/43/09/520224309.db2.gz CAICIYLPTXNIPJ-SFHVURJKSA-N 0 3 371.437 2.950 20 5 FFBDHN Cn1cc(C[C@@H]2CCC[C@@H]2NCc2cc([N+](=O)[O-])cc3c2OCOC3)cn1 ZINC000594980809 520241968 /nfs/dbraw/zinc/24/19/68/520241968.db2.gz SPMHYOQFFDBBOR-KSSFIOAISA-N 0 3 372.425 2.696 20 5 FFBDHN O=[N+]([O-])c1ccc(CN[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c(Cl)c1 ZINC000594988669 520244559 /nfs/dbraw/zinc/24/45/59/520244559.db2.gz ATAACDSGVIKNBM-IAGOWNOFSA-N 0 3 365.861 2.981 20 5 FFBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC2CCN([C@H]3CCOC3)CC2)c1 ZINC000594994387 520247247 /nfs/dbraw/zinc/24/72/47/520247247.db2.gz UMPXEEXPMVLGKM-HNNXBMFYSA-N 0 3 371.384 2.539 20 5 FFBDHN COc1cc(CNC[C@H](O)[C@H](C)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000595000864 520251320 /nfs/dbraw/zinc/25/13/20/520251320.db2.gz ODXMOMVTVMLSHC-DYVFJYSZSA-N 0 3 360.410 2.866 20 5 FFBDHN O=C(NC[C@H]1CCN1C1CCCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000600474038 520281736 /nfs/dbraw/zinc/28/17/36/520281736.db2.gz WLUCLYWCQKLLRI-CQSZACIVSA-N 0 3 354.410 2.890 20 5 FFBDHN CCOc1cc(C(=O)NC[C@@H]2CCCCN2CC)c([N+](=O)[O-])cc1OC ZINC000609489437 520330826 /nfs/dbraw/zinc/33/08/26/520330826.db2.gz MRFZJJSMUWFHIP-ZDUSSCGKSA-N 0 3 365.430 2.606 20 5 FFBDHN CN(C)CCOc1cccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000603810596 520362850 /nfs/dbraw/zinc/36/28/50/520362850.db2.gz SRUUGJNEDJPMKZ-UHFFFAOYSA-N 0 3 373.365 2.516 20 5 FFBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CC3CC3)C2)nc1OCc1ccccc1 ZINC000613179953 520371063 /nfs/dbraw/zinc/37/10/63/520371063.db2.gz BXMLANCJUOXPTF-KRWDZBQOSA-N 0 3 368.437 2.887 20 5 FFBDHN COc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)ccc1[N+](=O)[O-] ZINC000595259165 520375941 /nfs/dbraw/zinc/37/59/41/520375941.db2.gz YKWLKJSLTJVMIY-QGZVFWFLSA-N 0 3 357.366 2.517 20 5 FFBDHN CN1CCN(CCCNc2cccnc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000603849986 520377229 /nfs/dbraw/zinc/37/72/29/520377229.db2.gz QBMIFMBGXABQEE-GOSISDBHSA-N 0 3 355.442 2.781 20 5 FFBDHN O=C(CCNC[C@@H]1Cc2ccccc2CO1)Nc1ccccc1[N+](=O)[O-] ZINC000600748689 520445676 /nfs/dbraw/zinc/44/56/76/520445676.db2.gz UJHBQERDXGEMLM-INIZCTEOSA-N 0 3 355.394 2.655 20 5 FFBDHN CCCN1CC[C@H](NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C1 ZINC000598342482 520567261 /nfs/dbraw/zinc/56/72/61/520567261.db2.gz NTELWNLSLCPWCR-NSHDSACASA-N 0 3 353.444 2.539 20 5 FFBDHN CCCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000592833216 520608862 /nfs/dbraw/zinc/60/88/62/520608862.db2.gz WRSXGMPYCOWGCC-GXTWGEPZSA-N 0 3 369.849 2.958 20 5 FFBDHN CN(C)CCOc1ccc(CN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1 ZINC000601149158 520659174 /nfs/dbraw/zinc/65/91/74/520659174.db2.gz KAFYMHBDZRYOMJ-FQEVSTJZSA-N 0 3 373.453 2.533 20 5 FFBDHN CN(C)CCN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000593038758 520700779 /nfs/dbraw/zinc/70/07/79/520700779.db2.gz KHWOTKYYXBUONX-UHFFFAOYSA-N 0 3 351.422 2.999 20 5 FFBDHN CC(C)[C@@H]1CN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CCN1 ZINC000598575675 520720169 /nfs/dbraw/zinc/72/01/69/520720169.db2.gz VRORNGKIOZUXOP-INIZCTEOSA-N 0 3 354.410 2.727 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC([C@H]2CCCCO2)CC1 ZINC000595785772 520723434 /nfs/dbraw/zinc/72/34/34/520723434.db2.gz ZHLKHVVUHMABQS-SJLPKXTDSA-N 0 3 364.442 2.616 20 5 FFBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000595785920 520723965 /nfs/dbraw/zinc/72/39/65/520723965.db2.gz JZWPDJNLPNEJCU-INIZCTEOSA-N 0 3 362.474 2.899 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595790884 520728074 /nfs/dbraw/zinc/72/80/74/520728074.db2.gz ZJUCSCFRNMUJNU-LZLYRXPVSA-N 0 3 364.442 2.616 20 5 FFBDHN O=C(NCC1CCN(c2ccncc2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000601405136 520776294 /nfs/dbraw/zinc/77/62/94/520776294.db2.gz RVTNFEASWMVDGW-UHFFFAOYSA-N 0 3 358.373 2.775 20 5 FFBDHN CC(C)[C@H](O)[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000596065716 520890624 /nfs/dbraw/zinc/89/06/24/520890624.db2.gz KVGJZYRPBWMKDO-SXLOBPIMSA-N 0 3 374.437 2.682 20 5 FFBDHN CN(C)[C@@H]1[C@H]2CN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])C[C@H]21 ZINC000599083087 521020650 /nfs/dbraw/zinc/02/06/50/521020650.db2.gz HFOIWJHEMPJODH-MNZLEMJZSA-N 0 3 351.406 2.822 20 5 FFBDHN CC(C)(C)N1CC[C@@H]1CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000596309862 521020815 /nfs/dbraw/zinc/02/08/15/521020815.db2.gz YSDHJNLWDCRFCV-MRXNPFEDSA-N 0 3 362.474 2.712 20 5 FFBDHN O=C(Nc1ccc(CN2CCC(O)CC2)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000611197479 521033212 /nfs/dbraw/zinc/03/32/12/521033212.db2.gz HJORGXUZHSUGRV-UHFFFAOYSA-N 0 3 373.384 2.943 20 5 FFBDHN Cc1cc(S(=O)(=O)N2CCCc3cccc(CN)c32)ccc1[N+](=O)[O-] ZINC000599102698 521033261 /nfs/dbraw/zinc/03/32/61/521033261.db2.gz PHYJFUMUSRLYBJ-UHFFFAOYSA-N 0 3 361.423 2.503 20 5 FFBDHN O=C(NC1CC1)c1ccc(NC[C@@H]2CCN2C2CCCC2)c([N+](=O)[O-])c1 ZINC000599165779 521065898 /nfs/dbraw/zinc/06/58/98/521065898.db2.gz SLAOALGYGAJYJY-INIZCTEOSA-N 0 3 358.442 2.916 20 5 FFBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000618467814 521082418 /nfs/dbraw/zinc/08/24/18/521082418.db2.gz FJLLPQRCCGEPTO-CQSZACIVSA-N 0 3 367.833 2.540 20 5 FFBDHN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCN(CC2CC2)C1 ZINC000596570825 521138170 /nfs/dbraw/zinc/13/81/70/521138170.db2.gz OIZLVMCKFMWJBD-AWEZNQCLSA-N 0 3 367.471 2.532 20 5 FFBDHN CCN(C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCN(C)C1 ZINC000596585185 521146802 /nfs/dbraw/zinc/14/68/02/521146802.db2.gz DYVLRRKUAOCENE-ZDUSSCGKSA-N 0 3 374.363 2.849 20 5 FFBDHN COc1cc(N2C[C@@H](SC)[C@@H](N3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000614977758 521218696 /nfs/dbraw/zinc/21/86/96/521218696.db2.gz IQMSWEUZMQEYFI-GOEBONIOSA-N 0 3 355.435 2.759 20 5 FFBDHN Cc1ccc([C@@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)N(C)C)cc1 ZINC000611707024 521290586 /nfs/dbraw/zinc/29/05/86/521290586.db2.gz CYIIVKFURNOFBO-GOSISDBHSA-N 0 3 351.410 2.983 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000596836388 521321016 /nfs/dbraw/zinc/32/10/16/521321016.db2.gz IOTPNYSLVBZUIR-HNNXBMFYSA-N 0 3 362.430 2.586 20 5 FFBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(C)C2(CCCCC2)C1 ZINC000593997928 521338919 /nfs/dbraw/zinc/33/89/19/521338919.db2.gz DRMUXMCLSVSJCI-HNNXBMFYSA-N 0 3 360.458 2.872 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000596867962 521342135 /nfs/dbraw/zinc/34/21/35/521342135.db2.gz UPVIVAPRHVZGED-HNNXBMFYSA-N 0 3 362.430 2.586 20 5 FFBDHN CN(C)C[C@@H](Cc1ccccc1)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602517416 521391781 /nfs/dbraw/zinc/39/17/81/521391781.db2.gz BHCAUDWNTPMPFU-OAHLLOKOSA-N 0 3 354.410 2.999 20 5 FFBDHN Cc1cc(N2CCO[C@@H](C(=O)OC(C)(C)C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000611928158 521398234 /nfs/dbraw/zinc/39/82/34/521398234.db2.gz MZVUPDZNRUFCBK-QGZVFWFLSA-N 0 3 373.409 2.998 20 5 FFBDHN C[C@@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000599750396 521446575 /nfs/dbraw/zinc/44/65/75/521446575.db2.gz VNYFRNHNJRYXHW-SNVBAGLBSA-N 0 3 368.231 2.738 20 5 FFBDHN CN(C)CCN(Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccn1 ZINC000602656715 521464345 /nfs/dbraw/zinc/46/43/45/521464345.db2.gz LLDUSLGHTQYPOC-UHFFFAOYSA-N 0 3 355.398 2.695 20 5 FFBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000594198714 521464397 /nfs/dbraw/zinc/46/43/97/521464397.db2.gz VFPGQRSUYZPBKF-HOCLYGCPSA-N 0 3 369.425 2.527 20 5 FFBDHN CO[C@@H]1COCC[C@@H]1CNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602674975 521475421 /nfs/dbraw/zinc/47/54/21/521475421.db2.gz IUQFYVCQJKVCIA-LDYMZIIASA-N 0 3 365.249 2.560 20 5 FFBDHN CC(C)N1CCCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC000597091709 521497275 /nfs/dbraw/zinc/49/72/75/521497275.db2.gz CKYFVTVSHYEYGQ-UHFFFAOYSA-N 0 3 355.826 2.778 20 5 FFBDHN CCN(C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)[C@@H]1CCN(CC)C1 ZINC000597092072 521498504 /nfs/dbraw/zinc/49/85/04/521498504.db2.gz JMLBJKNAVDKJDU-LLVKDONJSA-N 0 3 355.826 2.778 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H]1c2ccccc2CC12CCOCC2 ZINC000602836734 521562837 /nfs/dbraw/zinc/56/28/37/521562837.db2.gz HGTPUKSYRQXILC-SFHVURJKSA-N 0 3 356.426 2.784 20 5 FFBDHN CC(C)[C@@H](CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccnn1C ZINC000615943124 521584090 /nfs/dbraw/zinc/58/40/90/521584090.db2.gz BRBXHFQLSPBXEB-CQSZACIVSA-N 0 3 360.414 2.629 20 5 FFBDHN COc1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1-c1nnn[n-]1 ZINC000821798583 606205647 /nfs/dbraw/zinc/20/56/47/606205647.db2.gz GILZARZTNKKPFG-UHFFFAOYSA-N 0 3 368.397 2.808 20 5 FFBDHN C[NH+](C)[C@@H](CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000821581362 606644858 /nfs/dbraw/zinc/64/48/58/606644858.db2.gz JJALKPHSAORXTA-INIZCTEOSA-N 0 3 371.376 2.629 20 5 FFBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820254622 607000118 /nfs/dbraw/zinc/00/01/18/607000118.db2.gz SEJCZEAXRYLUGR-CYBMUJFWSA-N 0 3 352.398 2.886 20 5 FFBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820254622 607000120 /nfs/dbraw/zinc/00/01/20/607000120.db2.gz SEJCZEAXRYLUGR-CYBMUJFWSA-N 0 3 352.398 2.886 20 5 FFBDHN CCC[C@H]1CN(c2ccc([N+](=O)[O-])cc2COC)CCN1CCOC ZINC000162458337 728945333 /nfs/dbraw/zinc/94/53/33/728945333.db2.gz MOBZJVNHXVWTOD-KRWDZBQOSA-N 0 3 351.447 2.678 20 5 FFBDHN CC1(N2CCOCC2)CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000859777199 730465783 /nfs/dbraw/zinc/46/57/83/730465783.db2.gz XEMLYUKBNDLXBV-UHFFFAOYSA-N 0 3 353.850 2.935 20 5 FFBDHN C[C@H](NC[C@@]1(N2CCOCC2)CCSC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872028108 731722115 /nfs/dbraw/zinc/72/21/15/731722115.db2.gz PFQINWDTSPBYNN-GUYCJALGSA-N 0 3 369.462 2.592 20 5 FFBDHN C[C@@H](OC(=O)C1CC[C@H](C(F)(F)F)NC1=O)c1ccccc1[N+](=O)[O-] ZINC000873578714 731937532 /nfs/dbraw/zinc/93/75/32/731937532.db2.gz KWHFVYPOTOZOSQ-UBHAPETDSA-N 0 3 360.288 2.656 20 5 FFBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCSC[C@@H]1c1ccccc1 ZINC000880387985 732900429 /nfs/dbraw/zinc/90/04/29/732900429.db2.gz ODQKWUMNBKJTBG-QGZVFWFLSA-N 0 3 359.451 2.937 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H]1CCC2(CCOCC2)O1 ZINC000927022251 738682330 /nfs/dbraw/zinc/68/23/30/738682330.db2.gz YTMKGOPIYMCCHX-HIFRSBDPSA-N 0 3 350.415 2.982 20 5 FFBDHN C[C@]1(Br)C[C@H]1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000892078502 734512483 /nfs/dbraw/zinc/51/24/83/734512483.db2.gz NNZPRCFSJWHBIQ-WDMOLILDSA-N 0 3 355.236 2.650 20 5 FFBDHN O=[N+]([O-])c1ccc(Cl)c(CN2CCCN(C[C@H]3CCCO3)CC2)c1 ZINC000735562390 734950859 /nfs/dbraw/zinc/95/08/59/734950859.db2.gz KAXXXJXZPNQELV-MRXNPFEDSA-N 0 3 353.850 2.935 20 5 FFBDHN COc1cc([C@@H](C)NC[C@H]2CC3(CO2)CCOCC3)cc([N+](=O)[O-])c1 ZINC000903212136 736055742 /nfs/dbraw/zinc/05/57/42/736055742.db2.gz KILYREXCCFVDPC-CXAGYDPISA-N 0 3 350.415 2.840 20 5 FFBDHN COc1cc([C@H](C)NC[C@@H]2CCC3(CCOCC3)O2)cc([N+](=O)[O-])c1 ZINC000903226707 736060179 /nfs/dbraw/zinc/06/01/79/736060179.db2.gz MGOQTDBXWRNICK-BBRMVZONSA-N 0 3 350.415 2.982 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000754250673 736140653 /nfs/dbraw/zinc/14/06/53/736140653.db2.gz LWLIZRJTHZRZJP-HNNXBMFYSA-N 0 3 364.785 2.843 20 5 FFBDHN CN1CCC[C@@H]1CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000755026991 736227669 /nfs/dbraw/zinc/22/76/69/736227669.db2.gz ZKYNVJVPQMNLMD-SNVBAGLBSA-N 0 3 357.208 2.573 20 5 FFBDHN CN1CCC[C@H]1CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000755026986 736227841 /nfs/dbraw/zinc/22/78/41/736227841.db2.gz ZKYNVJVPQMNLMD-JTQLQIEISA-N 0 3 357.208 2.573 20 5 FFBDHN C[C@@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)N1CCC(C)CC1 ZINC000778250252 738366892 /nfs/dbraw/zinc/36/68/92/738366892.db2.gz XTLSAYHIOKFIGF-ZDUSSCGKSA-N 0 3 355.385 2.923 20 5 FFBDHN O=C(N1CCC[C@@H]1CN1CCCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778254188 738366959 /nfs/dbraw/zinc/36/69/59/738366959.db2.gz TZHYDHXHWCCQQO-OAHLLOKOSA-N 0 3 353.369 2.773 20 5 FFBDHN CC(C)N1CCCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CC1 ZINC000931793488 739330652 /nfs/dbraw/zinc/33/06/52/739330652.db2.gz CSJMUOYCJQACFM-UHFFFAOYSA-N 0 3 358.801 2.526 20 5 FFBDHN Nc1c(C(=O)N2CC[C@@H](N3CCCCC3)C2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC000932272012 739419859 /nfs/dbraw/zinc/41/98/59/739419859.db2.gz AEBHDNCSBGXBSW-SNVBAGLBSA-N 0 3 370.812 2.670 20 5 FFBDHN Nc1c(C(=O)N2CC[C@H](N3CCCCC3)C2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC000932272007 739419936 /nfs/dbraw/zinc/41/99/36/739419936.db2.gz AEBHDNCSBGXBSW-JTQLQIEISA-N 0 3 370.812 2.670 20 5 FFBDHN CN1CCN(C)CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000933993211 739718669 /nfs/dbraw/zinc/71/86/69/739718669.db2.gz XRQKAEZNFXEFOG-UHFFFAOYSA-N 0 3 361.273 2.581 20 5 FFBDHN O=C(CN[C@H]1CCOC12CCCC2)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000934389352 739779539 /nfs/dbraw/zinc/77/95/39/739779539.db2.gz DAFLSYWHGIWOJF-AWEZNQCLSA-N 0 3 353.806 2.878 20 5 FFBDHN CC(COC(=O)CSc1nnc(-c2cccs2)n1C1CC1)[N+](=O)[O-] ZINC000813112003 741678264 /nfs/dbraw/zinc/67/82/64/741678264.db2.gz BSFSXDWTEADWAY-SECBINFHSA-N 0 3 368.440 2.642 20 5 FFBDHN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813113226 741678496 /nfs/dbraw/zinc/67/84/96/741678496.db2.gz OKPXBFVHEPRTTD-SMDDNHRTSA-N 0 3 356.806 2.693 20 5 FFBDHN C[C@]1(NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CN2CCC1CC2 ZINC000824894804 743172883 /nfs/dbraw/zinc/17/28/83/743172883.db2.gz MCPXIDNIUACASG-KRWDZBQOSA-N 0 3 351.834 2.781 20 5 FFBDHN CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(Cc2ccc(Cl)c(F)c2)CC1 ZINC001045436717 743273804 /nfs/dbraw/zinc/27/38/04/743273804.db2.gz VBOLMGPYCCOXKG-IUODEOHRSA-N 0 3 369.824 2.615 20 5 FFBDHN CCOc1cc(CN2C[C@@H](C)N(CCOC)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000830074295 745301986 /nfs/dbraw/zinc/30/19/86/745301986.db2.gz DXDYTGXONCPHMW-GASCZTMLSA-N 0 3 351.447 2.535 20 5 FFBDHN NC(=O)[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000839640960 746879442 /nfs/dbraw/zinc/87/94/42/746879442.db2.gz OGRLTZBHWQKQJR-JKSUJKDBSA-N 0 3 359.813 2.949 20 5 FFBDHN COC(=O)c1coc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000845879587 748343352 /nfs/dbraw/zinc/34/33/52/748343352.db2.gz VYWDTEWGJGIQJR-OTYXRUKQSA-N 0 3 351.286 2.769 20 5 FFBDHN Cc1cc(COCC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])on1 ZINC000845884095 748344819 /nfs/dbraw/zinc/34/48/19/748344819.db2.gz XKNDLHKIXONWJY-BDJLRTHQSA-N 0 3 352.318 2.588 20 5 FFBDHN COc1cnc(F)c(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000847736944 748770198 /nfs/dbraw/zinc/77/01/98/748770198.db2.gz GIEQIMYAMZSUAG-OTYXRUKQSA-N 0 3 352.293 2.932 20 5 FFBDHN C[C@@H](NC[C@H](O)c1cc(F)c(F)c(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850581376 749389403 /nfs/dbraw/zinc/38/94/03/749389403.db2.gz VPMJIGNEOTYPMA-GLEZIHRCSA-N 0 3 355.316 2.979 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H]2CCCN3CCCC[C@H]23)c1F ZINC000855054889 750419127 /nfs/dbraw/zinc/41/91/27/750419127.db2.gz AOYPOZQOFDDIPU-NWDGAFQWSA-N 0 3 353.369 2.928 20 5 FFBDHN Cc1cc(NCC2(C3(O)CCOCC3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000895820245 970984944 /nfs/dbraw/zinc/98/49/44/970984944.db2.gz PLTLCWGVXDSJTE-UHFFFAOYSA-N 0 3 357.410 2.607 20 5 FFBDHN C[C@@H](NCC(C)(C)[C@H]1COCC12OCCO2)c1c(F)cccc1[N+](=O)[O-] ZINC000872079690 1013140573 /nfs/dbraw/zinc/14/05/73/1013140573.db2.gz OEGHCHWVCDENBP-IUODEOHRSA-N 0 3 368.405 2.800 20 5 FFBDHN CN(C(=O)CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000135194330 963822463 /nfs/dbraw/zinc/82/24/63/963822463.db2.gz FFLZTWXYFUHBGU-OAHLLOKOSA-N 0 3 369.425 2.529 20 5 FFBDHN CCC(=O)N1CC[C@@H](NCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000134539165 963986365 /nfs/dbraw/zinc/98/63/65/963986365.db2.gz TWJZYCRDRQEQHX-CYBMUJFWSA-N 0 3 373.409 2.964 20 5 FFBDHN CC(C)N1CCCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC1 ZINC001143565651 965132015 /nfs/dbraw/zinc/13/20/15/965132015.db2.gz OZYMJFRKVDWVKE-UHFFFAOYSA-N 0 3 356.426 2.887 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CN1C1CC1 ZINC000177132638 969060287 /nfs/dbraw/zinc/06/02/87/969060287.db2.gz DIXHNCBAMZVSOI-GJZGRUSLSA-N 0 3 372.469 2.940 20 5 FFBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000874845398 1013916617 /nfs/dbraw/zinc/91/66/17/1013916617.db2.gz GGJZLLIUHJJPMO-WMZOPIPTSA-N 0 3 372.469 2.506 20 5 FFBDHN COc1cccc(N2CC[C@H](NCc3ccc(O)c(OC)c3[N+](=O)[O-])C2)c1 ZINC000892860493 970333009 /nfs/dbraw/zinc/33/30/09/970333009.db2.gz HCPDDGUYQWTAHY-AWEZNQCLSA-N 0 3 373.409 2.686 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](N(C)C)Cc2ccccc21 ZINC000067208768 977965685 /nfs/dbraw/zinc/96/56/85/977965685.db2.gz XCTLSTLOQPIVAU-OAHLLOKOSA-N 0 3 355.394 2.737 20 5 FFBDHN CN(CCN1CCN(c2cccc(F)c2[N+](=O)[O-])CC1)Cc1ccccc1 ZINC000729185110 978199186 /nfs/dbraw/zinc/19/91/86/978199186.db2.gz JXAAZABMMBZMKL-UHFFFAOYSA-N 0 3 372.444 2.988 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCC(NCc3noc4ccccc34)CC2)cn1 ZINC000877620511 1014649404 /nfs/dbraw/zinc/64/94/04/1014649404.db2.gz IOMXOLYDXAQKIX-UHFFFAOYSA-N 0 3 353.382 2.890 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000878087880 1014852079 /nfs/dbraw/zinc/85/20/79/1014852079.db2.gz AOHZTJJLWHUOMB-SFHVURJKSA-N 0 3 362.405 2.684 20 5 FFBDHN Cn1cc(CNCc2ccc(CCO)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000898172557 982633944 /nfs/dbraw/zinc/63/39/44/982633944.db2.gz OBHXSATXXHROGG-UHFFFAOYSA-N 0 3 366.421 2.820 20 5 FFBDHN CN(C)C[C@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c2ccccc2O1 ZINC000760820521 984531525 /nfs/dbraw/zinc/53/15/25/984531525.db2.gz FGKKVDAUPCRMFM-GKUQOKNUSA-N 0 3 367.405 2.964 20 5 FFBDHN CN(C)C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)c2ccccc2O1 ZINC000760823322 984533138 /nfs/dbraw/zinc/53/31/38/984533138.db2.gz QXHVYLCWSUOLMS-ZDUSSCGKSA-N 0 3 359.357 2.703 20 5 FFBDHN COc1cc(CNc2cc3c(cc2[N+](=O)[O-])CNC3)cc(OC)c1OC ZINC001168671520 987053278 /nfs/dbraw/zinc/05/32/78/987053278.db2.gz MAVSTNRGSMJEGC-UHFFFAOYSA-N 0 3 359.382 2.836 20 5 FFBDHN CC(COC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1)[N+](=O)[O-] ZINC000813115725 995626853 /nfs/dbraw/zinc/62/68/53/995626853.db2.gz YSDQBJMATQWIEV-FZMZJTMJSA-N 0 3 370.377 2.642 20 5 FFBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000843889499 997482416 /nfs/dbraw/zinc/48/24/16/997482416.db2.gz CIKRYJCSBRCLAY-OAHLLOKOSA-N 0 3 373.384 2.861 20 5 FFBDHN CC([C@H](OC(=O)CN(C)C(=O)OC(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845873765 998677183 /nfs/dbraw/zinc/67/71/83/998677183.db2.gz GAOHHVBPVCTECG-NHYWBVRUSA-N 0 3 370.377 2.942 20 5 FFBDHN CC([C@H](OC(=O)[C@H]1CCCc2nn(C)cc21)c1ccccc1F)[N+](=O)[O-] ZINC000845880022 998677809 /nfs/dbraw/zinc/67/78/09/998677809.db2.gz JYMGZNRNSKZAPR-PEBVRCNWSA-N 0 3 361.373 2.929 20 5 FFBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745943429 999938228 /nfs/dbraw/zinc/93/82/28/999938228.db2.gz DGTCXPAAKZAVDY-OAHLLOKOSA-N 0 3 365.430 2.915 20 5 FFBDHN O=C(c1ccccc1)N1CCC[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CNC3)C1 ZINC001168900911 1000005130 /nfs/dbraw/zinc/00/51/30/1000005130.db2.gz YSJVDUMXAVAAMK-QGZVFWFLSA-N 0 3 366.421 2.915 20 5 FFBDHN O=C(CN[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(Br)c(F)c1 ZINC001168975780 1000013731 /nfs/dbraw/zinc/01/37/31/1000013731.db2.gz XDNLIUGBSCJEQP-MWLCHTKSSA-N 0 3 359.195 2.806 20 5 FFBDHN Cc1cc(F)ccc1[C@@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000746669449 1001681700 /nfs/dbraw/zinc/68/17/00/1001681700.db2.gz CLPAQVNUVQOFET-YOEHRIQHSA-N 0 3 360.389 2.657 20 5 FFBDHN Cc1nccn1-c1ccc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC000788556991 1001819922 /nfs/dbraw/zinc/81/99/22/1001819922.db2.gz IXXLERLQKKICEG-LBPRGKRZSA-N 0 3 352.398 2.917 20 5 FFBDHN Cc1c(CO)cc([N+](=O)[O-])c(NC[C@H]2N(C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000790284845 1002318782 /nfs/dbraw/zinc/31/87/82/1002318782.db2.gz IDUKFBXSSNMZJE-CQSZACIVSA-N 0 3 366.418 2.836 20 5 FFBDHN COc1ccc(C[C@H](C)N[C@H](CO)c2ccccc2OC)c([N+](=O)[O-])c1 ZINC001170326559 1003113742 /nfs/dbraw/zinc/11/37/42/1003113742.db2.gz MNUDBFCJIXRREV-SUMWQHHRSA-N 0 3 360.410 2.866 20 5 FFBDHN COc1ccc([C@H]2CN(Cc3cc([N+](=O)[O-])ccc3OC)CCN2)cc1 ZINC001197050477 1004047923 /nfs/dbraw/zinc/04/79/23/1004047923.db2.gz BUAOCUBREVTEBO-GOSISDBHSA-N 0 3 357.410 2.759 20 5 FFBDHN O=C(O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CCN(C2CC2)CC1 ZINC000805897698 1004173655 /nfs/dbraw/zinc/17/36/55/1004173655.db2.gz VSWPOFXPSZFJQX-CVEARBPZSA-N 0 3 362.430 2.693 20 5 FFBDHN CN(Cc1ccccc1F)Cc1ccccc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001050244692 1016929543 /nfs/dbraw/zinc/92/95/43/1016929543.db2.gz SMOLYPITEZWTKE-IEBWSBKVSA-N 0 3 371.412 2.739 20 5 FFBDHN CC[C@@H](C)NC(=O)c1cccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000776276615 1005342973 /nfs/dbraw/zinc/34/29/73/1005342973.db2.gz LDNHSPSLJXXJAL-AUUYWEPGSA-N 0 3 371.437 2.946 20 5 FFBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)N(C)Cc1ccccc1 ZINC000110349881 1005931456 /nfs/dbraw/zinc/93/14/56/1005931456.db2.gz XMENIEYBWBIZQU-OAHLLOKOSA-N 0 3 370.453 2.911 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H](c3ccccc3)[C@H](CO)C2)c1 ZINC000852520682 1006063330 /nfs/dbraw/zinc/06/33/30/1006063330.db2.gz NCESZVJEKVNIKV-DFQSSKMNSA-N 0 3 356.422 2.726 20 5 FFBDHN CC(=O)N1CC[C@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000819192466 1008062534 /nfs/dbraw/zinc/06/25/34/1008062534.db2.gz YQPKEXMSTYFWBD-PKOBYXMFSA-N 0 3 355.394 2.716 20 5 FFBDHN C[C@@]1(NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CCN(Cc2ccccc2)C1 ZINC000823921527 1009282978 /nfs/dbraw/zinc/28/29/78/1009282978.db2.gz WQDGNGLQPKZSML-LJQANCHMSA-N 0 3 369.425 2.963 20 5 FFBDHN Cc1n[nH]c(C)c1[C@@H]1CCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000130600810 1009352314 /nfs/dbraw/zinc/35/23/14/1009352314.db2.gz QILUOPAPUCFFIS-RDJZCZTQSA-N 0 3 360.414 2.512 20 5 FFBDHN CN1C[C@@H]2CN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)C[C@]2(C)C1 ZINC000887927828 1009683313 /nfs/dbraw/zinc/68/33/13/1009683313.db2.gz KWIMPKXLNYWHBO-QRQCRPRQSA-N 0 3 361.445 2.705 20 5 FFBDHN CCCc1[n-]nc(C(=O)OCC[N@H+](C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000796259497 1011548701 /nfs/dbraw/zinc/54/87/01/1011548701.db2.gz LJBJAJAUDDRVMT-UHFFFAOYSA-N 0 3 364.377 2.698 20 5 FFBDHN CCCc1[n-]nc(C(=O)OCC[N@@H+](C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000796259497 1011548710 /nfs/dbraw/zinc/54/87/10/1011548710.db2.gz LJBJAJAUDDRVMT-UHFFFAOYSA-N 0 3 364.377 2.698 20 5 FFBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccccc2)[C@H](CO)C1 ZINC001173224444 1012358870 /nfs/dbraw/zinc/35/88/70/1012358870.db2.gz FWOVRMCFNQYBJR-UTKZUKDTSA-N 0 3 369.465 2.705 20 5 FFBDHN COc1ccnc(O[C@H]2CCCN([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001173237405 1012381834 /nfs/dbraw/zinc/38/18/34/1012381834.db2.gz JCIWXWOGPJNBGO-YOEHRIQHSA-N 0 3 372.425 2.868 20 5 FFBDHN O=C(CCN1CC[C@@](O)(c2ccc(F)cc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000777734470 1019202420 /nfs/dbraw/zinc/20/24/20/1019202420.db2.gz QQKCVIXECSOSEP-IBGZPJMESA-N 0 3 373.384 2.656 20 5 FFBDHN C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@@H](c1ccccc1)N(C)C ZINC000801952414 1019535802 /nfs/dbraw/zinc/53/58/02/1019535802.db2.gz WEXVLBVKNZBLQF-DIFFPNOSSA-N 0 3 360.389 2.737 20 5 FFBDHN COc1cc([C@H](C)NCCN2C[C@H]3CCCCN3C2=O)cc([N+](=O)[O-])c1 ZINC000903204868 1020737284 /nfs/dbraw/zinc/73/72/84/1020737284.db2.gz XJLJLVFYICHYSC-DZGCQCFKSA-N 0 3 362.430 2.544 20 5 FFBDHN O=C(CN1CCCC[C@@H]([C@@H]2CCOC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000934840510 1021424357 /nfs/dbraw/zinc/42/43/57/1021424357.db2.gz FXJOBENBFZHDIU-IAGOWNOFSA-N 0 3 373.453 2.623 20 5 FFBDHN O=C(CN1CCCC[C@@H]([C@H]2CCOC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000934841629 1021426102 /nfs/dbraw/zinc/42/61/02/1021426102.db2.gz NBCALIFUCPDXJQ-SJORKVTESA-N 0 3 373.453 2.623 20 5 FFBDHN CC(C)(C)c1ccc(CN2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001017543895 1022247093 /nfs/dbraw/zinc/24/70/93/1022247093.db2.gz HVZMGZXQTFHAMK-FCGDIQPGSA-N 0 3 371.481 2.825 20 5 FFBDHN CCC1(N2CCC2)CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC001119375351 1022718371 /nfs/dbraw/zinc/71/83/71/1022718371.db2.gz OWQZCECYHCDJRD-UHFFFAOYSA-N 0 3 367.471 2.542 20 5 FFBDHN C/C(=C\C(=O)N(CCN(C)C)C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000752029343 1023028534 /nfs/dbraw/zinc/02/85/34/1023028534.db2.gz DPJZJZSKFKIQSY-DUVHGLKDSA-N 0 3 361.442 2.567 20 5 FFBDHN CC(C)(C)OC(=O)c1ccc(O[C@@H]2CNCCC2(F)F)c([N+](=O)[O-])c1 ZINC001218450906 1033161582 /nfs/dbraw/zinc/16/15/82/1033161582.db2.gz ABIVCHVVHHQOIU-CYBMUJFWSA-N 0 3 358.341 2.926 20 5 FFBDHN Cc1c(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000837186310 1025640564 /nfs/dbraw/zinc/64/05/64/1025640564.db2.gz PNEZJHGPDGODAA-CYBMUJFWSA-N 0 3 364.402 2.675 20 5 FFBDHN CN(CCOC(=O)COc1ccc([N+](=O)[O-])c(F)c1)Cc1ccccc1 ZINC000837478122 1025837159 /nfs/dbraw/zinc/83/71/59/1025837159.db2.gz UQMOJIPFZXWEJG-UHFFFAOYSA-N 0 3 362.357 2.788 20 5 FFBDHN O=C(Nc1ccc(Nc2ccncc2)cc1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC001161584327 1028240289 /nfs/dbraw/zinc/24/02/89/1028240289.db2.gz ZNFQOHWLTOCFFC-UHFFFAOYSA-N 0 3 351.322 2.508 20 5 FFBDHN CSc1nc(Cl)c([N+](=O)[O-])c(NC[C@@H]2Cc3ccccc3CN2)n1 ZINC001163272738 1028867025 /nfs/dbraw/zinc/86/70/25/1028867025.db2.gz RQLIYWYMJRNFIE-NSHDSACASA-N 0 3 365.846 2.887 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1cccc(CN2CCCCC2)c1 ZINC000842293541 1030673082 /nfs/dbraw/zinc/67/30/82/1030673082.db2.gz JKHXTHFEIFYXAR-UHFFFAOYSA-N 0 3 372.425 2.943 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2ncn(CN3CCC[C@@H]3[C@@H]3CCCOC3)n2)c1 ZINC000842616425 1030827184 /nfs/dbraw/zinc/82/71/84/1030827184.db2.gz ORMKIKGISRKJBW-NVXWUHKLSA-N 0 3 357.414 2.702 20 5 FFBDHN COc1cc(CNC[C@H]2CCN2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001203770957 1030878093 /nfs/dbraw/zinc/87/80/93/1030878093.db2.gz LNLFZKATNGWDGP-QGZVFWFLSA-N 0 3 371.437 2.976 20 5 FFBDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000830535075 1033660752 /nfs/dbraw/zinc/66/07/52/1033660752.db2.gz BFZNFLSCEQEVRV-UHFFFAOYSA-N 0 3 361.373 2.644 20 5 FFBDHN Cc1cc2[n-]c(OC[C@H]3CCC4(CC[NH+](C)CC4)O3)nc2cc1[N+](=O)[O-] ZINC001228672081 1036244322 /nfs/dbraw/zinc/24/43/22/1036244322.db2.gz PCPAXLVUTLFQRG-CYBMUJFWSA-N 0 3 360.414 2.802 20 5 FFBDHN CC1(C)CN(Cc2ccccc2)CC[C@H]1Oc1cc[n+]([O-])cc1[N+](=O)[O-] ZINC001229452999 1036684597 /nfs/dbraw/zinc/68/45/97/1036684597.db2.gz ZHYYLWRETIERTP-GOSISDBHSA-N 0 3 357.410 2.908 20 5 FFBDHN CN1CCc2c(cccc2O[C@H]2CCN(c3ccc([N+](=O)[O-])cn3)C2)C1 ZINC001234423525 1037030632 /nfs/dbraw/zinc/03/06/32/1037030632.db2.gz LVTWXUIWCDMISF-INIZCTEOSA-N 0 3 354.410 2.635 20 5 FFBDHN O=C(c1cccc([N+](=O)[O-])c1)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001276649943 1038989473 /nfs/dbraw/zinc/98/94/73/1038989473.db2.gz CGLKKXWCPWACLL-MJGOQNOKSA-N 0 3 351.406 2.941 20 5 FFBDHN COc1ccc(-c2noc(C[C@@H](N)c3ccccc3[N+](=O)[O-])n2)cc1OC ZINC001249343413 1040692027 /nfs/dbraw/zinc/69/20/27/1040692027.db2.gz ZTWHTIGUJYUCML-CYBMUJFWSA-N 0 3 370.365 2.905 20 5 FFBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC(NC(=O)c2ccccn2)CC1 ZINC001254570126 1040804468 /nfs/dbraw/zinc/80/44/68/1040804468.db2.gz NCKGLLKFNCIGPT-HNNXBMFYSA-N 0 3 368.437 2.815 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](NCc1cc(OCC3CCC3)ncn1)C2 ZINC001254586536 1040818969 /nfs/dbraw/zinc/81/89/69/1040818969.db2.gz LJEYOPVSIFITHC-INIZCTEOSA-N 0 3 354.410 2.821 20 5 FFBDHN CC(C)(C)OC(=O)NCCC1CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254604866 1040834938 /nfs/dbraw/zinc/83/49/38/1040834938.db2.gz XXGAANLCGULFES-KRWDZBQOSA-N 0 3 361.442 2.909 20 5 FFBDHN COc1ccc(CN[C@H]2CCCN(C(=O)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001318371498 1045285360 /nfs/dbraw/zinc/28/53/60/1045285360.db2.gz ICUCQAOPPXEPFU-KRWDZBQOSA-N 0 3 369.421 2.998 20 5 FFBDHN CS[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1N(C)C ZINC001321061001 1045527829 /nfs/dbraw/zinc/52/78/29/1045527829.db2.gz TWAHAJPIBBPWIF-STQMWFEESA-N 0 3 358.851 2.758 20 5 FFBDHN Cc1ccnc(NCc2cccc(CN3CCN(C)CC3)c2)c1[N+](=O)[O-] ZINC001322902911 1046266993 /nfs/dbraw/zinc/26/69/93/1046266993.db2.gz JIXZBTGYOITFHH-UHFFFAOYSA-N 0 3 355.442 2.658 20 5 FFBDHN O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001540412473 1070882109 /nfs/dbraw/zinc/88/21/09/1070882109.db2.gz SKCNOGLUXHPSBC-LBPRGKRZSA-N 0 3 363.805 2.538 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)n1 ZINC001540452376 1070894842 /nfs/dbraw/zinc/89/48/42/1070894842.db2.gz FYPPEDMBQGYONV-GOSISDBHSA-N 0 3 354.410 2.865 20 5 FFBDHN CCN(CC)[C@H](CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1ccsc1 ZINC001543828181 1071553881 /nfs/dbraw/zinc/55/38/81/1071553881.db2.gz APQSBDQLBHCBDE-SNVBAGLBSA-N 0 3 371.850 2.846 20 5 FFBDHN C[C@H](c1nnc(N2CCN(CCC(C)(C)C)CC2)n1CC1CC1)[N+](=O)[O-] ZINC001350518324 1055812830 /nfs/dbraw/zinc/81/28/30/1055812830.db2.gz MBABQHICOBBVFN-CQSZACIVSA-N 0 3 364.494 2.584 20 5 FFBDHN CCn1c([C@H]2CCCN(C)C2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001339688779 1056709872 /nfs/dbraw/zinc/70/98/72/1056709872.db2.gz MYFGGVHNFWWLAM-HNNXBMFYSA-N 0 3 370.457 2.578 20 5 FFBDHN CC1CCC(N2CCN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])CC2)CC1 ZINC001444109734 1058272142 /nfs/dbraw/zinc/27/21/42/1058272142.db2.gz UQGPKJWXQWWQFL-UHFFFAOYSA-N 0 3 363.433 2.999 20 5 FFBDHN C[C@@H](NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)C1=CCN(C)CC1 ZINC001447566239 1058670425 /nfs/dbraw/zinc/67/04/25/1058670425.db2.gz YGSQUJVTYLQHKN-GFCCVEGCSA-N 0 3 354.410 2.710 20 5 FFBDHN CN(CCc1nccc(C(F)(F)F)n1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001355083148 1059871337 /nfs/dbraw/zinc/87/13/37/1059871337.db2.gz DCIAMDXCJGFKCB-CYBMUJFWSA-N 0 3 370.331 2.612 20 5 FFBDHN O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1CN1CCC[C@H]1[C@@H]1CCCOC1 ZINC000848490363 1060146745 /nfs/dbraw/zinc/14/67/45/1060146745.db2.gz ZZLOHHNZLUQQRG-NEWSRXKRSA-N 0 3 373.453 2.759 20 5 FFBDHN COC(=O)COc1ccc(CN(C)CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC001459979937 1060864226 /nfs/dbraw/zinc/86/42/26/1060864226.db2.gz LGOGIQIVXGLPTB-UHFFFAOYSA-N 0 3 374.393 2.657 20 5 FFBDHN C[C@@H]1CN(CCCCNc2ncnc3cccc([N+](=O)[O-])c32)C[C@@H](C)O1 ZINC000544394230 1061125916 /nfs/dbraw/zinc/12/59/16/1061125916.db2.gz PKCNOEMMXMFUDX-ZIAGYGMSSA-N 0 3 359.430 2.839 20 5 FFBDHN COc1cc([N+](=O)[O-])cnc1NC(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC001438799493 1063048020 /nfs/dbraw/zinc/04/80/20/1063048020.db2.gz KCEDTAXYKKXFGE-UWVGGRQHSA-N 0 3 363.292 2.685 20 5 FFBDHN Cc1cc(S(=O)(=O)[N-][C@H](CC[NH+](C)C)C(C)(C)C)c([N+](=O)[O-])s1 ZINC001474960196 1065655794 /nfs/dbraw/zinc/65/57/94/1065655794.db2.gz AQNIGVPJXGZACH-GFCCVEGCSA-N 0 3 363.505 2.609 20 5 FFBDHN CCN1C[C@H](NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C(C)(C)C1 ZINC001558527868 1076025437 /nfs/dbraw/zinc/02/54/37/1076025437.db2.gz SWOFYSQCOSGMQW-AWEZNQCLSA-N 0 3 364.402 2.580 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC001560949614 1076313170 /nfs/dbraw/zinc/31/31/70/1076313170.db2.gz CRFVPQPGXBIERH-IAGOWNOFSA-N 0 3 365.861 2.981 20 5 FFBDHN CC(C)[NH+]1CCC(CCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001574286927 1077948708 /nfs/dbraw/zinc/94/87/08/1077948708.db2.gz VPOMMZUWLZFNBY-UHFFFAOYSA-N 0 3 359.434 2.697 20 5 FFBDHN CC(C)[NH+]1CCC(CCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001574286927 1077948710 /nfs/dbraw/zinc/94/87/10/1077948710.db2.gz VPOMMZUWLZFNBY-UHFFFAOYSA-N 0 3 359.434 2.697 20 5 FFBDHN C[C@@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+](C)C ZINC001589980797 1080919986 /nfs/dbraw/zinc/91/99/86/1080919986.db2.gz FEOQNZQPSFVWAK-SJKOYZFVSA-N 0 3 367.413 2.878 20 5 FFBDHN C[C@@H](c1cccc(-c2nnn[n-]2)c1)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001590043546 1080969744 /nfs/dbraw/zinc/96/97/44/1080969744.db2.gz OTQAGNNWJNGXFB-SJCJKPOMSA-N 0 3 368.397 2.501 20 5 FFBDHN C[C@@H](c1cccc(-c2nnn[n-]2)c1)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001590043546 1080969747 /nfs/dbraw/zinc/96/97/47/1080969747.db2.gz OTQAGNNWJNGXFB-SJCJKPOMSA-N 0 3 368.397 2.501 20 5 FFBDHN C[C@@H](c1cccc(-c2nn[n-]n2)c1)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001590043546 1080969751 /nfs/dbraw/zinc/96/97/51/1080969751.db2.gz OTQAGNNWJNGXFB-SJCJKPOMSA-N 0 3 368.397 2.501 20 5 FFBDHN C[C@@H](c1cccc(-c2nn[n-]n2)c1)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001590043546 1080969754 /nfs/dbraw/zinc/96/97/54/1080969754.db2.gz OTQAGNNWJNGXFB-SJCJKPOMSA-N 0 3 368.397 2.501 20 5 FFBDHN C[C@@H](c1cccc(-c2nnn[n-]2)c1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC001590045883 1080972994 /nfs/dbraw/zinc/97/29/94/1080972994.db2.gz FNFGUTXEYIVOOM-ZDUSSCGKSA-N 0 3 368.397 2.847 20 5 FFBDHN C[C@@H](c1cccc(-c2nnn[n-]2)c1)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC001590045883 1080972996 /nfs/dbraw/zinc/97/29/96/1080972996.db2.gz FNFGUTXEYIVOOM-ZDUSSCGKSA-N 0 3 368.397 2.847 20 5 FFBDHN C[C@@H](c1cccc(-c2nn[n-]n2)c1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC001590045883 1080972998 /nfs/dbraw/zinc/97/29/98/1080972998.db2.gz FNFGUTXEYIVOOM-ZDUSSCGKSA-N 0 3 368.397 2.847 20 5 FFBDHN C[C@@H](c1cccc(-c2nn[n-]n2)c1)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC001590045883 1080973001 /nfs/dbraw/zinc/97/30/01/1080973001.db2.gz FNFGUTXEYIVOOM-ZDUSSCGKSA-N 0 3 368.397 2.847 20 5 FFBDHN CC1([NH+]2CCC2)CCC(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001590141591 1081046737 /nfs/dbraw/zinc/04/67/37/1081046737.db2.gz KGWACRYILAQXBS-UHFFFAOYSA-N 0 3 357.418 2.594 20 5 FFBDHN CC1([NH+]2CCC2)CCC(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001590141591 1081046741 /nfs/dbraw/zinc/04/67/41/1081046741.db2.gz KGWACRYILAQXBS-UHFFFAOYSA-N 0 3 357.418 2.594 20 5 FFBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CCN(CCc2ccccc2)CC1 ZINC000027938400 249345987 /nfs/dbraw/zinc/34/59/87/249345987.db2.gz OZKIXGBWGZBPRH-UHFFFAOYSA-N 0 3 367.449 2.961 20 5 FFBDHN Cc1cc(C(=O)NCC2CCN(c3ccncc3)CC2)cc([N+](=O)[O-])c1 ZINC000093064762 250015372 /nfs/dbraw/zinc/01/53/72/250015372.db2.gz CXXDAXWCXYIJDY-UHFFFAOYSA-N 0 3 354.410 2.945 20 5 FFBDHN COc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000093191610 250022460 /nfs/dbraw/zinc/02/24/60/250022460.db2.gz OYDQUZYZPXHEJP-UHFFFAOYSA-N 0 3 370.409 2.645 20 5 FFBDHN COc1cc(CNCCc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])cc1OC ZINC000105448242 250213716 /nfs/dbraw/zinc/21/37/16/250213716.db2.gz VBSYPOXZTLNTKI-UHFFFAOYSA-N 0 3 361.354 2.853 20 5 FFBDHN Cc1c(NC(=O)NC2CCN(CCOC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000175573180 251230622 /nfs/dbraw/zinc/23/06/22/251230622.db2.gz VUMILLJQTJTJCJ-UHFFFAOYSA-N 0 3 364.446 2.914 20 5 FFBDHN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)CCCn1ccnc1 ZINC000181108630 251242781 /nfs/dbraw/zinc/24/27/81/251242781.db2.gz CVYSTDMVSJDVBM-GFCCVEGCSA-N 0 3 365.821 2.794 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000192530268 251283993 /nfs/dbraw/zinc/28/39/93/251283993.db2.gz SUFIZQDSPCZCQN-UHFFFAOYSA-N 0 3 358.398 2.628 20 5 FFBDHN C[C@H]1C[C@H](N(C)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000272465983 252045932 /nfs/dbraw/zinc/04/59/32/252045932.db2.gz HPGXGZIUZJQBKJ-SWLSCSKDSA-N 0 3 368.865 2.915 20 5 FFBDHN C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000272860071 252150686 /nfs/dbraw/zinc/15/06/86/252150686.db2.gz IFDQXQWILVDYAR-JTQLQIEISA-N 0 3 357.332 2.994 20 5 FFBDHN C[C@H]1CN(CCCCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000273340154 252284403 /nfs/dbraw/zinc/28/44/03/252284403.db2.gz ACJSFMDWHQVELX-STQMWFEESA-N 0 3 368.409 2.745 20 5 FFBDHN CC(C)OCCN1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273523903 252323364 /nfs/dbraw/zinc/32/33/64/252323364.db2.gz ZFCAENRSFACFJB-UHFFFAOYSA-N 0 3 368.409 2.745 20 5 FFBDHN CN(C)CCOc1cc(-c2noc(-c3ccc([N+](=O)[O-])s3)n2)ccn1 ZINC000273867693 255803438 /nfs/dbraw/zinc/80/34/38/255803438.db2.gz HJLLPAYMLOKKBL-UHFFFAOYSA-N 0 3 361.383 2.709 20 5 FFBDHN CN(C)CCc1ccccc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000275889528 256056736 /nfs/dbraw/zinc/05/67/36/256056736.db2.gz RXMMIFUKVNUGOL-UHFFFAOYSA-N 0 3 356.426 2.774 20 5 FFBDHN COc1cc(C(=O)Nc2ccccc2CCN(C)C)cc([N+](=O)[O-])c1OC ZINC000275911188 256058554 /nfs/dbraw/zinc/05/85/54/256058554.db2.gz VNRJXPOYAGDZOF-UHFFFAOYSA-N 0 3 373.409 2.968 20 5 FFBDHN CS[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1N1CCCC1 ZINC000275703291 256040497 /nfs/dbraw/zinc/04/04/97/256040497.db2.gz JSUVFDOGGPGLNC-CABCVRRESA-N 0 3 350.444 2.638 20 5 FFBDHN CSc1ccc(C(=O)NCCCN2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000277654152 256222404 /nfs/dbraw/zinc/22/24/04/256222404.db2.gz SVFLIIBILFSUNY-CYBMUJFWSA-N 0 3 367.471 2.547 20 5 FFBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000285813460 257006231 /nfs/dbraw/zinc/00/62/31/257006231.db2.gz NJAVOBNTRHZPSU-XJKSGUPXSA-N 0 3 358.442 2.868 20 5 FFBDHN O=[N+]([O-])c1cnn(CCN2CCC(c3noc4cc(F)ccc43)CC2)c1 ZINC000289752544 257297129 /nfs/dbraw/zinc/29/71/29/257297129.db2.gz KHHJWEQZRGBMOQ-UHFFFAOYSA-N 0 3 359.361 2.951 20 5 FFBDHN C[C@H]1C[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000290829204 257359966 /nfs/dbraw/zinc/35/99/66/257359966.db2.gz UIQJRQGIXLMTJB-DZGCQCFKSA-N 0 3 369.425 2.554 20 5 FFBDHN C[C@H]1[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000291678547 257416847 /nfs/dbraw/zinc/41/68/47/257416847.db2.gz CCGRDFZDNIAUAR-XJKSGUPXSA-N 0 3 354.410 2.570 20 5 FFBDHN COCCCN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCN(C)CC1 ZINC000291901356 257436900 /nfs/dbraw/zinc/43/69/00/257436900.db2.gz QOLCJUSBWIOHCA-UHFFFAOYSA-N 0 3 374.441 2.649 20 5 FFBDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000294691574 257598493 /nfs/dbraw/zinc/59/84/93/257598493.db2.gz KNNAXKGRMYZDSD-UHFFFAOYSA-N 0 3 357.401 2.691 20 5 FFBDHN O=C(CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000296286345 257690705 /nfs/dbraw/zinc/69/07/05/257690705.db2.gz OZLQZZWCGURAOM-LYRGGWFBSA-N 0 3 365.817 2.734 20 5 FFBDHN Cc1c(NC(=O)CCN2CCC(c3ccncn3)CC2)cccc1[N+](=O)[O-] ZINC000298536991 257919847 /nfs/dbraw/zinc/91/98/47/257919847.db2.gz XAWXNZYHROCYRC-UHFFFAOYSA-N 0 3 369.425 2.901 20 5 FFBDHN CNC(=O)c1ccc(N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000302163214 258092064 /nfs/dbraw/zinc/09/20/64/258092064.db2.gz IKQPPQZZDLMUAT-RDTXWAMCSA-N 0 3 368.437 2.887 20 5 FFBDHN Cc1cc(N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000302431322 258101970 /nfs/dbraw/zinc/10/19/70/258101970.db2.gz LFRSWXXMLZNRHW-HXUWFJFHSA-N 0 3 355.438 2.976 20 5 FFBDHN CCN1CCCC[C@H]1CNc1c([N+](=O)[O-])cc(CO)c(C)c1[N+](=O)[O-] ZINC000301557121 258056035 /nfs/dbraw/zinc/05/60/35/258056035.db2.gz SMXRGFCYDOZBOX-ZDUSSCGKSA-N 0 3 352.391 2.590 20 5 FFBDHN CN(C)[C@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)c1ccccc1 ZINC000301588740 258057806 /nfs/dbraw/zinc/05/78/06/258057806.db2.gz CDLMAGWRQACRPU-MRXNPFEDSA-N 0 3 356.382 2.641 20 5 FFBDHN COC(=O)c1cc([N+](=O)[O-])c(N(C)C[C@@H]2CCCN(C)C2)cc1Cl ZINC000301690876 258063177 /nfs/dbraw/zinc/06/31/77/258063177.db2.gz WJBZPRDTTRRBCN-LLVKDONJSA-N 0 3 355.822 2.813 20 5 FFBDHN CC(C)CN1CCC[C@@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301757277 258066412 /nfs/dbraw/zinc/06/64/12/258066412.db2.gz DXZSLNAUZCZUHZ-AWEZNQCLSA-N 0 3 369.487 2.778 20 5 FFBDHN O=[N+]([O-])c1cnc2ccc(NC[C@@H]3CCCN3Cc3ccccc3)nn21 ZINC000302011205 258081403 /nfs/dbraw/zinc/08/14/03/258081403.db2.gz WIXTXOOLZPCLKD-HNNXBMFYSA-N 0 3 352.398 2.714 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCN1C ZINC000332608924 258237203 /nfs/dbraw/zinc/23/72/03/258237203.db2.gz BEIAPZKVXFXAJR-WCQYABFASA-N 0 3 360.439 2.931 20 5 FFBDHN CCOc1ccc(C(=O)NCc2cccc(CN(C)C)c2)cc1[N+](=O)[O-] ZINC000033084315 506334528 /nfs/dbraw/zinc/33/45/28/506334528.db2.gz ZEGWEPMXNDVHBE-UHFFFAOYSA-N 0 3 357.410 2.985 20 5 FFBDHN O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000065866560 506382345 /nfs/dbraw/zinc/38/23/45/506382345.db2.gz HBHXLNIIDITDDJ-QGZVFWFLSA-N 0 3 368.437 2.788 20 5 FFBDHN O=C(CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1)OCc1ccccc1 ZINC000373283276 512254300 /nfs/dbraw/zinc/25/43/00/512254300.db2.gz GDTXCJPGUHQPTK-UHFFFAOYSA-N 0 3 358.398 2.562 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NCCN(C)Cc1ccccc1 ZINC000054348101 506540461 /nfs/dbraw/zinc/54/04/61/506540461.db2.gz IZFSOPTVZSOVFK-UHFFFAOYSA-N 0 3 358.398 2.857 20 5 FFBDHN CN(C)[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000067811204 507015273 /nfs/dbraw/zinc/01/52/73/507015273.db2.gz NULUMIICLOMBCA-LJQANCHMSA-N 0 3 366.421 2.969 20 5 FFBDHN CCN1CCC[C@@H]1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000068265789 507167524 /nfs/dbraw/zinc/16/75/24/507167524.db2.gz FKDGRCLEWAVVKL-DGCLKSJQSA-N 0 3 355.822 2.616 20 5 FFBDHN CCOc1ccc([C@H](C)N[C@@H]2CCN(c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000371313969 512323574 /nfs/dbraw/zinc/32/35/74/512323574.db2.gz PJYIRYOAXSKZCH-DZGCQCFKSA-N 0 3 359.430 2.657 20 5 FFBDHN CC(C)N1CCCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000068775369 507320271 /nfs/dbraw/zinc/32/02/71/507320271.db2.gz IIWSZYJTVFQSTI-ZDUSSCGKSA-N 0 3 369.849 2.958 20 5 FFBDHN O=C(COc1ccccc1[N+](=O)[O-])N1CCN(CC2CCCCC2)CC1 ZINC000060579033 507565037 /nfs/dbraw/zinc/56/50/37/507565037.db2.gz SKUKBBUNOBLVTK-UHFFFAOYSA-N 0 3 361.442 2.698 20 5 FFBDHN CC(C)CN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC(C)C ZINC000026647670 507600336 /nfs/dbraw/zinc/60/03/36/507600336.db2.gz MZUHCKKWMSIRCD-UHFFFAOYSA-N 0 3 351.403 2.876 20 5 FFBDHN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000029177986 507766723 /nfs/dbraw/zinc/76/67/23/507766723.db2.gz JIXFDJUXRITPSR-IBGZPJMESA-N 0 3 369.421 2.927 20 5 FFBDHN COc1ccc(C(=O)N(CCN(C)C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000072729627 507848535 /nfs/dbraw/zinc/84/85/35/507848535.db2.gz IFXGIICPWLFZBD-UHFFFAOYSA-N 0 3 357.410 2.807 20 5 FFBDHN CCOCCO[C@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000092067293 508038745 /nfs/dbraw/zinc/03/87/45/508038745.db2.gz ATHNZHDATJOOQM-SFHVURJKSA-N 0 3 374.441 2.623 20 5 FFBDHN C[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000110965702 508060679 /nfs/dbraw/zinc/06/06/79/508060679.db2.gz YHFINTVPEUVFJE-HNNXBMFYSA-N 0 3 356.426 2.643 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000080611360 508088904 /nfs/dbraw/zinc/08/89/04/508088904.db2.gz BRBMVCVVPPKVAK-UHFFFAOYSA-N 0 3 356.426 2.807 20 5 FFBDHN C[C@H]1CN(CCCCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H](C)O1 ZINC000085457042 508309480 /nfs/dbraw/zinc/30/94/80/508309480.db2.gz UEJPLLPHWAYBDS-KBPBESRZSA-N 0 3 374.441 2.695 20 5 FFBDHN O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000114642918 508333748 /nfs/dbraw/zinc/33/37/48/508333748.db2.gz RPIQEFHMGPCLLL-SFHVURJKSA-N 0 3 369.421 2.754 20 5 FFBDHN CCCN(CCN(C)C)C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000104531361 508338107 /nfs/dbraw/zinc/33/81/07/508338107.db2.gz MQMVBDANUHVQTI-GFCCVEGCSA-N 0 3 357.838 2.816 20 5 FFBDHN Nc1c(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc(F)cc1[N+](=O)[O-] ZINC000114695022 508338743 /nfs/dbraw/zinc/33/87/43/508338743.db2.gz UUCJIICPBPUNGV-HNNXBMFYSA-N 0 3 372.400 2.711 20 5 FFBDHN C[C@H](O)CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCCCC1 ZINC000104684652 508342137 /nfs/dbraw/zinc/34/21/37/508342137.db2.gz IMIZDMIWNJSROO-ZDUSSCGKSA-N 0 3 350.415 2.977 20 5 FFBDHN CCC(C)(C)NC(=O)C(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000077767104 508369454 /nfs/dbraw/zinc/36/94/54/508369454.db2.gz VXLZEGYPUDQJEA-GFCCVEGCSA-N 0 3 356.444 2.511 20 5 FFBDHN CCOC(=O)c1ccnc(NCCN(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000077932806 508393259 /nfs/dbraw/zinc/39/32/59/508393259.db2.gz RHBFRZWKPPRRAZ-UHFFFAOYSA-N 0 3 358.398 2.710 20 5 FFBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@](C)(O)c1cccs1 ZINC000156941514 508500449 /nfs/dbraw/zinc/50/04/49/508500449.db2.gz SVKUUGSFLKRJLM-PXAZEXFGSA-N 0 3 363.439 2.871 20 5 FFBDHN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCCN(C)C)cc1 ZINC000122834978 508594183 /nfs/dbraw/zinc/59/41/83/508594183.db2.gz KFCZXPVKRUPCGB-UHFFFAOYSA-N 0 3 359.382 2.687 20 5 FFBDHN COc1cc(CN[C@@H](C)[C@@H](C)CO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000123216872 508653736 /nfs/dbraw/zinc/65/37/36/508653736.db2.gz MMDZLICPBRLMTO-UWVGGRQHSA-N 0 3 366.336 2.651 20 5 FFBDHN O=C(CCN1CCc2ccccc2[C@@H]1CO)Nc1cc([N+](=O)[O-])ccc1F ZINC000129125244 508687829 /nfs/dbraw/zinc/68/78/29/508687829.db2.gz FSKMHCMNNNVTMB-SFHVURJKSA-N 0 3 373.384 2.654 20 5 FFBDHN Cc1ccc([C@H](C)NCc2cccnc2N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000158470966 508709364 /nfs/dbraw/zinc/70/93/64/508709364.db2.gz OYJXMEIFIZOISE-INIZCTEOSA-N 0 3 369.469 2.901 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 ZINC000137527446 508759173 /nfs/dbraw/zinc/75/91/73/508759173.db2.gz AGYDHZJKODIEMD-YJBOKZPZSA-N 0 3 353.422 2.917 20 5 FFBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(C2CCCCC2)CC1 ZINC000141839265 508819398 /nfs/dbraw/zinc/81/93/98/508819398.db2.gz RBEGLOGAFCQIRS-OAHLLOKOSA-N 0 3 360.458 2.872 20 5 FFBDHN CN(C)c1cccc([C@H]2CCCN2CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000159850957 508900024 /nfs/dbraw/zinc/90/00/24/508900024.db2.gz WKIYBHGPKZGTKZ-GOSISDBHSA-N 0 3 356.426 2.660 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000119967983 508900709 /nfs/dbraw/zinc/90/07/09/508900709.db2.gz RABNTDQUBHHAAN-WBVHZDCISA-N 0 3 369.421 2.610 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CCCN(CC(C)C)C1 ZINC000120209269 508950685 /nfs/dbraw/zinc/95/06/85/508950685.db2.gz QZSGHVJNBOFYCJ-OAHLLOKOSA-N 0 3 369.487 2.550 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000151076655 508951697 /nfs/dbraw/zinc/95/16/97/508951697.db2.gz AWQIHBSYDSONDT-UHFFFAOYSA-N 0 3 361.398 2.709 20 5 FFBDHN CC[C@@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000162104595 509172438 /nfs/dbraw/zinc/17/24/38/509172438.db2.gz CHBMZGUAZOZEQK-CQSZACIVSA-N 0 3 369.468 2.676 20 5 FFBDHN C[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1COc2ccccc21 ZINC000185595030 509255821 /nfs/dbraw/zinc/25/58/21/509255821.db2.gz MCGDLCQBOPSQEO-GUYCJALGSA-N 0 3 367.405 2.638 20 5 FFBDHN COc1ccc(CNC2CCC(O)(c3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000185703933 509313262 /nfs/dbraw/zinc/31/32/62/509313262.db2.gz HIZOZKPRAQPALW-UHFFFAOYSA-N 0 3 357.410 2.918 20 5 FFBDHN O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[C@H](N2CCCC2)C1 ZINC000182662589 509357594 /nfs/dbraw/zinc/35/75/94/509357594.db2.gz HAAURVAEZRYMRC-NSHDSACASA-N 0 3 368.231 2.668 20 5 FFBDHN O=[N+]([O-])c1cccc(CNC[C@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000192357632 509479538 /nfs/dbraw/zinc/47/95/38/509479538.db2.gz FWPNEMPFRIDJBM-FQEVSTJZSA-N 0 3 355.438 2.976 20 5 FFBDHN Cc1nn(CCC(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000236763891 509500133 /nfs/dbraw/zinc/50/01/33/509500133.db2.gz PKNAXQCFLOIJBM-QGZVFWFLSA-N 0 3 373.457 2.738 20 5 FFBDHN O=C1CCCN1C[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000179557955 509510240 /nfs/dbraw/zinc/51/02/40/509510240.db2.gz IRIZWMSNVHNZEM-RBUKOAKNSA-N 0 3 369.421 2.582 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000248898500 509536375 /nfs/dbraw/zinc/53/63/75/509536375.db2.gz UEKGQFYWMCULRP-CXAGYDPISA-N 0 3 357.385 2.984 20 5 FFBDHN CN(C)[C@H](CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000237022925 509553392 /nfs/dbraw/zinc/55/33/92/509553392.db2.gz XCPWXXAQSALLRN-QGZVFWFLSA-N 0 3 369.425 2.981 20 5 FFBDHN CN(CCCN1CCN(C)CC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000264655050 509626655 /nfs/dbraw/zinc/62/66/55/509626655.db2.gz PSYZUEYLUCJBHF-UHFFFAOYSA-N 0 3 360.380 2.687 20 5 FFBDHN C[C@H]1CCCN(CCCCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000189681385 509700363 /nfs/dbraw/zinc/70/03/63/509700363.db2.gz PKMZWDXRBAQODC-AWEZNQCLSA-N 0 3 369.487 2.922 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@@H]3CN3CCCC3)n2)c1 ZINC000170695220 509727949 /nfs/dbraw/zinc/72/79/49/509727949.db2.gz DUVFSOJXHTYOOP-MRXNPFEDSA-N 0 3 357.414 2.705 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CN1C1CC1 ZINC000268045687 509734030 /nfs/dbraw/zinc/73/40/30/509734030.db2.gz ZKIQKUSCJINTAH-GXSJLCMTSA-N 0 3 368.231 2.712 20 5 FFBDHN COc1ccc(CN2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000249817390 509768422 /nfs/dbraw/zinc/76/84/22/509768422.db2.gz LNBTWUQUIWXTQT-YQQAZPJKSA-N 0 3 363.458 2.677 20 5 FFBDHN O=C(Nc1ccncc1[N+](=O)[O-])NC1CCN(CCc2ccccc2)CC1 ZINC000183587643 509873236 /nfs/dbraw/zinc/87/32/36/509873236.db2.gz NBIYIXDPAUGNCW-UHFFFAOYSA-N 0 3 369.425 2.818 20 5 FFBDHN Cn1cccc1[C@@H]1CCCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000245407837 509912111 /nfs/dbraw/zinc/91/21/11/509912111.db2.gz DDDWLHPUNDTHLB-APWZRJJASA-N 0 3 359.426 2.900 20 5 FFBDHN CC(C)[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1Cl ZINC000183704211 509936480 /nfs/dbraw/zinc/93/64/80/509936480.db2.gz QCRHAQLZYWQWSZ-XJKSGUPXSA-N 0 3 352.822 2.793 20 5 FFBDHN COCCCN1CCC(NC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000171148805 509968828 /nfs/dbraw/zinc/96/88/28/509968828.db2.gz VCPOPJRWUVRPTD-UHFFFAOYSA-N 0 3 350.419 2.526 20 5 FFBDHN COCCCN1CCC(NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000171149363 509970767 /nfs/dbraw/zinc/97/07/67/509970767.db2.gz TWMOJQQVNYZMHA-UHFFFAOYSA-N 0 3 370.837 2.871 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000193585067 509977748 /nfs/dbraw/zinc/97/77/48/509977748.db2.gz RUJQZKYSENXXBL-CYBMUJFWSA-N 0 3 373.413 2.535 20 5 FFBDHN Cc1c(NC(=O)[C@@H](C)N2C[C@@H](c3ccccc3)[C@H](N)C2)cccc1[N+](=O)[O-] ZINC000261673580 510020969 /nfs/dbraw/zinc/02/09/69/510020969.db2.gz HUBIZJKJNRFKGY-HYVNUMGLSA-N 0 3 368.437 2.657 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCNC[C@@H]1c1cccc(F)c1 ZINC000261764250 510053422 /nfs/dbraw/zinc/05/34/22/510053422.db2.gz OGFKQNOJSLIIOE-GOSISDBHSA-N 0 3 372.400 2.627 20 5 FFBDHN C[C@@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@H](CN)C1 ZINC000261759744 510054334 /nfs/dbraw/zinc/05/43/34/510054334.db2.gz JQJAEHONNQERKC-CVEARBPZSA-N 0 3 363.461 2.741 20 5 FFBDHN Cc1cccc(CN(CCN(C)C)C(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000171338222 510089613 /nfs/dbraw/zinc/08/96/13/510089613.db2.gz ZVJYZXZULRIBSA-UHFFFAOYSA-N 0 3 356.426 2.811 20 5 FFBDHN Cc1nn(CCC(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)c(C)c1[N+](=O)[O-] ZINC000187215905 510128851 /nfs/dbraw/zinc/12/88/51/510128851.db2.gz CFRFYXWNCRAMQM-YJYMSZOUSA-N 0 3 373.457 2.606 20 5 FFBDHN Cn1cc(CNC[C@](C)(O)c2ccco2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000174527872 510159949 /nfs/dbraw/zinc/15/99/49/510159949.db2.gz YSAVIWRNUPXWQI-SFHVURJKSA-N 0 3 356.382 2.586 20 5 FFBDHN CCO[C@H]1C[C@@](N)(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC000187283959 510170847 /nfs/dbraw/zinc/17/08/47/510170847.db2.gz PFBRCUQWVLSCED-WMLDXEAASA-N 0 3 369.849 2.739 20 5 FFBDHN COc1ccccc1[C@H]1CNCCN1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000262263858 510225122 /nfs/dbraw/zinc/22/51/22/510225122.db2.gz RPCNQFCNDWRWHY-QGZVFWFLSA-N 0 3 357.410 2.759 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000177788013 510253594 /nfs/dbraw/zinc/25/35/94/510253594.db2.gz MRLUWPJXGYKOCY-GDBMZVCRSA-N 0 3 360.458 2.842 20 5 FFBDHN CCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)c1cc2ccccc2o1 ZINC000174749422 510290331 /nfs/dbraw/zinc/29/03/31/510290331.db2.gz ZTXWGCZHPKVOAW-BBRMVZONSA-N 0 3 358.398 2.982 20 5 FFBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181385107 510385297 /nfs/dbraw/zinc/38/52/97/510385297.db2.gz NBPQDZKSBJDRPA-CYBMUJFWSA-N 0 3 371.393 2.574 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000174953672 510404315 /nfs/dbraw/zinc/40/43/15/510404315.db2.gz YOTIBZCYEWAWFF-QGZVFWFLSA-N 0 3 368.437 2.892 20 5 FFBDHN CN1CCC[C@H]1CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000194604292 510441792 /nfs/dbraw/zinc/44/17/92/510441792.db2.gz ABJSAQGGFPPUSH-INIZCTEOSA-N 0 3 369.421 2.998 20 5 FFBDHN Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N)c(OCCN(C)C)c1 ZINC000178202454 510486768 /nfs/dbraw/zinc/48/67/68/510486768.db2.gz FIYRYGJUGSGESA-UHFFFAOYSA-N 0 3 358.398 2.678 20 5 FFBDHN CN1CCC[C@H]1CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000194723298 510496519 /nfs/dbraw/zinc/49/65/19/510496519.db2.gz LUIVBYLMIYHAPD-LBPRGKRZSA-N 0 3 374.363 2.626 20 5 FFBDHN C[C@H](CS(C)(=O)=O)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000172121775 510553424 /nfs/dbraw/zinc/55/34/24/510553424.db2.gz GYPXLPAGWHQWBX-LLVKDONJSA-N 0 3 354.453 2.846 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]2c2ccccc2Cl)c1 ZINC000246702111 510625442 /nfs/dbraw/zinc/62/54/42/510625442.db2.gz JPGQVJPDOLUNSU-CJNGLKHVSA-N 0 3 350.806 2.643 20 5 FFBDHN CCC1(CC)[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@H]1OC ZINC000191373845 510627832 /nfs/dbraw/zinc/62/78/32/510627832.db2.gz LXIDLIDJOLOCQV-HZPDHXFCSA-N 0 3 365.430 2.725 20 5 FFBDHN O=[N+]([O-])c1cc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c2c(c1)COCO2 ZINC000269994374 510633117 /nfs/dbraw/zinc/63/31/17/510633117.db2.gz PXOKYTYGFFDDKX-CGTJXYLNSA-N 0 3 360.410 2.899 20 5 FFBDHN CN(Cc1ccccc1N1CCOCC1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178569896 510668396 /nfs/dbraw/zinc/66/83/96/510668396.db2.gz XEQYRUWHDIPNLG-HXUWFJFHSA-N 0 3 371.437 2.597 20 5 FFBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000246812554 510689374 /nfs/dbraw/zinc/68/93/74/510689374.db2.gz NJYNWJUTOZPPFZ-CLCXKQKWSA-N 0 3 372.469 2.871 20 5 FFBDHN CN(C(=O)CN1CC[C@@H]2[C@@H](CCCN2C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000246993748 510788282 /nfs/dbraw/zinc/78/82/82/510788282.db2.gz WNZXZSBSQSZGGJ-HNAYVOBHSA-N 0 3 372.469 2.506 20 5 FFBDHN Cc1cccc(OCCN(C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000182190933 510805505 /nfs/dbraw/zinc/80/55/05/510805505.db2.gz ZTHKRDUEMGHUST-MRXNPFEDSA-N 0 3 360.410 2.654 20 5 FFBDHN CC(=O)Nc1cccc([C@@H](C)NC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000182205329 510812724 /nfs/dbraw/zinc/81/27/24/510812724.db2.gz CMWVWFOPRVAKOI-CXAGYDPISA-N 0 3 373.409 2.644 20 5 FFBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCN(CC3CCCCC3)CC2)n1 ZINC000191782410 510829161 /nfs/dbraw/zinc/82/91/61/510829161.db2.gz SFQOPESBFIWDIU-UHFFFAOYSA-N 0 3 363.462 2.539 20 5 FFBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000247454068 510861289 /nfs/dbraw/zinc/86/12/89/510861289.db2.gz QLJYHESONXMVPU-GDBMZVCRSA-N 0 3 360.458 2.607 20 5 FFBDHN CCCN(CCN1CCCC1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000285388366 510886711 /nfs/dbraw/zinc/88/67/11/510886711.db2.gz AILGLFKATCCJJW-UHFFFAOYSA-N 0 3 359.430 2.953 20 5 FFBDHN Cc1csc2nc(CN(C)CCc3ccccc3[N+](=O)[O-])cc(=O)n12 ZINC000285440082 510907627 /nfs/dbraw/zinc/90/76/27/510907627.db2.gz XLVDCJNQIYKHTC-UHFFFAOYSA-N 0 3 358.423 2.647 20 5 FFBDHN CN1CC[C@@]2(CCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000293964412 510912208 /nfs/dbraw/zinc/91/22/08/510912208.db2.gz UCEKATJJXJMODU-MRXNPFEDSA-N 0 3 369.874 2.895 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000361035446 510984100 /nfs/dbraw/zinc/98/41/00/510984100.db2.gz ZQBGNAVEJWZFSK-IFXJQAMLSA-N 0 3 368.437 2.939 20 5 FFBDHN COC(=O)[C@H]1CC12CCN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC2 ZINC000271194618 511116402 /nfs/dbraw/zinc/11/64/02/511116402.db2.gz QWLFNAQPFSPPIQ-CYBMUJFWSA-N 0 3 370.352 2.971 20 5 FFBDHN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CC[C@H](N2CCCCC2)C1 ZINC000294716830 511153757 /nfs/dbraw/zinc/15/37/57/511153757.db2.gz UTQNQXRTURRYCX-INIZCTEOSA-N 0 3 369.425 2.685 20 5 FFBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CCC3(CCOCC3)[C@H]2O)c(Cl)c1 ZINC000282959917 511177712 /nfs/dbraw/zinc/17/77/12/511177712.db2.gz YIZAIBPPCYKJBI-CJNGLKHVSA-N 0 3 354.834 2.906 20 5 FFBDHN CN1CCC(N(Cc2ccco2)C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000298306895 511241361 /nfs/dbraw/zinc/24/13/61/511241361.db2.gz NGJKFUWFIOVPTC-UHFFFAOYSA-N 0 3 357.410 2.853 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000298443524 511286419 /nfs/dbraw/zinc/28/64/19/511286419.db2.gz ZGPRYQKXWPXMBA-ZBFHGGJFSA-N 0 3 369.368 2.909 20 5 FFBDHN CCOC(=O)[C@H](C)[C@@H](C)N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000283319750 511320129 /nfs/dbraw/zinc/32/01/29/511320129.db2.gz ZOIPDKNZJYOJNT-GMTAPVOTSA-N 0 3 371.821 2.753 20 5 FFBDHN COCCCN(C)CCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291865849 511370311 /nfs/dbraw/zinc/37/03/11/511370311.db2.gz HBHYGIXMXLJPKJ-UHFFFAOYSA-N 0 3 364.229 2.600 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC(F)(F)[C@@H](CO)C3)o2)c1 ZINC000291907058 511386675 /nfs/dbraw/zinc/38/66/75/511386675.db2.gz RPZXGUGPHHOGGM-CYBMUJFWSA-N 0 3 367.352 2.742 20 5 FFBDHN Cc1nc2ccccc2n1C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000280272724 511401804 /nfs/dbraw/zinc/40/18/04/511401804.db2.gz RFWLFLZROFYRSM-UHFFFAOYSA-N 0 3 354.414 2.787 20 5 FFBDHN CN1CC=C(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000272022804 511403806 /nfs/dbraw/zinc/40/38/06/511403806.db2.gz VNCJYXTYLHJTEO-UHFFFAOYSA-N 0 3 356.329 2.580 20 5 FFBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295845537 511533541 /nfs/dbraw/zinc/53/35/41/511533541.db2.gz WUEMOPJBRWJASL-WMLDXEAASA-N 0 3 359.426 2.643 20 5 FFBDHN CC(C)N1CCCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000292315866 511549969 /nfs/dbraw/zinc/54/99/69/511549969.db2.gz BAGHCSVVTUIPIM-ZDUSSCGKSA-N 0 3 368.865 2.991 20 5 FFBDHN CCC[C@H](C)C(=O)NCCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000292837955 511739757 /nfs/dbraw/zinc/73/97/57/511739757.db2.gz YFTKYZCVFRLEGX-AWEZNQCLSA-N 0 3 373.457 2.637 20 5 FFBDHN CCOc1ccc([C@H](C)NCCCCCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000274770179 511936775 /nfs/dbraw/zinc/93/67/75/511936775.db2.gz HEGYBBVGGMWMSJ-ZDUSSCGKSA-N 0 3 358.460 2.859 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000281880846 511999559 /nfs/dbraw/zinc/99/95/59/511999559.db2.gz GFDHKYZXBQTVLU-OLZOCXBDSA-N 0 3 350.419 2.940 20 5 FFBDHN C[C@H](NCCCS(=O)(=O)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293620843 512029908 /nfs/dbraw/zinc/02/99/08/512029908.db2.gz HBSIOTWBZZXUDC-ZDUSSCGKSA-N 0 3 363.439 2.692 20 5 FFBDHN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CCN(C2CCC2)C1 ZINC000293665009 512044539 /nfs/dbraw/zinc/04/45/39/512044539.db2.gz JTTLKJYPCWNLQV-CQSZACIVSA-N 0 3 360.458 2.607 20 5 FFBDHN C[C@@H](NCc1ccc(CS(C)(=O)=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293751990 512074078 /nfs/dbraw/zinc/07/40/78/512074078.db2.gz OGCONENWTKNHTR-GFCCVEGCSA-N 0 3 363.439 2.572 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000364404783 512106864 /nfs/dbraw/zinc/10/68/64/512106864.db2.gz PCFCPYZMRVSISL-YOEHRIQHSA-N 0 3 354.410 2.630 20 5 FFBDHN Cc1c(NC(=O)[C@H](C)N2C[C@H](N3CCCC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000375784136 512505589 /nfs/dbraw/zinc/50/55/89/512505589.db2.gz GTNLCDAHAVPPOF-VNQPRFMTSA-N 0 3 360.458 2.789 20 5 FFBDHN Cc1c([C@H](C)N[C@H]2CCN(c3ccccc3C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000376193880 512703157 /nfs/dbraw/zinc/70/31/57/512703157.db2.gz GMGZWZRCGCRMGK-GJZGRUSLSA-N 0 3 368.437 2.932 20 5 FFBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCc2c1cnn2C ZINC000374211259 512708231 /nfs/dbraw/zinc/70/82/31/512708231.db2.gz MZOSNIBJUNAPNN-HNNXBMFYSA-N 0 3 357.414 2.666 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(c2c[nH]cn2)CC1 ZINC000374211415 512708262 /nfs/dbraw/zinc/70/82/62/512708262.db2.gz KEIMZUOWMCSSQL-UHFFFAOYSA-N 0 3 357.414 2.835 20 5 FFBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)CC[C@H]1N1CCN(C)CC1 ZINC000374306568 512757061 /nfs/dbraw/zinc/75/70/61/512757061.db2.gz AVAFTHWHGXTUJC-DOTOQJQBSA-N 0 3 369.469 2.605 20 5 FFBDHN COc1ccc(NC(=O)CCN2CCSC[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000411783215 512809272 /nfs/dbraw/zinc/80/92/72/512809272.db2.gz FNAPVHFLQGCUJX-MRXNPFEDSA-N 0 3 365.455 2.759 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(c2cn[nH]c2)CC1 ZINC000376486582 512839553 /nfs/dbraw/zinc/83/95/53/512839553.db2.gz URXCJPDBYVXBOA-UHFFFAOYSA-N 0 3 373.413 2.535 20 5 FFBDHN COc1cccc([C@H]2C[C@H](C)CN2CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000378639136 512861148 /nfs/dbraw/zinc/86/11/48/512861148.db2.gz DPBGPSSFWATKAO-KBXCAEBGSA-N 0 3 357.410 2.848 20 5 FFBDHN CC[C@H]1CCCCN1CCNC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412110896 512965571 /nfs/dbraw/zinc/96/55/71/512965571.db2.gz DZWMPAYWSASLAM-ZDUSSCGKSA-N 0 3 367.421 2.666 20 5 FFBDHN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H](N2CCCC2)C1 ZINC000372616822 512971498 /nfs/dbraw/zinc/97/14/98/512971498.db2.gz FJLPECHTZNHDEG-GXTWGEPZSA-N 0 3 366.849 2.745 20 5 FFBDHN CN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC000412214342 512999469 /nfs/dbraw/zinc/99/94/69/512999469.db2.gz GHQYQPGQECJZFR-MTQWCTHYSA-N 0 3 365.433 2.912 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(CC(=O)NCCN2CCCC(C)(C)C2)c1F ZINC000412292335 513027881 /nfs/dbraw/zinc/02/78/81/513027881.db2.gz MDWAQFDYKHREFS-UHFFFAOYSA-N 0 3 367.421 2.523 20 5 FFBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000412371751 513056425 /nfs/dbraw/zinc/05/64/25/513056425.db2.gz YQOCRIFTQOZLOO-ITOHMHRPSA-N 0 3 357.454 2.887 20 5 FFBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000445904615 513144288 /nfs/dbraw/zinc/14/42/88/513144288.db2.gz RXVGSNZSQCQTAM-HUUCEWRRSA-N 0 3 360.458 2.925 20 5 FFBDHN Cc1ccc([C@@H](C)NC(=O)NCCCNCc2cccnc2)cc1[N+](=O)[O-] ZINC000417852898 513238819 /nfs/dbraw/zinc/23/88/19/513238819.db2.gz OOMYRYYCMYHGOS-OAHLLOKOSA-N 0 3 371.441 2.838 20 5 FFBDHN Cc1nc(N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC000450537588 513240445 /nfs/dbraw/zinc/24/04/45/513240445.db2.gz DZGPVLMVAWHSSJ-SJORKVTESA-N 0 3 353.426 2.652 20 5 FFBDHN Cc1c(NC(=O)[C@H](C)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000429041006 513265599 /nfs/dbraw/zinc/26/55/99/513265599.db2.gz NTDWPAFPWWLPCP-GTACMHHNSA-N 0 3 374.485 2.892 20 5 FFBDHN CCc1ccccc1[C@H](N)CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417947577 513299832 /nfs/dbraw/zinc/29/98/32/513299832.db2.gz SKQZZZUCUXQIIA-GOSISDBHSA-N 0 3 356.426 2.699 20 5 FFBDHN O=C(NC[C@@H]1CCCCN1C1CC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000434439944 513324011 /nfs/dbraw/zinc/32/40/11/513324011.db2.gz WIBOXUGNHXFZIO-HNNXBMFYSA-N 0 3 369.425 2.527 20 5 FFBDHN O=C(NC[C@@H]1CCCCN1C1CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000434444799 513324566 /nfs/dbraw/zinc/32/45/66/513324566.db2.gz FNWZILMWUMUXIT-KRWDZBQOSA-N 0 3 372.469 2.942 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000450814449 513352212 /nfs/dbraw/zinc/35/22/12/513352212.db2.gz VHTQNOLYQCKUTP-HNNXBMFYSA-N 0 3 366.425 2.596 20 5 FFBDHN O=C(c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424997534 513359730 /nfs/dbraw/zinc/35/97/30/513359730.db2.gz CGLKKXWCPWACLL-PKOBYXMFSA-N 0 3 351.406 2.941 20 5 FFBDHN Cc1c(Br)cc(C(=O)N(C)C[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000421709776 513380436 /nfs/dbraw/zinc/38/04/36/513380436.db2.gz HBFYHPWEZZAFHQ-GFCCVEGCSA-N 0 3 370.247 2.832 20 5 FFBDHN CN(C[C@H]1CCCN1C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000421709103 513380992 /nfs/dbraw/zinc/38/09/92/513380992.db2.gz CNOXTDNWQKVOHO-GFCCVEGCSA-N 0 3 356.220 2.524 20 5 FFBDHN CCNC(=O)c1ccc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447564773 513509469 /nfs/dbraw/zinc/50/94/69/513509469.db2.gz ZCNPQEKJSDOETJ-DLBZAZTESA-N 0 3 371.441 2.815 20 5 FFBDHN O=C(Nc1ccc2c(c1)CNC2)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000416005582 513534035 /nfs/dbraw/zinc/53/40/35/513534035.db2.gz ITULCOPBWQRYGK-UHFFFAOYSA-N 0 3 367.409 2.552 20 5 FFBDHN COc1cc(C(=O)NCCN2CCCC(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000451221629 513604835 /nfs/dbraw/zinc/60/48/35/513604835.db2.gz ZMSXIXCJIGTUTA-UHFFFAOYSA-N 0 3 353.394 2.594 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[C@@H](n4ccnn4)C3)o2)c1 ZINC000425521396 513619180 /nfs/dbraw/zinc/61/91/80/513619180.db2.gz ZPBJZBBPKAJBRV-MRXNPFEDSA-N 0 3 368.397 2.721 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H]1COc1ccccc1 ZINC000451310742 513668167 /nfs/dbraw/zinc/66/81/67/513668167.db2.gz GMYZLQOMHCPPQX-DLBZAZTESA-N 0 3 372.421 2.878 20 5 FFBDHN CO[C@]1(C)C[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000451482198 513778190 /nfs/dbraw/zinc/77/81/90/513778190.db2.gz CJSYFASDFFNSJB-XJKSGUPXSA-N 0 3 355.822 2.980 20 5 FFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000416462478 513783935 /nfs/dbraw/zinc/78/39/35/513783935.db2.gz QPQAACDWGBRDMG-LSDHHAIUSA-N 0 3 369.487 2.705 20 5 FFBDHN COc1ccc(NC(=O)CN[C@@H]2C[C@@H](OC(C)C)C2(C)C)c([N+](=O)[O-])c1 ZINC000451499175 513789793 /nfs/dbraw/zinc/78/97/93/513789793.db2.gz MMHVUUCCXXOWRD-HZPDHXFCSA-N 0 3 365.430 2.724 20 5 FFBDHN CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CCCCC1 ZINC000448581509 513793981 /nfs/dbraw/zinc/79/39/81/513793981.db2.gz KIZJMXRGUXYXIJ-UHFFFAOYSA-N 0 3 371.441 2.775 20 5 FFBDHN C[C@@H]1CCCCN1CCCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448590722 513798105 /nfs/dbraw/zinc/79/81/05/513798105.db2.gz DLYUMVATVORGGK-OAHLLOKOSA-N 0 3 361.442 2.938 20 5 FFBDHN COC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451588551 513850601 /nfs/dbraw/zinc/85/06/01/513850601.db2.gz QPBNSIUAGRXYMG-YPMHNXCESA-N 0 3 369.805 2.508 20 5 FFBDHN CCOC(=O)[C@@H]1CCCC[C@@H]1N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451592829 513855428 /nfs/dbraw/zinc/85/54/28/513855428.db2.gz ROUSMKSNOYDQIV-MJBXVCDLSA-N 0 3 363.414 2.633 20 5 FFBDHN C[C@H]1[C@@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCCN1C ZINC000426209176 513872634 /nfs/dbraw/zinc/87/26/34/513872634.db2.gz HNBBBWYXCAPQAC-HZMBPMFUSA-N 0 3 374.363 2.896 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)C(C)(C)CN1CCCC1 ZINC000416665910 513896494 /nfs/dbraw/zinc/89/64/94/513896494.db2.gz VOVIFNJIAPNCEJ-UHFFFAOYSA-N 0 3 369.487 2.707 20 5 FFBDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448926556 513973975 /nfs/dbraw/zinc/97/39/75/513973975.db2.gz VASZAVZBULFIOV-CQSZACIVSA-N 0 3 369.425 2.732 20 5 FFBDHN CCN(CC)[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)CC(C)C ZINC000443756075 514037868 /nfs/dbraw/zinc/03/78/68/514037868.db2.gz MCEGONIZEJPPAX-KRWDZBQOSA-N 0 3 371.503 2.771 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420601933 514197521 /nfs/dbraw/zinc/19/75/21/514197521.db2.gz AKIBCHRISHFJPG-BBRMVZONSA-N 0 3 354.410 2.626 20 5 FFBDHN CC(C)N1CC[C@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000452121272 514205574 /nfs/dbraw/zinc/20/55/74/514205574.db2.gz SGOZRZBKTKUHJG-ZDUSSCGKSA-N 0 3 354.838 2.601 20 5 FFBDHN O=C(Nc1ncc(C2CC[NH2+]CC2)s1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000423943861 514301522 /nfs/dbraw/zinc/30/15/22/514301522.db2.gz GWHQDZMOOSNXKE-UHFFFAOYSA-N 0 3 372.410 2.647 20 5 FFBDHN COC(=O)[C@H]1CN(Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000449752407 514336031 /nfs/dbraw/zinc/33/60/31/514336031.db2.gz FLCCBPCRBFGKJY-IRXDYDNUSA-N 0 3 370.405 2.992 20 5 FFBDHN Cn1ccnc1[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000449774701 514349064 /nfs/dbraw/zinc/34/90/64/514349064.db2.gz PFAULXSKNWJKOS-DOMZBBRYSA-N 0 3 350.806 2.992 20 5 FFBDHN COc1cc(C(=O)N2CCCN(C3CCCC3)CC2)c([N+](=O)[O-])cc1F ZINC000449913727 514420649 /nfs/dbraw/zinc/42/06/49/514420649.db2.gz OKYRLABAWGSELY-UHFFFAOYSA-N 0 3 365.405 2.833 20 5 FFBDHN CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC(OC(C)(C)C)C1 ZINC000420987651 514426254 /nfs/dbraw/zinc/42/62/54/514426254.db2.gz QIAVAIZMPFVLJE-ISXOHVOVSA-N 0 3 352.431 2.612 20 5 FFBDHN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000445717364 514510184 /nfs/dbraw/zinc/51/01/84/514510184.db2.gz CSZVITBXTUAUNU-GOSISDBHSA-N 0 3 353.422 2.918 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1CN(C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000475086197 514553400 /nfs/dbraw/zinc/55/34/00/514553400.db2.gz PFUHMKZNYMSHCJ-WMZOPIPTSA-N 0 3 373.432 2.738 20 5 FFBDHN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC[C@@]1(N(C)C)CCSC1 ZINC000479492881 514605342 /nfs/dbraw/zinc/60/53/42/514605342.db2.gz WTYHUXNPFRMLAR-INIZCTEOSA-N 0 3 371.434 2.760 20 5 FFBDHN COc1cc(C(=O)N[C@H](C)CN2CCCCCC2)cc([N+](=O)[O-])c1OC ZINC000479800379 514729177 /nfs/dbraw/zinc/72/91/77/514729177.db2.gz CYUYXDOAISBFLT-CYBMUJFWSA-N 0 3 365.430 2.606 20 5 FFBDHN Cc1cc(N2CCC(C)(CN3CCN(C)CC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000461953423 514803378 /nfs/dbraw/zinc/80/33/78/514803378.db2.gz DOYXSYPSOCKWOQ-UHFFFAOYSA-N 0 3 364.465 2.896 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467214552 514943204 /nfs/dbraw/zinc/94/32/04/514943204.db2.gz CXSLRMOWDWETAC-BMIGLBTASA-N 0 3 352.822 2.530 20 5 FFBDHN CN(CCNc1c2cc(Br)ccc2ncc1[N+](=O)[O-])C1CC1 ZINC000480401412 514945263 /nfs/dbraw/zinc/94/52/63/514945263.db2.gz GTEVHINRVGMMOG-UHFFFAOYSA-N 0 3 365.231 2.834 20 5 FFBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1c2c(nn1C)CCCC2 ZINC000462817192 515256681 /nfs/dbraw/zinc/25/66/81/515256681.db2.gz NAKDBBCQQUPEIU-ZDUSSCGKSA-N 0 3 371.441 2.714 20 5 FFBDHN CCOC(=O)c1ccnc(N[C@H]2CCN(CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000462950283 515312199 /nfs/dbraw/zinc/31/21/99/515312199.db2.gz ZXPKWRVULBRCIS-AWEZNQCLSA-N 0 3 362.430 2.843 20 5 FFBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000490843987 515316397 /nfs/dbraw/zinc/31/63/97/515316397.db2.gz DHANQDBRAOHAGM-INIZCTEOSA-N 0 3 369.512 2.874 20 5 FFBDHN C[C@@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC(C)CC1 ZINC000486146119 515351383 /nfs/dbraw/zinc/35/13/83/515351383.db2.gz GMKRPUFEJBUCJN-LBPRGKRZSA-N 0 3 355.385 2.652 20 5 FFBDHN COc1cc(CNCCc2nnc(C(C)C)s2)c([N+](=O)[O-])cc1O ZINC000492333145 515527622 /nfs/dbraw/zinc/52/76/22/515527622.db2.gz JFQXJEFFCHWANF-UHFFFAOYSA-N 0 3 352.416 2.616 20 5 FFBDHN O=C(N[C@H]1CCN(C2CC2)C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454644266 515635657 /nfs/dbraw/zinc/63/56/57/515635657.db2.gz OHVKKPSVJDNAMI-HOTGVXAUSA-N 0 3 358.442 2.721 20 5 FFBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000457089852 515641265 /nfs/dbraw/zinc/64/12/65/515641265.db2.gz LORTXBXYVJROKS-GFCCVEGCSA-N 0 3 357.357 2.751 20 5 FFBDHN COc1cc(CNC[C@@H]2CCC[C@@H](O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493600449 515646433 /nfs/dbraw/zinc/64/64/33/515646433.db2.gz CPUPONBGYZVQRX-DGCLKSJQSA-N 0 3 374.384 2.888 20 5 FFBDHN Cc1cc(C)c(S(=O)(=O)NCC[C@@H](C)N2CCCCC2)cc1[N+](=O)[O-] ZINC000493887030 515677195 /nfs/dbraw/zinc/67/71/95/515677195.db2.gz AFAGRCOJFMHKBN-OAHLLOKOSA-N 0 3 369.487 2.754 20 5 FFBDHN COc1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000494068634 515724506 /nfs/dbraw/zinc/72/45/06/515724506.db2.gz JAFNWAUNPSJCKU-WMLDXEAASA-N 0 3 369.421 2.996 20 5 FFBDHN C[C@@H]1[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000494070186 515726831 /nfs/dbraw/zinc/72/68/31/515726831.db2.gz VOEDGIWECGYNNV-DNVCBOLYSA-N 0 3 353.422 2.917 20 5 FFBDHN C[C@@H](NC1(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CCOCC1)c1ccccc1 ZINC000500481215 515733198 /nfs/dbraw/zinc/73/31/98/515733198.db2.gz UYDMBEHIKHAERM-CQSZACIVSA-N 0 3 372.425 2.553 20 5 FFBDHN CSC1(CNC(=O)CSc2ccccc2[N+](=O)[O-])CCN(C)CC1 ZINC000500514690 515748927 /nfs/dbraw/zinc/74/89/27/515748927.db2.gz DQJMIFXEEHGFAH-UHFFFAOYSA-N 0 3 369.512 2.631 20 5 FFBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000511095868 515779088 /nfs/dbraw/zinc/77/90/88/515779088.db2.gz XVEVWADXYLVDEF-MRXNPFEDSA-N 0 3 369.421 2.990 20 5 FFBDHN CO[C@@H]1C[C@H](NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000459777479 515799012 /nfs/dbraw/zinc/79/90/12/515799012.db2.gz VZUBWBMPGKMGSM-UONOGXRCSA-N 0 3 353.806 2.734 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NCCCN1CCc2ccccc2C1 ZINC000494600912 515893777 /nfs/dbraw/zinc/89/37/77/515893777.db2.gz WXCKUFIONFYNJV-UHFFFAOYSA-N 0 3 369.421 2.782 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000483115959 515935713 /nfs/dbraw/zinc/93/57/13/515935713.db2.gz DMXIYHUAFHIBFI-CRAIPNDOSA-N 0 3 360.385 2.963 20 5 FFBDHN CC(C)[C@H]1CN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1C ZINC000487960525 516053529 /nfs/dbraw/zinc/05/35/29/516053529.db2.gz FJIHAGQBYKWISX-XJKSGUPXSA-N 0 3 359.430 2.978 20 5 FFBDHN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000460284496 516101142 /nfs/dbraw/zinc/10/11/42/516101142.db2.gz QMMSQBNLMMLPPN-MRXNPFEDSA-N 0 3 356.430 2.546 20 5 FFBDHN C[C@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CCN1C1CCN(C)CC1 ZINC000488090917 516114878 /nfs/dbraw/zinc/11/48/78/516114878.db2.gz BNLBRDQXGVHLFU-HNNXBMFYSA-N 0 3 369.469 2.748 20 5 FFBDHN C[C@@H]1C[C@H](C)CN(C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000507275828 516150855 /nfs/dbraw/zinc/15/08/55/516150855.db2.gz DBUQWXPMBCRISQ-OKILXGFUSA-N 0 3 369.487 2.630 20 5 FFBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000470203754 516171635 /nfs/dbraw/zinc/17/16/35/516171635.db2.gz FBKSNTAYBSCNBY-WEKMIXOTSA-N 0 3 371.359 2.999 20 5 FFBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000507618705 516264199 /nfs/dbraw/zinc/26/41/99/516264199.db2.gz SXERDXXWNYOCIL-NVXWUHKLSA-N 0 3 369.421 2.925 20 5 FFBDHN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000497412341 516320814 /nfs/dbraw/zinc/32/08/14/516320814.db2.gz ZFBQZIMHDYGYCF-DOTOQJQBSA-N 0 3 364.405 2.904 20 5 FFBDHN CCN1CCC[C@@H]1CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000497481302 516323662 /nfs/dbraw/zinc/32/36/62/516323662.db2.gz HGUHMNYWDKXFDC-CQSZACIVSA-N 0 3 354.838 2.574 20 5 FFBDHN CN(c1ccccc1)c1ccc(CNC[C@H](O)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000522962505 516361281 /nfs/dbraw/zinc/36/12/81/516361281.db2.gz HIEZYVBSAVADLM-UZLBHIALSA-N 0 3 371.437 2.850 20 5 FFBDHN CCCCN1CCCC[C@H]1CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000561153975 516411311 /nfs/dbraw/zinc/41/13/11/516411311.db2.gz LUDRSZZYRSJCMM-AWEZNQCLSA-N 0 3 359.430 2.732 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](CO)c1cccc(F)c1 ZINC000543814951 516443388 /nfs/dbraw/zinc/44/33/88/516443388.db2.gz TVDIQDHPEIKJCZ-KRWDZBQOSA-N 0 3 361.373 2.694 20 5 FFBDHN COc1ccc(NC(=O)NCCN2[C@@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000543887971 516481637 /nfs/dbraw/zinc/48/16/37/516481637.db2.gz QGKMRVSPPHDOLG-STQMWFEESA-N 0 3 350.419 2.988 20 5 FFBDHN Cc1cc(C)cc(CCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000518170704 516565453 /nfs/dbraw/zinc/56/54/53/516565453.db2.gz GRYCHRHKXRBIDC-UHFFFAOYSA-N 0 3 362.451 2.818 20 5 FFBDHN NC(=O)[C@H](Cc1ccc(F)cc1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000544069794 516567647 /nfs/dbraw/zinc/56/76/47/516567647.db2.gz QLBDLDDGMVIURF-HNNXBMFYSA-N 0 3 365.792 2.616 20 5 FFBDHN COCC[C@@](C)(O)CNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000523840182 516590845 /nfs/dbraw/zinc/59/08/45/516590845.db2.gz XNHORFWVUFAMLG-GOSISDBHSA-N 0 3 364.398 2.741 20 5 FFBDHN CN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CN2CCC1CC2 ZINC000523954177 516618828 /nfs/dbraw/zinc/61/88/28/516618828.db2.gz QKJFDDFVZLSHCU-HNNXBMFYSA-N 0 3 367.833 2.570 20 5 FFBDHN Cc1cc(NC(=O)NCc2ccncc2OCCN(C)C)ccc1[N+](=O)[O-] ZINC000554756246 516623254 /nfs/dbraw/zinc/62/32/54/516623254.db2.gz PFLXJPHOZGWXOW-UHFFFAOYSA-N 0 3 373.413 2.560 20 5 FFBDHN Cc1cc(N2CCC(OCCN(C)C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000540649660 516653726 /nfs/dbraw/zinc/65/37/26/516653726.db2.gz YDZRLOVLSHWLCB-UHFFFAOYSA-N 0 3 358.442 2.998 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2N(C)CCCC2(C)C)c1 ZINC000540687077 516670124 /nfs/dbraw/zinc/67/01/24/516670124.db2.gz FIXBAPGCCAHOKN-KRWDZBQOSA-N 0 3 363.458 2.909 20 5 FFBDHN CC[C@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000513763051 516745326 /nfs/dbraw/zinc/74/53/26/516745326.db2.gz VEDNCOFEYVKDEK-AEFFLSMTSA-N 0 3 357.458 2.882 20 5 FFBDHN C[C@H](c1ccccc1)N1CCC(Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000558598247 516829036 /nfs/dbraw/zinc/82/90/36/516829036.db2.gz DNLNCUDPWSBNBD-CYBMUJFWSA-N 0 3 369.425 2.726 20 5 FFBDHN Cn1ccnc1[C@@H](NCCN1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000514090722 516858877 /nfs/dbraw/zinc/85/88/77/516858877.db2.gz WIMWUNNBEHMZQT-SFHVURJKSA-N 0 3 357.458 2.883 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000525024168 516899327 /nfs/dbraw/zinc/89/93/27/516899327.db2.gz PEYWHOFOWPWRPG-DYEKYZERSA-N 0 3 369.849 2.814 20 5 FFBDHN CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCN(C2CC2)C1 ZINC000532583157 517046270 /nfs/dbraw/zinc/04/62/70/517046270.db2.gz VFWURGRWDVZEHR-KRWDZBQOSA-N 0 3 356.426 2.961 20 5 FFBDHN CN(C)CCN(Cc1ccccn1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000541833146 517240258 /nfs/dbraw/zinc/24/02/58/517240258.db2.gz WSPBUICETOCJBW-UHFFFAOYSA-N 0 3 361.377 2.725 20 5 FFBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@@H]1[C@@H]1CCCO1 ZINC000556521444 517475805 /nfs/dbraw/zinc/47/58/05/517475805.db2.gz WVKAUKSAYNDZNK-ZBFHGGJFSA-N 0 3 361.398 2.536 20 5 FFBDHN CN1CCC[C@H](CNC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000556565020 517495052 /nfs/dbraw/zinc/49/50/52/517495052.db2.gz XSSYAYKWDJHIJV-NVXWUHKLSA-N 0 3 360.458 2.826 20 5 FFBDHN COC(=O)CC1(NCc2cc([N+](=O)[O-])cc3c2OCOC3)CCCCC1 ZINC000533526412 517506480 /nfs/dbraw/zinc/50/64/80/517506480.db2.gz CVQPTCAITKRXEY-UHFFFAOYSA-N 0 3 364.398 2.817 20 5 FFBDHN COC1CCN(C(C)(C)CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000520769904 517508451 /nfs/dbraw/zinc/50/84/51/517508451.db2.gz LXRBDSQCIAYLLA-UHFFFAOYSA-N 0 3 374.441 2.695 20 5 FFBDHN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2CNC)cc1OC ZINC000562973395 517545211 /nfs/dbraw/zinc/54/52/11/517545211.db2.gz FFUHYJIPYPDGLO-UHFFFAOYSA-N 0 3 359.382 2.974 20 5 FFBDHN C[C@H](CNC[C@H](O)COc1cccc([N+](=O)[O-])c1)Oc1ccc(F)cc1 ZINC000562993212 517566922 /nfs/dbraw/zinc/56/69/22/517566922.db2.gz AWAVUMZLMBWFEA-CJNGLKHVSA-N 0 3 364.373 2.531 20 5 FFBDHN CN1CC=C(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000538344718 517577633 /nfs/dbraw/zinc/57/76/33/517577633.db2.gz VFWWYCBXERXOIC-UHFFFAOYSA-N 0 3 358.423 2.710 20 5 FFBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533801229 517615929 /nfs/dbraw/zinc/61/59/29/517615929.db2.gz HJDRHDJEXRTGBD-HUUCEWRRSA-N 0 3 360.458 2.925 20 5 FFBDHN CN1CCC[C@@H](CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000556740397 517620715 /nfs/dbraw/zinc/62/07/15/517620715.db2.gz WXHKFOYOMDOGLK-JTQLQIEISA-N 0 3 371.235 2.821 20 5 FFBDHN CN(C)CCOc1cc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])ccn1 ZINC000521370496 517708261 /nfs/dbraw/zinc/70/82/61/517708261.db2.gz VVSPKIUYPMQHRK-KRWDZBQOSA-N 0 3 356.426 2.707 20 5 FFBDHN C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000546540139 517715919 /nfs/dbraw/zinc/71/59/19/517715919.db2.gz SRKHJYDXAPSIHT-CHWSQXEVSA-N 0 3 351.422 2.953 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H](C1CCCCC1)N(C)C ZINC000530491157 517807675 /nfs/dbraw/zinc/80/76/75/517807675.db2.gz SEZBEXGLPVYEOW-INIZCTEOSA-N 0 3 369.487 2.692 20 5 FFBDHN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000557025568 517810787 /nfs/dbraw/zinc/81/07/87/517810787.db2.gz QEFXOKMEBYVMOB-LJQANCHMSA-N 0 3 369.421 2.733 20 5 FFBDHN C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000546801183 517865709 /nfs/dbraw/zinc/86/57/09/517865709.db2.gz BYUXXTADPYHLQU-KFWWJZLASA-N 0 3 367.471 2.621 20 5 FFBDHN C[C@H](CN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)CN1CCN(C)CC1 ZINC000516871615 517885216 /nfs/dbraw/zinc/88/52/16/517885216.db2.gz CUACZVABVNMZMT-CJNGLKHVSA-N 0 3 374.407 2.671 20 5 FFBDHN Cc1ccc([C@H](CC(=O)OC(C)C)NCCn2ccc([N+](=O)[O-])n2)cc1 ZINC000543061477 517887870 /nfs/dbraw/zinc/88/78/70/517887870.db2.gz XCDSKYRGZPKYSL-INIZCTEOSA-N 0 3 360.414 2.772 20 5 FFBDHN C[C@H](CCC1CCCC1)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000539074221 517903655 /nfs/dbraw/zinc/90/36/55/517903655.db2.gz XHPDDVDBSKPRPV-CQSZACIVSA-N 0 3 369.487 2.822 20 5 FFBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000534516829 517923065 /nfs/dbraw/zinc/92/30/65/517923065.db2.gz VITWQEXIQBCVHF-CABCVRRESA-N 0 3 360.458 2.783 20 5 FFBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](CC(N)=O)c1ccccc1 ZINC000560608030 517927351 /nfs/dbraw/zinc/92/73/51/517927351.db2.gz CVTZYQFXHCEILM-CXAGYDPISA-N 0 3 370.409 2.518 20 5 FFBDHN CC[NH+](CC)C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000530712739 517935907 /nfs/dbraw/zinc/93/59/07/517935907.db2.gz LZURAQBBVDCBSL-CABCVRRESA-N 0 3 369.487 2.774 20 5 FFBDHN O=C(NC[C@@H]1NCCc2ccccc21)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000563601356 518015298 /nfs/dbraw/zinc/01/52/98/518015298.db2.gz ZFAZNHINHLLMEA-SFHVURJKSA-N 0 3 366.421 2.550 20 5 FFBDHN CC1CCC(N2CCN(C(=O)CNc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000522354765 518085739 /nfs/dbraw/zinc/08/57/39/518085739.db2.gz HHEJEXICBMQFNV-UHFFFAOYSA-N 0 3 360.458 2.730 20 5 FFBDHN COC1CCN(C(C)(C)CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000534983333 518107518 /nfs/dbraw/zinc/10/75/18/518107518.db2.gz TXHRONKCNFUEPP-UHFFFAOYSA-N 0 3 374.441 2.695 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCCC[C@H]2C2CC2)cc1 ZINC000543598025 518149178 /nfs/dbraw/zinc/14/91/78/518149178.db2.gz OYVAZHDCVGCEIH-DLBZAZTESA-N 0 3 352.456 2.927 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCCC[C@@H]2C2CC2)cc1 ZINC000543598028 518149711 /nfs/dbraw/zinc/14/97/11/518149711.db2.gz OYVAZHDCVGCEIH-SJORKVTESA-N 0 3 352.456 2.927 20 5 FFBDHN CC[NH+](CC)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000522832495 518168050 /nfs/dbraw/zinc/16/80/50/518168050.db2.gz ORCDZHFHMMUZNA-UHFFFAOYSA-N 0 3 374.397 2.668 20 5 FFBDHN C[C@@H]1C[C@@H](N(C)C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CCN1C ZINC000578569178 518269222 /nfs/dbraw/zinc/26/92/22/518269222.db2.gz MJMZNQQUDIBHSM-HIFRSBDPSA-N 0 3 373.457 2.743 20 5 FFBDHN C[C@H](C(=O)N[C@H](Cc1ccccc1)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000569778252 518284078 /nfs/dbraw/zinc/28/40/78/518284078.db2.gz DFGBIJKRRKBRHC-MAUKXSAKSA-N 0 3 355.438 2.987 20 5 FFBDHN CNC(=O)[C@H](CNCc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1C ZINC000570161067 518471074 /nfs/dbraw/zinc/47/10/74/518471074.db2.gz QDTFRXCNEMWVBL-INIZCTEOSA-N 0 3 359.401 2.737 20 5 FFBDHN CCCc1n[nH]c(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000579113621 518528534 /nfs/dbraw/zinc/52/85/34/518528534.db2.gz UACVBLCPCXKJOH-HNNXBMFYSA-N 0 3 371.441 2.617 20 5 FFBDHN CCCc1[nH]nc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000579113621 518528539 /nfs/dbraw/zinc/52/85/39/518528539.db2.gz UACVBLCPCXKJOH-HNNXBMFYSA-N 0 3 371.441 2.617 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2ccccc2OC(F)F)c1 ZINC000579209607 518575310 /nfs/dbraw/zinc/57/53/10/518575310.db2.gz SKFSIHCPLYEPLN-CQSZACIVSA-N 0 3 368.336 2.726 20 5 FFBDHN CCC[C@@H](NC[C@@H]1CCCCN1S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000579264492 518599296 /nfs/dbraw/zinc/59/92/96/518599296.db2.gz STGHUENZEXIEOM-DLBZAZTESA-N 0 3 369.487 2.840 20 5 FFBDHN CCOc1ccc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1F ZINC000573437782 518663647 /nfs/dbraw/zinc/66/36/47/518663647.db2.gz KMYJYNNIRQYTCL-CQSZACIVSA-N 0 3 364.373 2.662 20 5 FFBDHN CCCc1n[nH]c(C(=O)NC[C@@H](N[C@H](C)CC)c2ccco2)c1[N+](=O)[O-] ZINC000588766971 518825163 /nfs/dbraw/zinc/82/51/63/518825163.db2.gz RFPAZYPMKWCXKR-DGCLKSJQSA-N 0 3 363.418 2.723 20 5 FFBDHN CN(C)[C@@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)C1CCCCC1 ZINC000568354686 518994898 /nfs/dbraw/zinc/99/48/98/518994898.db2.gz LMANTAQICWOWSL-INIZCTEOSA-N 0 3 359.430 2.588 20 5 FFBDHN COc1ccc(OCCN2CCc3ccccc3[C@H]2CN)c([N+](=O)[O-])c1 ZINC000568395005 519018501 /nfs/dbraw/zinc/01/85/01/519018501.db2.gz KEZQGJKXTVRLEK-GOSISDBHSA-N 0 3 357.410 2.540 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H](c2ccccc2)[C@H]2CCCO2)c1 ZINC000580184547 519049609 /nfs/dbraw/zinc/04/96/09/519049609.db2.gz GXHKQOZHNVCVJL-RLLQIKCJSA-N 0 3 372.421 2.844 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000565778048 519127386 /nfs/dbraw/zinc/12/73/86/519127386.db2.gz NRWMANNDXLCVAH-WMLDXEAASA-N 0 3 368.437 2.817 20 5 FFBDHN COc1ccc(-c2ccc(CN3CC[C@H]4CN(C)C[C@H]43)o2)c([N+](=O)[O-])c1 ZINC000590052743 519137460 /nfs/dbraw/zinc/13/74/60/519137460.db2.gz KENXLDSQUBEHBK-SCLBCKFNSA-N 0 3 357.410 2.999 20 5 FFBDHN COc1cc(CNC[C@H]2CSc3ccccc3O2)c([N+](=O)[O-])cc1O ZINC000568749580 519195483 /nfs/dbraw/zinc/19/54/83/519195483.db2.gz QUGQGCLUJRZNOR-LBPRGKRZSA-N 0 3 362.407 2.952 20 5 FFBDHN CC[C@H](C)N[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1ccco1 ZINC000577889331 519309260 /nfs/dbraw/zinc/30/92/60/519309260.db2.gz ZDSZCHWZYAPOGB-GXFFZTMASA-N 0 3 364.377 2.768 20 5 FFBDHN COc1cccc2c1CC[C@H]2NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566115814 519311349 /nfs/dbraw/zinc/31/13/49/519311349.db2.gz SITWLDYSXKJYKD-CZUORRHYSA-N 0 3 358.394 2.620 20 5 FFBDHN CCO[C@H]1C[C@H](NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C12CCCC2 ZINC000590739521 519341409 /nfs/dbraw/zinc/34/14/09/519341409.db2.gz WAVYGNDBHZAWAH-ROUUACIJSA-N 0 3 373.453 2.811 20 5 FFBDHN CC[C@@H](C)N[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000583653866 519360235 /nfs/dbraw/zinc/36/02/35/519360235.db2.gz NZXKMVRGDLHWLE-CJNGLKHVSA-N 0 3 361.398 2.812 20 5 FFBDHN CCc1ccc(S(=O)(=O)N(C)CC[C@@H]2CCCCN2C)cc1[N+](=O)[O-] ZINC000580891097 519411960 /nfs/dbraw/zinc/41/19/60/519411960.db2.gz RVRHIITUFWVOPS-HNNXBMFYSA-N 0 3 369.487 2.652 20 5 FFBDHN Cc1cc2cc(CNC[C@@H](O)COc3ccccc3[N+](=O)[O-])ccc2[nH]1 ZINC000575054239 519475127 /nfs/dbraw/zinc/47/51/27/519475127.db2.gz WIENXMNIRQRLQE-MRXNPFEDSA-N 0 3 355.394 2.914 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])c(-c2nc(CC3=N[C@@H]4CCCC[C@@H]4N3)no2)c1 ZINC000569389965 519525162 /nfs/dbraw/zinc/52/51/62/519525162.db2.gz LOGRGKCMQYJLDW-OKILXGFUSA-N 0 3 371.397 2.899 20 5 FFBDHN CC(C)(NC(=O)Nc1cnc2c(c1)CNCC2)c1ccc([N+](=O)[O-])cc1 ZINC000591310782 519586512 /nfs/dbraw/zinc/58/65/12/519586512.db2.gz KBKVEJFRGJBORQ-UHFFFAOYSA-N 0 3 355.398 2.692 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000602847556 519924857 /nfs/dbraw/zinc/92/48/57/519924857.db2.gz WBKOAXBHGOCMNO-OAHLLOKOSA-N 0 3 366.462 2.934 20 5 FFBDHN CN(C)C1CN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000612448865 519966198 /nfs/dbraw/zinc/96/61/98/519966198.db2.gz VWWYMLZNCSQSGX-UHFFFAOYSA-N 0 3 351.204 2.656 20 5 FFBDHN COc1cncc(/C=C/CCN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC000602963320 519993988 /nfs/dbraw/zinc/99/39/88/519993988.db2.gz VICQMDZRDWPCEA-MTGFJVSHSA-N 0 3 357.410 2.899 20 5 FFBDHN CCOc1cc(C(=O)Nc2ccccc2CNC)c([N+](=O)[O-])cc1OC ZINC000591681488 519997209 /nfs/dbraw/zinc/99/72/09/519997209.db2.gz PVPSEFQTWBDBIZ-UHFFFAOYSA-N 0 3 359.382 2.974 20 5 FFBDHN CC[C@H](NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000594519456 520012522 /nfs/dbraw/zinc/01/25/22/520012522.db2.gz KUSSKLBYOYQRLP-HOCLYGCPSA-N 0 3 366.414 2.584 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H]2CCN(C(C)(C)C)C2)c1C ZINC000594793070 520159715 /nfs/dbraw/zinc/15/97/15/520159715.db2.gz UETZBILHRXJKET-AWEZNQCLSA-N 0 3 369.487 2.610 20 5 FFBDHN Cc1cc(S(=O)(=O)N[C@H]2CCN(C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000594854520 520191197 /nfs/dbraw/zinc/19/11/97/520191197.db2.gz OYRJRVDCIWWSTG-AWEZNQCLSA-N 0 3 367.471 2.589 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCN1CCCC[C@H]1C ZINC000609196596 520228098 /nfs/dbraw/zinc/22/80/98/520228098.db2.gz ZRWIMUSZIXRFDF-CQSZACIVSA-N 0 3 369.487 2.700 20 5 FFBDHN C[C@H](c1ccccc1)[C@H](O)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000595001970 520251303 /nfs/dbraw/zinc/25/13/03/520251303.db2.gz YTHFWWWBNYJZRM-CXAGYDPISA-N 0 3 358.394 2.620 20 5 FFBDHN CN(CCCCN1CCCCC1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000603418260 520257555 /nfs/dbraw/zinc/25/75/55/520257555.db2.gz WZOYPBOFKPNVTQ-UHFFFAOYSA-N 0 3 369.487 2.623 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CCC[C@H]2CN(C(C)=O)C[C@H]21 ZINC000595046900 520268645 /nfs/dbraw/zinc/26/86/45/520268645.db2.gz CXHFOYVBTDUUCW-MZTNWIODSA-N 0 3 361.442 2.901 20 5 FFBDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000609310212 520270531 /nfs/dbraw/zinc/27/05/31/520270531.db2.gz XIHMFEWEPXZRJV-INIZCTEOSA-N 0 3 372.469 2.942 20 5 FFBDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000597859318 520286177 /nfs/dbraw/zinc/28/61/77/520286177.db2.gz UKJNVFLEUNDRQU-NSHDSACASA-N 0 3 370.247 2.960 20 5 FFBDHN CC(C)(C)N1CC[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000597925879 520326120 /nfs/dbraw/zinc/32/61/20/520326120.db2.gz XPVVBJRJTDAJIZ-NSHDSACASA-N 0 3 370.247 2.960 20 5 FFBDHN CCN(C(=O)c1cc([N+](=O)[O-])cc(Br)c1C)[C@@H]1CCN(C)C1 ZINC000597945056 520344325 /nfs/dbraw/zinc/34/43/25/520344325.db2.gz HFPXRLXJPWASII-LLVKDONJSA-N 0 3 370.247 2.832 20 5 FFBDHN CCN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000597945596 520344431 /nfs/dbraw/zinc/34/44/31/520344431.db2.gz JKZIBDDBMDKMEW-CYBMUJFWSA-N 0 3 355.822 2.570 20 5 FFBDHN CCOc1ccc([C@@H](C)NCC(C)(C)[C@@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000592398153 520367857 /nfs/dbraw/zinc/36/78/57/520367857.db2.gz QBFGKQYFQKUEMI-FZKQIMNGSA-N 0 3 352.431 2.822 20 5 FFBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000595257943 520376082 /nfs/dbraw/zinc/37/60/82/520376082.db2.gz OXTUYDLZJDNARE-KRWDZBQOSA-N 0 3 373.434 2.987 20 5 FFBDHN NCc1cccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000592445123 520393465 /nfs/dbraw/zinc/39/34/65/520393465.db2.gz KBMRBVZACLJUOU-UHFFFAOYSA-N 0 3 354.410 2.909 20 5 FFBDHN Cc1c(CN2CCC(C(N)=O)(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000609672638 520400858 /nfs/dbraw/zinc/40/08/58/520400858.db2.gz NQXWPXRZNCNLGB-UHFFFAOYSA-N 0 3 353.422 2.922 20 5 FFBDHN NC[C@@H]1c2ccccc2CCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000592567670 520457799 /nfs/dbraw/zinc/45/77/99/520457799.db2.gz VIHYTJMCFVGSOW-QGZVFWFLSA-N 0 3 357.435 2.772 20 5 FFBDHN CCOC(=O)c1ccnc(NCCN2CCCC[C@H]2CC)c1[N+](=O)[O-] ZINC000609963710 520492133 /nfs/dbraw/zinc/49/21/33/520492133.db2.gz HVQZWASCAOEMCD-CYBMUJFWSA-N 0 3 350.419 2.843 20 5 FFBDHN COc1cc(C(=O)N[C@@H](C)CN2CCC(C)CC2)c([N+](=O)[O-])cc1F ZINC000598261867 520526201 /nfs/dbraw/zinc/52/62/01/520526201.db2.gz HHSUBKCPEYWTQB-LBPRGKRZSA-N 0 3 353.394 2.593 20 5 FFBDHN Cc1ccc(CN[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1[N+](=O)[O-] ZINC000610090251 520534825 /nfs/dbraw/zinc/53/48/25/520534825.db2.gz YSFCZMQGCPYWAQ-VQTJNVASSA-N 0 3 369.465 2.876 20 5 FFBDHN Cc1n[nH]c(C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000610200269 520576590 /nfs/dbraw/zinc/57/65/90/520576590.db2.gz WOBIBWXIASNXCM-NHYWBVRUSA-N 0 3 363.443 2.501 20 5 FFBDHN COc1ccc(-c2ccc(CNCC[C@@H](O)C(F)F)o2)c([N+](=O)[O-])c1 ZINC000601147546 520660270 /nfs/dbraw/zinc/66/02/70/520660270.db2.gz RCWDJGHXESZTLR-CQSZACIVSA-N 0 3 356.325 2.969 20 5 FFBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000593012741 520683930 /nfs/dbraw/zinc/68/39/30/520683930.db2.gz YIGAHXAHLDCRKY-QGZVFWFLSA-N 0 3 357.385 2.667 20 5 FFBDHN Cn1cc(C[C@@H]2CCC[C@H]2NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cn1 ZINC000595767239 520709929 /nfs/dbraw/zinc/70/99/29/520709929.db2.gz AVVDPCNJAXHVPA-DZGCQCFKSA-N 0 3 354.414 2.706 20 5 FFBDHN CCCN1CCC(CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)CC1 ZINC000598599245 520735349 /nfs/dbraw/zinc/73/53/49/520735349.db2.gz BCBVUBKASFFLBA-UHFFFAOYSA-N 0 3 369.487 2.612 20 5 FFBDHN COC(=O)c1ccnc(N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000598627704 520752106 /nfs/dbraw/zinc/75/21/06/520752106.db2.gz XQUMAXHIDPYDHV-XJKSGUPXSA-N 0 3 370.409 2.851 20 5 FFBDHN NC(=O)c1cc(N[C@H]2CCCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000596079653 520899343 /nfs/dbraw/zinc/89/93/43/520899343.db2.gz VBXNHWIODBTYRA-INIZCTEOSA-N 0 3 354.410 2.770 20 5 FFBDHN C[C@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)CC[C@@H]1N1CCN(C)CC1 ZINC000593463961 521009803 /nfs/dbraw/zinc/00/98/03/521009803.db2.gz ALAQFNRJUXZWMV-KXBFYZLASA-N 0 3 369.469 2.605 20 5 FFBDHN Cc1cc(NCCC2(CS(C)(=O)=O)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000596315667 521024889 /nfs/dbraw/zinc/02/48/89/521024889.db2.gz FATNWRVUOYHKAC-UHFFFAOYSA-N 0 3 363.439 2.500 20 5 FFBDHN Cc1ccc([C@H](C)NC[C@H]2CN(Cc3ccncc3)CCO2)cc1[N+](=O)[O-] ZINC000599086954 521025171 /nfs/dbraw/zinc/02/51/71/521025171.db2.gz CXTKXNATZUHIOF-LPHOPBHVSA-N 0 3 370.453 2.850 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCO[C@H](C(F)F)CC1 ZINC000601971651 521048157 /nfs/dbraw/zinc/04/81/57/521048157.db2.gz DHMWTDXJNWNXMZ-AWEZNQCLSA-N 0 3 357.357 2.588 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccnc(OCCN(C)C)c1 ZINC000602232345 521224496 /nfs/dbraw/zinc/22/44/96/521224496.db2.gz RRAOIOZOUYLPFL-UHFFFAOYSA-N 0 3 358.398 2.799 20 5 FFBDHN C[C@@H]1COCCN1C1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593990929 521333625 /nfs/dbraw/zinc/33/36/25/521333625.db2.gz QICQLCJDWQJKPH-MRXNPFEDSA-N 0 3 363.458 2.549 20 5 FFBDHN CN(C)C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC000599628989 521342830 /nfs/dbraw/zinc/34/28/30/521342830.db2.gz WKYKXLUZOSUFMX-OAHLLOKOSA-N 0 3 372.256 2.991 20 5 FFBDHN CC1(C)[C@@H](c2cccc(F)c2)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599629781 521342881 /nfs/dbraw/zinc/34/28/81/521342881.db2.gz MHPFWEWUHGKZAV-DLBZAZTESA-N 0 3 362.405 2.559 20 5 FFBDHN CCC1(N2CCOCC2)CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000599670640 521385108 /nfs/dbraw/zinc/38/51/08/521385108.db2.gz XZTHAKJAYUQKQG-UHFFFAOYSA-N 0 3 351.422 2.811 20 5 FFBDHN O=[N+]([O-])c1sc(CN[C@H]2CCc3n[nH]cc3C2)cc1Br ZINC000602552669 521407245 /nfs/dbraw/zinc/40/72/45/521407245.db2.gz OZAWKWQUKICSEK-QMMMGPOBSA-N 0 3 357.233 2.789 20 5 FFBDHN Cn1nc(C(=O)OC(C)(C)C)cc1CNCCc1ccccc1[N+](=O)[O-] ZINC000602556975 521409017 /nfs/dbraw/zinc/40/90/17/521409017.db2.gz HQKWFUTVRJTCSK-UHFFFAOYSA-N 0 3 360.414 2.616 20 5 FFBDHN Cc1cccn2cc(CNC3CCN(c4ccc([N+](=O)[O-])nc4)CC3)nc12 ZINC000602593631 521429614 /nfs/dbraw/zinc/42/96/14/521429614.db2.gz LXECWVZFEJQOMA-UHFFFAOYSA-N 0 3 366.425 2.705 20 5 FFBDHN COc1cnccc1[C@H](C)NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602626160 521443524 /nfs/dbraw/zinc/44/35/24/521443524.db2.gz JFBVQQIEOZOVMZ-ZDUSSCGKSA-N 0 3 357.414 2.713 20 5 FFBDHN CN1CCN(CCNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1(C)C ZINC000602653090 521459033 /nfs/dbraw/zinc/45/90/33/521459033.db2.gz ARRRIZSWGJCNOC-UHFFFAOYSA-N 0 3 374.407 2.729 20 5 FFBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000594198967 521464186 /nfs/dbraw/zinc/46/41/86/521464186.db2.gz WQICGJKXWJUHKM-ZIAGYGMSSA-N 0 3 369.368 2.943 20 5 FFBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000594198700 521464521 /nfs/dbraw/zinc/46/45/21/521464521.db2.gz VCPGVBPGRAHVAS-HOTGVXAUSA-N 0 3 369.425 2.527 20 5 FFBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN[C@H]1CCCN(CCCO)C1 ZINC000602675884 521474562 /nfs/dbraw/zinc/47/45/62/521474562.db2.gz WPBRABFSADBYKG-AWEZNQCLSA-N 0 3 361.364 2.550 20 5 FFBDHN C[C@@H]1C[C@H](N(C)C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CCN1C ZINC000597103914 521509771 /nfs/dbraw/zinc/50/97/71/521509771.db2.gz MQUMWIRNVRHAFU-MWLCHTKSSA-N 0 3 355.826 2.777 20 5 FFBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@H]1CCCc2c1cnn2CCO ZINC000615720637 521510966 /nfs/dbraw/zinc/51/09/66/521510966.db2.gz ZSPPAZDICIGKBJ-BLSFAOBESA-N 0 3 356.426 2.854 20 5 FFBDHN COC(=O)[C@@H]1OCC[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000597194019 521567986 /nfs/dbraw/zinc/56/79/86/521567986.db2.gz YFHXSCDDWWBXHA-GOEBONIOSA-N 0 3 362.407 2.743 20 5 FFBDHN O=C1CC[C@H]2CN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC[C@H]2N1 ZINC000597207818 521575404 /nfs/dbraw/zinc/57/54/04/521575404.db2.gz VTRRKYDXDPBJHP-WMLDXEAASA-N 0 3 355.394 2.955 20 5 FFBDHN CCOC(=O)[C@]1(C)CCC[C@H]1NCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000597241607 521592159 /nfs/dbraw/zinc/59/21/59/521592159.db2.gz UJZDPXKSQFEMID-SJLPKXTDSA-N 0 3 366.414 2.824 20 5 FFBDHN CC(C)N1CCCC[C@H]1CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000619863437 521909788 /nfs/dbraw/zinc/90/97/88/521909788.db2.gz FUDKKTIACPVLER-QFBILLFUSA-N 0 3 374.441 2.625 20 5 FFBDHN C[C@H](NCCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000820419213 599382452 /nfs/dbraw/zinc/38/24/52/599382452.db2.gz FTIQUQRVZJTKQZ-LBPRGKRZSA-N 0 3 354.370 2.505 20 5 FFBDHN C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@H]1c1ccccc1 ZINC000826028545 607967810 /nfs/dbraw/zinc/96/78/10/607967810.db2.gz CBLQFYPAKILVJE-IAGOWNOFSA-N 0 3 365.397 2.632 20 5 FFBDHN C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@H]1c1ccccc1 ZINC000826028545 607967811 /nfs/dbraw/zinc/96/78/11/607967811.db2.gz CBLQFYPAKILVJE-IAGOWNOFSA-N 0 3 365.397 2.632 20 5 FFBDHN C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@H]1c1ccccc1 ZINC000826028545 607967812 /nfs/dbraw/zinc/96/78/12/607967812.db2.gz CBLQFYPAKILVJE-IAGOWNOFSA-N 0 3 365.397 2.632 20 5 FFBDHN C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@H]1c1ccccc1 ZINC000826028545 607967813 /nfs/dbraw/zinc/96/78/13/607967813.db2.gz CBLQFYPAKILVJE-IAGOWNOFSA-N 0 3 365.397 2.632 20 5 FFBDHN CCN1CCN([C@H](C)CNc2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856723592 730350133 /nfs/dbraw/zinc/35/01/33/730350133.db2.gz YCSRDQTYLGPWRL-GFCCVEGCSA-N 0 3 371.279 2.795 20 5 FFBDHN COC1CCN(C(C)(C)CNC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000859274274 730448025 /nfs/dbraw/zinc/44/80/25/730448025.db2.gz ZWIJLRYIPSRRET-UHFFFAOYSA-N 0 3 369.849 2.867 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@H]2CCN2C2CCCC2)c1F ZINC000863031911 730744531 /nfs/dbraw/zinc/74/45/31/730744531.db2.gz KFQRFIALFMFYKP-GFCCVEGCSA-N 0 3 353.369 2.928 20 5 FFBDHN CN(C)CCN(Cc1cccs1)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000866438130 731060276 /nfs/dbraw/zinc/06/02/76/731060276.db2.gz BXJARUUDSYVULF-UHFFFAOYSA-N 0 3 365.430 2.928 20 5 FFBDHN C[C@@H](OC(=O)C1CC[C@H](C(F)(F)F)NC1=O)c1ccccc1[N+](=O)[O-] ZINC000873578710 731937463 /nfs/dbraw/zinc/93/74/63/731937463.db2.gz KWHFVYPOTOZOSQ-HLUHBDAQSA-N 0 3 360.288 2.656 20 5 FFBDHN CC(C)(O)CN1CC[C@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000877665175 732408615 /nfs/dbraw/zinc/40/86/15/732408615.db2.gz KIGQBBOLSRYIEJ-LBPRGKRZSA-N 0 3 362.257 2.836 20 5 FFBDHN O=C(CN[C@@H]1CCC[C@]12CCCO2)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000880505356 732915631 /nfs/dbraw/zinc/91/56/31/732915631.db2.gz BKWSDGGTSWADMZ-ZBFHGGJFSA-N 0 3 353.806 2.878 20 5 FFBDHN CN(C)CC(C)(C)CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000731905339 734704515 /nfs/dbraw/zinc/70/45/15/734704515.db2.gz ADLHZZBZKDYCBC-UHFFFAOYSA-N 0 3 365.402 2.591 20 5 FFBDHN C[S@@](=O)CCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000735085275 734928366 /nfs/dbraw/zinc/92/83/66/734928366.db2.gz OJHXPWUVGZUVIY-XMMPIXPASA-N 0 3 352.387 2.994 20 5 FFBDHN NC(=O)[C@]1(c2ccccc2)CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000894999358 734949911 /nfs/dbraw/zinc/94/99/11/734949911.db2.gz BOTZPBLYVLGAHA-GOSISDBHSA-N 0 3 359.813 2.877 20 5 FFBDHN O=C1N(CCNCc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]2CCCCN12 ZINC000895344198 734993595 /nfs/dbraw/zinc/99/35/95/734993595.db2.gz UZOFVLWMWZBXMC-ZDUSSCGKSA-N 0 3 352.822 2.628 20 5 FFBDHN Cn1nnc2c1C[C@@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])CC2 ZINC000897347484 735223113 /nfs/dbraw/zinc/22/31/13/735223113.db2.gz NRYMPZHPIDKLFH-JTQLQIEISA-N 0 3 356.213 2.677 20 5 FFBDHN C[C@@H]1CN(CCCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000754613910 736179861 /nfs/dbraw/zinc/17/98/61/736179861.db2.gz KQDJJGADFFBKSS-BETUJISGSA-N 0 3 352.391 2.804 20 5 FFBDHN O=[N+]([O-])c1cc(Br)ccc1CNC[C@@H](O)CC(F)(F)F ZINC000905428028 736339712 /nfs/dbraw/zinc/33/97/12/736339712.db2.gz QGLJTCKMTUZRFJ-VIFPVBQESA-N 0 3 357.126 2.760 20 5 FFBDHN CCN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H](C)C1 ZINC000910282409 737052519 /nfs/dbraw/zinc/05/25/19/737052519.db2.gz PCAQPEOYBYQZQO-LLVKDONJSA-N 0 3 370.247 2.914 20 5 FFBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCCCC1 ZINC000778638031 738400371 /nfs/dbraw/zinc/40/03/71/738400371.db2.gz QAIKYWQBJISQTP-LLVKDONJSA-N 0 3 357.357 2.800 20 5 FFBDHN C[C@@]1(NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCO[C@H]1C1CC1 ZINC000784586963 738905794 /nfs/dbraw/zinc/90/57/94/738905794.db2.gz BSQBXMCJWVXGLZ-JKSUJKDBSA-N 0 3 353.806 2.734 20 5 FFBDHN CC(C)N1CCN(CCCOC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000791868187 739611049 /nfs/dbraw/zinc/61/10/49/739611049.db2.gz AKAROCPJGQORIR-UHFFFAOYSA-N 0 3 369.849 2.821 20 5 FFBDHN Cc1ccc(NC[C@@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])c1Br ZINC000804397635 740868992 /nfs/dbraw/zinc/86/89/92/740868992.db2.gz ZXWNVOBOFGMAEE-NWDGAFQWSA-N 0 3 370.247 2.941 20 5 FFBDHN C[C@H](CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])CN1CCOCC1 ZINC000811481431 741527934 /nfs/dbraw/zinc/52/79/34/741527934.db2.gz BBAFIILPFHCCCV-LLVKDONJSA-N 0 3 362.257 2.960 20 5 FFBDHN CC(COC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1)[N+](=O)[O-] ZINC000813102573 741676950 /nfs/dbraw/zinc/67/69/50/741676950.db2.gz SGAZZABFWAPPEX-MRVPVSSYSA-N 0 3 350.249 2.619 20 5 FFBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])nn1-c1ccc(Br)cc1 ZINC000813100097 741677010 /nfs/dbraw/zinc/67/70/10/741677010.db2.gz MGSZZEYGKXFTKR-JTQLQIEISA-N 0 3 368.187 2.765 20 5 FFBDHN CC(COC(=O)c1ccc(Cl)c(I)c1)[N+](=O)[O-] ZINC000813104028 741677544 /nfs/dbraw/zinc/67/75/44/741677544.db2.gz WIYINWVCIVYOEN-ZCFIWIBFSA-N 0 3 369.542 2.767 20 5 FFBDHN CC(COC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)[N+](=O)[O-] ZINC000813110241 741677882 /nfs/dbraw/zinc/67/78/82/741677882.db2.gz VKAHXPXRXVEDIX-WCBMZHEXSA-N 0 3 361.181 2.555 20 5 FFBDHN CN(C)CCN(Cc1cccs1)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823980252 743006538 /nfs/dbraw/zinc/00/65/38/743006538.db2.gz JTTZLAGUFWGLQJ-UHFFFAOYSA-N 0 3 363.443 2.834 20 5 FFBDHN CS[C@H]1CN(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000836779642 746304470 /nfs/dbraw/zinc/30/44/70/746304470.db2.gz ICDCPQXLMVTKIQ-KGLIPLIRSA-N 0 3 357.863 2.674 20 5 FFBDHN COc1ccc(NC(=O)C[C@H](N)c2cc(C)nc(Cl)c2)cc1[N+](=O)[O-] ZINC000843486622 747844087 /nfs/dbraw/zinc/84/40/87/747844087.db2.gz XMKAOVRAZXMCKK-LBPRGKRZSA-N 0 3 364.789 2.989 20 5 FFBDHN COCc1nc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cs1 ZINC000845878086 748342855 /nfs/dbraw/zinc/34/28/55/748342855.db2.gz TVPSCMNCTLGBMA-XPTSAGLGSA-N 0 3 354.359 2.992 20 5 FFBDHN COc1ccccc1N1CC[C@H](NCc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000893111401 970610872 /nfs/dbraw/zinc/61/08/72/970610872.db2.gz RUVZZQCZEQYLMC-AWEZNQCLSA-N 0 3 373.409 2.686 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2csc(N3CC[C@@H]4[C@H]3CCCN4CCO)n2)cc1 ZINC000897219825 973456976 /nfs/dbraw/zinc/45/69/76/973456976.db2.gz OSXYDZICGXNUBY-IAGOWNOFSA-N 0 3 374.466 2.754 20 5 FFBDHN Cc1noc(C[C@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)n1 ZINC000759932895 975338822 /nfs/dbraw/zinc/33/88/22/975338822.db2.gz XHUJPIPRCBUHRC-ZWKOTPCHSA-N 0 3 368.393 2.893 20 5 FFBDHN CONC(=O)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000877786572 1014728666 /nfs/dbraw/zinc/72/86/66/1014728666.db2.gz OMROAKMIPMGWMC-UHFFFAOYSA-N 0 3 359.382 2.744 20 5 FFBDHN CC(=Cc1cccc([N+](=O)[O-])c1)CN1CCC(CN2CCNC2=O)CC1 ZINC000897582699 982330605 /nfs/dbraw/zinc/33/06/05/982330605.db2.gz HHWXQQIWQGVJEW-PTNGSMBKSA-N 0 3 358.442 2.735 20 5 FFBDHN Nc1ccc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000030231920 982706314 /nfs/dbraw/zinc/70/63/14/982706314.db2.gz QCGRKWLUWXEPEF-KRWDZBQOSA-N 0 3 354.410 2.744 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000130496197 990164144 /nfs/dbraw/zinc/16/41/44/990164144.db2.gz RQHHCUBFEMVIRU-MRXNPFEDSA-N 0 3 369.469 2.901 20 5 FFBDHN CN1CC[C@@H]2CN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)C[C@@H]2C1 ZINC000812322520 995405475 /nfs/dbraw/zinc/40/54/75/995405475.db2.gz IUCFXTSVDHGKHZ-CVEARBPZSA-N 0 3 361.445 2.705 20 5 FFBDHN C[C@H](CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000823994013 996773859 /nfs/dbraw/zinc/77/38/59/996773859.db2.gz NBMYQENUGKWEOB-CYBMUJFWSA-N 0 3 357.414 2.819 20 5 FFBDHN Nc1ccc(NC(=O)NCCCN2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000824002720 996775335 /nfs/dbraw/zinc/77/53/35/996775335.db2.gz FYGYNOXWHPLXRQ-UHFFFAOYSA-N 0 3 369.425 2.747 20 5 FFBDHN COc1ccc(C2CCN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000844351329 997820374 /nfs/dbraw/zinc/82/03/74/997820374.db2.gz NIMRDXUBHVEKTE-LJQANCHMSA-N 0 3 357.410 2.911 20 5 FFBDHN COc1cc2c(cc1CNC[C@H](O)c1ccc([N+](=O)[O-])cc1)O[C@H](C)C2 ZINC000731678715 998143622 /nfs/dbraw/zinc/14/36/22/998143622.db2.gz ONTXIOMBXRQUCY-PXAZEXFGSA-N 0 3 358.394 2.750 20 5 FFBDHN CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)[C@@H]1CCN(C2CC2)C1 ZINC000732166296 998497455 /nfs/dbraw/zinc/49/74/55/998497455.db2.gz NRMHEVQSESECQZ-MRXNPFEDSA-N 0 3 358.442 2.504 20 5 FFBDHN CC(C)(C)N1CC[C@@H]1COC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000845735435 998641997 /nfs/dbraw/zinc/64/19/97/998641997.db2.gz XKSWZXMXBVWZNW-CYBMUJFWSA-N 0 3 358.398 2.810 20 5 FFBDHN O=[N+]([O-])c1ccnn1CN1CCN(CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000732670862 998738805 /nfs/dbraw/zinc/73/88/05/998738805.db2.gz MTSVFLGTHHVGOB-UHFFFAOYSA-N 0 3 373.501 2.973 20 5 FFBDHN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000741255621 999716881 /nfs/dbraw/zinc/71/68/81/999716881.db2.gz HOUHEVLPMAGQGA-UZLBHIALSA-N 0 3 355.438 2.974 20 5 FFBDHN O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116135891 1032147622 /nfs/dbraw/zinc/14/76/22/1032147622.db2.gz OBDZMMVZGPMGCD-QGZVFWFLSA-N 0 3 366.421 2.744 20 5 FFBDHN COc1ccc(C[C@@H](C)N2CC[C@@H](Oc3ncncc3C)C2)c([N+](=O)[O-])c1 ZINC001170355007 1003122346 /nfs/dbraw/zinc/12/23/46/1003122346.db2.gz UIAJYXLOWWALAS-RHSMWYFYSA-N 0 3 372.425 2.786 20 5 FFBDHN COc1ccc(C[C@H](C)N2CCC(N3CC(F)(F)C3)CC2)c([N+](=O)[O-])c1 ZINC001170346628 1003134214 /nfs/dbraw/zinc/13/42/14/1003134214.db2.gz OWCLOHDQVXTLBJ-ZDUSSCGKSA-N 0 3 369.412 2.950 20 5 FFBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(O)(Cc3ccc(F)cc3)CC2)cc1 ZINC000775742401 1003936258 /nfs/dbraw/zinc/93/62/58/1003936258.db2.gz SYLLOESJQKMBQD-LJQANCHMSA-N 0 3 374.412 2.837 20 5 FFBDHN COC(=O)[C@H](C)[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000776591435 1006006606 /nfs/dbraw/zinc/00/66/06/1006006606.db2.gz MHOGRPMFEABMCZ-XWIAVFTESA-N 0 3 358.394 2.768 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCCN(Cc3ccccc3)CCOCC2)cn1 ZINC001187740111 1006227484 /nfs/dbraw/zinc/22/74/84/1006227484.db2.gz YKJCIESSDVYHBN-UHFFFAOYSA-N 0 3 356.426 2.719 20 5 FFBDHN Cc1cccc(C)c1OC[C@H](O)CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815565624 1006686284 /nfs/dbraw/zinc/68/62/84/1006686284.db2.gz VIVFPYIFZJFEDW-GOEBONIOSA-N 0 3 359.426 2.884 20 5 FFBDHN Cc1c(C(=O)NCc2ccccc2CN(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000009917235 1007067510 /nfs/dbraw/zinc/06/75/10/1007067510.db2.gz CYXUHJNUHOMZIV-UHFFFAOYSA-N 0 3 372.381 2.803 20 5 FFBDHN CCc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2N)N(C)C)cc1 ZINC001135928785 1007611953 /nfs/dbraw/zinc/61/19/53/1007611953.db2.gz DJYDQVGHXUCUOS-GOSISDBHSA-N 0 3 356.426 2.772 20 5 FFBDHN O=C1[C@@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)CCCN1C1CCCCC1 ZINC000819253527 1008070922 /nfs/dbraw/zinc/07/09/22/1008070922.db2.gz GNJAKCKZQWNLFQ-ROUUACIJSA-N 0 3 361.442 2.542 20 5 FFBDHN CSc1ccc([C@@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000819336879 1008101444 /nfs/dbraw/zinc/10/14/44/1008101444.db2.gz XGAGHPJFGXBBKS-QGZVFWFLSA-N 0 3 374.466 2.932 20 5 FFBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001136409076 1008407381 /nfs/dbraw/zinc/40/73/81/1008407381.db2.gz IOZTWRRHNUFPHM-UKRRQHHQSA-N 0 3 354.410 2.742 20 5 FFBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859222809 1008489857 /nfs/dbraw/zinc/48/98/57/1008489857.db2.gz MZHDIKIADOQORM-QGZVFWFLSA-N 0 3 371.437 2.931 20 5 FFBDHN CN(C)Cc1ccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])cc1C(F)(F)F ZINC001177616347 1008681153 /nfs/dbraw/zinc/68/11/53/1008681153.db2.gz PZTBFNPSKOCTMT-UHFFFAOYSA-N 0 3 357.292 2.651 20 5 FFBDHN Cc1cccc2c1C[C@H](C(=O)OCC(C)[N+](=O)[O-])N2C(=O)OC(C)(C)C ZINC000860776266 1009148178 /nfs/dbraw/zinc/14/81/78/1009148178.db2.gz DDWWSIDGAWUMNX-SWLSCSKDSA-N 0 3 364.398 2.870 20 5 FFBDHN CCCN(C(=O)c1n[nH]cc1[N+](=O)[O-])C1CCN(Cc2ccccc2)CC1 ZINC000889489372 1009990548 /nfs/dbraw/zinc/99/05/48/1009990548.db2.gz HGLQTEIVJYHKEJ-UHFFFAOYSA-N 0 3 371.441 2.835 20 5 FFBDHN COc1ccc(CN(C)C)cc1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000864847427 1010597841 /nfs/dbraw/zinc/59/78/41/1010597841.db2.gz QJQVQOFWWAXSGO-UHFFFAOYSA-N 0 3 361.373 2.985 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccnc(-n3cncn3)c1)CCC2 ZINC000866433031 1010994226 /nfs/dbraw/zinc/99/42/26/1010994226.db2.gz HEWZOZWBFMAHCT-KRWDZBQOSA-N 0 3 350.382 2.738 20 5 FFBDHN O=C1NCCN1Cc1ccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000866577429 1011019501 /nfs/dbraw/zinc/01/95/01/1011019501.db2.gz OOHKYNHCUCJVMM-GOSISDBHSA-N 0 3 366.421 2.897 20 5 FFBDHN CN(C)C[C@@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])c2ccccc2O1 ZINC000866620324 1011024151 /nfs/dbraw/zinc/02/41/51/1011024151.db2.gz KNZBHGJIMDEOMP-CQSZACIVSA-N 0 3 373.384 2.632 20 5 FFBDHN CNc1c(C(=O)Nc2ccc(CN(C)C)cc2OC)cccc1[N+](=O)[O-] ZINC000868815462 1011490592 /nfs/dbraw/zinc/49/05/92/1011490592.db2.gz AWVNPGRDZSSMBP-UHFFFAOYSA-N 0 3 358.398 2.959 20 5 FFBDHN C[C@H](NC1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)c1cnccn1 ZINC001173006898 1012177228 /nfs/dbraw/zinc/17/72/28/1012177228.db2.gz CLKJWWVEMLOKFN-NSHDSACASA-N 0 3 363.368 2.983 20 5 FFBDHN Cn1nnc2c1C[C@H](N[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)CC2 ZINC000927148637 1018381020 /nfs/dbraw/zinc/38/10/20/1018381020.db2.gz XHTBEVVLDCKWLS-UZLBHIALSA-N 0 3 363.421 2.960 20 5 FFBDHN O=C1OCC[C@H]1CCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000828807697 1032845803 /nfs/dbraw/zinc/84/58/03/1032845803.db2.gz PXOYYCUQBCHNDH-DJIMGWMZSA-N 0 3 362.426 2.654 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000931495362 1020490574 /nfs/dbraw/zinc/49/05/74/1020490574.db2.gz JMBBWADDUAYGRP-MRXNPFEDSA-N 0 3 362.430 2.532 20 5 FFBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@@H](CO)c2ccccc2C(F)(F)F)cc1 ZINC000933241347 1020982859 /nfs/dbraw/zinc/98/28/59/1020982859.db2.gz KRAQNBJWGNIDHV-JKSUJKDBSA-N 0 3 370.327 2.970 20 5 FFBDHN COc1cccc(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000192752143 1024264984 /nfs/dbraw/zinc/26/49/84/1024264984.db2.gz ZEINMMLMDHDSRH-GDBMZVCRSA-N 0 3 369.421 2.996 20 5 FFBDHN O=[N+]([O-])c1ccc2oc(CO[C@H]3CC[C@H](N4CCOCC4)CC3)nc2c1 ZINC001222929158 1033207635 /nfs/dbraw/zinc/20/76/35/1033207635.db2.gz LQQZCHJWNQZHPW-CTYIDZIISA-N 0 3 361.398 2.896 20 5 FFBDHN NCc1ccc2c(n1)N(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])CCC2 ZINC001158649012 1027083560 /nfs/dbraw/zinc/08/35/60/1027083560.db2.gz IIJTZSMEZHJLHT-UHFFFAOYSA-N 0 3 355.185 2.630 20 5 FFBDHN CN(CCCN(C)Cn1ncc2ccc([N+](=O)[O-])cc21)Cc1ccco1 ZINC000795754544 1028094866 /nfs/dbraw/zinc/09/48/66/1028094866.db2.gz WRZJDLZIGOEYNX-UHFFFAOYSA-N 0 3 357.414 2.949 20 5 FFBDHN O=[N+]([O-])c1cc(C(F)(F)NC[C@@H]2Cc3ccccc3CN2)cnc1Cl ZINC001163269905 1028865607 /nfs/dbraw/zinc/86/56/07/1028865607.db2.gz HPCHBJLOGMSGCI-ZDUSSCGKSA-N 0 3 368.771 2.997 20 5 FFBDHN CCOC(=O)c1ccnc(N2CCN(C3CCCC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC001164145998 1029184794 /nfs/dbraw/zinc/18/47/94/1029184794.db2.gz LNTCBVAYDNVDNT-ZDUSSCGKSA-N 0 3 362.430 2.620 20 5 FFBDHN CCN1C[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC001156837487 1029371211 /nfs/dbraw/zinc/37/12/11/1029371211.db2.gz UXNDLPMTOWWNAL-OAHLLOKOSA-N 0 3 351.422 2.858 20 5 FFBDHN Cc1ccc(-c2nc3sccc3c(-n3nncc3CN)n2)cc1[N+](=O)[O-] ZINC001158428259 1029826721 /nfs/dbraw/zinc/82/67/21/1029826721.db2.gz UDTMISFFXVEPFW-UHFFFAOYSA-N 0 3 367.394 2.614 20 5 FFBDHN Cc1cc(NC[C@@H](O)COc2cccc(F)c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000782947151 1029860392 /nfs/dbraw/zinc/86/03/92/1029860392.db2.gz COZWSISWWOATFX-OAHLLOKOSA-N 0 3 371.368 2.864 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](c1nc(-c3ccc4c(n3)CCNC4)no1)N=N2 ZINC001204998946 1031484275 /nfs/dbraw/zinc/48/42/75/1031484275.db2.gz PIWPNNGQHUXCND-HNNXBMFYSA-N 0 3 363.337 2.872 20 5 FFBDHN CCCNC(=O)[C@H]1CCCCN1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479315 1040744262 /nfs/dbraw/zinc/74/42/62/1040744262.db2.gz XJRXIDSVZYXSAE-LJQANCHMSA-N 0 3 374.485 2.944 20 5 FFBDHN Cc1cncnc1O[C@H]1CCCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612418 1040841509 /nfs/dbraw/zinc/84/15/09/1040841509.db2.gz WEDBVAWMABQSAQ-ROUUACIJSA-N 0 3 354.410 2.704 20 5 FFBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H](CO)CC2CCOCC2)c1 ZINC001320934976 1045497549 /nfs/dbraw/zinc/49/75/49/1045497549.db2.gz NARVXHRFUBSAPG-ZDUSSCGKSA-N 0 3 374.384 2.711 20 5 FFBDHN N[C@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CCCCC1 ZINC001326304929 1046863697 /nfs/dbraw/zinc/86/36/97/1046863697.db2.gz BMJVOGWJUWPHFV-SFHVURJKSA-N 0 3 361.442 2.872 20 5 FFBDHN C[C@]1(CO)C[C@@H](O)CN1Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001332718781 1048525623 /nfs/dbraw/zinc/52/56/23/1048525623.db2.gz USSKWYINLXSSGM-SJKOYZFVSA-N 0 3 366.801 2.826 20 5 FFBDHN O=C(c1cccc([N+](=O)[O-])c1)N1C[C@H](C[C@H]2COCCN2)c2ccccc21 ZINC001342875886 1051485006 /nfs/dbraw/zinc/48/50/06/1051485006.db2.gz OXFVDYBTSXVXIW-HOTGVXAUSA-N 0 3 367.405 2.717 20 5 FFBDHN CCN1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C(C)(C)C1 ZINC001304042379 1051511409 /nfs/dbraw/zinc/51/14/09/1051511409.db2.gz HUJMBKPGDYLARE-ZDUSSCGKSA-N 0 3 357.357 2.656 20 5 FFBDHN COC1CCN(CCNC(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)CC1 ZINC001344854894 1052069584 /nfs/dbraw/zinc/06/95/84/1052069584.db2.gz SKNABHHTCUOWSB-UHFFFAOYSA-N 0 3 372.425 2.980 20 5 FFBDHN O=C1COc2ccccc2N1CCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001343301125 1052147318 /nfs/dbraw/zinc/14/73/18/1052147318.db2.gz SGVUIHSWKCFTGP-UHFFFAOYSA-N 0 3 361.785 2.763 20 5 FFBDHN COCCN1CCCN(c2c3cc(Cl)ccc3ncc2[N+](=O)[O-])CC1 ZINC001306930493 1052223460 /nfs/dbraw/zinc/22/34/60/1052223460.db2.gz AGQUBBVZIYGJMX-UHFFFAOYSA-N 0 3 364.833 2.955 20 5 FFBDHN CN1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001339267980 1052255251 /nfs/dbraw/zinc/25/52/51/1052255251.db2.gz YQYXDNUOEKBUTE-NSHDSACASA-N 0 3 356.220 2.571 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(Cc2nc([C@@H]3C[C@@H]3C)no2)CC1 ZINC001307907543 1052365771 /nfs/dbraw/zinc/36/57/71/1052365771.db2.gz LNODCXIUDUUNCR-SWLSCSKDSA-N 0 3 374.445 2.561 20 5 FFBDHN C[C@@H](COC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCCCC1 ZINC000847958185 1058518751 /nfs/dbraw/zinc/51/87/51/1058518751.db2.gz FJDMNUPLNVFWDI-AWEZNQCLSA-N 0 3 358.398 2.812 20 5 FFBDHN Cc1c(C(=O)OC[C@H](C)N2CCCCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000847960289 1058522357 /nfs/dbraw/zinc/52/23/57/1058522357.db2.gz LBJFSAHMABOKDI-ZDUSSCGKSA-N 0 3 373.413 2.515 20 5 FFBDHN Cc1c(-c2nnc(N3CCN(C(C)(C)C)CC3)n2C)cccc1[N+](=O)[O-] ZINC001355398949 1060206110 /nfs/dbraw/zinc/20/61/10/1060206110.db2.gz VASRRLNQKXIRRV-UHFFFAOYSA-N 0 3 358.446 2.619 20 5 FFBDHN CCC(C)(C)N1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000848761403 1060624097 /nfs/dbraw/zinc/62/40/97/1060624097.db2.gz SWVHDNUZISTASM-UHFFFAOYSA-N 0 3 362.430 2.862 20 5 FFBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCCC[C@@H]2N2CCOCC2)c(Cl)c1 ZINC001459961339 1060858350 /nfs/dbraw/zinc/85/83/50/1060858350.db2.gz IMVJVDWVZOFOQT-IRXDYDNUSA-N 0 3 353.850 2.981 20 5 FFBDHN CCC(CC)[C@H](CNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C)N(C)C ZINC001475200697 1060994803 /nfs/dbraw/zinc/99/48/03/1060994803.db2.gz LCPGMEKCPOAACS-INIZCTEOSA-N 0 3 371.503 2.856 20 5 FFBDHN COC(=O)[C@@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC001473819672 1065376883 /nfs/dbraw/zinc/37/68/83/1065376883.db2.gz MBZUSTOVTACWEY-ZIAGYGMSSA-N 0 3 363.414 2.505 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)n1 ZINC001556897479 1075787115 /nfs/dbraw/zinc/78/71/15/1075787115.db2.gz LYDAPZQLQGEOOV-PBHICJAKSA-N 0 3 354.410 2.691 20 5 FFBDHN COC(=O)C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C ZINC001560172590 1076241488 /nfs/dbraw/zinc/24/14/88/1076241488.db2.gz ATAMCZLCEQMBST-CYBMUJFWSA-N 0 3 371.821 2.754 20 5 FFBDHN Cc1ccc(CN2CC[C@@H](NC(=O)Cc3ccccc3[N+](=O)[O-])C2)cc1 ZINC001587795322 1079866103 /nfs/dbraw/zinc/86/61/03/1079866103.db2.gz FGKZMJAHMYIQIS-GOSISDBHSA-N 0 3 353.422 2.836 20 5 FFBDHN CCN(CCNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)C(C)C ZINC000444175445 514144479 /nfs/dbraw/zinc/14/44/79/514144479.db2.gz KBHKGAIUDGDUGV-UHFFFAOYSA-N 0 3 363.867 2.565 20 5 FFBDHN O=C(COc1ccccc1[N+](=O)[O-])NC1CCN(Cc2ccccc2)CC1 ZINC000010450889 249315540 /nfs/dbraw/zinc/31/55/40/249315540.db2.gz BXYXHCGTQWYAHY-UHFFFAOYSA-N 0 3 369.421 2.754 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000093065047 250015061 /nfs/dbraw/zinc/01/50/61/250015061.db2.gz NEHPMVSDJIUXQM-UHFFFAOYSA-N 0 3 354.410 2.945 20 5 FFBDHN COc1cc(CN2CC[C@H](CO)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000092764793 250000705 /nfs/dbraw/zinc/00/07/05/250000705.db2.gz LSVBOGYFPZYKIF-KRWDZBQOSA-N 0 3 372.421 2.997 20 5 FFBDHN CN(C)C(=O)C1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000104662623 250181803 /nfs/dbraw/zinc/18/18/03/250181803.db2.gz VFTAFANHRUGJER-UHFFFAOYSA-N 0 3 372.425 2.593 20 5 FFBDHN CN(C(=O)c1c(N)cccc1[N+](=O)[O-])C1CCN(Cc2ccccc2)CC1 ZINC000181081259 251238255 /nfs/dbraw/zinc/23/82/55/251238255.db2.gz VTQYZUTYSMDIOF-UHFFFAOYSA-N 0 3 368.437 2.914 20 5 FFBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000272425330 252034380 /nfs/dbraw/zinc/03/43/80/252034380.db2.gz CARKBRLVZRYJET-LRDDRELGSA-N 0 3 366.849 2.874 20 5 FFBDHN CC[C@@H](CCO)CNCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272465535 252046306 /nfs/dbraw/zinc/04/63/06/252046306.db2.gz RCZLCBDLPDXCCF-NSHDSACASA-N 0 3 362.373 2.746 20 5 FFBDHN C[C@@H]1CCCCN1CCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272527030 252059658 /nfs/dbraw/zinc/05/96/58/252059658.db2.gz MGGNGMVKISUEHY-QAPCUYQASA-N 0 3 357.458 2.882 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc1C ZINC000273520800 252323244 /nfs/dbraw/zinc/32/32/44/252323244.db2.gz NZNBNWNSXBDWHF-AWEZNQCLSA-N 0 3 369.487 2.562 20 5 FFBDHN COC(=O)c1cc(NC(=O)C2CCN(C3CC3)CC2)c(C)c([N+](=O)[O-])c1 ZINC000278837877 256352957 /nfs/dbraw/zinc/35/29/57/256352957.db2.gz RCYHUACSNHMGQW-UHFFFAOYSA-N 0 3 361.398 2.503 20 5 FFBDHN CCN(CC)CCN(CC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000071894783 221386266 /nfs/dbraw/zinc/38/62/66/221386266.db2.gz UNBQXFJFXGJITA-UHFFFAOYSA-N 0 3 371.503 2.892 20 5 FFBDHN COc1ccc([C@H](CN(C)C)NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000285994001 257014959 /nfs/dbraw/zinc/01/49/59/257014959.db2.gz IGBOJPQFCPNHIX-SFHVURJKSA-N 0 3 357.410 2.565 20 5 FFBDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000286285101 257029214 /nfs/dbraw/zinc/02/92/14/257029214.db2.gz IJZDKMSTEYKOKN-CJNGLKHVSA-N 0 3 358.442 2.550 20 5 FFBDHN CCn1c(C)nc([N+](=O)[O-])c1N(C)C1CCN(CCc2ccccn2)CC1 ZINC000288251907 257165967 /nfs/dbraw/zinc/16/59/67/257165967.db2.gz XUMHIZWAHCDNGJ-UHFFFAOYSA-N 0 3 372.473 2.658 20 5 FFBDHN COc1ccc(C[C@](C)(O)CNCc2csc([N+](=O)[O-])c2)cc1OC ZINC000289883349 257304614 /nfs/dbraw/zinc/30/46/14/257304614.db2.gz SATWQKWTWMCCRB-KRWDZBQOSA-N 0 3 366.439 2.757 20 5 FFBDHN CCN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCOC(C)(C)C1 ZINC000290014166 257311292 /nfs/dbraw/zinc/31/12/92/257311292.db2.gz ZXOKCXJAAHXRQY-INIZCTEOSA-N 0 3 361.442 2.763 20 5 FFBDHN CC(C)S(=O)(=O)CCN[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000290520164 257338469 /nfs/dbraw/zinc/33/84/69/257338469.db2.gz YXQDMBXEUVIRID-GOEBONIOSA-N 0 3 354.472 2.719 20 5 FFBDHN NC(=O)c1ccnc(NC[C@H]2CCCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000290542344 257340076 /nfs/dbraw/zinc/34/00/76/257340076.db2.gz INRMIIRZZOFURD-OAHLLOKOSA-N 0 3 369.425 2.555 20 5 FFBDHN Cc1ccc([C@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])N2CCCC2)cc1 ZINC000290672182 257351929 /nfs/dbraw/zinc/35/19/29/257351929.db2.gz RHXQDOHPLMVYTI-INIZCTEOSA-N 0 3 369.425 2.646 20 5 FFBDHN CCCN1CCC(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000302139462 258090293 /nfs/dbraw/zinc/09/02/93/258090293.db2.gz FBPDMLAXIKXUMG-UHFFFAOYSA-N 0 3 361.489 2.594 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302151067 258091026 /nfs/dbraw/zinc/09/10/26/258091026.db2.gz BOIIIVQNUUNRFL-DZGCQCFKSA-N 0 3 352.398 2.570 20 5 FFBDHN Cc1cccc(N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000302506969 258104204 /nfs/dbraw/zinc/10/42/04/258104204.db2.gz QTWFQQWNJUXLAJ-FQEVSTJZSA-N 0 3 355.438 2.976 20 5 FFBDHN CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCN1C[C@@H](C)O ZINC000301428787 258049555 /nfs/dbraw/zinc/04/95/55/258049555.db2.gz FEGREVFYOMLCKL-VXGBXAGGSA-N 0 3 361.364 2.895 20 5 FFBDHN CNC(=O)c1ccc(N[C@@H]2CCN(C)[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000301835353 258069773 /nfs/dbraw/zinc/06/97/73/258069773.db2.gz LCRKVZYVRVKOEX-AEFFLSMTSA-N 0 3 354.410 2.812 20 5 FFBDHN CC(C)C1CCC(N2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)CC2)CC1 ZINC000301961541 258078282 /nfs/dbraw/zinc/07/82/82/258078282.db2.gz MRROFSBEDYWSDN-UHFFFAOYSA-N 0 3 372.473 2.974 20 5 FFBDHN CCN1C[C@@H](C)N(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000330554591 258165423 /nfs/dbraw/zinc/16/54/23/258165423.db2.gz GIDZHFJTJWHNGW-NWDGAFQWSA-N 0 3 354.838 2.601 20 5 FFBDHN CC(C)c1n[nH]c(C(=O)N[C@H](C)CN2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000331212507 258179831 /nfs/dbraw/zinc/17/98/31/258179831.db2.gz KFKYEFNLAOQMJN-FRRDWIJNSA-N 0 3 351.451 2.538 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H]2CCCCN2C[C@@H]1C ZINC000332007020 258209622 /nfs/dbraw/zinc/20/96/22/258209622.db2.gz JJQONTLPJIUVJF-RDJZCZTQSA-N 0 3 360.458 2.790 20 5 FFBDHN CCc1ccc(C(=O)N2C[C@@H](SC)[C@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000332080885 258212939 /nfs/dbraw/zinc/21/29/39/258212939.db2.gz KRJNBONUVZTIQY-IAGOWNOFSA-N 0 3 363.483 2.809 20 5 FFBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000064960352 506246566 /nfs/dbraw/zinc/24/65/66/506246566.db2.gz UIRVHUMDEPEKHC-ZDUSSCGKSA-N 0 3 369.487 2.692 20 5 FFBDHN CN(CCCNC(=O)COc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000032766055 506291918 /nfs/dbraw/zinc/29/19/18/506291918.db2.gz SZIPXUPOTJKVDY-UHFFFAOYSA-N 0 3 357.410 2.612 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CN1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000375320298 512266091 /nfs/dbraw/zinc/26/60/91/512266091.db2.gz QCEKJHQHWPVUJM-LJQANCHMSA-N 0 3 353.378 2.699 20 5 FFBDHN CN1CCC(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000054678379 506603235 /nfs/dbraw/zinc/60/32/35/506603235.db2.gz GFCYZESMURWCJW-UHFFFAOYSA-N 0 3 374.363 2.626 20 5 FFBDHN CCN(CC)[C@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000067275223 506812957 /nfs/dbraw/zinc/81/29/57/506812957.db2.gz XUWUHWSXFUTYOI-OAHLLOKOSA-N 0 3 371.397 2.877 20 5 FFBDHN C[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)N1CCC(C)CC1 ZINC000067273144 506812996 /nfs/dbraw/zinc/81/29/96/506812996.db2.gz GYZJFZPKFZDLIU-CQSZACIVSA-N 0 3 351.472 2.924 20 5 FFBDHN CC(C)(C)CCN1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000055934250 506891658 /nfs/dbraw/zinc/89/16/58/506891658.db2.gz GFDPJRSXOSIKQK-UHFFFAOYSA-N 0 3 374.485 2.538 20 5 FFBDHN COc1ccc(CC(=O)Nc2ccc(OCCN(C)C)cc2)cc1[N+](=O)[O-] ZINC000067816407 507018044 /nfs/dbraw/zinc/01/80/44/507018044.db2.gz FQLOAFWLTYUMSK-UHFFFAOYSA-N 0 3 373.409 2.725 20 5 FFBDHN CCc1ccc([C@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000015129049 507022283 /nfs/dbraw/zinc/02/22/83/507022283.db2.gz OUPHSDDEKKDLNG-SFHVURJKSA-N 0 3 356.426 2.971 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000056519608 507036518 /nfs/dbraw/zinc/03/65/18/507036518.db2.gz ZNYXUAWRUPAZGT-QWHCGFSZSA-N 0 3 350.419 2.845 20 5 FFBDHN C[C@H](CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)N(C)C ZINC000068064322 507096833 /nfs/dbraw/zinc/09/68/33/507096833.db2.gz MXQLFATVYPIDJO-ZIAGYGMSSA-N 0 3 371.441 2.843 20 5 FFBDHN CN(C)CCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000056890143 507116352 /nfs/dbraw/zinc/11/63/52/507116352.db2.gz MYJBAZDTQAQOOB-UHFFFAOYSA-N 0 3 361.373 2.604 20 5 FFBDHN CC1CCN(c2ccc(C(=O)N(C)C3CCN(C)CC3)cc2[N+](=O)[O-])CC1 ZINC000068192781 507144869 /nfs/dbraw/zinc/14/48/69/507144869.db2.gz QQUNVERHCNQVRC-UHFFFAOYSA-N 0 3 374.485 2.997 20 5 FFBDHN O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000373419702 512321661 /nfs/dbraw/zinc/32/16/61/512321661.db2.gz WRZIOMUFRMAETB-UHFFFAOYSA-N 0 3 372.347 2.525 20 5 FFBDHN C[C@@H](NC(C)(C)CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000068387687 507212698 /nfs/dbraw/zinc/21/26/98/507212698.db2.gz TWLAMTSJOJAONQ-CQSZACIVSA-N 0 3 373.457 2.772 20 5 FFBDHN CCC[C@H](C)NC(=O)C(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000048717172 507555079 /nfs/dbraw/zinc/55/50/79/507555079.db2.gz CVJXUJIKUNPDTI-WCQYABFASA-N 0 3 356.444 2.511 20 5 FFBDHN CN(C)[C@@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])c1cccs1 ZINC000029186094 507767980 /nfs/dbraw/zinc/76/79/80/507767980.db2.gz SBRRFXCHRMLLBK-AWEZNQCLSA-N 0 3 359.411 2.608 20 5 FFBDHN Cc1cc(C(=O)NCC2(N3CCSCC3)CCCC2)ccc1[N+](=O)[O-] ZINC000031960581 507822521 /nfs/dbraw/zinc/82/25/21/507822521.db2.gz ZENDRKIYEUDAPZ-UHFFFAOYSA-N 0 3 363.483 2.995 20 5 FFBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCc3ccc4c(c3)CCO4)C2)nc1 ZINC000072665288 507840438 /nfs/dbraw/zinc/84/04/38/507840438.db2.gz NKDZEGWFHSGXHX-INIZCTEOSA-N 0 3 354.410 2.654 20 5 FFBDHN CNc1ccc(C(=O)N(CCN(C)C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000078429124 507870306 /nfs/dbraw/zinc/87/03/06/507870306.db2.gz NVTUGXNXOISGSW-UHFFFAOYSA-N 0 3 356.426 2.841 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(CN(C)C)c1 ZINC000079056859 507929110 /nfs/dbraw/zinc/92/91/10/507929110.db2.gz CFKDURFAYVRLFX-UHFFFAOYSA-N 0 3 358.398 2.987 20 5 FFBDHN C[C@@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC(C)CC1 ZINC000109290358 507952632 /nfs/dbraw/zinc/95/26/32/507952632.db2.gz WKMUCTXNERMDOZ-HNNXBMFYSA-N 0 3 371.441 2.631 20 5 FFBDHN C[C@@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@H](C)C1 ZINC000109291397 507953045 /nfs/dbraw/zinc/95/30/45/507953045.db2.gz OQDCHXWRUJVNLF-GJZGRUSLSA-N 0 3 371.441 2.631 20 5 FFBDHN C[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000110351213 508022030 /nfs/dbraw/zinc/02/20/30/508022030.db2.gz MJXVKFZMZHOJCA-OAHLLOKOSA-N 0 3 357.410 2.610 20 5 FFBDHN Cc1cc([N+](=O)[O-])cnc1NCCCN1CCN(Cc2ccccc2)CC1 ZINC000111178879 508075941 /nfs/dbraw/zinc/07/59/41/508075941.db2.gz XCBSYIZOOSUPLL-UHFFFAOYSA-N 0 3 369.469 2.918 20 5 FFBDHN Cc1c(NC(=O)CCN2CCC[C@H](c3ncc[nH]3)C2)cccc1[N+](=O)[O-] ZINC000080959607 508117114 /nfs/dbraw/zinc/11/71/14/508117114.db2.gz AKDWPACILQYNDU-AWEZNQCLSA-N 0 3 357.414 2.835 20 5 FFBDHN CCCc1n[nH]c(C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000081122303 508140349 /nfs/dbraw/zinc/14/03/49/508140349.db2.gz JTBQCPLUQDAFIT-OAHLLOKOSA-N 0 3 371.441 2.617 20 5 FFBDHN CCCc1[nH]nc(C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000081122303 508140350 /nfs/dbraw/zinc/14/03/50/508140350.db2.gz JTBQCPLUQDAFIT-OAHLLOKOSA-N 0 3 371.441 2.617 20 5 FFBDHN CC(=O)Nc1ccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000093534396 508148283 /nfs/dbraw/zinc/14/82/83/508148283.db2.gz DXJUBCHCGLGIGL-MRXNPFEDSA-N 0 3 355.398 2.635 20 5 FFBDHN CN(Cc1ccccc1)[C@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000081534134 508187188 /nfs/dbraw/zinc/18/71/88/508187188.db2.gz YABSQSOXKZQYKL-KRWDZBQOSA-N 0 3 368.437 2.740 20 5 FFBDHN CC1CCN([C@H](CNc2ncc([N+](=O)[O-])c(N)n2)c2cccs2)CC1 ZINC000076460117 508209283 /nfs/dbraw/zinc/20/92/83/508209283.db2.gz NUNNRWWLEQUUNG-GFCCVEGCSA-N 0 3 362.459 2.914 20 5 FFBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000076553448 508223232 /nfs/dbraw/zinc/22/32/32/508223232.db2.gz VMTAQQFQWYXACZ-GFCCVEGCSA-N 0 3 359.348 2.772 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000367204490 512384568 /nfs/dbraw/zinc/38/45/68/512384568.db2.gz DABJWLYUILPJAF-FQEVSTJZSA-N 0 3 368.437 2.940 20 5 FFBDHN C[C@@H]1CN(CCCCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000085457858 508309680 /nfs/dbraw/zinc/30/96/80/508309680.db2.gz STOVDBPNMBZSAO-CHWSQXEVSA-N 0 3 369.849 2.867 20 5 FFBDHN O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCN1Cc1ccccc1 ZINC000114642916 508333384 /nfs/dbraw/zinc/33/33/84/508333384.db2.gz RPIQEFHMGPCLLL-GOSISDBHSA-N 0 3 369.421 2.754 20 5 FFBDHN O=C(CC1(N2CCOCC2)CCCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088252146 508361498 /nfs/dbraw/zinc/36/14/98/508361498.db2.gz YTJLEGIPPNPNFA-UHFFFAOYSA-N 0 3 373.453 2.515 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000156688061 508462326 /nfs/dbraw/zinc/46/23/26/508462326.db2.gz CELXJNXCAQZVCB-LRDDRELGSA-N 0 3 372.400 2.566 20 5 FFBDHN COCCCN1CCC(NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000127605263 508475496 /nfs/dbraw/zinc/47/54/96/508475496.db2.gz VDBGSIMNZOYCBU-UHFFFAOYSA-N 0 3 364.446 2.834 20 5 FFBDHN C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CCN1C ZINC000127658561 508482894 /nfs/dbraw/zinc/48/28/94/508482894.db2.gz MNHINQYJDLCRGJ-GJZGRUSLSA-N 0 3 360.458 2.750 20 5 FFBDHN C[C@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC(C)CC1 ZINC000122370928 508524333 /nfs/dbraw/zinc/52/43/33/508524333.db2.gz NURRDTNUKRCGAW-OAHLLOKOSA-N 0 3 371.441 2.631 20 5 FFBDHN CNC(=O)C1CCN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000122531488 508549720 /nfs/dbraw/zinc/54/97/20/508549720.db2.gz HONKGRNQHKWQKX-UHFFFAOYSA-N 0 3 373.409 2.821 20 5 FFBDHN C[C@@H](CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])N(C)C1CC1 ZINC000116748329 508554123 /nfs/dbraw/zinc/55/41/23/508554123.db2.gz VDGOALYDABQWEC-NSHDSACASA-N 0 3 355.822 2.616 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000134918824 508575503 /nfs/dbraw/zinc/57/55/03/508575503.db2.gz SPTFVWARVUCHDM-HOCLYGCPSA-N 0 3 369.421 2.996 20 5 FFBDHN COc1cc(CN[C@H](C)[C@H](C)CO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000123216623 508653590 /nfs/dbraw/zinc/65/35/90/508653590.db2.gz MMDZLICPBRLMTO-NXEZZACHSA-N 0 3 366.336 2.651 20 5 FFBDHN Cc1nccn1CCCN(C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000136302991 508684945 /nfs/dbraw/zinc/68/49/45/508684945.db2.gz HUGHGXQBHCZXST-UHFFFAOYSA-N 0 3 356.386 2.672 20 5 FFBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccc(-n4ccnc4)cc3)C2)nc1 ZINC000118866041 508687694 /nfs/dbraw/zinc/68/76/94/508687694.db2.gz NTDPNJNHCNGKAK-INIZCTEOSA-N 0 3 364.409 2.862 20 5 FFBDHN C[C@@H]1CN(CCCCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000123626890 508716815 /nfs/dbraw/zinc/71/68/15/508716815.db2.gz XKUMXXYQHVMOEH-BETUJISGSA-N 0 3 369.849 2.867 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2nc(CN3CCN(C4CCOCC4)CC3)co2)cc1 ZINC000119269767 508760693 /nfs/dbraw/zinc/76/06/93/508760693.db2.gz IRLZKFHPGUNUOL-UHFFFAOYSA-N 0 3 372.425 2.546 20 5 FFBDHN Cc1sc(S(=O)(=O)[N-][C@H](CC[NH+](C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000124077134 508780294 /nfs/dbraw/zinc/78/02/94/508780294.db2.gz HVVYBGDZIHUWSY-GFCCVEGCSA-N 0 3 363.505 2.609 20 5 FFBDHN Nc1ccc(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)cc1[N+](=O)[O-] ZINC000140179078 508800684 /nfs/dbraw/zinc/80/06/84/508800684.db2.gz KKXPBZHBGLVALX-CYBMUJFWSA-N 0 3 374.466 2.881 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](OCC(C)C)C1 ZINC000119874305 508881424 /nfs/dbraw/zinc/88/14/24/508881424.db2.gz JEULZMRYLIHUQN-HNNXBMFYSA-N 0 3 365.430 2.679 20 5 FFBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCNCc1cccnc1 ZINC000120794459 509065746 /nfs/dbraw/zinc/06/57/46/509065746.db2.gz PGBWBUNZQONXGB-AWEZNQCLSA-N 0 3 374.466 2.767 20 5 FFBDHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CCCC2)C1 ZINC000120880542 509081745 /nfs/dbraw/zinc/08/17/45/509081745.db2.gz DKTZESCLBANQOU-GOSISDBHSA-N 0 3 360.458 2.797 20 5 FFBDHN Cc1ccc([C@@H](C)NC[C@@H](O)CN2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000151782581 509081959 /nfs/dbraw/zinc/08/19/59/509081959.db2.gz OAUBAUOTASBPRK-OXQOHEQNSA-N 0 3 369.465 2.973 20 5 FFBDHN C[C@H](NC[C@@H](O)CN1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000151801269 509085635 /nfs/dbraw/zinc/08/56/35/509085635.db2.gz BQPQZHQVFITUOO-MGPUTAFESA-N 0 3 355.438 2.665 20 5 FFBDHN CC[C@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000162104444 509172539 /nfs/dbraw/zinc/17/25/39/509172539.db2.gz CHBMZGUAZOZEQK-AWEZNQCLSA-N 0 3 369.468 2.676 20 5 FFBDHN C[C@@H]1CN(CC2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)C[C@@H](C)O1 ZINC000263846385 509183858 /nfs/dbraw/zinc/18/38/58/509183858.db2.gz XIIANHNCOMBFEI-HUUCEWRRSA-N 0 3 361.442 2.556 20 5 FFBDHN C[C@H]1CN(CC2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000263848897 509184480 /nfs/dbraw/zinc/18/44/80/509184480.db2.gz YDGCJQRNUDRFET-GJZGRUSLSA-N 0 3 361.442 2.556 20 5 FFBDHN CCN1CCN(Cc2ccc(CNc3ncc([N+](=O)[O-])s3)cc2)CC1 ZINC000195508956 509202789 /nfs/dbraw/zinc/20/27/89/509202789.db2.gz ZFCUPKXBBKFRDN-UHFFFAOYSA-N 0 3 361.471 2.801 20 5 FFBDHN CN1CC[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccccc1 ZINC000248029578 509219900 /nfs/dbraw/zinc/21/99/00/509219900.db2.gz KAUABHDMDALFDP-SJLPKXTDSA-N 0 3 365.393 2.646 20 5 FFBDHN C[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1COc2ccccc21 ZINC000185566484 509239984 /nfs/dbraw/zinc/23/99/84/509239984.db2.gz NMIGNNCACCKLJS-CXAGYDPISA-N 0 3 367.405 2.638 20 5 FFBDHN C[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1COc2ccccc21 ZINC000185566424 509241172 /nfs/dbraw/zinc/24/11/72/509241172.db2.gz NMIGNNCACCKLJS-GUYCJALGSA-N 0 3 367.405 2.638 20 5 FFBDHN CCN1CCC(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000264006897 509276471 /nfs/dbraw/zinc/27/64/71/509276471.db2.gz DCBYBEQOVLUKHL-UHFFFAOYSA-N 0 3 353.444 2.539 20 5 FFBDHN CN1CC[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000179132791 509279422 /nfs/dbraw/zinc/27/94/22/509279422.db2.gz RYKUPPNLPHJJEU-OALUTQOASA-N 0 3 368.437 2.882 20 5 FFBDHN CN(C)CCOc1ccc(CCNC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000264161265 509357242 /nfs/dbraw/zinc/35/72/42/509357242.db2.gz BITHGBIKSSYGHI-UHFFFAOYSA-N 0 3 363.439 2.569 20 5 FFBDHN C[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C)C1 ZINC000227817812 509414615 /nfs/dbraw/zinc/41/46/15/509414615.db2.gz PQWOJKFYCBQVLY-ZIAGYGMSSA-N 0 3 351.472 2.924 20 5 FFBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](N2CCCC2)C1 ZINC000229181543 509424188 /nfs/dbraw/zinc/42/41/88/509424188.db2.gz BNDYFRKGTIRYMI-TZMCWYRMSA-N 0 3 366.849 2.745 20 5 FFBDHN O=C1CCCN1C[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000179557920 509509838 /nfs/dbraw/zinc/50/98/38/509509838.db2.gz IRIZWMSNVHNZEM-MOPGFXCFSA-N 0 3 369.421 2.582 20 5 FFBDHN COc1cc(CNCCSC)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237146239 509581605 /nfs/dbraw/zinc/58/16/05/509581605.db2.gz JDWLHSXJKHHULG-UHFFFAOYSA-N 0 3 354.350 2.997 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1(N2CCCCC2)CCOCC1 ZINC000264668866 509635843 /nfs/dbraw/zinc/63/58/43/509635843.db2.gz AHJBBEGPSXYVBB-UHFFFAOYSA-N 0 3 361.442 2.668 20 5 FFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000249474352 509689801 /nfs/dbraw/zinc/68/98/01/509689801.db2.gz JEAYUQVOYFNGJR-LSDHHAIUSA-N 0 3 369.487 2.562 20 5 FFBDHN Cc1ccc([C@@H](C)NC(=O)NC[C@@]2(N(C)C)CCSC2)cc1[N+](=O)[O-] ZINC000267976711 509697611 /nfs/dbraw/zinc/69/76/11/509697611.db2.gz FTQJUYMJLVIGNI-DYVFJYSZSA-N 0 3 366.487 2.701 20 5 FFBDHN Cn1cc(CNCCOCC(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237785159 509734554 /nfs/dbraw/zinc/73/45/54/509734554.db2.gz AAUQWYZWCONSEX-UHFFFAOYSA-N 0 3 358.320 2.664 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000249783706 509762179 /nfs/dbraw/zinc/76/21/79/509762179.db2.gz QVWFQQUIBIJMAR-KGLIPLIRSA-N 0 3 364.446 2.523 20 5 FFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000190007474 509881449 /nfs/dbraw/zinc/88/14/49/509881449.db2.gz JEAYUQVOYFNGJR-CABCVRRESA-N 0 3 369.487 2.562 20 5 FFBDHN O=[N+]([O-])c1ccn(CCN(Cc2ccccc2)C[C@@H](O)c2ccco2)n1 ZINC000177160261 509910610 /nfs/dbraw/zinc/91/06/10/509910610.db2.gz JQWUUMHGUVGFOF-MRXNPFEDSA-N 0 3 356.382 2.620 20 5 FFBDHN Cn1cccc1[C@H]1CCCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000245407838 509910894 /nfs/dbraw/zinc/91/08/94/509910894.db2.gz DDDWLHPUNDTHLB-VQIMIIECSA-N 0 3 359.426 2.900 20 5 FFBDHN NC(=O)c1ccc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000174245893 510022441 /nfs/dbraw/zinc/02/24/41/510022441.db2.gz YVNYWJDXIQYFGI-UHFFFAOYSA-N 0 3 355.394 2.737 20 5 FFBDHN C[C@@H](CN(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000184013101 510087064 /nfs/dbraw/zinc/08/70/64/510087064.db2.gz SMGDPOUMUPCBHZ-JSGCOSHPSA-N 0 3 351.428 2.527 20 5 FFBDHN COc1ccc(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000193834339 510091339 /nfs/dbraw/zinc/09/13/39/510091339.db2.gz GCLKSJCVFYVHNG-INIZCTEOSA-N 0 3 369.421 2.855 20 5 FFBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)C2 ZINC000174679136 510247749 /nfs/dbraw/zinc/24/77/49/510247749.db2.gz RCQKTBPMJOANGZ-CMPLNLGQSA-N 0 3 368.231 2.666 20 5 FFBDHN O=[N+]([O-])c1ccc(NC[C@H](O)CN2CCCCC2)c(Br)c1 ZINC000174684399 510250312 /nfs/dbraw/zinc/25/03/12/510250312.db2.gz HCGIIJBRQVKQOH-LBPRGKRZSA-N 0 3 358.236 2.616 20 5 FFBDHN O=C(NC[C@@H]1NCCc2ccccc21)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000262375909 510260419 /nfs/dbraw/zinc/26/04/19/510260419.db2.gz MICNFZXYKZDNGT-SFHVURJKSA-N 0 3 366.421 2.786 20 5 FFBDHN Cc1ccc([C@@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)N(C)C)cc1 ZINC000181070922 510267341 /nfs/dbraw/zinc/26/73/41/510267341.db2.gz HEQUMOOZCUEINF-MRXNPFEDSA-N 0 3 371.393 2.665 20 5 FFBDHN O=[N+]([O-])c1ccc(OC2CCN(C[C@@H](O)COc3ccccc3)CC2)cc1 ZINC000174802336 510320346 /nfs/dbraw/zinc/32/03/46/510320346.db2.gz OSGHTEAUTRCOQW-QGZVFWFLSA-N 0 3 372.421 2.878 20 5 FFBDHN C[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(N2CCOC2=O)cc1 ZINC000181280588 510336480 /nfs/dbraw/zinc/33/64/80/510336480.db2.gz SDWFVTJGQQDSPW-SCLBCKFNSA-N 0 3 371.393 2.936 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000194567883 510427456 /nfs/dbraw/zinc/42/74/56/510427456.db2.gz QPURYKUEHNHMAM-UHFFFAOYSA-N 0 3 357.410 2.774 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]2Cc2ccccc2Cl)c1 ZINC000246661875 510606997 /nfs/dbraw/zinc/60/69/97/510606997.db2.gz FHTFXGAUYDKNHJ-GOEBONIOSA-N 0 3 364.833 2.513 20 5 FFBDHN CCC1(CC)[C@H](OC)C[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000191373860 510627701 /nfs/dbraw/zinc/62/77/01/510627701.db2.gz LXIDLIDJOLOCQV-JKSUJKDBSA-N 0 3 365.430 2.725 20 5 FFBDHN CC(C)C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)N(C)C ZINC000181876171 510635844 /nfs/dbraw/zinc/63/58/44/510635844.db2.gz DMVZFRAQRBSIPE-LBPRGKRZSA-N 0 3 359.373 2.902 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000246730091 510639611 /nfs/dbraw/zinc/63/96/11/510639611.db2.gz MVZOVJDKHONBLT-HZPDHXFCSA-N 0 3 350.806 2.643 20 5 FFBDHN Cc1c(NC(=O)[C@H](C)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cccc1[N+](=O)[O-] ZINC000270046928 510651490 /nfs/dbraw/zinc/65/14/90/510651490.db2.gz UBVRZXCSLRIJCX-CLROSIBMSA-N 0 3 359.426 2.777 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000185298432 510795870 /nfs/dbraw/zinc/79/58/70/510795870.db2.gz LNEGVGVUBPTELS-IBGZPJMESA-N 0 3 368.437 2.939 20 5 FFBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000270736790 510967788 /nfs/dbraw/zinc/96/77/88/510967788.db2.gz BPTONHHXDUEKQN-OAHLLOKOSA-N 0 3 362.474 2.976 20 5 FFBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCCc2nn(C)cc21 ZINC000282421198 510969777 /nfs/dbraw/zinc/96/97/77/510969777.db2.gz LTKNAZFOEWYDFV-LRDDRELGSA-N 0 3 357.414 2.713 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279313148 511042288 /nfs/dbraw/zinc/04/22/88/511042288.db2.gz OPCMKOMCYNLNJT-YMTOWFKASA-N 0 3 355.797 2.529 20 5 FFBDHN CC(=O)Nc1cccc(OCCN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000294763061 511169375 /nfs/dbraw/zinc/16/93/75/511169375.db2.gz MQIJRAIHJSQGFA-GFCCVEGCSA-N 0 3 358.398 2.865 20 5 FFBDHN C[C@H]1C[C@H](N(C)C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CCN1C ZINC000294934735 511226330 /nfs/dbraw/zinc/22/63/30/511226330.db2.gz LEVDQBITTNXWDI-SWLSCSKDSA-N 0 3 357.414 2.540 20 5 FFBDHN CC(=O)c1ccc(OC[C@H](O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000271719645 511299324 /nfs/dbraw/zinc/29/93/24/511299324.db2.gz XNLLLXVCXFTWAL-SCLBCKFNSA-N 0 3 358.394 2.888 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000365273296 511355254 /nfs/dbraw/zinc/35/52/54/511355254.db2.gz YZUINGZITVRRJY-CQSZACIVSA-N 0 3 371.393 2.573 20 5 FFBDHN CN1CC=C(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 ZINC000272027853 511406732 /nfs/dbraw/zinc/40/67/32/511406732.db2.gz WCXSDNHTGGALSA-UHFFFAOYSA-N 0 3 358.442 2.577 20 5 FFBDHN CN(CC1CCN(C)CC1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272216222 511467906 /nfs/dbraw/zinc/46/79/06/511467906.db2.gz FZPJXEYBTKDEKO-UHFFFAOYSA-N 0 3 368.865 2.774 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(c3cccc(Cl)c3)CC2)c1 ZINC000280531490 511500804 /nfs/dbraw/zinc/50/08/04/511500804.db2.gz OZUCJIJAFZHKRZ-KRWDZBQOSA-N 0 3 364.833 2.685 20 5 FFBDHN Cc1c(NC(=O)CCN2CCC[C@@H](c3nccn3C)C2)cccc1[N+](=O)[O-] ZINC000365625975 511567778 /nfs/dbraw/zinc/56/77/78/511567778.db2.gz IUUOGPVIVOMLBV-OAHLLOKOSA-N 0 3 371.441 2.845 20 5 FFBDHN COc1cc(CNC[C@@H]2CCOC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000299471042 511649386 /nfs/dbraw/zinc/64/93/86/511649386.db2.gz AQVUMMODSLPXNN-JTQLQIEISA-N 0 3 364.320 2.671 20 5 FFBDHN O=[N+]([O-])c1ccn(C2CCN(CCc3nc(-c4ccccc4)no3)CC2)n1 ZINC000365817891 511667767 /nfs/dbraw/zinc/66/77/67/511667767.db2.gz CTYQJQAGFYROQO-UHFFFAOYSA-N 0 3 368.397 2.721 20 5 FFBDHN C[C@@H](c1ccccc1)N1CCC(Nc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000301314227 511694304 /nfs/dbraw/zinc/69/43/04/511694304.db2.gz LEXVRKZCYBLABD-ZDUSSCGKSA-N 0 3 369.425 2.726 20 5 FFBDHN CN1CCC[C@@]2(CCN(c3ncc(Br)cc3[N+](=O)[O-])C2)C1 ZINC000292865947 511751343 /nfs/dbraw/zinc/75/13/43/511751343.db2.gz SQGYAHIJVDYEDZ-CQSZACIVSA-N 0 3 355.236 2.674 20 5 FFBDHN CN1C(=O)CCc2cc(CN3CCC(n4ccc([N+](=O)[O-])n4)CC3)ccc21 ZINC000366032083 511796842 /nfs/dbraw/zinc/79/68/42/511796842.db2.gz VKJNGKBLJAELDQ-UHFFFAOYSA-N 0 3 369.425 2.537 20 5 FFBDHN COC(=O)COc1ccc([C@H](C)NC[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000274417662 511827775 /nfs/dbraw/zinc/82/77/75/511827775.db2.gz DBTVUEQTIUBJBK-UGSOOPFHSA-N 0 3 374.393 2.531 20 5 FFBDHN CN(C(=O)c1ccc([N+](=O)[O-])cn1)C1CCN(Cc2ccccc2)CC1 ZINC000366140008 511863039 /nfs/dbraw/zinc/86/30/39/511863039.db2.gz FVZCJUOMVWSFSS-UHFFFAOYSA-N 0 3 354.410 2.726 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)c1 ZINC000366163368 511875990 /nfs/dbraw/zinc/87/59/90/511875990.db2.gz JYXPLVZPAYBDND-AWEZNQCLSA-N 0 3 371.393 2.573 20 5 FFBDHN C[C@H](N[C@H]1CCC[C@@H]1CCO)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000284823328 511885793 /nfs/dbraw/zinc/88/57/93/511885793.db2.gz AGOBNISPPSGBRR-WDMOLILDSA-N 0 3 355.822 2.716 20 5 FFBDHN Cc1nc(NCC2CCN(C[C@@H](O)c3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000296940176 511957996 /nfs/dbraw/zinc/95/79/96/511957996.db2.gz BPGWXJDYULSRLA-GOSISDBHSA-N 0 3 371.441 2.551 20 5 FFBDHN CCOC(=O)c1csc(CCN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000285134662 512012689 /nfs/dbraw/zinc/01/26/89/512012689.db2.gz LOYLRFPDCYRHPV-JTQLQIEISA-N 0 3 364.427 2.704 20 5 FFBDHN COc1cc(CNC[C@@H](OC)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000293635325 512034224 /nfs/dbraw/zinc/03/42/24/512034224.db2.gz LTDMRFJKCXQSEC-OAHLLOKOSA-N 0 3 360.357 2.762 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(c2ccccn2)CC1 ZINC000367834398 512682219 /nfs/dbraw/zinc/68/22/19/512682219.db2.gz WUMGVWDVRVMFFD-MRXNPFEDSA-N 0 3 357.410 2.609 20 5 FFBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000378401752 512741281 /nfs/dbraw/zinc/74/12/81/512741281.db2.gz KWAZFJRHTVOTPA-LLVKDONJSA-N 0 3 358.423 2.755 20 5 FFBDHN Cn1ncc2c1CCCN(CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000411861833 512849064 /nfs/dbraw/zinc/84/90/64/512849064.db2.gz XSEFFQZFTNAWOQ-UHFFFAOYSA-N 0 3 367.409 2.974 20 5 FFBDHN COc1ccc(OCCN2C[C@@H](O)C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000411949309 512885902 /nfs/dbraw/zinc/88/59/02/512885902.db2.gz QKBABSOVNRSZHP-DOTOQJQBSA-N 0 3 358.394 2.790 20 5 FFBDHN CNc1c(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000389892133 512903217 /nfs/dbraw/zinc/90/32/17/512903217.db2.gz WOLVNSRVWOVZMD-PBHICJAKSA-N 0 3 368.437 2.887 20 5 FFBDHN Cc1ccc([C@H](C)N[C@H]2CCN(c3ccccc3C(N)=O)C2)cc1[N+](=O)[O-] ZINC000370636645 513026387 /nfs/dbraw/zinc/02/63/87/513026387.db2.gz SAGGRCATVZYJQD-HOCLYGCPSA-N 0 3 368.437 2.932 20 5 FFBDHN CN(C(=O)CN[C@H](c1ccccc1)[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000374990126 513100305 /nfs/dbraw/zinc/10/03/05/513100305.db2.gz LSVNJUAOWYYMHH-OXQOHEQNSA-N 0 3 369.421 2.925 20 5 FFBDHN Cc1nc(NCC2(N3CCSCC3)CCCCC2)ncc1[N+](=O)[O-] ZINC000450329425 513145923 /nfs/dbraw/zinc/14/59/23/513145923.db2.gz KWSQWHRVLRKWAR-UHFFFAOYSA-N 0 3 351.476 2.857 20 5 FFBDHN CC(C)CN1CCCC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000439705432 513168870 /nfs/dbraw/zinc/16/88/70/513168870.db2.gz USHHIOYCLZAQPR-CYBMUJFWSA-N 0 3 352.410 2.556 20 5 FFBDHN Cc1ccc(NCCCNC(=O)NC[C@@H](N)c2ccccc2)c([N+](=O)[O-])c1 ZINC000417711023 513176374 /nfs/dbraw/zinc/17/63/74/513176374.db2.gz CTUDMQYXHDYIIS-MRXNPFEDSA-N 0 3 371.441 2.704 20 5 FFBDHN COc1cc(CN[C@@H]2C[C@@H]3OCCC[C@@H]23)c([N+](=O)[O-])cc1OCC(F)F ZINC000439785344 513183101 /nfs/dbraw/zinc/18/31/01/513183101.db2.gz YMOTYUNHTPAWGQ-SCRDCRAPSA-N 0 3 372.368 2.904 20 5 FFBDHN C[C@@H](CO)N1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000450473251 513210611 /nfs/dbraw/zinc/21/06/11/513210611.db2.gz HCESENCPFFJIIK-ZDUSSCGKSA-N 0 3 362.455 2.611 20 5 FFBDHN CCCN1C[C@H](CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CC1=O ZINC000421355042 513232825 /nfs/dbraw/zinc/23/28/25/513232825.db2.gz TUEZGCWATMAHTQ-NSHDSACASA-N 0 3 357.357 2.544 20 5 FFBDHN CCc1cc(NC(=O)C23CCCN2CCC3)c2cc([N+](=O)[O-])ccc2n1 ZINC000415404306 513243097 /nfs/dbraw/zinc/24/30/97/513243097.db2.gz UCIXIFRJRZLMJY-UHFFFAOYSA-N 0 3 354.410 2.694 20 5 FFBDHN O=[N+]([O-])c1cc(Br)ccc1N[C@@H]1CCCN(CCCO)C1 ZINC000450621444 513276440 /nfs/dbraw/zinc/27/64/40/513276440.db2.gz WXLNAGVYSYQQNE-GFCCVEGCSA-N 0 3 358.236 2.616 20 5 FFBDHN C[C@@H](NC(=O)NC[C@H]1NCCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000417992285 513322923 /nfs/dbraw/zinc/32/29/23/513322923.db2.gz WKFWGSKBRGBMAY-CXAGYDPISA-N 0 3 354.410 2.842 20 5 FFBDHN C[C@@]1(c2ccccc2)CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000446724220 513324419 /nfs/dbraw/zinc/32/44/19/513324419.db2.gz YOYRUSUELMFLGY-UYAOXDASSA-N 0 3 356.422 2.998 20 5 FFBDHN CCOC(=O)C1CCC(O)(CN[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000429331925 513343909 /nfs/dbraw/zinc/34/39/09/513343909.db2.gz ILYWPZYQGQHTCI-WRSVWVKZSA-N 0 3 350.415 2.730 20 5 FFBDHN Cc1c(Br)cc(C(=O)N(C)C[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000421709777 513379917 /nfs/dbraw/zinc/37/99/17/513379917.db2.gz HBFYHPWEZZAFHQ-LBPRGKRZSA-N 0 3 370.247 2.832 20 5 FFBDHN CN1C[C@@H]2CCCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425061332 513398163 /nfs/dbraw/zinc/39/81/63/513398163.db2.gz YTGGNBAFSMWQPR-IINYFYTJSA-N 0 3 368.231 2.524 20 5 FFBDHN C[C@@H]1CN(C2CCN(c3ccc([N+](=O)[O-])c4ncccc43)CC2)CCO1 ZINC000413074379 513426805 /nfs/dbraw/zinc/42/68/05/513426805.db2.gz JABCPBQOYSMABG-CQSZACIVSA-N 0 3 356.426 2.833 20 5 FFBDHN O=C(Nc1ccc2c(c1)CNCC2)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000415888658 513464521 /nfs/dbraw/zinc/46/45/21/513464521.db2.gz AIAKMZVYYXCDGW-UHFFFAOYSA-N 0 3 368.393 2.667 20 5 FFBDHN C[C@H](NCCCN1C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000451109010 513530515 /nfs/dbraw/zinc/53/05/15/513530515.db2.gz XIOPAKLGQSKIMG-ZDUSSCGKSA-N 0 3 353.378 2.932 20 5 FFBDHN O=C(Nc1ccc2c(c1)CNC2)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000416008703 513535853 /nfs/dbraw/zinc/53/58/53/513535853.db2.gz MRZLGOZKMLQYBT-UHFFFAOYSA-N 0 3 354.366 2.625 20 5 FFBDHN COc1cc(CNC[C@@H]2N(C)CCCC2(C)C)c([N+](=O)[O-])cc1OC ZINC000447899969 513620426 /nfs/dbraw/zinc/62/04/26/513620426.db2.gz YPNWRUJLTJMKLJ-KRWDZBQOSA-N 0 3 351.447 2.822 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H](Oc3ccccc3)C2)c1 ZINC000419311419 513772218 /nfs/dbraw/zinc/77/22/18/513772218.db2.gz CWQQAUXEAIFCSC-YLJYHZDGSA-N 0 3 372.421 2.878 20 5 FFBDHN CC(C)O[C@H]1C[C@H](NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC000451503521 513794300 /nfs/dbraw/zinc/79/43/00/513794300.db2.gz QRIFDPGOFGGTJK-IRXDYDNUSA-N 0 3 361.442 2.666 20 5 FFBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H]2[C@H](C)[C@@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451502475 513794357 /nfs/dbraw/zinc/79/43/57/513794357.db2.gz PXCNBQCXMLHESJ-DPDCMNJDSA-N 0 3 365.430 2.580 20 5 FFBDHN COc1cc(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000448695985 513849489 /nfs/dbraw/zinc/84/94/89/513849489.db2.gz CKYZXQHPJIUYHN-RYUDHWBXSA-N 0 3 353.394 2.735 20 5 FFBDHN CC(C)[C@@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H](CO)C(C)C ZINC000451600771 513859998 /nfs/dbraw/zinc/85/99/98/513859998.db2.gz SQXRKPRTJKNONQ-OKZBNKHCSA-N 0 3 363.458 2.579 20 5 FFBDHN COc1ccc(OCCN(C)CC2(O)CCCCCC2)c([N+](=O)[O-])c1 ZINC000426240722 513880938 /nfs/dbraw/zinc/88/09/38/513880938.db2.gz ROKGNCWMAWMJEP-UHFFFAOYSA-N 0 3 352.431 2.999 20 5 FFBDHN CC[C@H]1CCCCN1CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448984990 514007381 /nfs/dbraw/zinc/00/73/81/514007381.db2.gz VKHNQVXHFSAYDY-INIZCTEOSA-N 0 3 371.441 2.775 20 5 FFBDHN CN1CCC[C@@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000451870589 514034175 /nfs/dbraw/zinc/03/41/75/514034175.db2.gz PPJYZCKVEXDTBM-NVXWUHKLSA-N 0 3 371.437 2.895 20 5 FFBDHN CCc1cc(N2CCNC[C@](C)(F)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420273021 514067335 /nfs/dbraw/zinc/06/73/35/514067335.db2.gz XELFPYBFUOOFEI-SFHVURJKSA-N 0 3 359.405 2.752 20 5 FFBDHN CCOc1ccc([C@H](C)Nc2ccc(N3CCNCC3)cn2)cc1[N+](=O)[O-] ZINC000423234807 514087240 /nfs/dbraw/zinc/08/72/40/514087240.db2.gz QLGUAVRYOMLTGD-AWEZNQCLSA-N 0 3 371.441 2.971 20 5 FFBDHN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000420343028 514101759 /nfs/dbraw/zinc/10/17/59/514101759.db2.gz YGPKSRNQGSZGQN-BEFAXECRSA-N 0 3 368.437 2.877 20 5 FFBDHN CN(C)C[C@@H]1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444032161 514103630 /nfs/dbraw/zinc/10/36/30/514103630.db2.gz BXMMAWOULKJOFW-ZDUSSCGKSA-N 0 3 367.424 2.844 20 5 FFBDHN Cc1cc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c2c(n1)CCCC2 ZINC000414455788 514127425 /nfs/dbraw/zinc/12/74/25/514127425.db2.gz BLBLUDMFORAHFF-UHFFFAOYSA-N 0 3 361.423 2.541 20 5 FFBDHN Cc1cc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c2c([nH+]1)CCCC2 ZINC000414455788 514127434 /nfs/dbraw/zinc/12/74/34/514127434.db2.gz BLBLUDMFORAHFF-UHFFFAOYSA-N 0 3 361.423 2.541 20 5 FFBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1cccc(N2CCOCC2)n1 ZINC000449259006 514132604 /nfs/dbraw/zinc/13/26/04/514132604.db2.gz RYKKJPAAZBXRGE-OAHLLOKOSA-N 0 3 356.426 2.547 20 5 FFBDHN COC(=O)[C@]1(C)CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000414563247 514181868 /nfs/dbraw/zinc/18/18/68/514181868.db2.gz VVMLGXHCRAQVRJ-LJQANCHMSA-N 0 3 372.425 2.770 20 5 FFBDHN Cn1nccc1[C@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000449596764 514265874 /nfs/dbraw/zinc/26/58/74/514265874.db2.gz YEYLRBIJEXTFMI-MLGOLLRUSA-N 0 3 350.806 2.992 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000432983612 514342664 /nfs/dbraw/zinc/34/26/64/514342664.db2.gz KBAZXPWJRFDEJX-AWEZNQCLSA-N 0 3 350.419 2.526 20 5 FFBDHN COc1cccc([C@@H](CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)N(C)C)c1 ZINC000427983885 514365964 /nfs/dbraw/zinc/36/59/64/514365964.db2.gz MLBAEFKLPMPCIB-QGZVFWFLSA-N 0 3 355.398 2.616 20 5 FFBDHN O=[N+]([O-])c1ccccc1OCCN1CCC(CO)(c2ccccc2)CC1 ZINC000433063244 514367570 /nfs/dbraw/zinc/36/75/70/514367570.db2.gz XCNYPDFNPYWXHU-UHFFFAOYSA-N 0 3 356.422 3.000 20 5 FFBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000445086552 514408970 /nfs/dbraw/zinc/40/89/70/514408970.db2.gz TWDJIKKKTSQHGH-STQMWFEESA-N 0 3 374.445 2.533 20 5 FFBDHN CN(C)C1(CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000445844114 514531882 /nfs/dbraw/zinc/53/18/82/514531882.db2.gz YADGOZQYZGFGJN-UHFFFAOYSA-N 0 3 354.838 2.574 20 5 FFBDHN CC(C)(C)CCN1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000466138079 514565228 /nfs/dbraw/zinc/56/52/28/514565228.db2.gz GQOMADUOCKKYPS-UHFFFAOYSA-N 0 3 362.474 2.901 20 5 FFBDHN Cc1c(CN(C)C[C@@H]2C[C@H](F)CN2Cc2ncccn2)cccc1[N+](=O)[O-] ZINC000470810746 514619850 /nfs/dbraw/zinc/61/98/50/514619850.db2.gz IHPSWUSZVLTSIT-IRXDYDNUSA-N 0 3 373.432 2.738 20 5 FFBDHN CN(C)CCN(Cc1ccsc1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000458201442 514622379 /nfs/dbraw/zinc/62/23/79/514622379.db2.gz MLEKVOBZZSIUIS-UHFFFAOYSA-N 0 3 373.438 2.737 20 5 FFBDHN COC1CCN(C2(CNC(=O)c3csc([N+](=O)[O-])c3)CCCC2)CC1 ZINC000502431153 514647624 /nfs/dbraw/zinc/64/76/24/514647624.db2.gz NSTYFPPRHYZIPQ-UHFFFAOYSA-N 0 3 367.471 2.810 20 5 FFBDHN CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000475423150 514656170 /nfs/dbraw/zinc/65/61/70/514656170.db2.gz QIZCPRUNFDAFJS-KRWDZBQOSA-N 0 3 369.421 2.707 20 5 FFBDHN COc1c(C(=O)Nc2cccc(OCCN(C)C)c2)cccc1[N+](=O)[O-] ZINC000475474953 514677630 /nfs/dbraw/zinc/67/76/30/514677630.db2.gz YLEOMPQSQXNUAI-UHFFFAOYSA-N 0 3 359.382 2.796 20 5 FFBDHN O=C1[C@H](N[C@@H]2CCCC[C@H]2OC(F)F)CCN1c1cccc([N+](=O)[O-])c1 ZINC000502538036 514685043 /nfs/dbraw/zinc/68/50/43/514685043.db2.gz APWFQXRNNUKRJU-RBSFLKMASA-N 0 3 369.368 2.840 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1(CN(C)C)CCC1 ZINC000466575729 514697470 /nfs/dbraw/zinc/69/74/70/514697470.db2.gz KDOHPZIRFZGFMM-NSHDSACASA-N 0 3 355.822 2.616 20 5 FFBDHN C[C@H](N[C@@H](C)[C@@H]1CCCOC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000502649514 514726680 /nfs/dbraw/zinc/72/66/80/514726680.db2.gz TUSNXCJGXTUXSO-SDDRHHMPSA-N 0 3 355.822 2.980 20 5 FFBDHN CCc1ccc(C(=O)NCC2(N(C)C)Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000471425195 514884202 /nfs/dbraw/zinc/88/42/02/514884202.db2.gz RWDCTGMOFFXZPJ-UHFFFAOYSA-N 0 3 367.449 2.986 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467214554 514942894 /nfs/dbraw/zinc/94/28/94/514942894.db2.gz CXSLRMOWDWETAC-BONVTDFDSA-N 0 3 352.822 2.530 20 5 FFBDHN CCN(C(=O)c1cc([N+](=O)[O-])nn1C)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000476381877 515027965 /nfs/dbraw/zinc/02/79/65/515027965.db2.gz YEYXDRGEKZQOAK-GOEBONIOSA-N 0 3 371.441 2.626 20 5 FFBDHN CCO[C@@H]1C[C@@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCCCC2 ZINC000503425867 515029720 /nfs/dbraw/zinc/02/97/20/515029720.db2.gz MNTUBUUNJGXYCT-IAGOWNOFSA-N 0 3 361.442 2.911 20 5 FFBDHN CCCN(CCN(CC)CC)S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000480688430 515044993 /nfs/dbraw/zinc/04/49/93/515044993.db2.gz IARZAEKONAHVNO-UHFFFAOYSA-N 0 3 371.503 2.954 20 5 FFBDHN CCC[C@@H](NCCN1C(=O)NC2(CCCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000480695530 515047892 /nfs/dbraw/zinc/04/78/92/515047892.db2.gz RRBMVIZIEPDVSD-MRXNPFEDSA-N 0 3 374.441 2.890 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1CCC[C@H]1OC(F)F ZINC000503530381 515073526 /nfs/dbraw/zinc/07/35/26/515073526.db2.gz FKIIOWVVFOYXOL-DRCTWCGVSA-N 0 3 373.356 2.680 20 5 FFBDHN COc1cc(CN2CCN(C)CC2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000490371449 515191063 /nfs/dbraw/zinc/19/10/63/515191063.db2.gz PYFAKSAHTWCHIK-UHFFFAOYSA-N 0 3 373.400 2.773 20 5 FFBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000499244501 515253458 /nfs/dbraw/zinc/25/34/58/515253458.db2.gz ARVYNCWQVHGLNQ-UHFFFAOYSA-N 0 3 350.806 2.780 20 5 FFBDHN CCC(CC)(CC(=O)OC)NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000472439855 515271705 /nfs/dbraw/zinc/27/17/05/515271705.db2.gz OOPABFIHAQQXEP-UHFFFAOYSA-N 0 3 351.403 2.553 20 5 FFBDHN COCc1cc([N+](=O)[O-])ccc1NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000486160603 515359624 /nfs/dbraw/zinc/35/96/24/515359624.db2.gz VWVZOCNOTVONDR-LJQANCHMSA-N 0 3 371.437 2.572 20 5 FFBDHN CCN(CCNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000454467909 515510565 /nfs/dbraw/zinc/51/05/65/515510565.db2.gz NQZGXQRZFVUUCW-INIZCTEOSA-N 0 3 360.458 2.968 20 5 FFBDHN C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[C@H](c1ccccc1)N(C)C ZINC000505604933 515607133 /nfs/dbraw/zinc/60/71/33/515607133.db2.gz GOJNJDBVDWWGMY-PIGZYNQJSA-N 0 3 360.389 2.737 20 5 FFBDHN Cc1cc(C)c(S(=O)(=O)N[C@H]2CCN(C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000493341246 515624263 /nfs/dbraw/zinc/62/42/63/515624263.db2.gz YMXHYWZVWQMXOL-AWEZNQCLSA-N 0 3 367.471 2.507 20 5 FFBDHN CN(C)CCN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000505662101 515627355 /nfs/dbraw/zinc/62/73/55/515627355.db2.gz OJRMGBIXYTUHLM-UHFFFAOYSA-N 0 3 360.439 2.885 20 5 FFBDHN Cc1cc(C)c(S(=O)(=O)NCCN(C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000493472711 515636477 /nfs/dbraw/zinc/63/64/77/515636477.db2.gz LVTAEQSITXSESM-UHFFFAOYSA-N 0 3 357.476 2.609 20 5 FFBDHN CN1CCN(CCC(C)(C)Nc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000473530075 515649081 /nfs/dbraw/zinc/64/90/81/515649081.db2.gz XAUNNSZGQRYPDO-UHFFFAOYSA-N 0 3 357.458 2.971 20 5 FFBDHN C[C@@H]1CN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000505857071 515698455 /nfs/dbraw/zinc/69/84/55/515698455.db2.gz NQPKRAIWSCZVEE-MNOVXSKESA-N 0 3 374.363 2.624 20 5 FFBDHN C[C@H](CCCc1cccnc1)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000459641346 515715348 /nfs/dbraw/zinc/71/53/48/515715348.db2.gz MKYBRLLNBKXSGK-OAHLLOKOSA-N 0 3 356.426 2.954 20 5 FFBDHN C[C@H]1[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000494045867 515719074 /nfs/dbraw/zinc/71/90/74/515719074.db2.gz CNRPIDYKQMBXLO-HNAYVOBHSA-N 0 3 369.421 2.753 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)CCCc1cccnc1 ZINC000459651109 515720429 /nfs/dbraw/zinc/72/04/29/515720429.db2.gz YNYQUBAAYFXWDJ-CQSZACIVSA-N 0 3 372.425 2.938 20 5 FFBDHN Cc1ccc([C@@H](C)NCCc2nnnn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000510975479 515735019 /nfs/dbraw/zinc/73/50/19/515735019.db2.gz CATFYJIEAJGRLR-CQSZACIVSA-N 0 3 352.398 2.772 20 5 FFBDHN CN(CCn1cc(Br)cc([N+](=O)[O-])c1=O)Cc1ccccc1 ZINC000487099281 515756922 /nfs/dbraw/zinc/75/69/22/515756922.db2.gz LMXOEXHFNQGPOD-UHFFFAOYSA-N 0 3 366.215 2.651 20 5 FFBDHN CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CCN1C ZINC000487138628 515774684 /nfs/dbraw/zinc/77/46/84/515774684.db2.gz NRORSSUEDMMSHU-GOSISDBHSA-N 0 3 360.458 2.607 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](CO)c1ccc(OC)cc1 ZINC000459732619 515776502 /nfs/dbraw/zinc/77/65/02/515776502.db2.gz JGQODWZAGJGBKU-INIZCTEOSA-N 0 3 360.410 2.868 20 5 FFBDHN CO[C@H]1C[C@H](NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000459777474 515799140 /nfs/dbraw/zinc/79/91/40/515799140.db2.gz VZUBWBMPGKMGSM-KBPBESRZSA-N 0 3 353.806 2.734 20 5 FFBDHN COc1ccccc1[C@H]1[C@@H](N)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000457362796 515828473 /nfs/dbraw/zinc/82/84/73/515828473.db2.gz MZVAUPKICOATFQ-WMZOPIPTSA-N 0 3 355.394 2.908 20 5 FFBDHN CCC1(CC)CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CCS1 ZINC000464581335 515882683 /nfs/dbraw/zinc/88/26/83/515882683.db2.gz ODWVUNFRCKLIGN-AWEZNQCLSA-N 0 3 354.472 2.942 20 5 FFBDHN CC[C@H]1CCCCN1CCNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000500856657 515885333 /nfs/dbraw/zinc/88/53/33/515885333.db2.gz ICQQNAQATCHATR-INIZCTEOSA-N 0 3 363.462 2.570 20 5 FFBDHN CC[C@H]1CCCCN1CCNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000500872054 515890815 /nfs/dbraw/zinc/89/08/15/515890815.db2.gz VPLNYCRGBXVGIF-HNNXBMFYSA-N 0 3 363.462 2.570 20 5 FFBDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000469686121 515917638 /nfs/dbraw/zinc/91/76/38/515917638.db2.gz SPTJCYWBMXFCOG-KRWDZBQOSA-N 0 3 371.441 2.690 20 5 FFBDHN COC(=O)[C@@H]1CCCC[C@]1(C)NCc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000464688815 515924082 /nfs/dbraw/zinc/92/40/82/515924082.db2.gz IRAHDGUHJDPECQ-SJCJKPOMSA-N 0 3 354.378 2.954 20 5 FFBDHN C[C@@H](N[C@@H](C)CN1CCN(c2ccccn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000483154185 515958049 /nfs/dbraw/zinc/95/80/49/515958049.db2.gz IEHJSNQYZLDJFN-DLBZAZTESA-N 0 3 369.469 2.851 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000487838947 516000346 /nfs/dbraw/zinc/00/03/46/516000346.db2.gz OGNRVOFGNIAEHK-RISCZKNCSA-N 0 3 354.838 2.573 20 5 FFBDHN O=C(CN(CC1CC1)CC1CCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000483261892 516007623 /nfs/dbraw/zinc/00/76/23/516007623.db2.gz OBMOJMHGAQMHJX-UHFFFAOYSA-N 0 3 361.398 2.774 20 5 FFBDHN COC(=O)COc1ccc(CNCCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000474364208 516012238 /nfs/dbraw/zinc/01/22/38/516012238.db2.gz UXAFLVZKNGLODC-UHFFFAOYSA-N 0 3 362.357 2.618 20 5 FFBDHN CNC(=O)C[C@H](NCCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000483414791 516078414 /nfs/dbraw/zinc/07/84/14/516078414.db2.gz IHIRWLSMNHDXNY-SFHVURJKSA-N 0 3 357.410 2.831 20 5 FFBDHN C[C@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000507328432 516174025 /nfs/dbraw/zinc/17/40/25/516174025.db2.gz HPWJBMGIKUKVHC-LBPRGKRZSA-N 0 3 373.450 2.523 20 5 FFBDHN C[C@@H](CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](C)CO)c1ccccc1 ZINC000554280148 516358896 /nfs/dbraw/zinc/35/88/96/516358896.db2.gz XJDGGCVGZMLKNI-GJZGRUSLSA-N 0 3 371.437 2.680 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](CO)c1ccccc1C ZINC000543837307 516451190 /nfs/dbraw/zinc/45/11/90/516451190.db2.gz YVWWGVIRYAYLEA-SFHVURJKSA-N 0 3 357.410 2.863 20 5 FFBDHN Cc1nc2ccccn2c(=O)c1CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000554940585 516710065 /nfs/dbraw/zinc/71/00/65/516710065.db2.gz QYDALVFRKMSMPY-CYBMUJFWSA-N 0 3 352.394 2.804 20 5 FFBDHN C[C@H](CCN1C(=O)c2ccccc2C1=O)NCc1ccccc1[N+](=O)[O-] ZINC000513698340 516723461 /nfs/dbraw/zinc/72/34/61/516723461.db2.gz ZMUJBRAAZHOUIQ-CYBMUJFWSA-N 0 3 353.378 2.759 20 5 FFBDHN C[C@H]1C[C@H]1N1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@@H](C)C1 ZINC000561749741 516747287 /nfs/dbraw/zinc/74/72/87/516747287.db2.gz ZARHAHARDYIDOX-SUNYJGFJSA-N 0 3 368.437 2.945 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])c(NCc2ccccc2CN2CC[C@H](O)C2)n1 ZINC000541004453 516826682 /nfs/dbraw/zinc/82/66/82/516826682.db2.gz CBOAXEPLKXDMPR-KRWDZBQOSA-N 0 3 356.426 2.785 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCC[C@@H]1CN(C)C ZINC000519139853 516897095 /nfs/dbraw/zinc/89/70/95/516897095.db2.gz CZMKHAKOPNEEBQ-GXTWGEPZSA-N 0 3 369.849 2.958 20 5 FFBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000558800390 516950641 /nfs/dbraw/zinc/95/06/41/516950641.db2.gz CYUBVLCHMLWQHF-UHFFFAOYSA-N 0 3 357.366 2.946 20 5 FFBDHN CN(C)CCN(CCCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532398910 516953709 /nfs/dbraw/zinc/95/37/09/516953709.db2.gz PFKJVOZUCVICPV-UHFFFAOYSA-N 0 3 356.426 2.626 20 5 FFBDHN CC[C@H](NCCN1CCN(C(=O)C2CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000536865096 516956598 /nfs/dbraw/zinc/95/65/98/516956598.db2.gz RZPGITCLKFDEIE-IBGZPJMESA-N 0 3 374.485 2.580 20 5 FFBDHN CC[C@@H](C)C[C@@H](CC)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536857115 516956880 /nfs/dbraw/zinc/95/68/80/516956880.db2.gz IQOGZZDQLQGLLP-ZIAGYGMSSA-N 0 3 357.476 2.678 20 5 FFBDHN CC(C)(C)OC1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000541350440 517006201 /nfs/dbraw/zinc/00/62/01/517006201.db2.gz ZRDZXTCEQSDANI-CQSZACIVSA-N 0 3 352.431 2.614 20 5 FFBDHN COc1ccc(NC(=O)CCN(C)CCc2ccccc2O)c([N+](=O)[O-])c1 ZINC000541386328 517022311 /nfs/dbraw/zinc/02/23/11/517022311.db2.gz PAPWXROIXCIPBU-UHFFFAOYSA-N 0 3 373.409 2.812 20 5 FFBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000525554727 517074184 /nfs/dbraw/zinc/07/41/84/517074184.db2.gz PEUUTBNRAOYPTK-MLGOLLRUSA-N 0 3 362.455 2.808 20 5 FFBDHN COc1cc(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000525560305 517075404 /nfs/dbraw/zinc/07/54/04/517075404.db2.gz NVINIKZMKHEPLM-CHWSQXEVSA-N 0 3 365.430 2.605 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CCCN(C)Cc1ccncc1 ZINC000552112662 517085362 /nfs/dbraw/zinc/08/53/62/517085362.db2.gz ORAUQDYMKWFOCP-UHFFFAOYSA-N 0 3 356.426 2.892 20 5 FFBDHN O=C1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H](C2CC2)N1 ZINC000559234413 517125463 /nfs/dbraw/zinc/12/54/63/517125463.db2.gz MVVBPAAWNAKPGH-HIFRSBDPSA-N 0 3 357.332 2.760 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCC[C@@H](C3CC3)C2)cc1 ZINC000541737682 517193834 /nfs/dbraw/zinc/19/38/34/517193834.db2.gz ALTZPXIZOVHWFK-HUUCEWRRSA-N 0 3 352.456 2.927 20 5 FFBDHN Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)N2CCCC2)cc1 ZINC000519937044 517246506 /nfs/dbraw/zinc/24/65/06/517246506.db2.gz RIWHDXGXWNDSEZ-SFHVURJKSA-N 0 3 356.426 2.809 20 5 FFBDHN CN(C)CCOc1cnccc1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000515325974 517298100 /nfs/dbraw/zinc/29/81/00/517298100.db2.gz MUOAPODTIUARGW-UHFFFAOYSA-N 0 3 374.426 2.547 20 5 FFBDHN C[C@@H]1CCCC[C@@H]1OCCNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000548950109 517322897 /nfs/dbraw/zinc/32/28/97/517322897.db2.gz LGEXOWUBEXZIED-HFTRVMKXSA-N 0 3 352.431 2.519 20 5 FFBDHN C[C@@H]1CCCC[C@@H]1OCCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000548950110 517323128 /nfs/dbraw/zinc/32/31/28/517323128.db2.gz LGEXOWUBEXZIED-KYJSFNMBSA-N 0 3 352.431 2.519 20 5 FFBDHN Cc1cc(C2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)n[nH]1 ZINC000542053669 517360880 /nfs/dbraw/zinc/36/08/80/517360880.db2.gz OPUQWAAUEYYTFL-UHFFFAOYSA-N 0 3 357.414 2.835 20 5 FFBDHN CC(C)CC[C@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000549237063 517470590 /nfs/dbraw/zinc/47/05/90/517470590.db2.gz JETKQWIKYVIJSU-HNNXBMFYSA-N 0 3 369.487 2.678 20 5 FFBDHN Cc1c(Br)cc(C(=O)NC[C@@H](C)N2CCCC2)cc1[N+](=O)[O-] ZINC000533578476 517537910 /nfs/dbraw/zinc/53/79/10/517537910.db2.gz ABCCQYHFTQEXBL-SNVBAGLBSA-N 0 3 370.247 2.880 20 5 FFBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533801227 517616489 /nfs/dbraw/zinc/61/64/89/517616489.db2.gz HJDRHDJEXRTGBD-GJZGRUSLSA-N 0 3 360.458 2.925 20 5 FFBDHN CCCCN(C)C[C@H](C)NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000516508119 517715921 /nfs/dbraw/zinc/71/59/21/517715921.db2.gz YIXIYKTVMJLACM-AWEZNQCLSA-N 0 3 357.476 2.610 20 5 FFBDHN C[C@@H]1CCCCN1CCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000542781114 517736142 /nfs/dbraw/zinc/73/61/42/517736142.db2.gz IVLJWYNCAHAIOK-CYBMUJFWSA-N 0 3 368.865 2.964 20 5 FFBDHN CCCCN1CCC(NS(=O)(=O)c2ccc(CC)c([N+](=O)[O-])c2)CC1 ZINC000516566635 517747146 /nfs/dbraw/zinc/74/71/46/517747146.db2.gz IDDIZLFCDHEPCT-UHFFFAOYSA-N 0 3 369.487 2.700 20 5 FFBDHN COc1ccc(CNC(=O)N2CCCN(C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000521908591 517895047 /nfs/dbraw/zinc/89/50/47/517895047.db2.gz KCBSEBXQBZVHBS-UHFFFAOYSA-N 0 3 364.446 2.619 20 5 FFBDHN CCN(CCN1CCCCCC1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000553800730 517913837 /nfs/dbraw/zinc/91/38/37/517913837.db2.gz PVFXKBCVCDQSME-UHFFFAOYSA-N 0 3 359.430 2.809 20 5 FFBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](Cc1ccccc1)N(C)C ZINC000534521604 517925299 /nfs/dbraw/zinc/92/52/99/517925299.db2.gz JWNMPPDZCYBUFI-INIZCTEOSA-N 0 3 356.426 2.539 20 5 FFBDHN CC(C)C[C@@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000557393528 517988922 /nfs/dbraw/zinc/98/89/22/517988922.db2.gz SQFNXLGTFHMHHP-ROUUACIJSA-N 0 3 359.474 2.984 20 5 FFBDHN CN(C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cc1 ZINC000530835689 518001733 /nfs/dbraw/zinc/00/17/33/518001733.db2.gz GTCNMFZSNFFZFB-UHFFFAOYSA-N 0 3 357.366 2.680 20 5 FFBDHN Cc1ccc(-c2nc(-c3ccnc(OCCN(C)C)c3)no2)cc1[N+](=O)[O-] ZINC000547193309 518017490 /nfs/dbraw/zinc/01/74/90/518017490.db2.gz WNKVRVPRPUDBPX-UHFFFAOYSA-N 0 3 369.381 2.956 20 5 FFBDHN CCOc1cc(C(=O)Nc2cccc3c2CCNC3)c([N+](=O)[O-])cc1OC ZINC000517230738 518079117 /nfs/dbraw/zinc/07/91/17/518079117.db2.gz SKRZYEMHFQYZTJ-UHFFFAOYSA-N 0 3 371.393 2.900 20 5 FFBDHN Cc1ccc([C@@H](CNc2ncnc3cccc([N+](=O)[O-])c32)N(C)C)cc1 ZINC000543450890 518099382 /nfs/dbraw/zinc/09/93/82/518099382.db2.gz DVCVHEUTJVETEB-QGZVFWFLSA-N 0 3 351.410 2.983 20 5 FFBDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000547421570 518131404 /nfs/dbraw/zinc/13/14/04/518131404.db2.gz DPDUUVFNUZNEPM-SFHVURJKSA-N 0 3 356.426 2.876 20 5 FFBDHN CCSc1cc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)ccn1 ZINC000563805524 518132234 /nfs/dbraw/zinc/13/22/34/518132234.db2.gz JBUXRPNLRCUVLV-OAHLLOKOSA-N 0 3 363.439 2.631 20 5 FFBDHN C[C@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)N1CCCC[C@H]1C ZINC000535282377 518173263 /nfs/dbraw/zinc/17/32/63/518173263.db2.gz VVUAHSCYWNADNB-HUUCEWRRSA-N 0 3 360.458 2.925 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCCc2cc3ccccc3o2)c1 ZINC000563881690 518212644 /nfs/dbraw/zinc/21/26/44/518212644.db2.gz NBQNFCQARJXRAM-INIZCTEOSA-N 0 3 356.378 2.913 20 5 FFBDHN CC(C)C[C@@H]1C[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000581365854 518251112 /nfs/dbraw/zinc/25/11/12/518251112.db2.gz PKQZPTGFWCRFFG-GOEBONIOSA-N 0 3 370.471 2.552 20 5 FFBDHN C[C@@H]1CCCCN1CCNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000564068064 518292467 /nfs/dbraw/zinc/29/24/67/518292467.db2.gz UEHOMKOGRGYVQJ-CQSZACIVSA-N 0 3 373.457 2.792 20 5 FFBDHN Cc1cccc(-c2ccc(CNC[C@H](O)Cn3cc([N+](=O)[O-])cn3)cc2)c1 ZINC000567042768 518324732 /nfs/dbraw/zinc/32/47/32/518324732.db2.gz VGJZJVJJGDQJEP-FQEVSTJZSA-N 0 3 366.421 2.917 20 5 FFBDHN Cc1cc(NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)c2cc([N+](=O)[O-])ccc2n1 ZINC000575884596 518329068 /nfs/dbraw/zinc/32/90/68/518329068.db2.gz LUTFQMPMCDAJAE-IFXJQAMLSA-N 0 3 371.437 2.853 20 5 FFBDHN O=c1[nH]c(N2CCN(CC3CCCCC3)CC2)nc2ccc([N+](=O)[O-])cc21 ZINC000578733014 518348170 /nfs/dbraw/zinc/34/81/70/518348170.db2.gz FBZXHYKKUKANAL-UHFFFAOYSA-N 0 3 371.441 2.946 20 5 FFBDHN CCN(C[C@@H]1CCCN1CC)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000579026173 518486075 /nfs/dbraw/zinc/48/60/75/518486075.db2.gz LYVFFDAPHJETRB-SFHVURJKSA-N 0 3 371.441 2.727 20 5 FFBDHN CCCCN(C)CCNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000567644093 518629835 /nfs/dbraw/zinc/62/98/35/518629835.db2.gz SDIDTVYZQAEVGN-UHFFFAOYSA-N 0 3 361.446 2.650 20 5 FFBDHN CCO[C@@H]1C[C@@H](NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C12CCCC2 ZINC000582234054 518652876 /nfs/dbraw/zinc/65/28/76/518652876.db2.gz QIGJZMHGAXUEBJ-IAGOWNOFSA-N 0 3 361.442 2.885 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](c2cccnc2)C1 ZINC000576869842 518803774 /nfs/dbraw/zinc/80/37/74/518803774.db2.gz DHJVPQSZBYLZIZ-OAHLLOKOSA-N 0 3 370.409 2.817 20 5 FFBDHN C[C@H](O)C[C@@H]1CCCCCN1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589187595 518943394 /nfs/dbraw/zinc/94/33/94/518943394.db2.gz BCCPRWHRCSTQOU-ZFWWWQNUSA-N 0 3 350.415 2.882 20 5 FFBDHN CCN(CCN1CCCCCC1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000565413937 518943635 /nfs/dbraw/zinc/94/36/35/518943635.db2.gz PLSOQXDZMARYAN-UHFFFAOYSA-N 0 3 369.487 2.623 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(c2ccncc2)CC1 ZINC000589374954 518990566 /nfs/dbraw/zinc/99/05/66/518990566.db2.gz CZSPWYQIVBOAAU-UHFFFAOYSA-N 0 3 355.398 2.906 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H](c2ccccc2)[C@@H]2CCCO2)c1 ZINC000580184545 519049082 /nfs/dbraw/zinc/04/90/82/519049082.db2.gz GXHKQOZHNVCVJL-HOJAQTOUSA-N 0 3 372.421 2.844 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCCN2CC[C@](CO)(c3ccccc3)C2)cc1 ZINC000589749312 519075096 /nfs/dbraw/zinc/07/50/96/519075096.db2.gz HEMUECHEISISIC-FQEVSTJZSA-N 0 3 356.422 3.000 20 5 FFBDHN CCc1ccc(S(=O)(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000568744808 519194675 /nfs/dbraw/zinc/19/46/75/519194675.db2.gz GFBMGVFMNBIOSU-ZDUSSCGKSA-N 0 3 369.487 2.508 20 5 FFBDHN COc1ncccc1CCNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000565922458 519198599 /nfs/dbraw/zinc/19/85/99/519198599.db2.gz KPCKIVHDSSPUIH-UHFFFAOYSA-N 0 3 353.325 2.932 20 5 FFBDHN CC(C)c1ccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000590566389 519268757 /nfs/dbraw/zinc/26/87/57/519268757.db2.gz ZRKUXBIHXYTAME-FUHWJXTLSA-N 0 3 361.442 2.653 20 5 FFBDHN Cc1ccnc([C@H]2CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000580656751 519288319 /nfs/dbraw/zinc/28/83/19/519288319.db2.gz FFVOGGAYXMPJKW-DOTOQJQBSA-N 0 3 357.410 2.527 20 5 FFBDHN COc1ccc(NC(=O)CCN2CC(C)(C)OCC2(C)C)c([N+](=O)[O-])c1 ZINC000591014726 519475579 /nfs/dbraw/zinc/47/55/79/519475579.db2.gz HUGDPKGQHDYJHL-UHFFFAOYSA-N 0 3 365.430 2.821 20 5 FFBDHN O=C(Nc1cccc2c1CCNC2)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000569331435 519497087 /nfs/dbraw/zinc/49/70/87/519497087.db2.gz OMJIWJMZTGQKGQ-UHFFFAOYSA-N 0 3 368.393 2.536 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](O)[C@H]1CCc1ccccc1 ZINC000602851523 519923808 /nfs/dbraw/zinc/92/38/08/519923808.db2.gz LOIRZUISEHHLNW-MSOLQXFVSA-N 0 3 358.442 2.558 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H](c2cccnc2)C1 ZINC000602856890 519927942 /nfs/dbraw/zinc/92/79/42/519927942.db2.gz STXWIYJJNHQBLB-SJORKVTESA-N 0 3 357.410 2.609 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H](c3cccnc3)C2)c1 ZINC000602855822 519929738 /nfs/dbraw/zinc/92/97/38/519929738.db2.gz PQYMUTUFHUMHHG-SJLPKXTDSA-N 0 3 357.410 2.609 20 5 FFBDHN CCOc1cc(OC[C@H](O)CN(C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000616179498 519935147 /nfs/dbraw/zinc/93/51/47/519935147.db2.gz DXRJXBCVRVOSCM-MRXNPFEDSA-N 0 3 360.410 2.865 20 5 FFBDHN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCCN(c2ccncc2)CC1 ZINC000603084604 520070785 /nfs/dbraw/zinc/07/07/85/520070785.db2.gz VGUCCHYRZHYYML-UHFFFAOYSA-N 0 3 360.801 2.996 20 5 FFBDHN Cc1cc(OCC(=O)NC[C@H]2CCN2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000600230520 520140176 /nfs/dbraw/zinc/14/01/76/520140176.db2.gz SYJKABQTDKJHJP-MRXNPFEDSA-N 0 3 361.442 2.805 20 5 FFBDHN CCc1ccc(S(=O)(=O)NC[C@H]2CCN(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594793932 520161616 /nfs/dbraw/zinc/16/16/16/520161616.db2.gz WPNGTOUOTVVYII-CYBMUJFWSA-N 0 3 369.487 2.556 20 5 FFBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000609018100 520178743 /nfs/dbraw/zinc/17/87/43/520178743.db2.gz PHZFNZAWZVBBCY-KRWDZBQOSA-N 0 3 356.426 2.890 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCNCc2ccc(O[C@H]3CCOC3)cc2)cc1 ZINC000594928515 520220507 /nfs/dbraw/zinc/22/05/07/520220507.db2.gz ZTMIZFGJQYIODY-IBGZPJMESA-N 0 3 358.394 2.931 20 5 FFBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000609187725 520222877 /nfs/dbraw/zinc/22/28/77/520222877.db2.gz KPXZIMDNQSRISZ-HNNXBMFYSA-N 0 3 361.398 2.524 20 5 FFBDHN COCCN(CCN(C)C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000609189192 520224746 /nfs/dbraw/zinc/22/47/46/520224746.db2.gz LLJNYZQDGZKKIP-UHFFFAOYSA-N 0 3 351.447 2.543 20 5 FFBDHN O=C(NCc1ccccc1)[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000592155528 520231659 /nfs/dbraw/zinc/23/16/59/520231659.db2.gz OFPBNIIRDSPVEK-KRWDZBQOSA-N 0 3 369.421 2.612 20 5 FFBDHN O=C(NCc1ccccc1)[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000592155206 520232296 /nfs/dbraw/zinc/23/22/96/520232296.db2.gz MSZVLKUBBIJBGZ-QGZVFWFLSA-N 0 3 369.421 2.612 20 5 FFBDHN COc1ccc(Cc2nc(C3C[C@H]4CC[C@@H](C3)N4C)no2)cc1[N+](=O)[O-] ZINC000612954199 520235798 /nfs/dbraw/zinc/23/57/98/520235798.db2.gz CYZIREUHQIYXRR-AGUYFDCRSA-N 0 3 358.398 2.917 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1ccnc(OCCN(C)C)c1 ZINC000595036987 520264845 /nfs/dbraw/zinc/26/48/45/520264845.db2.gz ZACGCCMPWVGAQR-AWEZNQCLSA-N 0 3 374.441 2.790 20 5 FFBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000597859317 520286085 /nfs/dbraw/zinc/28/60/85/520286085.db2.gz UKJNVFLEUNDRQU-LLVKDONJSA-N 0 3 370.247 2.960 20 5 FFBDHN COC1CCN(C(C)(C)CNC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000609355793 520293003 /nfs/dbraw/zinc/29/30/03/520293003.db2.gz DGQAJIJXZSXKBM-UHFFFAOYSA-N 0 3 364.446 2.914 20 5 FFBDHN CCCc1n[nH]c(C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000609476782 520322927 /nfs/dbraw/zinc/32/29/27/520322927.db2.gz REXKPCAQHDTPFP-GFCCVEGCSA-N 0 3 351.451 2.511 20 5 FFBDHN CCN(C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000597945544 520344991 /nfs/dbraw/zinc/34/49/91/520344991.db2.gz HYFJKDQNYHKUFI-GFCCVEGCSA-N 0 3 370.247 2.832 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2cccc(F)c2)[C@H](N)C1 ZINC000595226160 520360984 /nfs/dbraw/zinc/36/09/84/520360984.db2.gz QVTOZKARPCLGLU-SJLPKXTDSA-N 0 3 357.385 2.999 20 5 FFBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000595236245 520367088 /nfs/dbraw/zinc/36/70/88/520367088.db2.gz XTTIKLZAYQCLSV-GOSISDBHSA-N 0 3 370.409 2.620 20 5 FFBDHN Cc1c(NC(=O)CCN2CCc3ccccc3[C@H]2CN)cccc1[N+](=O)[O-] ZINC000592494843 520419074 /nfs/dbraw/zinc/41/90/74/520419074.db2.gz ABNMEDTZMNITKY-LJQANCHMSA-N 0 3 368.437 2.790 20 5 FFBDHN CC[C@@H](CN1CCCC1)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000609851101 520457501 /nfs/dbraw/zinc/45/75/01/520457501.db2.gz ALNFYMKIKCYMLG-KRWDZBQOSA-N 0 3 374.485 2.802 20 5 FFBDHN CN1CCC[C@@H](NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000604197939 520480879 /nfs/dbraw/zinc/48/08/79/520480879.db2.gz CBNJSXDEUUNXQG-GFCCVEGCSA-N 0 3 374.363 2.626 20 5 FFBDHN CCOc1cc(CN2CCC[C@H](N3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000595473003 520493450 /nfs/dbraw/zinc/49/34/50/520493450.db2.gz RZUDLFWBRNIKPW-KRWDZBQOSA-N 0 3 363.458 2.680 20 5 FFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C[C@H]1C ZINC000610135391 520553823 /nfs/dbraw/zinc/55/38/23/520553823.db2.gz RADXFTVMNWARDZ-UKRRQHHQSA-N 0 3 369.487 2.705 20 5 FFBDHN CCCN1CC[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000598341906 520564786 /nfs/dbraw/zinc/56/47/86/520564786.db2.gz IBHOSPCMAISJDK-GFCCVEGCSA-N 0 3 356.220 2.571 20 5 FFBDHN COc1cc(Nc2cnn(C3CCN(C)CC3)c2)c([N+](=O)[O-])cc1OC ZINC000601226536 520697271 /nfs/dbraw/zinc/69/72/71/520697271.db2.gz NFCIVCJHFBUATH-UHFFFAOYSA-N 0 3 361.402 2.819 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCCN(C[C@@H]3CCCO3)CC2)c2ccncc21 ZINC000610489250 520712544 /nfs/dbraw/zinc/71/25/44/520712544.db2.gz SNOBOYBTUWUBDX-HNNXBMFYSA-N 0 3 356.426 2.834 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000595774007 520715299 /nfs/dbraw/zinc/71/52/99/520715299.db2.gz ZAZJKSDKZDDWPT-CVEARBPZSA-N 0 3 371.441 2.576 20 5 FFBDHN COC(=O)c1ccnc(NC[C@H]2CCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000598598727 520735574 /nfs/dbraw/zinc/73/55/74/520735574.db2.gz UADDUSUUDNASHE-OAHLLOKOSA-N 0 3 370.409 2.853 20 5 FFBDHN CN1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H](Cc2ccccc2)C1 ZINC000593088512 520735637 /nfs/dbraw/zinc/73/56/37/520735637.db2.gz FYYVUUUFBKWYCT-IBGZPJMESA-N 0 3 355.438 2.832 20 5 FFBDHN CN(CCN1CCCCC1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000593113396 520753845 /nfs/dbraw/zinc/75/38/45/520753845.db2.gz ZUWABUBJOKWDBD-UHFFFAOYSA-N 0 3 354.838 2.604 20 5 FFBDHN Cc1cc(S(=O)(=O)[N-]C2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])s1 ZINC000601365510 520759576 /nfs/dbraw/zinc/75/95/76/520759576.db2.gz UQHJICYSGZRGPG-UHFFFAOYSA-N 0 3 373.500 2.650 20 5 FFBDHN Cc1ccccc1CN1CCCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596077508 520897542 /nfs/dbraw/zinc/89/75/42/520897542.db2.gz RKPOPFDZZDHMQB-UHFFFAOYSA-N 0 3 368.437 2.714 20 5 FFBDHN COC(=O)c1c(Cl)c(N2CCc3nccc(N)c3C2)ccc1[N+](=O)[O-] ZINC000598940885 520932477 /nfs/dbraw/zinc/93/24/77/520932477.db2.gz BMFFUVSIZCRYJO-UHFFFAOYSA-N 0 3 362.773 2.575 20 5 FFBDHN COC(=O)c1c(Cl)c(N(C)[C@H]2CCN(C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596150991 520940743 /nfs/dbraw/zinc/94/07/43/520940743.db2.gz GWDIBOVKSOTSEH-QWRGUYRKSA-N 0 3 355.822 2.811 20 5 FFBDHN Cc1cccc(CN(CCN(C)C)c2ccc([N+](=O)[O-])c(C(N)=O)c2)c1 ZINC000596158597 520943103 /nfs/dbraw/zinc/94/31/03/520943103.db2.gz AHTPNRNONQISOO-UHFFFAOYSA-N 0 3 356.426 2.570 20 5 FFBDHN C[C@H]1CN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CCN1CC(C)(C)O ZINC000596223947 520978828 /nfs/dbraw/zinc/97/88/28/520978828.db2.gz VDGPPOSKYPUAFT-NSHDSACASA-N 0 3 361.364 2.895 20 5 FFBDHN O=[N+]([O-])c1ccc2[nH]c(CN3CC[C@@H]4[C@@H](CCCN4C4CC4)C3)nc2c1 ZINC000618288440 520982836 /nfs/dbraw/zinc/98/28/36/520982836.db2.gz PURCUXIFKJLTOG-SCLBCKFNSA-N 0 3 355.442 2.920 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCC(CN2CCOCC2)CC1 ZINC000593454426 521002062 /nfs/dbraw/zinc/00/20/62/521002062.db2.gz HVNKSGYWWULIIJ-UHFFFAOYSA-N 0 3 356.426 2.692 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCc2cccc(CN)c21 ZINC000599103302 521032933 /nfs/dbraw/zinc/03/29/33/521032933.db2.gz QZELGMNYPJGLHJ-UHFFFAOYSA-N 0 3 361.423 2.503 20 5 FFBDHN CN(CCN1CCCCC1)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000593515271 521043804 /nfs/dbraw/zinc/04/38/04/521043804.db2.gz FCNYMKOQDPZJCS-UHFFFAOYSA-N 0 3 360.458 2.753 20 5 FFBDHN COc1cccc(NCc2ccc(CN3CC[C@H](O)C3)cc2)c1[N+](=O)[O-] ZINC000596425277 521064982 /nfs/dbraw/zinc/06/49/82/521064982.db2.gz XKWKQFUTOJIMJN-INIZCTEOSA-N 0 3 357.410 2.782 20 5 FFBDHN CC[C@@H](CN1CCCC1)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000611523785 521201909 /nfs/dbraw/zinc/20/19/09/521201909.db2.gz OMCPXOIAMSSHBG-HNNXBMFYSA-N 0 3 368.865 2.964 20 5 FFBDHN COc1cc(N2C[C@H](SC)[C@@H](N3CCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000614978051 521218476 /nfs/dbraw/zinc/21/84/76/521218476.db2.gz VBGXQPUXRRERRB-HOCLYGCPSA-N 0 3 355.435 2.759 20 5 FFBDHN COc1cc(N2C[C@@H](SC)[C@H](N3CCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000614978049 521218624 /nfs/dbraw/zinc/21/86/24/521218624.db2.gz VBGXQPUXRRERRB-GDBMZVCRSA-N 0 3 355.435 2.759 20 5 FFBDHN CCCCN(C)CCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599453814 521236510 /nfs/dbraw/zinc/23/65/10/521236510.db2.gz BOBWKZZQQJHUIE-UHFFFAOYSA-N 0 3 358.236 2.819 20 5 FFBDHN CN(C)[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)c1cccc(F)c1 ZINC000611700303 521286934 /nfs/dbraw/zinc/28/69/34/521286934.db2.gz ONVICPVBYPHQBO-QGZVFWFLSA-N 0 3 355.373 2.814 20 5 FFBDHN COc1ccc(NC(=O)N[C@H](C)CN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000596830179 521316435 /nfs/dbraw/zinc/31/64/35/521316435.db2.gz APRKZPJTKOSIQD-CYBMUJFWSA-N 0 3 350.419 2.845 20 5 FFBDHN COc1ccc(NC(=O)N[C@@H](C)CN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000596830180 521317224 /nfs/dbraw/zinc/31/72/24/521317224.db2.gz APRKZPJTKOSIQD-ZDUSSCGKSA-N 0 3 350.419 2.845 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599664461 521377054 /nfs/dbraw/zinc/37/70/54/521377054.db2.gz NVPYQZDHSCTMJX-JOYOIKCWSA-N 0 3 368.231 2.570 20 5 FFBDHN CN(C)CCOc1ccccc1CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602525863 521395234 /nfs/dbraw/zinc/39/52/34/521395234.db2.gz SVPDKPKEFYABOU-UHFFFAOYSA-N 0 3 370.409 2.966 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1cnccc1C ZINC000611939223 521401952 /nfs/dbraw/zinc/40/19/52/521401952.db2.gz PKEFYGHXFRFDQG-CYBMUJFWSA-N 0 3 358.398 2.986 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1cnccc1C ZINC000611940140 521401993 /nfs/dbraw/zinc/40/19/93/521401993.db2.gz UEQCOCLXHPWZOP-CYBMUJFWSA-N 0 3 358.398 2.986 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@@H]1NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602568321 521415660 /nfs/dbraw/zinc/41/56/60/521415660.db2.gz JPKZCOGVYAIJRH-UFBFGSQYSA-N 0 3 360.277 2.991 20 5 FFBDHN O=[N+]([O-])c1sc(CN[C@@H]2CCc3c[nH]nc3C2)cc1Br ZINC000602569540 521415746 /nfs/dbraw/zinc/41/57/46/521415746.db2.gz SXTLQMGGWGWQQC-MRVPVSSYSA-N 0 3 357.233 2.789 20 5 FFBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3ccccc3OCCCCO)CC2)n1 ZINC000602641485 521451580 /nfs/dbraw/zinc/45/15/80/521451580.db2.gz SDUJBEHXQBWWQZ-UHFFFAOYSA-N 0 3 374.441 2.780 20 5 FFBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000594195161 521460502 /nfs/dbraw/zinc/46/05/02/521460502.db2.gz CNIPVYMHZYGHGK-DOTOQJQBSA-N 0 3 354.410 2.890 20 5 FFBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000594199243 521465285 /nfs/dbraw/zinc/46/52/85/521465285.db2.gz IHWVGXQXVXBBLG-DOTOQJQBSA-N 0 3 358.442 2.916 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(OCc2ccccc2F)CC1 ZINC000602798455 521541075 /nfs/dbraw/zinc/54/10/75/521541075.db2.gz OCRGCXNLHIHFPT-UHFFFAOYSA-N 0 3 362.405 2.920 20 5 FFBDHN CN(C)CCn1cc(Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)cn1 ZINC000619527079 521753337 /nfs/dbraw/zinc/75/33/37/521753337.db2.gz CVROEWGOPOSDKR-UHFFFAOYSA-N 0 3 370.388 2.720 20 5 FFBDHN Cc1cc(NCCCN2CCN(Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000470867459 560992576 /nfs/dbraw/zinc/99/25/76/560992576.db2.gz SGLDOMAASFMSBO-UHFFFAOYSA-N 0 3 369.469 2.918 20 5 FFBDHN C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@H]1c1ccccc1 ZINC000826028544 607967704 /nfs/dbraw/zinc/96/77/04/607967704.db2.gz CBLQFYPAKILVJE-DLBZAZTESA-N 0 3 365.397 2.632 20 5 FFBDHN C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@H]1c1ccccc1 ZINC000826028544 607967705 /nfs/dbraw/zinc/96/77/05/607967705.db2.gz CBLQFYPAKILVJE-DLBZAZTESA-N 0 3 365.397 2.632 20 5 FFBDHN C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@H]1c1ccccc1 ZINC000826028544 607967706 /nfs/dbraw/zinc/96/77/06/607967706.db2.gz CBLQFYPAKILVJE-DLBZAZTESA-N 0 3 365.397 2.632 20 5 FFBDHN C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@H]1c1ccccc1 ZINC000826028544 607967707 /nfs/dbraw/zinc/96/77/07/607967707.db2.gz CBLQFYPAKILVJE-DLBZAZTESA-N 0 3 365.397 2.632 20 5 FFBDHN C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)N1CCCC1 ZINC000159143894 728901640 /nfs/dbraw/zinc/90/16/40/728901640.db2.gz ACXJCFROBNCIKB-SNVBAGLBSA-N 0 3 356.220 2.571 20 5 FFBDHN CN(C[C@@H]1CCCN1C)C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000092627252 728469617 /nfs/dbraw/zinc/46/96/17/728469617.db2.gz ICJCTHBHEIUJJC-NSHDSACASA-N 0 3 356.220 2.524 20 5 FFBDHN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@@H](N2CCCC2)C1 ZINC000129245858 728710731 /nfs/dbraw/zinc/71/07/31/728710731.db2.gz HPTMRMDYHNYYJT-CYBMUJFWSA-N 0 3 357.332 2.924 20 5 FFBDHN C[C@@H](CNC(=O)OC(C)(C)C)N(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000171955007 729016154 /nfs/dbraw/zinc/01/61/54/729016154.db2.gz AIUKMNUSBYCFJD-ZDUSSCGKSA-N 0 3 353.419 2.819 20 5 FFBDHN O=[N+]([O-])c1ccc(Cl)c(CN2CCN(CC3CCOCC3)CC2)c1 ZINC000172421980 729025152 /nfs/dbraw/zinc/02/51/52/729025152.db2.gz TVQVJYQNDUPJBS-UHFFFAOYSA-N 0 3 353.850 2.792 20 5 FFBDHN CCN(C(=O)c1cccc([N+](=O)[O-])c1Br)[C@H]1CCN(CC)C1 ZINC000857310873 730390840 /nfs/dbraw/zinc/39/08/40/730390840.db2.gz JKBXBYFCOJNYHG-NSHDSACASA-N 0 3 370.247 2.914 20 5 FFBDHN CCC1(N2CCOCC2)CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000860028086 730473256 /nfs/dbraw/zinc/47/32/56/730473256.db2.gz LHVHBLAXFPQSBI-UHFFFAOYSA-N 0 3 351.422 2.811 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1ccns1 ZINC000860054335 730474554 /nfs/dbraw/zinc/47/45/54/730474554.db2.gz JTOISKVDUHIQDM-JTQLQIEISA-N 0 3 350.400 2.739 20 5 FFBDHN C[C@@H](CN(C)CCOc1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000860098183 730476144 /nfs/dbraw/zinc/47/61/44/730476144.db2.gz MCJRLEVQCQEEFE-ZDUSSCGKSA-N 0 3 353.419 2.819 20 5 FFBDHN CCc1nn(C)c(OC)c1CN[C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866288737 731046575 /nfs/dbraw/zinc/04/65/75/731046575.db2.gz LVVGGMTXGQLHMH-NSHDSACASA-N 0 3 350.394 2.759 20 5 FFBDHN CC(C)[C@H](CN[C@H](C)c1c(F)cccc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000872020345 731721153 /nfs/dbraw/zinc/72/11/53/731721153.db2.gz GJNAAKDXYZWAGP-PBHICJAKSA-N 0 3 352.454 2.657 20 5 FFBDHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(C(F)(F)F)nc1 ZINC000880099415 732845930 /nfs/dbraw/zinc/84/59/30/732845930.db2.gz OAAJWRZBQIBJTB-SNVBAGLBSA-N 0 3 356.304 2.521 20 5 FFBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000888288153 734032267 /nfs/dbraw/zinc/03/22/67/734032267.db2.gz CQBGLVFOVSDULT-VXGBXAGGSA-N 0 3 368.821 2.541 20 5 FFBDHN CC(C)[C@@H](N)c1cn(Cc2c(Br)cccc2[N+](=O)[O-])nn1 ZINC000900640965 735672906 /nfs/dbraw/zinc/67/29/06/735672906.db2.gz JIZBXOSLFBAEMB-CYBMUJFWSA-N 0 3 354.208 2.653 20 5 FFBDHN CCC[C@H](N)c1cn(Cc2c(Br)cccc2[N+](=O)[O-])nn1 ZINC000900641169 735673427 /nfs/dbraw/zinc/67/34/27/735673427.db2.gz MMQSPPKBHSEQKP-NSHDSACASA-N 0 3 354.208 2.797 20 5 FFBDHN COc1cc([C@H](C)NC[C@@H]2CC3(CO2)CCOCC3)cc([N+](=O)[O-])c1 ZINC000903212138 736055905 /nfs/dbraw/zinc/05/59/05/736055905.db2.gz KILYREXCCFVDPC-GUYCJALGSA-N 0 3 350.415 2.840 20 5 FFBDHN COc1cc([C@H](C)NC[C@H]2CCC3(CCOCC3)O2)cc([N+](=O)[O-])c1 ZINC000903226710 736060100 /nfs/dbraw/zinc/06/01/00/736060100.db2.gz MGOQTDBXWRNICK-XJKSGUPXSA-N 0 3 350.415 2.982 20 5 FFBDHN CCN1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000910282766 737052284 /nfs/dbraw/zinc/05/22/84/737052284.db2.gz HZMYEFLEHIEHQK-LLVKDONJSA-N 0 3 370.247 2.914 20 5 FFBDHN CCOC(=O)C[C@](C)(NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC000792881230 739715047 /nfs/dbraw/zinc/71/50/47/739715047.db2.gz YKMFHQOWSKZMEO-INIZCTEOSA-N 0 3 353.375 2.961 20 5 FFBDHN C[C@@H](NC[C@H](O)CCNC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000794458970 739894495 /nfs/dbraw/zinc/89/44/95/739894495.db2.gz RMMMCHSYSNAHIB-IUODEOHRSA-N 0 3 353.419 2.521 20 5 FFBDHN CC(C)OCCN1CCC(Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804531102 740881206 /nfs/dbraw/zinc/88/12/06/740881206.db2.gz RHYFGDTYPSLGGD-UHFFFAOYSA-N 0 3 352.391 2.804 20 5 FFBDHN Cc1ccc(OCc2nc(CC(=O)OCC(C)[N+](=O)[O-])cs2)cc1 ZINC000813106104 741677258 /nfs/dbraw/zinc/67/72/58/741677258.db2.gz YLQJAJUYONMMHK-GFCCVEGCSA-N 0 3 350.396 2.781 20 5 FFBDHN COC1CCN(C(C)(C)CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000825764346 743324914 /nfs/dbraw/zinc/32/49/14/743324914.db2.gz JMZYCHNSTDPFGL-UHFFFAOYSA-N 0 3 369.849 2.867 20 5 FFBDHN CO[C@@](C)([C@@H](C)NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000839638098 746878451 /nfs/dbraw/zinc/87/84/51/746878451.db2.gz HPJZPADSXFCIPF-HWPZZCPQSA-N 0 3 355.822 2.980 20 5 FFBDHN CC(COC(=O)c1cc(Br)ccc1OC(F)F)[N+](=O)[O-] ZINC000842802240 747692930 /nfs/dbraw/zinc/69/29/30/747692930.db2.gz UENLDOMEQNVTOL-ZCFIWIBFSA-N 0 3 354.103 2.873 20 5 FFBDHN CC([C@H](OC(=O)CCNC(=O)C(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845872538 748340967 /nfs/dbraw/zinc/34/09/67/748340967.db2.gz JGGXSLCYECHPNZ-NHYWBVRUSA-N 0 3 354.378 2.628 20 5 FFBDHN COC(=O)c1coc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000845879583 748343531 /nfs/dbraw/zinc/34/35/31/748343531.db2.gz VYWDTEWGJGIQJR-LKFCYVNXSA-N 0 3 351.286 2.769 20 5 FFBDHN CC(C)CC(=O)NCCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845879468 748343545 /nfs/dbraw/zinc/34/35/45/748343545.db2.gz VKPRTHHQFNDLRQ-PXAZEXFGSA-N 0 3 354.378 2.628 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000134940073 960547895 /nfs/dbraw/zinc/54/78/95/960547895.db2.gz FTDYDGGAQKIUSB-CRAIPNDOSA-N 0 3 353.422 2.917 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCc1ccnc(N2CCN(C)CC2)c1 ZINC000873014499 1013348024 /nfs/dbraw/zinc/34/80/24/1013348024.db2.gz RQWMYPHBBNTNNF-UHFFFAOYSA-N 0 3 369.469 2.648 20 5 FFBDHN COC(=O)[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)[C@@H]([C@H]2CCCO2)C1 ZINC000933181438 963675784 /nfs/dbraw/zinc/67/57/84/963675784.db2.gz QUJQXMHEDBSXKE-KBAYOESNSA-N 0 3 362.426 2.570 20 5 FFBDHN O=[N+]([O-])c1cnc2ccc(F)cc2c1N1CCCN(C[C@H]2CCCO2)CC1 ZINC000891741169 964996983 /nfs/dbraw/zinc/99/69/83/964996983.db2.gz LRECGCLYNBONSX-OAHLLOKOSA-N 0 3 374.416 2.973 20 5 FFBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000843758280 965660800 /nfs/dbraw/zinc/66/08/00/965660800.db2.gz NFBVGNAGDNKADF-OAHLLOKOSA-N 0 3 359.401 2.945 20 5 FFBDHN C[C@@H](NCCC(=O)NCC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001176029290 1013614153 /nfs/dbraw/zinc/61/41/53/1013614153.db2.gz SRBGZHSFTBCUCG-CQSZACIVSA-N 0 3 355.394 2.635 20 5 FFBDHN Nc1ccc2n(-c3cnn(CCN4CCCC4)c3)c3ccccc3cc-2c1=O ZINC001176562436 1013733010 /nfs/dbraw/zinc/73/30/10/1013733010.db2.gz DCMYPVDDQZCVLZ-UHFFFAOYSA-N 0 3 373.460 2.970 20 5 FFBDHN O=[N+]([O-])c1cnc2ccc(F)cc2c1N1CCN(CC2CCOCC2)CC1 ZINC000892602858 969567187 /nfs/dbraw/zinc/56/71/87/969567187.db2.gz GLGRPGGQQPGZGN-UHFFFAOYSA-N 0 3 374.416 2.831 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000875745069 1014070842 /nfs/dbraw/zinc/07/08/42/1014070842.db2.gz HRXTUZHZPANRSR-IAGOWNOFSA-N 0 3 371.441 2.565 20 5 FFBDHN NC(=O)c1ccccc1N1CC[C@@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783627701 979348942 /nfs/dbraw/zinc/34/89/42/979348942.db2.gz HLYOKGTUKKFZOG-CYBMUJFWSA-N 0 3 374.828 2.716 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000878178680 1014902398 /nfs/dbraw/zinc/90/23/98/1014902398.db2.gz OMRIJYRDNNOXCE-QGZVFWFLSA-N 0 3 370.409 2.929 20 5 FFBDHN C[C@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000173508341 985854351 /nfs/dbraw/zinc/85/43/51/985854351.db2.gz QMFHOEOBXJYGCZ-HNNXBMFYSA-N 0 3 368.437 2.914 20 5 FFBDHN COc1cccc([C@@H](CNc2nc3ccccn3c2[N+](=O)[O-])N(C)C)c1 ZINC000029848063 986461103 /nfs/dbraw/zinc/46/11/03/986461103.db2.gz QSWYFTZGRYFWFB-OAHLLOKOSA-N 0 3 355.398 2.966 20 5 FFBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000923310201 991062120 /nfs/dbraw/zinc/06/21/20/991062120.db2.gz YWHCGTDMLGYOBR-DOTOQJQBSA-N 0 3 372.469 2.894 20 5 FFBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000808795330 994270586 /nfs/dbraw/zinc/27/05/86/994270586.db2.gz TYRQLRJHOUPSBY-UXHICEINSA-N 0 3 374.412 2.694 20 5 FFBDHN CC(COC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1)[N+](=O)[O-] ZINC000813107427 995624008 /nfs/dbraw/zinc/62/40/08/995624008.db2.gz NEELPQIIBCEBAZ-ZBFHGGJFSA-N 0 3 370.405 2.900 20 5 FFBDHN CC(COC(=O)c1ccccc1OCc1cn2ccccc2n1)[N+](=O)[O-] ZINC000813108326 995624123 /nfs/dbraw/zinc/62/41/23/995624123.db2.gz DGOWHHHYILCMOC-ZDUSSCGKSA-N 0 3 355.350 2.735 20 5 FFBDHN CC(COC(=O)[C@@H]1CCCC[C@H]1C(=O)N1c2ccccc2C[C@H]1C)[N+](=O)[O-] ZINC000813110502 995625510 /nfs/dbraw/zinc/62/55/10/995625510.db2.gz BZTHALNIOUJWTA-YALNPMBYSA-N 0 3 374.437 2.979 20 5 FFBDHN CC([C@@H](OC(=O)[C@H](C)NC(=O)C1CCCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845873759 998676303 /nfs/dbraw/zinc/67/63/03/998676303.db2.gz FZRLTZRNOBJFPZ-HWWQOWPSSA-N 0 3 366.389 2.770 20 5 FFBDHN CC([C@@H](OC(=O)[C@H](C)NC(=O)C1CCCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845873761 998676414 /nfs/dbraw/zinc/67/64/14/998676414.db2.gz FZRLTZRNOBJFPZ-MQIPJXDCSA-N 0 3 366.389 2.770 20 5 FFBDHN Cc1nn(C)c(C)c1OCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845875391 998677244 /nfs/dbraw/zinc/67/72/44/998677244.db2.gz KMQIIMSUTDTBSG-SJCJKPOMSA-N 0 3 365.361 2.505 20 5 FFBDHN CC([C@@H](OC(=O)c1ccc(N2CCCC2)nn1)c1ccccc1F)[N+](=O)[O-] ZINC000845878888 998677797 /nfs/dbraw/zinc/67/77/97/998677797.db2.gz WLOISGXPFHQKRP-SJKOYZFVSA-N 0 3 374.372 2.779 20 5 FFBDHN Cc1c(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])nn2c1OCCC2 ZINC000845882677 998678420 /nfs/dbraw/zinc/67/84/20/998678420.db2.gz PMYSPVAEZFLNAG-NHYWBVRUSA-N 0 3 363.345 2.676 20 5 FFBDHN CCOC(=O)c1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])on1 ZINC000845882642 998678856 /nfs/dbraw/zinc/67/88/56/998678856.db2.gz PGYPJJGTDJBSFF-YMTOWFKASA-N 0 3 366.301 2.554 20 5 FFBDHN O=[N+]([O-])c1ccc(F)cc1CN[C@@]1(CO)CCCN(Cc2ccccc2)C1 ZINC000734000519 999169394 /nfs/dbraw/zinc/16/93/94/999169394.db2.gz QRKYNJITGXCYHE-FQEVSTJZSA-N 0 3 373.428 2.851 20 5 FFBDHN Cc1ccc(N2CCC[C@@H](NC[C@H](O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000743463890 999820251 /nfs/dbraw/zinc/82/02/51/999820251.db2.gz YUGJAAOREQJHGE-MOPGFXCFSA-N 0 3 369.421 2.722 20 5 FFBDHN C[C@@H]1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000744798054 999876155 /nfs/dbraw/zinc/87/61/55/999876155.db2.gz FPTKPZOMHQICHL-OAHLLOKOSA-N 0 3 360.458 2.657 20 5 FFBDHN Cc1cccc(CN(CCN(C)C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000103114263 1000027276 /nfs/dbraw/zinc/02/72/76/1000027276.db2.gz LBIZJNWQYZPPKZ-UHFFFAOYSA-N 0 3 356.426 2.689 20 5 FFBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000786821107 1001633083 /nfs/dbraw/zinc/63/30/83/1001633083.db2.gz YIIUXHYSDUTOCI-ZFWWWQNUSA-N 0 3 354.410 2.742 20 5 FFBDHN CC(C)(C)OC(=O)NC(C)(C)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000787288409 1001680236 /nfs/dbraw/zinc/68/02/36/1001680236.db2.gz KYRAKSFXRJNEOP-UHFFFAOYSA-N 0 3 367.450 2.732 20 5 FFBDHN Cc1nccn1-c1ccc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC000788556990 1001819700 /nfs/dbraw/zinc/81/97/00/1001819700.db2.gz IXXLERLQKKICEG-GFCCVEGCSA-N 0 3 352.398 2.917 20 5 FFBDHN C[C@H](CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC001184839252 1002734861 /nfs/dbraw/zinc/73/48/61/1002734861.db2.gz FOODNWFTRLULNS-ZIAGYGMSSA-N 0 3 358.442 2.979 20 5 FFBDHN CCc1ncnc2c1CCN([C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])CC2 ZINC001170341524 1003130444 /nfs/dbraw/zinc/13/04/44/1003130444.db2.gz QYTYRBBJRAPBGA-AWEZNQCLSA-N 0 3 370.453 2.988 20 5 FFBDHN CCC[N@H+](C)CC(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001192895485 1004313496 /nfs/dbraw/zinc/31/34/96/1004313496.db2.gz MKEVCOKHLRXPCC-UHFFFAOYSA-N 0 3 363.867 2.647 20 5 FFBDHN CCC[N@@H+](C)CC(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001192895485 1004313503 /nfs/dbraw/zinc/31/35/03/1004313503.db2.gz MKEVCOKHLRXPCC-UHFFFAOYSA-N 0 3 363.867 2.647 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC001190569622 1007700827 /nfs/dbraw/zinc/70/08/27/1007700827.db2.gz SMTHQWSMEFDLJC-HNNXBMFYSA-N 0 3 369.487 2.692 20 5 FFBDHN O=[N+]([O-])c1c([N-][C@@H](c2ccccc2)C(F)(F)F)ncnc1C1C[NH2+]C1 ZINC001170881001 1007785427 /nfs/dbraw/zinc/78/54/27/1007785427.db2.gz BSIYNWYQYMACFA-ZDUSSCGKSA-N 0 3 353.304 2.787 20 5 FFBDHN Cc1ccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)c(O[C@@H]2CCOC2)c1 ZINC000819157849 1008046119 /nfs/dbraw/zinc/04/61/19/1008046119.db2.gz YDEKXEVMCYDPEW-MOPGFXCFSA-N 0 3 372.421 2.894 20 5 FFBDHN Cc1ccc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)c(N2CCCC2)n1 ZINC000819221303 1008077390 /nfs/dbraw/zinc/07/73/90/1008077390.db2.gz XGJNDWRKMUVGDS-GOSISDBHSA-N 0 3 356.426 2.722 20 5 FFBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001136409074 1008407286 /nfs/dbraw/zinc/40/72/86/1008407286.db2.gz IOZTWRRHNUFPHM-DZGCQCFKSA-N 0 3 354.410 2.742 20 5 FFBDHN Cc1cc(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c(N)c([N+](=O)[O-])c1 ZINC000137512797 1008617290 /nfs/dbraw/zinc/61/72/90/1008617290.db2.gz LBFADFHJRCWQJZ-GOEBONIOSA-N 0 3 368.437 2.878 20 5 FFBDHN COc1cc(CNc2cccc(OCC[NH+](C)C)c2)c([N+](=O)[O-])cc1[O-] ZINC001178051376 1008840883 /nfs/dbraw/zinc/84/08/83/1008840883.db2.gz KMNNFOSGRGUVCO-UHFFFAOYSA-N 0 3 361.398 2.862 20 5 FFBDHN Cc1cnc(N2CCN([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)nc1 ZINC001172914135 1012097014 /nfs/dbraw/zinc/09/70/14/1012097014.db2.gz ZUZJYEJNCYXQBS-SFHVURJKSA-N 0 3 367.453 2.763 20 5 FFBDHN Cc1nocc1CNC1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173006354 1012174211 /nfs/dbraw/zinc/17/42/11/1012174211.db2.gz RWRZKVGGLHDYFJ-UHFFFAOYSA-N 0 3 352.341 2.928 20 5 FFBDHN C[C@@H](N)c1ccn(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)n1 ZINC001173008049 1012176042 /nfs/dbraw/zinc/17/60/42/1012176042.db2.gz KSHJYLSAHPVJAR-SNVBAGLBSA-N 0 3 351.357 2.931 20 5 FFBDHN CC([C@@H](OC(=O)c1cncc(N2CCCC2)n1)c1ccccc1F)[N+](=O)[O-] ZINC000870454511 1012389553 /nfs/dbraw/zinc/38/95/53/1012389553.db2.gz LXWNBZGZARNDRV-YVEFUNNKSA-N 0 3 374.372 2.779 20 5 FFBDHN CC[C@H](C)NC(=O)c1cccc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000749676898 1021019605 /nfs/dbraw/zinc/01/96/05/1021019605.db2.gz MZQZMTVFQKIVJZ-IFXJQAMLSA-N 0 3 371.437 2.946 20 5 FFBDHN Cc1cccc(NC[C@@H]2CCCN2C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC001116351699 1021175968 /nfs/dbraw/zinc/17/59/68/1021175968.db2.gz ISHFVUOFCWVLBW-ZWKOTPCHSA-N 0 3 356.426 2.908 20 5 FFBDHN CCC(C)(C)c1cc([N+](=O)[O-])c(OC[C@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC001218175757 1033032363 /nfs/dbraw/zinc/03/23/63/1033032363.db2.gz FSSNJBFPYFCIJF-GFCCVEGCSA-N 0 3 353.375 2.558 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H](CO)CC1CCOCC1 ZINC001118488875 1022259531 /nfs/dbraw/zinc/25/95/31/1022259531.db2.gz APKJZDNVGURFMH-DZGCQCFKSA-N 0 3 352.431 2.679 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000757790932 1023860563 /nfs/dbraw/zinc/86/05/63/1023860563.db2.gz SVCVSRODCJIYGX-RNCFNFMXSA-N 0 3 370.356 2.800 20 5 FFBDHN O=C(Nc1ccc([C@@H]2CNCCO2)cc1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001122071701 1024317510 /nfs/dbraw/zinc/31/75/10/1024317510.db2.gz YLWSAFAMKIHYAZ-OTWHNJEPSA-N 0 3 367.405 2.998 20 5 FFBDHN COc1cccc(C(=O)N2C[C@H](N(C)C)Cc3ccccc32)c1[N+](=O)[O-] ZINC000194325557 1024780165 /nfs/dbraw/zinc/78/01/65/1024780165.db2.gz NXCPNUHKDPVXLD-CQSZACIVSA-N 0 3 355.394 2.737 20 5 FFBDHN CN(CCOC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)Cc1ccccc1 ZINC000837386018 1025763674 /nfs/dbraw/zinc/76/36/74/1025763674.db2.gz JFTJIFNAHUJNGX-UHFFFAOYSA-N 0 3 372.377 2.655 20 5 FFBDHN CCOC(=O)c1cnc(-n2c3ccccc3nc2[C@@H](C)N)c([N+](=O)[O-])c1 ZINC001162757583 1028647171 /nfs/dbraw/zinc/64/71/71/1028647171.db2.gz BKQBMNURWZLDPT-SNVBAGLBSA-N 0 3 355.354 2.525 20 5 FFBDHN C[C@H]1[C@H](NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CCN1C ZINC001155894206 1028962761 /nfs/dbraw/zinc/96/27/61/1028962761.db2.gz SHDSLIHJCBPEPE-QSJFSLAZSA-N 0 3 374.485 2.900 20 5 FFBDHN COc1nc(N(C)[C@H]2CN(Cc3ccccc3)CC[C@@H]2C)ncc1[N+](=O)[O-] ZINC001156333221 1029151906 /nfs/dbraw/zinc/15/19/06/1029151906.db2.gz XQFHDLZIBPQBPZ-YOEHRIQHSA-N 0 3 371.441 2.740 20 5 FFBDHN CN(C)Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c(F)c1 ZINC001142143145 1030086598 /nfs/dbraw/zinc/08/65/98/1030086598.db2.gz OMLQIIKNHWNQOG-UHFFFAOYSA-N 0 3 365.336 2.952 20 5 FFBDHN Cc1ccnc(N2CCCn3cnc(CNC4CCC4)c3C2)c1[N+](=O)[O-] ZINC001165908563 1030166448 /nfs/dbraw/zinc/16/64/48/1030166448.db2.gz LGHIZHSEXVRRBS-UHFFFAOYSA-N 0 3 356.430 2.547 20 5 FFBDHN CC(C)(C)OC(=O)NC1(CNCc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000697044081 1030189583 /nfs/dbraw/zinc/18/95/83/1030189583.db2.gz ZFVSKOWXPJEIQH-UHFFFAOYSA-N 0 3 365.430 2.758 20 5 FFBDHN COC(=O)c1cccc2[n-]c([C@@](F)(Cl)O[C@H](C)C[N+](C)(C)C)nc21 ZINC001223402739 1033430063 /nfs/dbraw/zinc/43/00/63/1033430063.db2.gz HDPKBOWWQBHCAB-HWPZZCPQSA-O 0 3 358.821 2.779 20 5 FFBDHN COC(=O)c1cccc2nc([C@@](F)(Cl)O[C@H](C)C[N+](C)(C)C)[n-]c21 ZINC001223402739 1033430068 /nfs/dbraw/zinc/43/00/68/1033430068.db2.gz HDPKBOWWQBHCAB-HWPZZCPQSA-O 0 3 358.821 2.779 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000830456880 1033622234 /nfs/dbraw/zinc/62/22/34/1033622234.db2.gz MWQPOFULZMFYPN-UKRRQHHQSA-N 0 3 367.446 2.782 20 5 FFBDHN CN1CCc2cc(O[C@@H](C[N+](=O)[O-])c3ccc4c(c3)OCO4)ccc2C1 ZINC001228945026 1036421122 /nfs/dbraw/zinc/42/11/22/1036421122.db2.gz RZKYGHHTQXDGSA-IBGZPJMESA-N 0 3 356.378 2.800 20 5 FFBDHN COc1cc(CN(C)C)cc(F)c1O[C@@H](C)Cn1c(C)ncc1[N+](=O)[O-] ZINC001234242458 1036972053 /nfs/dbraw/zinc/97/20/53/1036972053.db2.gz BNFKDGMZBQYTRC-NSHDSACASA-N 0 3 366.393 2.777 20 5 FFBDHN CN(C)c1cccc(-c2noc(C[C@@H](N)c3ccccc3[N+](=O)[O-])n2)c1 ZINC001249342718 1040692464 /nfs/dbraw/zinc/69/24/64/1040692464.db2.gz RVCZRMVZCWXQQF-OAHLLOKOSA-N 0 3 353.382 2.953 20 5 FFBDHN CCOc1nccc(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001254470947 1040737111 /nfs/dbraw/zinc/73/71/11/1040737111.db2.gz XTAQLUPUERSUJO-UHFFFAOYSA-N 0 3 357.414 2.542 20 5 FFBDHN CC(C)Oc1nccc(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001254469902 1040737469 /nfs/dbraw/zinc/73/74/69/1040737469.db2.gz BQWRVCKALUPYAS-UHFFFAOYSA-N 0 3 371.441 2.931 20 5 FFBDHN COc1cc(C)nc(O[C@H]2CCN([C@@H](C)Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC001254568510 1040804748 /nfs/dbraw/zinc/80/47/48/1040804748.db2.gz GKHPSJPTXJXPQF-HOCLYGCPSA-N 0 3 372.425 2.786 20 5 FFBDHN CCN1CCN(C[C@H](C)CNc2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001331535494 1047989550 /nfs/dbraw/zinc/98/95/50/1047989550.db2.gz GWATXKDHEQRAOB-OAHLLOKOSA-N 0 3 357.458 2.829 20 5 FFBDHN Cc1ccc([C@H](C)NC(=O)c2cccc3c2OCCNC3)cc1[N+](=O)[O-] ZINC001340767143 1051120424 /nfs/dbraw/zinc/12/04/24/1051120424.db2.gz KYSBKFMXYCJCBN-ZDUSSCGKSA-N 0 3 355.394 2.876 20 5 FFBDHN O=C(c1ccc([N+](=O)[O-])cc1)N1C[C@@H](C[C@@H]2COCCN2)c2ccccc21 ZINC001341360665 1051719354 /nfs/dbraw/zinc/71/93/54/1051719354.db2.gz QFMZDLFFTSYLGQ-HZPDHXFCSA-N 0 3 367.405 2.717 20 5 FFBDHN CC[C@H](c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC001306979637 1052230159 /nfs/dbraw/zinc/23/01/59/1052230159.db2.gz YJXHWPWUOSGKLG-GOSISDBHSA-N 0 3 368.437 2.967 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCc2cccnc2N2CCCCC2)cc1 ZINC001346123936 1052758904 /nfs/dbraw/zinc/75/89/04/1052758904.db2.gz XNRVXCXOXAZQHB-SFHVURJKSA-N 0 3 356.426 2.803 20 5 FFBDHN COc1c([O-])ccc(C[NH2+]CCc2nc3c(s2)CCCC3)c1[N+](=O)[O-] ZINC001336721891 1054166103 /nfs/dbraw/zinc/16/61/03/1054166103.db2.gz NJVYXPYJVZMPHQ-UHFFFAOYSA-N 0 3 363.439 2.977 20 5 FFBDHN COc1c(O)ccc(CNCCc2nc3c(s2)CCCC3)c1[N+](=O)[O-] ZINC001336721891 1054166105 /nfs/dbraw/zinc/16/61/05/1054166105.db2.gz NJVYXPYJVZMPHQ-UHFFFAOYSA-N 0 3 363.439 2.977 20 5 FFBDHN C[C@H]1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1(C)C ZINC001473365745 1056253606 /nfs/dbraw/zinc/25/36/06/1056253606.db2.gz UCFDWPHQFDSRMP-INIZCTEOSA-N 0 3 374.485 2.611 20 5 FFBDHN CCN1C[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C(C)(C)C1 ZINC001472058974 1058335662 /nfs/dbraw/zinc/33/56/62/1058335662.db2.gz RHQWUAHBVGMCKY-LBPRGKRZSA-N 0 3 370.247 2.817 20 5 FFBDHN C[C@H](COC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCCCC1 ZINC000847961162 1058524191 /nfs/dbraw/zinc/52/41/91/1058524191.db2.gz SWFQBQGMRSPILX-CQSZACIVSA-N 0 3 358.398 2.812 20 5 FFBDHN CCn1c([C@H]2CCCN(C)C2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] ZINC001521138571 1060423958 /nfs/dbraw/zinc/42/39/58/1060423958.db2.gz MCCAWDRYWKIPFY-INIZCTEOSA-N 0 3 372.473 2.694 20 5 FFBDHN O=C1[C@H](N2CCCC[C@@H]([C@H]3CCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC001460925362 1061152886 /nfs/dbraw/zinc/15/28/86/1061152886.db2.gz SUKCCOSTYJWICJ-JTDSTZFVSA-N 0 3 373.453 2.839 20 5 FFBDHN CN(CCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC001526656348 1061206532 /nfs/dbraw/zinc/20/65/32/1061206532.db2.gz PZENGRXWGLQVCU-MOPGFXCFSA-N 0 3 353.422 2.947 20 5 FFBDHN O=C(Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001528364761 1061879610 /nfs/dbraw/zinc/87/96/10/1061879610.db2.gz ODYLSMDVPIEMTC-CQSZACIVSA-N 0 3 371.349 2.931 20 5 FFBDHN CCN1CCCC[C@@H]1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001465065131 1062961110 /nfs/dbraw/zinc/96/11/10/1062961110.db2.gz FYZQBMHZHMAQPK-SECBINFHSA-N 0 3 358.801 2.574 20 5 FFBDHN Cc1cccc(CN2CC[C@@H](NC(=O)Cc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001470711033 1064420598 /nfs/dbraw/zinc/42/05/98/1064420598.db2.gz JOWRZBRWIGQHOH-GOSISDBHSA-N 0 3 353.422 2.836 20 5 FFBDHN CC(C)(C(=O)Nc1ccnc([C@H]2CCCN2)n1)c1ccccc1[N+](=O)[O-] ZINC001575096336 1078106099 /nfs/dbraw/zinc/10/60/99/1078106099.db2.gz ANYMOTMNPZLWNH-CYBMUJFWSA-N 0 3 355.398 2.726 20 5 FFBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCNCC12CCCCC2 ZINC001580578193 1078829195 /nfs/dbraw/zinc/82/91/95/1078829195.db2.gz BFRVAILVYLMYQD-UHFFFAOYSA-N 0 3 356.426 2.684 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)n1 ZINC001556897480 1075786807 /nfs/dbraw/zinc/78/68/07/1075786807.db2.gz LYDAPZQLQGEOOV-RHSMWYFYSA-N 0 3 354.410 2.691 20 5 FFBDHN COCC[C@@H](CNCc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC001560283064 1076260195 /nfs/dbraw/zinc/26/01/95/1076260195.db2.gz VZWGHNCYOTVCDO-AWEZNQCLSA-N 0 3 353.419 2.614 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)n1 ZINC001568116871 1077072246 /nfs/dbraw/zinc/07/22/46/1077072246.db2.gz HJPQOHUHZVAWTB-MRXNPFEDSA-N 0 3 362.817 2.984 20 5 FFBDHN C[C@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+](C)C ZINC001589980798 1080919854 /nfs/dbraw/zinc/91/98/54/1080919854.db2.gz FEOQNZQPSFVWAK-YVEFUNNKSA-N 0 3 367.413 2.878 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000377088850 512118365 /nfs/dbraw/zinc/11/83/65/512118365.db2.gz AOTKPGYOCGNEIR-KSSFIOAISA-N 0 3 354.410 2.691 20 5 FFBDHN O=C(NCC1CCN(c2ccncc2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000093064857 250014702 /nfs/dbraw/zinc/01/47/02/250014702.db2.gz ZJVWFWGPXRJIOH-UHFFFAOYSA-N 0 3 358.373 2.775 20 5 FFBDHN COc1cc(CN2CC[C@@H](CO)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000092764795 250000446 /nfs/dbraw/zinc/00/04/46/250000446.db2.gz LSVBOGYFPZYKIF-QGZVFWFLSA-N 0 3 372.421 2.997 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(CCO)Cc1ccccc1 ZINC000103140587 250135970 /nfs/dbraw/zinc/13/59/70/250135970.db2.gz YSEAIARABHDEHT-UHFFFAOYSA-N 0 3 357.410 2.726 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)NCCN2CCCCCC2)cc1SC ZINC000103188390 250137715 /nfs/dbraw/zinc/13/77/15/250137715.db2.gz XDQWORILDRYJCB-UHFFFAOYSA-N 0 3 367.471 2.931 20 5 FFBDHN O=C(NC1CCN(C2CC2)CC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000162913494 251159190 /nfs/dbraw/zinc/15/91/90/251159190.db2.gz WVYCIGGQQRFHAV-UHFFFAOYSA-N 0 3 358.442 2.896 20 5 FFBDHN Cc1ccc(NC(=O)NC2CCN(CCOC(C)C)CC2)cc1[N+](=O)[O-] ZINC000175555993 251227090 /nfs/dbraw/zinc/22/70/90/251227090.db2.gz UGQDWTGTWHBSKD-UHFFFAOYSA-N 0 3 364.446 2.914 20 5 FFBDHN C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000272668363 252095177 /nfs/dbraw/zinc/09/51/77/252095177.db2.gz IGPRLCWYOWBAGN-SNVBAGLBSA-N 0 3 368.231 2.738 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)cnc1NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000273067440 252207803 /nfs/dbraw/zinc/20/78/03/252207803.db2.gz FBCOBHXGVIMFAZ-OAHLLOKOSA-N 0 3 362.817 2.822 20 5 FFBDHN CN(C)CCc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000275919139 256059141 /nfs/dbraw/zinc/05/91/41/256059141.db2.gz WPMYCCLDSJFPMJ-UHFFFAOYSA-N 0 3 361.373 2.856 20 5 FFBDHN C[C@H]1C[C@@H](N2CCCC2)CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000285763673 257003631 /nfs/dbraw/zinc/00/36/31/257003631.db2.gz ZQFMTFAEEFNTCE-GXTWGEPZSA-N 0 3 366.849 2.745 20 5 FFBDHN CN(C)[C@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000278960343 256366726 /nfs/dbraw/zinc/36/67/26/256366726.db2.gz GNIGKHJVEDZCAR-ZDUSSCGKSA-N 0 3 374.363 2.849 20 5 FFBDHN CS[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@@H]1N(C)C ZINC000289524485 257285756 /nfs/dbraw/zinc/28/57/56/257285756.db2.gz CNSHQFBXFIOYEU-NWDGAFQWSA-N 0 3 358.851 2.758 20 5 FFBDHN CN1CCC[C@@H](N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)C1 ZINC000301304008 258041459 /nfs/dbraw/zinc/04/14/59/258041459.db2.gz SQMASNPNQUIOJF-CQSZACIVSA-N 0 3 372.391 2.830 20 5 FFBDHN CCN1CCN([C@H](C)CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000302162904 258092245 /nfs/dbraw/zinc/09/22/45/258092245.db2.gz KHNBNTZIMHCONN-OAHLLOKOSA-N 0 3 357.458 2.889 20 5 FFBDHN Cc1nn(C)c(Nc2cccc3c2CCN(CC(C)(C)O)C3)c1[N+](=O)[O-] ZINC000302182692 258093324 /nfs/dbraw/zinc/09/33/24/258093324.db2.gz SFJKQRIPBUIPLM-UHFFFAOYSA-N 0 3 359.430 2.509 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)CCN2 ZINC000302882845 258113832 /nfs/dbraw/zinc/11/38/32/258113832.db2.gz KGOXRUGFHDRWFC-HOTGVXAUSA-N 0 3 368.437 2.610 20 5 FFBDHN COC1CCN(CCNc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301560811 258055888 /nfs/dbraw/zinc/05/58/88/258055888.db2.gz UMUMOIGSBGFVFV-UHFFFAOYSA-N 0 3 358.236 2.880 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000330691301 258168346 /nfs/dbraw/zinc/16/83/46/258168346.db2.gz BCWRWYNUVGNVTC-DOTOQJQBSA-N 0 3 363.458 2.961 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000330836932 258171672 /nfs/dbraw/zinc/17/16/72/258171672.db2.gz TWHIDYZCBKOKAP-CMPLNLGQSA-N 0 3 357.863 2.939 20 5 FFBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NCCCN1CCc2ccccc2C1 ZINC000032399026 506247710 /nfs/dbraw/zinc/24/77/10/506247710.db2.gz RQXVPIUSHRJQAM-UHFFFAOYSA-N 0 3 353.422 2.702 20 5 FFBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000065892027 506387197 /nfs/dbraw/zinc/38/71/97/506387197.db2.gz XFZSNUSJUBUSDO-HUUCEWRRSA-N 0 3 358.442 2.786 20 5 FFBDHN CN(C)CCN(C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1ccccc1 ZINC000066353799 506492032 /nfs/dbraw/zinc/49/20/32/506492032.db2.gz VLWHZGLNMKYHKU-UHFFFAOYSA-N 0 3 371.393 2.574 20 5 FFBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000008122306 506623738 /nfs/dbraw/zinc/62/37/38/506623738.db2.gz PZJROTUFIPNRPC-CQSZACIVSA-N 0 3 372.450 2.819 20 5 FFBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1N1CCOCC1 ZINC000067386624 506856268 /nfs/dbraw/zinc/85/62/68/506856268.db2.gz XAXDSNGQFBLWOL-UHFFFAOYSA-N 0 3 371.437 2.942 20 5 FFBDHN CNC(=O)c1ccc(CN(C)CCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000055899919 506880382 /nfs/dbraw/zinc/88/03/82/506880382.db2.gz ULUAMGXJIMDHIL-UHFFFAOYSA-N 0 3 357.410 2.855 20 5 FFBDHN CN(C)CCOc1cccc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000045814591 507026517 /nfs/dbraw/zinc/02/65/17/507026517.db2.gz YGGAPWXLSJRGHG-UHFFFAOYSA-N 0 3 358.398 2.857 20 5 FFBDHN C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@@H]1N1CCN(C)CC1 ZINC000371305410 512318122 /nfs/dbraw/zinc/31/81/22/512318122.db2.gz YRCVWEZLELBQDW-KDOFPFPSSA-N 0 3 366.893 2.706 20 5 FFBDHN CN(CCCNC(=O)NCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000057005682 507144798 /nfs/dbraw/zinc/14/47/98/507144798.db2.gz HLUPPYXBJWJWRR-UHFFFAOYSA-N 0 3 356.426 2.916 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)C1CCN(C)CC1 ZINC000068265746 507167035 /nfs/dbraw/zinc/16/70/35/507167035.db2.gz CNUQXVXZXADFDJ-NSHDSACASA-N 0 3 355.822 2.568 20 5 FFBDHN C[C@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@H](C)C1 ZINC000058256560 507394637 /nfs/dbraw/zinc/39/46/37/507394637.db2.gz DZEOGBAEUHENHF-LSDHHAIUSA-N 0 3 371.441 2.631 20 5 FFBDHN CC(C)N1CCN([C@H]2CCN(C/C=C/c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000371335376 512339187 /nfs/dbraw/zinc/33/91/87/512339187.db2.gz JVUMXUPXUYEJOG-XZXOBPBMSA-N 0 3 358.486 2.708 20 5 FFBDHN O=C(CN1CCN(C2CCCC2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000027118312 507632384 /nfs/dbraw/zinc/63/23/84/507632384.db2.gz UEMIUBQIRWZMKJ-UHFFFAOYSA-N 0 3 366.849 2.747 20 5 FFBDHN C[C@H](CN1CCCCC1)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000027771749 507683859 /nfs/dbraw/zinc/68/38/59/507683859.db2.gz BFYGIYAGYOXOAW-OAHLLOKOSA-N 0 3 360.458 2.799 20 5 FFBDHN C[C@@H](Nc1ccc(C(=O)NC[C@H](C)N(C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC000063732276 507765177 /nfs/dbraw/zinc/76/51/77/507765177.db2.gz MXQLFATVYPIDJO-UONOGXRCSA-N 0 3 371.441 2.843 20 5 FFBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CCN1CCCC1 ZINC000089900296 507880908 /nfs/dbraw/zinc/88/09/08/507880908.db2.gz CHBCQRZTDRJDOT-LBPRGKRZSA-N 0 3 354.838 2.603 20 5 FFBDHN Cc1cc(C)cc(C2=CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000092427357 508070731 /nfs/dbraw/zinc/07/07/31/508070731.db2.gz QLEIYLLKAQLDDC-IBGZPJMESA-N 0 3 356.426 2.558 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1(N2CCCCC2)CCOCC1 ZINC000111101256 508071104 /nfs/dbraw/zinc/07/11/04/508071104.db2.gz YAYXVSHHDTXGDD-UHFFFAOYSA-N 0 3 361.442 2.668 20 5 FFBDHN CCOc1cc(NC[C@H](C)CN2CCN(CC)CC2)ccc1[N+](=O)[O-] ZINC000092612734 508086626 /nfs/dbraw/zinc/08/66/26/508086626.db2.gz UHPAJISVBKMPFO-HNNXBMFYSA-N 0 3 350.463 2.679 20 5 FFBDHN CN1CCC[C@H](N2CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)C1 ZINC000080640993 508090968 /nfs/dbraw/zinc/09/09/68/508090968.db2.gz AMPFPOQBDYQXMC-AWEZNQCLSA-N 0 3 372.391 2.830 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](c2ncc[nH]2)C1 ZINC000080960253 508117881 /nfs/dbraw/zinc/11/78/81/508117881.db2.gz KMNMWNZZBNVSGB-AWEZNQCLSA-N 0 3 357.414 2.835 20 5 FFBDHN CC[C@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000112536976 508193744 /nfs/dbraw/zinc/19/37/44/508193744.db2.gz HSNVPEJWSFPTGS-KRWDZBQOSA-N 0 3 363.439 2.614 20 5 FFBDHN COc1cc(N2CCC(N3CCN(C(C)C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000114003360 508289955 /nfs/dbraw/zinc/28/99/55/508289955.db2.gz XCUMKUBUEPWBMH-UHFFFAOYSA-N 0 3 362.474 2.598 20 5 FFBDHN C[C@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)N1CCC(C)CC1 ZINC000087136610 508338991 /nfs/dbraw/zinc/33/89/91/508338991.db2.gz SCWMYFGRFPVHRQ-OAHLLOKOSA-N 0 3 360.458 2.783 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](CC[NH+](C)C)C(C)(C)C ZINC000116372171 508504614 /nfs/dbraw/zinc/50/46/14/508504614.db2.gz NTQRPQZDTMWNQN-CQSZACIVSA-N 0 3 357.476 2.548 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N(CCN(C)C)Cc1cccc(O)c1 ZINC000157309046 508550347 /nfs/dbraw/zinc/55/03/47/508550347.db2.gz OOGAZWOQXXUALA-UHFFFAOYSA-N 0 3 357.410 2.813 20 5 FFBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000153410594 508580979 /nfs/dbraw/zinc/58/09/79/508580979.db2.gz PGAASCZHSOQAEH-DGCLKSJQSA-N 0 3 355.822 2.568 20 5 FFBDHN C[C@@H]1CCCN(c2ccc(C(=O)N(C)[C@@H]3CCCN(C)C3)cc2[N+](=O)[O-])C1 ZINC000153986325 508693066 /nfs/dbraw/zinc/69/30/66/508693066.db2.gz FNRGESWEXNJCAR-NVXWUHKLSA-N 0 3 374.485 2.997 20 5 FFBDHN CCN(CCO)Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000158678651 508738357 /nfs/dbraw/zinc/73/83/57/508738357.db2.gz ALXCGTQOARLAET-UHFFFAOYSA-N 0 3 360.410 2.997 20 5 FFBDHN C[C@H]1C[C@H](N(C)C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000124068520 508779106 /nfs/dbraw/zinc/77/91/06/508779106.db2.gz ABLFHMQMMMCBHJ-XJKSGUPXSA-N 0 3 371.441 2.550 20 5 FFBDHN CN(C)CCn1cc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000159477648 508847707 /nfs/dbraw/zinc/84/77/07/508847707.db2.gz GZNFLSUWAYHDTD-UHFFFAOYSA-N 0 3 372.429 2.549 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H](Nc3ccccc3)C2)c1 ZINC000154864581 508871878 /nfs/dbraw/zinc/87/18/78/508871878.db2.gz ZVUUJJYWPSQMHX-MJGOQNOKSA-N 0 3 371.437 2.911 20 5 FFBDHN CN(C)Cc1cccc(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC000159667005 508873925 /nfs/dbraw/zinc/87/39/25/508873925.db2.gz YFZQFIOJMDJZMQ-UHFFFAOYSA-N 0 3 356.426 2.698 20 5 FFBDHN COc1ccc(-c2ccc(CN[C@@H]3CCC(=O)N(C)C3)o2)c([N+](=O)[O-])c1 ZINC000119915876 508889676 /nfs/dbraw/zinc/88/96/76/508889676.db2.gz SANVSFPUSHGBNR-GFCCVEGCSA-N 0 3 359.382 2.574 20 5 FFBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000120927844 509090346 /nfs/dbraw/zinc/09/03/46/509090346.db2.gz BEMANMQPGXHJIF-YGRLFVJLSA-N 0 3 370.247 2.770 20 5 FFBDHN CN(C)[C@@]1(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCSC1 ZINC000436396588 513844761 /nfs/dbraw/zinc/84/47/61/513844761.db2.gz ZTLZCHMGSXYCBM-GFCCVEGCSA-N 0 3 350.366 2.858 20 5 FFBDHN O=C(NCc1ccc2c(c1)CNC2)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000188665617 509201460 /nfs/dbraw/zinc/20/14/60/509201460.db2.gz FMDSSVSNRYECIW-UHFFFAOYSA-N 0 3 366.421 2.728 20 5 FFBDHN C[C@@H](CN(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000248439529 509319518 /nfs/dbraw/zinc/31/95/18/509319518.db2.gz CMNRERSHIQYUIH-QWHCGFSZSA-N 0 3 351.428 2.527 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000163104628 509340338 /nfs/dbraw/zinc/34/03/38/509340338.db2.gz YRCRBZKEIQUJIH-UHFFFAOYSA-N 0 3 357.414 2.894 20 5 FFBDHN C[C@H](CCN1CCN(C)CC1)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000185879978 509403447 /nfs/dbraw/zinc/40/34/47/509403447.db2.gz QKTJFRLFXVORCM-MRXNPFEDSA-N 0 3 372.469 2.970 20 5 FFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)[C@@H](C)C1 ZINC000249030622 509575847 /nfs/dbraw/zinc/57/58/47/509575847.db2.gz LYCWYXDUBRLMPV-LSDHHAIUSA-N 0 3 369.487 2.562 20 5 FFBDHN COC(=O)C[C@H]1CCCN1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000179887391 509660565 /nfs/dbraw/zinc/66/05/65/509660565.db2.gz URLHYLKECNVCJA-MRXNPFEDSA-N 0 3 358.398 2.523 20 5 FFBDHN CN1CCN(C)[C@H](CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000264738026 509675113 /nfs/dbraw/zinc/67/51/13/509675113.db2.gz JMWPLJDMFLKONU-CQSZACIVSA-N 0 3 360.483 2.659 20 5 FFBDHN C[C@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H](N)c1ccccc1 ZINC000237560337 509676894 /nfs/dbraw/zinc/67/68/94/509676894.db2.gz YAEUOABOHWLNBZ-KXBFYZLASA-N 0 3 368.437 2.580 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](NCCCN2CCOCC2)c2ccccc2)c1 ZINC000179964883 509691167 /nfs/dbraw/zinc/69/11/67/509691167.db2.gz HEDCJZZQQHULBY-HXUWFJFHSA-N 0 3 355.438 2.996 20 5 FFBDHN Cc1ccc([C@H](C)NC(=O)NC[C@@]2(N(C)C)CCSC2)cc1[N+](=O)[O-] ZINC000267976713 509697419 /nfs/dbraw/zinc/69/74/19/509697419.db2.gz FTQJUYMJLVIGNI-GUYCJALGSA-N 0 3 366.487 2.701 20 5 FFBDHN CCC1(CC)[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC000186608764 509800417 /nfs/dbraw/zinc/80/04/17/509800417.db2.gz SZNVJRYFVMMFTN-CVEARBPZSA-N 0 3 370.471 2.552 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000183585838 509872785 /nfs/dbraw/zinc/87/27/85/509872785.db2.gz GBURDIOQKXCHKJ-UKRRQHHQSA-N 0 3 355.398 2.774 20 5 FFBDHN CCOC1CC(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)(N2CCOCC2)C1 ZINC000193404036 509901016 /nfs/dbraw/zinc/90/10/16/509901016.db2.gz ZOUMBMIRADHWSP-MNNVXMFVSA-N 0 3 363.458 2.515 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CN1C1CC1 ZINC000177179069 509921469 /nfs/dbraw/zinc/92/14/69/509921469.db2.gz PAJMQTLKAIDHIC-UONOGXRCSA-N 0 3 358.442 2.550 20 5 FFBDHN C[C@H](CN1CCN(C)CC1)N[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180497681 509955839 /nfs/dbraw/zinc/95/58/39/509955839.db2.gz TZPSKPPEJSMHOR-UTKZUKDTSA-N 0 3 368.481 2.910 20 5 FFBDHN COCCCN1CCC(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 ZINC000171125143 509956574 /nfs/dbraw/zinc/95/65/74/509956574.db2.gz UMEPLAJCKREVEF-UHFFFAOYSA-N 0 3 367.471 2.547 20 5 FFBDHN Cc1nc([C@@H]2CCCN([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n[nH]1 ZINC000268484159 509961641 /nfs/dbraw/zinc/96/16/41/509961641.db2.gz ONVYRMQONXAACW-GXTWGEPZSA-N 0 3 372.429 2.536 20 5 FFBDHN Cc1n[nH]c([C@@H]2CCCN([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000268484159 509961651 /nfs/dbraw/zinc/96/16/51/509961651.db2.gz ONVYRMQONXAACW-GXTWGEPZSA-N 0 3 372.429 2.536 20 5 FFBDHN Cc1nnc([C@@H]2CCCN([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)[nH]1 ZINC000268484159 509961659 /nfs/dbraw/zinc/96/16/59/509961659.db2.gz ONVYRMQONXAACW-GXTWGEPZSA-N 0 3 372.429 2.536 20 5 FFBDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000245675454 510077420 /nfs/dbraw/zinc/07/74/20/510077420.db2.gz HCPPXYHMOGMXAA-QMTHXVAHSA-N 0 3 370.247 2.816 20 5 FFBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2ccncc2)cc1 ZINC000180931352 510189974 /nfs/dbraw/zinc/18/99/74/510189974.db2.gz MWLUGXPJWGEDMK-IFXJQAMLSA-N 0 3 367.409 2.565 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC(C)(C)OC(C)(C)C1 ZINC000190569184 510213084 /nfs/dbraw/zinc/21/30/84/510213084.db2.gz WXGFHTHPDVVGDG-UHFFFAOYSA-N 0 3 365.430 2.821 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184435954 510323765 /nfs/dbraw/zinc/32/37/65/510323765.db2.gz LWLXHEQJVJKRPU-HNNXBMFYSA-N 0 3 368.437 2.914 20 5 FFBDHN CC[C@H](NCCN1C(=O)c2ccccc2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000177967229 510351187 /nfs/dbraw/zinc/35/11/87/510351187.db2.gz WDNYJYAKEZMUGO-KRWDZBQOSA-N 0 3 353.378 2.932 20 5 FFBDHN Cc1ccc([C@@H](C)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000178004437 510370012 /nfs/dbraw/zinc/37/00/12/510370012.db2.gz JEKFOXXSQCTNDJ-GFCCVEGCSA-N 0 3 369.468 2.594 20 5 FFBDHN O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CCN(C2CCCC2)CC1 ZINC000266157601 510437821 /nfs/dbraw/zinc/43/78/21/510437821.db2.gz VQBGHJRWLAGODR-UHFFFAOYSA-N 0 3 360.414 2.616 20 5 FFBDHN COc1ccc(NC(=O)CCN[C@@H](C)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000181521338 510451985 /nfs/dbraw/zinc/45/19/85/510451985.db2.gz OTLVPBZLNOIJQR-LBPRGKRZSA-N 0 3 359.382 2.988 20 5 FFBDHN CCCCN1CCC(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)CC1 ZINC000175091966 510479376 /nfs/dbraw/zinc/47/93/76/510479376.db2.gz ATUKOXYHDJWIOX-UHFFFAOYSA-N 0 3 369.487 2.754 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H](CO)c1ccccc1 ZINC000269641271 510495228 /nfs/dbraw/zinc/49/52/28/510495228.db2.gz XTIZVEQXLPVNGK-SFHVURJKSA-N 0 3 357.410 2.897 20 5 FFBDHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CC=CC2)C1 ZINC000175202382 510529433 /nfs/dbraw/zinc/52/94/33/510529433.db2.gz UEHYBBYVWYNZHS-SFHVURJKSA-N 0 3 358.442 2.573 20 5 FFBDHN CCC[C@@]1(COC)CCCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000194927853 510595352 /nfs/dbraw/zinc/59/53/52/510595352.db2.gz YEONQQICJSZRAO-IBGZPJMESA-N 0 3 361.442 2.765 20 5 FFBDHN CCC1(CC)[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1OC ZINC000191373812 510628060 /nfs/dbraw/zinc/62/80/60/510628060.db2.gz LXIDLIDJOLOCQV-CVEARBPZSA-N 0 3 365.430 2.725 20 5 FFBDHN CCCO[C@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181862874 510630850 /nfs/dbraw/zinc/63/08/50/510630850.db2.gz KMJBRXNBKHOJHO-HOTGVXAUSA-N 0 3 352.431 2.616 20 5 FFBDHN C[C@H](N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000269997238 510634398 /nfs/dbraw/zinc/63/43/98/510634398.db2.gz WUDULKAMAJVHPB-NSNWQYSKSA-N 0 3 359.426 2.859 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN(Cc1cccc(O)c1)CC1CC1 ZINC000181878835 510638875 /nfs/dbraw/zinc/63/88/75/510638875.db2.gz CYSGJSHNHDAWBN-SFHVURJKSA-N 0 3 372.421 2.952 20 5 FFBDHN COc1ccccc1C(C)(C)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182152408 510784278 /nfs/dbraw/zinc/78/42/78/510784278.db2.gz SWOUXDJFIQJOAH-AWEZNQCLSA-N 0 3 360.410 2.868 20 5 FFBDHN CO[C@@H](C)[C@H](C)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000191704585 510793550 /nfs/dbraw/zinc/79/35/50/510793550.db2.gz SHSZARIFKBHESJ-AEJSXWLSSA-N 0 3 363.336 2.954 20 5 FFBDHN C[C@@H](CN1CCCCCC1)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000185441800 510845407 /nfs/dbraw/zinc/84/54/07/510845407.db2.gz RGKSHZMSYVFQRW-HNNXBMFYSA-N 0 3 371.441 2.775 20 5 FFBDHN Cc1n[nH]c(C)c1[C@H]1CCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182296484 510845870 /nfs/dbraw/zinc/84/58/70/510845870.db2.gz QRMLLJIYZBAMSG-GOEBONIOSA-N 0 3 360.414 2.512 20 5 FFBDHN CCCO[C@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000247181815 510849706 /nfs/dbraw/zinc/84/97/06/510849706.db2.gz PPTVIXQMGCUHAG-SJORKVTESA-N 0 3 352.431 2.616 20 5 FFBDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000247504409 510863528 /nfs/dbraw/zinc/86/35/28/510863528.db2.gz XVFITMASNUQPND-QMTHXVAHSA-N 0 3 370.247 2.816 20 5 FFBDHN CN1CCC[C@@]2(CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C2)C1 ZINC000293913833 510897470 /nfs/dbraw/zinc/89/74/70/510897470.db2.gz HZVQOUHGRAVCQN-HXUWFJFHSA-N 0 3 372.469 2.753 20 5 FFBDHN O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H]2CCC3(CCOCC3)[C@@H]2O)c1 ZINC000282647680 511058599 /nfs/dbraw/zinc/05/85/99/511058599.db2.gz HOGYQJHUUKEUAO-BLLLJJGKSA-N 0 3 354.834 2.906 20 5 FFBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000282646048 511058874 /nfs/dbraw/zinc/05/88/74/511058874.db2.gz HLTPKNUUMAWRMT-LRDDRELGSA-N 0 3 354.834 2.906 20 5 FFBDHN O=C(CCN1CCC[C@@H](c2ccncn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000361652486 511074984 /nfs/dbraw/zinc/07/49/84/511074984.db2.gz MHVUQRXZZQGWRM-CQSZACIVSA-N 0 3 355.398 2.593 20 5 FFBDHN O=C(NC1CCN(C2CC2)CC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294485838 511080045 /nfs/dbraw/zinc/08/00/45/511080045.db2.gz PGSWBFUPEMAMOH-UHFFFAOYSA-N 0 3 357.332 2.970 20 5 FFBDHN COc1cc(CNC[C@H](C)CCCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000294794280 511179158 /nfs/dbraw/zinc/17/91/58/511179158.db2.gz MGDLWHBIJRIARA-LLVKDONJSA-N 0 3 362.373 2.746 20 5 FFBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C)CS(=O)(=O)CC ZINC000271416932 511196856 /nfs/dbraw/zinc/19/68/56/511196856.db2.gz AZBPPPQOLBFYBB-CHWSQXEVSA-N 0 3 360.501 2.878 20 5 FFBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H](CO)c1cnn(C)c1 ZINC000271426855 511200982 /nfs/dbraw/zinc/20/09/82/511200982.db2.gz CRBLUPUHXXYTOA-UONOGXRCSA-N 0 3 350.444 2.522 20 5 FFBDHN CN(CCC1CCN(c2ccncc2)CC1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000271436081 511204176 /nfs/dbraw/zinc/20/41/76/511204176.db2.gz WXYBAHYBUBQKTM-UHFFFAOYSA-N 0 3 357.414 2.697 20 5 FFBDHN COc1cc(CN[C@@H]2CCOC2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000295162784 511305487 /nfs/dbraw/zinc/30/54/87/511305487.db2.gz FMDVBKHBWTYRJO-CQSZACIVSA-N 0 3 360.357 2.904 20 5 FFBDHN C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCN(C2CCC2)C1 ZINC000292258540 511525863 /nfs/dbraw/zinc/52/58/63/511525863.db2.gz KQMRIAJAAJAVIT-ZDUSSCGKSA-N 0 3 358.442 2.790 20 5 FFBDHN CC[C@@H](C)N1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000295995911 511582396 /nfs/dbraw/zinc/58/23/96/511582396.db2.gz KILACDIRDPMJGT-CHWSQXEVSA-N 0 3 368.865 2.991 20 5 FFBDHN CN1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[C@@H]1c1cccs1 ZINC000366141310 511863512 /nfs/dbraw/zinc/86/35/12/511863512.db2.gz BHVPSNVEHBNFQX-MLGOLLRUSA-N 0 3 360.439 2.864 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000366162668 511875907 /nfs/dbraw/zinc/87/59/07/511875907.db2.gz HXLHZZQJSCYKHB-AWEZNQCLSA-N 0 3 371.393 2.573 20 5 FFBDHN CN1CC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)C2)C1 ZINC000293648799 512038091 /nfs/dbraw/zinc/03/80/91/512038091.db2.gz GTIAXIAGGCELGB-HXUWFJFHSA-N 0 3 372.469 2.753 20 5 FFBDHN O=C1Nc2ccccc2[C@]12CCN(CCOc1ccccc1[N+](=O)[O-])C2 ZINC000364434815 512108931 /nfs/dbraw/zinc/10/89/31/512108931.db2.gz OXUPGPCHRCQNAY-LJQANCHMSA-N 0 3 353.378 2.569 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(c2c[nH]cn2)CC1 ZINC000374199767 512704917 /nfs/dbraw/zinc/70/49/17/512704917.db2.gz LADUCLGGIPBIML-UHFFFAOYSA-N 0 3 373.413 2.535 20 5 FFBDHN Cc1c(CC(=O)N[C@H]2CN(C)C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000374315526 512762443 /nfs/dbraw/zinc/76/24/43/512762443.db2.gz GAWLSSAIPDSNHO-MSOLQXFVSA-N 0 3 353.422 2.660 20 5 FFBDHN C[C@H](N[C@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000370167938 512800024 /nfs/dbraw/zinc/80/00/24/512800024.db2.gz WZDFWORPOJLTKL-ZFWWWQNUSA-N 0 3 354.410 2.623 20 5 FFBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000378540252 512814480 /nfs/dbraw/zinc/81/44/80/512814480.db2.gz KBRCJKDKXUCWIR-INIZCTEOSA-N 0 3 368.437 2.819 20 5 FFBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000376523511 512856067 /nfs/dbraw/zinc/85/60/67/512856067.db2.gz VOTBQKSIRCMCIO-DYVFJYSZSA-N 0 3 358.442 2.868 20 5 FFBDHN COc1cc(C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)ccc1[N+](=O)[O-] ZINC000370505561 512968240 /nfs/dbraw/zinc/96/82/40/512968240.db2.gz VREVHJLUNHCWDO-AWEZNQCLSA-N 0 3 371.393 2.573 20 5 FFBDHN CN(C)CCN(Cc1ccco1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412176322 512987128 /nfs/dbraw/zinc/98/71/28/512987128.db2.gz RZTNVZJFJYYPCO-ZWKOTPCHSA-N 0 3 357.410 2.882 20 5 FFBDHN CCOc1cc(CN2CCC[C@H]2C[C@H](O)c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000372810111 513053844 /nfs/dbraw/zinc/05/38/44/513053844.db2.gz NIZGUZCUQBUEIL-WMZOPIPTSA-N 0 3 374.441 2.815 20 5 FFBDHN CC(C)Oc1cc(C(=O)N2CCN(C3CC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000412369427 513055937 /nfs/dbraw/zinc/05/59/37/513055937.db2.gz PGZMPCQAVWWHCX-AWEZNQCLSA-N 0 3 361.442 2.938 20 5 FFBDHN Cc1nn(CCC(=O)Nc2ccc(CN(C)C)cc2F)c(C)c1[N+](=O)[O-] ZINC000412558466 513160239 /nfs/dbraw/zinc/16/02/39/513160239.db2.gz LFYQTKZIMZRFEA-UHFFFAOYSA-N 0 3 363.393 2.638 20 5 FFBDHN COC(=O)[C@@]1(c2ccccc2)CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000428794041 513193942 /nfs/dbraw/zinc/19/39/42/513193942.db2.gz LXJCUGCRVMUSPK-FQEVSTJZSA-N 0 3 370.405 2.920 20 5 FFBDHN COC(=O)[C@]1(c2ccccc2)CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000428793991 513194497 /nfs/dbraw/zinc/19/44/97/513194497.db2.gz MBYOZFIZVIKJTK-HXUWFJFHSA-N 0 3 370.405 2.920 20 5 FFBDHN O=[N+]([O-])c1cc(Br)ccc1NC[C@@H]1CCCN1CCCO ZINC000450598765 513266945 /nfs/dbraw/zinc/26/69/45/513266945.db2.gz RBSHVTVFDUFXDQ-LBPRGKRZSA-N 0 3 358.236 2.616 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc([C@@H](C)[NH3+])cc2)cc1C ZINC000440427912 513318040 /nfs/dbraw/zinc/31/80/40/513318040.db2.gz OTSVLUDWBDREAS-CYBMUJFWSA-N 0 3 363.439 2.710 20 5 FFBDHN CCC1(CC)[C@H](NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H](C)[C@H]1OC ZINC000429292039 513329654 /nfs/dbraw/zinc/32/96/54/513329654.db2.gz HTSIRZOWCTYXOO-MORSLUCNSA-N 0 3 363.458 2.987 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCCN[C@]2(CO)CCOc3ccccc32)cc1 ZINC000440490586 513332704 /nfs/dbraw/zinc/33/27/04/513332704.db2.gz UZJGDCRUUICDQB-IBGZPJMESA-N 0 3 358.394 2.624 20 5 FFBDHN O=C(CN[C@@H]1Cc2cccc(O)c2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000429321957 513339133 /nfs/dbraw/zinc/33/91/33/513339133.db2.gz GRMWLZQIIMGINM-GFCCVEGCSA-N 0 3 361.785 2.649 20 5 FFBDHN CCc1ccccc1[C@@H](N)CNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000418078565 513364067 /nfs/dbraw/zinc/36/40/67/513364067.db2.gz JPQJWLQBIYRQEL-KRWDZBQOSA-N 0 3 356.426 2.965 20 5 FFBDHN CN1C[C@@H]2CCCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000425058826 513395467 /nfs/dbraw/zinc/39/54/67/513395467.db2.gz PRZYOCNULSHGGO-IINYFYTJSA-N 0 3 357.332 2.780 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@@H]1N1CCCC1 ZINC000421806569 513439096 /nfs/dbraw/zinc/43/90/96/513439096.db2.gz ZULYNTNDKZGKRZ-DLBZAZTESA-N 0 3 363.483 2.863 20 5 FFBDHN CC(C)(NC(=O)NCCCNCc1cccnc1)c1ccccc1[N+](=O)[O-] ZINC000418333877 513468575 /nfs/dbraw/zinc/46/85/75/513468575.db2.gz VZYMKMLIQCYDHF-UHFFFAOYSA-N 0 3 371.441 2.704 20 5 FFBDHN COCC(C)(C)N1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000425285961 513491621 /nfs/dbraw/zinc/49/16/21/513491621.db2.gz XSKKCSCAPBWIPP-UHFFFAOYSA-N 0 3 358.442 2.998 20 5 FFBDHN CCNC(=O)c1cccc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447529923 513498580 /nfs/dbraw/zinc/49/85/80/513498580.db2.gz NCHBWYJCHHJLFB-SJORKVTESA-N 0 3 371.441 2.815 20 5 FFBDHN C[C@@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)CC[C@@H]1N1CCN(C)CC1 ZINC000413214012 513524820 /nfs/dbraw/zinc/52/48/20/513524820.db2.gz KSVBLHLCOYSMIT-BEFAXECRSA-N 0 3 369.469 2.605 20 5 FFBDHN COCCN(C)CCNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000447679727 513540069 /nfs/dbraw/zinc/54/00/69/513540069.db2.gz LNCSJFJXHCHLTI-UHFFFAOYSA-N 0 3 372.294 2.634 20 5 FFBDHN O=[N+]([O-])c1cnn(CCNC2(c3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000451145287 513549978 /nfs/dbraw/zinc/54/99/78/513549978.db2.gz JDAIFPCDGUCRKS-UHFFFAOYSA-N 0 3 356.304 2.969 20 5 FFBDHN CN(C)[C@H](CC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000416128966 513583803 /nfs/dbraw/zinc/58/38/03/513583803.db2.gz VNYPYRJCXMNYKX-GOSISDBHSA-N 0 3 356.426 2.816 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000430211263 513588377 /nfs/dbraw/zinc/58/83/77/513588377.db2.gz XHOPTXFDWRHADD-RVKKMQEKSA-N 0 3 363.458 2.677 20 5 FFBDHN CN(C)[C@H](CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000416219424 513654149 /nfs/dbraw/zinc/65/41/49/513654149.db2.gz HJDUUOGJAWYQMU-QGZVFWFLSA-N 0 3 367.409 2.780 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@@H]3[C@@H]3CCC[C@@H]3O)n2)cc1 ZINC000451426690 513743121 /nfs/dbraw/zinc/74/31/21/513743121.db2.gz VWTLGOUEYAYGRX-XHSDSOJGSA-N 0 3 358.398 2.770 20 5 FFBDHN COc1cc(C(=O)NCC(C)(C)N2CCCCC2)c([N+](=O)[O-])cc1F ZINC000448582148 513792853 /nfs/dbraw/zinc/79/28/53/513792853.db2.gz MXGRVIMSQMOESP-UHFFFAOYSA-N 0 3 353.394 2.737 20 5 FFBDHN CO[C@@H]1[C@@H](C)[C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000451504424 513794294 /nfs/dbraw/zinc/79/42/94/513794294.db2.gz SELQYTWTOHZKBM-TZTCFGBESA-N 0 3 355.822 2.836 20 5 FFBDHN CN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H](CO)c1ccccc1 ZINC000436250124 513805929 /nfs/dbraw/zinc/80/59/29/513805929.db2.gz BNQAXNKPEBSULP-QGZVFWFLSA-N 0 3 371.393 2.558 20 5 FFBDHN C[C@@H]1[C@@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCCN1C ZINC000426209179 513872262 /nfs/dbraw/zinc/87/22/62/513872262.db2.gz HNBBBWYXCAPQAC-YGRLFVJLSA-N 0 3 374.363 2.896 20 5 FFBDHN Cc1cc(S(=O)(=O)N(C)C(C)(C)CN2CCCC2)c(C)cc1[N+](=O)[O-] ZINC000416663584 513895601 /nfs/dbraw/zinc/89/56/01/513895601.db2.gz QOYIVVXRFFXMAH-UHFFFAOYSA-N 0 3 369.487 2.707 20 5 FFBDHN CN(CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000448803003 513905596 /nfs/dbraw/zinc/90/55/96/513905596.db2.gz BONASGXONLRGNI-UHFFFAOYSA-N 0 3 361.442 2.938 20 5 FFBDHN CC(C)(C(=O)NCCNc1ccccc1[N+](=O)[O-])[C@@H](N)c1ccccc1 ZINC000422931762 513980267 /nfs/dbraw/zinc/98/02/67/513980267.db2.gz CUUDTLNEAWCPTA-KRWDZBQOSA-N 0 3 356.426 2.849 20 5 FFBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@](C)(O)CCN(C)C ZINC000420020413 513998428 /nfs/dbraw/zinc/99/84/28/513998428.db2.gz SEYMMULHEDHVEA-KRWDZBQOSA-N 0 3 369.487 2.528 20 5 FFBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000449213752 514116880 /nfs/dbraw/zinc/11/68/80/514116880.db2.gz VRCKWVYYCIIITJ-YPMHNXCESA-N 0 3 359.348 2.669 20 5 FFBDHN O=C1C[C@H](CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CN1 ZINC000414484164 514146032 /nfs/dbraw/zinc/14/60/32/514146032.db2.gz NWBXWDFMGURHRR-CYBMUJFWSA-N 0 3 359.357 2.752 20 5 FFBDHN C[C@H](NC(=O)NC[C@@H]1NCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000417128379 514183054 /nfs/dbraw/zinc/18/30/54/514183054.db2.gz IHJDRMUGQQXUPT-UGSOOPFHSA-N 0 3 354.410 2.842 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420601935 514196799 /nfs/dbraw/zinc/19/67/99/514196799.db2.gz AKIBCHRISHFJPG-CZUORRHYSA-N 0 3 354.410 2.626 20 5 FFBDHN CCc1ccccc1[C@H](N)CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000423969528 514313943 /nfs/dbraw/zinc/31/39/43/514313943.db2.gz FABXTVQQJPLDFG-MRXNPFEDSA-N 0 3 357.410 2.742 20 5 FFBDHN CN(C[C@H]1CCCN1C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420831237 514326429 /nfs/dbraw/zinc/32/64/29/514326429.db2.gz YXEQNLISXNHKMM-CQSZACIVSA-N 0 3 354.838 2.526 20 5 FFBDHN Cc1ccccc1[C@H](CC(F)(F)F)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000444778692 514329404 /nfs/dbraw/zinc/32/94/04/514329404.db2.gz JPARGGURZUVGFN-ZFWWWQNUSA-N 0 3 372.347 2.744 20 5 FFBDHN COc1ccc(-c2ccc(CNC[C@@H]3CCN(C)C(=O)C3)o2)c([N+](=O)[O-])c1 ZINC000424183244 514408801 /nfs/dbraw/zinc/40/88/01/514408801.db2.gz BANXBABKODQVET-CYBMUJFWSA-N 0 3 373.409 2.821 20 5 FFBDHN CN1CC[C@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1=O ZINC000424195203 514411316 /nfs/dbraw/zinc/41/13/16/514411316.db2.gz XYFMTWDCYWFKQO-LBPRGKRZSA-N 0 3 360.439 2.676 20 5 FFBDHN CC(C)c1ccc(CN2CCC[C@H](n3cc(CN)nn3)C2)cc1[N+](=O)[O-] ZINC000415132312 514459303 /nfs/dbraw/zinc/45/93/03/514459303.db2.gz TYXAOZQBZQNQDA-INIZCTEOSA-N 0 3 358.446 2.606 20 5 FFBDHN O=C(NCC(F)(F)F)[C@@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000428489112 514483959 /nfs/dbraw/zinc/48/39/59/514483959.db2.gz WJEVSIWTMMXQBD-HSBHDXMMSA-N 0 3 357.332 2.608 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)c1 ZINC000428531929 514489932 /nfs/dbraw/zinc/48/99/32/514489932.db2.gz AXJLRSCBVGQFQT-MRXNPFEDSA-N 0 3 355.394 2.722 20 5 FFBDHN Cn1cnc([N+](=O)[O-])c1-c1noc(C2CCN(Cc3ccccc3)CC2)n1 ZINC000445582071 514495860 /nfs/dbraw/zinc/49/58/60/514495860.db2.gz GEYOPMCUXAEWKY-UHFFFAOYSA-N 0 3 368.397 2.758 20 5 FFBDHN CCOC(=O)[C@@]1(COC)CCCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000439474914 514560689 /nfs/dbraw/zinc/56/06/89/514560689.db2.gz XVLOCNLZUAEBPU-KDOFPFPSSA-N 0 3 350.415 2.948 20 5 FFBDHN CN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470675938 514568983 /nfs/dbraw/zinc/56/89/83/514568983.db2.gz VVPICTIVNRTSAV-MRXNPFEDSA-N 0 3 356.426 2.670 20 5 FFBDHN CN(C)CCOc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1F ZINC000458277597 514681557 /nfs/dbraw/zinc/68/15/57/514681557.db2.gz DYXCIYJPZBKLGP-UHFFFAOYSA-N 0 3 361.373 2.856 20 5 FFBDHN COC(=O)C1CCN(CCCNc2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000461780995 514733814 /nfs/dbraw/zinc/73/38/14/514733814.db2.gz ZDAUTMWMYGUWSC-UHFFFAOYSA-N 0 3 353.394 2.729 20 5 FFBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000466923249 514829716 /nfs/dbraw/zinc/82/97/16/514829716.db2.gz JFNHNDHENWGVBG-KBXCAEBGSA-N 0 3 360.458 2.998 20 5 FFBDHN CNc1nc(C(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)ccc1[N+](=O)[O-] ZINC000456025431 514911158 /nfs/dbraw/zinc/91/11/58/514911158.db2.gz MIGNXTKBQYQXDB-DYVFJYSZSA-N 0 3 371.441 2.761 20 5 FFBDHN CN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000498496439 514931921 /nfs/dbraw/zinc/93/19/21/514931921.db2.gz RMUOKPKWOJXXDJ-HNNXBMFYSA-N 0 3 366.849 2.669 20 5 FFBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000485348542 515004880 /nfs/dbraw/zinc/00/48/80/515004880.db2.gz LPGCGDDFLAVHEF-OLZOCXBDSA-N 0 3 367.471 2.546 20 5 FFBDHN NC(=O)c1ccc(CN[C@@H]2CCC[C@H]2OCc2ccccc2)c([N+](=O)[O-])c1 ZINC000503523319 515066765 /nfs/dbraw/zinc/06/67/65/515066765.db2.gz PBHJWVXYQYHQGK-IEBWSBKVSA-N 0 3 369.421 2.921 20 5 FFBDHN CC(C)N1CC[C@H](Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000462481510 515075512 /nfs/dbraw/zinc/07/55/12/515075512.db2.gz ASAQLWNEUWVSHD-INIZCTEOSA-N 0 3 356.426 2.885 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H](c3ccccc3F)C2)c1 ZINC000503702941 515125094 /nfs/dbraw/zinc/12/50/94/515125094.db2.gz RSFSGNRUTIFDBE-GDBMZVCRSA-N 0 3 360.385 2.963 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])c(N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC000491351796 515416779 /nfs/dbraw/zinc/41/67/79/515416779.db2.gz ZULCXJUNBPDJMT-HXUWFJFHSA-N 0 3 370.453 2.680 20 5 FFBDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1N)N(C)C ZINC000510551403 515583785 /nfs/dbraw/zinc/58/37/85/515583785.db2.gz UFQSAZAHUYMYGQ-SCLBCKFNSA-N 0 3 356.426 2.907 20 5 FFBDHN CN1CCC[C@@]2(CCN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)C2)C1 ZINC000505635133 515618726 /nfs/dbraw/zinc/61/87/26/515618726.db2.gz OBTPVCJBUAQMQJ-QGZVFWFLSA-N 0 3 369.368 2.754 20 5 FFBDHN COc1cc(CNCCc2ccncc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493766570 515662894 /nfs/dbraw/zinc/66/28/94/515662894.db2.gz POGSDGFLDSGVQC-UHFFFAOYSA-N 0 3 367.352 2.975 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1cncc(F)c1 ZINC000459625804 515704363 /nfs/dbraw/zinc/70/43/63/515704363.db2.gz YVDNIMJMOCEFRA-NSHDSACASA-N 0 3 362.361 2.817 20 5 FFBDHN C[C@H]1[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000494070188 515726356 /nfs/dbraw/zinc/72/63/56/515726356.db2.gz VOEDGIWECGYNNV-KXBFYZLASA-N 0 3 353.422 2.917 20 5 FFBDHN CN(Cc1cccc2[nH]ccc21)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000494104635 515734256 /nfs/dbraw/zinc/73/42/56/515734256.db2.gz DXNAGXKBYCWCBK-MRXNPFEDSA-N 0 3 355.394 2.948 20 5 FFBDHN O=C1COc2ccccc2N1CCCNCc1ccc([N+](=O)[O-])cc1F ZINC000478285316 515766786 /nfs/dbraw/zinc/76/67/86/515766786.db2.gz ZHQWDZSHEAGTTJ-UHFFFAOYSA-N 0 3 359.357 2.639 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1(N(C)C)CCCCC1 ZINC000506196500 515812944 /nfs/dbraw/zinc/81/29/44/515812944.db2.gz ZCJNFRXRORGJFK-UHFFFAOYSA-N 0 3 369.487 2.700 20 5 FFBDHN C[C@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@@H](C)C1 ZINC000478526957 515858372 /nfs/dbraw/zinc/85/83/72/515858372.db2.gz DZEOGBAEUHENHF-HUUCEWRRSA-N 0 3 371.441 2.631 20 5 FFBDHN Cc1ccsc1[C@H](CO)NCCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000494685170 515924258 /nfs/dbraw/zinc/92/42/58/515924258.db2.gz IQPNSSBLFXQJDT-AWEZNQCLSA-N 0 3 363.439 2.925 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CN1C1CC1 ZINC000487819717 515991104 /nfs/dbraw/zinc/99/11/04/515991104.db2.gz QCAGYOWAQVDGCG-RISCZKNCSA-N 0 3 366.849 2.715 20 5 FFBDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)Nc1ccncc1[N+](=O)[O-])N(C)C ZINC000478949069 516016512 /nfs/dbraw/zinc/01/65/12/516016512.db2.gz HLQAXLIEBPYXCC-CXAGYDPISA-N 0 3 357.414 2.533 20 5 FFBDHN COc1cc(CN2CCN(C)[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000487948455 516045879 /nfs/dbraw/zinc/04/58/79/516045879.db2.gz DLRNHBAWPQCVHH-CQSZACIVSA-N 0 3 373.400 2.977 20 5 FFBDHN COCCN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCC[C@@H]1C ZINC000488075549 516107699 /nfs/dbraw/zinc/10/76/99/516107699.db2.gz ORWNDZLMNVGGEE-WMLDXEAASA-N 0 3 361.442 2.621 20 5 FFBDHN CN(C)CCOc1cc(CNc2c3ccccc3ncc2[N+](=O)[O-])ccn1 ZINC000488103397 516117271 /nfs/dbraw/zinc/11/72/71/516117271.db2.gz RUZPNMJYCHMYGT-UHFFFAOYSA-N 0 3 367.409 2.512 20 5 FFBDHN C[C@@H](CO)N1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000470131419 516134628 /nfs/dbraw/zinc/13/46/28/516134628.db2.gz GMQKFBJZWNDWAU-HNNXBMFYSA-N 0 3 359.426 2.743 20 5 FFBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@](C)(O)C(=O)OC(C)(C)C ZINC000470208902 516173068 /nfs/dbraw/zinc/17/30/68/516173068.db2.gz VFHWQLZGARFALB-FUNAXGEOSA-N 0 3 350.415 2.680 20 5 FFBDHN CNC(=O)c1ccc(N(C)[C@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000474786227 516195379 /nfs/dbraw/zinc/19/53/79/516195379.db2.gz QNJHPJAKTRQTAR-KRWDZBQOSA-N 0 3 368.437 2.665 20 5 FFBDHN C[C@H]1C[C@H]1N1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H](C)C1 ZINC000488715894 516293268 /nfs/dbraw/zinc/29/32/68/516293268.db2.gz BRBPHCLHAMHVMF-HEHGZKQESA-N 0 3 357.414 2.811 20 5 FFBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000488748218 516299932 /nfs/dbraw/zinc/29/99/32/516299932.db2.gz KAQGBVBDNNWCTE-DVOMOZLQSA-N 0 3 361.442 2.856 20 5 FFBDHN O=C(N1CCCC1)N1CCC[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000517586819 516376677 /nfs/dbraw/zinc/37/66/77/516376677.db2.gz VVPPQXIBJLIFDH-WMLDXEAASA-N 0 3 358.442 2.852 20 5 FFBDHN CN(C)CCN(CC1CCCCC1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000517823400 516462426 /nfs/dbraw/zinc/46/24/26/516462426.db2.gz DLDBKJRGJYFFKV-UHFFFAOYSA-N 0 3 362.474 2.977 20 5 FFBDHN COc1ccc(CNC[C@@H](O)Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000554523617 516483784 /nfs/dbraw/zinc/48/37/84/516483784.db2.gz VGZIYQJBDAEAND-HNNXBMFYSA-N 0 3 350.802 2.950 20 5 FFBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000558025802 516555369 /nfs/dbraw/zinc/55/53/69/516555369.db2.gz PJABPCLXYPXXEH-UXLLHSPISA-N 0 3 361.442 2.552 20 5 FFBDHN CN(c1ccccc1)c1ccc(CNC2(CO)CCOCC2)cc1[N+](=O)[O-] ZINC000523842382 516590914 /nfs/dbraw/zinc/59/09/14/516590914.db2.gz ZGCKCQRPEWMLKI-UHFFFAOYSA-N 0 3 371.437 2.994 20 5 FFBDHN CN1CC[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000536193840 516670870 /nfs/dbraw/zinc/67/08/70/516670870.db2.gz ULNOVEBZFLGNOY-RTBURBONSA-N 0 3 368.437 2.882 20 5 FFBDHN CN(c1ccccc1)c1ccc(CNC[C@@H]2COCCO2)cc1[N+](=O)[O-] ZINC000513614432 516690047 /nfs/dbraw/zinc/69/00/47/516690047.db2.gz ZRVACAISYNDLFE-QGZVFWFLSA-N 0 3 357.410 2.868 20 5 FFBDHN Cc1nccn1C[C@@H](C)CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000513656232 516708258 /nfs/dbraw/zinc/70/82/58/516708258.db2.gz QVBYEZRUHQTCAT-KBXCAEBGSA-N 0 3 368.441 2.849 20 5 FFBDHN CCCN(CC)C[C@@H](C)NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000558479741 516766786 /nfs/dbraw/zinc/76/67/86/516766786.db2.gz QTOCFGDPKKUOJC-CYBMUJFWSA-N 0 3 357.476 2.610 20 5 FFBDHN C[C@@H]1CCN(CCNC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)C1 ZINC000524721347 516803426 /nfs/dbraw/zinc/80/34/26/516803426.db2.gz QPSOOTMGPGGGCO-JKSUJKDBSA-N 0 3 374.485 2.903 20 5 FFBDHN CSC1(CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CCN(C)CC1 ZINC000558555958 516805794 /nfs/dbraw/zinc/80/57/94/516805794.db2.gz WGVFZDLULPGOLR-ZDUSSCGKSA-N 0 3 351.472 2.642 20 5 FFBDHN CCN1CC[C@@H](N(C)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000524881121 516859423 /nfs/dbraw/zinc/85/94/23/516859423.db2.gz UTVCOVPJZIOBRY-RHSMWYFYSA-N 0 3 371.441 2.725 20 5 FFBDHN CC[C@@H](NCCN1CCN(C(=O)C2CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000536865117 516956835 /nfs/dbraw/zinc/95/68/35/516956835.db2.gz RZPGITCLKFDEIE-LJQANCHMSA-N 0 3 374.485 2.580 20 5 FFBDHN CNC(=O)COc1cccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000552086561 517072228 /nfs/dbraw/zinc/07/22/28/517072228.db2.gz KBACJVYBESKARJ-AWEZNQCLSA-N 0 3 357.410 2.879 20 5 FFBDHN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CC[C@H](N2CCCC2)C1 ZINC000555760963 517108769 /nfs/dbraw/zinc/10/87/69/517108769.db2.gz KIKHMKZOODTFCN-LBPRGKRZSA-N 0 3 357.332 2.924 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)[C@@H](C)C2CCN(C)CC2)c1 ZINC000541815556 517229277 /nfs/dbraw/zinc/22/92/77/517229277.db2.gz GUTWQAMXXLJXGF-AWEZNQCLSA-N 0 3 369.487 2.562 20 5 FFBDHN Cc1c(CC(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)cccc1[N+](=O)[O-] ZINC000552518252 517293266 /nfs/dbraw/zinc/29/32/66/517293266.db2.gz XRFYAHLLARCDMM-GOSISDBHSA-N 0 3 369.421 2.651 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)n1 ZINC000541935032 517299331 /nfs/dbraw/zinc/29/93/31/517299331.db2.gz HKEODWNFEOMPIZ-ZWKOTPCHSA-N 0 3 370.453 2.902 20 5 FFBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000526046919 517311420 /nfs/dbraw/zinc/31/14/20/517311420.db2.gz HGQUUPHZVPVQLI-ZMRGCFQXSA-N 0 3 352.456 2.944 20 5 FFBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCN(C)c1ccccc1 ZINC000533282250 517381564 /nfs/dbraw/zinc/38/15/64/517381564.db2.gz DONLVXAUXNDEMV-UHFFFAOYSA-N 0 3 356.426 2.992 20 5 FFBDHN CN1CCN([C@@H](CNCc2ccc([N+](=O)[O-])cc2)c2cccs2)CC1 ZINC000559888802 517472180 /nfs/dbraw/zinc/47/21/80/517472180.db2.gz WAYWOQOQZXHDRI-KRWDZBQOSA-N 0 3 360.483 2.735 20 5 FFBDHN CN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CCc1ccccc1O ZINC000542320985 517504440 /nfs/dbraw/zinc/50/44/40/517504440.db2.gz UWSWSQJNQGPZMK-UHFFFAOYSA-N 0 3 371.393 2.773 20 5 FFBDHN CC[C@@H](C)N[C@H](CNc1ncc(C(=O)OC)cc1[N+](=O)[O-])c1ccco1 ZINC000553264536 517611363 /nfs/dbraw/zinc/61/13/63/517611363.db2.gz MMYRIKDAXJXTBV-DGCLKSJQSA-N 0 3 362.386 2.911 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000542852639 517783022 /nfs/dbraw/zinc/78/30/22/517783022.db2.gz OBYWXDDGLPDZIY-KOLCDFICSA-N 0 3 355.341 2.551 20 5 FFBDHN CC(C)N(CCN1CCCCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000553559862 517783928 /nfs/dbraw/zinc/78/39/28/517783928.db2.gz RCPQBFRTQDZSTC-UHFFFAOYSA-N 0 3 369.487 2.870 20 5 FFBDHN CNc1ccc(C(=O)N(CCN(C)C)Cc2ccccc2F)cc1[N+](=O)[O-] ZINC000521587512 517788054 /nfs/dbraw/zinc/78/80/54/517788054.db2.gz BIJXVYBZVGFZPG-UHFFFAOYSA-N 0 3 374.416 2.980 20 5 FFBDHN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000557025567 517811169 /nfs/dbraw/zinc/81/11/69/517811169.db2.gz QEFXOKMEBYVMOB-IBGZPJMESA-N 0 3 369.421 2.733 20 5 FFBDHN CCOc1cccc(NCCCN2CCC(C(=O)OC)CC2)c1[N+](=O)[O-] ZINC000516860231 517876996 /nfs/dbraw/zinc/87/69/96/517876996.db2.gz SAUKSVTYTVRVLN-UHFFFAOYSA-N 0 3 365.430 2.681 20 5 FFBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H](C)C1 ZINC000553783339 517901381 /nfs/dbraw/zinc/90/13/81/517901381.db2.gz OZMWPIGUTHHVIB-NJSLBKSFSA-N 0 3 370.453 2.807 20 5 FFBDHN C[C@H]([C@H]1Cc2ccccc2O1)N(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000543136559 517926765 /nfs/dbraw/zinc/92/67/65/517926765.db2.gz HNVZZXQKYIOJIL-PTSWNOGYSA-N 0 3 372.421 2.659 20 5 FFBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](CC(N)=O)c1ccccc1 ZINC000560608031 517927237 /nfs/dbraw/zinc/92/72/37/517927237.db2.gz CVTZYQFXHCEILM-SUMWQHHRSA-N 0 3 370.409 2.518 20 5 FFBDHN Cc1ccc(CN(CCN(C)C)C(=O)NCCc2cccc([N+](=O)[O-])c2)o1 ZINC000534721489 518011574 /nfs/dbraw/zinc/01/15/74/518011574.db2.gz VYNGYMVVRPDFTK-UHFFFAOYSA-N 0 3 374.441 2.812 20 5 FFBDHN Cn1c(C(=O)N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)ccc1[N+](=O)[O-] ZINC000560768730 518015722 /nfs/dbraw/zinc/01/57/22/518015722.db2.gz MACZYZKRFKYZBS-HXUWFJFHSA-N 0 3 368.437 2.672 20 5 FFBDHN CCN(CC)Cc1cccc(NC(=O)c2ccnc(NC)c2[N+](=O)[O-])c1 ZINC000563704913 518080071 /nfs/dbraw/zinc/08/00/71/518080071.db2.gz BCYSFQFEAOOJJQ-UHFFFAOYSA-N 0 3 357.414 2.548 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCCOc2ccccc2Cl)c1 ZINC000517359924 518127810 /nfs/dbraw/zinc/12/78/10/518127810.db2.gz WTYNKPZWXURDIT-AWEZNQCLSA-N 0 3 366.801 2.657 20 5 FFBDHN CC(C)Cc1ccc([C@H](CNC(=O)c2nn(C)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000581390525 518261649 /nfs/dbraw/zinc/26/16/49/518261649.db2.gz RYVNCIPQJLXWJJ-INIZCTEOSA-N 0 3 373.457 2.560 20 5 FFBDHN O=C(CCNCCOc1ccc(Cl)cn1)Nc1ccccc1[N+](=O)[O-] ZINC000564076897 518296044 /nfs/dbraw/zinc/29/60/44/518296044.db2.gz ILRRAZQEUVEYHA-UHFFFAOYSA-N 0 3 364.789 2.640 20 5 FFBDHN CCOc1cccc([C@@H]2C[C@H]2NC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000567346644 518477110 /nfs/dbraw/zinc/47/71/10/518477110.db2.gz SKFZNFPNGFFPAD-RYQLBKOJSA-N 0 3 372.421 2.879 20 5 FFBDHN C[C@H](C(=O)N[C@H]1CN(C)C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000573158583 518531706 /nfs/dbraw/zinc/53/17/06/518531706.db2.gz DTYWGWKNYPLSDT-JVPBZIDWSA-N 0 3 353.422 2.912 20 5 FFBDHN Cc1cc(NC[C@H](O)COc2ccccc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000579155009 518546229 /nfs/dbraw/zinc/54/62/29/518546229.db2.gz ZXVUCJIGOLPENF-HNNXBMFYSA-N 0 3 353.378 2.725 20 5 FFBDHN O=[N+]([O-])c1ccc(CCN(Cc2ccccc2)[C@]2(CO)CCOC2)cc1 ZINC000585718544 518574423 /nfs/dbraw/zinc/57/44/23/518574423.db2.gz KUTUSPJIHIWYPO-FQEVSTJZSA-N 0 3 356.422 2.791 20 5 FFBDHN CN1CC[C@@H]2OCCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)[C@H]2C1 ZINC000585783610 518596166 /nfs/dbraw/zinc/59/61/66/518596166.db2.gz KQEBSEGZCLRTHT-IRXDYDNUSA-N 0 3 372.400 2.705 20 5 FFBDHN CCC(CC)Nc1ccncc1NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000579288829 518608334 /nfs/dbraw/zinc/60/83/34/518608334.db2.gz PGGBPGDFFJZFLF-UHFFFAOYSA-N 0 3 374.445 2.854 20 5 FFBDHN CC(=O)N1C[C@@H]2CCC[C@H](NCc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000579519502 518719296 /nfs/dbraw/zinc/71/92/96/518719296.db2.gz MBSKCMFOYHRANX-LXZKKBNFSA-N 0 3 351.834 2.985 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2nc(CN3CCNC[C@H]3C(F)F)cs2)c1 ZINC000567871021 518758810 /nfs/dbraw/zinc/75/88/10/518758810.db2.gz JBQTYCVWZPVNOR-ZDUSSCGKSA-N 0 3 354.382 2.757 20 5 FFBDHN COc1cc(C(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000573637766 518762291 /nfs/dbraw/zinc/76/22/91/518762291.db2.gz GLLUFOKGRJDLBV-HNNXBMFYSA-N 0 3 361.373 2.775 20 5 FFBDHN O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CC[C@H](N2CCCC2)C1 ZINC000582586591 518824696 /nfs/dbraw/zinc/82/46/96/518824696.db2.gz SXGNBAWJIVKZRV-LBPRGKRZSA-N 0 3 357.332 2.924 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](N2CCOCC2)CC1 ZINC000576957811 518847419 /nfs/dbraw/zinc/84/74/19/518847419.db2.gz SWCNXSNQQLGBST-KRWDZBQOSA-N 0 3 363.458 2.680 20 5 FFBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1cccc(NS(C)(=O)=O)c1 ZINC000589183886 518944974 /nfs/dbraw/zinc/94/49/74/518944974.db2.gz VKCGNPKDMXDBIF-UHFFFAOYSA-N 0 3 363.439 2.641 20 5 FFBDHN CC[C@H](CNCc1cc(I)cc([N+](=O)[O-])c1)OC ZINC000582874070 518961797 /nfs/dbraw/zinc/96/17/97/518961797.db2.gz BGCLBBZJPDZYQY-GFCCVEGCSA-N 0 3 364.183 2.714 20 5 FFBDHN CC(C)Cc1ccc([C@@H](CNC(=O)c2c([N+](=O)[O-])cnn2C)N(C)C)cc1 ZINC000565562668 519018429 /nfs/dbraw/zinc/01/84/29/519018429.db2.gz WQCCRLYPCJSHOF-MRXNPFEDSA-N 0 3 373.457 2.560 20 5 FFBDHN COCCN1CCC(N[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000583029301 519043524 /nfs/dbraw/zinc/04/35/24/519043524.db2.gz KPEDZIUYZAIDQD-OAHLLOKOSA-N 0 3 361.364 2.899 20 5 FFBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000590456710 519238368 /nfs/dbraw/zinc/23/83/68/519238368.db2.gz GLTOGPWGMNMRGS-HDMKZQKVSA-N 0 3 360.458 2.586 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H](c2ccccn2)C1 ZINC000590599090 519283687 /nfs/dbraw/zinc/28/36/87/519283687.db2.gz AAJCNIQSDXBRAU-HZPDHXFCSA-N 0 3 357.410 2.609 20 5 FFBDHN CC(C)N(C)C[C@H](C)Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000568939556 519292158 /nfs/dbraw/zinc/29/21/58/519292158.db2.gz MAKLFGNFGBJDBX-ZDUSSCGKSA-N 0 3 359.430 2.700 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000590656887 519304788 /nfs/dbraw/zinc/30/47/88/519304788.db2.gz FSEXDIZUDBNOHP-JQHSSLGASA-N 0 3 362.426 2.897 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1ccc(C)cn1 ZINC000590754408 519351415 /nfs/dbraw/zinc/35/14/15/519351415.db2.gz FVUMULVKTVIBBF-UHFFFAOYSA-N 0 3 358.398 2.767 20 5 FFBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000590800334 519378142 /nfs/dbraw/zinc/37/81/42/519378142.db2.gz BBKJXSQLFAXYKV-UHFFFAOYSA-N 0 3 350.463 2.906 20 5 FFBDHN CCN1CCC[C@@H]1CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590926383 519437785 /nfs/dbraw/zinc/43/77/85/519437785.db2.gz OGIPBPXYRCMRHV-SJLPKXTDSA-N 0 3 360.458 2.968 20 5 FFBDHN C[C@@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCCCC1 ZINC000583903928 519492363 /nfs/dbraw/zinc/49/23/63/519492363.db2.gz SJNDFBYLEXPKFE-AWEZNQCLSA-N 0 3 358.442 2.999 20 5 FFBDHN NC(=O)C1CCN(Cc2ccc(CNc3ccc([N+](=O)[O-])s3)cc2)CC1 ZINC000591198548 519544825 /nfs/dbraw/zinc/54/48/25/519544825.db2.gz OKULDCPMBRAPRQ-UHFFFAOYSA-N 0 3 374.466 2.966 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000569582707 519620361 /nfs/dbraw/zinc/62/03/61/519620361.db2.gz ZFAWMKNTLHHLNO-FQEVSTJZSA-N 0 3 369.421 2.998 20 5 FFBDHN CCn1nc(C)c(CN(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1C ZINC000602924068 519974023 /nfs/dbraw/zinc/97/40/23/519974023.db2.gz BLYRTPFATWPYER-UHFFFAOYSA-N 0 3 359.430 2.889 20 5 FFBDHN Cn1nnc2c1CC[C@@H](N[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C2 ZINC000594521184 520013816 /nfs/dbraw/zinc/01/38/16/520013816.db2.gz MIFKWBJSPQNLQO-UZLBHIALSA-N 0 3 363.421 2.960 20 5 FFBDHN CCC[NH+](CCC)CCC[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000609076246 520184721 /nfs/dbraw/zinc/18/47/21/520184721.db2.gz OQSIHZNIAOOCKA-UHFFFAOYSA-N 0 3 357.476 2.694 20 5 FFBDHN CCOc1cc(N2CCN(CCC[C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000592120889 520196768 /nfs/dbraw/zinc/19/67/68/520196768.db2.gz IOQUMEPSTGMRIY-INIZCTEOSA-N 0 3 363.458 2.932 20 5 FFBDHN CC(C)NC(=O)CCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130368 520205020 /nfs/dbraw/zinc/20/50/20/520205020.db2.gz FOGBQULZCXOBFG-QAQDUYKDSA-N 0 3 363.458 2.615 20 5 FFBDHN O=C(NCc1ccccc1)[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000592155529 520232131 /nfs/dbraw/zinc/23/21/31/520232131.db2.gz OFPBNIIRDSPVEK-QGZVFWFLSA-N 0 3 369.421 2.612 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CCCN(c2ncccn2)C1 ZINC000595010195 520255512 /nfs/dbraw/zinc/25/55/12/520255512.db2.gz IQCMFUSZIIRDHW-KBPBESRZSA-N 0 3 357.414 2.713 20 5 FFBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CCN1C1CCCC1 ZINC000600470114 520278330 /nfs/dbraw/zinc/27/83/30/520278330.db2.gz FWDZYYFLWVVQFO-HNNXBMFYSA-N 0 3 351.834 2.924 20 5 FFBDHN CCOc1cc(C(=O)N[C@H]2CCN(C(C)(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000597922969 520324041 /nfs/dbraw/zinc/32/40/41/520324041.db2.gz HQWAZXQGLGSCCD-LBPRGKRZSA-N 0 3 365.430 2.605 20 5 FFBDHN CCN1CCCN(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000609522540 520342623 /nfs/dbraw/zinc/34/26/23/520342623.db2.gz XWTGUOLRQNFQRN-MRXNPFEDSA-N 0 3 374.485 2.999 20 5 FFBDHN COC(=O)COc1ccc(CN[C@H]2C[C@@H](OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000592374768 520355625 /nfs/dbraw/zinc/35/56/25/520355625.db2.gz IITCONNJNOCCIJ-OKILXGFUSA-N 0 3 366.414 2.582 20 5 FFBDHN CC(C)(C)OC(=O)C1(CNCc2ccc([N+](=O)[O-])cc2F)CCOCC1 ZINC000592372743 520355690 /nfs/dbraw/zinc/35/56/90/520355690.db2.gz NHIPBPOSIFUWFH-UHFFFAOYSA-N 0 3 368.405 2.962 20 5 FFBDHN COc1cccc(C(=O)N2CC[C@H](c3cccc(F)c3)[C@H](N)C2)c1[N+](=O)[O-] ZINC000595225209 520359617 /nfs/dbraw/zinc/35/96/17/520359617.db2.gz KCLBHVOHZMSOLF-GDBMZVCRSA-N 0 3 373.384 2.700 20 5 FFBDHN CCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCN(CC)C1 ZINC000598038254 520387425 /nfs/dbraw/zinc/38/74/25/520387425.db2.gz BOJCAYBNGNGQOW-GFCCVEGCSA-N 0 3 370.247 2.914 20 5 FFBDHN CCN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)[C@H]1CCN(CC)C1 ZINC000598039080 520389578 /nfs/dbraw/zinc/38/95/78/520389578.db2.gz IHSCCKLZEXCTMQ-HNNXBMFYSA-N 0 3 357.414 2.541 20 5 FFBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000609664481 520399568 /nfs/dbraw/zinc/39/95/68/520399568.db2.gz JJOQGSMHQCKCTC-MRXNPFEDSA-N 0 3 374.485 2.611 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCc2cccc(CN)c21 ZINC000600722156 520425263 /nfs/dbraw/zinc/42/52/63/520425263.db2.gz GKYKSYADQBUBKR-UHFFFAOYSA-N 0 3 354.410 2.753 20 5 FFBDHN CCN(CC)CCN(CC(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000604031933 520431419 /nfs/dbraw/zinc/43/14/19/520431419.db2.gz OIMJVLPEHCPMOM-UHFFFAOYSA-N 0 3 371.503 2.892 20 5 FFBDHN CN(C)[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000609849399 520456608 /nfs/dbraw/zinc/45/66/08/520456608.db2.gz QCTQRSYGVXQQQG-MRXNPFEDSA-N 0 3 351.410 2.545 20 5 FFBDHN C[C@H](N[C@H](CO)[C@@H](C)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000613390194 520480912 /nfs/dbraw/zinc/48/09/12/520480912.db2.gz ZNSCEDMOZMZUJD-SUNYJGFJSA-N 0 3 357.410 2.676 20 5 FFBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000598266505 520528413 /nfs/dbraw/zinc/52/84/13/520528413.db2.gz YWMSTENAZLUGCZ-HNNXBMFYSA-N 0 3 358.442 2.786 20 5 FFBDHN C[C@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC[C@H](C)C1 ZINC000604437763 520563818 /nfs/dbraw/zinc/56/38/18/520563818.db2.gz RDYRDTDQBLKMNI-LSDHHAIUSA-N 0 3 371.441 2.631 20 5 FFBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000604472370 520570681 /nfs/dbraw/zinc/57/06/81/520570681.db2.gz UZQNWGNAUNJTOD-INIZCTEOSA-N 0 3 356.426 2.575 20 5 FFBDHN CN(C)CCN(Cc1ccco1)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601129904 520651095 /nfs/dbraw/zinc/65/10/95/520651095.db2.gz NZVAMHVVVUGDMU-UHFFFAOYSA-N 0 3 361.324 2.508 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c1 ZINC000610392187 520663639 /nfs/dbraw/zinc/66/36/39/520663639.db2.gz ALPZMZZSBXXEMV-WBVHZDCISA-N 0 3 369.425 2.513 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](C(C)C)C2(CO)CC=CC2)c1 ZINC000593035518 520697467 /nfs/dbraw/zinc/69/74/67/520697467.db2.gz QFPAMFRGMJHRPD-KRWDZBQOSA-N 0 3 362.426 2.824 20 5 FFBDHN CC(C)O[C@@H]1CCCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000593054495 520711398 /nfs/dbraw/zinc/71/13/98/520711398.db2.gz FADJHBWHWBDOON-OAHLLOKOSA-N 0 3 363.414 2.782 20 5 FFBDHN COc1ccc(NC(=O)CCN2CCC[C@@H](OC(C)C)C2)c([N+](=O)[O-])c1 ZINC000593055719 520713712 /nfs/dbraw/zinc/71/37/12/520713712.db2.gz NIWVESMEGBUCFD-OAHLLOKOSA-N 0 3 365.430 2.821 20 5 FFBDHN Cc1c2cccc(C)c2oc1CN(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000593088235 520734917 /nfs/dbraw/zinc/73/49/17/520734917.db2.gz YMYXUUKJHNCTHE-HNNXBMFYSA-N 0 3 358.398 2.647 20 5 FFBDHN COC(=O)c1ccnc(NC[C@@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000598620472 520747701 /nfs/dbraw/zinc/74/77/01/520747701.db2.gz AYBVJCPUGSIXCJ-HNNXBMFYSA-N 0 3 370.409 2.710 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CC1=CCSC1 ZINC000595887923 520795083 /nfs/dbraw/zinc/79/50/83/520795083.db2.gz HXVVVCGCDNUHBO-UHFFFAOYSA-N 0 3 351.428 2.537 20 5 FFBDHN CN1CCC(n2cc(NC(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000601777827 520947181 /nfs/dbraw/zinc/94/71/81/520947181.db2.gz LQBNLJHXVRNPHA-ZWKOTPCHSA-N 0 3 369.425 2.800 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596176214 520953442 /nfs/dbraw/zinc/95/34/42/520953442.db2.gz BBYSXHJNSPSKBM-LSDHHAIUSA-N 0 3 368.437 2.793 20 5 FFBDHN O=[N+]([O-])c1c2ccncc2ccc1N1CCN(CC2CCOCC2)CC1 ZINC000599049396 520999547 /nfs/dbraw/zinc/99/95/47/520999547.db2.gz WXUBPBKQQGLZIZ-UHFFFAOYSA-N 0 3 356.426 2.692 20 5 FFBDHN CC(=O)c1cc(NCc2ccc(CN3CC[C@H](O)C3)cc2)ccc1[N+](=O)[O-] ZINC000596422593 521063554 /nfs/dbraw/zinc/06/35/54/521063554.db2.gz FVYADGPVTRKTEF-SFHVURJKSA-N 0 3 369.421 2.976 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCCN(C[C@@H]3CCCO3)CC2)c2ncccc12 ZINC000611296542 521086586 /nfs/dbraw/zinc/08/65/86/521086586.db2.gz UJHGSGIJEATIRY-HNNXBMFYSA-N 0 3 356.426 2.834 20 5 FFBDHN O=[N+]([O-])c1ccc2[nH]c(N3CC[C@@H](OCCN4CCCCC4)C3)nc2c1 ZINC000618588143 521136112 /nfs/dbraw/zinc/13/61/12/521136112.db2.gz QTSURTJAMRCIQS-OAHLLOKOSA-N 0 3 359.430 2.552 20 5 FFBDHN CN(c1ccccc1)c1ccc(CNCC[C@@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000593670963 521142896 /nfs/dbraw/zinc/14/28/96/521142896.db2.gz NNPDMWGJRPAMKG-HXUWFJFHSA-N 0 3 371.437 2.994 20 5 FFBDHN CCN1C[C@@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1=O ZINC000593686335 521155813 /nfs/dbraw/zinc/15/58/13/521155813.db2.gz GYKYDJCSSWZFGN-GFCCVEGCSA-N 0 3 360.439 2.676 20 5 FFBDHN C[C@@H](CCO)C1(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCC1 ZINC000611443464 521161032 /nfs/dbraw/zinc/16/10/32/521161032.db2.gz VSXHFIBSOGWBPO-ZDUSSCGKSA-N 0 3 350.415 2.644 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(C[C@H]1COCCO1)C(F)(F)F ZINC000596618443 521168190 /nfs/dbraw/zinc/16/81/90/521168190.db2.gz BGTUGYLZUVZFJU-NWDGAFQWSA-N 0 3 362.304 2.826 20 5 FFBDHN CCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCN(C)C1 ZINC000596694855 521227869 /nfs/dbraw/zinc/22/78/69/521227869.db2.gz PDNYRSMBBVDKGZ-LLVKDONJSA-N 0 3 358.345 2.754 20 5 FFBDHN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccnc(OCCN(C)C)c1 ZINC000602241974 521232769 /nfs/dbraw/zinc/23/27/69/521232769.db2.gz NBSRWZFKQZEXBM-CYBMUJFWSA-N 0 3 370.409 2.522 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000596845418 521328484 /nfs/dbraw/zinc/32/84/84/521328484.db2.gz UDIGFDRYCJFMRN-CYBMUJFWSA-N 0 3 350.419 2.845 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000596890184 521358622 /nfs/dbraw/zinc/35/86/22/521358622.db2.gz LDIGDGKZGDWQME-CQSZACIVSA-N 0 3 350.419 2.942 20 5 FFBDHN COC(=O)[C@](C)(NCCN1C[C@H](C)C[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599651152 521362089 /nfs/dbraw/zinc/36/20/89/521362089.db2.gz HLBHHIAMIPDAES-SPYBWZPUSA-N 0 3 363.458 2.551 20 5 FFBDHN CCOc1ccc(NC(=O)CN[C@H](CC)[C@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000594044447 521370078 /nfs/dbraw/zinc/37/00/78/521370078.db2.gz QXQYLMVYKXGCFY-RHSMWYFYSA-N 0 3 365.430 2.869 20 5 FFBDHN CCC1(N2CCOCC2)CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000599663836 521377030 /nfs/dbraw/zinc/37/70/30/521377030.db2.gz KTOPQGVERYVKKD-UHFFFAOYSA-N 0 3 369.412 2.950 20 5 FFBDHN CCCOc1ncccc1CNC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602526521 521395020 /nfs/dbraw/zinc/39/50/20/521395020.db2.gz DCINJOBNTQELMZ-UHFFFAOYSA-N 0 3 371.441 2.932 20 5 FFBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOc2ccc(CN)cc21 ZINC000602576143 521420017 /nfs/dbraw/zinc/42/00/17/521420017.db2.gz NCDHMXPDLDLNHQ-LBPRGKRZSA-N 0 3 373.434 2.960 20 5 FFBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000594200284 521466667 /nfs/dbraw/zinc/46/66/67/521466667.db2.gz KMSQHOWGEBEMOB-HOTGVXAUSA-N 0 3 369.425 2.527 20 5 FFBDHN C[C@H](NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)C1=CCN(C)CC1 ZINC000597101834 521507384 /nfs/dbraw/zinc/50/73/84/521507384.db2.gz UXCAWBJXQJAYIZ-VIFPVBQESA-N 0 3 353.810 2.602 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC2(CC1)OCCc1ccccc12 ZINC000602839274 521563693 /nfs/dbraw/zinc/56/36/93/521563693.db2.gz XLDDACJXTQBKNG-UHFFFAOYSA-N 0 3 356.426 2.664 20 5 FFBDHN C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1cccs1 ZINC000825850789 607448508 /nfs/dbraw/zinc/44/85/08/607448508.db2.gz RXLOSRLYLKFXMK-ZDUSSCGKSA-N 0 3 359.415 2.551 20 5 FFBDHN CC([C@H](OC(=O)Cn1ccc(C(F)F)n1)c1ccccc1F)[N+](=O)[O-] ZINC000860855266 730554170 /nfs/dbraw/zinc/55/41/70/730554170.db2.gz WDAGJEJYLIQNRI-OTYXRUKQSA-N 0 3 357.288 2.910 20 5 FFBDHN COc1cc(CNCC[C@@H](N(C)C)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000922753223 738195714 /nfs/dbraw/zinc/19/57/14/738195714.db2.gz MZDAJLMIGZIPAK-CQSZACIVSA-N 0 3 365.352 2.584 20 5 FFBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000872052691 731724352 /nfs/dbraw/zinc/72/43/52/731724352.db2.gz GDXYWVYTFJFZKV-WHOFXGATSA-N 0 3 367.471 2.603 20 5 FFBDHN CC(C)(CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(F)F ZINC000872230991 731743037 /nfs/dbraw/zinc/74/30/37/731743037.db2.gz BXGFIZJCHYNGCO-UHFFFAOYSA-N 0 3 350.387 2.640 20 5 FFBDHN COC[C@H](NCCn1ccc([N+](=O)[O-])n1)c1cccc(Br)c1 ZINC000879662209 732745833 /nfs/dbraw/zinc/74/58/33/732745833.db2.gz UIGJYAANRANDPY-ZDUSSCGKSA-N 0 3 369.219 2.531 20 5 FFBDHN COc1cc(CNCC2CSC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000895422841 735004653 /nfs/dbraw/zinc/00/46/53/735004653.db2.gz PYJIUFDXLMOSBR-UHFFFAOYSA-N 0 3 366.361 2.997 20 5 FFBDHN CO[C@@H](CNCc1ccc(Br)cc1[N+](=O)[O-])C1CCOCC1 ZINC000895611179 735031927 /nfs/dbraw/zinc/03/19/27/735031927.db2.gz SKBLJKFWSJSRSX-HNNXBMFYSA-N 0 3 373.247 2.889 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCC(NCc3nc4c(s3)CCC4)CC2)cn1 ZINC000896288045 735132969 /nfs/dbraw/zinc/13/29/69/735132969.db2.gz SHPVVVVJOZLXNE-UHFFFAOYSA-N 0 3 359.455 2.694 20 5 FFBDHN COc1cc([C@H](C)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cc([N+](=O)[O-])c1 ZINC000903120903 736034935 /nfs/dbraw/zinc/03/49/35/736034935.db2.gz PBMBPCFSWNSSJX-NORZTCDRSA-N 0 3 356.444 2.610 20 5 FFBDHN CN(C(=O)CCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCN(C2CC2)C1 ZINC000906649790 736529302 /nfs/dbraw/zinc/52/93/02/736529302.db2.gz CWAXHJSYWKJVAC-HNNXBMFYSA-N 0 3 351.834 2.876 20 5 FFBDHN C[C@H](OC(=O)C1CC[C@H](C(F)(F)F)NC1=O)c1cccc([N+](=O)[O-])c1 ZINC000914671656 737588244 /nfs/dbraw/zinc/58/82/44/737588244.db2.gz ONCSEYDOIXVMQL-KPXOXKRLSA-N 0 3 360.288 2.656 20 5 FFBDHN CSCc1ccc(CN[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000921747756 738036539 /nfs/dbraw/zinc/03/65/39/738036539.db2.gz ZIHGGHOOKVFLOI-MSOLQXFVSA-N 0 3 362.451 2.642 20 5 FFBDHN COc1cc(C[NH2+]CC[C@@H]2CC[C@@H](C(F)(F)F)O2)c([N+](=O)[O-])cc1[O-] ZINC000922679358 738183664 /nfs/dbraw/zinc/18/36/64/738183664.db2.gz QGEDTSSBXIVPFD-HZMBPMFUSA-N 0 3 364.320 2.899 20 5 FFBDHN O=C(N1CCC[C@H]1CN1CCCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778254187 738366919 /nfs/dbraw/zinc/36/69/19/738366919.db2.gz TZHYDHXHWCCQQO-HNNXBMFYSA-N 0 3 353.369 2.773 20 5 FFBDHN C[C@](CO)(NC[C@H]1CCC[C@@H](C(F)(F)F)O1)c1cccc([N+](=O)[O-])c1 ZINC000931469731 739270303 /nfs/dbraw/zinc/27/03/03/739270303.db2.gz FOORVJNYBOMPLR-QLFBSQMISA-N 0 3 362.348 2.892 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000932188049 739400847 /nfs/dbraw/zinc/40/08/47/739400847.db2.gz IKHFQGBEWJKCHE-CYBMUJFWSA-N 0 3 361.471 2.925 20 5 FFBDHN CN(C)Cc1ccc(S(=O)(=O)Oc2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000790042400 739411286 /nfs/dbraw/zinc/41/12/86/739411286.db2.gz ZANRFNSLHDVXGT-UHFFFAOYSA-N 0 3 354.359 2.563 20 5 FFBDHN CCOc1c(Br)cc(C(=O)OCC(C)[N+](=O)[O-])cc1OC ZINC000813103945 741677301 /nfs/dbraw/zinc/67/73/01/741677301.db2.gz VCAVOKDJTGJOHU-QMMMGPOBSA-N 0 3 362.176 2.678 20 5 FFBDHN CC(COC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)[N+](=O)[O-] ZINC000813103909 741677411 /nfs/dbraw/zinc/67/74/11/741677411.db2.gz IAQKNKYAQSADBD-IUDNXUCKSA-N 0 3 354.447 2.840 20 5 FFBDHN CCCc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1-c1cccc(Cl)c1 ZINC000813103531 741677611 /nfs/dbraw/zinc/67/76/11/741677611.db2.gz CZQZRQBHQSZIJM-SNVBAGLBSA-N 0 3 352.778 2.695 20 5 FFBDHN Cc1ccc(-n2nc(Br)cc2C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813113156 741678299 /nfs/dbraw/zinc/67/82/99/741678299.db2.gz OAWOKDNZOSKRSE-JTQLQIEISA-N 0 3 368.187 2.765 20 5 FFBDHN CC(COC(=O)C1CCN(c2noc3ccc(Cl)cc32)CC1)[N+](=O)[O-] ZINC000816091093 741993648 /nfs/dbraw/zinc/99/36/48/741993648.db2.gz KTRTXKDYJICRDV-SNVBAGLBSA-N 0 3 367.789 2.906 20 5 FFBDHN C[C@H](NC[C@H](O)CCNC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000830173235 745318062 /nfs/dbraw/zinc/31/80/62/745318062.db2.gz WBTSSBDIEBZEQJ-SWLSCSKDSA-N 0 3 353.419 2.521 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(C(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1Cl ZINC000836764469 746300401 /nfs/dbraw/zinc/30/04/01/746300401.db2.gz LPYJAXAEPDBJDR-CYBMUJFWSA-N 0 3 367.833 2.540 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000836779643 746304618 /nfs/dbraw/zinc/30/46/18/746304618.db2.gz ICDCPQXLMVTKIQ-UONOGXRCSA-N 0 3 357.863 2.674 20 5 FFBDHN CC(C)NC(=O)CCCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873987 748341242 /nfs/dbraw/zinc/34/12/42/748341242.db2.gz GGCXQHDAPWQFEG-SJKOYZFVSA-N 0 3 354.378 2.770 20 5 FFBDHN C[C@@]1(NC[C@H](O)COc2ccccc2[N+](=O)[O-])CCOc2ccccc21 ZINC000933367909 964202785 /nfs/dbraw/zinc/20/27/85/964202785.db2.gz ASOVOKYIKGFUAO-IFXJQAMLSA-N 0 3 358.394 2.622 20 5 FFBDHN Cc1cccc(CN(CCN(C)C)C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000825694088 1013621385 /nfs/dbraw/zinc/62/13/85/1013621385.db2.gz RDROGKVAKAFHJE-LJQANCHMSA-N 0 3 371.437 2.527 20 5 FFBDHN CCCCCCN(C)CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000135538966 968079659 /nfs/dbraw/zinc/07/96/59/968079659.db2.gz OFOHJSSEKWTHGW-OAHLLOKOSA-N 0 3 363.462 2.515 20 5 FFBDHN COCCN1CCC(Oc2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC001226788937 968089629 /nfs/dbraw/zinc/08/96/29/968089629.db2.gz BSZKWEMCILWBDG-UHFFFAOYSA-N 0 3 359.220 2.847 20 5 FFBDHN C[C@@H](NC[C@H]1COCCN1C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000311304460 969869408 /nfs/dbraw/zinc/86/94/08/969869408.db2.gz OCJGCPJIBCFHOT-CJNGLKHVSA-N 0 3 365.430 2.881 20 5 FFBDHN Cc1ncccc1OC[C@@H]1CCCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000842173445 976715244 /nfs/dbraw/zinc/71/52/44/976715244.db2.gz PSEPUHRJAQKREQ-ZWKOTPCHSA-N 0 3 357.410 2.875 20 5 FFBDHN Cn1cc([N+](=O)[O-])c(C(=O)OC[C@]2(C)CCCN2Cc2ccccc2)n1 ZINC000780396829 981291319 /nfs/dbraw/zinc/29/13/19/981291319.db2.gz DPBPYQAFNXKJGO-SFHVURJKSA-N 0 3 358.398 2.540 20 5 FFBDHN CONC(=O)C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000877786632 1014729374 /nfs/dbraw/zinc/72/93/74/1014729374.db2.gz QSCCZFGEKVFDQY-UHFFFAOYSA-N 0 3 359.382 2.744 20 5 FFBDHN CCN(C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)C1CCN(C)CC1 ZINC000897897537 982547056 /nfs/dbraw/zinc/54/70/56/982547056.db2.gz YBDTYXXCTSQVDI-UHFFFAOYSA-N 0 3 356.426 2.887 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000193054015 987278500 /nfs/dbraw/zinc/27/85/00/987278500.db2.gz YVNXCSGYHXNLMH-SFHVURJKSA-N 0 3 354.410 2.865 20 5 FFBDHN CCCC[C@H](C)N(C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000810125049 994708141 /nfs/dbraw/zinc/70/81/41/994708141.db2.gz MXSXRUNIDAKLAJ-INIZCTEOSA-N 0 3 362.474 2.754 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000823981541 996772052 /nfs/dbraw/zinc/77/20/52/996772052.db2.gz ZLFFQTLOWCSMEM-CZUORRHYSA-N 0 3 369.425 2.962 20 5 FFBDHN O=C(N[C@@H](CN1CCCC1)c1ccccc1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824616432 997014804 /nfs/dbraw/zinc/01/48/04/997014804.db2.gz VWGMXBDSGSKORX-RBUKOAKNSA-N 0 3 369.421 2.582 20 5 FFBDHN CC([C@@H](OC(=O)[C@H](C)NC(=O)OC(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845875110 998676677 /nfs/dbraw/zinc/67/66/77/998676677.db2.gz LOIILMJYMYKPFJ-MISXGVKJSA-N 0 3 370.377 2.988 20 5 FFBDHN CC([C@@H](OC(=O)[C@H](C)NC(=O)c1ccccc1)c1ccccc1F)[N+](=O)[O-] ZINC000845873504 998677008 /nfs/dbraw/zinc/67/70/08/998677008.db2.gz UXIXPSOZUXCZBE-OGHNNQOOSA-N 0 3 374.368 2.894 20 5 FFBDHN CCC(=O)N1CCC[C@H](C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])C1 ZINC000845875924 998677122 /nfs/dbraw/zinc/67/71/22/998677122.db2.gz OFHPSIKWCNKCTR-GDZNZVCISA-N 0 3 366.389 2.724 20 5 FFBDHN C/C(=C\C(=O)NC(C)(C)CCN1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000771663333 1001171980 /nfs/dbraw/zinc/17/19/80/1001171980.db2.gz MGZRWMQPFSSGET-FOCLMDBBSA-N 0 3 374.485 2.530 20 5 FFBDHN Cc1c(N(C(=N)N)c2ccc(N3CCOCC3)cc2)cc(F)cc1[N+](=O)[O-] ZINC001170166908 1003013289 /nfs/dbraw/zinc/01/32/89/1003013289.db2.gz WXPBOHNUKIHEFP-UHFFFAOYSA-N 0 3 373.388 2.910 20 5 FFBDHN Cc1c(F)cc([N+](=O)[O-])cc1N(C(=N)N)c1ccc(N2CCOCC2)cc1 ZINC001170170432 1003025622 /nfs/dbraw/zinc/02/56/22/1003025622.db2.gz QUXIMIBFTNJHCP-UHFFFAOYSA-N 0 3 373.388 2.910 20 5 FFBDHN COC(=O)N1CCC[C@H]([C@H](C)NCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000775814085 1004458967 /nfs/dbraw/zinc/45/89/67/1004458967.db2.gz DXVWDNXELMVOFF-RYUDHWBXSA-N 0 3 362.386 2.693 20 5 FFBDHN COC(=O)N1CCC[C@@H]([C@@H](C)NCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000775814087 1004459054 /nfs/dbraw/zinc/45/90/54/1004459054.db2.gz DXVWDNXELMVOFF-VXGBXAGGSA-N 0 3 362.386 2.693 20 5 FFBDHN COc1cc(N2CCN(c3ccncc3OC)CC2)c([N+](=O)[O-])cc1C ZINC000853563470 1006446103 /nfs/dbraw/zinc/44/61/03/1006446103.db2.gz AWHUBVVTYOEKIP-UHFFFAOYSA-N 0 3 358.398 2.642 20 5 FFBDHN O=[N+]([O-])c1c(NCC2CCN(Cc3ccncc3)CC2)nc2ccccn21 ZINC000853810624 1006542705 /nfs/dbraw/zinc/54/27/05/1006542705.db2.gz BTNIHOSOHUZYPA-UHFFFAOYSA-N 0 3 366.425 2.962 20 5 FFBDHN O=C1NCCN1c1ccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000883287005 1006734373 /nfs/dbraw/zinc/73/43/73/1006734373.db2.gz IOXBLQWZUCALJW-QGZVFWFLSA-N 0 3 352.394 2.902 20 5 FFBDHN CC[C@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000113438174 1007405969 /nfs/dbraw/zinc/40/59/69/1007405969.db2.gz RJFHZUVNQBPQBU-AWEZNQCLSA-N 0 3 364.402 2.806 20 5 FFBDHN COc1cc2c(cc1CNC[C@H](O)c1cccc([N+](=O)[O-])c1)O[C@@H](C)C2 ZINC000819183420 1008060567 /nfs/dbraw/zinc/06/05/67/1008060567.db2.gz WPIKAUPHZHLRAE-SJCJKPOMSA-N 0 3 358.394 2.750 20 5 FFBDHN Cc1nn(CCC(=O)O[C@@H]2CCN(Cc3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000117093820 1008757327 /nfs/dbraw/zinc/75/73/27/1008757327.db2.gz YFJISXPQTJBCSE-QGZVFWFLSA-N 0 3 372.425 2.616 20 5 FFBDHN Nc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000824008625 1009291183 /nfs/dbraw/zinc/29/11/83/1009291183.db2.gz RVEQCEHWIDXWPG-OAHLLOKOSA-N 0 3 355.398 2.573 20 5 FFBDHN Cc1cc(F)cc(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)c1[N+](=O)[O-] ZINC000794562718 1010334795 /nfs/dbraw/zinc/33/47/95/1010334795.db2.gz ADWQKRIHKHBTHG-MRXNPFEDSA-N 0 3 373.384 2.861 20 5 FFBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2cccc3c2OCCO3)n1 ZINC000774244599 1010540808 /nfs/dbraw/zinc/54/08/08/1010540808.db2.gz QLJXEHYFPAWXSG-HUUCEWRRSA-N 0 3 358.398 2.836 20 5 FFBDHN C[C@@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000865697264 1010844603 /nfs/dbraw/zinc/84/46/03/1010844603.db2.gz VKDXAVVWARTBJL-AWEZNQCLSA-N 0 3 359.401 2.913 20 5 FFBDHN Cc1cc(F)c([N+](=O)[O-])cc1-c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001216966381 1032575309 /nfs/dbraw/zinc/57/53/09/1032575309.db2.gz FMKQVCBDTJRKFX-UHFFFAOYSA-N 0 3 355.329 2.800 20 5 FFBDHN O=[N+]([O-])c1cc(F)c(N2CCC(N3CC[C@@]34CCOC4)CC2)c(F)c1 ZINC001173017429 1012189281 /nfs/dbraw/zinc/18/92/81/1012189281.db2.gz DWFPVDDGIMWCGP-KRWDZBQOSA-N 0 3 353.369 2.707 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@@H]2Cc3ccccc3NC2=O)c1F ZINC001173180005 1012322736 /nfs/dbraw/zinc/32/27/36/1012322736.db2.gz RYSYMEOIDBASPW-IAQYHMDHSA-N 0 3 373.384 2.827 20 5 FFBDHN CCOC(=O)C1(N[C@H](C)Cc2ccc([N+](=O)[O-])cc2)CCN(CC)CC1 ZINC001173221355 1012351824 /nfs/dbraw/zinc/35/18/24/1012351824.db2.gz MLAHEJRGFZBTNY-OAHLLOKOSA-N 0 3 363.458 2.533 20 5 FFBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cc(OC2CCOCC2)ncn1 ZINC001173223603 1012355650 /nfs/dbraw/zinc/35/56/50/1012355650.db2.gz IWFNXBIVBUCVIL-CQSZACIVSA-N 0 3 372.425 2.663 20 5 FFBDHN CCOc1cc(CN2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)ccc1[N+](=O)[O-] ZINC000932018126 1020668903 /nfs/dbraw/zinc/66/89/03/1020668903.db2.gz ACKAJDCFKUINGD-KBXCAEBGSA-N 0 3 363.414 2.704 20 5 FFBDHN COc1cc(O[C@H]2CCCC[NH2+]C2)c2c(c1)oc1c([O-])ccc(O)c1c2=O ZINC001217970724 1032925037 /nfs/dbraw/zinc/92/50/37/1032925037.db2.gz HTGJDAXYJVCHEB-NSHDSACASA-N 0 3 371.389 2.887 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@@H](Cn2cccn2)c2ccccc2)c1 ZINC000750108493 1021355889 /nfs/dbraw/zinc/35/58/89/1021355889.db2.gz URCJJAJENPGQRI-RBUKOAKNSA-N 0 3 352.394 2.856 20 5 FFBDHN O=C(Nc1cccc(CN2CCC(O)CC2)c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000754879171 1023532293 /nfs/dbraw/zinc/53/22/93/1023532293.db2.gz WKHHTTIQFCLOPT-UHFFFAOYSA-N 0 3 373.384 2.943 20 5 FFBDHN O=[N+]([O-])c1cc(O[C@@H]2CNCCC2(F)F)c(Br)cc1F ZINC001218448935 1033161691 /nfs/dbraw/zinc/16/16/91/1033161691.db2.gz SBLITMUFUYCXIK-SNVBAGLBSA-N 0 3 355.110 2.872 20 5 FFBDHN O=[N+]([O-])c1cc(F)c(O[C@H]2CNCCC2(F)F)c(Br)c1 ZINC001218456123 1033164219 /nfs/dbraw/zinc/16/42/19/1033164219.db2.gz ZOTOANKKRZERQA-VIFPVBQESA-N 0 3 355.110 2.872 20 5 FFBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000195131610 1024945968 /nfs/dbraw/zinc/94/59/68/1024945968.db2.gz VCEKTGZYAWYIJE-GOSISDBHSA-N 0 3 354.410 2.744 20 5 FFBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000195131616 1024946248 /nfs/dbraw/zinc/94/62/48/1024946248.db2.gz VCEKTGZYAWYIJE-SFHVURJKSA-N 0 3 354.410 2.744 20 5 FFBDHN NCc1ccc2c(n1)N(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)CCC2 ZINC001158647717 1027084036 /nfs/dbraw/zinc/08/40/36/1027084036.db2.gz SWIGOBOCRCECEX-UHFFFAOYSA-N 0 3 369.759 2.999 20 5 FFBDHN COc1cnc(NC2CCN(Cc3ccc(O)cc3)CC2)c([N+](=O)[O-])c1 ZINC001161131893 1028026633 /nfs/dbraw/zinc/02/66/33/1028026633.db2.gz SORFXJLPJSNMSQ-UHFFFAOYSA-N 0 3 358.398 2.781 20 5 FFBDHN COc1c([N+](=O)[O-])cc(Cl)c(C)c1NCCCN1CCN(C)CC1 ZINC001161709717 1028291591 /nfs/dbraw/zinc/29/15/91/1028291591.db2.gz FRWRFRMWTGMXET-UHFFFAOYSA-N 0 3 356.854 2.615 20 5 FFBDHN O=C(NC[C@@H]1CCCCN1C1CC1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001156965346 1029424684 /nfs/dbraw/zinc/42/46/84/1029424684.db2.gz VCOAFXKLXHVHDV-INIZCTEOSA-N 0 3 369.425 2.732 20 5 FFBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001142303916 1030289052 /nfs/dbraw/zinc/28/90/52/1030289052.db2.gz WQFDCPSJKCYXSA-PWSUYJOCSA-N 0 3 363.805 2.537 20 5 FFBDHN CC(COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21)[N+](=O)[O-] ZINC000842801341 1030964431 /nfs/dbraw/zinc/96/44/31/1030964431.db2.gz HMQXZLUICOFQQD-DOMZBBRYSA-N 0 3 364.398 2.729 20 5 FFBDHN Cc1ccc(Cc2nc(-c3ccc4c(n3)CCNC4)no2)cc1[N+](=O)[O-] ZINC001205188191 1031583099 /nfs/dbraw/zinc/58/30/99/1031583099.db2.gz NFNSSTYQAMTQIZ-UHFFFAOYSA-N 0 3 351.366 2.585 20 5 FFBDHN Cc1nn(CN2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)c2ncc([N+](=O)[O-])cc12 ZINC000799153844 1031669443 /nfs/dbraw/zinc/66/94/43/1031669443.db2.gz AXONWFPFLWTVEB-QRVDHSFSSA-N 0 3 373.457 2.867 20 5 FFBDHN COc1cc(CN[C@@H](CCO)Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000799349798 1031745015 /nfs/dbraw/zinc/74/50/15/1031745015.db2.gz KIRPUBMQPQZIPW-INIZCTEOSA-N 0 3 360.410 2.695 20 5 FFBDHN COc1ccc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000799995852 1031944412 /nfs/dbraw/zinc/94/44/12/1031944412.db2.gz ZWSRRFVTUHNCOR-UHFFFAOYSA-N 0 3 374.353 2.630 20 5 FFBDHN CCOc1cc(NC(=O)NC[C@H]2CCN2C(C)(C)C)ccc1[N+](=O)[O-] ZINC001219317467 1033597020 /nfs/dbraw/zinc/59/70/20/1033597020.db2.gz BOBYUWMAALBCJQ-CYBMUJFWSA-N 0 3 350.419 2.988 20 5 FFBDHN O=C(Nc1ccc([N+](=O)[O-])c2ccccc12)N[C@H]1CCCN(CCCO)C1 ZINC001220437514 1034177225 /nfs/dbraw/zinc/17/72/25/1034177225.db2.gz DIPRONZYWOAIMA-AWEZNQCLSA-N 0 3 372.425 2.716 20 5 FFBDHN CC(C)N1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C2 ZINC001226061011 1034509041 /nfs/dbraw/zinc/50/90/41/1034509041.db2.gz CSLIBGHIGTXZTE-NHAGDIPZSA-N 0 3 368.455 2.781 20 5 FFBDHN Cc1ccc(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001221093093 1034542510 /nfs/dbraw/zinc/54/25/10/1034542510.db2.gz PCAYTMYQTPBSFS-SFHVURJKSA-N 0 3 368.437 2.977 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000835066776 1035503618 /nfs/dbraw/zinc/50/36/18/1035503618.db2.gz BXENDRCBMODMFM-MRXNPFEDSA-N 0 3 365.430 2.629 20 5 FFBDHN COCCN1CCC(Oc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001227603974 1035633957 /nfs/dbraw/zinc/63/39/57/1035633957.db2.gz NXSVVLSIFDKKKZ-UHFFFAOYSA-N 0 3 364.320 2.983 20 5 FFBDHN CN(C)Cc1c(O[C@@H]2COc3nc([N+](=O)[O-])cn3C2)ccc2ccccc21 ZINC001228442389 1036115705 /nfs/dbraw/zinc/11/57/05/1036115705.db2.gz SPHFWHBFFPYPSI-AWEZNQCLSA-N 0 3 368.393 2.846 20 5 FFBDHN CN1CCC(Oc2cccc(I)c2[N+](=O)[O-])CC1 ZINC001229657895 1036810481 /nfs/dbraw/zinc/81/04/81/1036810481.db2.gz YDVHYQUKRIBIQZ-UHFFFAOYSA-N 0 3 362.167 2.672 20 5 FFBDHN CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3nccc4c3cccc4[N+](=O)[O-])C[C@H]1N2C ZINC001234677285 1037137370 /nfs/dbraw/zinc/13/73/70/1037137370.db2.gz TYTHWVLGTKQLOL-UHIXZJCNSA-N 0 3 371.393 2.689 20 5 FFBDHN COCCCN1CCC(Oc2ccc([N+](=O)[O-])c(CC(C)=O)c2F)CC1 ZINC001230795947 1037362365 /nfs/dbraw/zinc/36/23/65/1037362365.db2.gz DNKQQLQZJCRVKN-UHFFFAOYSA-N 0 3 368.405 2.745 20 5 FFBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC(NC(=O)N2CCCC2)CC1 ZINC001254571370 1040807071 /nfs/dbraw/zinc/80/70/71/1040807071.db2.gz UAMVJNQKNOKKAQ-OAHLLOKOSA-N 0 3 360.458 2.796 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCN(CCc3cccs3)CC1)C2 ZINC001254601205 1040832391 /nfs/dbraw/zinc/83/23/91/1040832391.db2.gz VSZUGJQZDYQEOS-SFHVURJKSA-N 0 3 357.479 2.984 20 5 FFBDHN Cc1cc(F)c(-c2nc(-c3ccc4c(n3)CCNC4)no2)cc1[N+](=O)[O-] ZINC001216951066 1042170474 /nfs/dbraw/zinc/17/04/74/1042170474.db2.gz PACHFYMIYSPEDS-UHFFFAOYSA-N 0 3 355.329 2.800 20 5 FFBDHN COc1ccc(C[C@@H](C)N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC001319315927 1045107538 /nfs/dbraw/zinc/10/75/38/1045107538.db2.gz SIISTEIJNOOBJV-CYBMUJFWSA-N 0 3 357.410 2.765 20 5 FFBDHN CC(C)(C)N1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001319404798 1045139599 /nfs/dbraw/zinc/13/95/99/1045139599.db2.gz RXKRIKCCOWUCCN-UHFFFAOYSA-N 0 3 354.838 2.603 20 5 FFBDHN Cc1nc(NCc2cccc(CN3CCN(C)CC3)c2)ccc1[N+](=O)[O-] ZINC001319654035 1045228795 /nfs/dbraw/zinc/22/87/95/1045228795.db2.gz CGGWNYYKWISDPW-UHFFFAOYSA-N 0 3 355.442 2.658 20 5 FFBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CCN(c2cnn(C)c2)C1 ZINC001329642007 1048824899 /nfs/dbraw/zinc/82/48/99/1048824899.db2.gz GEEGCALOIMFIKS-CHWSQXEVSA-N 0 3 361.471 2.980 20 5 FFBDHN COc1c(O)ccc(CNC[C@]2(CO)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC001308793428 1052500344 /nfs/dbraw/zinc/50/03/44/1052500344.db2.gz SKBWPAVWXYAACL-KXBFYZLASA-N 0 3 358.394 2.565 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(Nc3ccccc3)CC2)c1 ZINC001334934620 1053155791 /nfs/dbraw/zinc/15/57/91/1053155791.db2.gz BDBQKXYQLQVYJN-LJQANCHMSA-N 0 3 371.437 2.911 20 5 FFBDHN Cc1cc2ncn(C[C@@H](O)CNCc3ccccc3[N+](=O)[O-])c2cc1C ZINC001336697926 1054147007 /nfs/dbraw/zinc/14/70/07/1054147007.db2.gz CBFPZIMTWYSPSD-INIZCTEOSA-N 0 3 354.410 2.712 20 5 FFBDHN CC(COC(=O)c1ccc(Cn2cc(Br)cn2)s1)[N+](=O)[O-] ZINC001515230904 1059446879 /nfs/dbraw/zinc/44/68/79/1059446879.db2.gz VIHSUYGHAUCYIZ-QMMMGPOBSA-N 0 3 374.216 2.577 20 5 FFBDHN O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1CN1CC[C@H](C2CCOCC2)C1 ZINC000848481748 1060116899 /nfs/dbraw/zinc/11/68/99/1060116899.db2.gz CQRJQHWOQYASOZ-HKUYNNGSSA-N 0 3 373.453 2.617 20 5 FFBDHN Cc1c(CNC[C@@H](O)COc2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC001461167742 1061233020 /nfs/dbraw/zinc/23/30/20/1061233020.db2.gz SSIJXTYNQPXKHX-CYBMUJFWSA-N 0 3 352.337 2.711 20 5 FFBDHN COc1c(O)ccc(CNC[C@@](C)(O)c2ccccc2Cl)c1[N+](=O)[O-] ZINC001462045584 1061487106 /nfs/dbraw/zinc/48/71/06/1061487106.db2.gz BGVGEQFZHHZNCO-QGZVFWFLSA-N 0 3 366.801 2.960 20 5 FFBDHN O=C(c1ccc([N+](=O)[O-])s1)N1C[C@@H](C[C@H]2COCCN2)c2ccccc21 ZINC001523288237 1062424466 /nfs/dbraw/zinc/42/44/66/1062424466.db2.gz WYTNUFAHQMBKHF-OLZOCXBDSA-N 0 3 373.434 2.779 20 5 FFBDHN CC1CCC(N2CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC001531511903 1062786569 /nfs/dbraw/zinc/78/65/69/1062786569.db2.gz YVDRRDCYFDWLSD-UHFFFAOYSA-N 0 3 363.433 2.999 20 5 FFBDHN COc1cc([N+](=O)[O-])cnc1NC(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC001438799497 1063048705 /nfs/dbraw/zinc/04/87/05/1063048705.db2.gz KCEDTAXYKKXFGE-VHSXEESVSA-N 0 3 363.292 2.685 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001465900087 1063256497 /nfs/dbraw/zinc/25/64/97/1063256497.db2.gz NFOFCXZTVPPUMS-BZNIZROVSA-N 0 3 354.410 2.543 20 5 FFBDHN Cc1c(NC(=O)N[C@H]2CCN(C)[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC001466389165 1063420383 /nfs/dbraw/zinc/42/03/83/1063420383.db2.gz QGYUZBMVUBEFFF-KOLCDFICSA-N 0 3 371.235 2.880 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCCN1C(=O)COc2ccccc21 ZINC001473990255 1065434609 /nfs/dbraw/zinc/43/46/09/1065434609.db2.gz MGPCRYCOWIDIMF-UHFFFAOYSA-N 0 3 355.394 2.727 20 5 FFBDHN COC(=O)c1cc(NC(=O)C[C@H]2NCc3ccccc32)cc([N+](=O)[O-])c1 ZINC001578859465 1078535091 /nfs/dbraw/zinc/53/50/91/1078535091.db2.gz SCZAFOSYRLYLIV-MRXNPFEDSA-N 0 3 355.350 2.555 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)n1 ZINC001556897482 1075786844 /nfs/dbraw/zinc/78/68/44/1075786844.db2.gz LYDAPZQLQGEOOV-YOEHRIQHSA-N 0 3 354.410 2.691 20 5 FFBDHN CCOc1ccccc1OCCN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001560066399 1076221007 /nfs/dbraw/zinc/22/10/07/1076221007.db2.gz SZNLCIZQUAVINM-IBGZPJMESA-N 0 3 360.410 2.870 20 5 FFBDHN C[C@](CO)(NCCc1nc(-c2ccccc2)no1)c1cccc([N+](=O)[O-])c1 ZINC001560066248 1076221189 /nfs/dbraw/zinc/22/11/89/1076221189.db2.gz NLGPBIWYJUMMQA-LJQANCHMSA-N 0 3 368.393 2.685 20 5 FFBDHN CN(C(=O)c1ccc([N+](=O)[O-])cc1N)[C@H]1CCN(Cc2ccccc2)C1 ZINC001566364206 1076951208 /nfs/dbraw/zinc/95/12/08/1076951208.db2.gz IAQZXTFIVKSVRL-INIZCTEOSA-N 0 3 354.410 2.524 20 5 FFBDHN CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001588771250 1080188210 /nfs/dbraw/zinc/18/82/10/1080188210.db2.gz SYEYCPWNLLSRSJ-JYRVWZFOSA-N 0 3 350.382 2.968 20 5 FFBDHN CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001588771250 1080188215 /nfs/dbraw/zinc/18/82/15/1080188215.db2.gz SYEYCPWNLLSRSJ-JYRVWZFOSA-N 0 3 350.382 2.968 20 5 FFBDHN CC(C)(C)OC[C@@H]1CCC[N@@H+]1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589199159 1080413601 /nfs/dbraw/zinc/41/36/01/1080413601.db2.gz XNNKCTYSUVZHNX-LBPRGKRZSA-N 0 3 360.418 2.554 20 5 FFBDHN CC(C)(C)OC[C@@H]1CCC[N@H+]1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589199159 1080413604 /nfs/dbraw/zinc/41/36/04/1080413604.db2.gz XNNKCTYSUVZHNX-LBPRGKRZSA-N 0 3 360.418 2.554 20 5 FFBDHN CCCN1CCC[C@@H]1C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001589277044 1080460446 /nfs/dbraw/zinc/46/04/46/1080460446.db2.gz PTWIIPGFABPDRF-CYBMUJFWSA-N 0 3 370.247 2.848 20 5 FFBDHN C[C@@H](Cc1cccs1)[N@H+](C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589903151 1080852203 /nfs/dbraw/zinc/85/22/03/1080852203.db2.gz RVBQLPAAYQDZPV-NSHDSACASA-N 0 3 358.427 2.899 20 5 FFBDHN C[C@@H](Cc1cccs1)[N@@H+](C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589903151 1080852208 /nfs/dbraw/zinc/85/22/08/1080852208.db2.gz RVBQLPAAYQDZPV-NSHDSACASA-N 0 3 358.427 2.899 20 5 FFBDHN C[C@@H](Cc1cccs1)[N@H+](C)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589903151 1080852213 /nfs/dbraw/zinc/85/22/13/1080852213.db2.gz RVBQLPAAYQDZPV-NSHDSACASA-N 0 3 358.427 2.899 20 5 FFBDHN C[C@@H](Cc1cccs1)[N@@H+](C)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589903151 1080852218 /nfs/dbraw/zinc/85/22/18/1080852218.db2.gz RVBQLPAAYQDZPV-NSHDSACASA-N 0 3 358.427 2.899 20 5 FFBDHN CC1([NH+]2CCC2)CCC(Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001590141802 1081046210 /nfs/dbraw/zinc/04/62/10/1081046210.db2.gz NZRSTDNHGDUJJR-UHFFFAOYSA-N 0 3 357.418 2.594 20 5 FFBDHN CC1([NH+]2CCC2)CCC(Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001590141802 1081046215 /nfs/dbraw/zinc/04/62/15/1081046215.db2.gz NZRSTDNHGDUJJR-UHFFFAOYSA-N 0 3 357.418 2.594 20 5 FFBDHN CC1([NH+]2CCCC2)CCC(Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001590141747 1081046577 /nfs/dbraw/zinc/04/65/77/1081046577.db2.gz MRASZXCDHACOST-UHFFFAOYSA-N 0 3 371.445 2.984 20 5 FFBDHN CC1([NH+]2CCCC2)CCC(Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001590141747 1081046585 /nfs/dbraw/zinc/04/65/85/1081046585.db2.gz MRASZXCDHACOST-UHFFFAOYSA-N 0 3 371.445 2.984 20 5 FFBDHN C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001590189951 1081078876 /nfs/dbraw/zinc/07/88/76/1081078876.db2.gz YAGNRZJZGSDGTN-BETUJISGSA-N 0 3 359.434 2.555 20 5 FFBDHN C[C@@H]1C[C@H](C)C[N@H+](CCCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001590189951 1081078880 /nfs/dbraw/zinc/07/88/80/1081078880.db2.gz YAGNRZJZGSDGTN-BETUJISGSA-N 0 3 359.434 2.555 20 5 FFBDHN C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001590189951 1081078885 /nfs/dbraw/zinc/07/88/85/1081078885.db2.gz YAGNRZJZGSDGTN-BETUJISGSA-N 0 3 359.434 2.555 20 5 FFBDHN C[C@@H]1C[C@H](C)C[N@H+](CCCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001590189951 1081078891 /nfs/dbraw/zinc/07/88/91/1081078891.db2.gz YAGNRZJZGSDGTN-BETUJISGSA-N 0 3 359.434 2.555 20 5 FFBDHN CCOC(=O)[C@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000026218833 249341110 /nfs/dbraw/zinc/34/11/10/249341110.db2.gz OLMJRTMSNPKHKT-AWEZNQCLSA-N 0 3 363.414 2.507 20 5 FFBDHN CN1CCC(Nc2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000097334066 250064889 /nfs/dbraw/zinc/06/48/89/250064889.db2.gz MQACIRYUEUGTPM-UHFFFAOYSA-N 0 3 361.183 2.706 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000106891574 250296821 /nfs/dbraw/zinc/29/68/21/250296821.db2.gz DABJBDNIDGFLBM-GFCCVEGCSA-N 0 3 373.862 2.543 20 5 FFBDHN COc1cc(CN[C@H](C)[C@@H]2CCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000163002054 251164574 /nfs/dbraw/zinc/16/45/74/251164574.db2.gz VBCCNMTXCYCHQZ-GHMZBOCLSA-N 0 3 360.357 2.762 20 5 FFBDHN COc1cc(CNC[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OCC(F)F ZINC000272349037 252017806 /nfs/dbraw/zinc/01/78/06/252017806.db2.gz CWZYYSMEFVBTRP-SMDDNHRTSA-N 0 3 374.384 2.888 20 5 FFBDHN CN1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)[C@H]2C1 ZINC000272415049 252032261 /nfs/dbraw/zinc/03/22/61/252032261.db2.gz GAXDPHAGXPFEKE-HZMBPMFUSA-N 0 3 357.332 2.780 20 5 FFBDHN Cn1ccnc1[C@@H](NCCN1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272470379 252045173 /nfs/dbraw/zinc/04/51/73/252045173.db2.gz AFESKWRXVKNHHV-SFHVURJKSA-N 0 3 357.458 2.883 20 5 FFBDHN COc1cc(CNCCCn2ccnc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272503217 252054466 /nfs/dbraw/zinc/05/44/66/252054466.db2.gz VYVCAABGSQWINK-UHFFFAOYSA-N 0 3 370.356 2.624 20 5 FFBDHN COc1cc(CNCC(C)(C)N(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272523952 252059887 /nfs/dbraw/zinc/05/98/87/252059887.db2.gz YONYNKRPNMEWOC-UHFFFAOYSA-N 0 3 361.389 2.677 20 5 FFBDHN CC[C@@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000272586781 252073791 /nfs/dbraw/zinc/07/37/91/252073791.db2.gz ZFLQCZVOCBHKKR-WMZOPIPTSA-N 0 3 357.458 2.882 20 5 FFBDHN C[C@@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)CN1CCCCC1 ZINC000276209783 256081062 /nfs/dbraw/zinc/08/10/62/256081062.db2.gz KBDMYGYKRLEJKK-ZDUSSCGKSA-N 0 3 355.460 2.532 20 5 FFBDHN CN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000276484010 256103894 /nfs/dbraw/zinc/10/38/94/256103894.db2.gz GKJLWXVMANCVKM-INIZCTEOSA-N 0 3 354.410 2.524 20 5 FFBDHN CC1(C)C[C@@H](NCC2(CS(C)(=O)=O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000279154241 256387303 /nfs/dbraw/zinc/38/73/03/256387303.db2.gz SYUOHFBGBVAMGV-OAHLLOKOSA-N 0 3 352.456 2.732 20 5 FFBDHN COCc1nc2n(n1)C[C@H](N[C@@H]1CC(C)(C)c3ccc([N+](=O)[O-])cc31)CC2 ZINC000279171557 256389503 /nfs/dbraw/zinc/38/95/03/256389503.db2.gz UUQWUQQZTGTZEZ-MLGOLLRUSA-N 0 3 371.441 2.660 20 5 FFBDHN CN(CCN(C)C1CC1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279091002 256380361 /nfs/dbraw/zinc/38/03/61/256380361.db2.gz TVHDCXBDAGRJPU-UHFFFAOYSA-N 0 3 374.363 2.849 20 5 FFBDHN CCN(CC)CCN(CC(C)C)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000071990947 221394419 /nfs/dbraw/zinc/39/44/19/221394419.db2.gz JTPCONRDSGUEOS-UHFFFAOYSA-N 0 3 371.503 2.892 20 5 FFBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000288393272 257183961 /nfs/dbraw/zinc/18/39/61/257183961.db2.gz MLGRFZGVVLZLDI-OCCSQVGLSA-N 0 3 370.409 2.547 20 5 FFBDHN COc1cc(CN(C)[C@H](C)CO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000289379033 257277703 /nfs/dbraw/zinc/27/77/03/257277703.db2.gz CDAFRQKZCITAFZ-CQSZACIVSA-N 0 3 360.410 2.995 20 5 FFBDHN COc1cc(CNC[C@]2(CO)C[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000289785428 257299105 /nfs/dbraw/zinc/29/91/05/257299105.db2.gz JUWRLOVZRDFBOU-UZLBHIALSA-N 0 3 372.421 2.868 20 5 FFBDHN Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000290546215 257340395 /nfs/dbraw/zinc/34/03/95/257340395.db2.gz ORIGTMHQYFMPFY-BXUZGUMPSA-N 0 3 362.386 2.510 20 5 FFBDHN Cc1cc(N(C)CC(C)(C)S(C)(=O)=O)c2cc([N+](=O)[O-])ccc2n1 ZINC000302083312 258087379 /nfs/dbraw/zinc/08/73/79/258087379.db2.gz MLQQAQIFESIIKB-UHFFFAOYSA-N 0 3 351.428 2.711 20 5 FFBDHN COC(=O)c1cnc(N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000302754111 258109693 /nfs/dbraw/zinc/10/96/93/258109693.db2.gz IANAVANBXGVGQX-BBRMVZONSA-N 0 3 370.409 2.709 20 5 FFBDHN O=[N+]([O-])c1cnc2ccc(NC[C@H](c3ccccc3)N3CCCC3)nn21 ZINC000301871190 258072021 /nfs/dbraw/zinc/07/20/21/258072021.db2.gz CWKQDQRBFPQHDN-OAHLLOKOSA-N 0 3 352.398 2.887 20 5 FFBDHN CS(=O)(=O)c1cccc(NC2CCN(C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000301882823 258072525 /nfs/dbraw/zinc/07/25/25/258072525.db2.gz KTQWGPGQEXRCSR-UHFFFAOYSA-N 0 3 367.471 2.817 20 5 FFBDHN CCCc1[nH]nc(C(=O)N2CCN(CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000330665764 258167774 /nfs/dbraw/zinc/16/77/74/258167774.db2.gz AETVVFHLPKEPHC-UHFFFAOYSA-N 0 3 363.462 2.609 20 5 FFBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000332295279 258223797 /nfs/dbraw/zinc/22/37/97/258223797.db2.gz LYSFUHOOKXORCL-QWHCGFSZSA-N 0 3 369.368 2.753 20 5 FFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC1(N(C)C)CCC1 ZINC000332434124 258230278 /nfs/dbraw/zinc/23/02/78/258230278.db2.gz BSUKUDXLRLBLTB-UHFFFAOYSA-N 0 3 370.247 2.880 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCN1C ZINC000332608923 258237154 /nfs/dbraw/zinc/23/71/54/258237154.db2.gz BEIAPZKVXFXAJR-DGCLKSJQSA-N 0 3 360.439 2.931 20 5 FFBDHN C[C@@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCCC[C@@H]1C ZINC000032254695 506237761 /nfs/dbraw/zinc/23/77/61/506237761.db2.gz ONRVRCBUKKZGNW-GJZGRUSLSA-N 0 3 371.441 2.773 20 5 FFBDHN C[C@@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCCC[C@H]1C ZINC000032254693 506238655 /nfs/dbraw/zinc/23/86/55/506238655.db2.gz ONRVRCBUKKZGNW-CABCVRRESA-N 0 3 371.441 2.773 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](c2nccn2C)C1 ZINC000373100475 512171530 /nfs/dbraw/zinc/17/15/30/512171530.db2.gz RYONZTFONJYHKN-OAHLLOKOSA-N 0 3 371.441 2.845 20 5 FFBDHN CNc1ccc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc1[N+](=O)[O-] ZINC000053992024 506472167 /nfs/dbraw/zinc/47/21/67/506472167.db2.gz WAEHLAYSHUQWJZ-UHFFFAOYSA-N 0 3 372.425 2.507 20 5 FFBDHN COCCN(C)CCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000041423107 506516314 /nfs/dbraw/zinc/51/63/14/506516314.db2.gz KLLKDYNJHCWRDM-UHFFFAOYSA-N 0 3 351.428 2.508 20 5 FFBDHN CN(C)[C@@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000041799170 506552545 /nfs/dbraw/zinc/55/25/45/506552545.db2.gz UGMGCCFYYAFTMZ-QGZVFWFLSA-N 0 3 370.453 2.686 20 5 FFBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000055401648 506742962 /nfs/dbraw/zinc/74/29/62/506742962.db2.gz JTCSABFOQZVDNW-UONOGXRCSA-N 0 3 351.472 2.924 20 5 FFBDHN CN(C)[C@@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000045802191 507023449 /nfs/dbraw/zinc/02/34/49/507023449.db2.gz ZFNYYEDYEICRHD-KRWDZBQOSA-N 0 3 369.487 2.921 20 5 FFBDHN CN(C)CCN(Cc1ccccc1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000068310898 507182355 /nfs/dbraw/zinc/18/23/55/507182355.db2.gz PUVCMYHCYOREOS-UHFFFAOYSA-N 0 3 371.437 2.954 20 5 FFBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCCN(C(C)C)CC2)cc1OC ZINC000068782619 507321355 /nfs/dbraw/zinc/32/13/55/507321355.db2.gz CCIBRTHXFGDRHV-UHFFFAOYSA-N 0 3 365.430 2.558 20 5 FFBDHN CC(C)N1CCN([C@@H]2CCN(C/C=C/c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000371335375 512338203 /nfs/dbraw/zinc/33/82/03/512338203.db2.gz JVUMXUPXUYEJOG-WSSFADSRSA-N 0 3 358.486 2.708 20 5 FFBDHN C[C@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])CN1CCCCC1 ZINC000089619853 507850819 /nfs/dbraw/zinc/85/08/19/507850819.db2.gz VURWYEBTLSNWEX-CYBMUJFWSA-N 0 3 355.460 2.532 20 5 FFBDHN COc1cc(NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000089644763 507853267 /nfs/dbraw/zinc/85/32/67/507853267.db2.gz XBUAPUCIIBYBSQ-IAGOWNOFSA-N 0 3 357.410 2.651 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(CC3CC3)C2)cc1SC ZINC000108305805 507885925 /nfs/dbraw/zinc/88/59/25/507885925.db2.gz NPVDBJPOUVGOTL-LBPRGKRZSA-N 0 3 365.455 2.539 20 5 FFBDHN C[C@H](NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000090914344 507939032 /nfs/dbraw/zinc/93/90/32/507939032.db2.gz PKRRSCKNVQNFPO-YSSFQJQWSA-N 0 3 355.438 2.881 20 5 FFBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](c1cccc(F)c1)N(C)C ZINC000109317273 507954657 /nfs/dbraw/zinc/95/46/57/507954657.db2.gz BBIOBLOUEGCNLI-KRWDZBQOSA-N 0 3 360.389 2.808 20 5 FFBDHN CCCCN1CCCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000110264326 508016817 /nfs/dbraw/zinc/01/68/17/508016817.db2.gz RTDSUUKWUZJMAZ-INIZCTEOSA-N 0 3 369.487 2.836 20 5 FFBDHN CN(C)CCN(Cc1ccccc1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000074764041 508053308 /nfs/dbraw/zinc/05/33/08/508053308.db2.gz NQJDJEUERVVANF-UHFFFAOYSA-N 0 3 370.453 2.911 20 5 FFBDHN C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)N(C)Cc1ccccc1 ZINC000110966081 508061384 /nfs/dbraw/zinc/06/13/84/508061384.db2.gz OGUHNGQPNYKDSS-LBPRGKRZSA-N 0 3 360.389 2.566 20 5 FFBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000075630669 508122961 /nfs/dbraw/zinc/12/29/61/508122961.db2.gz NOJIAVCPTITXBN-SFHVURJKSA-N 0 3 371.441 2.525 20 5 FFBDHN CCCCN(Cc1ccccc1F)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075674750 508127002 /nfs/dbraw/zinc/12/70/02/508127002.db2.gz XJVXNWDWHVTEAQ-INIZCTEOSA-N 0 3 350.394 2.594 20 5 FFBDHN CC(C)OCCN1CCC(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000081995982 508224362 /nfs/dbraw/zinc/22/43/62/508224362.db2.gz DXPHLJLVRCPQBG-UHFFFAOYSA-N 0 3 369.849 2.867 20 5 FFBDHN O=[N+]([O-])c1ccccc1OCCN1CCC(OC[C@@H]2CCCO2)CC1 ZINC000083414281 508245399 /nfs/dbraw/zinc/24/53/99/508245399.db2.gz GGANQNSPJOEABH-INIZCTEOSA-N 0 3 350.415 2.634 20 5 FFBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C2CCC(C)CC2)CC1 ZINC000115520755 508405094 /nfs/dbraw/zinc/40/50/94/508405094.db2.gz AEYUVCPTELKDAP-UHFFFAOYSA-N 0 3 360.458 2.655 20 5 FFBDHN CCCN(CCN(CC)CC)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000127158076 508407420 /nfs/dbraw/zinc/40/74/20/508407420.db2.gz BNMBXDMZJXPGAN-UHFFFAOYSA-N 0 3 363.505 2.707 20 5 FFBDHN CC(C)CN1CCCC[C@@H]1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000156388160 508412632 /nfs/dbraw/zinc/41/26/32/508412632.db2.gz BFMKIDBNXZOSRQ-QGZVFWFLSA-N 0 3 369.487 2.525 20 5 FFBDHN C[C@@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000156477400 508426305 /nfs/dbraw/zinc/42/63/05/508426305.db2.gz OQFHSYQTYHQBBW-PBHICJAKSA-N 0 3 357.414 2.703 20 5 FFBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000133774689 508447017 /nfs/dbraw/zinc/44/70/17/508447017.db2.gz RKNZWISIAGOVIL-ZDUSSCGKSA-N 0 3 370.837 2.823 20 5 FFBDHN Cc1c(NC(=O)CCN2CCc3ccccc3[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000133846143 508458066 /nfs/dbraw/zinc/45/80/66/508458066.db2.gz NLXNNHQJMYFSJJ-IBGZPJMESA-N 0 3 369.421 2.824 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N(CCN(C)C)C(C)C)cc1SC ZINC000156763862 508473680 /nfs/dbraw/zinc/47/36/80/508473680.db2.gz HNJCYKHVVAULRY-UHFFFAOYSA-N 0 3 355.460 2.738 20 5 FFBDHN CN(C)C[C@H]1CCCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000119193046 508745708 /nfs/dbraw/zinc/74/57/08/508745708.db2.gz NOWLOSKVJCJTPG-CYBMUJFWSA-N 0 3 370.247 2.914 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CN1C1CC1 ZINC000123897850 508754700 /nfs/dbraw/zinc/75/47/00/508754700.db2.gz WUGIBFBYAQTXEI-BXKDBHETSA-N 0 3 368.231 2.712 20 5 FFBDHN CN(C)CCn1ccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000137539685 508759615 /nfs/dbraw/zinc/75/96/15/508759615.db2.gz IKUCMBLBVNOETL-UHFFFAOYSA-N 0 3 372.429 2.549 20 5 FFBDHN C[C@@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)N1CCC[C@@H](C)C1 ZINC000124119190 508785422 /nfs/dbraw/zinc/78/54/22/508785422.db2.gz CKCFWNCEUNXKAI-CABCVRRESA-N 0 3 360.458 2.783 20 5 FFBDHN C[C@H]1C[C@@H](N(C)C(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCN1C ZINC000124188579 508794693 /nfs/dbraw/zinc/79/46/93/508794693.db2.gz HEOHYKIAKFFWAO-JQWIXIFHSA-N 0 3 370.247 2.912 20 5 FFBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CCCn1ccnc1 ZINC000124382915 508823826 /nfs/dbraw/zinc/82/38/26/508823826.db2.gz TVZPMYLCKUCDQK-GFCCVEGCSA-N 0 3 365.821 2.794 20 5 FFBDHN COc1ccc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000119619828 508830501 /nfs/dbraw/zinc/83/05/01/508830501.db2.gz SXODRSZEHVVRLM-PBHICJAKSA-N 0 3 369.421 2.854 20 5 FFBDHN CN(C)CCn1c2cc(NCc3ccccc3[N+](=O)[O-])ccc2oc1=O ZINC000124616328 508859330 /nfs/dbraw/zinc/85/93/30/508859330.db2.gz JMWMIMRBNBNLBC-UHFFFAOYSA-N 0 3 356.382 2.676 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](OCC(C)C)C1 ZINC000120054128 508918016 /nfs/dbraw/zinc/91/80/16/508918016.db2.gz AHOOFBDXDJXUKM-HNNXBMFYSA-N 0 3 365.430 2.679 20 5 FFBDHN CN(C)c1ccc([N+](=O)[O-])c(OC[C@@H](O)CN(C)Cc2ccccc2)c1 ZINC000155536315 509021570 /nfs/dbraw/zinc/02/15/70/509021570.db2.gz YXWBKGMHMVBVIS-KRWDZBQOSA-N 0 3 359.426 2.533 20 5 FFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000120918982 509089243 /nfs/dbraw/zinc/08/92/43/509089243.db2.gz HBMUIVKYJVSING-HIFRSBDPSA-N 0 3 369.487 2.562 20 5 FFBDHN O=C(NC[C@H]1CCN(C2CC2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000126672728 509111237 /nfs/dbraw/zinc/11/12/37/509111237.db2.gz JMAQVGOSVLKZEB-GFCCVEGCSA-N 0 3 372.450 2.932 20 5 FFBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000121063589 509120732 /nfs/dbraw/zinc/12/07/32/509120732.db2.gz HLKBCJFEBOYTGU-HZMBPMFUSA-N 0 3 370.247 2.770 20 5 FFBDHN O=C(CCN1CCC(O)(c2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000185518272 509218104 /nfs/dbraw/zinc/21/81/04/509218104.db2.gz SMOLKDCGRQGJIY-UHFFFAOYSA-N 0 3 369.421 2.907 20 5 FFBDHN C[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000182404307 509221147 /nfs/dbraw/zinc/22/11/47/509221147.db2.gz IAWHHPPPVDGFGJ-IUODEOHRSA-N 0 3 361.354 2.594 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000162512034 509240366 /nfs/dbraw/zinc/24/03/66/509240366.db2.gz PSPGYMGDXUOPCU-UHFFFAOYSA-N 0 3 364.446 2.914 20 5 FFBDHN CN1CC[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000179111162 509269637 /nfs/dbraw/zinc/26/96/37/509269637.db2.gz GEVKTJXBAXACDR-AEFFLSMTSA-N 0 3 354.410 2.839 20 5 FFBDHN COc1ccc([C@@H]2CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000248444401 509324137 /nfs/dbraw/zinc/32/41/37/509324137.db2.gz FXGFONYBAOFZBN-IAGOWNOFSA-N 0 3 372.421 2.833 20 5 FFBDHN C[C@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])N(C)C1CC1 ZINC000182620523 509336302 /nfs/dbraw/zinc/33/63/02/509336302.db2.gz XTLCNVATAJGISJ-SNVBAGLBSA-N 0 3 357.863 2.939 20 5 FFBDHN COc1cccc(CN(CCN(C)C)C(=O)Nc2ccncc2[N+](=O)[O-])c1 ZINC000192386321 509497477 /nfs/dbraw/zinc/49/74/77/509497477.db2.gz IXJOKVLRPYNVLZ-UHFFFAOYSA-N 0 3 373.413 2.594 20 5 FFBDHN CCN(CC)CCC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000189561892 509638064 /nfs/dbraw/zinc/63/80/64/509638064.db2.gz HAUYYAAUTNPNIG-CYBMUJFWSA-N 0 3 357.476 2.921 20 5 FFBDHN CCOC[C@@H](N[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000189799285 509757872 /nfs/dbraw/zinc/75/78/72/509757872.db2.gz NOBWNJWVSRMKNM-SWLSCSKDSA-N 0 3 353.419 2.581 20 5 FFBDHN CC(C)CN1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000170874306 509825146 /nfs/dbraw/zinc/82/51/46/509825146.db2.gz YFHQKMVEMVVFNZ-UHFFFAOYSA-N 0 3 357.458 2.769 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000268231961 509827355 /nfs/dbraw/zinc/82/73/55/509827355.db2.gz SIUUPBGPXHSAJX-RNCFNFMXSA-N 0 3 368.231 2.570 20 5 FFBDHN CC(C)[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1F ZINC000180267163 509840658 /nfs/dbraw/zinc/84/06/58/509840658.db2.gz KTDNHMZEHXPZND-BBRMVZONSA-N 0 3 370.812 2.932 20 5 FFBDHN COc1ccccc1COC[C@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180443945 509927941 /nfs/dbraw/zinc/92/79/41/509927941.db2.gz BYEORHPZPONILD-KBXCAEBGSA-N 0 3 360.410 2.832 20 5 FFBDHN CCC(CC)(CC(=O)OC)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000268446905 509936401 /nfs/dbraw/zinc/93/64/01/509936401.db2.gz HLXYPUJXEPUBAA-UHFFFAOYSA-N 0 3 351.403 2.553 20 5 FFBDHN C[C@H](CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)N1CCN(C)CC1 ZINC000180465130 509938582 /nfs/dbraw/zinc/93/85/82/509938582.db2.gz HCRZXFQSOQIXQZ-DYESRHJHSA-N 0 3 368.481 2.910 20 5 FFBDHN Cc1ccnc(NCc2ccc(CN3CCC(O)CC3)cc2)c1[N+](=O)[O-] ZINC000265255056 509949318 /nfs/dbraw/zinc/94/93/18/509949318.db2.gz RNYHEHWFKRLVES-UHFFFAOYSA-N 0 3 356.426 2.867 20 5 FFBDHN CCN1CCCC[C@H]1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177279605 509975768 /nfs/dbraw/zinc/97/57/68/509975768.db2.gz IAEYUEQUJBXOGC-LBPRGKRZSA-N 0 3 370.247 2.962 20 5 FFBDHN Cc1nc(NCc2ccccc2CN2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000268508943 509977152 /nfs/dbraw/zinc/97/71/52/509977152.db2.gz RSANJIUKTPXDIN-UHFFFAOYSA-N 0 3 356.426 2.867 20 5 FFBDHN CNC(=O)c1ccc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000174247106 510023481 /nfs/dbraw/zinc/02/34/81/510023481.db2.gz OZTLUQINBZWHJG-UHFFFAOYSA-N 0 3 369.421 2.998 20 5 FFBDHN C[C@H](CN(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000184013118 510087467 /nfs/dbraw/zinc/08/74/67/510087467.db2.gz SMGDPOUMUPCBHZ-OCCSQVGLSA-N 0 3 351.428 2.527 20 5 FFBDHN C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000187180616 510107596 /nfs/dbraw/zinc/10/75/96/510107596.db2.gz XBKRSVBZSKIGMB-IFXJQAMLSA-N 0 3 357.410 2.781 20 5 FFBDHN Cc1nn(CCC(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)c(C)c1[N+](=O)[O-] ZINC000187215941 510127830 /nfs/dbraw/zinc/12/78/30/510127830.db2.gz CFRFYXWNCRAMQM-BFUOFWGJSA-N 0 3 373.457 2.606 20 5 FFBDHN CC(=O)c1ccc(NC2CCN([C@@H]3CCCC[C@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000268930699 510143322 /nfs/dbraw/zinc/14/33/22/510143322.db2.gz BZZHHRWJOJQUBZ-IEBWSBKVSA-N 0 3 361.442 2.977 20 5 FFBDHN COC(=O)c1ccccc1CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000187262245 510156890 /nfs/dbraw/zinc/15/68/90/510156890.db2.gz QQQHGDKVLJWNOU-OAHLLOKOSA-N 0 3 370.409 2.505 20 5 FFBDHN CN1CC[C@H]2[C@@H](CCCN2c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000269091040 510230625 /nfs/dbraw/zinc/23/06/25/510230625.db2.gz LAHYQIPGLPIXIU-GWCFXTLKSA-N 0 3 355.236 2.673 20 5 FFBDHN CCN1CCN(c2cccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000184273421 510232184 /nfs/dbraw/zinc/23/21/84/510232184.db2.gz JVOXXFHZWACALP-UHFFFAOYSA-N 0 3 368.437 2.918 20 5 FFBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000177782137 510251053 /nfs/dbraw/zinc/25/10/53/510251053.db2.gz RDCYWXGJJXQTDD-SJORKVTESA-N 0 3 372.469 2.894 20 5 FFBDHN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[C@@H](N(C)C)C3)cc2[N+](=O)[O-])C1 ZINC000246042480 510260765 /nfs/dbraw/zinc/26/07/65/510260765.db2.gz YKJFPKGKXKMEMA-HLLBOEOZSA-N 0 3 374.485 2.853 20 5 FFBDHN CC(C)N1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000269274492 510319595 /nfs/dbraw/zinc/31/95/95/510319595.db2.gz NERJNLAGSRWFNI-UHFFFAOYSA-N 0 3 370.247 2.914 20 5 FFBDHN CN1CC[C@@H](CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000194351419 510324208 /nfs/dbraw/zinc/32/42/08/510324208.db2.gz ULYRXURHXAHXKK-INIZCTEOSA-N 0 3 369.421 2.855 20 5 FFBDHN O=[N+]([O-])c1cnn(CCN2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c1 ZINC000174855123 510346600 /nfs/dbraw/zinc/34/66/00/510346600.db2.gz IWFDTKMGYBUFKP-QGZVFWFLSA-N 0 3 364.833 2.890 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269365560 510364984 /nfs/dbraw/zinc/36/49/84/510364984.db2.gz VKFZTWSXKWUKKC-FZKQIMNGSA-N 0 3 358.442 2.752 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000174953660 510404113 /nfs/dbraw/zinc/40/41/13/510404113.db2.gz YOTIBZCYEWAWFF-KRWDZBQOSA-N 0 3 368.437 2.892 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H](c2ccccc2F)C2CCCC2)c1 ZINC000181500866 510440631 /nfs/dbraw/zinc/44/06/31/510440631.db2.gz SLALWZUOZXOZQK-CRAIPNDOSA-N 0 3 362.405 2.812 20 5 FFBDHN CN(C)C1(CN(C)C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000188020262 510552405 /nfs/dbraw/zinc/55/24/05/510552405.db2.gz ITMMXVRBGBVFNK-UHFFFAOYSA-N 0 3 369.849 2.960 20 5 FFBDHN Cc1ccc([C@H](C)NCCn2cnc3ccccc3c2=O)cc1[N+](=O)[O-] ZINC000181815503 510607901 /nfs/dbraw/zinc/60/79/01/510607901.db2.gz KHHJJOXRSXXDOC-AWEZNQCLSA-N 0 3 352.394 2.964 20 5 FFBDHN CN(Cc1ccccc1[N+](=O)[O-])C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000188297419 510696656 /nfs/dbraw/zinc/69/66/56/510696656.db2.gz JIRSTRYJKCQDMI-FQEVSTJZSA-N 0 3 355.438 2.664 20 5 FFBDHN C[C@@H](NCCOc1ccccc1[N+](=O)[O-])c1ccc(-n2ccnn2)cc1 ZINC000182040160 510725683 /nfs/dbraw/zinc/72/56/83/510725683.db2.gz DRNCNGCWECUCNS-CQSZACIVSA-N 0 3 353.382 2.905 20 5 FFBDHN C[C@@H](CN1CCCCCC1)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000185435670 510844573 /nfs/dbraw/zinc/84/45/73/510844573.db2.gz COPVJRIGKPMULL-HNNXBMFYSA-N 0 3 371.441 2.775 20 5 FFBDHN O=C(NCCc1ccc(OCCN2CCCC2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000182294361 510845874 /nfs/dbraw/zinc/84/58/74/510845874.db2.gz KLZURCYYVZBRPF-UHFFFAOYSA-N 0 3 373.409 2.635 20 5 FFBDHN Cc1c(NC(=O)CCN2CCC[C@@H](c3ccncn3)C2)cccc1[N+](=O)[O-] ZINC000361652380 511074963 /nfs/dbraw/zinc/07/49/63/511074963.db2.gz LRHVKCNGMVBKEC-OAHLLOKOSA-N 0 3 369.425 2.901 20 5 FFBDHN COc1cc(C(=O)NC[C@H](c2ccccc2)N(C)C)c([N+](=O)[O-])cc1F ZINC000294504084 511086954 /nfs/dbraw/zinc/08/69/54/511086954.db2.gz XGRNUEHKYNARIL-MRXNPFEDSA-N 0 3 361.373 2.775 20 5 FFBDHN CCN(Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000362852292 511252130 /nfs/dbraw/zinc/25/21/30/511252130.db2.gz PTQMKMVZWUNDKC-RDJZCZTQSA-N 0 3 357.458 2.986 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000295237874 511332682 /nfs/dbraw/zinc/33/26/82/511332682.db2.gz ZXCGTEABBPGYAX-ZANVPECISA-N 0 3 357.332 2.826 20 5 FFBDHN CN1CC=C(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000271883014 511358761 /nfs/dbraw/zinc/35/87/61/511358761.db2.gz CKPAUHFMQSJRMO-UHFFFAOYSA-N 0 3 361.445 2.533 20 5 FFBDHN CN1CCC(CC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000291935412 511397830 /nfs/dbraw/zinc/39/78/30/511397830.db2.gz MXSMNWJTOLJWPL-UHFFFAOYSA-N 0 3 361.442 2.697 20 5 FFBDHN C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCN(C2CC2)C1 ZINC000295510356 511430098 /nfs/dbraw/zinc/43/00/98/511430098.db2.gz HMOHSEWKQWIZRT-LBPRGKRZSA-N 0 3 351.834 2.733 20 5 FFBDHN COC(=O)c1cc(C)nc(N2CCC[C@@H]2CN2CCCCC2)c1[N+](=O)[O-] ZINC000283888119 511534466 /nfs/dbraw/zinc/53/44/66/511534466.db2.gz VMUNHTOSXNCKCK-CQSZACIVSA-N 0 3 362.430 2.540 20 5 FFBDHN CN(C(=O)CN[C@H]1CCN(C)[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000283966062 511558619 /nfs/dbraw/zinc/55/86/19/511558619.db2.gz IFTFVDWIANBLIS-ICSRJNTNSA-N 0 3 368.437 2.593 20 5 FFBDHN O=C(c1ccc([N+](=O)[O-])cn1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000365738129 511629421 /nfs/dbraw/zinc/62/94/21/511629421.db2.gz GSIQZPFMMMFERD-DLBZAZTESA-N 0 3 366.421 2.584 20 5 FFBDHN Cc1ccc([C@H](C)NC(=O)Nc2ccnn2CCN(C)C)cc1[N+](=O)[O-] ZINC000296710917 511866075 /nfs/dbraw/zinc/86/60/75/511866075.db2.gz ATIRYSHAQFVIBC-ZDUSSCGKSA-N 0 3 360.418 2.544 20 5 FFBDHN CN(C)[C@@]1(CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CCSC1 ZINC000293581203 512016492 /nfs/dbraw/zinc/01/64/92/512016492.db2.gz WYCLJPMYFGHDOS-QGZVFWFLSA-N 0 3 366.487 2.566 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(CC(=O)Nc2ccc(CN(C)C)cc2)c1F ZINC000411280715 512559345 /nfs/dbraw/zinc/55/93/45/512559345.db2.gz FXFSZUOWXMMPNK-UHFFFAOYSA-N 0 3 361.373 2.985 20 5 FFBDHN C[C@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000367927322 512726540 /nfs/dbraw/zinc/72/65/40/512726540.db2.gz PRDDMGXSZZHIPW-DZGCQCFKSA-N 0 3 352.866 2.710 20 5 FFBDHN Cc1ccc(C2CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000370079357 512756552 /nfs/dbraw/zinc/75/65/52/512756552.db2.gz BVSJKUIMSHEVNA-LJQANCHMSA-N 0 3 371.437 2.918 20 5 FFBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)CC[C@@H]1N1CCN(C)CC1 ZINC000374314695 512760969 /nfs/dbraw/zinc/76/09/69/512760969.db2.gz XBTLZZLCGCUUEN-QAPCUYQASA-N 0 3 369.469 2.605 20 5 FFBDHN Nc1c(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000379688638 512871726 /nfs/dbraw/zinc/87/17/26/512871726.db2.gz ZLCOWPNXOOLBAG-MRXNPFEDSA-N 0 3 368.437 2.962 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000446223665 513212128 /nfs/dbraw/zinc/21/21/28/513212128.db2.gz AFYWAMWAUSNYDS-CHWSQXEVSA-N 0 3 357.863 2.674 20 5 FFBDHN Cc1c(NC(=O)[C@H](C)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000429041007 513266762 /nfs/dbraw/zinc/26/67/62/513266762.db2.gz NTDWPAFPWWLPCP-IWKLRQMXSA-N 0 3 374.485 2.892 20 5 FFBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418085802 513367009 /nfs/dbraw/zinc/36/70/09/513367009.db2.gz AXVBDGYVTBWFCZ-VHSXEESVSA-N 0 3 360.336 2.505 20 5 FFBDHN COc1cc(CNCC[C@@H]2COc3ccccc3O2)c([N+](=O)[O-])cc1OC ZINC000418105618 513373855 /nfs/dbraw/zinc/37/38/55/513373855.db2.gz YEYLHYFBSSUGJS-CQSZACIVSA-N 0 3 374.393 2.932 20 5 FFBDHN CC(C)(CO)[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000429712570 513448657 /nfs/dbraw/zinc/44/86/57/513448657.db2.gz BZUICODRSDAQQM-MJGOQNOKSA-N 0 3 374.437 2.684 20 5 FFBDHN CN(C(=O)CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000447587027 513516153 /nfs/dbraw/zinc/51/61/53/513516153.db2.gz OEZGNTNSYBAUER-HZPDHXFCSA-N 0 3 363.462 2.656 20 5 FFBDHN C[C@@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)CC[C@H]1N1CCN(C)CC1 ZINC000413214013 513525455 /nfs/dbraw/zinc/52/54/55/513525455.db2.gz KSVBLHLCOYSMIT-DNVCBOLYSA-N 0 3 369.469 2.605 20 5 FFBDHN C[C@H](CN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)N1CCc2ccccc2C1 ZINC000447666380 513534824 /nfs/dbraw/zinc/53/48/24/513534824.db2.gz ASSZYQKAGXKSLO-CYBMUJFWSA-N 0 3 351.410 2.752 20 5 FFBDHN Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)n(C2CCN(C)CC2)n1 ZINC000430440434 513654292 /nfs/dbraw/zinc/65/42/92/513654292.db2.gz SPLDOOYOSPNPIV-UHFFFAOYSA-N 0 3 357.414 2.548 20 5 FFBDHN COc1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCCN(C)C ZINC000416339148 513720124 /nfs/dbraw/zinc/72/01/24/513720124.db2.gz GJEWAGIZZVEGMM-UHFFFAOYSA-N 0 3 373.409 2.725 20 5 FFBDHN CNC(=O)[C@]1(C)CCN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000430765503 513742596 /nfs/dbraw/zinc/74/25/96/513742596.db2.gz RPTQJMMEOGLGBE-LJQANCHMSA-N 0 3 373.409 2.821 20 5 FFBDHN Cc1cc(S(=O)(=O)N(C)CC[C@H]2CCCCN2C)c(C)cc1[N+](=O)[O-] ZINC000416405061 513753460 /nfs/dbraw/zinc/75/34/60/513753460.db2.gz AZYRDPYYICJJCY-OAHLLOKOSA-N 0 3 369.487 2.707 20 5 FFBDHN O=[N+]([O-])c1ccc([C@H]2CCCN(C[C@H](O)COCc3ccco3)C2)cc1 ZINC000451543139 513821189 /nfs/dbraw/zinc/82/11/89/513821189.db2.gz AZHMUNSRNNWGQS-WMZOPIPTSA-N 0 3 360.410 2.945 20 5 FFBDHN CC1CCN(C[C@@H](O)CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000436386254 513842867 /nfs/dbraw/zinc/84/28/67/513842867.db2.gz JSUGJFJYARLEEQ-NSHDSACASA-N 0 3 362.352 2.513 20 5 FFBDHN COC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451589456 513851576 /nfs/dbraw/zinc/85/15/76/513851576.db2.gz VGEBKNZGIUXGCC-NEPJUHHUSA-N 0 3 369.805 2.508 20 5 FFBDHN CC(C)[C@H](CO)[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000451599242 513858443 /nfs/dbraw/zinc/85/84/43/513858443.db2.gz PVDHJPVVKQGUAG-JQFCIGGWSA-N 0 3 351.447 2.801 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](C(C)C)[C@@H](CO)C(C)C ZINC000451605388 513862606 /nfs/dbraw/zinc/86/26/06/513862606.db2.gz ZTTDCNRIFGSZBR-YOEHRIQHSA-N 0 3 351.447 2.720 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCN1C ZINC000431493216 513911271 /nfs/dbraw/zinc/91/12/71/513911271.db2.gz AYTZPEXLFDBALX-BXKDBHETSA-N 0 3 356.220 2.570 20 5 FFBDHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Br)s1 ZINC000443322918 513936034 /nfs/dbraw/zinc/93/60/34/513936034.db2.gz AGUJDVXTBBDODB-SECBINFHSA-N 0 3 372.244 2.931 20 5 FFBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)CCN(C)C ZINC000420020415 513998670 /nfs/dbraw/zinc/99/86/70/513998670.db2.gz SEYMMULHEDHVEA-QGZVFWFLSA-N 0 3 369.487 2.528 20 5 FFBDHN O=[N+]([O-])c1ccc(CNC[C@H](CO)Cc2cc(F)c(F)c(F)c2)cc1 ZINC000443998791 514095543 /nfs/dbraw/zinc/09/55/43/514095543.db2.gz WPDBCBDMVISEJH-CYBMUJFWSA-N 0 3 354.328 2.953 20 5 FFBDHN CCOc1ccc(NC(=O)CN[C@@H]2CCCC[C@H]2OCC)c([N+](=O)[O-])c1 ZINC000452036225 514150079 /nfs/dbraw/zinc/15/00/79/514150079.db2.gz PRHOKLUXUMTBOI-NVXWUHKLSA-N 0 3 365.430 2.869 20 5 FFBDHN O=C(NC[C@H]1CCCN1CCCO)c1cc2ccccc2c2cccnc12 ZINC000452343042 514293513 /nfs/dbraw/zinc/29/35/13/514293513.db2.gz ANGWZCRUPJGFFJ-QGZVFWFLSA-N 0 3 363.461 2.965 20 5 FFBDHN COC(=O)c1cc(NCCCN2CCCO[C@@H](C)C2)cc(C)c1[N+](=O)[O-] ZINC000432850910 514301122 /nfs/dbraw/zinc/30/11/22/514301122.db2.gz IGZATRAPCFSQNO-AWEZNQCLSA-N 0 3 365.430 2.603 20 5 FFBDHN COc1cc(CN[C@@H]2CC[C@H]2O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000424204571 514415151 /nfs/dbraw/zinc/41/51/51/514415151.db2.gz TVIDBLVUSYBIOC-IAGOWNOFSA-N 0 3 358.394 2.795 20 5 FFBDHN COc1ccc(CN[C@@H]2CC[C@H]2O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000424205806 514415745 /nfs/dbraw/zinc/41/57/45/514415745.db2.gz VHZQBUIBGBHQOO-IAGOWNOFSA-N 0 3 358.394 2.795 20 5 FFBDHN O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000461115394 514518999 /nfs/dbraw/zinc/51/89/99/514518999.db2.gz XDNCNQUNYSJNDX-QGZVFWFLSA-N 0 3 356.382 2.805 20 5 FFBDHN Cc1cc([C@H](C)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000453079968 514538802 /nfs/dbraw/zinc/53/88/02/514538802.db2.gz HJBVTNAEQKBIKI-LBPRGKRZSA-N 0 3 369.468 2.594 20 5 FFBDHN C[C@@H](c1ccccc1)[C@@H](O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000450260841 514570093 /nfs/dbraw/zinc/57/00/93/514570093.db2.gz LFTBNINCKMNUOX-JXFKEZNVSA-N 0 3 355.438 2.881 20 5 FFBDHN COC(=O)Cc1ccc(NCCN(C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000450273528 514575202 /nfs/dbraw/zinc/57/52/02/514575202.db2.gz HBEQGGHFGUAIFN-UHFFFAOYSA-N 0 3 357.410 2.854 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000466557841 514690186 /nfs/dbraw/zinc/69/01/86/514690186.db2.gz YOPRYVOXVJZJPB-KDOFPFPSSA-N 0 3 360.458 2.699 20 5 FFBDHN O=C(CN[C@@H]1CCCC[C@H]1OC(F)F)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000502564255 514695667 /nfs/dbraw/zinc/69/56/67/514695667.db2.gz DFOGDCACTDYGEA-UKRRQHHQSA-N 0 3 369.368 2.624 20 5 FFBDHN COc1cc(CN[C@@H](CO)Cc2ccc(C)c(C)c2)c([N+](=O)[O-])cc1OC ZINC000453627749 514737193 /nfs/dbraw/zinc/73/71/93/514737193.db2.gz MSHRFHYRSCLHSX-QGZVFWFLSA-N 0 3 374.437 2.922 20 5 FFBDHN C[C@@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCCC[C@@H]1C ZINC000479858256 514746685 /nfs/dbraw/zinc/74/66/85/514746685.db2.gz AUXVGQIPCCVPKS-GJZGRUSLSA-N 0 3 371.441 2.773 20 5 FFBDHN CCCCN1CCCC[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000502711811 514748944 /nfs/dbraw/zinc/74/89/44/514748944.db2.gz MIJZIHRUXOYSDH-HNNXBMFYSA-N 0 3 369.487 2.836 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1cccc(C)n1 ZINC000471204476 514796179 /nfs/dbraw/zinc/79/61/79/514796179.db2.gz PVSGXOOKHATLFU-UHFFFAOYSA-N 0 3 358.398 2.767 20 5 FFBDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccc([N+](=O)[O-])n3C)c2)CC1 ZINC000502889668 514830763 /nfs/dbraw/zinc/83/07/63/514830763.db2.gz FFJUVCUERKWWAS-UHFFFAOYSA-N 0 3 371.441 2.716 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000467047271 514876935 /nfs/dbraw/zinc/87/69/35/514876935.db2.gz RKLRRIRYOIAUQV-NHYWBVRUSA-N 0 3 372.450 2.931 20 5 FFBDHN CN(C)C[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000498386676 514892671 /nfs/dbraw/zinc/89/26/71/514892671.db2.gz BCRYZTBSASPHNA-KRWDZBQOSA-N 0 3 374.416 2.879 20 5 FFBDHN C[C@@H]1CN(CC2CCN(c3ccc([N+](=O)[O-])c(N)c3F)CC2)C[C@H](C)O1 ZINC000476095114 514913258 /nfs/dbraw/zinc/91/32/58/514913258.db2.gz JWTHNKSJKXOCEH-BETUJISGSA-N 0 3 366.437 2.642 20 5 FFBDHN CCCN(CCN1CCCCCC1)C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000456042932 514918413 /nfs/dbraw/zinc/91/84/13/514918413.db2.gz JRMCNXUXYYZOPM-UHFFFAOYSA-N 0 3 363.462 2.760 20 5 FFBDHN CCCN1CC[C@H](CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000480419970 514951116 /nfs/dbraw/zinc/95/11/16/514951116.db2.gz NEOGYFYPIYRDDW-CQSZACIVSA-N 0 3 371.441 2.703 20 5 FFBDHN COc1cc(CN[C@@H]2CC[C@@H](OC)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000471796199 515013200 /nfs/dbraw/zinc/01/32/00/515013200.db2.gz CQGWVTAACZNJER-VXGBXAGGSA-N 0 3 360.357 2.904 20 5 FFBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000489946953 515043209 /nfs/dbraw/zinc/04/32/09/515043209.db2.gz RGJWHKVRAFUAGL-DAYGRLMNSA-N 0 3 360.458 2.509 20 5 FFBDHN O=[N+]([O-])c1cncc(Br)c1NC1CC(N2CCCCC2)C1 ZINC000480839315 515102065 /nfs/dbraw/zinc/10/20/65/515102065.db2.gz OUBFUJJYSQKYCF-UHFFFAOYSA-N 0 3 355.236 2.603 20 5 FFBDHN COCCO[C@H]1COCC[C@H]1NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000485686420 515141086 /nfs/dbraw/zinc/14/10/86/515141086.db2.gz JOUQXHPEAGIDCU-AEFFLSMTSA-N 0 3 352.431 2.628 20 5 FFBDHN CNc1c(C(=O)NCc2cccc(OCCN(C)C)c2)cccc1[N+](=O)[O-] ZINC000462990526 515323410 /nfs/dbraw/zinc/32/34/10/515323410.db2.gz SCYAHOMNCRNRPF-UHFFFAOYSA-N 0 3 372.425 2.507 20 5 FFBDHN CN1CCC(CCO)(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000472612487 515337257 /nfs/dbraw/zinc/33/72/57/515337257.db2.gz MKJWBQMDARFSMG-UHFFFAOYSA-N 0 3 359.426 2.791 20 5 FFBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000468459452 515368910 /nfs/dbraw/zinc/36/89/10/515368910.db2.gz ILKYCMVTPBKMBI-MRXNPFEDSA-N 0 3 372.425 2.699 20 5 FFBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H](c2ccccc2C)N(C)C)n1 ZINC000510552391 515582835 /nfs/dbraw/zinc/58/28/35/515582835.db2.gz QGQOCBZFYQATLN-SUMWQHHRSA-N 0 3 359.430 2.541 20 5 FFBDHN Cc1cc(Nc2c([N+](=O)[O-])ncn2C)cc(N2CCN(C(C)C)CC2)c1 ZINC000477803761 515597247 /nfs/dbraw/zinc/59/72/47/515597247.db2.gz ASZUOZOEINSXEM-UHFFFAOYSA-N 0 3 358.446 2.911 20 5 FFBDHN C[C@H]1CN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000505857072 515699189 /nfs/dbraw/zinc/69/91/89/515699189.db2.gz NQPKRAIWSCZVEE-QWRGUYRKSA-N 0 3 374.363 2.624 20 5 FFBDHN Cc1ccc([C@H](C)NCCC(=O)NCC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000511200783 515826157 /nfs/dbraw/zinc/82/61/57/515826157.db2.gz VDKGZYLQFQRDLK-HNNXBMFYSA-N 0 3 369.421 2.943 20 5 FFBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000511531531 515936360 /nfs/dbraw/zinc/93/63/60/515936360.db2.gz ZCBCDKMMHDRFFJ-CVEARBPZSA-N 0 3 362.474 2.899 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]1CN(C)C ZINC000464925369 516017853 /nfs/dbraw/zinc/01/78/53/516017853.db2.gz IUHGHZWXEHFKCY-AAEUAGOBSA-N 0 3 355.822 2.568 20 5 FFBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000511901075 516073981 /nfs/dbraw/zinc/07/39/81/516073981.db2.gz FZDSUKWQMMFINP-GOSISDBHSA-N 0 3 360.458 2.796 20 5 FFBDHN CC(C)[C@H]1CN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN1C ZINC000488083090 516111021 /nfs/dbraw/zinc/11/10/21/516111021.db2.gz YVZUBHVWHNWPAX-MLGOLLRUSA-N 0 3 368.865 2.847 20 5 FFBDHN C[C@H](CO)N1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000470131421 516133965 /nfs/dbraw/zinc/13/39/65/516133965.db2.gz GMQKFBJZWNDWAU-OAHLLOKOSA-N 0 3 359.426 2.743 20 5 FFBDHN O=C(c1ccc2c(c1)CNC2)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000470366356 516222249 /nfs/dbraw/zinc/22/22/49/516222249.db2.gz WXQWKKQLFXTQKI-UHFFFAOYSA-N 0 3 367.405 2.882 20 5 FFBDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000465707895 516234838 /nfs/dbraw/zinc/23/48/38/516234838.db2.gz LGTQBODUFBBOHX-GOSISDBHSA-N 0 3 370.453 2.609 20 5 FFBDHN CC[C@H](C)[C@@H](N)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000496224823 516245501 /nfs/dbraw/zinc/24/55/01/516245501.db2.gz UVEUOEBMZUKONW-TVQRCGJNSA-N 0 3 362.352 2.515 20 5 FFBDHN CSC1(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCN(C)CC1 ZINC000460984900 516297222 /nfs/dbraw/zinc/29/72/22/516297222.db2.gz WXVGOEVMEAOALX-UHFFFAOYSA-N 0 3 362.455 2.633 20 5 FFBDHN CN1C[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H](c2ccccc2)C1 ZINC000497402525 516320083 /nfs/dbraw/zinc/32/00/83/516320083.db2.gz UOBZKZQLIIBBQW-WBVHZDCISA-N 0 3 364.405 2.904 20 5 FFBDHN CN1C[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](c2ccccc2)C1 ZINC000497401298 516320090 /nfs/dbraw/zinc/32/00/90/516320090.db2.gz ZBLNGMAUZWOIOI-IEBWSBKVSA-N 0 3 364.405 2.904 20 5 FFBDHN C[C@H](N[C@H]1CCN(C)[C@@H]1c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000550678862 516379676 /nfs/dbraw/zinc/37/96/76/516379676.db2.gz WPNORCQKDHCOHC-ZOCIIQOWSA-N 0 3 368.437 2.957 20 5 FFBDHN COc1ccc(CN(C)C)cc1NC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000523064764 516381135 /nfs/dbraw/zinc/38/11/35/516381135.db2.gz AXHHYTDQHNJXOC-UHFFFAOYSA-N 0 3 359.382 2.926 20 5 FFBDHN CCN(CCN1CCCCCC1)c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000557749408 516418384 /nfs/dbraw/zinc/41/83/84/516418384.db2.gz YRSKLKIGPKSTHU-UHFFFAOYSA-N 0 3 364.446 2.787 20 5 FFBDHN COc1ccc(NC(=O)NCCN2[C@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000543887969 516481720 /nfs/dbraw/zinc/48/17/20/516481720.db2.gz QGKMRVSPPHDOLG-BETUJISGSA-N 0 3 350.419 2.988 20 5 FFBDHN C[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000513211581 516524810 /nfs/dbraw/zinc/52/48/10/516524810.db2.gz YEEPHBYMKCZABA-WFASDCNBSA-N 0 3 356.382 2.562 20 5 FFBDHN COc1ccccc1C[C@@H](C)N(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000544147276 516613704 /nfs/dbraw/zinc/61/37/04/516613704.db2.gz YSRSHCDXRVZLEY-WBVHZDCISA-N 0 3 374.437 2.906 20 5 FFBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000558145448 516615537 /nfs/dbraw/zinc/61/55/37/516615537.db2.gz AJWKZVBSXMSQCM-ZWKOTPCHSA-N 0 3 371.437 2.934 20 5 FFBDHN Cc1nccn1C[C@H](C)CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000513656239 516709156 /nfs/dbraw/zinc/70/91/56/516709156.db2.gz QVBYEZRUHQTCAT-RDTXWAMCSA-N 0 3 368.441 2.849 20 5 FFBDHN CN1CC[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000548094719 516759559 /nfs/dbraw/zinc/75/95/59/516759559.db2.gz OJWUUYCITFPYDK-HKUYNNGSSA-N 0 3 368.437 2.882 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000555231723 516840744 /nfs/dbraw/zinc/84/07/44/516840744.db2.gz YFTVSWTUGQZKKJ-MRXNPFEDSA-N 0 3 362.817 2.984 20 5 FFBDHN C[C@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCC[C@H]1C ZINC000519098924 516883959 /nfs/dbraw/zinc/88/39/59/516883959.db2.gz AMUZZHSQNJOKRY-HUUCEWRRSA-N 0 3 371.441 2.773 20 5 FFBDHN CCN(CC)[C@@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])CC(C)C ZINC000544714058 516889555 /nfs/dbraw/zinc/88/95/55/516889555.db2.gz YXNVLHPICQBACD-MRXNPFEDSA-N 0 3 371.503 2.771 20 5 FFBDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000555415192 516918358 /nfs/dbraw/zinc/91/83/58/516918358.db2.gz JEUGQODXSNZHJS-KKBVYLPWSA-N 0 3 359.426 2.859 20 5 FFBDHN Cc1cc(N2CCC[C@@H](N[C@@H]3CCc4c3cccc4[N+](=O)[O-])C2)n(C)n1 ZINC000519643228 517100985 /nfs/dbraw/zinc/10/09/85/517100985.db2.gz GPVCIJDWTCAORW-RHSMWYFYSA-N 0 3 355.442 2.883 20 5 FFBDHN COC(=O)[C@@H]1CCCC[C@@]1(C)NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000537273446 517119551 /nfs/dbraw/zinc/11/95/51/517119551.db2.gz JMOHNZSZJFOMPU-SCLBCKFNSA-N 0 3 363.414 2.553 20 5 FFBDHN COc1ccc(CNC(=O)NC[C@H](C)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000520071508 517269860 /nfs/dbraw/zinc/26/98/60/517269860.db2.gz NZPOKKIKPXZOHH-AWEZNQCLSA-N 0 3 364.446 2.523 20 5 FFBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000526046918 517311909 /nfs/dbraw/zinc/31/19/09/517311909.db2.gz HGQUUPHZVPVQLI-OUOSUHLLSA-N 0 3 352.456 2.944 20 5 FFBDHN CN1CCC2(CCCN2C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000541991170 517328002 /nfs/dbraw/zinc/32/80/02/517328002.db2.gz GMPVHEJCRJOMJW-UHFFFAOYSA-N 0 3 369.368 2.897 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC[C@@H](C)N1CCCCC1 ZINC000542323409 517504206 /nfs/dbraw/zinc/50/42/06/517504206.db2.gz VFEKVBTVDCHGCI-OAHLLOKOSA-N 0 3 369.487 2.754 20 5 FFBDHN O=[N+]([O-])c1cc(CNC[C@@]2(O)CCOC2)ccc1Oc1ccc(F)cc1 ZINC000533636668 517556112 /nfs/dbraw/zinc/55/61/12/517556112.db2.gz FUJSVNQQHLSTAE-SFHVURJKSA-N 0 3 362.357 2.767 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCC2CCC(F)(F)CC2)cc1 ZINC000563011239 517581789 /nfs/dbraw/zinc/58/17/89/517581789.db2.gz LVYBQASTOXBQDT-UHFFFAOYSA-N 0 3 362.398 2.784 20 5 FFBDHN C[C@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)N1CCC[C@@H](C)C1 ZINC000533823973 517629405 /nfs/dbraw/zinc/62/94/05/517629405.db2.gz CKCFWNCEUNXKAI-HUUCEWRRSA-N 0 3 360.458 2.783 20 5 FFBDHN CS[C@H]1CN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1N(C)C ZINC000533928431 517672562 /nfs/dbraw/zinc/67/25/62/517672562.db2.gz QQUMIOFKPNGYRY-CVEARBPZSA-N 0 3 373.482 2.842 20 5 FFBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000516826135 517858424 /nfs/dbraw/zinc/85/84/24/517858424.db2.gz OROYAWHIIAEYGA-SCLBCKFNSA-N 0 3 373.457 2.600 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)CCN1Cc1ccccc1 ZINC000530709896 517933581 /nfs/dbraw/zinc/93/35/81/517933581.db2.gz KJSDWHRIPIZBGT-GOEBONIOSA-N 0 3 356.426 2.716 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)c1 ZINC000534797002 518036544 /nfs/dbraw/zinc/03/65/44/518036544.db2.gz IWCBICILMYULKM-HZPDHXFCSA-N 0 3 357.410 2.651 20 5 FFBDHN CC(C)Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])nn2C)N(C)C)cc1 ZINC000554084088 518054443 /nfs/dbraw/zinc/05/44/43/518054443.db2.gz NDIYBVHQTPVFTA-KRWDZBQOSA-N 0 3 373.457 2.560 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCc2ccccc2[C@H]1CN ZINC000572483594 518213693 /nfs/dbraw/zinc/21/36/93/518213693.db2.gz GXOFOIARYDCOIW-LJQANCHMSA-N 0 3 368.437 2.790 20 5 FFBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CN(c2ccccc2)CCO1 ZINC000569821836 518311786 /nfs/dbraw/zinc/31/17/86/518311786.db2.gz DNGVAXWVQJEGKR-HXUWFJFHSA-N 0 3 355.438 2.975 20 5 FFBDHN COc1ccc(OCCOc2ccc3c(c2)OCCNC3)c([N+](=O)[O-])c1 ZINC000569920158 518356095 /nfs/dbraw/zinc/35/60/95/518356095.db2.gz NPQIZLMNSZHMTG-UHFFFAOYSA-N 0 3 360.366 2.543 20 5 FFBDHN C[C@@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000578759912 518361324 /nfs/dbraw/zinc/36/13/24/518361324.db2.gz PCGNZZMYERPPQW-SNVBAGLBSA-N 0 3 354.350 2.547 20 5 FFBDHN Cc1ccccc1O[C@H](C)CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000576272461 518512108 /nfs/dbraw/zinc/51/21/08/518512108.db2.gz YWFVUDXSSRSZSJ-NVXWUHKLSA-N 0 3 360.410 2.700 20 5 FFBDHN CN1CCO[C@H]2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@H]21 ZINC000585767607 518591365 /nfs/dbraw/zinc/59/13/65/518591365.db2.gz LSACHTBDMXOVIG-MJGOQNOKSA-N 0 3 357.410 2.760 20 5 FFBDHN CC(C)C[C@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000582137955 518606666 /nfs/dbraw/zinc/60/66/66/518606666.db2.gz NDABLOJDKGMBLD-QZTJIDSGSA-N 0 3 359.474 2.984 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H]2CCc3ccccc32)cc1 ZINC000582176588 518624850 /nfs/dbraw/zinc/62/48/50/518624850.db2.gz BIDYTMZZSKENJL-OAHLLOKOSA-N 0 3 360.435 2.688 20 5 FFBDHN COC[C@H](C)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000582210674 518638919 /nfs/dbraw/zinc/63/89/19/518638919.db2.gz BMADESMOTNXXCR-SECBINFHSA-N 0 3 364.183 2.572 20 5 FFBDHN CCO[C@H]1C[C@H](NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C12CCCC2 ZINC000582234055 518652475 /nfs/dbraw/zinc/65/24/75/518652475.db2.gz QIGJZMHGAXUEBJ-IRXDYDNUSA-N 0 3 361.442 2.885 20 5 FFBDHN Cc1cccc(C)c1CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000567687443 518655724 /nfs/dbraw/zinc/65/57/24/518655724.db2.gz INRYLYVIISHLEM-UHFFFAOYSA-N 0 3 362.451 2.818 20 5 FFBDHN CS(=O)(=O)Nc1ccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000565219325 518848321 /nfs/dbraw/zinc/84/83/21/518848321.db2.gz WLLHTHVZUZCIJB-MRXNPFEDSA-N 0 3 361.423 2.743 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](N)Cc3ccccc32)cc1SC ZINC000573834326 518857619 /nfs/dbraw/zinc/85/76/19/518857619.db2.gz YVSKMRNQTUIXEH-GFCCVEGCSA-N 0 3 373.434 2.856 20 5 FFBDHN CCOc1ccc(C(=O)N2CCc3ccccc3[C@@H]2CN)cc1[N+](=O)[O-] ZINC000582667605 518866473 /nfs/dbraw/zinc/86/64/73/518866473.db2.gz UGXOHOTUGBRASH-KRWDZBQOSA-N 0 3 355.394 2.692 20 5 FFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)CCN(C)C1CC1 ZINC000573941242 518911535 /nfs/dbraw/zinc/91/15/35/518911535.db2.gz YDNABWXHPYOIKL-UHFFFAOYSA-N 0 3 370.247 2.832 20 5 FFBDHN CCC[C@@H](O)[C@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000579936441 518928454 /nfs/dbraw/zinc/92/84/54/518928454.db2.gz RZYQNHHCPCCYIG-JKSUJKDBSA-N 0 3 350.440 2.935 20 5 FFBDHN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC[C@@H]1CCN(C2CC2)C1 ZINC000568572043 519105487 /nfs/dbraw/zinc/10/54/87/519105487.db2.gz VDVBEPLBHKUPOV-NSHDSACASA-N 0 3 351.378 2.807 20 5 FFBDHN CN(CCNc1ncnc2cccc([N+](=O)[O-])c21)Cc1ccc(F)cc1 ZINC000568696327 519167079 /nfs/dbraw/zinc/16/70/79/519167079.db2.gz YLRFQTJXCIUGSZ-UHFFFAOYSA-N 0 3 355.373 2.643 20 5 FFBDHN CCOc1cc(CN[C@H]2CCCC[C@H]2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000574512856 519190647 /nfs/dbraw/zinc/19/06/47/519190647.db2.gz NYAVZEGJECASQI-DLBZAZTESA-N 0 3 363.458 2.727 20 5 FFBDHN Cc1cccc(-c2cccc(CNC[C@H](O)Cn3cc([N+](=O)[O-])cn3)c2)c1 ZINC000577722698 519222539 /nfs/dbraw/zinc/22/25/39/519222539.db2.gz WZMIJMFRJFGMRG-FQEVSTJZSA-N 0 3 366.421 2.917 20 5 FFBDHN CN(C)CCOc1cc(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])ccn1 ZINC000590455144 519238652 /nfs/dbraw/zinc/23/86/52/519238652.db2.gz QDNIUMFDBQONOV-UHFFFAOYSA-N 0 3 372.425 2.595 20 5 FFBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnn1CCN(C)C ZINC000590519176 519254244 /nfs/dbraw/zinc/25/42/44/519254244.db2.gz AFUUHUKKVCNNQF-OAHLLOKOSA-N 0 3 359.430 2.560 20 5 FFBDHN CCN(CC)[C@H](CNc1nccc(C(=O)OC)c1[N+](=O)[O-])c1ccco1 ZINC000590574860 519271850 /nfs/dbraw/zinc/27/18/50/519271850.db2.gz HTXAZTZCXHTUFA-CYBMUJFWSA-N 0 3 362.386 2.864 20 5 FFBDHN CN(CCCN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1)Cc1ccncc1 ZINC000580673164 519295210 /nfs/dbraw/zinc/29/52/10/519295210.db2.gz VVIUQTNELSABFT-UHFFFAOYSA-N 0 3 356.426 2.513 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CN[C@H]1CCO[C@H](c3ccncc3)C1)OCCO2 ZINC000590660231 519305956 /nfs/dbraw/zinc/30/59/56/519305956.db2.gz QYPYQVGHMLRLBG-RDJZCZTQSA-N 0 3 371.393 2.771 20 5 FFBDHN C[C@@H]1CSCCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000571854743 519308995 /nfs/dbraw/zinc/30/89/95/519308995.db2.gz HPNMAMRKNWNPGF-LBPRGKRZSA-N 0 3 351.428 2.578 20 5 FFBDHN CC[C@H](C)N[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000580793377 519362011 /nfs/dbraw/zinc/36/20/11/519362011.db2.gz DXCGASLDEZDDQD-XHDPSFHLSA-N 0 3 371.397 2.923 20 5 FFBDHN CNc1nccc(C(=O)Nc2cc(CN3CCCC3)ccc2C)c1[N+](=O)[O-] ZINC000566440610 519494502 /nfs/dbraw/zinc/49/45/02/519494502.db2.gz MRXPJKMWJOZUCK-UHFFFAOYSA-N 0 3 369.425 2.610 20 5 FFBDHN O=C(Nc1ccc2c(c1F)CCNC2)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000583920048 519501273 /nfs/dbraw/zinc/50/12/73/519501273.db2.gz CSSSUZPEQVQZHU-UHFFFAOYSA-N 0 3 370.384 2.970 20 5 FFBDHN C[C@H](C(=O)Nc1ccnc(OCCN(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000572223942 519502986 /nfs/dbraw/zinc/50/29/86/519502986.db2.gz GCLVWQLDWXXETM-ZDUSSCGKSA-N 0 3 358.398 2.672 20 5 FFBDHN Cc1c(NC(=O)CCN2CCC=C(c3cnn(C)c3)C2)cccc1[N+](=O)[O-] ZINC000602886089 519948321 /nfs/dbraw/zinc/94/83/21/519948321.db2.gz GLORKKFVJKAUBI-UHFFFAOYSA-N 0 3 369.425 2.755 20 5 FFBDHN CCCN1CCC[C@H]1CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599933824 519958575 /nfs/dbraw/zinc/95/85/75/519958575.db2.gz LSSQQIJWRQUFNO-NSHDSACASA-N 0 3 370.247 2.962 20 5 FFBDHN Cn1nnc2c1CC[C@@H](NCc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000594514615 520010556 /nfs/dbraw/zinc/01/05/56/520010556.db2.gz JNTWIFTZBPKJTB-CYBMUJFWSA-N 0 3 353.382 2.630 20 5 FFBDHN CC[C@H](CN1CCCC1)Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000594556934 520026363 /nfs/dbraw/zinc/02/63/63/520026363.db2.gz WTDCARXZLVUKTD-CQSZACIVSA-N 0 3 366.437 2.857 20 5 FFBDHN CC(C)(C)N1CC[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000600092836 520040531 /nfs/dbraw/zinc/04/05/31/520040531.db2.gz JTPFQBKTVXBOAF-JTQLQIEISA-N 0 3 370.247 2.960 20 5 FFBDHN CCOC(=O)CCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592131048 520206587 /nfs/dbraw/zinc/20/65/87/520206587.db2.gz RWCGONLZYQVKMI-WKILWMFISA-N 0 3 350.415 2.654 20 5 FFBDHN CS(=O)(=O)C1(CNC/C=C\c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000594974773 520236765 /nfs/dbraw/zinc/23/67/65/520236765.db2.gz IOBBBRYTEYSQKW-CLFYSBASSA-N 0 3 352.456 2.945 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C(C)C)C1(CO)CC=CC1 ZINC000592178304 520247572 /nfs/dbraw/zinc/24/75/72/520247572.db2.gz YFFSUNIHVVZHDD-GOSISDBHSA-N 0 3 361.442 2.785 20 5 FFBDHN C[C@H]1CC2(CN1[C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CCOCC2 ZINC000592183923 520249425 /nfs/dbraw/zinc/24/94/25/520249425.db2.gz LFJILTUSDNKZTN-YOEHRIQHSA-N 0 3 359.426 2.591 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000595003042 520250597 /nfs/dbraw/zinc/25/05/97/520250597.db2.gz BMEQGJBVWQLXHP-KFWWJZLASA-N 0 3 351.447 2.753 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCc1nnc2n1CCCCC2 ZINC000595003691 520252396 /nfs/dbraw/zinc/25/23/96/520252396.db2.gz JUPBNDGNQLNPPM-CYBMUJFWSA-N 0 3 359.430 2.815 20 5 FFBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2cnc(C(F)(F)F)nc2)n1 ZINC000595058536 520273828 /nfs/dbraw/zinc/27/38/28/520273828.db2.gz CODOYIOPPXSZND-VXGBXAGGSA-N 0 3 370.335 2.874 20 5 FFBDHN O=C(NC[C@@H]1CCN1C1CCCC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000600469380 520278869 /nfs/dbraw/zinc/27/88/69/520278869.db2.gz AJYGPZUIJFJJJC-AWEZNQCLSA-N 0 3 370.409 2.595 20 5 FFBDHN CC(C)[C@H]1CN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CCN1 ZINC000592244415 520286570 /nfs/dbraw/zinc/28/65/70/520286570.db2.gz BXXOCQNZHVUGOI-QGZVFWFLSA-N 0 3 374.485 2.901 20 5 FFBDHN C[C@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCCC[C@@H]1C ZINC000603743034 520352755 /nfs/dbraw/zinc/35/27/55/520352755.db2.gz RHYXEHMYWZMXIX-LSDHHAIUSA-N 0 3 371.441 2.773 20 5 FFBDHN CCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCN(CC)C1 ZINC000598040547 520388806 /nfs/dbraw/zinc/38/88/06/520388806.db2.gz HTNPBLQEPSNTMB-TZMCWYRMSA-N 0 3 369.849 2.958 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000598061443 520404414 /nfs/dbraw/zinc/40/44/14/520404414.db2.gz FMMBPDSGSJFNRE-UHFFFAOYSA-N 0 3 368.437 2.940 20 5 FFBDHN CNC(=O)[C@@]1(C(F)(F)F)CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000592525607 520440075 /nfs/dbraw/zinc/44/00/75/520440075.db2.gz AUBDQKHSCBLPBM-OQRGYWNNSA-N 0 3 371.359 2.999 20 5 FFBDHN CNc1ccc(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)cc1[N+](=O)[O-] ZINC000604191897 520479692 /nfs/dbraw/zinc/47/96/92/520479692.db2.gz BIWGZDVLBAINOH-INIZCTEOSA-N 0 3 356.426 2.539 20 5 FFBDHN CCOC(=O)c1ccnc(NCCN2[C@@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000609963824 520491339 /nfs/dbraw/zinc/49/13/39/520491339.db2.gz PXQXXWYVIQECFR-STQMWFEESA-N 0 3 350.419 2.841 20 5 FFBDHN COCC[C@H]1CCCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000613503381 520533905 /nfs/dbraw/zinc/53/39/05/520533905.db2.gz QZYJAJBHOCHWDB-QAPCUYQASA-N 0 3 361.442 2.839 20 5 FFBDHN CCCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000592830161 520606510 /nfs/dbraw/zinc/60/65/10/520606510.db2.gz COLRQHFXJKYWED-MRXNPFEDSA-N 0 3 360.458 2.751 20 5 FFBDHN CCCN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)[C@@H]1CCN(C)C1 ZINC000592828868 520607268 /nfs/dbraw/zinc/60/72/68/520607268.db2.gz KIKGJJUTUZZCRD-OAHLLOKOSA-N 0 3 357.414 2.541 20 5 FFBDHN COC[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC000595684532 520648229 /nfs/dbraw/zinc/64/82/29/520648229.db2.gz OCXKDJWCHWGRAY-GOSISDBHSA-N 0 3 373.409 2.909 20 5 FFBDHN C[C@H]1CN(c2ccnc3ccc([N+](=O)[O-])cc32)CC[C@H]1N1CCN(C)CC1 ZINC000601136835 520653899 /nfs/dbraw/zinc/65/38/99/520653899.db2.gz YRCDLALLEADRDE-HNAYVOBHSA-N 0 3 369.469 2.605 20 5 FFBDHN COC(=O)c1ccnc(Nc2cccc3c2OCC[C@H]3N(C)C)c1[N+](=O)[O-] ZINC000598623116 520748149 /nfs/dbraw/zinc/74/81/49/520748149.db2.gz VKJZVNAUZRJYLN-CQSZACIVSA-N 0 3 372.381 2.905 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)Cc1ccc(Br)cc1 ZINC000610782750 520841737 /nfs/dbraw/zinc/84/17/37/520841737.db2.gz YPRZTOBZLNIBTB-UHFFFAOYSA-N 0 3 353.220 2.994 20 5 FFBDHN CN1CCC[C@@]2(CCN(C(=O)C3(c4ccc([N+](=O)[O-])cc4)CCC3)C2)C1 ZINC000601602030 520862410 /nfs/dbraw/zinc/86/24/10/520862410.db2.gz FVZZVMICUVYFJE-LJQANCHMSA-N 0 3 357.454 2.961 20 5 FFBDHN COc1ccc(CN2CC[C@@H](NCCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000596047155 520877595 /nfs/dbraw/zinc/87/75/95/520877595.db2.gz MPXIJUKJJWSVOV-LJQANCHMSA-N 0 3 369.421 2.537 20 5 FFBDHN O=[N+]([O-])c1cnccc1NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000610915190 520902621 /nfs/dbraw/zinc/90/26/21/520902621.db2.gz YRSOWUQGSYZJNK-UHFFFAOYSA-N 0 3 360.389 2.506 20 5 FFBDHN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCCCN(Cc3ccccc3)C2)n1 ZINC000601726304 520921244 /nfs/dbraw/zinc/92/12/44/520921244.db2.gz HTRCKZYBDHPGQG-INIZCTEOSA-N 0 3 371.441 2.503 20 5 FFBDHN COc1cc(CNCCN2CCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000611039944 520956914 /nfs/dbraw/zinc/95/69/14/520956914.db2.gz ODVXKBZVYIVRMB-UHFFFAOYSA-N 0 3 371.437 2.978 20 5 FFBDHN O=[N+]([O-])c1cc2ccccc2nc1N1CCC(N2CCCOCC2)CC1 ZINC000596269023 521002897 /nfs/dbraw/zinc/00/28/97/521002897.db2.gz QWVJGNFCHNWPLQ-UHFFFAOYSA-N 0 3 356.426 2.834 20 5 FFBDHN C[C@H](NC[C@@H]1CN(Cc2ccncc2)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000599086920 521025260 /nfs/dbraw/zinc/02/52/60/521025260.db2.gz BHVQBGCWAGWBFL-HNAYVOBHSA-N 0 3 356.426 2.541 20 5 FFBDHN COCCN1CCC[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000611182176 521027361 /nfs/dbraw/zinc/02/73/61/521027361.db2.gz XMDKSGFZKXTCGR-INIZCTEOSA-N 0 3 356.426 2.601 20 5 FFBDHN O=C(Nc1ccc(CN2CCC(O)CC2)cc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000611197388 521033809 /nfs/dbraw/zinc/03/38/09/521033809.db2.gz AAYLWEBWGSCHNZ-UHFFFAOYSA-N 0 3 373.384 2.943 20 5 FFBDHN CCOC(=O)c1ccnc(N[C@H]2CCN(C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000596477867 521090676 /nfs/dbraw/zinc/09/06/76/521090676.db2.gz LCVHDQRFZKLGDI-ZDUSSCGKSA-N 0 3 362.430 2.985 20 5 FFBDHN C[S@](=O)c1ccc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000618571899 521129204 /nfs/dbraw/zinc/12/92/04/521129204.db2.gz NHHSROLLOHXJJM-RVFQGNMQSA-N 0 3 362.455 2.802 20 5 FFBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@H]2CC[C@@H](C1)S2 ZINC000599553109 521292938 /nfs/dbraw/zinc/29/29/38/521292938.db2.gz NLZUWULWNPFDOH-KGLIPLIRSA-N 0 3 363.439 2.863 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@H](c1ccccn1)C1CCC1 ZINC000599574326 521306562 /nfs/dbraw/zinc/30/65/62/521306562.db2.gz SEYIETVNKZQIQI-KXBFYZLASA-N 0 3 357.410 2.861 20 5 FFBDHN C[C@H]1COCCN1C1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593990928 521333931 /nfs/dbraw/zinc/33/39/31/521333931.db2.gz QICQLCJDWQJKPH-INIZCTEOSA-N 0 3 363.458 2.549 20 5 FFBDHN CN(C)C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC000599628988 521342774 /nfs/dbraw/zinc/34/27/74/521342774.db2.gz WKYKXLUZOSUFMX-HNNXBMFYSA-N 0 3 372.256 2.991 20 5 FFBDHN CSC[C@](C)(O)CNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602551180 521407808 /nfs/dbraw/zinc/40/78/08/521407808.db2.gz NEUZMKUJTYYMCM-SNVBAGLBSA-N 0 3 355.279 2.622 20 5 FFBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000594198964 521464601 /nfs/dbraw/zinc/46/46/01/521464601.db2.gz WQICGJKXWJUHKM-KBPBESRZSA-N 0 3 369.368 2.943 20 5 FFBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000594198699 521465453 /nfs/dbraw/zinc/46/54/53/521465453.db2.gz VCPGVBPGRAHVAS-CVEARBPZSA-N 0 3 369.425 2.527 20 5 FFBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597091139 521496218 /nfs/dbraw/zinc/49/62/18/521496218.db2.gz VSZGUZWDBRZKNH-SNVBAGLBSA-N 0 3 355.826 2.825 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCCN(Cc2ccccc2C)CC1 ZINC000602758986 521517890 /nfs/dbraw/zinc/51/78/90/521517890.db2.gz ITIDNALLQQKWKK-UHFFFAOYSA-N 0 3 357.458 2.616 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](CC(=O)OC(C)C)c1ccccc1 ZINC000602806377 521544385 /nfs/dbraw/zinc/54/43/85/521544385.db2.gz SFPJNPUIQRKIQC-MRXNPFEDSA-N 0 3 360.414 2.772 20 5 FFBDHN O=[N+]([O-])c1ccc2[nH]c(CN3CCCN(c4ccncc4)CC3)nc2c1 ZINC000602847102 521567491 /nfs/dbraw/zinc/56/74/91/521567491.db2.gz SOSJNBZSJPHTJY-UHFFFAOYSA-N 0 3 352.398 2.578 20 5 FFBDHN CC(C)N1CCCC[C@@H]1CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000619864426 521909725 /nfs/dbraw/zinc/90/97/25/521909725.db2.gz OZJKWYBURAEOJN-APWZRJJASA-N 0 3 374.441 2.625 20 5 FFBDHN C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824598288 608481118 /nfs/dbraw/zinc/48/11/18/608481118.db2.gz DKQXNJQIWBLPGR-GFCCVEGCSA-N 0 3 354.370 2.505 20 5 FFBDHN C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824598288 608481120 /nfs/dbraw/zinc/48/11/20/608481120.db2.gz DKQXNJQIWBLPGR-GFCCVEGCSA-N 0 3 354.370 2.505 20 5 FFBDHN Cc1nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164896266 721511778 /nfs/dbraw/zinc/51/17/78/721511778.db2.gz AESSGNGEUAHDJU-RDJZCZTQSA-N 0 3 372.400 2.779 20 5 FFBDHN CN(C[C@@H]1CCCN1C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000092627073 728469624 /nfs/dbraw/zinc/46/96/24/728469624.db2.gz OUHWDJZKYJNHDY-NSHDSACASA-N 0 3 356.220 2.524 20 5 FFBDHN O=[N+]([O-])c1cc(CN2CCN(CC3CC3)CC2)ccc1Br ZINC000107779305 728517922 /nfs/dbraw/zinc/51/79/22/728517922.db2.gz MPQBMBMSIYYHHO-UHFFFAOYSA-N 0 3 354.248 2.885 20 5 FFBDHN CCN(CC)[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccsc1 ZINC000126349686 728699783 /nfs/dbraw/zinc/69/97/83/728699783.db2.gz UATVXFFFTBPRHE-AWEZNQCLSA-N 0 3 363.443 2.645 20 5 FFBDHN COCCN1CCC[C@H]1COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000861035126 730569443 /nfs/dbraw/zinc/56/94/43/730569443.db2.gz UAYYQIVFFCUMQM-INIZCTEOSA-N 0 3 350.415 2.526 20 5 FFBDHN CO[C@H]1CN(C)[C@@](C)(COC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000861352739 730603336 /nfs/dbraw/zinc/60/33/36/730603336.db2.gz KBLBWDUJCDIMMU-FZKQIMNGSA-N 0 3 350.415 2.525 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@H]2CCN2C2CCCC2)c1F ZINC000863031912 730744355 /nfs/dbraw/zinc/74/43/55/730744355.db2.gz KFQRFIALFMFYKP-LBPRGKRZSA-N 0 3 353.369 2.928 20 5 FFBDHN COCCN(Cc1ccc(Br)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000879709526 732756225 /nfs/dbraw/zinc/75/62/25/732756225.db2.gz MAGCYQPOGSMALN-UHFFFAOYSA-N 0 3 373.247 2.985 20 5 FFBDHN Cc1csc([C@H]2CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)n1 ZINC000880008762 732818837 /nfs/dbraw/zinc/81/88/37/732818837.db2.gz HDKAYOSQULOXOA-UONOGXRCSA-N 0 3 363.439 2.589 20 5 FFBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC[C@@H]1CCCS1(=O)=O ZINC000883309864 733366956 /nfs/dbraw/zinc/36/69/56/733366956.db2.gz WCKBJXLNDXDOTE-YPMHNXCESA-N 0 3 358.485 2.935 20 5 FFBDHN CN(CCN1CC2(C1)CCOCC2)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000895860483 735065713 /nfs/dbraw/zinc/06/57/13/735065713.db2.gz AKKFEEUEIDGCQU-UHFFFAOYSA-N 0 3 353.850 2.792 20 5 FFBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CCN2C2CCOCC2)c(OC(F)F)c1 ZINC000896522030 735172392 /nfs/dbraw/zinc/17/23/92/735172392.db2.gz MYESOGNDOLVHAK-ZDUSSCGKSA-N 0 3 357.357 2.861 20 5 FFBDHN O=[N+]([O-])c1c(N2CC[C@H]3[C@@H]2CCCN3CCO)cccc1C(F)(F)F ZINC000897216015 735207198 /nfs/dbraw/zinc/20/71/98/735207198.db2.gz GRBYLLJFFFBNES-STQMWFEESA-N 0 3 359.348 2.649 20 5 FFBDHN COc1c([O-])ccc(C[N@@H+]2CCC[C@@H](C3CCOCC3)C2)c1[N+](=O)[O-] ZINC000897269747 735213344 /nfs/dbraw/zinc/21/33/44/735213344.db2.gz OLFZLWKGGAVDRC-CQSZACIVSA-N 0 3 350.415 2.948 20 5 FFBDHN COc1c([O-])ccc(C[N@H+]2CCC[C@@H](C3CCOCC3)C2)c1[N+](=O)[O-] ZINC000897269747 735213350 /nfs/dbraw/zinc/21/33/50/735213350.db2.gz OLFZLWKGGAVDRC-CQSZACIVSA-N 0 3 350.415 2.948 20 5 FFBDHN COc1c(O)ccc(CN2CCC[C@@H](C3CCOCC3)C2)c1[N+](=O)[O-] ZINC000897269747 735213355 /nfs/dbraw/zinc/21/33/55/735213355.db2.gz OLFZLWKGGAVDRC-CQSZACIVSA-N 0 3 350.415 2.948 20 5 FFBDHN COc1cc([C@@H](C)NCC[S@](=O)CC(F)(F)F)cc([N+](=O)[O-])c1 ZINC000903201653 736054218 /nfs/dbraw/zinc/05/42/18/736054218.db2.gz ZAXTVOSKMQFOEU-WBNWAKSLSA-N 0 3 354.350 2.565 20 5 FFBDHN COc1cc(CNC[C@@H]2CC[C@@H](C(F)(F)F)O2)c([N+](=O)[O-])cc1O ZINC000922462983 738149367 /nfs/dbraw/zinc/14/93/67/738149367.db2.gz QAHNURMNWICEPF-ZANVPECISA-N 0 3 350.293 2.509 20 5 FFBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778247726 738366430 /nfs/dbraw/zinc/36/64/30/738366430.db2.gz OCHOVOWCBJAOKI-CHWSQXEVSA-N 0 3 355.385 2.923 20 5 FFBDHN C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788603587 739262689 /nfs/dbraw/zinc/26/26/89/739262689.db2.gz FHTOPLAKJRJLDK-AAEUAGOBSA-N 0 3 350.419 2.837 20 5 FFBDHN O=C(CN[C@H]1CCOC12CCCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000934390012 739779596 /nfs/dbraw/zinc/77/95/96/739779596.db2.gz GIFFIQSQTLJYKA-AWEZNQCLSA-N 0 3 353.806 2.878 20 5 FFBDHN CCOc1cc(N2CCN(CCCCCCO)CC2)ccc1[N+](=O)[O-] ZINC000796462542 740145350 /nfs/dbraw/zinc/14/53/50/740145350.db2.gz APQPHFJYWYBFOX-UHFFFAOYSA-N 0 3 351.447 2.668 20 5 FFBDHN C[C@@H]1CN(CCCCNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000804539982 740882056 /nfs/dbraw/zinc/88/20/56/740882056.db2.gz RGBXTUUJPKFCJM-CHWSQXEVSA-N 0 3 352.391 2.804 20 5 FFBDHN CCN(CC)CCS(=O)(=O)Oc1cc([N+](=O)[O-])c(Cl)cc1C ZINC000810049965 741377091 /nfs/dbraw/zinc/37/70/91/741377091.db2.gz IFHHIXSJLNQRRP-UHFFFAOYSA-N 0 3 350.824 2.607 20 5 FFBDHN Cc1sc2ncnc(SCCC(=O)OCC(C)[N+](=O)[O-])c2c1C ZINC000813106771 741677936 /nfs/dbraw/zinc/67/79/36/741677936.db2.gz GXDFBLZXALLPDD-QMMMGPOBSA-N 0 3 355.441 2.999 20 5 FFBDHN CC(COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000813112692 741678188 /nfs/dbraw/zinc/67/81/88/741678188.db2.gz TTWRADMWNXBEHZ-MQYQWHSLSA-N 0 3 356.419 2.763 20 5 FFBDHN CC(COC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1)[N+](=O)[O-] ZINC000813111732 741678353 /nfs/dbraw/zinc/67/83/53/741678353.db2.gz KRLNUNNPTITAMH-GXTWGEPZSA-N 0 3 352.387 2.503 20 5 FFBDHN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813113216 741678476 /nfs/dbraw/zinc/67/84/76/741678476.db2.gz OKPXBFVHEPRTTD-BXUZGUMPSA-N 0 3 356.806 2.693 20 5 FFBDHN CC(COC(=O)c1ccc2c(c1)CCN2C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000813113578 741678803 /nfs/dbraw/zinc/67/88/03/741678803.db2.gz GKURKKGNSRXUNY-NSHDSACASA-N 0 3 350.371 2.806 20 5 FFBDHN COc1ccc(OCC(F)(F)C(F)F)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000821166817 742596630 /nfs/dbraw/zinc/59/66/30/742596630.db2.gz HPTMTCHMMJXVKY-QMMMGPOBSA-N 0 3 369.267 2.796 20 5 FFBDHN CCN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)C1CCN(C)CC1 ZINC000821400396 742621387 /nfs/dbraw/zinc/62/13/87/742621387.db2.gz AOMNQIZXTVIVEK-UHFFFAOYSA-N 0 3 358.801 2.526 20 5 FFBDHN O=C1NC(CC(F)(F)F)C(=O)N1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000843315981 747810903 /nfs/dbraw/zinc/81/09/03/747810903.db2.gz FUMTXKUCYZHVRV-ZETCQYMHSA-N 0 3 371.193 2.991 20 5 FFBDHN COC(=O)N(C)CCCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845874662 748341185 /nfs/dbraw/zinc/34/11/85/748341185.db2.gz JHVJKRAAWXWFAJ-IAQYHMDHSA-N 0 3 356.350 2.554 20 5 FFBDHN CC(C)NC(=O)CCCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873982 748341607 /nfs/dbraw/zinc/34/16/07/748341607.db2.gz GGCXQHDAPWQFEG-PXAZEXFGSA-N 0 3 354.378 2.770 20 5 FFBDHN COCc1ncsc1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845881491 748344210 /nfs/dbraw/zinc/34/42/10/748344210.db2.gz LHZIHUZVWZXUOZ-ZANVPECISA-N 0 3 354.359 2.992 20 5 FFBDHN CCOC(=O)[C@@H]1CC[C@H](C)N(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000852203492 749801763 /nfs/dbraw/zinc/80/17/63/749801763.db2.gz BXTUINBNMCENNP-NSNWQYSKSA-N 0 3 350.415 2.680 20 5 FFBDHN O=[N+]([O-])c1cc2c(nc1NC1CCN(C[C@H]3CCCO3)CC1)CCCC2 ZINC000825583039 1013142230 /nfs/dbraw/zinc/14/22/30/1013142230.db2.gz JHTNCFPZQICJKK-MRXNPFEDSA-N 0 3 360.458 2.924 20 5 FFBDHN O=C1CN(CN2CCC[C@@H]2C2CCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000728195242 959392924 /nfs/dbraw/zinc/39/29/24/959392924.db2.gz DLZVTOFELMWEMJ-MRXNPFEDSA-N 0 3 358.398 2.585 20 5 FFBDHN COC(=O)[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)[C@H]([C@@H]2CCCO2)C1 ZINC000933181441 963675843 /nfs/dbraw/zinc/67/58/43/963675843.db2.gz QUJQXMHEDBSXKE-NJAFHUGGSA-N 0 3 362.426 2.570 20 5 FFBDHN C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[C@H]1CN(C)CCN1C ZINC000895247764 968761535 /nfs/dbraw/zinc/76/15/35/968761535.db2.gz WFFKBKSARSTFMK-RHSMWYFYSA-N 0 3 355.442 2.703 20 5 FFBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000874845396 1013916563 /nfs/dbraw/zinc/91/65/63/1013916563.db2.gz GGJZLLIUHJJPMO-FUHWJXTLSA-N 0 3 372.469 2.506 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC([C@@H](O)c2ccccc2C)CC1 ZINC000878607472 1015129732 /nfs/dbraw/zinc/12/97/32/1015129732.db2.gz XKFZIHSPYXWTCI-LJQANCHMSA-N 0 3 358.442 2.854 20 5 FFBDHN C[C@H]1CN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CCN(C2CC2)C1 ZINC000878658206 1015155321 /nfs/dbraw/zinc/15/53/21/1015155321.db2.gz VCTWGSDXYFYEIC-ZDUSSCGKSA-N 0 3 357.414 2.561 20 5 FFBDHN O=C1[C@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCN1c1ccccc1F ZINC000763369121 989778340 /nfs/dbraw/zinc/77/83/40/989778340.db2.gz PYZGOYOMDUAXRB-SJLPKXTDSA-N 0 3 373.384 2.553 20 5 FFBDHN CC(C)[C@@H](NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1nncn1C ZINC000809691516 994568823 /nfs/dbraw/zinc/56/88/23/994568823.db2.gz IZHXJCIOOAFDSZ-QGZVFWFLSA-N 0 3 358.446 2.679 20 5 FFBDHN CC(COC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)[N+](=O)[O-] ZINC000813103951 995615259 /nfs/dbraw/zinc/61/52/59/995615259.db2.gz VEMLHIIVAISSNB-YVEFUNNKSA-N 0 3 355.346 2.963 20 5 FFBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)N1CCCC[C@H]1C ZINC000825460549 997386773 /nfs/dbraw/zinc/38/67/73/997386773.db2.gz AHPAKNJVZGSREG-CHWSQXEVSA-N 0 3 366.437 2.793 20 5 FFBDHN COc1ccc(C2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)nc1 ZINC000844350898 997820704 /nfs/dbraw/zinc/82/07/04/997820704.db2.gz LQKIDZWQCKOKBY-LJQANCHMSA-N 0 3 357.410 2.911 20 5 FFBDHN COc1cc(C(=O)O[C@@H](C)CN2CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000845669461 998628647 /nfs/dbraw/zinc/62/86/47/998628647.db2.gz JKDKXWXZUCUTDM-JTQLQIEISA-N 0 3 374.340 2.846 20 5 FFBDHN Cc1ccc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c(CN(C)C)c1 ZINC000733782381 999071076 /nfs/dbraw/zinc/07/10/76/999071076.db2.gz UJDHZMUHMBFKNW-UHFFFAOYSA-N 0 3 367.409 2.953 20 5 FFBDHN C[C@@H]1CCCN1CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000742241816 999765896 /nfs/dbraw/zinc/76/58/96/999765896.db2.gz XKIOTIQFGTXVPJ-MRXNPFEDSA-N 0 3 363.461 2.755 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1Cc1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001206112262 1032147705 /nfs/dbraw/zinc/14/77/05/1032147705.db2.gz BDZSBQNAFCQLJM-UHFFFAOYSA-N 0 3 351.366 2.585 20 5 FFBDHN CCc1nn(C)c(NC2CCN(Cc3cccc(OC)c3)CC2)c1[N+](=O)[O-] ZINC000769862335 1000613943 /nfs/dbraw/zinc/61/39/43/1000613943.db2.gz UJANHCOFDMMMSH-UHFFFAOYSA-N 0 3 373.457 2.976 20 5 FFBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(CO)(Cc3ccccc3)CC2)cc1 ZINC000769992646 1000650262 /nfs/dbraw/zinc/65/02/62/1000650262.db2.gz XIORXUAGUNTZLG-HXUWFJFHSA-N 0 3 370.449 2.945 20 5 FFBDHN Cc1cc(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)c(N)c([N+](=O)[O-])c1 ZINC000771598400 1001154348 /nfs/dbraw/zinc/15/43/48/1001154348.db2.gz XSDLIICZCRORQV-ACJLOTCBSA-N 0 3 356.426 2.907 20 5 FFBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000786821102 1001632817 /nfs/dbraw/zinc/63/28/17/1001632817.db2.gz YIIUXHYSDUTOCI-HIFRSBDPSA-N 0 3 354.410 2.742 20 5 FFBDHN CN(C)c1cc(F)c(C(=O)NC[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000791295986 1002637321 /nfs/dbraw/zinc/63/73/21/1002637321.db2.gz BAOLKMVBIMYERE-GOSISDBHSA-N 0 3 374.416 2.833 20 5 FFBDHN COc1ccc(C[C@@](C)(CO)NCc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC001198219464 1004531847 /nfs/dbraw/zinc/53/18/47/1004531847.db2.gz OMBLHXPXWHYHHU-IBGZPJMESA-N 0 3 360.410 2.695 20 5 FFBDHN CC(C)[C@H](C)NC(=O)C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776580945 1005961204 /nfs/dbraw/zinc/96/12/04/1005961204.db2.gz AIIODEDASDBEMY-KBXCAEBGSA-N 0 3 363.458 2.501 20 5 FFBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(c3nnc4ccccn43)CC2)cc1 ZINC000776581914 1005963064 /nfs/dbraw/zinc/96/30/64/1005963064.db2.gz IYINWVKVYXPLGH-QGZVFWFLSA-N 0 3 367.409 2.551 20 5 FFBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@H](c2ccncc2)C2(CO)CCC2)c1 ZINC000853134836 1006309978 /nfs/dbraw/zinc/30/99/78/1006309978.db2.gz YEINRCXDTBJRON-ZWKOTPCHSA-N 0 3 357.410 2.517 20 5 FFBDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2cc([N+](=O)[O-])ccc2F)cc1 ZINC000854398233 1006814310 /nfs/dbraw/zinc/81/43/10/1006814310.db2.gz VAIDUQGVJWPXLD-QGZVFWFLSA-N 0 3 361.373 2.775 20 5 FFBDHN COc1cc2c(cc1CNC[C@H](O)c1cccc([N+](=O)[O-])c1)O[C@H](C)C2 ZINC000819183419 1008060328 /nfs/dbraw/zinc/06/03/28/1008060328.db2.gz WPIKAUPHZHLRAE-PXAZEXFGSA-N 0 3 358.394 2.750 20 5 FFBDHN CC(=O)N1CC[C@@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000819192465 1008063027 /nfs/dbraw/zinc/06/30/27/1008063027.db2.gz YQPKEXMSTYFWBD-MJGOQNOKSA-N 0 3 355.394 2.716 20 5 FFBDHN O=C1[C@@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCN1C1CCCCC1 ZINC000819254862 1008071671 /nfs/dbraw/zinc/07/16/71/1008071671.db2.gz TZMRERJTJRIEJX-ROUUACIJSA-N 0 3 361.442 2.542 20 5 FFBDHN CCOc1cc(N2CCN(C[C@H]3C[C@@]34CCOC4)CC2)ccc1[N+](=O)[O-] ZINC000886181382 1008599528 /nfs/dbraw/zinc/59/95/28/1008599528.db2.gz KNPQAJGWPZSXOH-DNVCBOLYSA-N 0 3 361.442 2.542 20 5 FFBDHN Cc1cc(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c(N)c([N+](=O)[O-])c1 ZINC000137513005 1008616219 /nfs/dbraw/zinc/61/62/19/1008616219.db2.gz LBFADFHJRCWQJZ-ZBFHGGJFSA-N 0 3 368.437 2.878 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886617310 1008774653 /nfs/dbraw/zinc/77/46/53/1008774653.db2.gz KIWVXEGMVAUAQL-ZENOOKHLSA-N 0 3 374.359 2.999 20 5 FFBDHN C[C@H](N[C@H]1CCc2ccccc2OC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000509519025 1009528979 /nfs/dbraw/zinc/52/89/79/1009528979.db2.gz ZIRCGTYNXWGMJW-BBRMVZONSA-N 0 3 355.394 2.905 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N(C)c2nc(CN)ccc2C)c1F ZINC001173174799 1012319251 /nfs/dbraw/zinc/31/92/51/1012319251.db2.gz CEDHMGWEFBFFJO-GFCCVEGCSA-N 0 3 362.405 2.972 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCN(C3CCC3)CC2)c1F ZINC001173181337 1012323575 /nfs/dbraw/zinc/32/35/75/1012323575.db2.gz OSQVSDFBTKQASM-CYBMUJFWSA-N 0 3 351.422 2.844 20 5 FFBDHN Nc1ccc2c(c1)CN([C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)CCO2 ZINC000925755797 1017840158 /nfs/dbraw/zinc/84/01/58/1017840158.db2.gz YMVREPUAXFRCSZ-HOTGVXAUSA-N 0 3 357.414 2.752 20 5 FFBDHN COc1cc([C@H](C)NC[C@@]2(c3cnn(C)c3)CCCO2)cc([N+](=O)[O-])c1 ZINC000903359892 1020803967 /nfs/dbraw/zinc/80/39/67/1020803967.db2.gz UCJFHJABBLCRJE-SCLBCKFNSA-N 0 3 360.414 2.693 20 5 FFBDHN CN(C)CCN(Cc1ccco1)C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000934490976 1021258854 /nfs/dbraw/zinc/25/88/54/1021258854.db2.gz BZBYNJCDAGWOJW-QZTJIDSGSA-N 0 3 357.410 2.882 20 5 FFBDHN O=C(CN1CCCC[C@H]([C@@H]2CCOC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000934841626 1021426555 /nfs/dbraw/zinc/42/65/55/1021426555.db2.gz NBCALIFUCPDXJQ-DLBZAZTESA-N 0 3 373.453 2.623 20 5 FFBDHN Cn1cc([N+](=O)[O-])c(C(=O)OC[C@@]2(C)CCCCN2Cc2ccccc2)n1 ZINC000755908027 1023649133 /nfs/dbraw/zinc/64/91/33/1023649133.db2.gz FYGISANWOUFCNG-LJQANCHMSA-N 0 3 372.425 2.930 20 5 FFBDHN O=[N+]([O-])c1cc(F)cc(Br)c1O[C@H]1CNCCC1(F)F ZINC001218452686 1033162495 /nfs/dbraw/zinc/16/24/95/1033162495.db2.gz DGFVUJZTVDITMY-VIFPVBQESA-N 0 3 355.110 2.872 20 5 FFBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000757511888 1023825409 /nfs/dbraw/zinc/82/54/09/1023825409.db2.gz TVQXUWJHGBDUGR-VEGGFIAOSA-N 0 3 351.406 2.999 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000757790937 1023860174 /nfs/dbraw/zinc/86/01/74/1023860174.db2.gz SVCVSRODCJIYGX-ZANVPECISA-N 0 3 370.356 2.800 20 5 FFBDHN CCC(=O)c1ccc(N2CCN(c3ccncc3OC)CC2)c([N+](=O)[O-])c1 ZINC000795286549 1025446503 /nfs/dbraw/zinc/44/65/03/1025446503.db2.gz BLVIQEKIOPMXPV-UHFFFAOYSA-N 0 3 370.409 2.918 20 5 FFBDHN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000249943417 1028406366 /nfs/dbraw/zinc/40/63/66/1028406366.db2.gz XHWFCKSHZXPAKH-NEPJUHHUSA-N 0 3 364.402 2.662 20 5 FFBDHN O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCO[C@H](CN2CCCC2)C1 ZINC001158309053 1029794042 /nfs/dbraw/zinc/79/40/42/1029794042.db2.gz AGGIOEXTIZWLSW-SNVBAGLBSA-N 0 3 361.229 2.598 20 5 FFBDHN CN1Cc2cc(NCC3CN(Cc4ccccc4)C3)cc([N+](=O)[O-])c2N1 ZINC001165486744 1029999494 /nfs/dbraw/zinc/99/94/94/1029999494.db2.gz SZJBFEHZJPWCLN-UHFFFAOYSA-N 0 3 353.426 2.911 20 5 FFBDHN Cc1c(Cl)cccc1CN[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001203582977 1030771767 /nfs/dbraw/zinc/77/17/67/1030771767.db2.gz MTMOYJAPJGXCBG-IAGOWNOFSA-N 0 3 350.802 2.741 20 5 FFBDHN CC(C)c1ccc(C[NH2+][C@@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1[N+](=O)[O-] ZINC001203952915 1031007688 /nfs/dbraw/zinc/00/76/88/1031007688.db2.gz CLUBMCBAJCVZIQ-CQSZACIVSA-N 0 3 357.414 2.582 20 5 FFBDHN Nc1c(Cl)cc(C(=O)NC[C@H]2CCN2C2CCCC2)cc1[N+](=O)[O-] ZINC001150780201 1031783038 /nfs/dbraw/zinc/78/30/38/1031783038.db2.gz BIELIBQOGYBYJP-GFCCVEGCSA-N 0 3 352.822 2.577 20 5 FFBDHN CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)CCN1 ZINC000831598606 1034147890 /nfs/dbraw/zinc/14/78/90/1034147890.db2.gz AJZUMRILGLIUKH-GOSISDBHSA-N 0 3 374.485 2.901 20 5 FFBDHN COC(=O)c1cc(OC)c(O[C@H]2CCCN(C(C)C)C2)cc1[N+](=O)[O-] ZINC001226433744 1034683172 /nfs/dbraw/zinc/68/31/72/1034683172.db2.gz JSIOHQNDNAVJGA-LBPRGKRZSA-N 0 3 352.387 2.642 20 5 FFBDHN O=C(Nc1ncc([N+](=O)[O-])s1)c1ccccc1O[C@@H]1CN2CCC1CC2 ZINC001227515813 1035593340 /nfs/dbraw/zinc/59/33/40/1035593340.db2.gz OKTJIYDPCQLTLW-CQSZACIVSA-N 0 3 374.422 2.777 20 5 FFBDHN CN1CCC(Oc2ccc(I)cc2[N+](=O)[O-])CC1 ZINC001229941224 1036991627 /nfs/dbraw/zinc/99/16/27/1036991627.db2.gz PKRKWJFCQAUNBQ-UHFFFAOYSA-N 0 3 362.167 2.672 20 5 FFBDHN CCOc1cc(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ncn1 ZINC001254470021 1040737497 /nfs/dbraw/zinc/73/74/97/1040737497.db2.gz FSOOVCDNNUKTSG-UHFFFAOYSA-N 0 3 357.414 2.542 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCC(N3CCC(O)(C(F)(F)F)CC3)CC2)cc1 ZINC001254473967 1040739066 /nfs/dbraw/zinc/73/90/66/1040739066.db2.gz KDVBPKKRJXEOLV-UHFFFAOYSA-N 0 3 373.375 2.953 20 5 FFBDHN CC(C)(C)OC(=O)N1CC(F)(CN[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254566299 1040803682 /nfs/dbraw/zinc/80/36/82/1040803682.db2.gz JICFXHDACATYRT-CQSZACIVSA-N 0 3 365.405 2.611 20 5 FFBDHN COc1ccnc(O[C@H]2CCN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)c1 ZINC001254610263 1040838720 /nfs/dbraw/zinc/83/87/20/1040838720.db2.gz ISFVKYTZZQJOTJ-WMZOPIPTSA-N 0 3 355.394 2.619 20 5 FFBDHN Cc1ccnc(O[C@H]2CCCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)n1 ZINC001254610861 1040838885 /nfs/dbraw/zinc/83/88/85/1040838885.db2.gz MMJYSWPXUFCDSQ-MSOLQXFVSA-N 0 3 354.410 2.704 20 5 FFBDHN Cc1ccnc(O[C@@H]2CCCN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)n1 ZINC001254610868 1040839195 /nfs/dbraw/zinc/83/91/95/1040839195.db2.gz MMJYSWPXUFCDSQ-ZWKOTPCHSA-N 0 3 354.410 2.704 20 5 FFBDHN Cc1cncnc1O[C@H]1CCCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612414 1040841147 /nfs/dbraw/zinc/84/11/47/1040841147.db2.gz WEDBVAWMABQSAQ-MSOLQXFVSA-N 0 3 354.410 2.704 20 5 FFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCCN1C ZINC001539396563 1070629560 /nfs/dbraw/zinc/62/95/60/1070629560.db2.gz NCXMVNNEUOGGGJ-LLVKDONJSA-N 0 3 370.247 2.880 20 5 FFBDHN Cc1ccc(NC(=O)[C@@]2(O)CCCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001540600345 1070944768 /nfs/dbraw/zinc/94/47/68/1070944768.db2.gz IWVLLBHILKNKOQ-HXUWFJFHSA-N 0 3 369.421 2.869 20 5 FFBDHN O=C(c1cccc2c1OCCNC2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001340950174 1051282244 /nfs/dbraw/zinc/28/22/44/1051282244.db2.gz AZCXERWDPQLHRO-UHFFFAOYSA-N 0 3 367.405 2.882 20 5 FFBDHN O=C(c1csc([N+](=O)[O-])c1)N1C[C@@H](C[C@H]2COCCN2)c2ccccc21 ZINC001342758916 1051375252 /nfs/dbraw/zinc/37/52/52/1051375252.db2.gz SUPZEBQRSFFYGJ-OCCSQVGLSA-N 0 3 373.434 2.779 20 5 FFBDHN C[C@H]1CN[C@@H](C)[C@H](C)N1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001341145769 1051495945 /nfs/dbraw/zinc/49/59/45/1051495945.db2.gz RJLSLRGSABQCSK-SRVKXCTJSA-N 0 3 360.439 2.929 20 5 FFBDHN CN(CCN1CCN(c2c(F)cccc2[N+](=O)[O-])CC1)Cc1ccccc1 ZINC001306958512 1052228493 /nfs/dbraw/zinc/22/84/93/1052228493.db2.gz BFGPAEXVCBIXOS-UHFFFAOYSA-N 0 3 372.444 2.988 20 5 FFBDHN CCN1CCN(c2cccc(Nc3c(Cl)cncc3[N+](=O)[O-])c2)CC1 ZINC001307103094 1052251605 /nfs/dbraw/zinc/25/16/05/1052251605.db2.gz HTMMDCKXSSIAGR-UHFFFAOYSA-N 0 3 361.833 2.951 20 5 FFBDHN C[C@@H](NCCOCCNC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001308069070 1052398457 /nfs/dbraw/zinc/39/84/57/1052398457.db2.gz AAVZCFQYXOZKLN-CYBMUJFWSA-N 0 3 353.419 2.787 20 5 FFBDHN COc1cc(C[NH2+]C[C@@H](C)CNC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1[O-] ZINC001308341694 1052448058 /nfs/dbraw/zinc/44/80/58/1052448058.db2.gz DRCDMQITIJKGHH-LLVKDONJSA-N 0 3 369.418 2.559 20 5 FFBDHN COc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001345745512 1052597966 /nfs/dbraw/zinc/59/79/66/1052597966.db2.gz LDGKRACACROXLV-OAHLLOKOSA-N 0 3 370.409 2.999 20 5 FFBDHN Cc1cc2ncn(C[C@H](O)CNCc3ccccc3[N+](=O)[O-])c2cc1C ZINC001336697928 1054146827 /nfs/dbraw/zinc/14/68/27/1054146827.db2.gz CBFPZIMTWYSPSD-MRXNPFEDSA-N 0 3 354.410 2.712 20 5 FFBDHN Cc1ccc(CNC2(C(=O)N3CCOCC3)CCCCC2)cc1[N+](=O)[O-] ZINC001460939501 1061156544 /nfs/dbraw/zinc/15/65/44/1061156544.db2.gz QQHUWFXMGSPZBB-UHFFFAOYSA-N 0 3 361.442 2.555 20 5 FFBDHN COc1cc(CNC[C@H](C)Oc2ccccc2OC)c([N+](=O)[O-])cc1O ZINC001461253297 1061267245 /nfs/dbraw/zinc/26/72/45/1061267245.db2.gz DQDFYCIGHCKAJV-LBPRGKRZSA-N 0 3 362.382 2.875 20 5 FFBDHN CCN1CCN(c2cccc(NC(=O)c3cc([N+](=O)[O-])cc(C)n3)c2)CC1 ZINC001435975964 1062607315 /nfs/dbraw/zinc/60/73/15/1062607315.db2.gz OALDZLIHQNVVLZ-UHFFFAOYSA-N 0 3 369.425 2.692 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC001475069535 1065692887 /nfs/dbraw/zinc/69/28/87/1065692887.db2.gz UZSCTYDXKLLIME-VNHYZAJKSA-N 0 3 369.487 2.548 20 5 FFBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@@H+]2C2CCCCCC2)c(-c2nnn[n-]2)c1 ZINC001582804391 1079109812 /nfs/dbraw/zinc/10/98/12/1079109812.db2.gz RSIGOQGUARNNSC-HNNXBMFYSA-N 0 3 371.445 2.984 20 5 FFBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@H+]2C2CCCCCC2)c(-c2nnn[n-]2)c1 ZINC001582804391 1079109815 /nfs/dbraw/zinc/10/98/15/1079109815.db2.gz RSIGOQGUARNNSC-HNNXBMFYSA-N 0 3 371.445 2.984 20 5 FFBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@@H+]2C2CCCCCC2)c(-c2nn[n-]n2)c1 ZINC001582804391 1079109817 /nfs/dbraw/zinc/10/98/17/1079109817.db2.gz RSIGOQGUARNNSC-HNNXBMFYSA-N 0 3 371.445 2.984 20 5 FFBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@H+]2C2CCCCCC2)c(-c2nn[n-]n2)c1 ZINC001582804391 1079109820 /nfs/dbraw/zinc/10/98/20/1079109820.db2.gz RSIGOQGUARNNSC-HNNXBMFYSA-N 0 3 371.445 2.984 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001582804626 1079110163 /nfs/dbraw/zinc/11/01/63/1079110163.db2.gz WYYSJRMGFWMLDO-AWEZNQCLSA-N 0 3 357.418 2.594 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001582804626 1079110166 /nfs/dbraw/zinc/11/01/66/1079110166.db2.gz WYYSJRMGFWMLDO-AWEZNQCLSA-N 0 3 357.418 2.594 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001582804626 1079110171 /nfs/dbraw/zinc/11/01/71/1079110171.db2.gz WYYSJRMGFWMLDO-AWEZNQCLSA-N 0 3 357.418 2.594 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001582804626 1079110176 /nfs/dbraw/zinc/11/01/76/1079110176.db2.gz WYYSJRMGFWMLDO-AWEZNQCLSA-N 0 3 357.418 2.594 20 5 FFBDHN C[C@]12CCCC[C@H]1CN2CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001560046929 1076217222 /nfs/dbraw/zinc/21/72/22/1076217222.db2.gz KFHLQUZAEZFLAK-JXFKEZNVSA-N 0 3 372.469 2.508 20 5 FFBDHN COC(=O)COc1ccc(CNCc2cccc3[nH]ccc32)cc1[N+](=O)[O-] ZINC001560567593 1076280861 /nfs/dbraw/zinc/28/08/61/1076280861.db2.gz LHBXLGAGNGGSMX-UHFFFAOYSA-N 0 3 369.377 2.918 20 5 FFBDHN CCCN(CCN(CC)CC)S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001561455095 1076378407 /nfs/dbraw/zinc/37/84/07/1076378407.db2.gz OGSOVUWAQCVUTR-UHFFFAOYSA-N 0 3 363.505 2.707 20 5 FFBDHN C[C@]1(c2ccccc2)CC[N@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590153612 1081055139 /nfs/dbraw/zinc/05/51/39/1081055139.db2.gz MNVYZQYJRIYJMW-IBGZPJMESA-N 0 3 364.409 2.939 20 5 FFBDHN C[C@]1(c2ccccc2)CC[N@@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590153612 1081055149 /nfs/dbraw/zinc/05/51/49/1081055149.db2.gz MNVYZQYJRIYJMW-IBGZPJMESA-N 0 3 364.409 2.939 20 5 FFBDHN C[C@]1(c2ccccc2)CC[N@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001590153612 1081055157 /nfs/dbraw/zinc/05/51/57/1081055157.db2.gz MNVYZQYJRIYJMW-IBGZPJMESA-N 0 3 364.409 2.939 20 5 FFBDHN C[C@]1(c2ccccc2)CC[N@@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001590153612 1081055164 /nfs/dbraw/zinc/05/51/64/1081055164.db2.gz MNVYZQYJRIYJMW-IBGZPJMESA-N 0 3 364.409 2.939 20 5 FFBDHN C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590226596 1081106911 /nfs/dbraw/zinc/10/69/11/1081106911.db2.gz DMHWNHPAEUULGD-GUTXKFCHSA-N 0 3 371.445 2.617 20 5 FFBDHN C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590226596 1081106914 /nfs/dbraw/zinc/10/69/14/1081106914.db2.gz DMHWNHPAEUULGD-GUTXKFCHSA-N 0 3 371.445 2.617 20 5 FFBDHN C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590226596 1081106920 /nfs/dbraw/zinc/10/69/20/1081106920.db2.gz DMHWNHPAEUULGD-GUTXKFCHSA-N 0 3 371.445 2.617 20 5 FFBDHN C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590226596 1081106923 /nfs/dbraw/zinc/10/69/23/1081106923.db2.gz DMHWNHPAEUULGD-GUTXKFCHSA-N 0 3 371.445 2.617 20 5 FFBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000195130907 222621577 /nfs/dbraw/zinc/62/15/77/222621577.db2.gz LNBCPMMUZPTBAU-UHFFFAOYSA-N 0 3 354.410 2.571 20 5 FFBDHN COc1cc(CNC[C@]2(C)CCO[C@H]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000372983358 512117418 /nfs/dbraw/zinc/11/74/18/512117418.db2.gz URYXVSQFEUIZDA-ROUUACIJSA-N 0 3 350.415 2.907 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)NC2CCN(C3CC3)CC2)cc1SC ZINC000103065930 250132719 /nfs/dbraw/zinc/13/27/19/250132719.db2.gz BBLYGYFYZLGJRR-UHFFFAOYSA-N 0 3 365.455 2.682 20 5 FFBDHN CN(C)[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000105327889 250210014 /nfs/dbraw/zinc/21/00/14/250210014.db2.gz WLNAFGVNSSLCKC-CQSZACIVSA-N 0 3 360.439 2.885 20 5 FFBDHN C[C@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C1=CCN(C)CC1 ZINC000272704860 252108721 /nfs/dbraw/zinc/10/87/21/252108721.db2.gz GJDYNASACHZWMK-NSHDSACASA-N 0 3 352.822 2.698 20 5 FFBDHN C[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000272926881 252166507 /nfs/dbraw/zinc/16/65/07/252166507.db2.gz KSRFHBGAOMAEBW-GFCCVEGCSA-N 0 3 367.833 2.784 20 5 FFBDHN COC[C@H](NCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000273423181 252303020 /nfs/dbraw/zinc/30/30/20/252303020.db2.gz SHFKJDSATUHPIA-LBPRGKRZSA-N 0 3 360.357 2.762 20 5 FFBDHN O=[N+]([O-])c1cc2ccccc2nc1N1CCN(CC2CCOCC2)CC1 ZINC000276684054 256121773 /nfs/dbraw/zinc/12/17/73/256121773.db2.gz VJAQXMNSSONUOZ-UHFFFAOYSA-N 0 3 356.426 2.692 20 5 FFBDHN C[C@@H]1CN(CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000277185201 256170058 /nfs/dbraw/zinc/17/00/58/256170058.db2.gz HOEHUWRJMCMTFI-GFCCVEGCSA-N 0 3 370.837 2.871 20 5 FFBDHN CCNC(=O)C1(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CCC1 ZINC000277403359 256194247 /nfs/dbraw/zinc/19/42/47/256194247.db2.gz KXVBHWSTTUSIJB-UHFFFAOYSA-N 0 3 357.357 2.592 20 5 FFBDHN CN(C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)c1 ZINC000279261356 256399196 /nfs/dbraw/zinc/39/91/96/256399196.db2.gz UALNGOQTLFPZQV-UHFFFAOYSA-N 0 3 374.416 2.792 20 5 FFBDHN Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H](N3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000288355672 257179230 /nfs/dbraw/zinc/17/92/30/257179230.db2.gz WIUIJOAFPPHACD-OCCSQVGLSA-N 0 3 362.386 2.510 20 5 FFBDHN CC[C@@H](NC[C@](C)(O)CNC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000289300701 257272910 /nfs/dbraw/zinc/27/29/10/257272910.db2.gz BMMFPMACRILUME-QAPCUYQASA-N 0 3 367.446 2.911 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H](c3ccncc3)C2)c1 ZINC000289358052 257276605 /nfs/dbraw/zinc/27/66/05/257276605.db2.gz NVOMIBKVQJTHOR-SJLPKXTDSA-N 0 3 357.410 2.609 20 5 FFBDHN COc1ccc(NC(=O)CCN2CCC(F)(F)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000289368234 257277292 /nfs/dbraw/zinc/27/72/92/257277292.db2.gz AZEOLWDTGFUMKQ-LLVKDONJSA-N 0 3 357.357 2.909 20 5 FFBDHN CN1CCN(CCCNc2ncccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000301093973 258024502 /nfs/dbraw/zinc/02/45/02/258024502.db2.gz NFBASQOVWGZHCP-GOSISDBHSA-N 0 3 355.442 2.781 20 5 FFBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C)N1CCc2ccccc2C1 ZINC000301107927 258026330 /nfs/dbraw/zinc/02/63/30/258026330.db2.gz MWCXGJRYGIEQBZ-CQSZACIVSA-N 0 3 368.437 2.813 20 5 FFBDHN COC[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000299728910 258021526 /nfs/dbraw/zinc/02/15/26/258021526.db2.gz VZKDCTQAQYCBBK-KRWDZBQOSA-N 0 3 373.409 2.909 20 5 FFBDHN CN(C)CC1(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CCCC1 ZINC000302150401 258091032 /nfs/dbraw/zinc/09/10/32/258091032.db2.gz JYLFFCXYKCWQLW-UHFFFAOYSA-N 0 3 361.489 2.594 20 5 FFBDHN Cc1cc(N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000302431317 258102115 /nfs/dbraw/zinc/10/21/15/258102115.db2.gz LFRSWXXMLZNRHW-FQEVSTJZSA-N 0 3 355.438 2.976 20 5 FFBDHN O=[N+]([O-])c1cnc(N2CC[C@@H](OCCN3CCCCC3)C2)c(Cl)c1 ZINC000301734757 258065304 /nfs/dbraw/zinc/06/53/04/258065304.db2.gz GPOHOAYVWKHBTJ-CQSZACIVSA-N 0 3 354.838 2.724 20 5 FFBDHN CC(C)c1ccc(CN[C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000331023911 258175254 /nfs/dbraw/zinc/17/52/54/258175254.db2.gz RWHWGGNYOGLGIZ-JKSUJKDBSA-N 0 3 369.487 2.668 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000377213101 512168897 /nfs/dbraw/zinc/16/88/97/512168897.db2.gz FVVXUWWWXODCHV-IBGZPJMESA-N 0 3 353.378 2.699 20 5 FFBDHN COc1cc(C[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)c([N+](=O)[O-])cc1[O-] ZINC000377246400 512183906 /nfs/dbraw/zinc/18/39/06/512183906.db2.gz TXGMBFGGTVVHRJ-CQSZACIVSA-N 0 3 360.414 2.734 20 5 FFBDHN Cc1c(NC(=O)N2C[C@@H](C)NC[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000415647245 513361135 /nfs/dbraw/zinc/36/11/35/513361135.db2.gz AKDNFIPNOJTKQS-BDAKNGLRSA-N 0 3 371.235 2.880 20 5 FFBDHN CN(C)CCOc1cccc(CNC(=O)NCc2cccc([N+](=O)[O-])c2)c1 ZINC000067536260 506914098 /nfs/dbraw/zinc/91/40/98/506914098.db2.gz FTAXLRBLDKDQQP-UHFFFAOYSA-N 0 3 372.425 2.535 20 5 FFBDHN O=C(CNc1ccccc1[N+](=O)[O-])NCCCN1CCc2ccccc2C1 ZINC000067709226 506985637 /nfs/dbraw/zinc/98/56/37/506985637.db2.gz ZGQYUPYUQNTWBL-UHFFFAOYSA-N 0 3 368.437 2.571 20 5 FFBDHN CSc1ccc(C(=O)N2CCN(c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000023913814 507379701 /nfs/dbraw/zinc/37/97/01/507379701.db2.gz UGUVKRSMJKMAEX-UHFFFAOYSA-N 0 3 358.423 2.674 20 5 FFBDHN CC(C)N1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000069084088 507401556 /nfs/dbraw/zinc/40/15/56/507401556.db2.gz ZIQDMTXIWVNEQK-UHFFFAOYSA-N 0 3 354.838 2.603 20 5 FFBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccc2c(c1)OCO2 ZINC000026257820 507573120 /nfs/dbraw/zinc/57/31/20/507573120.db2.gz CQQVNKQACFGRAU-UHFFFAOYSA-N 0 3 357.366 2.784 20 5 FFBDHN O=C(CN1CCN(CC2CCCCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000049981767 507650068 /nfs/dbraw/zinc/65/00/68/507650068.db2.gz UCBLJHXQLMRQPM-UHFFFAOYSA-N 0 3 360.458 2.731 20 5 FFBDHN Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@H](C)N2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000052160059 507799663 /nfs/dbraw/zinc/79/96/63/507799663.db2.gz SMDAVRFULWOKMB-NWDGAFQWSA-N 0 3 366.418 2.836 20 5 FFBDHN C[C@@H]1C[C@H](C)CN(CCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000052305822 507805982 /nfs/dbraw/zinc/80/59/82/507805982.db2.gz SFPCRGXIYKTGND-OKILXGFUSA-N 0 3 369.487 2.778 20 5 FFBDHN CC(C)[C@@H](CNc1ccc([N+](=O)[O-])c2cccnc12)N1CCN(C)CC1 ZINC000078886507 507914849 /nfs/dbraw/zinc/91/48/49/507914849.db2.gz HCKGNVVPAKUCNE-GOSISDBHSA-N 0 3 357.458 2.827 20 5 FFBDHN NC(=O)c1ccc(NCCCN2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000073587839 507935062 /nfs/dbraw/zinc/93/50/62/507935062.db2.gz BOTKZOINYBBPTB-UHFFFAOYSA-N 0 3 354.410 2.554 20 5 FFBDHN CCCCN1CCCC[C@@H]1CNC(=O)c1[nH]nc(CCC)c1[N+](=O)[O-] ZINC000109621296 507971851 /nfs/dbraw/zinc/97/18/51/507971851.db2.gz SEDAQSDDNMSACT-CYBMUJFWSA-N 0 3 351.451 2.655 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CCN1Cc1ccccc1 ZINC000079945118 508017517 /nfs/dbraw/zinc/01/75/17/508017517.db2.gz NHQZZPYMXFUOGZ-HOCLYGCPSA-N 0 3 368.437 2.960 20 5 FFBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C)N(C)Cc1ccccc1 ZINC000110594729 508036101 /nfs/dbraw/zinc/03/61/01/508036101.db2.gz VCOIMBDDVOKJOO-CQSZACIVSA-N 0 3 356.426 2.887 20 5 FFBDHN Cc1cc(N2CCN([C@@H]3CCCN(C)C3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000080640980 508090655 /nfs/dbraw/zinc/09/06/55/508090655.db2.gz GUILHMVEYBYWKX-CQSZACIVSA-N 0 3 352.866 2.773 20 5 FFBDHN CN(C(=O)CN1CCN(C)CC12CCCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000081597717 508195376 /nfs/dbraw/zinc/19/53/76/508195376.db2.gz IFBOQMBIRBLETC-UHFFFAOYSA-N 0 3 360.458 2.508 20 5 FFBDHN C[C@@H](NC1(CNC(=O)c2ccc([N+](=O)[O-])o2)CCOCC1)c1ccccc1 ZINC000113236981 508253714 /nfs/dbraw/zinc/25/37/14/508253714.db2.gz HQALXRZZEFJVNE-CQSZACIVSA-N 0 3 373.409 2.818 20 5 FFBDHN CN(C)CCn1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000102435825 508274763 /nfs/dbraw/zinc/27/47/63/508274763.db2.gz XJXLGSCYMIHZFM-UHFFFAOYSA-N 0 3 352.782 2.650 20 5 FFBDHN CCOc1ccc([C@@H](C)NC[C@H](C)N2CCN(CC)CC2)cc1[N+](=O)[O-] ZINC000152908673 508530306 /nfs/dbraw/zinc/53/03/06/508530306.db2.gz WAMAQRXXSDLIOY-JKSUJKDBSA-N 0 3 364.490 2.670 20 5 FFBDHN CN(C)[C@@H]1CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116746900 508554168 /nfs/dbraw/zinc/55/41/68/508554168.db2.gz HEUKDUWGYCRNBF-CYBMUJFWSA-N 0 3 355.822 2.570 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000134873679 508571446 /nfs/dbraw/zinc/57/14/46/508571446.db2.gz ZHNLQPAYZDKSIC-BEFAXECRSA-N 0 3 372.469 2.790 20 5 FFBDHN C[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H](C)C1 ZINC000153517425 508591408 /nfs/dbraw/zinc/59/14/08/508591408.db2.gz YIGWJUILVHYUKZ-KBPBESRZSA-N 0 3 358.442 2.855 20 5 FFBDHN CC(C)CO[C@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128903018 508657745 /nfs/dbraw/zinc/65/77/45/508657745.db2.gz AZRXBZWYKMQIJU-AWEZNQCLSA-N 0 3 353.394 2.809 20 5 FFBDHN COc1ccc(OCCCN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000118866017 508687264 /nfs/dbraw/zinc/68/72/64/508687264.db2.gz NYERRJDHMDISIL-OAHLLOKOSA-N 0 3 372.425 2.954 20 5 FFBDHN COc1ccc(OCCN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000118866841 508689051 /nfs/dbraw/zinc/68/90/51/508689051.db2.gz UQSCORGZDRERIG-AWEZNQCLSA-N 0 3 358.398 2.564 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CN1Cc1ccccc1 ZINC000137495436 508758059 /nfs/dbraw/zinc/75/80/59/508758059.db2.gz MRNWPIYBWQNBGX-ZFWWWQNUSA-N 0 3 354.410 2.570 20 5 FFBDHN CN(CCCN1CCN(C)CC1)c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000124332530 508816414 /nfs/dbraw/zinc/81/64/14/508816414.db2.gz UWDLJTQKTXGHTM-UHFFFAOYSA-N 0 3 361.273 2.975 20 5 FFBDHN Cc1ccccc1[C@H](C)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000159646412 508870571 /nfs/dbraw/zinc/87/05/71/508870571.db2.gz GORNCKDTPADOPA-AWEZNQCLSA-N 0 3 363.439 2.532 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000119970698 508900737 /nfs/dbraw/zinc/90/07/37/508900737.db2.gz LAKNBZFUOFWMNE-BEFAXECRSA-N 0 3 353.422 2.774 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCN(c2ccncc2)CC1 ZINC000120141307 508937159 /nfs/dbraw/zinc/93/71/59/508937159.db2.gz GACXJYNXQHPHLU-UHFFFAOYSA-N 0 3 355.398 2.961 20 5 FFBDHN CN(C)C[C@H]1CN(Cc2cc(=O)oc3ccc4ccccc4c23)CCO1 ZINC000155271593 508963350 /nfs/dbraw/zinc/96/33/50/508963350.db2.gz SJTXAYNFSRFDPS-KRWDZBQOSA-N 0 3 352.434 2.709 20 5 FFBDHN C[C@@H](Nc1ccc(C(=O)N2CCCNCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000160820909 509037236 /nfs/dbraw/zinc/03/72/36/509037236.db2.gz KIEGIWMHLQVLGV-CQSZACIVSA-N 0 3 369.425 2.598 20 5 FFBDHN CNC(=O)c1ccc(N(CCN(C)C)Cc2ccccc2F)c([N+](=O)[O-])c1 ZINC000161970683 509166988 /nfs/dbraw/zinc/16/69/88/509166988.db2.gz RKPRGNHBBDYMME-UHFFFAOYSA-N 0 3 374.416 2.662 20 5 FFBDHN Cc1c(Br)cc(C(=O)NC[C@H](C)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000121556973 509178401 /nfs/dbraw/zinc/17/84/01/509178401.db2.gz OEKQMRIIVHWUHL-VIFPVBQESA-N 0 3 370.247 2.878 20 5 FFBDHN Cc1c(Br)cc(C(=O)NC[C@@H](C)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000121556789 509178450 /nfs/dbraw/zinc/17/84/50/509178450.db2.gz OEKQMRIIVHWUHL-SECBINFHSA-N 0 3 370.247 2.878 20 5 FFBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192021915 509301627 /nfs/dbraw/zinc/30/16/27/509301627.db2.gz WSHBVFHPSTZQQF-WBVHZDCISA-N 0 3 363.801 2.530 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H](Nc2ccccc2)C1 ZINC000248454442 509329012 /nfs/dbraw/zinc/32/90/12/509329012.db2.gz KKHSEBDEYDQSSC-QZTJIDSGSA-N 0 3 371.437 2.911 20 5 FFBDHN COc1cc(CNC2(CO)CCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000182648547 509351373 /nfs/dbraw/zinc/35/13/73/509351373.db2.gz TYAJGPVOQRFUAF-UHFFFAOYSA-N 0 3 360.357 2.642 20 5 FFBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NC2CCN(C3CCCCC3)CC2)c1 ZINC000185889096 509410029 /nfs/dbraw/zinc/41/00/29/509410029.db2.gz ZGOAWQDMUJXRSL-UHFFFAOYSA-N 0 3 367.471 2.670 20 5 FFBDHN CCCc1n[nH]c(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000248719030 509451708 /nfs/dbraw/zinc/45/17/08/509451708.db2.gz CDVJBGKBCXQYCM-CJNGLKHVSA-N 0 3 371.441 2.521 20 5 FFBDHN O=C(NCC1(N2CCCC2)CCOCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000267425684 509474703 /nfs/dbraw/zinc/47/47/03/509474703.db2.gz UEADCXXCNMTIKY-UHFFFAOYSA-N 0 3 367.833 2.623 20 5 FFBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000192358121 509481755 /nfs/dbraw/zinc/48/17/55/509481755.db2.gz UXUDPMMGENUZMD-HXUWFJFHSA-N 0 3 355.438 2.976 20 5 FFBDHN CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC1(c2ccccc2)CC1 ZINC000189287294 509502929 /nfs/dbraw/zinc/50/29/29/509502929.db2.gz QGQARLZUYKENJP-SFHVURJKSA-N 0 3 356.422 2.998 20 5 FFBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000267551695 509537750 /nfs/dbraw/zinc/53/77/50/509537750.db2.gz CHUIIAJWQCDXIY-WBVHZDCISA-N 0 3 356.426 2.635 20 5 FFBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000189628785 509671754 /nfs/dbraw/zinc/67/17/54/509671754.db2.gz JUELOZXGDOOYPC-UHFFFAOYSA-N 0 3 368.437 2.614 20 5 FFBDHN CN1CCN(C)[C@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000264767521 509692260 /nfs/dbraw/zinc/69/22/60/509692260.db2.gz QETRGTNZSGRSPD-MRXNPFEDSA-N 0 3 360.483 2.659 20 5 FFBDHN CCc1n[nH]c(C(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000186436823 509707988 /nfs/dbraw/zinc/70/79/88/509707988.db2.gz BPNJXOWGOMJKKJ-MRXNPFEDSA-N 0 3 371.441 2.521 20 5 FFBDHN C[C@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)N1[C@H](C)CC[C@H]1C ZINC000249733968 509746207 /nfs/dbraw/zinc/74/62/07/509746207.db2.gz CTFCMQPENOWTST-BZUAXINKSA-N 0 3 360.458 2.505 20 5 FFBDHN CCOC[C@H](N[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000189799268 509757369 /nfs/dbraw/zinc/75/73/69/509757369.db2.gz NOBWNJWVSRMKNM-WFASDCNBSA-N 0 3 353.419 2.581 20 5 FFBDHN O=[N+]([O-])c1ccc(OC2CCN(CCO[C@@H]3CCCCO3)CC2)cc1 ZINC000193060322 509760298 /nfs/dbraw/zinc/76/02/98/509760298.db2.gz JLLHDIYAUHYTNK-GOSISDBHSA-N 0 3 350.415 2.981 20 5 FFBDHN CN1CC[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000180142741 509774546 /nfs/dbraw/zinc/77/45/46/509774546.db2.gz OHISILKNUUWCOI-MJGOQNOKSA-N 0 3 355.394 2.535 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cc1SC ZINC000268171631 509794989 /nfs/dbraw/zinc/79/49/89/509794989.db2.gz FBNBPGSMWDDZRT-GXFFZTMASA-N 0 3 365.455 2.538 20 5 FFBDHN C[C@@H]1CCCN(CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000176987487 509801786 /nfs/dbraw/zinc/80/17/86/509801786.db2.gz BCMXWLFMFANMPG-LLVKDONJSA-N 0 3 370.247 2.819 20 5 FFBDHN O=[N+]([O-])c1ccn(CCN(Cc2ccccc2)C[C@H](O)c2ccco2)n1 ZINC000177160242 509910183 /nfs/dbraw/zinc/91/01/83/509910183.db2.gz JQWUUMHGUVGFOF-INIZCTEOSA-N 0 3 356.382 2.620 20 5 FFBDHN C[C@@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@H](c1ccccc1)N(C)C ZINC000187220216 510131430 /nfs/dbraw/zinc/13/14/30/510131430.db2.gz ZDGZOABKHBGRNU-SJKOYZFVSA-N 0 3 371.393 2.745 20 5 FFBDHN CN1CCC(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 ZINC000193927547 510132638 /nfs/dbraw/zinc/13/26/38/510132638.db2.gz JYEAAXNLFBOMFV-UHFFFAOYSA-N 0 3 369.421 2.998 20 5 FFBDHN C[C@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000187258726 510154925 /nfs/dbraw/zinc/15/49/25/510154925.db2.gz GJGJNJVUZNAXIF-YWZLYKJASA-N 0 3 370.453 2.839 20 5 FFBDHN C[C@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000187258761 510155203 /nfs/dbraw/zinc/15/52/03/510155203.db2.gz GJGJNJVUZNAXIF-MGPUTAFESA-N 0 3 370.453 2.839 20 5 FFBDHN COC(=O)c1ccccc1CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000187262221 510156625 /nfs/dbraw/zinc/15/66/25/510156625.db2.gz QQQHGDKVLJWNOU-HNNXBMFYSA-N 0 3 370.409 2.505 20 5 FFBDHN COc1ccccc1[C@@H]1CNCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000262112385 510180463 /nfs/dbraw/zinc/18/04/63/510180463.db2.gz AZCRSGGODNOXFX-SFHVURJKSA-N 0 3 357.410 2.629 20 5 FFBDHN Cc1ccc([C@@H](C)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000180941657 510197390 /nfs/dbraw/zinc/19/73/90/510197390.db2.gz ZQXZIBZIRFFXHJ-GFCCVEGCSA-N 0 3 369.468 2.594 20 5 FFBDHN COc1cc(CN[C@H]2CCO[C@]3(CCSC3)C2)c([N+](=O)[O-])cc1OC ZINC000269152072 510260486 /nfs/dbraw/zinc/26/04/86/510260486.db2.gz QEPZMJCLINMSTL-SUMWQHHRSA-N 0 3 368.455 2.756 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@H]3CN3CCCC3)o2)cc1 ZINC000171773391 510361155 /nfs/dbraw/zinc/36/11/55/510361155.db2.gz HKOJPYCCLSDFCW-INIZCTEOSA-N 0 3 357.414 2.705 20 5 FFBDHN Cc1ccc([C@H](C)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178001274 510369924 /nfs/dbraw/zinc/36/99/24/510369924.db2.gz FGUVHWKSAMMNNG-AWEZNQCLSA-N 0 3 363.439 2.532 20 5 FFBDHN COc1cc(C(=O)Nc2ccc(CN(C)C)cc2)cc([N+](=O)[O-])c1OC ZINC000266080894 510397571 /nfs/dbraw/zinc/39/75/71/510397571.db2.gz NLOZYOUQZOBYBY-UHFFFAOYSA-N 0 3 359.382 2.926 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H](c2ccccc2F)C2CCCC2)c1 ZINC000181500831 510440956 /nfs/dbraw/zinc/44/09/56/510440956.db2.gz SLALWZUOZXOZQK-MAUKXSAKSA-N 0 3 362.405 2.812 20 5 FFBDHN CN1CCC[C@@H]1CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000194723275 510496216 /nfs/dbraw/zinc/49/62/16/510496216.db2.gz LUIVBYLMIYHAPD-GFCCVEGCSA-N 0 3 374.363 2.626 20 5 FFBDHN C[C@H](NCCOc1cccc([N+](=O)[O-])c1)c1ccc(-n2cncn2)cc1 ZINC000181880912 510638753 /nfs/dbraw/zinc/63/87/53/510638753.db2.gz RJXBJWNUOKKLHI-AWEZNQCLSA-N 0 3 353.382 2.905 20 5 FFBDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000266555099 510655528 /nfs/dbraw/zinc/65/55/28/510655528.db2.gz PMTIQNYOSXJHSY-MRXNPFEDSA-N 0 3 356.426 2.907 20 5 FFBDHN O=[N+]([O-])c1ccccc1/C=C/CNCc1cnc(N2CCOCC2)c(F)c1 ZINC000185074241 510669106 /nfs/dbraw/zinc/66/91/06/510669106.db2.gz BKISDVNWDHLPQZ-HWKANZROSA-N 0 3 372.400 2.769 20 5 FFBDHN Cc1nc2ccccc2n1C[C@H]1CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000270126149 510685876 /nfs/dbraw/zinc/68/58/76/510685876.db2.gz GJKQUNLTFUEBGZ-OAHLLOKOSA-N 0 3 354.414 2.614 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCS[C@H]2CCCC[C@@H]21 ZINC000181980077 510690239 /nfs/dbraw/zinc/69/02/39/510690239.db2.gz WRDMEHURAVYZBO-KMFMINBZSA-N 0 3 352.456 2.695 20 5 FFBDHN C[C@H](NCCOc1ccccc1[N+](=O)[O-])c1ccc(-n2ccnn2)cc1 ZINC000182040139 510725176 /nfs/dbraw/zinc/72/51/76/510725176.db2.gz DRNCNGCWECUCNS-AWEZNQCLSA-N 0 3 353.382 2.905 20 5 FFBDHN CC(NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)(c1ccccc1)c1ccccc1 ZINC000182215777 510817275 /nfs/dbraw/zinc/81/72/75/510817275.db2.gz KRCXOMTWUXDGAQ-LJQANCHMSA-N 0 3 366.421 2.706 20 5 FFBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000247556971 510865520 /nfs/dbraw/zinc/86/55/20/510865520.db2.gz ZHGBDTOATHXULD-TZMCWYRMSA-N 0 3 369.849 2.816 20 5 FFBDHN COc1cc(C(=O)N(C)C2CCN(C(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000294290581 511015672 /nfs/dbraw/zinc/01/56/72/511015672.db2.gz FGFBSLJBPROGQN-UHFFFAOYSA-N 0 3 353.394 2.687 20 5 FFBDHN COc1cccc(C2(NC[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000271741505 511307067 /nfs/dbraw/zinc/30/70/67/511307067.db2.gz VZRYLVYRAZDXMF-MRXNPFEDSA-N 0 3 358.394 2.622 20 5 FFBDHN CCOc1cc(N2CCN(CCCn3ccnc3C)CC2)ccc1[N+](=O)[O-] ZINC000280300928 511411932 /nfs/dbraw/zinc/41/19/32/511411932.db2.gz VSPKPPANLYELGB-UHFFFAOYSA-N 0 3 373.457 2.711 20 5 FFBDHN COc1ccc(CNC(=O)Nc2cccc(CN(C)C)c2)cc1[N+](=O)[O-] ZINC000298843334 511427779 /nfs/dbraw/zinc/42/77/79/511427779.db2.gz HWQQTYVXSPWASE-UHFFFAOYSA-N 0 3 358.398 2.987 20 5 FFBDHN CN1CC[C@]2(CCN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000292181445 511497062 /nfs/dbraw/zinc/49/70/62/511497062.db2.gz KQRPESGLXXOXHT-KRWDZBQOSA-N 0 3 367.833 2.571 20 5 FFBDHN C[C@@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCN(C2CCC2)C1 ZINC000292235933 511516634 /nfs/dbraw/zinc/51/66/34/511516634.db2.gz CSLLFSXZPMMONB-AWEZNQCLSA-N 0 3 370.453 2.951 20 5 FFBDHN CC[C@H](C)N1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000295945840 511564337 /nfs/dbraw/zinc/56/43/37/511564337.db2.gz IFNISOMDLSQWSZ-HNNXBMFYSA-N 0 3 360.458 2.751 20 5 FFBDHN Cn1ccnc1[C@@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000365627906 511568819 /nfs/dbraw/zinc/56/88/19/511568819.db2.gz KQGFYKQEWLSXPW-CQSZACIVSA-N 0 3 357.414 2.537 20 5 FFBDHN Cc1c(NC(=O)NC[C@@H](C)N(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000280835267 511621950 /nfs/dbraw/zinc/62/19/50/511621950.db2.gz VQTZVCIMSUSOAH-MRVPVSSYSA-N 0 3 359.224 2.737 20 5 FFBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000273846510 511629949 /nfs/dbraw/zinc/62/99/49/511629949.db2.gz GTYXDUFQMOSIBD-CXAGYDPISA-N 0 3 363.433 2.954 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC2CCN(Cc3ccccc3)CC2)n1 ZINC000280979200 511676469 /nfs/dbraw/zinc/67/64/69/511676469.db2.gz NFHVDZLSAWVJMV-UHFFFAOYSA-N 0 3 370.409 2.853 20 5 FFBDHN CN1CCC(Oc2ccc(CNC(=O)c3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000284400231 511710164 /nfs/dbraw/zinc/71/01/64/511710164.db2.gz HFQUJOOOVOXLIR-UHFFFAOYSA-N 0 3 369.421 2.998 20 5 FFBDHN COC(=O)c1cnc(NC2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000302748091 511714616 /nfs/dbraw/zinc/71/46/16/511714616.db2.gz GHAPSDUVJSHTLF-UHFFFAOYSA-N 0 3 370.409 2.853 20 5 FFBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296409044 511731372 /nfs/dbraw/zinc/73/13/72/511731372.db2.gz UHUOLXWVMOWHSJ-IRXDYDNUSA-N 0 3 350.802 2.947 20 5 FFBDHN Cc1c(NC(=O)[C@H](C)N2CCN(C3CC3)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000296801123 511903700 /nfs/dbraw/zinc/90/37/00/511903700.db2.gz UECRVMFMPWIILU-HIFRSBDPSA-N 0 3 360.458 2.646 20 5 FFBDHN CC(C)c1n[nH]c(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000274699458 511913362 /nfs/dbraw/zinc/91/33/62/511913362.db2.gz NFYMDEHIAMSEQR-WBMJQRKESA-N 0 3 359.430 2.863 20 5 FFBDHN CN1CCC[C@@]2(CCN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)C2)C1 ZINC000297071338 512008290 /nfs/dbraw/zinc/00/82/90/512008290.db2.gz AGPKMHIWWSEWIO-QGZVFWFLSA-N 0 3 366.849 2.876 20 5 FFBDHN COc1cc(CN[C@H]2CCC[C@H]2CCO)c([N+](=O)[O-])cc1OC(F)F ZINC000275056919 512028470 /nfs/dbraw/zinc/02/84/70/512028470.db2.gz NPACDYJRTGJYSE-JQWIXIFHSA-N 0 3 360.357 2.846 20 5 FFBDHN CN1CCC2(CCCN2C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000367351403 512457448 /nfs/dbraw/zinc/45/74/48/512457448.db2.gz IPZMENUZMKLCAR-UHFFFAOYSA-N 0 3 360.458 2.874 20 5 FFBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1cnc2n1CCCC2 ZINC000367438333 512498797 /nfs/dbraw/zinc/49/87/97/512498797.db2.gz MHZDLQRVVPPGRX-ZDUSSCGKSA-N 0 3 357.414 2.635 20 5 FFBDHN Cc1c(NC(=O)[C@H](C)N2C[C@@H](N3CCCC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000375784134 512505536 /nfs/dbraw/zinc/50/55/36/512505536.db2.gz GTNLCDAHAVPPOF-KBMXLJTQSA-N 0 3 360.458 2.789 20 5 FFBDHN O=C(CCN1CCc2ccccc2[C@@H]1CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000411391526 512613222 /nfs/dbraw/zinc/61/32/22/512613222.db2.gz ORTXCJANUKAHGQ-SFHVURJKSA-N 0 3 355.394 2.515 20 5 FFBDHN C[C@@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000367927328 512726852 /nfs/dbraw/zinc/72/68/52/512726852.db2.gz PRDDMGXSZZHIPW-HIFRSBDPSA-N 0 3 352.866 2.710 20 5 FFBDHN C[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000374309526 512757452 /nfs/dbraw/zinc/75/74/52/512757452.db2.gz JQLZBCJNCFIRSO-HIFRSBDPSA-N 0 3 352.866 2.710 20 5 FFBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000376567790 512877760 /nfs/dbraw/zinc/87/77/60/512877760.db2.gz AHFZDWCUEVOEAQ-WFASDCNBSA-N 0 3 353.369 2.772 20 5 FFBDHN C[C@H](C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)N1[C@H](C)CC[C@@H]1C ZINC000411996278 512906897 /nfs/dbraw/zinc/90/68/97/512906897.db2.gz GEQJXDHFJOITQK-GRYCIOLGSA-N 0 3 358.402 2.580 20 5 FFBDHN CN1CC=C(CNc2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000392912092 512929410 /nfs/dbraw/zinc/92/94/10/512929410.db2.gz ZGWSDAKXSIBOLT-UHFFFAOYSA-N 0 3 373.194 2.873 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000398001237 512951428 /nfs/dbraw/zinc/95/14/28/512951428.db2.gz NNIBHMPPZRTSJT-PBHICJAKSA-N 0 3 368.437 2.817 20 5 FFBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000370588032 513006246 /nfs/dbraw/zinc/00/62/46/513006246.db2.gz KCAXEJVISHCLRE-QAPCUYQASA-N 0 3 352.394 2.746 20 5 FFBDHN C[C@@H](CNC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)N(C)C ZINC000412381952 513060089 /nfs/dbraw/zinc/06/00/89/513060089.db2.gz AXWRYJNSGIOINR-ZNMIVQPWSA-N 0 3 362.474 2.757 20 5 FFBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N(C)C ZINC000412393775 513062834 /nfs/dbraw/zinc/06/28/34/513062834.db2.gz KHZNJGVIKROBLC-AWEZNQCLSA-N 0 3 356.426 2.887 20 5 FFBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)NC1CCN([C@H]2CCOC2)CC1 ZINC000370750009 513083419 /nfs/dbraw/zinc/08/34/19/513083419.db2.gz OBCKNDHTXDWLJM-ZDUSSCGKSA-N 0 3 368.821 2.623 20 5 FFBDHN COc1ccc(CSCC(=O)N(CCN(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000439627258 513153650 /nfs/dbraw/zinc/15/36/50/513153650.db2.gz UOQDHSDCGXPTIR-UHFFFAOYSA-N 0 3 369.487 2.635 20 5 FFBDHN CC(C)CN1CCCC[C@@H]1CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000439693476 513165542 /nfs/dbraw/zinc/16/55/42/513165542.db2.gz SUACFPDALWBNGS-CYBMUJFWSA-N 0 3 351.451 2.682 20 5 FFBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC(OCCN(C)C)CC1 ZINC000446042821 513170296 /nfs/dbraw/zinc/17/02/96/513170296.db2.gz PWVUXESYEGILHQ-UHFFFAOYSA-N 0 3 369.849 2.739 20 5 FFBDHN C[C@H]1C[C@@H]1N1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H](C)C1 ZINC000429012732 513253500 /nfs/dbraw/zinc/25/35/00/513253500.db2.gz VBJJGKZGCYJVBE-KEYYUXOJSA-N 0 3 371.441 2.807 20 5 FFBDHN COc1ccc(NC(=O)NC[C@H]2NCCc3ccccc32)cc1[N+](=O)[O-] ZINC000415436947 513260746 /nfs/dbraw/zinc/26/07/46/513260746.db2.gz JZJOPKIOGSSMKA-OAHLLOKOSA-N 0 3 356.382 2.612 20 5 FFBDHN CN1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)C[C@@H]21 ZINC000450782523 513338980 /nfs/dbraw/zinc/33/89/80/513338980.db2.gz XXQUMHGPBFMWCU-WBVHZDCISA-N 0 3 354.410 2.709 20 5 FFBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425002096 513363181 /nfs/dbraw/zinc/36/31/81/513363181.db2.gz FPBOKUPDEZHOFZ-AZUAARDMSA-N 0 3 365.433 2.870 20 5 FFBDHN C[C@@H]1CN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H](C)CN1 ZINC000418085800 513366985 /nfs/dbraw/zinc/36/69/85/513366985.db2.gz AXVBDGYVTBWFCZ-NXEZZACHSA-N 0 3 360.336 2.505 20 5 FFBDHN CN(C[C@@H]1CCCN1C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000421706464 513377989 /nfs/dbraw/zinc/37/79/89/513377989.db2.gz VAFCEZVPIHTTNZ-ZDUSSCGKSA-N 0 3 355.822 2.570 20 5 FFBDHN CCN1CCN(Cc2ccc(CNc3ncc([N+](=O)[O-])cc3F)cc2)CC1 ZINC000413057953 513414045 /nfs/dbraw/zinc/41/40/45/513414045.db2.gz HHHNJMIMXHFFQX-UHFFFAOYSA-N 0 3 373.432 2.879 20 5 FFBDHN CN(C)[C@@]1(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CCSC1 ZINC000413166138 513494122 /nfs/dbraw/zinc/49/41/22/513494122.db2.gz GCSQEHJZBYAZCN-GFCCVEGCSA-N 0 3 350.366 2.858 20 5 FFBDHN CS[C@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000425426812 513559666 /nfs/dbraw/zinc/55/96/66/513559666.db2.gz WUVULMZUNHEEQW-KBPBESRZSA-N 0 3 374.304 2.835 20 5 FFBDHN COc1cccc(C(=O)Nc2cccc(OCCN(C)C)c2)c1[N+](=O)[O-] ZINC000435546721 513615484 /nfs/dbraw/zinc/61/54/84/513615484.db2.gz WEXLBQUJJHNSEJ-UHFFFAOYSA-N 0 3 359.382 2.796 20 5 FFBDHN CN(C)[C@H](CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000416228598 513659988 /nfs/dbraw/zinc/65/99/88/513659988.db2.gz YSPMYMNHBONRBL-QGZVFWFLSA-N 0 3 371.441 2.648 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000442093150 513665859 /nfs/dbraw/zinc/66/58/59/513665859.db2.gz GZTSQHUJQJBKFJ-UMVBOHGHSA-N 0 3 369.487 2.548 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@@H]3[C@H]3CCC[C@H]3O)n2)cc1 ZINC000451426682 513743622 /nfs/dbraw/zinc/74/36/22/513743622.db2.gz VWTLGOUEYAYGRX-BZUAXINKSA-N 0 3 358.398 2.770 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCSC[C@@H]1C1CCC1 ZINC000419375386 513791365 /nfs/dbraw/zinc/79/13/65/513791365.db2.gz QLKWRPRVJPFHIR-GOEBONIOSA-N 0 3 352.456 2.552 20 5 FFBDHN CCO[C@H]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H]1C ZINC000451522735 513805949 /nfs/dbraw/zinc/80/59/49/513805949.db2.gz BRHLXPCNNKXSNP-CJNGLKHVSA-N 0 3 363.414 2.640 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C(C)C)[C@@H](CO)C(C)C ZINC000451595807 513856912 /nfs/dbraw/zinc/85/69/12/513856912.db2.gz KWGKPEXQNPDGLO-MAUKXSAKSA-N 0 3 351.447 2.720 20 5 FFBDHN CCc1ccccc1[C@H](N)CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000420289556 514075297 /nfs/dbraw/zinc/07/52/97/514075297.db2.gz ZNERNWUEGHKWQC-GFCCVEGCSA-N 0 3 369.468 2.734 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCNC[C@H]1c1ccccc1 ZINC000420402708 514133225 /nfs/dbraw/zinc/13/32/25/514133225.db2.gz KIJKCQICEXVFCG-IBGZPJMESA-N 0 3 368.437 2.878 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCNC[C@H]1c1ccccc1 ZINC000420412568 514138327 /nfs/dbraw/zinc/13/83/27/514138327.db2.gz SHULKTHUMFXWQE-IBGZPJMESA-N 0 3 368.437 2.878 20 5 FFBDHN C[C@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000432329418 514162195 /nfs/dbraw/zinc/16/21/95/514162195.db2.gz PKWUHMNGNVGIBU-RDJZCZTQSA-N 0 3 369.469 2.605 20 5 FFBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC1(CS(C)(=O)=O)CCC1 ZINC000414559542 514180464 /nfs/dbraw/zinc/18/04/64/514180464.db2.gz UWYHPEUQYTUBFF-NTEUORMPSA-N 0 3 352.456 2.803 20 5 FFBDHN Cn1nccc1[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000449596763 514266428 /nfs/dbraw/zinc/26/64/28/514266428.db2.gz YEYLRBIJEXTFMI-LRDDRELGSA-N 0 3 350.806 2.992 20 5 FFBDHN CCOc1cc(NC(=O)N2C[C@@H](C)NC[C@@H]2C)c([N+](=O)[O-])cc1OCC ZINC000414762081 514279087 /nfs/dbraw/zinc/27/90/87/514279087.db2.gz VJOFBRKLSAIJDT-NEPJUHHUSA-N 0 3 366.418 2.606 20 5 FFBDHN CN(C)c1cc(NCc2csc([N+](=O)[O-])c2)ncc1Br ZINC000449651289 514282479 /nfs/dbraw/zinc/28/24/79/514282479.db2.gz VQYRVUMDRJFLCU-UHFFFAOYSA-N 0 3 357.233 2.914 20 5 FFBDHN CCc1ccccc1[C@@H](N)CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000423969524 514314308 /nfs/dbraw/zinc/31/43/08/514314308.db2.gz FABXTVQQJPLDFG-INIZCTEOSA-N 0 3 357.410 2.742 20 5 FFBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc(-c2ccccn2)[n-]1 ZINC000449707876 514316223 /nfs/dbraw/zinc/31/62/23/514316223.db2.gz FEAKXUYPLYYTBI-ZDUSSCGKSA-N 0 3 352.398 2.886 20 5 FFBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NCc1nc(-c2ccccn2)n[nH]1 ZINC000449707876 514316233 /nfs/dbraw/zinc/31/62/33/514316233.db2.gz FEAKXUYPLYYTBI-ZDUSSCGKSA-N 0 3 352.398 2.886 20 5 FFBDHN CCc1ccccc1[C@H](N)CNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000423976611 514318448 /nfs/dbraw/zinc/31/84/48/514318448.db2.gz MTQFQKWXKBXWNB-OAHLLOKOSA-N 0 3 373.409 2.604 20 5 FFBDHN COc1cc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)cc([N+](=O)[O-])c1C ZINC000424015499 514341226 /nfs/dbraw/zinc/34/12/26/514341226.db2.gz ZROQDDVHABOTDH-JKSUJKDBSA-N 0 3 373.384 2.618 20 5 FFBDHN CN1CC[C@@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1=O ZINC000424195202 514411334 /nfs/dbraw/zinc/41/13/34/514411334.db2.gz XYFMTWDCYWFKQO-GFCCVEGCSA-N 0 3 360.439 2.676 20 5 FFBDHN CN(CC[C@@H]1CCCCN1C)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000449964770 514444971 /nfs/dbraw/zinc/44/49/71/514444971.db2.gz KANRDJBFLGIYGZ-INIZCTEOSA-N 0 3 361.442 2.891 20 5 FFBDHN CN(Cc1ccccc1)C1(CNC(=O)c2ccc([N+](=O)[O-])n2C)CCC1 ZINC000452724052 514475769 /nfs/dbraw/zinc/47/57/69/514475769.db2.gz XNMUCRWDSPKHKJ-UHFFFAOYSA-N 0 3 356.426 2.718 20 5 FFBDHN CCN(CC)[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)c1ccsc1 ZINC000502379572 514630402 /nfs/dbraw/zinc/63/04/02/514630402.db2.gz HXHTUHXLVQTJFY-ZDUSSCGKSA-N 0 3 360.443 2.616 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1CCCC[C@@H]1n1cccn1 ZINC000484653706 514731895 /nfs/dbraw/zinc/73/18/95/514731895.db2.gz QUPWCFCCCXLBAX-GJZGRUSLSA-N 0 3 357.414 2.812 20 5 FFBDHN CCCCN1CCCC[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000502711812 514750079 /nfs/dbraw/zinc/75/00/79/514750079.db2.gz MIJZIHRUXOYSDH-OAHLLOKOSA-N 0 3 369.487 2.836 20 5 FFBDHN CN(C)[C@]1(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCSC1 ZINC000480281339 514907041 /nfs/dbraw/zinc/90/70/41/514907041.db2.gz VWURYTYBRZUWGC-INIZCTEOSA-N 0 3 365.480 2.977 20 5 FFBDHN O=[N+]([O-])c1ccc(CNC[C@@H](CO)Cc2ccc(F)c(F)c2)c(F)c1 ZINC000480452983 514965189 /nfs/dbraw/zinc/96/51/89/514965189.db2.gz JBZVTKSTWIRFPS-LBPRGKRZSA-N 0 3 354.328 2.953 20 5 FFBDHN COCC[C@H](N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)(C)C ZINC000508986737 514976217 /nfs/dbraw/zinc/97/62/17/514976217.db2.gz KQMMBAYGIMKJFV-WBMJQRKESA-N 0 3 367.446 2.971 20 5 FFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C[C@H]1C ZINC000480985835 515163106 /nfs/dbraw/zinc/16/31/06/515163106.db2.gz WEWGXMOYPHHDIX-UKRRQHHQSA-N 0 3 369.487 2.705 20 5 FFBDHN Cc1noc([C@H]2CCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)n1 ZINC000499005974 515163122 /nfs/dbraw/zinc/16/31/22/515163122.db2.gz NRSFJHMZBWRPFG-AWEZNQCLSA-N 0 3 369.381 2.973 20 5 FFBDHN C[C@@H]1CCCN(CCNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000486269621 515410084 /nfs/dbraw/zinc/41/00/84/515410084.db2.gz NAVSUVJIOIHQLH-CYBMUJFWSA-N 0 3 368.865 2.822 20 5 FFBDHN C[C@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])CCN1C1CCN(C)CC1 ZINC000492175428 515510561 /nfs/dbraw/zinc/51/05/61/515510561.db2.gz JGDXMRNZDPNPHQ-AWEZNQCLSA-N 0 3 366.893 2.849 20 5 FFBDHN CC(C)N1CC[C@H](N(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000457083581 515635708 /nfs/dbraw/zinc/63/57/08/515635708.db2.gz FNWVPDHPZLJSIU-ZDUSSCGKSA-N 0 3 370.247 2.912 20 5 FFBDHN C[C@@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000463843283 515637267 /nfs/dbraw/zinc/63/72/67/515637267.db2.gz CKMNNFOKMRMJFS-INIZCTEOSA-N 0 3 370.453 2.668 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000493507336 515638633 /nfs/dbraw/zinc/63/86/33/515638633.db2.gz UQEMXWJKXGWXAU-YWPYICTPSA-N 0 3 367.833 2.568 20 5 FFBDHN COC(=O)C1(CNCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000486919105 515683809 /nfs/dbraw/zinc/68/38/09/515683809.db2.gz FCGQXGBZSHVDSS-UHFFFAOYSA-N 0 3 360.366 2.906 20 5 FFBDHN C[C@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000482526965 515709040 /nfs/dbraw/zinc/70/90/40/515709040.db2.gz HCUMGZRUNJYFLE-HNNXBMFYSA-N 0 3 362.451 2.837 20 5 FFBDHN CCCN(CCCN(C)C)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000469184997 515711041 /nfs/dbraw/zinc/71/10/41/515711041.db2.gz FQXOMSMROFRFJF-UHFFFAOYSA-N 0 3 373.457 2.727 20 5 FFBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c(F)c1 ZINC000478387040 515802644 /nfs/dbraw/zinc/80/26/44/515802644.db2.gz QXFLKTQZQMAGTI-YLJYHZDGSA-N 0 3 373.428 2.707 20 5 FFBDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)N(C)C ZINC000464419890 515817341 /nfs/dbraw/zinc/81/73/41/515817341.db2.gz NZFRIWRZNMCVKA-PBHICJAKSA-N 0 3 373.457 2.642 20 5 FFBDHN COc1ccccc1[C@H]1[C@@H](N)CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000457361195 515828249 /nfs/dbraw/zinc/82/82/49/515828249.db2.gz JEGYJMYYOSXTHX-LRDDRELGSA-N 0 3 361.423 2.970 20 5 FFBDHN CN(C)C1(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCCCCC1 ZINC000506256330 515829254 /nfs/dbraw/zinc/82/92/54/515829254.db2.gz WKVIEGLSFWLZAU-UHFFFAOYSA-N 0 3 369.487 2.669 20 5 FFBDHN COC(=O)COc1ccc(CNCc2cccc3cc[nH]c32)cc1[N+](=O)[O-] ZINC000473997504 515836732 /nfs/dbraw/zinc/83/67/32/515836732.db2.gz WLJAOXKRHNGHNR-UHFFFAOYSA-N 0 3 369.377 2.918 20 5 FFBDHN CN(C)CCN(Cc1ccccn1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000500779626 515855804 /nfs/dbraw/zinc/85/58/04/515855804.db2.gz MEKBNMHQNSGSTG-UHFFFAOYSA-N 0 3 362.817 2.847 20 5 FFBDHN CNc1nc(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000454958053 515857557 /nfs/dbraw/zinc/85/75/57/515857557.db2.gz VHHNTFBPTUDSBS-ZFWWWQNUSA-N 0 3 369.425 2.597 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1cnccc1C ZINC000482980023 515870312 /nfs/dbraw/zinc/87/03/12/515870312.db2.gz JEINGSKISLVYON-UHFFFAOYSA-N 0 3 358.398 2.767 20 5 FFBDHN Cn1cnc([N+](=O)[O-])c1N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000474168363 515914470 /nfs/dbraw/zinc/91/44/70/515914470.db2.gz JPHKWWLBTNWWOC-LJQANCHMSA-N 0 3 355.442 2.821 20 5 FFBDHN COC(=O)[C@H]1CCCC[C@@]1(C)NCc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000464688816 515924284 /nfs/dbraw/zinc/92/42/84/515924284.db2.gz IRAHDGUHJDPECQ-SJKOYZFVSA-N 0 3 354.378 2.954 20 5 FFBDHN C[C@H](CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])N(C)C1CC1 ZINC000487895219 516023089 /nfs/dbraw/zinc/02/30/89/516023089.db2.gz JXRWGBTUAAIPBI-LLVKDONJSA-N 0 3 354.838 2.573 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000501234354 516024958 /nfs/dbraw/zinc/02/49/58/516024958.db2.gz OJGRFUAPHZESPR-ZBFHGGJFSA-N 0 3 354.410 2.864 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H]1N1CCCC1 ZINC000483386858 516059982 /nfs/dbraw/zinc/05/99/82/516059982.db2.gz MVDSUBMNRKALQQ-HUUCEWRRSA-N 0 3 369.874 2.900 20 5 FFBDHN CN(C)C1(CN(C)C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCC1 ZINC000474616740 516122456 /nfs/dbraw/zinc/12/24/56/516122456.db2.gz VLWIIJPMAPCLIW-UHFFFAOYSA-N 0 3 357.357 2.753 20 5 FFBDHN C[C@H]1C[C@H](C)CN(C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000507275827 516151777 /nfs/dbraw/zinc/15/17/77/516151777.db2.gz DBUQWXPMBCRISQ-KBPBESRZSA-N 0 3 369.487 2.630 20 5 FFBDHN CNC(=O)CCOC1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000470179928 516166170 /nfs/dbraw/zinc/16/61/70/516166170.db2.gz FNQBODOQZXODTE-NTCAYCPXSA-N 0 3 361.442 2.615 20 5 FFBDHN CC1(C)CCCN(CCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000470281309 516193184 /nfs/dbraw/zinc/19/31/84/516193184.db2.gz WQYGXOFXRRLGME-UHFFFAOYSA-N 0 3 358.442 2.857 20 5 FFBDHN CC(C)(C)[C@@H]1C[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000488568122 516262488 /nfs/dbraw/zinc/26/24/88/516262488.db2.gz ARRKJVLKJPZELF-DOMZBBRYSA-N 0 3 372.512 2.878 20 5 FFBDHN C[C@H]1C[C@@H]1N1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488714509 516292131 /nfs/dbraw/zinc/29/21/31/516292131.db2.gz NCEXXZOOIOFYEJ-GLJUWKHASA-N 0 3 372.469 2.654 20 5 FFBDHN CC(C)c1ccc(CNC[C@H]2CCCCN2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000512998061 516436075 /nfs/dbraw/zinc/43/60/75/516436075.db2.gz SWSJCMKGHJTMBU-OAHLLOKOSA-N 0 3 369.487 2.622 20 5 FFBDHN CN(C)C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000557956719 516523801 /nfs/dbraw/zinc/52/38/01/516523801.db2.gz ZVWSOBSOBBQXFQ-QGZVFWFLSA-N 0 3 361.373 2.532 20 5 FFBDHN C[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000513211579 516524689 /nfs/dbraw/zinc/52/46/89/516524689.db2.gz YEEPHBYMKCZABA-IUODEOHRSA-N 0 3 356.382 2.562 20 5 FFBDHN CN(C)C[C@@H]1CCCCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000524199177 516667276 /nfs/dbraw/zinc/66/72/76/516667276.db2.gz SAZLOIXXCLLJKU-AWEZNQCLSA-N 0 3 369.849 2.960 20 5 FFBDHN Cc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c(CN(C)C)c1 ZINC000540720156 516684249 /nfs/dbraw/zinc/68/42/49/516684249.db2.gz RQLGENNFLMZQEA-UHFFFAOYSA-N 0 3 357.366 2.946 20 5 FFBDHN C[C@@H](CN1CCCCC1)NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000561710879 516727223 /nfs/dbraw/zinc/72/72/23/516727223.db2.gz RZWCKIIVKYDYRY-AWEZNQCLSA-N 0 3 373.457 2.792 20 5 FFBDHN CCO[C@H]1C[C@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C1(CC)CC ZINC000536426734 516758474 /nfs/dbraw/zinc/75/84/74/516758474.db2.gz OYUBRDZAQUSDQY-HOTGVXAUSA-N 0 3 351.447 2.672 20 5 FFBDHN CCO[C@@H]1C[C@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C1(CC)CC ZINC000536426737 516759736 /nfs/dbraw/zinc/75/97/36/516759736.db2.gz OYUBRDZAQUSDQY-JKSUJKDBSA-N 0 3 351.447 2.672 20 5 FFBDHN CN1CCN(c2ccncc2NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000544618037 516837907 /nfs/dbraw/zinc/83/79/07/516837907.db2.gz SZJRIEIFHMWWQW-UHFFFAOYSA-N 0 3 374.376 2.525 20 5 FFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000544655990 516856590 /nfs/dbraw/zinc/85/65/90/516856590.db2.gz VGEJWRDABHVNSO-DZGCQCFKSA-N 0 3 369.487 2.705 20 5 FFBDHN CCOC(=O)Cn1nc(C)c(CN(C)CCc2cccc([N+](=O)[O-])c2)c1C ZINC000555341338 516891050 /nfs/dbraw/zinc/89/10/50/516891050.db2.gz ACVXPXTUSHVIKZ-UHFFFAOYSA-N 0 3 374.441 2.646 20 5 FFBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCC[C@H]1CN(C)C ZINC000519139858 516898084 /nfs/dbraw/zinc/89/80/84/516898084.db2.gz CZMKHAKOPNEEBQ-OCCSQVGLSA-N 0 3 369.849 2.958 20 5 FFBDHN CN(C)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1Cl ZINC000532398357 516953187 /nfs/dbraw/zinc/95/31/87/516953187.db2.gz VBOLOOXQOJLLHR-UHFFFAOYSA-N 0 3 364.789 2.836 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000525544408 517071280 /nfs/dbraw/zinc/07/12/80/517071280.db2.gz BZUZIZVFVOFGNC-OBJOEFQTSA-N 0 3 369.849 2.957 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)CCCN(C)Cc1ccco1 ZINC000552268252 517170239 /nfs/dbraw/zinc/17/02/39/517170239.db2.gz BSANPOWASLNALS-UHFFFAOYSA-N 0 3 374.441 2.889 20 5 FFBDHN CC(C)CN1CCCC[C@@H]1CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000545365088 517200654 /nfs/dbraw/zinc/20/06/54/517200654.db2.gz GNTPLBJQRRSANL-MRXNPFEDSA-N 0 3 369.487 2.525 20 5 FFBDHN CC(C)CCC[C@H](C)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000537969474 517419513 /nfs/dbraw/zinc/41/95/13/517419513.db2.gz BNCLPJKTHFSHMH-AWEZNQCLSA-N 0 3 357.476 2.678 20 5 FFBDHN NC(=O)c1cccc(NCCCN2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000552973386 517460606 /nfs/dbraw/zinc/46/06/06/517460606.db2.gz VKJHDVYWZSLONS-UHFFFAOYSA-N 0 3 354.410 2.554 20 5 FFBDHN C[C@H]1Cc2ccccc2[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000542666927 517678618 /nfs/dbraw/zinc/67/86/18/517678618.db2.gz ZTWXIDITPWIGPG-SCLBCKFNSA-N 0 3 360.435 2.892 20 5 FFBDHN CS[C@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1N(C)C ZINC000546549690 517720289 /nfs/dbraw/zinc/72/02/89/517720289.db2.gz MMHRVFLSTVJZLW-GJZGRUSLSA-N 0 3 369.462 2.516 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000542852640 517782754 /nfs/dbraw/zinc/78/27/54/517782754.db2.gz OBYWXDDGLPDZIY-MWLCHTKSSA-N 0 3 355.341 2.551 20 5 FFBDHN O=C1[C@H](N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000549920086 517782678 /nfs/dbraw/zinc/78/26/78/517782678.db2.gz PHFCICVHZVRKJG-MLHJIOFPSA-N 0 3 371.437 2.637 20 5 FFBDHN CCC(CC)(CC)C[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000542906018 517806550 /nfs/dbraw/zinc/80/65/50/517806550.db2.gz NGWUQDKYIKSNAG-UHFFFAOYSA-N 0 3 357.476 2.679 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](Cc2ccccc2)N(C)C)c1 ZINC000542948519 517833413 /nfs/dbraw/zinc/83/34/13/517833413.db2.gz ZWHZMQNGVPFBQU-MRXNPFEDSA-N 0 3 357.410 2.966 20 5 FFBDHN COCc1cc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])ccc1F ZINC000516862753 517880287 /nfs/dbraw/zinc/88/02/87/517880287.db2.gz LOJZNYIJCYEWHX-UHFFFAOYSA-N 0 3 361.373 2.999 20 5 FFBDHN CCc1[n-]nc(-c2nc(-c3ccc(OCC[NH+](C)C)cc3)no2)c1[N+](=O)[O-] ZINC000557350485 517970966 /nfs/dbraw/zinc/97/09/66/517970966.db2.gz XWQPAXQLEDHQLE-UHFFFAOYSA-N 0 3 372.385 2.538 20 5 FFBDHN Cc1ccc(CNC[C@H](Cc2ccccc2Cl)C(N)=O)cc1[N+](=O)[O-] ZINC000539618709 518123182 /nfs/dbraw/zinc/12/31/82/518123182.db2.gz QAYRMSSSUUXMFR-HNNXBMFYSA-N 0 3 361.829 2.990 20 5 FFBDHN COc1cc(C(=O)N2CCc3ccccc3[C@H]2CN)cc([N+](=O)[O-])c1C ZINC000567272296 518441197 /nfs/dbraw/zinc/44/11/97/518441197.db2.gz LAZZXHYOPNRKKF-QGZVFWFLSA-N 0 3 355.394 2.610 20 5 FFBDHN Cc1c(NC(=O)NCc2ccncc2OCCN(C)C)cccc1[N+](=O)[O-] ZINC000564492283 518472453 /nfs/dbraw/zinc/47/24/53/518472453.db2.gz RNCSFEIMKLKDGH-UHFFFAOYSA-N 0 3 373.413 2.560 20 5 FFBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@H]1CS(=O)(=O)c2ccccc21 ZINC000581894482 518490740 /nfs/dbraw/zinc/49/07/40/518490740.db2.gz VBEIHIKPVRPOFO-BLLLJJGKSA-N 0 3 358.419 2.743 20 5 FFBDHN CCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000584869447 518516784 /nfs/dbraw/zinc/51/67/84/518516784.db2.gz HVSACGIIUOEUJR-OIISXLGYSA-N 0 3 361.442 2.719 20 5 FFBDHN C[C@@H](CCC(C)(C)C)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000576417190 518583028 /nfs/dbraw/zinc/58/30/28/518583028.db2.gz PNUBPBKCYDMLTQ-ZDUSSCGKSA-N 0 3 357.476 2.678 20 5 FFBDHN CSCc1ccc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000570447151 518611066 /nfs/dbraw/zinc/61/10/66/518611066.db2.gz UKNPZYFVGUCVOK-MRXNPFEDSA-N 0 3 362.451 2.987 20 5 FFBDHN COc1ccccc1[C@]1(C)C[C@H]1NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000582481637 518774697 /nfs/dbraw/zinc/77/46/97/518774697.db2.gz BZCOKJMRTRCOAF-XMCHAPAWSA-N 0 3 372.421 2.663 20 5 FFBDHN CN(C)C1(CN(C)C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CCC1 ZINC000582520361 518791890 /nfs/dbraw/zinc/79/18/90/518791890.db2.gz WAZDPFURAUXRRI-UHFFFAOYSA-N 0 3 373.457 2.744 20 5 FFBDHN COc1cccc2c1CC[C@H]2NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000570837335 518804833 /nfs/dbraw/zinc/80/48/33/518804833.db2.gz QYYSOGDYRGYMMR-KBXCAEBGSA-N 0 3 358.394 2.620 20 5 FFBDHN COc1cccc2c1CC[C@@H]2NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000570837338 518805066 /nfs/dbraw/zinc/80/50/66/518805066.db2.gz QYYSOGDYRGYMMR-KDOFPFPSSA-N 0 3 358.394 2.620 20 5 FFBDHN CC(C)CN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C2CC2)CC1 ZINC000568104460 518876299 /nfs/dbraw/zinc/87/62/99/518876299.db2.gz RPJGBAKUJGONSZ-UHFFFAOYSA-N 0 3 370.457 2.966 20 5 FFBDHN CN(C(=O)c1c(N)cccc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000571050107 518903873 /nfs/dbraw/zinc/90/38/73/518903873.db2.gz MZBVJIOPADZGGS-OAHLLOKOSA-N 0 3 354.410 2.524 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@H]1CCCOc2ccccc21 ZINC000571198628 518975111 /nfs/dbraw/zinc/97/51/11/518975111.db2.gz SMWGTLAFYKAWRG-HOCLYGCPSA-N 0 3 358.394 2.838 20 5 FFBDHN O=[N+]([O-])c1ccc(NC2CCN(C3CC3)CC2)c(F)c1N1CCOCC1 ZINC000583094124 519073908 /nfs/dbraw/zinc/07/39/08/519073908.db2.gz QHFSRNKRRMDXTE-UHFFFAOYSA-N 0 3 364.421 2.609 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](OCCN2CCCCC2)C1 ZINC000577452197 519083948 /nfs/dbraw/zinc/08/39/48/519083948.db2.gz FGADRYYACIDQLZ-KRWDZBQOSA-N 0 3 361.442 2.620 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CCCc3sc(Cl)cc32)c1 ZINC000571433036 519095053 /nfs/dbraw/zinc/09/50/53/519095053.db2.gz OIJRTBWDJTZPFP-PWSUYJOCSA-N 0 3 356.835 2.534 20 5 FFBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1ccc2cnn(C)c2c1 ZINC000571491987 519120761 /nfs/dbraw/zinc/12/07/61/519120761.db2.gz BBESUHGTMJGLAW-CYBMUJFWSA-N 0 3 367.409 2.988 20 5 FFBDHN COc1ccc(-c2ccc(CN3CC[C@H]4CN(C)C[C@@H]43)o2)c([N+](=O)[O-])c1 ZINC000590052744 519137510 /nfs/dbraw/zinc/13/75/10/519137510.db2.gz KENXLDSQUBEHBK-UGSOOPFHSA-N 0 3 357.410 2.999 20 5 FFBDHN COc1cc(CN[C@H]2CC[C@@H](CO)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000590646772 519300284 /nfs/dbraw/zinc/30/02/84/519300284.db2.gz KLZCTDKPVHYQJF-BJHJDKERSA-N 0 3 374.384 2.888 20 5 FFBDHN CC[C@@H](C)N[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1ccco1 ZINC000577889333 519309406 /nfs/dbraw/zinc/30/94/06/519309406.db2.gz ZDSZCHWZYAPOGB-ZWNOBZJWSA-N 0 3 364.377 2.768 20 5 FFBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCN(c2ccncc2)CC1 ZINC000590684753 519314471 /nfs/dbraw/zinc/31/44/71/519314471.db2.gz ZXHKKSLCDLCJGG-UHFFFAOYSA-N 0 3 365.393 2.873 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000571875180 519321384 /nfs/dbraw/zinc/32/13/84/519321384.db2.gz YCUPJTCYZWCVMG-YWPYICTPSA-N 0 3 364.348 2.758 20 5 FFBDHN Cc1ccc(CN(C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)nc1 ZINC000590754695 519352372 /nfs/dbraw/zinc/35/23/72/519352372.db2.gz OUHOVMCRJHXYCA-UHFFFAOYSA-N 0 3 356.382 2.728 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1ccc(C)cn1 ZINC000590754976 519353459 /nfs/dbraw/zinc/35/34/59/519353459.db2.gz XLPAOOLMEGYHCA-UHFFFAOYSA-N 0 3 358.398 2.767 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000574946929 519416233 /nfs/dbraw/zinc/41/62/33/519416233.db2.gz GHACBOHOZRWEFN-AWEZNQCLSA-N 0 3 364.446 2.780 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602881311 519945484 /nfs/dbraw/zinc/94/54/84/519945484.db2.gz GKALNNQSFROIFG-HNNXBMFYSA-N 0 3 352.398 2.532 20 5 FFBDHN CCN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CCN(C)CC1 ZINC000599985851 519985325 /nfs/dbraw/zinc/98/53/25/519985325.db2.gz LUINAOXDSWOKSC-UHFFFAOYSA-N 0 3 374.485 2.754 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC(N2CCCOCC2)CC1 ZINC000600008111 519999509 /nfs/dbraw/zinc/99/95/09/519999509.db2.gz KZJQRCWXZILCEA-UHFFFAOYSA-N 0 3 361.442 2.539 20 5 FFBDHN CCN1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])n3C)c(C)c2)CC1 ZINC000612531185 520007376 /nfs/dbraw/zinc/00/73/76/520007376.db2.gz YZXUDLUZLIFKAV-UHFFFAOYSA-N 0 3 371.441 2.636 20 5 FFBDHN Cn1nnc2c1CC[C@@H](N[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C2 ZINC000594521183 520013842 /nfs/dbraw/zinc/01/38/42/520013842.db2.gz MIFKWBJSPQNLQO-OXQOHEQNSA-N 0 3 363.421 2.960 20 5 FFBDHN CC(C)(C)N1CC[C@@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000600092837 520040809 /nfs/dbraw/zinc/04/08/09/520040809.db2.gz JTPFQBKTVXBOAF-SNVBAGLBSA-N 0 3 370.247 2.960 20 5 FFBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000597606086 520131708 /nfs/dbraw/zinc/13/17/08/520131708.db2.gz ULSLRAGZARHXKS-LLVKDONJSA-N 0 3 370.247 2.914 20 5 FFBDHN CCc1ccc([C@@H](CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)N(C)C)cc1 ZINC000608811365 520135117 /nfs/dbraw/zinc/13/51/17/520135117.db2.gz NOVRHEHFZPYDKI-QGZVFWFLSA-N 0 3 373.457 2.508 20 5 FFBDHN O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H]1CCN1C1CCCCC1 ZINC000600229409 520139996 /nfs/dbraw/zinc/13/99/96/520139996.db2.gz ROFTXYCIJYHAAF-MRXNPFEDSA-N 0 3 360.458 2.920 20 5 FFBDHN C[S@](=O)[C@@H]1CCC[C@@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000594962575 520230318 /nfs/dbraw/zinc/23/03/18/520230318.db2.gz RTXKKJPOROWSJV-BRHMAQAHSA-N 0 3 362.398 2.976 20 5 FFBDHN Cc1ccc(CNCc2ccc(CN3CC[C@@H](O)C3)cc2)cc1[N+](=O)[O-] ZINC000594976282 520238788 /nfs/dbraw/zinc/23/87/88/520238788.db2.gz YIHRMRMDVRHTRA-LJQANCHMSA-N 0 3 355.438 2.760 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000595007479 520254411 /nfs/dbraw/zinc/25/44/11/520254411.db2.gz OEVJQLGTRDBTIL-CRAIPNDOSA-N 0 3 364.490 2.526 20 5 FFBDHN CN(CCCCN1CCCCC1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000603417283 520256564 /nfs/dbraw/zinc/25/65/64/520256564.db2.gz AUJRAOZPKVDIGV-UHFFFAOYSA-N 0 3 369.487 2.623 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000595046184 520268043 /nfs/dbraw/zinc/26/80/43/520268043.db2.gz JFZNARZLZMBORL-BYNSBNAKSA-N 0 3 351.447 2.752 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CCO[C@H](c2nccn2C)C1 ZINC000595051252 520270272 /nfs/dbraw/zinc/27/02/72/520270272.db2.gz MNEUVBNEFGHJTQ-AHIWAGSCSA-N 0 3 360.414 2.908 20 5 FFBDHN O=C(NC[C@H]1CCN1C1CCCC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000600469790 520278547 /nfs/dbraw/zinc/27/85/47/520278547.db2.gz KFQSEJDOZJAHIA-MRXNPFEDSA-N 0 3 369.425 2.527 20 5 FFBDHN O=C(NC[C@H]1CCN1C1CCCC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000600469381 520279735 /nfs/dbraw/zinc/27/97/35/520279735.db2.gz AJYGPZUIJFJJJC-CQSZACIVSA-N 0 3 370.409 2.595 20 5 FFBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1c(C2CC2)cnn1C ZINC000595076102 520282237 /nfs/dbraw/zinc/28/22/37/520282237.db2.gz DZZWFLCEWRBLEB-LBPRGKRZSA-N 0 3 357.414 2.713 20 5 FFBDHN CC(C)(C)N1CC[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000597922616 520325102 /nfs/dbraw/zinc/32/51/02/520325102.db2.gz JJOROEVSNABDLX-LBPRGKRZSA-N 0 3 370.247 2.960 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@](C)(CO)c1ccccc1 ZINC000609483813 520327011 /nfs/dbraw/zinc/32/70/11/520327011.db2.gz IINSWTSPEUPJPJ-IBGZPJMESA-N 0 3 357.410 2.729 20 5 FFBDHN N[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[C@H]1F ZINC000595231437 520363813 /nfs/dbraw/zinc/36/38/13/520363813.db2.gz URMXPFOGKLQVKN-NXEZZACHSA-N 0 3 350.272 2.517 20 5 FFBDHN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000595256137 520374549 /nfs/dbraw/zinc/37/45/49/520374549.db2.gz BJFGBGJXZPZSHL-SFHVURJKSA-N 0 3 371.393 2.663 20 5 FFBDHN CCN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@@H]1CCN(CC)C1 ZINC000598039032 520389965 /nfs/dbraw/zinc/38/99/65/520389965.db2.gz HOZKSWQBVJYHMD-GFCCVEGCSA-N 0 3 357.357 2.753 20 5 FFBDHN CNc1c(C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000613234403 520402502 /nfs/dbraw/zinc/40/25/02/520402502.db2.gz HHTMCIOVMBAAKX-INIZCTEOSA-N 0 3 368.437 2.983 20 5 FFBDHN NC[C@H]1c2ccccc2CCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000592567669 520458519 /nfs/dbraw/zinc/45/85/19/520458519.db2.gz VIHYTJMCFVGSOW-KRWDZBQOSA-N 0 3 357.435 2.772 20 5 FFBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000598265347 520529221 /nfs/dbraw/zinc/52/92/21/520529221.db2.gz SGNCOHUQPFKLAD-AWEZNQCLSA-N 0 3 356.426 2.993 20 5 FFBDHN COCC[C@@H]1CCCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000613503382 520532548 /nfs/dbraw/zinc/53/25/48/520532548.db2.gz QZYJAJBHOCHWDB-YJBOKZPZSA-N 0 3 361.442 2.839 20 5 FFBDHN CCCN1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000598343170 520567084 /nfs/dbraw/zinc/56/70/84/520567084.db2.gz TXAWPDLCWFZPTC-GFCCVEGCSA-N 0 3 370.247 2.500 20 5 FFBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595584472 520570576 /nfs/dbraw/zinc/57/05/76/520570576.db2.gz GLQLXVSSJLMBIU-CQSZACIVSA-N 0 3 368.865 2.963 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000610208563 520580190 /nfs/dbraw/zinc/58/01/90/520580190.db2.gz DQOOPSABZHCSHF-YPMHNXCESA-N 0 3 355.822 2.616 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)c1 ZINC000610298511 520627595 /nfs/dbraw/zinc/62/75/95/520627595.db2.gz WYDHZXGSHSQAEN-INIZCTEOSA-N 0 3 369.421 2.950 20 5 FFBDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000610297750 520628043 /nfs/dbraw/zinc/62/80/43/520628043.db2.gz PUPUABSRTINNGV-OAHLLOKOSA-N 0 3 372.400 2.663 20 5 FFBDHN C[C@H](CNCc1csc([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000601163363 520667732 /nfs/dbraw/zinc/66/77/32/520667732.db2.gz GZGZDDCFRVKKAA-LLVKDONJSA-N 0 3 354.453 2.953 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](CCO)C2CCCCC2)c1 ZINC000593019329 520687620 /nfs/dbraw/zinc/68/76/20/520687620.db2.gz AKUAEQRNPNBZME-MRXNPFEDSA-N 0 3 350.415 2.802 20 5 FFBDHN COC(=O)CC1(NCc2cc(C(=O)OC)ccc2[N+](=O)[O-])CCCCC1 ZINC000593023447 520689322 /nfs/dbraw/zinc/68/93/22/520689322.db2.gz UJLUAHCYWDNBRX-UHFFFAOYSA-N 0 3 364.398 2.737 20 5 FFBDHN CC(C)[C@@H]1CN(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)CCN1 ZINC000598577824 520721435 /nfs/dbraw/zinc/72/14/35/520721435.db2.gz XZOHYKQLNRWBNM-WBVHZDCISA-N 0 3 374.485 2.901 20 5 FFBDHN C[C@H](CN1CCC(C)CC1)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000595789892 520727173 /nfs/dbraw/zinc/72/71/73/520727173.db2.gz YJEBLZHYXCGISE-MRXNPFEDSA-N 0 3 362.474 2.899 20 5 FFBDHN Cc1ccc([C@@H](C)NC(=O)N2CCN(c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000610597032 520758917 /nfs/dbraw/zinc/75/89/17/520758917.db2.gz NOVHUBOSXXGPGR-OAHLLOKOSA-N 0 3 369.425 2.891 20 5 FFBDHN O=C1[C@H](N2C[C@]34COC[C@@]3(C2)CCCC4)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595909278 520815157 /nfs/dbraw/zinc/81/51/57/520815157.db2.gz LDMOJZSHHDKQKT-RLLQIKCJSA-N 0 3 371.437 2.593 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(CN(C)C)cc2OC)c1 ZINC000601620727 520868966 /nfs/dbraw/zinc/86/89/66/520868966.db2.gz KBYTXGPLXBDQDE-UHFFFAOYSA-N 0 3 359.382 2.926 20 5 FFBDHN C[C@@H](c1ccccc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596088645 520906071 /nfs/dbraw/zinc/90/60/71/520906071.db2.gz MUMLGSQUTRKNOV-BBRMVZONSA-N 0 3 354.410 2.941 20 5 FFBDHN O=[N+]([O-])c1cc(N2CCN([C@@H]3CCC[C@@H]3O)CC2)ccc1C(F)(F)F ZINC000596112271 520919421 /nfs/dbraw/zinc/91/94/21/520919421.db2.gz LUCNIVRMTIHCMX-HIFRSBDPSA-N 0 3 359.348 2.649 20 5 FFBDHN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CN1Cc1ccccc1 ZINC000596163477 520947446 /nfs/dbraw/zinc/94/74/46/520947446.db2.gz VMFJCWQTRWNBFJ-XJKSGUPXSA-N 0 3 354.410 2.769 20 5 FFBDHN O=[N+]([O-])c1cncc(Cl)c1N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000596168334 520948218 /nfs/dbraw/zinc/94/82/18/520948218.db2.gz QDUOJYYCEKOQGE-CYBMUJFWSA-N 0 3 354.838 2.724 20 5 FFBDHN COc1ccc(CNc2ccc(C(=O)NCCN(C)C)cc2)cc1[N+](=O)[O-] ZINC000598992178 520963946 /nfs/dbraw/zinc/96/39/46/520963946.db2.gz SQBOTOZKXPXDOO-UHFFFAOYSA-N 0 3 372.425 2.507 20 5 FFBDHN CC1(C)CCC[C@@](CO)(NCc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000598995698 520967760 /nfs/dbraw/zinc/96/77/60/520967760.db2.gz ZBLONORBKCDXSD-GOSISDBHSA-N 0 3 350.415 2.882 20 5 FFBDHN O=[N+]([O-])c1ccc2[nH]c(CN3CC[C@@H]4[C@H](CCCN4C4CC4)C3)nc2c1 ZINC000618288439 520983598 /nfs/dbraw/zinc/98/35/98/520983598.db2.gz PURCUXIFKJLTOG-FZKQIMNGSA-N 0 3 355.442 2.920 20 5 FFBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](CO)c1ccnn1C ZINC000599054308 521004227 /nfs/dbraw/zinc/00/42/27/521004227.db2.gz JCAOYLVGMFPVJW-OLZOCXBDSA-N 0 3 350.444 2.522 20 5 FFBDHN C[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000599064217 521009094 /nfs/dbraw/zinc/00/90/94/521009094.db2.gz LDCUISGQIHRWAT-QAPCUYQASA-N 0 3 369.469 2.605 20 5 FFBDHN COc1cc(CN2CC[C@@]3(C2)C(=O)Nc2ccccc23)ccc1[N+](=O)[O-] ZINC000614584054 521035410 /nfs/dbraw/zinc/03/54/10/521035410.db2.gz VKYXLBCDBIUNIF-IBGZPJMESA-N 0 3 353.378 2.699 20 5 FFBDHN CCOC(=O)c1ccnc(NC[C@@H]2CCN2C2CCCCC2)c1[N+](=O)[O-] ZINC000599126986 521043335 /nfs/dbraw/zinc/04/33/35/521043335.db2.gz KTPDVFMWKLGPIR-AWEZNQCLSA-N 0 3 362.430 2.985 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3CCOc4ccccc43)CC2)cn1 ZINC000611254454 521059863 /nfs/dbraw/zinc/05/98/63/521059863.db2.gz NHSMOMYAQMEBFU-HNNXBMFYSA-N 0 3 354.410 2.678 20 5 FFBDHN CCOc1cc(N2CCN(C[C@@H](OCC)C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000599390804 521194600 /nfs/dbraw/zinc/19/46/00/521194600.db2.gz QTEVERQHHYAWTI-LJQANCHMSA-N 0 3 363.458 2.931 20 5 FFBDHN CCN(Cc1cn(C)nc1[N+](=O)[O-])[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000602448273 521352321 /nfs/dbraw/zinc/35/23/21/521352321.db2.gz ICMYMDCATPMEAJ-CRAIPNDOSA-N 0 3 357.458 2.986 20 5 FFBDHN CCN(Cc1cn(C)nc1[N+](=O)[O-])[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000602448278 521352388 /nfs/dbraw/zinc/35/23/88/521352388.db2.gz ICMYMDCATPMEAJ-QAPCUYQASA-N 0 3 357.458 2.986 20 5 FFBDHN CCC1(N2CCOCC2)CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000599668617 521381850 /nfs/dbraw/zinc/38/18/50/521381850.db2.gz IKZLNUJLZSNMCR-UHFFFAOYSA-N 0 3 374.441 2.813 20 5 FFBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000594198651 521464471 /nfs/dbraw/zinc/46/44/71/521464471.db2.gz UIHDLABNHTWJSU-CHWSQXEVSA-N 0 3 369.368 2.943 20 5 FFBDHN O=[N+]([O-])c1ccc(CCNCc2ccncc2OC[C@H]2CCOC2)cc1 ZINC000602661669 521466252 /nfs/dbraw/zinc/46/62/52/521466252.db2.gz HRQSPQNPWCIQDR-INIZCTEOSA-N 0 3 357.410 2.737 20 5 FFBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594204005 521469095 /nfs/dbraw/zinc/46/90/95/521469095.db2.gz WJHNFRMIFVCGLA-FUHWJXTLSA-N 0 3 356.426 2.683 20 5 FFBDHN Nc1c(NC(=O)N2CC[C@@H](N3CCCCC3)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597091638 521497993 /nfs/dbraw/zinc/49/79/93/521497993.db2.gz AWCNSTYSFNXMFT-GFCCVEGCSA-N 0 3 367.837 2.923 20 5 FFBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H]1CCCc2c1cnn2CCO ZINC000615720640 521513456 /nfs/dbraw/zinc/51/34/56/521513456.db2.gz ZSPPAZDICIGKBJ-RXEWJAMOSA-N 0 3 356.426 2.854 20 5 FFBDHN O=[N+]([O-])c1ccc(NC2CC[NH+](C3CCCCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000823639696 606142993 /nfs/dbraw/zinc/14/29/93/606142993.db2.gz FTMLBUZSBOJLGP-UHFFFAOYSA-N 0 3 371.445 2.984 20 5 FFBDHN O=[N+]([O-])c1ccc(NC2CC[NH+](C3CCCCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000823639696 606142995 /nfs/dbraw/zinc/14/29/95/606142995.db2.gz FTMLBUZSBOJLGP-UHFFFAOYSA-N 0 3 371.445 2.984 20 5 FFBDHN C[NH+](C)[C@H](CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000821581885 606645530 /nfs/dbraw/zinc/64/55/30/606645530.db2.gz XKJOUDKYLHETQP-MRXNPFEDSA-N 0 3 371.376 2.629 20 5 FFBDHN O=[N+]([O-])c1ccc(Br)c2c1CN(c1ccnc(CO)c1)CC2 ZINC000858532485 730428269 /nfs/dbraw/zinc/42/82/69/730428269.db2.gz KUTGTCMMPQVWAN-UHFFFAOYSA-N 0 3 364.199 2.807 20 5 FFBDHN Cc1csc([C@H]2CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000880005886 732817317 /nfs/dbraw/zinc/81/73/17/732817317.db2.gz DSSVFENLICQCFG-DZGCQCFKSA-N 0 3 363.439 2.589 20 5 FFBDHN CCOc1ccc([C@@H](C)NCC[C@H]2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000883307000 733365306 /nfs/dbraw/zinc/36/53/06/733365306.db2.gz JYPNGSGVNYGXML-TZMCWYRMSA-N 0 3 356.444 2.611 20 5 FFBDHN CCCN(C(=O)Nc1ccc([N+](=O)[O-])c(OCC)c1)[C@H]1CCN(C)C1 ZINC000888831332 734103505 /nfs/dbraw/zinc/10/35/05/734103505.db2.gz JCGFAXFGKMWVCM-AWEZNQCLSA-N 0 3 350.419 2.942 20 5 FFBDHN O=[N+]([O-])c1ccc(Br)c2c1CN(c1ccncc1CO)CC2 ZINC000893733834 734744189 /nfs/dbraw/zinc/74/41/89/734744189.db2.gz BJOWTJZYPGJACA-UHFFFAOYSA-N 0 3 364.199 2.807 20 5 FFBDHN CS[C@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000901230423 735759102 /nfs/dbraw/zinc/75/91/02/735759102.db2.gz PMBDAKDRSIOKIQ-NEPJUHHUSA-N 0 3 361.826 2.505 20 5 FFBDHN CCN1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910282082 737052615 /nfs/dbraw/zinc/05/26/15/737052615.db2.gz RSAJGDAMTYSWFD-LLVKDONJSA-N 0 3 370.247 2.914 20 5 FFBDHN CC(C)(C)N1CCCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000778253696 738367089 /nfs/dbraw/zinc/36/70/89/738367089.db2.gz SEVJQERLRIUYJS-UHFFFAOYSA-N 0 3 363.443 2.546 20 5 FFBDHN O=[N+]([O-])c1ccn(CCN[C@H]2CCOc3ccc(Br)cc32)n1 ZINC000932209567 739405875 /nfs/dbraw/zinc/40/58/75/739405875.db2.gz VBDSFDHGSNAUCV-LBPRGKRZSA-N 0 3 367.203 2.667 20 5 FFBDHN O=[N+]([O-])c1cnn(CCN2CCC(Cc3nc4c(s3)CCC4)CC2)c1 ZINC000932626143 739480528 /nfs/dbraw/zinc/48/05/28/739480528.db2.gz PUYFSTCWZOECLX-UHFFFAOYSA-N 0 3 361.471 2.691 20 5 FFBDHN COC(=O)C[C@@H](NCc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000801539148 740628839 /nfs/dbraw/zinc/62/88/39/740628839.db2.gz CCAFDEGIQFWNCU-GFCCVEGCSA-N 0 3 357.204 2.789 20 5 FFBDHN CC(C)c1ccc(-n2cnnc2SCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813099848 741676843 /nfs/dbraw/zinc/67/68/43/741676843.db2.gz FISQTIQGCPFVGW-GFCCVEGCSA-N 0 3 364.427 2.691 20 5 FFBDHN CC(COC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1)[N+](=O)[O-] ZINC000813114253 741678962 /nfs/dbraw/zinc/67/89/62/741678962.db2.gz OKFVXKZHEKCTFW-VIFPVBQESA-N 0 3 350.762 2.620 20 5 FFBDHN N[C@H]1CCCc2cn(Cc3ccc(Br)c([N+](=O)[O-])c3)nc21 ZINC000818617621 742284342 /nfs/dbraw/zinc/28/43/42/742284342.db2.gz DSQGCUWJTRCADB-LBPRGKRZSA-N 0 3 351.204 2.938 20 5 FFBDHN COC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000824702232 743130208 /nfs/dbraw/zinc/13/02/08/743130208.db2.gz JXLRIZDDBQVUBE-PWSUYJOCSA-N 0 3 357.204 2.789 20 5 FFBDHN Cn1ccnc1[C@@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000825326268 743248678 /nfs/dbraw/zinc/24/86/78/743248678.db2.gz KZBLXVCTVWWZBE-WFASDCNBSA-N 0 3 350.806 2.992 20 5 FFBDHN COc1cc(Br)c(Cl)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000842801075 747692795 /nfs/dbraw/zinc/69/27/95/747692795.db2.gz ARVWRMQUEUAQET-LURJTMIESA-N 0 3 352.568 2.933 20 5 FFBDHN COCCN(CCN(C)C)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000843790693 747895363 /nfs/dbraw/zinc/89/53/63/747895363.db2.gz NFXZUHYRXHKAOY-UHFFFAOYSA-N 0 3 364.229 2.552 20 5 FFBDHN CC([C@H](OC(=O)[C@H](C)NC(=O)C(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845873083 748340629 /nfs/dbraw/zinc/34/06/29/748340629.db2.gz RNTJZUIMINYMDD-MJVIPROJSA-N 0 3 354.378 2.626 20 5 FFBDHN CC(=O)Nc1nc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cs1 ZINC000845874206 748341223 /nfs/dbraw/zinc/34/12/23/748341223.db2.gz YFQXJPGJWBPJIC-SDBXPKJASA-N 0 3 367.358 2.804 20 5 FFBDHN O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@H](N3CCOCC3)CC2)c1 ZINC000848929866 749037569 /nfs/dbraw/zinc/03/75/69/749037569.db2.gz KPZICXJDWCNZAM-HNNXBMFYSA-N 0 3 353.850 2.935 20 5 FFBDHN C[C@H](NC(=O)NC[C@H]1Cc2ccccc2CN1)c1ccccc1[N+](=O)[O-] ZINC000891751229 965015360 /nfs/dbraw/zinc/01/53/60/965015360.db2.gz RCIJWLIQVSAIKM-XJKSGUPXSA-N 0 3 354.410 2.670 20 5 FFBDHN COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1-n1nc(CN)c2ccccc21 ZINC001167701222 969674345 /nfs/dbraw/zinc/67/43/45/969674345.db2.gz NIUWALRIDBDOJW-UHFFFAOYSA-N 0 3 360.757 2.832 20 5 FFBDHN C[C@@H](CN1CCCCC1)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000027752253 975324292 /nfs/dbraw/zinc/32/42/92/975324292.db2.gz RYSXLJUHTNREQG-HNNXBMFYSA-N 0 3 360.458 2.799 20 5 FFBDHN C[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)N1CCCC1 ZINC000046408528 984675882 /nfs/dbraw/zinc/67/58/82/984675882.db2.gz DVXMOMWDMLVFEK-MRXNPFEDSA-N 0 3 363.461 2.755 20 5 FFBDHN CCCCN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000914789002 987911182 /nfs/dbraw/zinc/91/11/82/987911182.db2.gz VDMLDEDCRVXDOH-UHFFFAOYSA-N 0 3 360.458 2.508 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3C[C@H](O)C34CCOCC4)o2)cc1 ZINC000923022031 990793873 /nfs/dbraw/zinc/79/38/73/990793873.db2.gz VYZAPHBBFBLKFG-MSOLQXFVSA-N 0 3 358.394 2.874 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2ccc(CN[C@H]3C[C@@H](O)C34CCOCC4)o2)c1 ZINC000923017385 990794698 /nfs/dbraw/zinc/79/46/98/990794698.db2.gz AQLPMMLAIMIJAH-ZWKOTPCHSA-N 0 3 358.394 2.874 20 5 FFBDHN CC(COC(=O)C1C[C@H]2CCC[C@@H](C1)C2NC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000813107666 995624443 /nfs/dbraw/zinc/62/44/43/995624443.db2.gz QCFGZNFWJGOGII-DYALKNRASA-N 0 3 370.446 2.914 20 5 FFBDHN CC([C@@H](OC(=O)CN1Cc2ccccc2C1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845875942 998677063 /nfs/dbraw/zinc/67/70/63/998677063.db2.gz OIUDBWVPRXSIFW-KZULUSFZSA-N 0 3 372.352 2.731 20 5 FFBDHN CC([C@H](OC(=O)CN1CCCCCCC1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845878813 998677750 /nfs/dbraw/zinc/67/77/50/998677750.db2.gz WDBBREWUESUFMX-ACJLOTCBSA-N 0 3 366.389 2.868 20 5 FFBDHN CC[C@H]1CCCCN1CCNc1c([N+](=O)[O-])cc(CO)c(C)c1[N+](=O)[O-] ZINC000733301987 998951360 /nfs/dbraw/zinc/95/13/60/998951360.db2.gz FYEQBDLHSHKHFI-AWEZNQCLSA-N 0 3 366.418 2.980 20 5 FFBDHN COc1cccc(C(=O)N(CCc2ccccc2)CCN(C)C)c1[N+](=O)[O-] ZINC000766407294 999990769 /nfs/dbraw/zinc/99/07/69/999990769.db2.gz GYVMQFSUPPMTHL-UHFFFAOYSA-N 0 3 371.437 2.850 20 5 FFBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCN(c3ncccc3C(F)(F)F)CC2)C1 ZINC001169006823 1000014958 /nfs/dbraw/zinc/01/49/58/1000014958.db2.gz JKPOIRUHFQWICT-QWHCGFSZSA-N 0 3 358.364 2.668 20 5 FFBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1cc(N(C)C)ccn1 ZINC001183847221 1002409933 /nfs/dbraw/zinc/40/99/33/1002409933.db2.gz XZXXBZDWWBPLJJ-ZDUSSCGKSA-N 0 3 357.414 2.563 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000791395356 1002689600 /nfs/dbraw/zinc/68/96/00/1002689600.db2.gz RQTYWCKWLFZGDE-YVEFUNNKSA-N 0 3 372.400 2.566 20 5 FFBDHN COc1ccc(C[C@H](C)NCc2ccc(OC)nc2OC)c([N+](=O)[O-])c1 ZINC001170318257 1003108419 /nfs/dbraw/zinc/10/84/19/1003108419.db2.gz NZAWYAIUXLKOAA-LBPRGKRZSA-N 0 3 361.398 2.736 20 5 FFBDHN O=C(O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CCN(C2CC2)CC1 ZINC000805897702 1004173237 /nfs/dbraw/zinc/17/32/37/1004173237.db2.gz VSWPOFXPSZFJQX-HZPDHXFCSA-N 0 3 362.430 2.693 20 5 FFBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000110349687 1005931256 /nfs/dbraw/zinc/93/12/56/1005931256.db2.gz IPZGDPYAGZHPIJ-CYBMUJFWSA-N 0 3 372.381 2.753 20 5 FFBDHN CC(C)n1cc(C2=CCCN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)nn1 ZINC000852133685 1005944136 /nfs/dbraw/zinc/94/41/36/1005944136.db2.gz AMMOVHHRPGPSRV-LJQANCHMSA-N 0 3 371.441 2.980 20 5 FFBDHN CC(C)[C@@H](C)NC(=O)C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776580948 1005961288 /nfs/dbraw/zinc/96/12/88/1005961288.db2.gz AIIODEDASDBEMY-RDTXWAMCSA-N 0 3 363.458 2.501 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@@H](Cn2cccn2)c2ccccc2)cc1 ZINC000776590089 1006004100 /nfs/dbraw/zinc/00/41/00/1006004100.db2.gz CBDHCVMFTJEXCU-OALUTQOASA-N 0 3 352.394 2.856 20 5 FFBDHN COC(=O)[C@H](C)[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000776591429 1006006219 /nfs/dbraw/zinc/00/62/19/1006006219.db2.gz MHOGRPMFEABMCZ-BVGQSLNGSA-N 0 3 358.394 2.768 20 5 FFBDHN CCN1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000110998307 1006249507 /nfs/dbraw/zinc/24/95/07/1006249507.db2.gz ZZBALOBNTHOAHP-MRXNPFEDSA-N 0 3 360.458 2.799 20 5 FFBDHN CC(=O)c1c([N+](=O)[O-])cccc1N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000882139857 1006306584 /nfs/dbraw/zinc/30/65/84/1006306584.db2.gz BYUZXYFULQXBAY-UHFFFAOYSA-N 0 3 374.485 2.792 20 5 FFBDHN CC(=O)c1c(NCc2ccccc2CN2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000882171849 1006311702 /nfs/dbraw/zinc/31/17/02/1006311702.db2.gz MBMQHHCYZVNCJE-KRWDZBQOSA-N 0 3 369.421 2.976 20 5 FFBDHN O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)c1cc([N+](=O)[O-])ccc1F ZINC000854572773 1006897878 /nfs/dbraw/zinc/89/78/78/1006897878.db2.gz GPDLQGHYHYCRCO-OAHLLOKOSA-N 0 3 359.357 2.553 20 5 FFBDHN O=C1N(CN2CCC[C@H]2C2CCOCC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000776768838 1007058698 /nfs/dbraw/zinc/05/86/98/1007058698.db2.gz NWOXVJUMCMEHMB-INIZCTEOSA-N 0 3 374.441 2.685 20 5 FFBDHN CC[C@@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000113438170 1007406531 /nfs/dbraw/zinc/40/65/31/1007406531.db2.gz RJFHZUVNQBPQBU-CQSZACIVSA-N 0 3 364.402 2.806 20 5 FFBDHN C[C@H](CN1CCC(C)CC1)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000855899415 1007629843 /nfs/dbraw/zinc/62/98/43/1007629843.db2.gz LGPULLWHTJJEKW-CYBMUJFWSA-N 0 3 355.385 2.923 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCc2ccc(OCC(F)(F)F)nc2)cc1 ZINC000818957157 1007994323 /nfs/dbraw/zinc/99/43/23/1007994323.db2.gz RGJPOQIKZNQPSD-AWEZNQCLSA-N 0 3 371.315 2.754 20 5 FFBDHN CCN(C)c1ccccc1CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000819034212 1008028078 /nfs/dbraw/zinc/02/80/78/1008028078.db2.gz WZTJPFOBJSFMSD-MRXNPFEDSA-N 0 3 359.426 2.580 20 5 FFBDHN Cc1cc(N2CCN(C)CC2)ccc1NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819398022 1008115987 /nfs/dbraw/zinc/11/59/87/1008115987.db2.gz OEZPLINXDUNAJJ-FQEVSTJZSA-N 0 3 370.453 2.801 20 5 FFBDHN CCN1CCN([C@H](C)CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000859356385 1008506135 /nfs/dbraw/zinc/50/61/35/1008506135.db2.gz XMPYUTVOEVLUEF-OAHLLOKOSA-N 0 3 370.453 2.504 20 5 FFBDHN C[C@H](N[C@H]1CCc2ccccc2OC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000509520286 1009533107 /nfs/dbraw/zinc/53/31/07/1009533107.db2.gz CHOMXCUOLPDUSM-BBRMVZONSA-N 0 3 355.394 2.905 20 5 FFBDHN CCCN(C(=O)c1cc([N+](=O)[O-])n[nH]1)C1CCN(Cc2ccccc2)CC1 ZINC000889489703 1009990243 /nfs/dbraw/zinc/99/02/43/1009990243.db2.gz UVAHBZQRYBRBDD-UHFFFAOYSA-N 0 3 371.441 2.835 20 5 FFBDHN COc1cccc([C@H](CNc2cc(F)c([N+](=O)[O-])cc2CO)N(C)C)c1 ZINC000865407384 1010776714 /nfs/dbraw/zinc/77/67/14/1010776714.db2.gz HKTVOIIXRFUFCM-SFHVURJKSA-N 0 3 363.389 2.950 20 5 FFBDHN COCCOc1ncccc1CN[C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866232385 1010956130 /nfs/dbraw/zinc/95/61/30/1010956130.db2.gz DXGFARLJOXURBT-ZDUSSCGKSA-N 0 3 363.389 2.875 20 5 FFBDHN Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001171836231 1011498576 /nfs/dbraw/zinc/49/85/76/1011498576.db2.gz SGWQRRWYLGGZPW-KRWDZBQOSA-N 0 3 368.437 2.962 20 5 FFBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CCN(C(=O)c3ccco3)[C@@H]2C1 ZINC001173223250 1012355390 /nfs/dbraw/zinc/35/53/90/1012355390.db2.gz AMBURFQUUOITPN-QILLFSRXSA-N 0 3 369.421 2.965 20 5 FFBDHN CC([C@@H](OC(=O)/C=C\COC1CCOCC1)c1ccccc1F)[N+](=O)[O-] ZINC000870454889 1012390320 /nfs/dbraw/zinc/39/03/20/1012390320.db2.gz QFZBIWZTOKXWJW-XJDOMRLPSA-N 0 3 367.373 2.827 20 5 FFBDHN COCCn1ncc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c1C ZINC000870455313 1012392369 /nfs/dbraw/zinc/39/23/69/1012392369.db2.gz WXSAVNQYOXOAED-WBMJQRKESA-N 0 3 365.361 2.540 20 5 FFBDHN CN1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CCC1(C)C ZINC000871157663 1012757642 /nfs/dbraw/zinc/75/76/42/1012757642.db2.gz CQPLVRVWWAYEMK-UHFFFAOYSA-N 0 3 357.414 2.541 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000930861692 1020215588 /nfs/dbraw/zinc/21/55/88/1020215588.db2.gz FWZVRIYCSIDRJM-OAHLLOKOSA-N 0 3 362.430 2.586 20 5 FFBDHN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000016599430 1022281629 /nfs/dbraw/zinc/28/16/29/1022281629.db2.gz SXGBBQJAPJXTNY-KRWDZBQOSA-N 0 3 372.381 2.844 20 5 FFBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@@H]32)n1 ZINC000756624642 1023736539 /nfs/dbraw/zinc/73/65/39/1023736539.db2.gz BMSIWOMFRRLRQT-HOCLYGCPSA-N 0 3 369.425 2.568 20 5 FFBDHN COc1cccc(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)c1[N+](=O)[O-] ZINC000192456037 1024169481 /nfs/dbraw/zinc/16/94/81/1024169481.db2.gz RUOFDIPAJMNZLD-MRXNPFEDSA-N 0 3 357.410 2.945 20 5 FFBDHN NCc1ccnn1-c1nnc(-c2ccccc2[N+](=O)[O-])cc1C(F)(F)F ZINC001162592506 1028590844 /nfs/dbraw/zinc/59/08/44/1028590844.db2.gz HOQPRBAZFIFIOB-UHFFFAOYSA-N 0 3 364.287 2.715 20 5 FFBDHN C[C@@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000780763426 1028798899 /nfs/dbraw/zinc/79/88/99/1028798899.db2.gz BZCASKLTVYQNMG-YJBOKZPZSA-N 0 3 357.458 2.882 20 5 FFBDHN Cc1cc([N+](=O)[O-])cnc1N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001165908699 1030165958 /nfs/dbraw/zinc/16/59/58/1030165958.db2.gz MZZCYUOLBMVORX-UHFFFAOYSA-N 0 3 356.430 2.547 20 5 FFBDHN O=C1N(CN2CCC[C@H]2[C@@H]2CCCOC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000842620099 1030835836 /nfs/dbraw/zinc/83/58/36/1030835836.db2.gz YRTATGJDMZCBII-CVEARBPZSA-N 0 3 374.441 2.685 20 5 FFBDHN CC(C)C(=O)N[C@@H]1[C@H]2CN(Cc3ccc4ccc5cccnc5c4n3)C[C@H]21 ZINC001232222781 1035503573 /nfs/dbraw/zinc/50/35/73/1035503573.db2.gz QNMHWZGOLFPJOG-WGMWDUQUSA-N 0 3 360.461 2.985 20 5 FFBDHN CN1CCC[C@H](Oc2ccc([N+](=O)[O-])c(I)c2)C1 ZINC001227992476 1035856749 /nfs/dbraw/zinc/85/67/49/1035856749.db2.gz RJMRFJFPPDPGIC-JTQLQIEISA-N 0 3 362.167 2.672 20 5 FFBDHN COc1cc(N2CCC(NC3(c4cnccn4)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256092749 1038376391 /nfs/dbraw/zinc/37/63/91/1038376391.db2.gz YSZNVOUWNPBZGK-UHFFFAOYSA-N 0 3 369.425 2.641 20 5 FFBDHN CN(C)c1ccc(-c2noc(C[C@@H](N)c3ccccc3[N+](=O)[O-])n2)cc1 ZINC001249342805 1040692062 /nfs/dbraw/zinc/69/20/62/1040692062.db2.gz QQHOJODFWXJGBF-OAHLLOKOSA-N 0 3 353.382 2.953 20 5 FFBDHN Cc1noc(C[C@@H]2C[C@H]3CN([C@@H](C)Cc4ccccc4[N+](=O)[O-])C[C@H]3O2)n1 ZINC001254559479 1040798084 /nfs/dbraw/zinc/79/80/84/1040798084.db2.gz YCZIQSSZCPURCD-VYSRMENRSA-N 0 3 372.425 2.549 20 5 FFBDHN Cc1cncnc1O[C@@H]1CCCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612417 1040842083 /nfs/dbraw/zinc/84/20/83/1040842083.db2.gz WEDBVAWMABQSAQ-QZTJIDSGSA-N 0 3 354.410 2.704 20 5 FFBDHN COc1c(F)nccc1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC001263534853 1042359322 /nfs/dbraw/zinc/35/93/22/1042359322.db2.gz LESKGJDKLOHHJC-NOZJJQNGSA-N 0 3 352.293 2.932 20 5 FFBDHN O=C(Nc1ccc2c(c1)CNCCO2)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001341785595 1050398224 /nfs/dbraw/zinc/39/82/24/1050398224.db2.gz CNLZEDUDOVKJGS-DLBZAZTESA-N 0 3 353.378 2.819 20 5 FFBDHN C[C@H]1CCC[C@@H](CN(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001307851206 1052357297 /nfs/dbraw/zinc/35/72/97/1052357297.db2.gz MKCMRTSWOQVGEZ-LSDHHAIUSA-N 0 3 369.487 2.631 20 5 FFBDHN C[C@@](CO)(Cc1ccc(F)cc1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001308116851 1052410511 /nfs/dbraw/zinc/41/05/11/1052410511.db2.gz FIZKAFZGWJAFJP-SFHVURJKSA-N 0 3 358.373 2.694 20 5 FFBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CC[C@@H]2[C@H]1CCCN2CCO ZINC001308140013 1052415624 /nfs/dbraw/zinc/41/56/24/1052415624.db2.gz IXTRLTFLSGXLDB-HUUCEWRRSA-N 0 3 374.268 2.933 20 5 FFBDHN CC(COC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)[N+](=O)[O-] ZINC001345776738 1052608611 /nfs/dbraw/zinc/60/86/11/1052608611.db2.gz PUEWUBFOWLANAJ-LBPRGKRZSA-N 0 3 364.398 2.802 20 5 FFBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001309403678 1052612764 /nfs/dbraw/zinc/61/27/64/1052612764.db2.gz YABMQNYOYJWLHH-UHFFFAOYSA-N 0 3 373.450 2.539 20 5 FFBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@@H]3CCC[C@H](C(F)(F)F)O3)CC2)n1 ZINC001351413600 1056252395 /nfs/dbraw/zinc/25/23/95/1056252395.db2.gz HRTMDKJQSCVYFN-QWHCGFSZSA-N 0 3 362.352 2.928 20 5 FFBDHN C[C@H](C(=O)OC[C@H]1CCN1C1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC001520069485 1059374461 /nfs/dbraw/zinc/37/44/61/1059374461.db2.gz RAYRNTCJXCILSU-SWLSCSKDSA-N 0 3 366.389 2.634 20 5 FFBDHN CCOC(=O)C[C@](C)(NCc1cc(C(=O)OC)ccc1[N+](=O)[O-])C(C)C ZINC001459993937 1060869242 /nfs/dbraw/zinc/86/92/42/1060869242.db2.gz HLOCWECQJOOQKW-SFHVURJKSA-N 0 3 366.414 2.839 20 5 FFBDHN O=[N+]([O-])c1cc(I)cc(CN[C@@H]2C[C@@H]3CC[C@H]2O3)c1 ZINC001461835454 1061421322 /nfs/dbraw/zinc/42/13/22/1061421322.db2.gz IZTMWJXJFJKATO-YNEHKIRRSA-N 0 3 374.178 2.609 20 5 FFBDHN C[C@@H]1NCCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)[C@H]1C ZINC001576893246 1078284593 /nfs/dbraw/zinc/28/45/93/1078284593.db2.gz FEPLVHKWIHDOPK-BQBZGAKWSA-N 0 3 350.177 2.863 20 5 FFBDHN O=C(Nc1ccc([C@H]2CNCCO2)cc1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001580765883 1078855921 /nfs/dbraw/zinc/85/59/21/1078855921.db2.gz YYVQMEYUSAAHGX-IPMKNSEASA-N 0 3 367.405 2.998 20 5 FFBDHN COc1ccccc1C[C@](C)(CO)NCc1ccc([N+](=O)[O-])cc1OC ZINC001560102522 1076226989 /nfs/dbraw/zinc/22/69/89/1076226989.db2.gz QIBQLFXINZVTHC-LJQANCHMSA-N 0 3 360.410 2.695 20 5 FFBDHN CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3cc(OC)c([O-])cc3[N+](=O)[O-])C2)n1 ZINC001560608769 1076283311 /nfs/dbraw/zinc/28/33/11/1076283311.db2.gz DNQXMPIUTZNVIM-PWSUYJOCSA-N 0 3 362.386 2.680 20 5 FFBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC001561350439 1076366557 /nfs/dbraw/zinc/36/65/57/1076366557.db2.gz KNHKNPNTDANAFQ-MGPQQGTHSA-N 0 3 369.487 2.548 20 5 FFBDHN C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590226602 1081106852 /nfs/dbraw/zinc/10/68/52/1081106852.db2.gz DMHWNHPAEUULGD-VNHYZAJKSA-N 0 3 371.445 2.617 20 5 FFBDHN C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590226602 1081106855 /nfs/dbraw/zinc/10/68/55/1081106855.db2.gz DMHWNHPAEUULGD-VNHYZAJKSA-N 0 3 371.445 2.617 20 5 FFBDHN C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590226602 1081106857 /nfs/dbraw/zinc/10/68/57/1081106857.db2.gz DMHWNHPAEUULGD-VNHYZAJKSA-N 0 3 371.445 2.617 20 5 FFBDHN C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590226602 1081106860 /nfs/dbraw/zinc/10/68/60/1081106860.db2.gz DMHWNHPAEUULGD-VNHYZAJKSA-N 0 3 371.445 2.617 20 5 FFBDHN CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1(C(N)=O)CCCC1 ZINC000093211629 250024583 /nfs/dbraw/zinc/02/45/83/250024583.db2.gz OLOCMHLVIVWDTO-UHFFFAOYSA-N 0 3 358.398 2.522 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000106891575 250297444 /nfs/dbraw/zinc/29/74/44/250297444.db2.gz DABJBDNIDGFLBM-LBPRGKRZSA-N 0 3 373.862 2.543 20 5 FFBDHN CCc1n[nH]c(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000192571676 251290302 /nfs/dbraw/zinc/29/03/02/251290302.db2.gz CMEBEWVNHQQVEP-UHFFFAOYSA-N 0 3 371.441 2.617 20 5 FFBDHN CN(C)CCN(Cc1ccco1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000268072663 251366555 /nfs/dbraw/zinc/36/65/55/251366555.db2.gz ZZXTZDGWCNYKAB-UHFFFAOYSA-N 0 3 356.382 2.873 20 5 FFBDHN C[C@@H]1C[C@H](N(C)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000272465976 252045695 /nfs/dbraw/zinc/04/56/95/252045695.db2.gz HPGXGZIUZJQBKJ-IUODEOHRSA-N 0 3 368.865 2.915 20 5 FFBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)[C@H]2C1 ZINC000272697277 252106877 /nfs/dbraw/zinc/10/68/77/252106877.db2.gz YATUKULQLRCZTN-YGRLFVJLSA-N 0 3 368.231 2.524 20 5 FFBDHN CN(C)C(C)(C)CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000277214619 256173205 /nfs/dbraw/zinc/17/32/05/256173205.db2.gz ZLPWDYBXKWCQQC-UHFFFAOYSA-N 0 3 365.821 2.546 20 5 FFBDHN CCOC(=O)[C@@H]1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000278677198 256337183 /nfs/dbraw/zinc/33/71/83/256337183.db2.gz LZPFIQOYHMUCKQ-YRGRVCCFSA-N 0 3 360.414 2.929 20 5 FFBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000279156469 256387793 /nfs/dbraw/zinc/38/77/93/256387793.db2.gz FTRVZSABSGBNMS-UHFFFAOYSA-N 0 3 372.400 2.711 20 5 FFBDHN COCc1nc2n(n1)C[C@@H](N[C@H]1CC(C)(C)c3ccc([N+](=O)[O-])cc31)CC2 ZINC000279171551 256389270 /nfs/dbraw/zinc/38/92/70/256389270.db2.gz UUQWUQQZTGTZEZ-LRDDRELGSA-N 0 3 371.441 2.660 20 5 FFBDHN Cc1ccc(NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000278807131 256350367 /nfs/dbraw/zinc/35/03/67/256350367.db2.gz RYJAZQTZEUGOPI-AWEZNQCLSA-N 0 3 362.430 2.620 20 5 FFBDHN O=[N+]([O-])c1cnn(CCN[C@H](CCO)c2ccc(Cl)c(Cl)c2)c1 ZINC000285558907 256992503 /nfs/dbraw/zinc/99/25/03/256992503.db2.gz MXNOFIKWIVIXLR-CQSZACIVSA-N 0 3 359.213 2.811 20 5 FFBDHN CC(C)NC(=O)c1ccc(N2C[C@@H](N3CCCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000286447014 257037738 /nfs/dbraw/zinc/03/77/38/257037738.db2.gz SZXMXZFOOUIZGG-ZBFHGGJFSA-N 0 3 360.458 2.796 20 5 FFBDHN Cc1c(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000288550580 257203857 /nfs/dbraw/zinc/20/38/57/257203857.db2.gz VNHVYTPADQYJDI-BXUZGUMPSA-N 0 3 362.386 2.510 20 5 FFBDHN O=[N+]([O-])c1ccccc1NCCc1noc(C2CCN(C3CC3)CC2)n1 ZINC000289070913 257253896 /nfs/dbraw/zinc/25/38/96/257253896.db2.gz GXPWGOFNHLUHQK-UHFFFAOYSA-N 0 3 357.414 2.974 20 5 FFBDHN CC(C)(C(=O)Nc1ccc2c(c1)CNCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000291072879 257379044 /nfs/dbraw/zinc/37/90/44/257379044.db2.gz NCGZHOBYKPMOJV-UHFFFAOYSA-N 0 3 355.394 2.993 20 5 FFBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)CNCCO2 ZINC000291067859 257379196 /nfs/dbraw/zinc/37/91/96/257379196.db2.gz MFFUORZUUUWFKJ-UHFFFAOYSA-N 0 3 370.409 2.908 20 5 FFBDHN Cc1c(CO)cc([N+](=O)[O-])c(NCCN2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000301075350 258023165 /nfs/dbraw/zinc/02/31/65/258023165.db2.gz GDEXBDKDABDXTP-NSHDSACASA-N 0 3 352.391 2.590 20 5 FFBDHN NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000301121336 258026799 /nfs/dbraw/zinc/02/67/99/258026799.db2.gz WUTCWOYMYFXZFH-HNNXBMFYSA-N 0 3 369.425 2.555 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCN(c3ccncc3)CC2)c(OC(F)F)c1 ZINC000302152318 258091743 /nfs/dbraw/zinc/09/17/43/258091743.db2.gz KYHOJEMBROCRIB-UHFFFAOYSA-N 0 3 350.325 2.918 20 5 FFBDHN O=[N+]([O-])c1cnc(Nc2cccc(N3CCN(CC4CC4)CC3)c2)nc1 ZINC000302180833 258093497 /nfs/dbraw/zinc/09/34/97/258093497.db2.gz ZKUAGEYFBSLROM-UHFFFAOYSA-N 0 3 354.414 2.660 20 5 FFBDHN CN1C[C@@H]2CN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000302861024 258112807 /nfs/dbraw/zinc/11/28/07/258112807.db2.gz PHZINMPTCGOYFZ-CALCHBBNSA-N 0 3 351.406 2.824 20 5 FFBDHN Cc1nn(C)c(N2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC000312058467 258115671 /nfs/dbraw/zinc/11/56/71/258115671.db2.gz GSQSCKPGJXWNCR-IRXDYDNUSA-N 0 3 355.442 2.595 20 5 FFBDHN CN(C)[C@@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)c1cccs1 ZINC000301614359 258059075 /nfs/dbraw/zinc/05/90/75/258059075.db2.gz UMCBSDAUNQJAHR-ZDUSSCGKSA-N 0 3 362.411 2.702 20 5 FFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)CCN1CCCC1 ZINC000330479768 258164859 /nfs/dbraw/zinc/16/48/59/258164859.db2.gz MTAABSHIPFVEEE-UHFFFAOYSA-N 0 3 370.247 2.834 20 5 FFBDHN C[C@H]1CCCN(c2ccc(C(=O)N3CCC[C@@H]3CN(C)C)cc2[N+](=O)[O-])C1 ZINC000332408089 258229447 /nfs/dbraw/zinc/22/94/47/258229447.db2.gz DFMYYZPXSPUGOF-DOTOQJQBSA-N 0 3 374.485 2.997 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1C ZINC000332656356 258239459 /nfs/dbraw/zinc/23/94/59/258239459.db2.gz JQUOXJYLIIKZTB-AAEUAGOBSA-N 0 3 360.439 2.931 20 5 FFBDHN Cc1noc([C@H]2CCCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000052862429 506268420 /nfs/dbraw/zinc/26/84/20/506268420.db2.gz KXIHUJZNKMGKKU-AWEZNQCLSA-N 0 3 373.413 2.803 20 5 FFBDHN O=C1Nc2ccccc2[C@@]12CCN(CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000375311671 512262234 /nfs/dbraw/zinc/26/22/34/512262234.db2.gz XSFCIVVFESZROD-IBGZPJMESA-N 0 3 353.378 2.569 20 5 FFBDHN CNC(=O)c1ccc(N[C@@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000053550757 506402445 /nfs/dbraw/zinc/40/24/45/506402445.db2.gz RSVIBEFCSXLUEG-MRXNPFEDSA-N 0 3 354.410 2.641 20 5 FFBDHN C[C@@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1C ZINC000041488274 506525970 /nfs/dbraw/zinc/52/59/70/506525970.db2.gz GENIVHUUFMKSFQ-CABCVRRESA-N 0 3 363.462 2.569 20 5 FFBDHN C[C@@H]1CNCCN1c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000054375246 506546740 /nfs/dbraw/zinc/54/67/40/506546740.db2.gz PRVGTXAWQSIIJO-SECBINFHSA-N 0 3 351.204 2.704 20 5 FFBDHN C[C@H](N[C@H]1CCO[C@H]1C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000373811850 512517943 /nfs/dbraw/zinc/51/79/43/512517943.db2.gz GGXKNUOBTARGRJ-LNHVQRHZSA-N 0 3 353.806 2.732 20 5 FFBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000008122304 506623568 /nfs/dbraw/zinc/62/35/68/506623568.db2.gz PZJROTUFIPNRPC-AWEZNQCLSA-N 0 3 372.450 2.819 20 5 FFBDHN CC(C)N1CCCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000068776208 507319303 /nfs/dbraw/zinc/31/93/03/507319303.db2.gz SYBJZSARKRQJRM-UHFFFAOYSA-N 0 3 371.441 2.552 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCC[N@@H+](C)C1CCCCC1 ZINC000058560553 507437178 /nfs/dbraw/zinc/43/71/78/507437178.db2.gz YPNACQFRNJBSAS-UHFFFAOYSA-N 0 3 369.487 2.836 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCC[N@H+](C)C1CCCCC1 ZINC000058560553 507437181 /nfs/dbraw/zinc/43/71/81/507437181.db2.gz YPNACQFRNJBSAS-UHFFFAOYSA-N 0 3 369.487 2.836 20 5 FFBDHN CN(C)Cc1cccc(CNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000028399776 507723117 /nfs/dbraw/zinc/72/31/17/507723117.db2.gz UQOFVKJCBJACFA-UHFFFAOYSA-N 0 3 371.441 2.568 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCN(C)Cc2ccccc2)c1 ZINC000063697782 507760609 /nfs/dbraw/zinc/76/06/09/507760609.db2.gz QCNORZBGPADBSR-UHFFFAOYSA-N 0 3 371.437 2.920 20 5 FFBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCc3ccc4c(c3)CCO4)C2)nc1 ZINC000072665289 507840494 /nfs/dbraw/zinc/84/04/94/507840494.db2.gz NKDZEGWFHSGXHX-MRXNPFEDSA-N 0 3 354.410 2.654 20 5 FFBDHN C[C@@H](NCc1ccc(C(=O)NCCN(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000090038819 507903855 /nfs/dbraw/zinc/90/38/55/507903855.db2.gz NJNPKBNXGPKTOR-OAHLLOKOSA-N 0 3 370.453 2.737 20 5 FFBDHN CN(C)[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1cccs1 ZINC000078923441 507916818 /nfs/dbraw/zinc/91/68/18/507916818.db2.gz YHAFNWTXLIHQDW-CYBMUJFWSA-N 0 3 359.411 2.565 20 5 FFBDHN Cc1ccc([C@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000109289890 507953063 /nfs/dbraw/zinc/95/30/63/507953063.db2.gz DQTVCWSEPFBVDM-SFHVURJKSA-N 0 3 357.410 2.701 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCN(CC(F)F)CC1 ZINC000091084216 507953100 /nfs/dbraw/zinc/95/31/00/507953100.db2.gz XRCGGVHBAXDIQE-UHFFFAOYSA-N 0 3 370.400 2.505 20 5 FFBDHN Cc1cc(C)cc(C2=CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000092427360 508070342 /nfs/dbraw/zinc/07/03/42/508070342.db2.gz QLEIYLLKAQLDDC-LJQANCHMSA-N 0 3 356.426 2.558 20 5 FFBDHN CN1CCC[C@@H](N2CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)C1 ZINC000080641000 508091242 /nfs/dbraw/zinc/09/12/42/508091242.db2.gz AMPFPOQBDYQXMC-CQSZACIVSA-N 0 3 372.391 2.830 20 5 FFBDHN Cc1ccc(S(=O)(=O)[N-]CCCCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000111357585 508093253 /nfs/dbraw/zinc/09/32/53/508093253.db2.gz RWKZCZUCWLRDOC-UHFFFAOYSA-N 0 3 369.487 2.838 20 5 FFBDHN C[C@@H](c1cccnc1)N(C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000093226768 508129420 /nfs/dbraw/zinc/12/94/20/508129420.db2.gz XSPPZFCKFPRJLT-ZDUSSCGKSA-N 0 3 356.382 2.981 20 5 FFBDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000081128605 508141300 /nfs/dbraw/zinc/14/13/00/508141300.db2.gz AHDARXLHQWNPLE-KRWDZBQOSA-N 0 3 369.421 2.707 20 5 FFBDHN COc1cc(C(=O)N(CCN(C)C)C2CCCC2)c([N+](=O)[O-])cc1OC ZINC000081551897 508188177 /nfs/dbraw/zinc/18/81/77/508188177.db2.gz UOIWDFZJNKYVCB-UHFFFAOYSA-N 0 3 365.430 2.558 20 5 FFBDHN CC(C)(C)C(=O)NC[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000112699746 508210436 /nfs/dbraw/zinc/21/04/36/508210436.db2.gz ZMTREGAVZRIVTI-HNNXBMFYSA-N 0 3 363.458 2.848 20 5 FFBDHN C[C@@H](NC[C@H](O)COc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000133758923 508444410 /nfs/dbraw/zinc/44/44/10/508444410.db2.gz YMHHWPDDPOHYLM-RISCZKNCSA-N 0 3 352.337 2.964 20 5 FFBDHN C[C@@H](NCCN1C(=O)CNC1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000134085016 508490515 /nfs/dbraw/zinc/49/05/15/508490515.db2.gz OICKHYUTPHTZFP-LLVKDONJSA-N 0 3 374.422 2.526 20 5 FFBDHN CCCCN(C)CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000122257830 508507808 /nfs/dbraw/zinc/50/78/08/508507808.db2.gz WFEWKTHNUWUGRV-UHFFFAOYSA-N 0 3 358.236 2.819 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)Cc1cccc(O)c1 ZINC000157298415 508549041 /nfs/dbraw/zinc/54/90/41/508549041.db2.gz AWAZORSMVXGCJM-UHFFFAOYSA-N 0 3 357.410 2.813 20 5 FFBDHN CCN1CCC[C@H]1CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116718077 508550322 /nfs/dbraw/zinc/55/03/22/508550322.db2.gz SQCOIQMAZGQZAK-ZDUSSCGKSA-N 0 3 355.822 2.618 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H]1CCCc2c1cnn2C ZINC000135651905 508636981 /nfs/dbraw/zinc/63/69/81/508636981.db2.gz LVWCPBBCODDADC-QGZVFWFLSA-N 0 3 371.441 2.975 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCS[C@H](C)[C@H]1C ZINC000118415716 508650352 /nfs/dbraw/zinc/65/03/52/508650352.db2.gz DAXZMQJOJIKWGS-VXGBXAGGSA-N 0 3 353.444 2.758 20 5 FFBDHN CC(C)CO[C@@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128902782 508657439 /nfs/dbraw/zinc/65/74/39/508657439.db2.gz AZRXBZWYKMQIJU-CQSZACIVSA-N 0 3 353.394 2.809 20 5 FFBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)C[C@@H]1CCCN(C)C1 ZINC000118841525 508683430 /nfs/dbraw/zinc/68/34/30/508683430.db2.gz PVZGBFMRTKXPRU-UONOGXRCSA-N 0 3 359.430 2.979 20 5 FFBDHN CN(Cc1ccccc1)CC(C)(C)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000118984037 508700952 /nfs/dbraw/zinc/70/09/52/508700952.db2.gz JTPMBMGBIIHEQD-UHFFFAOYSA-N 0 3 370.453 2.694 20 5 FFBDHN COc1ccc(-c2ccc(CN3CCC(C(N)=O)CC3)o2)c([N+](=O)[O-])c1 ZINC000158611223 508728011 /nfs/dbraw/zinc/72/80/11/508728011.db2.gz UGTLQGOLPXLQCV-UHFFFAOYSA-N 0 3 359.382 2.561 20 5 FFBDHN C[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC(C)CC1 ZINC000119241011 508755711 /nfs/dbraw/zinc/75/57/11/508755711.db2.gz JVEMRHATFDTIKF-AWEZNQCLSA-N 0 3 358.442 2.855 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CN1Cc1ccccc1 ZINC000137431755 508756191 /nfs/dbraw/zinc/75/61/91/508756191.db2.gz YVMAOMFZVKPBQA-SWLSCSKDSA-N 0 3 372.400 2.709 20 5 FFBDHN Cc1ccc([C@@H](C)NC[C@]2(N3CCOCC3)CCSC2)cc1[N+](=O)[O-] ZINC000154427002 508782680 /nfs/dbraw/zinc/78/26/80/508782680.db2.gz UHLAXAPFDZRKSC-CRAIPNDOSA-N 0 3 365.499 2.762 20 5 FFBDHN CCN1CCC[C@H](NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1 ZINC000119479632 508804276 /nfs/dbraw/zinc/80/42/76/508804276.db2.gz VYZQURLNMYVNKO-LBPRGKRZSA-N 0 3 370.247 2.880 20 5 FFBDHN CCOc1ccc([C@H]2CCCN2CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000159702383 508877378 /nfs/dbraw/zinc/87/73/78/508877378.db2.gz QXVGRGKPMWFGAS-GOSISDBHSA-N 0 3 357.410 2.992 20 5 FFBDHN C[C@H]1CCCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000159902395 508909240 /nfs/dbraw/zinc/90/92/40/508909240.db2.gz ODKSCWUKCGEVHN-NSHDSACASA-N 0 3 370.247 2.819 20 5 FFBDHN Cc1c(CC(=O)NC[C@H](Cc2ccccc2)N(C)C)cccc1[N+](=O)[O-] ZINC000159936459 508914052 /nfs/dbraw/zinc/91/40/52/508914052.db2.gz CMQWXNPFZGORRN-SFHVURJKSA-N 0 3 355.438 2.735 20 5 FFBDHN CCC[NH+]1CCC(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000120114474 508931377 /nfs/dbraw/zinc/93/13/77/508931377.db2.gz DTKULHPULKQEPL-UHFFFAOYSA-N 0 3 369.487 2.612 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000120119333 508932903 /nfs/dbraw/zinc/93/29/03/508932903.db2.gz XAMSTMIWLQBZBL-BEFAXECRSA-N 0 3 353.422 2.774 20 5 FFBDHN COc1ccc([C@H]2CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000155239045 508955873 /nfs/dbraw/zinc/95/58/73/508955873.db2.gz UFZISRMOIQPULF-WMZOPIPTSA-N 0 3 372.421 2.833 20 5 FFBDHN O=C(NCCCN1CCc2ccccc2C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000120474640 509004064 /nfs/dbraw/zinc/00/40/64/509004064.db2.gz YFWYCUVAAHLJTM-UHFFFAOYSA-N 0 3 357.385 2.912 20 5 FFBDHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CCCC2)C1 ZINC000120880383 509081549 /nfs/dbraw/zinc/08/15/49/509081549.db2.gz DKTZESCLBANQOU-SFHVURJKSA-N 0 3 360.458 2.797 20 5 FFBDHN Cc1c([C@H](C)NC[C@@H](O)CN2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000151788244 509083549 /nfs/dbraw/zinc/08/35/49/509083549.db2.gz COTLWQBJUWKGRR-QFBILLFUSA-N 0 3 369.465 2.973 20 5 FFBDHN CN(C(=O)c1ccc([N+](=O)[O-])o1)c1ccc(OCCN2CCCC2)cc1 ZINC000126731795 509119763 /nfs/dbraw/zinc/11/97/63/509119763.db2.gz HBLKMQDYRYUZRB-UHFFFAOYSA-N 0 3 359.382 2.939 20 5 FFBDHN CN(C)[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000191884262 509230118 /nfs/dbraw/zinc/23/01/18/509230118.db2.gz VPSDGUQNJLEVCN-QGZVFWFLSA-N 0 3 369.487 2.525 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@]3(O)CCOC3)o2)c(Cl)c1 ZINC000179028932 509231191 /nfs/dbraw/zinc/23/11/91/509231191.db2.gz KYISGHRLIQBLDA-MRXNPFEDSA-N 0 3 352.774 2.749 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)[C@H]1COc2ccccc21 ZINC000185579504 509246857 /nfs/dbraw/zinc/24/68/57/509246857.db2.gz ULTLXFZQAGNKGO-SWLSCSKDSA-N 0 3 371.393 2.696 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C)[C@H]1COc2ccccc21 ZINC000185593777 509256040 /nfs/dbraw/zinc/25/60/40/509256040.db2.gz YCHYXPACWNUKPD-XJKSGUPXSA-N 0 3 355.394 2.996 20 5 FFBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000176053361 509298460 /nfs/dbraw/zinc/29/84/60/509298460.db2.gz IPGHZMZOVKDYFP-NWDGAFQWSA-N 0 3 368.231 2.666 20 5 FFBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192021909 509301465 /nfs/dbraw/zinc/30/14/65/509301465.db2.gz WSHBVFHPSTZQQF-NVXWUHKLSA-N 0 3 363.801 2.530 20 5 FFBDHN O=[N+]([O-])c1ccn(CCN[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000192079580 509336199 /nfs/dbraw/zinc/33/61/99/509336199.db2.gz KXRHUMHYCWCOSD-HIFRSBDPSA-N 0 3 354.769 2.704 20 5 FFBDHN CN(C)CCOc1ccc(CCNC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000264184199 509369136 /nfs/dbraw/zinc/36/91/36/509369136.db2.gz FLDWTDMUHZOPBO-UHFFFAOYSA-N 0 3 357.410 2.508 20 5 FFBDHN C[C@H](CCN1CCN(C)CC1)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000185867057 509395024 /nfs/dbraw/zinc/39/50/24/509395024.db2.gz ZJKUZQHDPDTWDC-MRXNPFEDSA-N 0 3 372.469 2.970 20 5 FFBDHN CCOC(=O)c1ccnc(N[C@H](C)CN2CCCCCC2)c1[N+](=O)[O-] ZINC000185963723 509451773 /nfs/dbraw/zinc/45/17/73/509451773.db2.gz NGSFUVNOUYLQOD-CYBMUJFWSA-N 0 3 350.419 2.843 20 5 FFBDHN C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(C2CCC2)C1 ZINC000186075000 509511274 /nfs/dbraw/zinc/51/12/74/509511274.db2.gz GDURXNYYXWUVHB-UONOGXRCSA-N 0 3 367.471 2.526 20 5 FFBDHN C[C@H](NCc1cccnc1N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173357026 509551886 /nfs/dbraw/zinc/55/18/86/509551886.db2.gz CTOVANGBKOUNHM-HNNXBMFYSA-N 0 3 355.442 2.592 20 5 FFBDHN CS(=O)(=O)CCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000237300973 509615539 /nfs/dbraw/zinc/61/55/39/509615539.db2.gz NOCGLYXUHRVLBJ-UHFFFAOYSA-N 0 3 354.453 2.848 20 5 FFBDHN Cc1c(NC(=O)[C@H](C)N2CC[C@H](N3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000264668564 509634891 /nfs/dbraw/zinc/63/48/91/509634891.db2.gz ZYKWQPOCLHPJMC-HOTGVXAUSA-N 0 3 360.458 2.790 20 5 FFBDHN COC(=O)C[C@@H]1CCCN1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000179887407 509660780 /nfs/dbraw/zinc/66/07/80/509660780.db2.gz URLHYLKECNVCJA-INIZCTEOSA-N 0 3 358.398 2.523 20 5 FFBDHN CCc1n[nH]c(C(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000186436809 509707576 /nfs/dbraw/zinc/70/75/76/509707576.db2.gz BPNJXOWGOMJKKJ-INIZCTEOSA-N 0 3 371.441 2.521 20 5 FFBDHN C[C@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000249733974 509746612 /nfs/dbraw/zinc/74/66/12/509746612.db2.gz CTFCMQPENOWTST-OWCLPIDISA-N 0 3 360.458 2.505 20 5 FFBDHN C[C@H](CN1CCCCC1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176979176 509796878 /nfs/dbraw/zinc/79/68/78/509796878.db2.gz JWWZTNQAAXRNPB-LLVKDONJSA-N 0 3 370.247 2.962 20 5 FFBDHN C[C@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180476318 509943496 /nfs/dbraw/zinc/94/34/96/509943496.db2.gz LTMGKYZULGHCIY-NSHDSACASA-N 0 3 357.357 2.800 20 5 FFBDHN Cc1nc([C@H]2CCCN([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n[nH]1 ZINC000268484162 509961863 /nfs/dbraw/zinc/96/18/63/509961863.db2.gz ONVYRMQONXAACW-JSGCOSHPSA-N 0 3 372.429 2.536 20 5 FFBDHN Cc1n[nH]c([C@H]2CCCN([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000268484162 509961871 /nfs/dbraw/zinc/96/18/71/509961871.db2.gz ONVYRMQONXAACW-JSGCOSHPSA-N 0 3 372.429 2.536 20 5 FFBDHN Cc1nnc([C@H]2CCCN([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)[nH]1 ZINC000268484162 509961877 /nfs/dbraw/zinc/96/18/77/509961877.db2.gz ONVYRMQONXAACW-JSGCOSHPSA-N 0 3 372.429 2.536 20 5 FFBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000265284413 509966934 /nfs/dbraw/zinc/96/69/34/509966934.db2.gz JFMLLZICXQPKNK-KBPBESRZSA-N 0 3 351.472 2.876 20 5 FFBDHN C[C@H]1C[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2Br)CCN1C ZINC000180571816 509990404 /nfs/dbraw/zinc/99/04/04/509990404.db2.gz IIQOVIONKJONOW-WDEREUQCSA-N 0 3 370.247 2.912 20 5 FFBDHN CC(C)n1cnnc1[C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000245548149 509997676 /nfs/dbraw/zinc/99/76/76/509997676.db2.gz YFJXPMXVGQSYPC-NVXWUHKLSA-N 0 3 359.430 2.680 20 5 FFBDHN C[C@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@@H](CN)C1 ZINC000261759761 510054100 /nfs/dbraw/zinc/05/41/00/510054100.db2.gz JQJAEHONNQERKC-JKSUJKDBSA-N 0 3 363.461 2.741 20 5 FFBDHN Cc1nn(CCC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)c(C)c1[N+](=O)[O-] ZINC000187215923 510127769 /nfs/dbraw/zinc/12/77/69/510127769.db2.gz CFRFYXWNCRAMQM-ORAYPTAESA-N 0 3 373.457 2.606 20 5 FFBDHN O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@H](N2CCCC2)C1 ZINC000171447137 510163775 /nfs/dbraw/zinc/16/37/75/510163775.db2.gz USUSGFSSKPEXMA-INIZCTEOSA-N 0 3 358.442 2.505 20 5 FFBDHN CCN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000184176582 510175116 /nfs/dbraw/zinc/17/51/16/510175116.db2.gz HKJAVGPMJRXDNI-INIZCTEOSA-N 0 3 368.437 2.914 20 5 FFBDHN CC(C)(C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1)c1ccc([N+](=O)[O-])cc1 ZINC000262112524 510181282 /nfs/dbraw/zinc/18/12/82/510181282.db2.gz BDKOBCOYOREQSH-ZWKOTPCHSA-N 0 3 353.422 2.826 20 5 FFBDHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC000174660825 510236068 /nfs/dbraw/zinc/23/60/68/510236068.db2.gz KSPZJQVQFZCHRX-BXKDBHETSA-N 0 3 359.213 2.810 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCS[C@H]3CCCC[C@H]32)c1 ZINC000246079812 510280503 /nfs/dbraw/zinc/28/05/03/510280503.db2.gz FCCWKYZBYJTYPT-OIISXLGYSA-N 0 3 352.456 2.695 20 5 FFBDHN CN(C)C[C@@H]1CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000269291349 510328196 /nfs/dbraw/zinc/32/81/96/510328196.db2.gz FHSACROTDNASJB-LBPRGKRZSA-N 0 3 356.220 2.524 20 5 FFBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)C[C@H]1CCCN(C)C1 ZINC000246172487 510338437 /nfs/dbraw/zinc/33/84/37/510338437.db2.gz PVZGBFMRTKXPRU-KGLIPLIRSA-N 0 3 359.430 2.979 20 5 FFBDHN CC[C@@H](NCCN1C(=O)c2ccccc2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000177967240 510350831 /nfs/dbraw/zinc/35/08/31/510350831.db2.gz WDNYJYAKEZMUGO-QGZVFWFLSA-N 0 3 353.378 2.932 20 5 FFBDHN CC1CCN(c2ccc(C(=O)N3CCN[C@H](C)[C@@H]3C)cc2[N+](=O)[O-])CC1 ZINC000262745391 510393325 /nfs/dbraw/zinc/39/33/25/510393325.db2.gz JLCAYXJMTURZAP-CABCVRRESA-N 0 3 360.458 2.654 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2OCCN(C)C)c1 ZINC000266160837 510441334 /nfs/dbraw/zinc/44/13/34/510441334.db2.gz SUZDAIRQYYEMHR-UHFFFAOYSA-N 0 3 357.410 2.774 20 5 FFBDHN C[C@@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)N1[C@H](C)CC[C@H]1C ZINC000194670695 510473054 /nfs/dbraw/zinc/47/30/54/510473054.db2.gz CTFCMQPENOWTST-OAGGEKHMSA-N 0 3 360.458 2.505 20 5 FFBDHN C[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@H]1COc2ccccc21 ZINC000246433344 510488355 /nfs/dbraw/zinc/48/83/55/510488355.db2.gz INEVIYKLOMUPFJ-VHSSKADRSA-N 0 3 367.405 2.854 20 5 FFBDHN C[C@H](NCc1ccc(N2CCN(C)CC2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000178224269 510497039 /nfs/dbraw/zinc/49/70/39/510497039.db2.gz YKPQEDGBNNRRSS-HNNXBMFYSA-N 0 3 355.442 2.592 20 5 FFBDHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000266298926 510504227 /nfs/dbraw/zinc/50/42/27/510504227.db2.gz KNZKPXSRJATNRI-JQWIXIFHSA-N 0 3 357.332 2.922 20 5 FFBDHN COc1ccccc1CCN(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181776687 510586207 /nfs/dbraw/zinc/58/62/07/510586207.db2.gz AGFSUNVZTRENLA-MRXNPFEDSA-N 0 3 360.410 2.518 20 5 FFBDHN O=[N+]([O-])c1cc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c2c(c1)COCO2 ZINC000269994378 510632930 /nfs/dbraw/zinc/63/29/30/510632930.db2.gz PXOKYTYGFFDDKX-NXHRZFHOSA-N 0 3 360.410 2.899 20 5 FFBDHN O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188275169 510682357 /nfs/dbraw/zinc/68/23/57/510682357.db2.gz IRZNLEQMOWRQNA-UHFFFAOYSA-N 0 3 356.382 2.586 20 5 FFBDHN Cc1[n-]nc(C(=O)Nc2ccc(OCC[N@H+]3CC[C@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000266611696 510686633 /nfs/dbraw/zinc/68/66/33/510686633.db2.gz BILVYLGQXPNNDS-LBPRGKRZSA-N 0 3 373.413 2.599 20 5 FFBDHN Cc1[n-]nc(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000266611696 510686639 /nfs/dbraw/zinc/68/66/39/510686639.db2.gz BILVYLGQXPNNDS-LBPRGKRZSA-N 0 3 373.413 2.599 20 5 FFBDHN C[C@@](CO)(NCc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCCCC1 ZINC000172673899 510841624 /nfs/dbraw/zinc/84/16/24/510841624.db2.gz IGRQBVALXNSSBG-SFHVURJKSA-N 0 3 350.415 2.882 20 5 FFBDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285469976 510919855 /nfs/dbraw/zinc/91/98/55/510919855.db2.gz ZILLRMUMKWWCES-GFCCVEGCSA-N 0 3 355.385 2.558 20 5 FFBDHN CCOc1cc(CN2CCC[C@@H](CN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000282362990 510946115 /nfs/dbraw/zinc/94/61/15/510946115.db2.gz WFSYNLNBYUEIDV-KRWDZBQOSA-N 0 3 363.458 2.538 20 5 FFBDHN CC(C)N(C)CC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000285581841 510965160 /nfs/dbraw/zinc/96/51/60/510965160.db2.gz AETSSAUVKQJIBB-UHFFFAOYSA-N 0 3 370.247 2.582 20 5 FFBDHN COc1ccc(CN2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1[N+](=O)[O-] ZINC000270910310 511022526 /nfs/dbraw/zinc/02/25/26/511022526.db2.gz STVBXGWZEBCMNT-CQSZACIVSA-N 0 3 357.414 2.979 20 5 FFBDHN COc1ccc(CN2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1[N+](=O)[O-] ZINC000270910310 511022529 /nfs/dbraw/zinc/02/25/29/511022529.db2.gz STVBXGWZEBCMNT-CQSZACIVSA-N 0 3 357.414 2.979 20 5 FFBDHN CN1CCC[C@@]2(CCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)C2)C1 ZINC000294372817 511043078 /nfs/dbraw/zinc/04/30/78/511043078.db2.gz ZMWQYUFARXSWCG-LJQANCHMSA-N 0 3 358.442 2.727 20 5 FFBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCC(=O)NCC(F)(F)F ZINC000271019388 511059377 /nfs/dbraw/zinc/05/93/77/511059377.db2.gz AFGLXLMSNWWJMY-JTQLQIEISA-N 0 3 365.377 2.734 20 5 FFBDHN O=C1CC2(CN1)CCN(Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000271178170 511109139 /nfs/dbraw/zinc/10/91/39/511109139.db2.gz KBYJKTSGVQBUKL-UHFFFAOYSA-N 0 3 355.394 2.957 20 5 FFBDHN CCCc1n[n-]c(C(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)c1[N+](=O)[O-] ZINC000290421923 511137820 /nfs/dbraw/zinc/13/78/20/511137820.db2.gz AXLPAPRRBAIZHM-UHFFFAOYSA-N 0 3 372.429 2.504 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H]3CN4CCC[C@H]4CO3)cs2)c1 ZINC000362719296 511224690 /nfs/dbraw/zinc/22/46/90/511224690.db2.gz IGTGPQPUVQPKDS-DLBZAZTESA-N 0 3 374.466 2.671 20 5 FFBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCC1(CS(C)(=O)=O)CC1 ZINC000271539928 511239569 /nfs/dbraw/zinc/23/95/69/511239569.db2.gz UBNVZBSQDPWWMP-CYBMUJFWSA-N 0 3 372.512 2.880 20 5 FFBDHN CCN(Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000362852291 511251976 /nfs/dbraw/zinc/25/19/76/511251976.db2.gz PTQMKMVZWUNDKC-NVXWUHKLSA-N 0 3 357.458 2.986 20 5 FFBDHN Cn1cc(CN2CC[C@@H](O)CC(C)(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000295209746 511321708 /nfs/dbraw/zinc/32/17/08/511321708.db2.gz LKWDUESDBNRPDP-QGZVFWFLSA-N 0 3 358.442 2.978 20 5 FFBDHN Cc1c(NC(=O)CCN[C@H](CCO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000271795072 511326979 /nfs/dbraw/zinc/32/69/79/511326979.db2.gz RGHXKSRFQMMKHQ-QGZVFWFLSA-N 0 3 357.410 2.945 20 5 FFBDHN O=C(CCN1CCc2ccccc2[C@@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000283457185 511373930 /nfs/dbraw/zinc/37/39/30/511373930.db2.gz YOMXRMLPRUVNOG-SFHVURJKSA-N 0 3 355.394 2.515 20 5 FFBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)C1CCN(C(C)C)CC1 ZINC000272088174 511427960 /nfs/dbraw/zinc/42/79/60/511427960.db2.gz HTAANKZBLGTTJE-UHFFFAOYSA-N 0 3 373.450 2.536 20 5 FFBDHN CC(C)N1CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000280394618 511450280 /nfs/dbraw/zinc/45/02/80/511450280.db2.gz FWHUDVGQFBIFFS-UHFFFAOYSA-N 0 3 357.813 2.873 20 5 FFBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000280558383 511511237 /nfs/dbraw/zinc/51/12/37/511511237.db2.gz UTOULCANDSLATP-NHYWBVRUSA-N 0 3 369.824 2.873 20 5 FFBDHN Cc1c(NC(=O)NC2CCN(C)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000280634097 511541531 /nfs/dbraw/zinc/54/15/31/511541531.db2.gz AOFKALSZFIDRPL-UHFFFAOYSA-N 0 3 371.235 2.881 20 5 FFBDHN C[C@@H]1C[C@H](c2cccnc2)N(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000365588063 511546065 /nfs/dbraw/zinc/54/60/65/511546065.db2.gz UENKQNZMYJPZRG-QGPMSJSTSA-N 0 3 357.410 2.813 20 5 FFBDHN CC1(C)[C@H](NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]2CCO[C@H]21 ZINC000296144137 511634772 /nfs/dbraw/zinc/63/47/72/511634772.db2.gz JTZHZDILNPLYHR-VCTAVGKDSA-N 0 3 353.806 2.590 20 5 FFBDHN COC(=O)C1CCN(CCCNc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000296278904 511682744 /nfs/dbraw/zinc/68/27/44/511682744.db2.gz HEXUEGXCHILIDA-UHFFFAOYSA-N 0 3 372.425 2.830 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](c2ccc(F)cc2)N(C)C)n1 ZINC000281020513 511691466 /nfs/dbraw/zinc/69/14/66/511691466.db2.gz SDEXWAHUHWRPMK-HNNXBMFYSA-N 0 3 362.361 2.630 20 5 FFBDHN COCCOc1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000365994294 511772523 /nfs/dbraw/zinc/77/25/23/511772523.db2.gz ITWSDLILGIMAQE-UHFFFAOYSA-N 0 3 360.414 2.654 20 5 FFBDHN O=C(c1ccc([N+](=O)[O-])o1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000365999259 511777057 /nfs/dbraw/zinc/77/70/57/511777057.db2.gz YKJZLMUWTGVRJD-HOTGVXAUSA-N 0 3 355.394 2.782 20 5 FFBDHN O=[N+]([O-])c1cccc(CNC[C@@H](O)COCc2ccccc2Cl)c1 ZINC000324534054 511837264 /nfs/dbraw/zinc/83/72/64/511837264.db2.gz PYUHKFBWMOMKSD-MRXNPFEDSA-N 0 3 350.802 2.916 20 5 FFBDHN C[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCN(C2CC2)C1 ZINC000296683144 511852439 /nfs/dbraw/zinc/85/24/39/511852439.db2.gz IRLGDIIKDMJVIH-CYBMUJFWSA-N 0 3 357.414 2.561 20 5 FFBDHN CC(C)(CO)[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000293204398 511879971 /nfs/dbraw/zinc/87/99/71/511879971.db2.gz XDQIUWMMAUOXHA-OAHLLOKOSA-N 0 3 355.822 2.573 20 5 FFBDHN COc1cccc(N2CCC(N3CCN(C(C)C)CC3)CC2)c1[N+](=O)[O-] ZINC000274696424 511912729 /nfs/dbraw/zinc/91/27/29/511912729.db2.gz NXPJXLHZIMLWAI-UHFFFAOYSA-N 0 3 362.474 2.598 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)[C@H](C)C2CCN(C)CC2)c1 ZINC000281646335 511919635 /nfs/dbraw/zinc/91/96/35/511919635.db2.gz RMDRKFYIIWYEPV-OAHLLOKOSA-N 0 3 363.458 2.861 20 5 FFBDHN O=C(CNC1(C2CC2)CCOCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000375699354 512463647 /nfs/dbraw/zinc/46/36/47/512463647.db2.gz VPSUITLMTYHSTB-UHFFFAOYSA-N 0 3 353.806 2.736 20 5 FFBDHN C[C@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000374309525 512758122 /nfs/dbraw/zinc/75/81/22/512758122.db2.gz JQLZBCJNCFIRSO-DZGCQCFKSA-N 0 3 352.866 2.710 20 5 FFBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000376567789 512877613 /nfs/dbraw/zinc/87/76/13/512877613.db2.gz AHFZDWCUEVOEAQ-SWLSCSKDSA-N 0 3 353.369 2.772 20 5 FFBDHN NC(=O)[C@]1(c2ccccc2)CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000411957880 512889186 /nfs/dbraw/zinc/88/91/86/512889186.db2.gz BQZSNQRHYQJDLM-GOSISDBHSA-N 0 3 359.813 2.877 20 5 FFBDHN COc1ccc(C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000370503342 512966744 /nfs/dbraw/zinc/96/67/44/512966744.db2.gz RIWSKASHQJYWNQ-CQSZACIVSA-N 0 3 371.393 2.573 20 5 FFBDHN C[C@@H]1CC[C@H](C)N1[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000408074912 512994691 /nfs/dbraw/zinc/99/46/91/512994691.db2.gz SHIWSFBZOPVKRP-LZWOXQAQSA-N 0 3 367.471 2.621 20 5 FFBDHN CC(C)Oc1cc(C(=O)N2CC[C@]3(C2)CCCN(C)C3)ccc1[N+](=O)[O-] ZINC000412357444 513052759 /nfs/dbraw/zinc/05/27/59/513052759.db2.gz DWZRCQIWUCJPRB-LJQANCHMSA-N 0 3 361.442 2.940 20 5 FFBDHN O=[N+]([O-])c1cc(CNCCn2cncn2)ccc1Oc1ccc(F)cc1 ZINC000409525775 513118043 /nfs/dbraw/zinc/11/80/43/513118043.db2.gz RJEBCQMAARMLEZ-UHFFFAOYSA-N 0 3 357.345 2.908 20 5 FFBDHN COc1ccc(CNC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000428553549 513128493 /nfs/dbraw/zinc/12/84/93/513128493.db2.gz XIYOPPCELOHGGD-QFBILLFUSA-N 0 3 360.385 2.998 20 5 FFBDHN O=C(NC1CC1)c1ccc(NC[C@H]2CCCCN2C2CC2)c([N+](=O)[O-])c1 ZINC000433799382 513153196 /nfs/dbraw/zinc/15/31/96/513153196.db2.gz QZILMJHTEDRAEV-MRXNPFEDSA-N 0 3 358.442 2.916 20 5 FFBDHN CS[C@H]1CN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000446223666 513212490 /nfs/dbraw/zinc/21/24/90/513212490.db2.gz AFYWAMWAUSNYDS-OLZOCXBDSA-N 0 3 357.863 2.674 20 5 FFBDHN CC(C)N(Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C[C@H](O)CO ZINC000421410201 513253195 /nfs/dbraw/zinc/25/31/95/513253195.db2.gz OUQQRPDBTGXFLO-ZDUSSCGKSA-N 0 3 350.440 2.887 20 5 FFBDHN CC(C)c1[nH]nc(C(=O)Nc2cccc(OCCN(C)C)c2)c1[N+](=O)[O-] ZINC000434186855 513258631 /nfs/dbraw/zinc/25/86/31/513258631.db2.gz MTOPZGOOGCKNQS-UHFFFAOYSA-N 0 3 361.402 2.634 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000450808373 513351500 /nfs/dbraw/zinc/35/15/00/513351500.db2.gz IHZRKFKSUDASSV-HNNXBMFYSA-N 0 3 368.437 2.652 20 5 FFBDHN CCOC(=O)CC1(NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])CCCC1 ZINC000434612413 513367742 /nfs/dbraw/zinc/36/77/42/513367742.db2.gz RRZAHDBZJDOIRC-UHFFFAOYSA-N 0 3 363.414 2.697 20 5 FFBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNCC2(N3CCOCC3)CC2)o1 ZINC000434795588 513432895 /nfs/dbraw/zinc/43/28/95/513432895.db2.gz QWCLGTGXBJUGHY-UHFFFAOYSA-N 0 3 357.410 2.809 20 5 FFBDHN COc1ccc(CNC(=O)Nc2ccc3c(c2F)CCNC3)cc1[N+](=O)[O-] ZINC000415960558 513501756 /nfs/dbraw/zinc/50/17/56/513501756.db2.gz QBGDBVWOCUUBQV-UHFFFAOYSA-N 0 3 374.372 2.710 20 5 FFBDHN N[C@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccccc1 ZINC000418432576 513508137 /nfs/dbraw/zinc/50/81/37/513508137.db2.gz SLUSAHIRJNRIJG-GOSISDBHSA-N 0 3 354.410 2.969 20 5 FFBDHN COc1ccc(-c2ccc(CN3CC[C@H](c4nnc[nH]4)C3)o2)c([N+](=O)[O-])c1 ZINC000425349405 513523097 /nfs/dbraw/zinc/52/30/97/513523097.db2.gz CZKUYCSHIWTNNS-LBPRGKRZSA-N 0 3 369.381 2.971 20 5 FFBDHN Cc1cc(OCC(=O)N(CCN(C)C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000430134381 513564079 /nfs/dbraw/zinc/56/40/79/513564079.db2.gz GGTDGNHUUFLBAK-UHFFFAOYSA-N 0 3 371.437 2.872 20 5 FFBDHN CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(C)(C)CN1CCCC1 ZINC000416097175 513570259 /nfs/dbraw/zinc/57/02/59/513570259.db2.gz QJKKYDADJDGOGJ-UHFFFAOYSA-N 0 3 371.441 2.727 20 5 FFBDHN CC(C)(C)OC(=O)CC[C@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000425474066 513586123 /nfs/dbraw/zinc/58/61/23/513586123.db2.gz KVTXFBFDLIJWJR-CQSZACIVSA-N 0 3 352.435 2.768 20 5 FFBDHN COC(=O)[C@@H]1CCCCC[C@@H]1N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451226420 513607556 /nfs/dbraw/zinc/60/75/56/513607556.db2.gz AAEKFXWJMOEYDU-MCIONIFRSA-N 0 3 363.414 2.633 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN[C@@H]2COC[C@H]2O)cc1 ZINC000451231106 513609684 /nfs/dbraw/zinc/60/96/84/513609684.db2.gz PTXQSEYOMRRJAH-GDBMZVCRSA-N 0 3 364.785 2.890 20 5 FFBDHN COc1cc(CNC[C@H]2N(C)CCCC2(C)C)c([N+](=O)[O-])cc1OC ZINC000447899970 513620661 /nfs/dbraw/zinc/62/06/61/513620661.db2.gz YPNWRUJLTJMKLJ-QGZVFWFLSA-N 0 3 351.447 2.822 20 5 FFBDHN CN(C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)CN1CCCC1 ZINC000416333076 513716489 /nfs/dbraw/zinc/71/64/89/513716489.db2.gz JWOUYOSYAYSONF-UHFFFAOYSA-N 0 3 361.442 2.891 20 5 FFBDHN CN1C[C@@H]2CCCN(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000425728231 513718998 /nfs/dbraw/zinc/71/89/98/513718998.db2.gz SXVFAPYBRWTNLU-XJKSGUPXSA-N 0 3 366.849 2.526 20 5 FFBDHN COC(=O)[C@@H]1CSCCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000413616106 513736341 /nfs/dbraw/zinc/73/63/41/513736341.db2.gz YBQPABZYYZKKGG-LBPRGKRZSA-N 0 3 361.423 2.794 20 5 FFBDHN CN1CC[C@@H](CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436068812 513750220 /nfs/dbraw/zinc/75/02/20/513750220.db2.gz QHOAGHWLCJTKBO-LBPRGKRZSA-N 0 3 353.397 2.502 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCSC[C@@H]1C1CCC1 ZINC000419375385 513791835 /nfs/dbraw/zinc/79/18/35/513791835.db2.gz QLKWRPRVJPFHIR-GDBMZVCRSA-N 0 3 352.456 2.552 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H]2CCCN(C[C@H](O)COCc3ccco3)C2)cc1 ZINC000451543136 513820579 /nfs/dbraw/zinc/82/05/79/513820579.db2.gz AZHMUNSRNNWGQS-AEFFLSMTSA-N 0 3 360.410 2.945 20 5 FFBDHN CC(C)[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H](CO)C(C)C ZINC000451604330 513861275 /nfs/dbraw/zinc/86/12/75/513861275.db2.gz YKIJCUALSYEWFN-RRQGHBQHSA-N 0 3 351.447 2.801 20 5 FFBDHN C[C@H]1CCN(C)CCN1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426269211 513891099 /nfs/dbraw/zinc/89/10/99/513891099.db2.gz FLHCNXDTAFIRQD-NSHDSACASA-N 0 3 374.363 2.849 20 5 FFBDHN COc1cc(C(=O)N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000448782571 513895577 /nfs/dbraw/zinc/89/55/77/513895577.db2.gz DZBKIESEVRJTKY-XQQFMLRXSA-N 0 3 367.421 2.839 20 5 FFBDHN O=C(CNc1ccc([N+](=O)[O-])c2cnccc12)NCCN1CCCCCC1 ZINC000431473281 513905447 /nfs/dbraw/zinc/90/54/47/513905447.db2.gz AAZNHIHFHNHOCF-UHFFFAOYSA-N 0 3 371.441 2.547 20 5 FFBDHN CN(C)[C@H](CC(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000431618362 513945823 /nfs/dbraw/zinc/94/58/23/513945823.db2.gz PVHZEDZQHMUDFP-GOSISDBHSA-N 0 3 356.426 2.816 20 5 FFBDHN COc1ccc(CNC(=O)C(C)(C)[C@H](N)c2ccccc2)cc1[N+](=O)[O-] ZINC000423064678 514025164 /nfs/dbraw/zinc/02/51/64/514025164.db2.gz ZKXSEEZOOWBAMB-QGZVFWFLSA-N 0 3 357.410 2.946 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@]3(CCSC3)C2)c1 ZINC000451963705 514098675 /nfs/dbraw/zinc/09/86/75/514098675.db2.gz IURGVNBELQKNLI-RDJZCZTQSA-N 0 3 352.456 2.554 20 5 FFBDHN CCn1nccc1N1CCC[C@@H](N[C@H](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000449276145 514142690 /nfs/dbraw/zinc/14/26/90/514142690.db2.gz AZFAJCVREBAETL-GDBMZVCRSA-N 0 3 371.441 2.527 20 5 FFBDHN C[C@H](c1ccccc1)N1CC[C@@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420581458 514190473 /nfs/dbraw/zinc/19/04/73/514190473.db2.gz GZLHVIRLYSEKAS-UKRRQHHQSA-N 0 3 354.410 2.941 20 5 FFBDHN COC(=O)[C@H]1CSCCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000414580269 514192300 /nfs/dbraw/zinc/19/23/00/514192300.db2.gz JPLRHBRIYBSMRA-JEMSNHSXSA-N 0 3 350.440 2.836 20 5 FFBDHN NC(=O)c1cccc([N+](=O)[O-])c1N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000420589078 514192969 /nfs/dbraw/zinc/19/29/69/514192969.db2.gz SPPQDEQBGPMDRF-HNNXBMFYSA-N 0 3 354.410 2.770 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000427360233 514193997 /nfs/dbraw/zinc/19/39/97/514193997.db2.gz YLFODJVQHIYHCE-KDOFPFPSSA-N 0 3 369.421 2.854 20 5 FFBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc(-c2ccccn2)[n-]1 ZINC000449707875 514315754 /nfs/dbraw/zinc/31/57/54/514315754.db2.gz FEAKXUYPLYYTBI-CYBMUJFWSA-N 0 3 352.398 2.886 20 5 FFBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NCc1nc(-c2ccccn2)n[nH]1 ZINC000449707875 514315759 /nfs/dbraw/zinc/31/57/59/514315759.db2.gz FEAKXUYPLYYTBI-CYBMUJFWSA-N 0 3 352.398 2.886 20 5 FFBDHN COC(=O)c1cnc(Nc2cccc3c2OCC[C@H]3N(C)C)c([N+](=O)[O-])c1 ZINC000432925280 514324112 /nfs/dbraw/zinc/32/41/12/514324112.db2.gz BJCIUVMCNOERMJ-CQSZACIVSA-N 0 3 372.381 2.905 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H](CC(F)(F)F)C2)c1 ZINC000420938482 514387697 /nfs/dbraw/zinc/38/76/97/514387697.db2.gz AWYVRSDJBZDBOM-TZMCWYRMSA-N 0 3 362.348 2.999 20 5 FFBDHN COc1ccc(-c2ccc(CN[C@H]3CNCCC3(F)F)o2)c([N+](=O)[O-])c1 ZINC000414993628 514390408 /nfs/dbraw/zinc/39/04/08/514390408.db2.gz CSAJIUGFCKMSJJ-INIZCTEOSA-N 0 3 367.352 2.950 20 5 FFBDHN CS(=O)(=O)CCCCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000424166776 514404491 /nfs/dbraw/zinc/40/44/91/514404491.db2.gz BFUJDMZGJPOZND-UHFFFAOYSA-N 0 3 352.412 2.769 20 5 FFBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)C[C@H]1CCCN1C ZINC000420994431 514428839 /nfs/dbraw/zinc/42/88/39/514428839.db2.gz CDQFXFDDXJBCGC-WCQYABFASA-N 0 3 354.838 2.601 20 5 FFBDHN COC(=O)Cc1ccc(N[C@@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000450218476 514548725 /nfs/dbraw/zinc/54/87/25/514548725.db2.gz XVGHWJZQHVZVGW-QGZVFWFLSA-N 0 3 369.421 2.997 20 5 FFBDHN CCN1CCN(C[C@@H](C)CNc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450262390 514570679 /nfs/dbraw/zinc/57/06/79/514570679.db2.gz MYTWWYJPKABOGK-HNNXBMFYSA-N 0 3 357.458 2.829 20 5 FFBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000453293051 514592031 /nfs/dbraw/zinc/59/20/31/514592031.db2.gz WQFOKDZDGBDQGS-HLLBOEOZSA-N 0 3 353.422 2.807 20 5 FFBDHN O=C(CN[C@@H]1CCCC[C@H]1OC(F)F)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000502563893 514696218 /nfs/dbraw/zinc/69/62/18/514696218.db2.gz SLQIGYQBHRUCGA-UKRRQHHQSA-N 0 3 369.368 2.624 20 5 FFBDHN CC[C@H]1CCCCN1CCNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000502809316 514786885 /nfs/dbraw/zinc/78/68/85/514786885.db2.gz CFAFJQZIVKEMDS-HNNXBMFYSA-N 0 3 364.446 2.667 20 5 FFBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000466923251 514828822 /nfs/dbraw/zinc/82/88/22/514828822.db2.gz JFNHNDHENWGVBG-KSSFIOAISA-N 0 3 360.458 2.998 20 5 FFBDHN CN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000498496441 514931317 /nfs/dbraw/zinc/93/13/17/514931317.db2.gz RMUOKPKWOJXXDJ-OAHLLOKOSA-N 0 3 366.849 2.669 20 5 FFBDHN CC[C@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])N1CCCC1 ZINC000480400309 514945233 /nfs/dbraw/zinc/94/52/33/514945233.db2.gz BYZUEPGBURMOMK-OAHLLOKOSA-N 0 3 371.441 2.846 20 5 FFBDHN COCCN1CCC(Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485396516 515022588 /nfs/dbraw/zinc/02/25/88/515022588.db2.gz LZAMCJUQROCKOM-UHFFFAOYSA-N 0 3 374.416 2.741 20 5 FFBDHN COCCCN(C)CCNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485404902 515027305 /nfs/dbraw/zinc/02/73/05/515027305.db2.gz LPYBXQNGJDCLHT-UHFFFAOYSA-N 0 3 362.405 2.598 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC(C)(C)CN2CCCC2)c1C ZINC000480785790 515082447 /nfs/dbraw/zinc/08/24/47/515082447.db2.gz JRRAXIHLMGZKPO-UHFFFAOYSA-N 0 3 369.487 2.612 20 5 FFBDHN CC(C)N1CCN(c2cccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)c2)CC1 ZINC000503765941 515137155 /nfs/dbraw/zinc/13/71/55/515137155.db2.gz SIVOWWYZCUJKNM-UHFFFAOYSA-N 0 3 357.414 2.706 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000499141080 515217006 /nfs/dbraw/zinc/21/70/06/515217006.db2.gz HIVCZVRHFHIIOC-QGZVFWFLSA-N 0 3 357.410 2.945 20 5 FFBDHN CCOC(=O)c1ccnc(N[C@@H]2CCN(CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000462950284 515313059 /nfs/dbraw/zinc/31/30/59/515313059.db2.gz ZXPKWRVULBRCIS-CQSZACIVSA-N 0 3 362.430 2.843 20 5 FFBDHN Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)N2CCCC2)cc1 ZINC000499426579 515318505 /nfs/dbraw/zinc/31/85/05/515318505.db2.gz YTWQWEFSMPWECR-QGZVFWFLSA-N 0 3 356.426 2.809 20 5 FFBDHN CN(C)CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000477233046 515378621 /nfs/dbraw/zinc/37/86/21/515378621.db2.gz SYFWXOUZGBLYBN-UHFFFAOYSA-N 0 3 351.422 2.999 20 5 FFBDHN COC(=O)c1ccccc1CC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000463230545 515407957 /nfs/dbraw/zinc/40/79/57/515407957.db2.gz PKXVUBILIFLRSD-UHFFFAOYSA-N 0 3 372.425 2.533 20 5 FFBDHN C[C@@H](NS(=O)(=O)c1ccc(CN(C)C)cc1)c1ccccc1[N+](=O)[O-] ZINC000477482110 515475258 /nfs/dbraw/zinc/47/52/58/515475258.db2.gz FTXCRAWMEATCER-CYBMUJFWSA-N 0 3 363.439 2.696 20 5 FFBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000499879356 515489998 /nfs/dbraw/zinc/48/99/98/515489998.db2.gz RZFIRMGACYIUBD-HIFRSBDPSA-N 0 3 354.410 2.742 20 5 FFBDHN Cc1cc(N2CC[C@@H]3CCN(C)C[C@@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000486670464 515587825 /nfs/dbraw/zinc/58/78/25/515587825.db2.gz KLWVJWZQFLADNW-YOEHRIQHSA-N 0 3 353.426 2.891 20 5 FFBDHN CN1CCC[C@]2(CCN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)C2)C1 ZINC000505635130 515618093 /nfs/dbraw/zinc/61/80/93/515618093.db2.gz OBTPVCJBUAQMQJ-KRWDZBQOSA-N 0 3 369.368 2.754 20 5 FFBDHN CCOc1cc(CN[C@]2(CO)C[C@@H](OCC)C2(C)C)ccc1[N+](=O)[O-] ZINC000493570916 515642773 /nfs/dbraw/zinc/64/27/73/515642773.db2.gz CWFNLAWEQIVPRI-AEFFLSMTSA-N 0 3 352.431 2.649 20 5 FFBDHN Cn1c(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)ccc1[N+](=O)[O-] ZINC000500302986 515659552 /nfs/dbraw/zinc/65/95/52/515659552.db2.gz LYLKKHPDJITYRA-ZDUSSCGKSA-N 0 3 362.455 2.637 20 5 FFBDHN CC(C)N1CC[C@@H](N(C)C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000457116057 515662201 /nfs/dbraw/zinc/66/22/01/515662201.db2.gz LERVPYZZXYSYLH-GXTWGEPZSA-N 0 3 369.849 2.957 20 5 FFBDHN CC(C)N1CC[C@H](N(C)C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000457120090 515664873 /nfs/dbraw/zinc/66/48/73/515664873.db2.gz NQBRWMPCTLDPCB-INIZCTEOSA-N 0 3 371.441 2.550 20 5 FFBDHN Cc1cnc(N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000474148868 515906615 /nfs/dbraw/zinc/90/66/15/515906615.db2.gz YCOSAJJHSDUPBV-IAGOWNOFSA-N 0 3 356.426 2.593 20 5 FFBDHN COc1ccc(OCCN[C@@H](CO)c2sccc2C)c([N+](=O)[O-])c1 ZINC000494655761 515912518 /nfs/dbraw/zinc/91/25/18/515912518.db2.gz LWJCVFVFSFTCEZ-ZDUSSCGKSA-N 0 3 352.412 2.675 20 5 FFBDHN CC(C)[C@@H]1CN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN1C ZINC000488083091 516110644 /nfs/dbraw/zinc/11/06/44/516110644.db2.gz YVZUBHVWHNWPAX-WBMJQRKESA-N 0 3 368.865 2.847 20 5 FFBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000488087554 516113057 /nfs/dbraw/zinc/11/30/57/516113057.db2.gz WUEJIHGHSWHNLO-GJZGRUSLSA-N 0 3 371.441 2.773 20 5 FFBDHN C[C@@H]1C[C@H](C)CN(C(C)(C)CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000507277839 516150541 /nfs/dbraw/zinc/15/05/41/516150541.db2.gz JGGWYGGGFTXTCZ-OKILXGFUSA-N 0 3 369.487 2.630 20 5 FFBDHN O=C(Nc1cccc(CN2CCC(O)CC2)c1)c1ccccc1[N+](=O)[O-] ZINC000488690012 516287546 /nfs/dbraw/zinc/28/75/46/516287546.db2.gz MZFWHXUXYCJMAB-UHFFFAOYSA-N 0 3 355.394 2.804 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H]2CCCOc3ccccc32)c1 ZINC000517556131 516360897 /nfs/dbraw/zinc/36/08/97/516360897.db2.gz GIICCSCZBRPECL-MAUKXSAKSA-N 0 3 358.394 2.838 20 5 FFBDHN O=C(N1CCCC1)N1CCC[C@@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000517586817 516376215 /nfs/dbraw/zinc/37/62/15/516376215.db2.gz VVPPQXIBJLIFDH-PBHICJAKSA-N 0 3 358.442 2.852 20 5 FFBDHN COC(=O)c1cc(C)nc(N[C@@H](C)CN2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000561157826 516415434 /nfs/dbraw/zinc/41/54/34/516415434.db2.gz XGLZCCUOJWLWBM-AAEUAGOBSA-N 0 3 350.419 2.617 20 5 FFBDHN COc1ccc(CNC(=O)N[C@@H](C)CN2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000517738094 516433361 /nfs/dbraw/zinc/43/33/61/516433361.db2.gz WGEZANITQNMRIB-KBPBESRZSA-N 0 3 364.446 2.523 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000531388797 516444576 /nfs/dbraw/zinc/44/45/76/516444576.db2.gz CVOMBFKJRMAUAF-WMLDXEAASA-N 0 3 356.426 2.574 20 5 FFBDHN C[C@@H](CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])N1CCCCC1 ZINC000544138435 516608540 /nfs/dbraw/zinc/60/85/40/516608540.db2.gz LTNJMTIYGVCZCC-ZDUSSCGKSA-N 0 3 355.460 2.675 20 5 FFBDHN COc1cc(CN(C)[C@H]2CCN(C3CC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000513467192 516636162 /nfs/dbraw/zinc/63/61/62/516636162.db2.gz RNYKMUUEESWBHY-ZDUSSCGKSA-N 0 3 371.384 2.873 20 5 FFBDHN Cc1nc2ccccn2c(=O)c1CCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000554935733 516706060 /nfs/dbraw/zinc/70/60/60/516706060.db2.gz HMTKRDOWGWSTJT-UHFFFAOYSA-N 0 3 364.405 2.512 20 5 FFBDHN CN(C)Cc1cccc(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000524540221 516748095 /nfs/dbraw/zinc/74/80/95/516748095.db2.gz YKZOJBIEWBYVHV-UHFFFAOYSA-N 0 3 358.398 2.857 20 5 FFBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000561823227 516788377 /nfs/dbraw/zinc/78/83/77/516788377.db2.gz QNABLCJCKLFNGC-YPMHNXCESA-N 0 3 353.369 2.501 20 5 FFBDHN CCN1CCCC[C@@H]1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514203298 516901352 /nfs/dbraw/zinc/90/13/52/516901352.db2.gz HTDKLSKJVHZYPQ-GFCCVEGCSA-N 0 3 357.357 2.800 20 5 FFBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514212109 516905411 /nfs/dbraw/zinc/90/54/11/516905411.db2.gz BFVYBZUIPCHYJY-PWSUYJOCSA-N 0 3 357.357 2.608 20 5 FFBDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000555417388 516920186 /nfs/dbraw/zinc/92/01/86/516920186.db2.gz NIAQMCOXJXYKJG-SJWGOKEGSA-N 0 3 359.426 2.859 20 5 FFBDHN C[C@H]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000514683786 517002959 /nfs/dbraw/zinc/00/29/59/517002959.db2.gz IYNDFEXKKRMMAZ-HNNXBMFYSA-N 0 3 368.437 2.795 20 5 FFBDHN COC(=O)c1cnc(N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000514752256 517038435 /nfs/dbraw/zinc/03/84/35/517038435.db2.gz QGEJOVSOYGFIOQ-XJKSGUPXSA-N 0 3 370.409 2.851 20 5 FFBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000525554728 517074626 /nfs/dbraw/zinc/07/46/26/517074626.db2.gz PEUUTBNRAOYPTK-WBMJQRKESA-N 0 3 362.455 2.808 20 5 FFBDHN CS[C@@H]1CN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1N1CCCC1 ZINC000562403371 517083287 /nfs/dbraw/zinc/08/32/87/517083287.db2.gz IASUYBDCAIMDSK-KBRIMQKVSA-N 0 3 363.483 2.737 20 5 FFBDHN CCCN(CCN1CCCC1)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000514865678 517099464 /nfs/dbraw/zinc/09/94/64/517099464.db2.gz LDHBDBWOWHMUDT-UHFFFAOYSA-N 0 3 371.441 2.729 20 5 FFBDHN COc1cc(C[C@H](CO)CNCc2ccccc2[N+](=O)[O-])cc(OC)c1 ZINC000537311342 517139949 /nfs/dbraw/zinc/13/99/49/517139949.db2.gz OFJRAYSSYUVBKN-HNNXBMFYSA-N 0 3 360.410 2.553 20 5 FFBDHN Cc1cccc2c1OC[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000519763550 517170094 /nfs/dbraw/zinc/17/00/94/517170094.db2.gz GJBBWCLZPUZPLV-HNNXBMFYSA-N 0 3 355.394 2.825 20 5 FFBDHN CN(C)[C@@H](CNCCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000548761228 517196182 /nfs/dbraw/zinc/19/61/82/517196182.db2.gz VTYITRZUJHZEEA-HNNXBMFYSA-N 0 3 362.455 2.877 20 5 FFBDHN CN1CCN(c2cc(CN[C@@H]3CCc4c3cccc4[N+](=O)[O-])ccn2)CC1 ZINC000521272271 517677581 /nfs/dbraw/zinc/67/75/81/517677581.db2.gz WPKPDMUAWULZPC-GOSISDBHSA-N 0 3 367.453 2.519 20 5 FFBDHN Cc1cc(C(=O)N(C)CCCN(C)Cc2ccncc2)ccc1[N+](=O)[O-] ZINC000556933755 517757427 /nfs/dbraw/zinc/75/74/27/517757427.db2.gz MBGZUYNIRWHQHU-UHFFFAOYSA-N 0 3 356.426 2.892 20 5 FFBDHN COC(=O)COc1ccc(CN[C@H](C)Cc2ccsc2)cc1[N+](=O)[O-] ZINC000530441552 517775954 /nfs/dbraw/zinc/77/59/54/517775954.db2.gz VJXFNWHQRPZPEF-GFCCVEGCSA-N 0 3 364.423 2.929 20 5 FFBDHN CC(C)OCC[C@H](O)CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000521614380 517797494 /nfs/dbraw/zinc/79/74/94/517797494.db2.gz LUCDACAEUNEONV-AWEZNQCLSA-N 0 3 350.337 2.879 20 5 FFBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000563417331 517891609 /nfs/dbraw/zinc/89/16/09/517891609.db2.gz LUCJDXNTBIANLB-QKLQHJQFSA-N 0 3 367.449 2.807 20 5 FFBDHN CN1CC[C@](O)(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000547284770 518058691 /nfs/dbraw/zinc/05/86/91/518058691.db2.gz JZQLXKJXMJJXNB-KRWDZBQOSA-N 0 3 365.817 2.664 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)c1 ZINC000554113723 518065344 /nfs/dbraw/zinc/06/53/44/518065344.db2.gz UZBZMQFNSPGZBU-PMUMKWKESA-N 0 3 361.442 2.796 20 5 FFBDHN CN1CCN(CCCCNc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000539771392 518157945 /nfs/dbraw/zinc/15/79/45/518157945.db2.gz WMQRKHSAJPMIDG-UHFFFAOYSA-N 0 3 371.279 2.797 20 5 FFBDHN C[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC[C@H]1C ZINC000535371128 518176933 /nfs/dbraw/zinc/17/69/33/518176933.db2.gz FEGMICBIGZKLSS-ZIAGYGMSSA-N 0 3 358.442 2.998 20 5 FFBDHN CC(C)C[C@H]1C[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000581365856 518250694 /nfs/dbraw/zinc/25/06/94/518250694.db2.gz PKQZPTGFWCRFFG-ZBFHGGJFSA-N 0 3 370.471 2.552 20 5 FFBDHN CN(C)C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccc(Cl)cc1 ZINC000569845367 518321756 /nfs/dbraw/zinc/32/17/56/518321756.db2.gz MHMHQWCCQORXRH-GFCCVEGCSA-N 0 3 350.806 2.652 20 5 FFBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000570183746 518483064 /nfs/dbraw/zinc/48/30/64/518483064.db2.gz TUJOOQSJXAWHBR-HXUWFJFHSA-N 0 3 368.437 2.672 20 5 FFBDHN COCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000573093203 518504831 /nfs/dbraw/zinc/50/48/31/518504831.db2.gz MMDAYIXSTGVFAZ-UHFFFAOYSA-N 0 3 369.487 2.746 20 5 FFBDHN COc1cccc([N+](=O)[O-])c1NCc1ccccc1CN1CC[C@H](O)C1 ZINC000564587237 518514710 /nfs/dbraw/zinc/51/47/10/518514710.db2.gz XXTMKHSIQTYEBR-INIZCTEOSA-N 0 3 357.410 2.782 20 5 FFBDHN CCN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCOC(C)(C)C1 ZINC000573142702 518525278 /nfs/dbraw/zinc/52/52/78/518525278.db2.gz HGFJWUSNYGVJAS-MRXNPFEDSA-N 0 3 361.442 2.763 20 5 FFBDHN CCNc1ccc(C(=O)NCC2(SC)CCN(C)CC2)cc1[N+](=O)[O-] ZINC000570559487 518667022 /nfs/dbraw/zinc/66/70/22/518667022.db2.gz GMSVKOPKYOLKTC-UHFFFAOYSA-N 0 3 366.487 2.584 20 5 FFBDHN O=C(NC[C@H]1CCCCN1C1CC1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000579419903 518669012 /nfs/dbraw/zinc/66/90/12/518669012.db2.gz WPRSTNTUHCPZLQ-QGZVFWFLSA-N 0 3 374.441 2.516 20 5 FFBDHN CCOc1cc(N2CCN(C[C@@H](O)C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000582449709 518758044 /nfs/dbraw/zinc/75/80/44/518758044.db2.gz MQNNKFDUFGYHLL-QGZVFWFLSA-N 0 3 351.447 2.523 20 5 FFBDHN C[C@H](C(=O)NC[C@H](Cc1ccccc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000577042852 518887702 /nfs/dbraw/zinc/88/77/02/518887702.db2.gz CFGMNKFZYJHLBF-KXBFYZLASA-N 0 3 355.438 2.987 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)n1 ZINC000582853307 518954756 /nfs/dbraw/zinc/95/47/56/518954756.db2.gz XPYWFNXZHXMRGP-XQQFMLRXSA-N 0 3 350.419 2.555 20 5 FFBDHN CC(C)OCCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000589317823 518980376 /nfs/dbraw/zinc/98/03/76/518980376.db2.gz LXELYCWBAQXDST-UHFFFAOYSA-N 0 3 364.183 2.714 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CCCN(C)Cc1ccncc1 ZINC000574121646 518995439 /nfs/dbraw/zinc/99/54/39/518995439.db2.gz UNIXTYWLLKHRID-UHFFFAOYSA-N 0 3 356.426 2.892 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000589505987 519019891 /nfs/dbraw/zinc/01/98/91/519019891.db2.gz SVUPVLKBWIWCPX-YJBOKZPZSA-N 0 3 373.453 2.830 20 5 FFBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCN(c2ccnc3ccccc32)CC1 ZINC000568638762 519144199 /nfs/dbraw/zinc/14/41/99/519144199.db2.gz GILUVWLUPWEQSI-UHFFFAOYSA-N 0 3 366.425 2.994 20 5 FFBDHN C[C@H]1C[C@H]1N1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H](C)C1 ZINC000574473720 519171860 /nfs/dbraw/zinc/17/18/60/519171860.db2.gz FZTPMPAMXGDTQG-ZJNRKIDTSA-N 0 3 356.426 2.878 20 5 FFBDHN CC1CCN(c2ccc(C(=O)N3CC[C@H]4CN(C)C[C@@H]43)cc2[N+](=O)[O-])CC1 ZINC000590446585 519235989 /nfs/dbraw/zinc/23/59/89/519235989.db2.gz UWQQAOQUKZOFNY-LPHOPBHVSA-N 0 3 372.469 2.607 20 5 FFBDHN CC(C)N(CCN1CCCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000568897351 519273525 /nfs/dbraw/zinc/27/35/25/519273525.db2.gz MWIGLDZAYICGFM-UHFFFAOYSA-N 0 3 369.487 2.870 20 5 FFBDHN COc1cccc2c1CC[C@H]2NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566115817 519311629 /nfs/dbraw/zinc/31/16/29/519311629.db2.gz SITWLDYSXKJYKD-XJKSGUPXSA-N 0 3 358.394 2.620 20 5 FFBDHN CN(CCCN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1)Cc1ccncc1 ZINC000583758020 519420322 /nfs/dbraw/zinc/42/03/22/519420322.db2.gz QGBFUDVANRMEGZ-UHFFFAOYSA-N 0 3 360.389 2.723 20 5 FFBDHN CC(C)[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C2CC2)CCN1C ZINC000566383194 519465250 /nfs/dbraw/zinc/46/52/50/519465250.db2.gz ALRKKBITRPQKHY-KRWDZBQOSA-N 0 3 370.457 2.965 20 5 FFBDHN COc1ccccc1[C@]1(C)C[C@H]1NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000581126779 519537336 /nfs/dbraw/zinc/53/73/36/519537336.db2.gz DDIVRBWQBCIOTB-BEVDRBHNSA-N 0 3 372.421 2.663 20 5 FFBDHN CSC1(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCN(C)CC1 ZINC000584026640 519551936 /nfs/dbraw/zinc/55/19/36/519551936.db2.gz VRKCKTOHKFIPBR-UHFFFAOYSA-N 0 3 362.455 2.633 20 5 FFBDHN CC(C)(C)c1ccncc1CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000575248614 519571975 /nfs/dbraw/zinc/57/19/75/519571975.db2.gz MYSGLXXPEHWQRK-INIZCTEOSA-N 0 3 359.426 2.817 20 5 FFBDHN CN(C)CCN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000581214802 519580076 /nfs/dbraw/zinc/58/00/76/519580076.db2.gz MOFZTQGHPWFIGS-UHFFFAOYSA-N 0 3 355.385 2.748 20 5 FFBDHN Cc1c(Cl)cc(S(=O)(=O)N[C@H](C)CN(C)C(C)C)cc1[N+](=O)[O-] ZINC000581219837 519582468 /nfs/dbraw/zinc/58/24/68/519582468.db2.gz AIDPMGGDDJGDAL-SNVBAGLBSA-N 0 3 363.867 2.564 20 5 FFBDHN CCCN1CCC[C@H]1CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000581243435 519595358 /nfs/dbraw/zinc/59/53/58/519595358.db2.gz BOZYFIASBSZCRK-ZWKOTPCHSA-N 0 3 357.458 2.882 20 5 FFBDHN COc1ccc(OCCN2CCN(C)[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000602872301 519940915 /nfs/dbraw/zinc/94/09/15/519940915.db2.gz BTZRUEIJLNRKOQ-QGZVFWFLSA-N 0 3 351.447 2.644 20 5 FFBDHN C[C@@H](C(=O)N1CCN(c2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000612477937 519982795 /nfs/dbraw/zinc/98/27/95/519982795.db2.gz HEYQXNPAHFJUKC-CYBMUJFWSA-N 0 3 358.373 2.581 20 5 FFBDHN CC1(C)CCCN1CCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599998582 519993347 /nfs/dbraw/zinc/99/33/47/519993347.db2.gz HWKVNTQRWUCPRX-UHFFFAOYSA-N 0 3 370.247 2.962 20 5 FFBDHN Cn1nnc2c1CC[C@H](N[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C2 ZINC000594521182 520014281 /nfs/dbraw/zinc/01/42/81/520014281.db2.gz MIFKWBJSPQNLQO-OXJNMPFZSA-N 0 3 363.421 2.960 20 5 FFBDHN O=[N+]([O-])c1ccc(CN2CCC[C@H](N3CCOCC3)CC2)c(Cl)c1 ZINC000594616483 520057825 /nfs/dbraw/zinc/05/78/25/520057825.db2.gz DBKDRRJGSXOLAM-HNNXBMFYSA-N 0 3 353.850 2.935 20 5 FFBDHN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCNC2(CCCCC2)C1 ZINC000594628756 520061021 /nfs/dbraw/zinc/06/10/21/520061021.db2.gz ICNXNXGUVQXFLA-UHFFFAOYSA-N 0 3 369.425 2.529 20 5 FFBDHN COC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000591850041 520061597 /nfs/dbraw/zinc/06/15/97/520061597.db2.gz UQOOSTJGQQMCIC-NEPJUHHUSA-N 0 3 357.204 2.789 20 5 FFBDHN C[C@H](C(=O)N1CCCN(c2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000603085078 520069922 /nfs/dbraw/zinc/06/99/22/520069922.db2.gz ZWRYHRKQIDKEDT-AWEZNQCLSA-N 0 3 372.400 2.971 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H]1CCN(C(C)(C)C)C1 ZINC000594791310 520159844 /nfs/dbraw/zinc/15/98/44/520159844.db2.gz NWDXKHWYGFOISE-CQSZACIVSA-N 0 3 369.487 2.610 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](n2ccnc2)C1 ZINC000609157478 520213349 /nfs/dbraw/zinc/21/33/49/520213349.db2.gz UVIYIEFZGKHUGZ-INIZCTEOSA-N 0 3 357.414 2.765 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000609182333 520223442 /nfs/dbraw/zinc/22/34/42/520223442.db2.gz OVFCSYMIUWQCKF-UHFFFAOYSA-N 0 3 371.437 2.816 20 5 FFBDHN Cc1ccc(CNCc2ccc(CN3CC[C@H](O)C3)cc2)cc1[N+](=O)[O-] ZINC000594976281 520238533 /nfs/dbraw/zinc/23/85/33/520238533.db2.gz YIHRMRMDVRHTRA-IBGZPJMESA-N 0 3 355.438 2.760 20 5 FFBDHN CN1CCN(Cc2ccccc2)[C@@H](CNCc2ccccc2[N+](=O)[O-])C1 ZINC000594993690 520247446 /nfs/dbraw/zinc/24/74/46/520247446.db2.gz HAIXINXQIKPORF-IBGZPJMESA-N 0 3 354.454 2.501 20 5 FFBDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000609310214 520271306 /nfs/dbraw/zinc/27/13/06/520271306.db2.gz XIHMFEWEPXZRJV-MRXNPFEDSA-N 0 3 372.469 2.942 20 5 FFBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000597857340 520283713 /nfs/dbraw/zinc/28/37/13/520283713.db2.gz DUVNYXZRDXCNDY-OAHLLOKOSA-N 0 3 360.458 2.798 20 5 FFBDHN Cn1cc(C(=O)NC[C@@H]2CCN2C(C)(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597859835 520285586 /nfs/dbraw/zinc/28/55/86/520285586.db2.gz YWNRNMBXZLQLJQ-HNNXBMFYSA-N 0 3 371.441 2.598 20 5 FFBDHN O=C1N(CCN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@@H]2CCCCN12 ZINC000595102116 520294517 /nfs/dbraw/zinc/29/45/17/520294517.db2.gz JUAWXRAKGVASRS-WMZOPIPTSA-N 0 3 358.442 2.852 20 5 FFBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000609358851 520294967 /nfs/dbraw/zinc/29/49/67/520294967.db2.gz GBPRTJXAGSWZHM-GASCZTMLSA-N 0 3 363.462 2.569 20 5 FFBDHN CC(C)(C)N1CC[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000597921876 520324701 /nfs/dbraw/zinc/32/47/01/520324701.db2.gz HFSHBUNNHKDCHN-NSHDSACASA-N 0 3 357.357 2.799 20 5 FFBDHN CCN1CCCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000609522432 520342208 /nfs/dbraw/zinc/34/22/08/520342208.db2.gz KYHHSACEENKCSA-GFCCVEGCSA-N 0 3 355.822 2.570 20 5 FFBDHN CCN(C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000597943955 520343059 /nfs/dbraw/zinc/34/30/59/520343059.db2.gz BDTJCIOQKKMUDW-QGZVFWFLSA-N 0 3 374.485 2.997 20 5 FFBDHN CC(C)(C)OC(=O)C1(CNCc2csc([N+](=O)[O-])c2)CCOCC1 ZINC000592373069 520356244 /nfs/dbraw/zinc/35/62/44/520356244.db2.gz QIVVCLFPALQWGG-UHFFFAOYSA-N 0 3 356.444 2.884 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](c2cccc(F)c2)[C@H](N)C1 ZINC000595225210 520359597 /nfs/dbraw/zinc/35/95/97/520359597.db2.gz KCZYQUTXAPLKRH-HZPDHXFCSA-N 0 3 357.385 2.999 20 5 FFBDHN O=C(NCC(F)(F)F)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000603873534 520387042 /nfs/dbraw/zinc/38/70/42/520387042.db2.gz BPLBCOURSVJQHB-UHFFFAOYSA-N 0 3 359.348 2.528 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H]2C[C@H]2c2ccc(F)cc2F)c1 ZINC000600761476 520455043 /nfs/dbraw/zinc/45/50/43/520455043.db2.gz ZVEYXXCKODZULE-RPVQJOFSSA-N 0 3 364.348 2.758 20 5 FFBDHN O=C(NCC1(N2CCCC2)CCOCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000609875253 520465085 /nfs/dbraw/zinc/46/50/85/520465085.db2.gz IIKSSWSSKJNGDB-UHFFFAOYSA-N 0 3 367.833 2.623 20 5 FFBDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000598195617 520487585 /nfs/dbraw/zinc/48/75/85/520487585.db2.gz PRQWSXNOSRQUGZ-FQEVSTJZSA-N 0 3 367.449 2.913 20 5 FFBDHN Cc1n[nH]c(C(=O)N(C(C)C)[C@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000592873667 520626931 /nfs/dbraw/zinc/62/69/31/520626931.db2.gz QGBMVNAQZXQKAX-INIZCTEOSA-N 0 3 371.441 2.751 20 5 FFBDHN Cc1[nH]nc(C(=O)N(C(C)C)[C@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000592873667 520626936 /nfs/dbraw/zinc/62/69/36/520626936.db2.gz QGBMVNAQZXQKAX-INIZCTEOSA-N 0 3 371.441 2.751 20 5 FFBDHN Cc1cc(C(=O)N2CC3(CCCC3)OC[C@@H]2CN(C)C)ccc1[N+](=O)[O-] ZINC000598536605 520688044 /nfs/dbraw/zinc/68/80/44/520688044.db2.gz UBNZTIFZKVRDQT-INIZCTEOSA-N 0 3 361.442 2.619 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](OC(C)C)C1 ZINC000593055571 520712679 /nfs/dbraw/zinc/71/26/79/520712679.db2.gz LYLMZCJLVFLWBY-HNNXBMFYSA-N 0 3 365.430 2.821 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000595774009 520714987 /nfs/dbraw/zinc/71/49/87/520714987.db2.gz ZAZJKSDKZDDWPT-HZPDHXFCSA-N 0 3 371.441 2.576 20 5 FFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000598574742 520718928 /nfs/dbraw/zinc/71/89/28/520718928.db2.gz STJYGPMKZCWSHR-CQSZACIVSA-N 0 3 370.247 2.736 20 5 FFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C[C@H]1C ZINC000598605308 520737678 /nfs/dbraw/zinc/73/76/78/520737678.db2.gz BDQYJAZNMZSWNV-UKRRQHHQSA-N 0 3 369.487 2.705 20 5 FFBDHN COc1ccc(NC(=O)CCN2CCC(c3ccon3)CC2)c([N+](=O)[O-])c1 ZINC000595829524 520753089 /nfs/dbraw/zinc/75/30/89/520753089.db2.gz VTIVFTAALMHMPC-UHFFFAOYSA-N 0 3 374.397 2.800 20 5 FFBDHN O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000601589350 520853163 /nfs/dbraw/zinc/85/31/63/520853163.db2.gz BIUMZGQQPBHXCG-CQSZACIVSA-N 0 3 359.357 2.553 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CN[C@@H]1CCO[C@]3(CCSC3)C1)OCCO2 ZINC000610890038 520895002 /nfs/dbraw/zinc/89/50/02/520895002.db2.gz UYMJCDOUVDRAAB-CXAGYDPISA-N 0 3 366.439 2.510 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CN[C@@H]1CCO[C@@]3(CCSC3)C1)OCCO2 ZINC000610890039 520895325 /nfs/dbraw/zinc/89/53/25/520895325.db2.gz UYMJCDOUVDRAAB-DYVFJYSZSA-N 0 3 366.439 2.510 20 5 FFBDHN CN(C)[C@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000593392192 520960544 /nfs/dbraw/zinc/96/05/44/520960544.db2.gz PVZSXLRWVFRKRJ-KRWDZBQOSA-N 0 3 359.401 2.566 20 5 FFBDHN COC(=O)c1c(Cl)c(N2CC[C@]3(C2)CCCN(C)C3)ccc1[N+](=O)[O-] ZINC000596243052 520990151 /nfs/dbraw/zinc/99/01/51/520990151.db2.gz FONXUZCBHQCNJP-QGZVFWFLSA-N 0 3 367.833 2.957 20 5 FFBDHN C[C@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000599064216 521008928 /nfs/dbraw/zinc/00/89/28/521008928.db2.gz LDCUISGQIHRWAT-MAUKXSAKSA-N 0 3 369.469 2.605 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000614533760 521015557 /nfs/dbraw/zinc/01/55/57/521015557.db2.gz YBVUCQORRODMRE-HXUWFJFHSA-N 0 3 371.437 2.677 20 5 FFBDHN Cn1c(=O)oc2ccc(CN[C@@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)cc21 ZINC000599078624 521019214 /nfs/dbraw/zinc/01/92/14/521019214.db2.gz DNAFALVVGJAYCM-KGLIPLIRSA-N 0 3 371.397 2.510 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCN([C@@H]3CCC[C@@H]3O)CC2)nc1-c1ccccc1 ZINC000611181817 521027576 /nfs/dbraw/zinc/02/75/76/521027576.db2.gz KRISLMSWIFWTGK-AEFFLSMTSA-N 0 3 368.437 2.692 20 5 FFBDHN Cc1cc(N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)ncc1[N+](=O)[O-] ZINC000593496677 521033838 /nfs/dbraw/zinc/03/38/38/521033838.db2.gz VRLFQICXLHGHHM-RTBURBONSA-N 0 3 368.437 2.778 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2csc(N3CCC(N4CC[C@@H](O)C4)CC3)n2)cc1 ZINC000596539288 521122565 /nfs/dbraw/zinc/12/25/65/521122565.db2.gz OBZXUJRICGASOG-MRXNPFEDSA-N 0 3 374.466 2.754 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(C[C@@H]1COCCO1)C(F)(F)F ZINC000596618442 521168363 /nfs/dbraw/zinc/16/83/63/521168363.db2.gz BGTUGYLZUVZFJU-NEPJUHHUSA-N 0 3 362.304 2.826 20 5 FFBDHN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCN1CCCCC1 ZINC000593757460 521197640 /nfs/dbraw/zinc/19/76/40/521197640.db2.gz MZNPWAYPRJQKJM-UHFFFAOYSA-N 0 3 358.446 2.795 20 5 FFBDHN COc1nc(C)cc(C)c1CNC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602533625 521398674 /nfs/dbraw/zinc/39/86/74/521398674.db2.gz PBYGEQLONMVPRL-UHFFFAOYSA-N 0 3 371.441 2.769 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1cnccc1C ZINC000611939226 521401318 /nfs/dbraw/zinc/40/13/18/521401318.db2.gz PKEFYGHXFRFDQG-ZDUSSCGKSA-N 0 3 358.398 2.986 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCC(N[C@@H](CCO)c3ccccc3F)CC2)cn1 ZINC000602697399 521483211 /nfs/dbraw/zinc/48/32/11/521483211.db2.gz PKZNUYHEHYAJPW-SFHVURJKSA-N 0 3 374.416 2.811 20 5 FFBDHN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CC[C@@H](N2CCCC2)C1 ZINC000599829931 521497738 /nfs/dbraw/zinc/49/77/38/521497738.db2.gz NNAWWWYMZZNRQA-CYBMUJFWSA-N 0 3 355.398 2.845 20 5 FFBDHN CN1CC[C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])c4ccncc34)[C@H]2C1 ZINC000599832686 521501666 /nfs/dbraw/zinc/50/16/66/521501666.db2.gz IGUABJJKGAPLAH-SJCJKPOMSA-N 0 3 355.398 2.701 20 5 FFBDHN CC[C@@H](CN1CCCC1)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597105241 521509117 /nfs/dbraw/zinc/50/91/17/521509117.db2.gz XQCSRDCYONOJOJ-NSHDSACASA-N 0 3 355.826 2.826 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000602792261 521535085 /nfs/dbraw/zinc/53/50/85/521535085.db2.gz NEQFHQRVMYQWNT-UHFFFAOYSA-N 0 3 354.414 2.856 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@H](Cn4ccnn4)C3)o2)c1 ZINC000597173757 521556007 /nfs/dbraw/zinc/55/60/07/521556007.db2.gz IPGBFOTUEVUHNF-AWEZNQCLSA-N 0 3 353.382 2.968 20 5 FFBDHN Cc1ccc(Sc2ccc(CNC[C@@](C)(O)CO)cc2[N+](=O)[O-])cc1 ZINC000619464300 521582891 /nfs/dbraw/zinc/58/28/91/521582891.db2.gz PGMWLCUJQUKBSO-GOSISDBHSA-N 0 3 362.451 2.887 20 5 FFBDHN CN1CCN(CCCNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000535594617 562562186 /nfs/dbraw/zinc/56/21/86/562562186.db2.gz QVAOIICPGKMJBO-UHFFFAOYSA-N 0 3 355.442 2.706 20 5 FFBDHN C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824607568 609154903 /nfs/dbraw/zinc/15/49/03/609154903.db2.gz ZZGBIKVMQDFVCV-LLVKDONJSA-N 0 3 356.361 2.807 20 5 FFBDHN C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824607568 609154906 /nfs/dbraw/zinc/15/49/06/609154906.db2.gz ZZGBIKVMQDFVCV-LLVKDONJSA-N 0 3 356.361 2.807 20 5 FFBDHN C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1F ZINC000824605126 609337088 /nfs/dbraw/zinc/33/70/88/609337088.db2.gz FRLNDHKEMXIDEV-LLVKDONJSA-N 0 3 356.361 2.807 20 5 FFBDHN COc1cc(CN(C)CCCNC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000778947682 738423682 /nfs/dbraw/zinc/42/36/82/738423682.db2.gz YJKGTSCQTOZQBN-UHFFFAOYSA-N 0 3 353.419 2.950 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)C2CCN(C(C)C)CC2)cc1F ZINC000866453729 731061791 /nfs/dbraw/zinc/06/17/91/731061791.db2.gz STZIHDVJZRPTJI-UHFFFAOYSA-N 0 3 373.450 2.536 20 5 FFBDHN COc1cnc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c(F)c1 ZINC000870454423 731516403 /nfs/dbraw/zinc/51/64/03/731516403.db2.gz KPDJTCUWNOTPHG-PSLIRLAXSA-N 0 3 352.293 2.932 20 5 FFBDHN CC(C)[C@@H](CN[C@H](C)c1c(F)cccc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000872020346 731721423 /nfs/dbraw/zinc/72/14/23/731721423.db2.gz GJNAAKDXYZWAGP-RHSMWYFYSA-N 0 3 352.454 2.657 20 5 FFBDHN CCNC(=O)N1CC[C@@H](N[C@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000872047415 731724018 /nfs/dbraw/zinc/72/40/18/731724018.db2.gz BNDKTCBEVRLRPZ-VXGBXAGGSA-N 0 3 352.460 2.771 20 5 FFBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000874834508 732105551 /nfs/dbraw/zinc/10/55/51/732105551.db2.gz SFXIXUGLQUEWHR-KGLIPLIRSA-N 0 3 357.332 2.922 20 5 FFBDHN COC[C@@H](NC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(F)c(F)c1 ZINC000877132868 732327599 /nfs/dbraw/zinc/32/75/99/732327599.db2.gz PIYCORBXDCVQHG-ZEPSKSRBSA-N 0 3 352.341 2.750 20 5 FFBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1cc(Br)no1 ZINC000878566166 732555332 /nfs/dbraw/zinc/55/53/32/732555332.db2.gz UAGUEQKUUABRCZ-GFCCVEGCSA-N 0 3 370.203 2.553 20 5 FFBDHN Cc1csc([C@@H]2CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000880005890 732817331 /nfs/dbraw/zinc/81/73/31/732817331.db2.gz DSSVFENLICQCFG-UKRRQHHQSA-N 0 3 363.439 2.589 20 5 FFBDHN O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000733159368 734794379 /nfs/dbraw/zinc/79/43/79/734794379.db2.gz PEFOXDUOLAGIBO-CQSZACIVSA-N 0 3 367.833 2.621 20 5 FFBDHN C[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])N1CCCCC1 ZINC000750992103 735834345 /nfs/dbraw/zinc/83/43/45/735834345.db2.gz YMVFJIRRWCCSSL-NSHDSACASA-N 0 3 370.247 2.962 20 5 FFBDHN C[C@@H](NCCNC(=O)c1ccccc1Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788639472 739266879 /nfs/dbraw/zinc/26/68/79/739266879.db2.gz OVMMAUWWQDHWGI-LLVKDONJSA-N 0 3 362.817 2.911 20 5 FFBDHN COc1cc([C@H](C)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc([N+](=O)[O-])c1 ZINC000903120901 736034969 /nfs/dbraw/zinc/03/49/69/736034969.db2.gz PBMBPCFSWNSSJX-GHJWDPDVSA-N 0 3 356.444 2.610 20 5 FFBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1N1CCCC1 ZINC000763283790 736922869 /nfs/dbraw/zinc/92/28/69/736922869.db2.gz RJCPVGVNBGVRAX-GJZGRUSLSA-N 0 3 369.874 2.900 20 5 FFBDHN CCN1CCCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000910268758 737050622 /nfs/dbraw/zinc/05/06/22/737050622.db2.gz GUUWYZBXBJADGW-LLVKDONJSA-N 0 3 370.247 2.914 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2nc(CNCC3CC4(C3)OCCO4)cs2)c1 ZINC000922800432 738202111 /nfs/dbraw/zinc/20/21/11/738202111.db2.gz PNVMQGOSBGRUKO-UHFFFAOYSA-N 0 3 361.423 2.961 20 5 FFBDHN CN1C[C@H]2[C@@H](CCN2C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000930767462 739159939 /nfs/dbraw/zinc/15/99/39/739159939.db2.gz GOKOQHWBMVSXDQ-ZANVPECISA-N 0 3 358.320 2.781 20 5 FFBDHN CN(C)Cc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000790013712 739406143 /nfs/dbraw/zinc/40/61/43/739406143.db2.gz CODGNBRWLUKGFO-UHFFFAOYSA-N 0 3 354.359 2.563 20 5 FFBDHN Cc1c2cc(Br)ccc2oc(=O)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813107460 741678050 /nfs/dbraw/zinc/67/80/50/741678050.db2.gz NSZSJADHTWKWJF-ZETCQYMHSA-N 0 3 370.155 2.686 20 5 FFBDHN CC(C)N1CC[C@H](N(C)C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC000822152979 742702936 /nfs/dbraw/zinc/70/29/36/742702936.db2.gz VZSGLPZKJJPSIK-VIFPVBQESA-N 0 3 358.801 2.524 20 5 FFBDHN Cn1nccc1[C@@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000825046820 743201177 /nfs/dbraw/zinc/20/11/77/743201177.db2.gz YGWALANRRUUZDW-LRDDRELGSA-N 0 3 350.806 2.992 20 5 FFBDHN CCOC(=O)CC1(NCc2ccc([N+](=O)[O-])c(Cl)c2)CCOCC1 ZINC000827758133 744972264 /nfs/dbraw/zinc/97/22/64/744972264.db2.gz XQZRVJIKJGGAKF-UHFFFAOYSA-N 0 3 356.806 2.840 20 5 FFBDHN CC1(C)[C@H](NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]2CCCO[C@H]21 ZINC000831319777 745514449 /nfs/dbraw/zinc/51/44/49/745514449.db2.gz AHJPQWYWHJEWPS-IUIKQTSFSA-N 0 3 367.833 2.980 20 5 FFBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCCS(=O)(=O)C1CC1 ZINC000840879533 747210610 /nfs/dbraw/zinc/21/06/10/747210610.db2.gz PXLZIEYIPZKRPO-LBPRGKRZSA-N 0 3 358.485 2.632 20 5 FFBDHN Cc1sc(=O)n(CC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c1C ZINC000845873416 748340593 /nfs/dbraw/zinc/34/05/93/748340593.db2.gz DCICXCMEYKCUIJ-BMIGLBTASA-N 0 3 368.386 2.615 20 5 FFBDHN Cc1csc(=O)n1CCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845872286 748340707 /nfs/dbraw/zinc/34/07/07/748340707.db2.gz FZFJWUUVFXLIFL-NHYWBVRUSA-N 0 3 368.386 2.697 20 5 FFBDHN CC([C@@H](OC(=O)CN(C)[C@H]1CCSC1)c1ccccc1F)[N+](=O)[O-] ZINC000845875551 748341526 /nfs/dbraw/zinc/34/15/26/748341526.db2.gz LQAYOUWIPYLYEG-BFQNTYOBSA-N 0 3 356.419 2.513 20 5 FFBDHN COCc1ncsc1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845881490 748344312 /nfs/dbraw/zinc/34/43/12/748344312.db2.gz LHZIHUZVWZXUOZ-TVQRCGJNSA-N 0 3 354.359 2.992 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCC[S@@](=O)CC(F)(F)F)CCC2 ZINC000850497553 749376044 /nfs/dbraw/zinc/37/60/44/749376044.db2.gz VIBHSLIYJMMYMC-JCQPUDPBSA-N 0 3 350.362 2.873 20 5 FFBDHN COC[C@@H](NCc1cccc([N+](=O)[O-])c1Br)C1CCOCC1 ZINC000852320884 749833463 /nfs/dbraw/zinc/83/34/63/749833463.db2.gz GTBSHHDKBKPQKB-CYBMUJFWSA-N 0 3 373.247 2.889 20 5 FFBDHN C[C@H]1CCC[N@@H+](C(C)(C)CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001576179860 949926547 /nfs/dbraw/zinc/92/65/47/949926547.db2.gz MHNYZMAIGGBXHL-LBPRGKRZSA-N 0 3 359.434 2.697 20 5 FFBDHN C[C@H]1CCC[N@H+](C(C)(C)CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001576179860 949926565 /nfs/dbraw/zinc/92/65/65/949926565.db2.gz MHNYZMAIGGBXHL-LBPRGKRZSA-N 0 3 359.434 2.697 20 5 FFBDHN C[C@H]1CCC[N@@H+](C(C)(C)CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001576179860 949926588 /nfs/dbraw/zinc/92/65/88/949926588.db2.gz MHNYZMAIGGBXHL-LBPRGKRZSA-N 0 3 359.434 2.697 20 5 FFBDHN C[C@H]1CCC[N@H+](C(C)(C)CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001576179860 949926610 /nfs/dbraw/zinc/92/66/10/949926610.db2.gz MHNYZMAIGGBXHL-LBPRGKRZSA-N 0 3 359.434 2.697 20 5 FFBDHN Nc1ccc(C(=O)OCC2CCN(Cc3ccco3)CC2)cc1[N+](=O)[O-] ZINC000120612582 959933934 /nfs/dbraw/zinc/93/39/34/959933934.db2.gz RCXQXQCSRLQZJF-UHFFFAOYSA-N 0 3 359.382 2.839 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000134883579 960094050 /nfs/dbraw/zinc/09/40/50/960094050.db2.gz LOJGNWBUKQNTKH-QAPCUYQASA-N 0 3 353.422 2.917 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCCN(Cc3ccc(F)cc3)CC2)c2nonc21 ZINC000011380743 1013368914 /nfs/dbraw/zinc/36/89/14/1013368914.db2.gz NGSRGJPEFLKPIF-UHFFFAOYSA-N 0 3 371.372 2.982 20 5 FFBDHN C[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1cc2cnccc2o1 ZINC001175637683 1013518652 /nfs/dbraw/zinc/51/86/52/1013518652.db2.gz AYWXYNIWEMONJA-JSGCOSHPSA-N 0 3 357.366 2.827 20 5 FFBDHN C[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cnn(CC2CCC2)c1 ZINC001176849389 1013794742 /nfs/dbraw/zinc/79/47/42/1013794742.db2.gz MYPZOLWZGSFRJA-WMLDXEAASA-N 0 3 374.441 2.682 20 5 FFBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000874828471 1013910718 /nfs/dbraw/zinc/91/07/18/1013910718.db2.gz GZEHSYMZCCZGIV-SJORKVTESA-N 0 3 366.421 2.966 20 5 FFBDHN CC1CCN(CC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000121697033 979194066 /nfs/dbraw/zinc/19/40/66/979194066.db2.gz XJSXZGMUHSOUGS-UHFFFAOYSA-N 0 3 361.442 2.697 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000808795329 994270444 /nfs/dbraw/zinc/27/04/44/994270444.db2.gz TYRQLRJHOUPSBY-PMACEKPBSA-N 0 3 374.412 2.694 20 5 FFBDHN CCCCCCn1nc(C(=O)OCC(C)[N+](=O)[O-])c2ccccc2c1=O ZINC000813106694 995624495 /nfs/dbraw/zinc/62/44/95/995624495.db2.gz GLRWTBTVUJQIOD-CYBMUJFWSA-N 0 3 361.398 2.799 20 5 FFBDHN CC([C@H](OC(=O)[C@H](C)NC(=O)OC(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845875117 998677106 /nfs/dbraw/zinc/67/71/06/998677106.db2.gz LOIILMJYMYKPFJ-WDMOLILDSA-N 0 3 370.377 2.988 20 5 FFBDHN Cc1nn(C)c2ncc(C(=O)O[C@@H](c3ccccc3F)C(C)[N+](=O)[O-])cc12 ZINC000845873622 998677167 /nfs/dbraw/zinc/67/71/67/998677167.db2.gz VLHRIDBWWKWDDT-BDJLRTHQSA-N 0 3 372.356 2.979 20 5 FFBDHN CC([C@@H](OC(=O)CCCn1ccccc1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845874734 998677288 /nfs/dbraw/zinc/67/72/88/998677288.db2.gz ILWKPIVHGMJPCE-FZKQIMNGSA-N 0 3 362.357 2.717 20 5 FFBDHN CC([C@@H](OC(=O)c1ccc(N2CCCC2)nn1)c1ccccc1F)[N+](=O)[O-] ZINC000845878893 998677918 /nfs/dbraw/zinc/67/79/18/998677918.db2.gz WLOISGXPFHQKRP-YVEFUNNKSA-N 0 3 374.372 2.779 20 5 FFBDHN CC(C)CN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C1CCN(C)CC1 ZINC000733976481 999163186 /nfs/dbraw/zinc/16/31/86/999163186.db2.gz CPLCVHKVKJTQSA-UHFFFAOYSA-N 0 3 373.457 2.523 20 5 FFBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCN(c3ccc(C(F)(F)F)cn3)CC2)C1 ZINC001169027830 1000016077 /nfs/dbraw/zinc/01/60/77/1000016077.db2.gz QXSKPKIKCMHBKF-TZMCWYRMSA-N 0 3 358.364 2.668 20 5 FFBDHN Cc1cc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)c(N)c([N+](=O)[O-])c1 ZINC000771598407 1001155240 /nfs/dbraw/zinc/15/52/40/1001155240.db2.gz XSDLIICZCRORQV-UGSOOPFHSA-N 0 3 356.426 2.907 20 5 FFBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000791315586 1002664656 /nfs/dbraw/zinc/66/46/56/1002664656.db2.gz DFGZDSVMDNSCQG-KRWDZBQOSA-N 0 3 372.400 2.883 20 5 FFBDHN COC(=O)N1CCC[C@H]([C@H](C)NCc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000775819788 1004485334 /nfs/dbraw/zinc/48/53/34/1004485334.db2.gz QSYLQFCYWVUOMW-RYUDHWBXSA-N 0 3 369.393 2.699 20 5 FFBDHN CN(CCOCCNC(=O)OC(C)(C)C)CCc1cccc([N+](=O)[O-])c1 ZINC001193743035 1004558630 /nfs/dbraw/zinc/55/86/30/1004558630.db2.gz HPODHDLNKRHTPM-UHFFFAOYSA-N 0 3 367.446 2.610 20 5 FFBDHN Cc1c(CN[C@@H](CN2CCN(C)CC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000775618441 1004838090 /nfs/dbraw/zinc/83/80/90/1004838090.db2.gz ZQOOYEKZXTWQDH-FQEVSTJZSA-N 0 3 368.481 2.982 20 5 FFBDHN CN(C)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000006992995 1005715278 /nfs/dbraw/zinc/71/52/78/1005715278.db2.gz HZJKFJJMHRRNMG-UHFFFAOYSA-N 0 3 356.426 2.652 20 5 FFBDHN CCC[C@H](C)NC(=O)[C@@H]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776580509 1005961191 /nfs/dbraw/zinc/96/11/91/1005961191.db2.gz VYLMDUQXSLRZSW-LESCRADOSA-N 0 3 363.458 2.645 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@@H](c2ccncc2)C2(CO)CCC2)c1 ZINC000853134833 1006309384 /nfs/dbraw/zinc/30/93/84/1006309384.db2.gz YEINRCXDTBJRON-MSOLQXFVSA-N 0 3 357.410 2.517 20 5 FFBDHN Cc1c(CO)cc([N+](=O)[O-])c(N[C@@H](C)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000853866866 1006561352 /nfs/dbraw/zinc/56/13/52/1006561352.db2.gz BKAITXWKRHGPGA-LBPRGKRZSA-N 0 3 366.418 2.836 20 5 FFBDHN O=c1[n-]ccc(Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)c1[N+](=O)[O-] ZINC000882943985 1006570961 /nfs/dbraw/zinc/57/09/61/1006570961.db2.gz OQSNIQSXMNQRFG-OAHLLOKOSA-N 0 3 355.398 2.723 20 5 FFBDHN O=c1[n-]ccc(Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)c1[N+](=O)[O-] ZINC000882943985 1006570971 /nfs/dbraw/zinc/57/09/71/1006570971.db2.gz OQSNIQSXMNQRFG-OAHLLOKOSA-N 0 3 355.398 2.723 20 5 FFBDHN C[C@@H](NCc1cccc(N2CCOC2=O)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815563048 1006684452 /nfs/dbraw/zinc/68/44/52/1006684452.db2.gz SJYYGQYKISNMQL-GFCCVEGCSA-N 0 3 356.382 2.984 20 5 FFBDHN O=C(NC[C@@H]1CCN1C1CCCC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000858871543 1008442878 /nfs/dbraw/zinc/44/28/78/1008442878.db2.gz IUFQSNYEEPFPIE-INIZCTEOSA-N 0 3 358.442 2.679 20 5 FFBDHN C[C@@H]1[C@H](NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000823939073 1009287698 /nfs/dbraw/zinc/28/76/98/1009287698.db2.gz QUEZEVZAQKGBCF-CXAGYDPISA-N 0 3 369.425 2.962 20 5 FFBDHN CC(C)(C)Oc1cccc(CN[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC001179524808 1009351677 /nfs/dbraw/zinc/35/16/77/1009351677.db2.gz AABUUVPZRKXKEC-RTBURBONSA-N 0 3 374.437 2.956 20 5 FFBDHN CN(C)c1cc(F)c(C(=O)NC[C@@H]2CCN2C2CCCC2)cc1[N+](=O)[O-] ZINC000863031984 1010087504 /nfs/dbraw/zinc/08/75/04/1010087504.db2.gz KOOMDEYOQKXCAI-ZDUSSCGKSA-N 0 3 364.421 2.547 20 5 FFBDHN COCCOc1ncccc1CN[C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866232383 1010956518 /nfs/dbraw/zinc/95/65/18/1010956518.db2.gz DXGFARLJOXURBT-CYBMUJFWSA-N 0 3 363.389 2.875 20 5 FFBDHN COc1ccc(CC(=O)Nc2ccc(CN(C)C)cc2OC)cc1[N+](=O)[O-] ZINC000868815323 1011490091 /nfs/dbraw/zinc/49/00/91/1011490091.db2.gz XHDYLUMURVWPAY-UHFFFAOYSA-N 0 3 373.409 2.855 20 5 FFBDHN Cc1cc(N2CCN([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)ncn1 ZINC001172911424 1012123618 /nfs/dbraw/zinc/12/36/18/1012123618.db2.gz BREINMVQSJDQGU-SFHVURJKSA-N 0 3 367.453 2.763 20 5 FFBDHN CCn1cnc(CNC2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)c1 ZINC001173013109 1012183861 /nfs/dbraw/zinc/18/38/61/1012183861.db2.gz OYZBVGWVHPITRE-UHFFFAOYSA-N 0 3 365.384 2.848 20 5 FFBDHN CCO[C@H](C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-])C1CCOCC1 ZINC000870454554 1012389882 /nfs/dbraw/zinc/38/98/82/1012389882.db2.gz MIHGAABVIDIWBT-DQYPLSBCSA-N 0 3 369.389 2.907 20 5 FFBDHN CN(C)C1CC(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000647674787 1012562787 /nfs/dbraw/zinc/56/27/87/1012562787.db2.gz BYWKOJSOUBUOGT-UHFFFAOYSA-N 0 3 371.387 2.782 20 5 FFBDHN Cn1nnc2c1C[C@H](N[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)CC2 ZINC000927148636 1018381517 /nfs/dbraw/zinc/38/15/17/1018381517.db2.gz XHTBEVVLDCKWLS-OXQOHEQNSA-N 0 3 363.421 2.960 20 5 FFBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801836642 1019433231 /nfs/dbraw/zinc/43/32/31/1019433231.db2.gz POWUJVISLNVLMR-JSGCOSHPSA-N 0 3 372.400 2.881 20 5 FFBDHN C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@H](c1ccccc1)N(C)C ZINC000801952416 1019539080 /nfs/dbraw/zinc/53/90/80/1019539080.db2.gz WEXVLBVKNZBLQF-PIGZYNQJSA-N 0 3 360.389 2.737 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@@H](CO)c2ccccc2C(F)(F)F)cc1 ZINC000933241344 1020982825 /nfs/dbraw/zinc/98/28/25/1020982825.db2.gz KRAQNBJWGNIDHV-HOTGVXAUSA-N 0 3 370.327 2.970 20 5 FFBDHN CN(C(=O)CN1CCCC[C@H]([C@H]2CCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000934844350 1021426505 /nfs/dbraw/zinc/42/65/05/1021426505.db2.gz YZIPSESVWNNVGW-HOTGVXAUSA-N 0 3 361.442 2.696 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)CN1Cc1ccccc1 ZINC000188328620 1023056452 /nfs/dbraw/zinc/05/64/52/1023056452.db2.gz AJKOXLSZBHKRKE-ZFWWWQNUSA-N 0 3 354.410 2.570 20 5 FFBDHN CCOC(=O)Cc1ccc([N+](=O)[O-])c(O[C@H]2CNCc3ccccc32)c1 ZINC001218492833 1033180343 /nfs/dbraw/zinc/18/03/43/1033180343.db2.gz DJQLNPDPEHCAGR-SFHVURJKSA-N 0 3 356.378 2.924 20 5 FFBDHN CCN1CCN(CC(C)(C)NC(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000837135167 1025605256 /nfs/dbraw/zinc/60/52/56/1025605256.db2.gz PIVJVGIIVIXTKV-JQIJEIRASA-N 0 3 374.485 2.530 20 5 FFBDHN Cc1c(C(=O)N(C)[C@H]2CCN(C(C)C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000837186312 1025641551 /nfs/dbraw/zinc/64/15/51/1025641551.db2.gz PNEZJHGPDGODAA-ZDUSSCGKSA-N 0 3 364.402 2.675 20 5 FFBDHN O=[N+]([O-])c1cc(CO)c(NCC2(N3CCSCC3)CCCC2)cc1F ZINC001162140017 1028449397 /nfs/dbraw/zinc/44/93/97/1028449397.db2.gz JGDDATUMBVKGGE-UHFFFAOYSA-N 0 3 369.462 3.000 20 5 FFBDHN NCc1cn(-c2cnc(Cl)nc2Sc2ccc([N+](=O)[O-])cc2)cn1 ZINC001162298595 1028494546 /nfs/dbraw/zinc/49/45/46/1028494546.db2.gz KLKAKGHBRNDRII-UHFFFAOYSA-N 0 3 362.802 2.834 20 5 FFBDHN COC(=O)Cc1ccc(-n2c3ccccc3nc2[C@H](C)N)cc1[N+](=O)[O-] ZINC001162776868 1028652020 /nfs/dbraw/zinc/65/20/20/1028652020.db2.gz FKXKLYCFDZSRNH-NSHDSACASA-N 0 3 354.366 2.669 20 5 FFBDHN C[C@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000780763774 1028798239 /nfs/dbraw/zinc/79/82/39/1028798239.db2.gz OETHTRVLMBGZPI-CRAIPNDOSA-N 0 3 357.458 2.882 20 5 FFBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N(C)[C@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC001165184845 1029440161 /nfs/dbraw/zinc/44/01/61/1029440161.db2.gz YXBPZAUIUWRLPA-BEFAXECRSA-N 0 3 370.453 2.883 20 5 FFBDHN CN(C)Cc1ccccc1NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000781938843 1029483176 /nfs/dbraw/zinc/48/31/76/1029483176.db2.gz AZHTWWOHAFQNKB-SFHVURJKSA-N 0 3 368.393 2.788 20 5 FFBDHN O=C(CCN[C@@H](CO)c1ccc(F)cc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782532001 1029734225 /nfs/dbraw/zinc/73/42/25/1029734225.db2.gz VDCWBCDZHYDYMU-INIZCTEOSA-N 0 3 365.336 2.525 20 5 FFBDHN C[C@@H]1CC2(CN1Cn1cnc(-c3cccc([N+](=O)[O-])c3)n1)CCOCC2 ZINC000842639141 1030867266 /nfs/dbraw/zinc/86/72/66/1030867266.db2.gz OWZLTWZVMOEOAK-CQSZACIVSA-N 0 3 357.414 2.702 20 5 FFBDHN COC(=O)c1cccc2[n-]c([C@](F)(Cl)O[C@H](C)C[N+](C)(C)C)nc21 ZINC001223402747 1033428505 /nfs/dbraw/zinc/42/85/05/1033428505.db2.gz HDPKBOWWQBHCAB-QLJPJBMISA-O 0 3 358.821 2.779 20 5 FFBDHN COC(=O)c1cccc2nc([C@](F)(Cl)O[C@H](C)C[N+](C)(C)C)[n-]c21 ZINC001223402747 1033428515 /nfs/dbraw/zinc/42/85/15/1033428515.db2.gz HDPKBOWWQBHCAB-QLJPJBMISA-O 0 3 358.821 2.779 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000830456879 1033621327 /nfs/dbraw/zinc/62/13/27/1033621327.db2.gz MWQPOFULZMFYPN-HIFRSBDPSA-N 0 3 367.446 2.782 20 5 FFBDHN CC(C)N1CCC[C@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC001138093726 1033733982 /nfs/dbraw/zinc/73/39/82/1033733982.db2.gz WCCKJKZBMWOQGT-VIFPVBQESA-N 0 3 358.801 2.572 20 5 FFBDHN CCOc1cccc(CN(CCO)C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000832659927 1034898960 /nfs/dbraw/zinc/89/89/60/1034898960.db2.gz NHLJGKJMYYVUJI-IBGZPJMESA-N 0 3 360.410 2.521 20 5 FFBDHN CCOc1cccc(CN(CCO)C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000832660257 1034899328 /nfs/dbraw/zinc/89/93/28/1034899328.db2.gz STHVRCUDTUVFDD-IBGZPJMESA-N 0 3 360.410 2.521 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001536918880 1070086007 /nfs/dbraw/zinc/08/60/07/1070086007.db2.gz VEZUAOGTEFPIDP-APWZRJJASA-N 0 3 366.421 2.645 20 5 FFBDHN Cc1cccc(Cc2nc(-c3ccc4c(n3)CCNC4)no2)c1[N+](=O)[O-] ZINC001211429906 1040190181 /nfs/dbraw/zinc/19/01/81/1040190181.db2.gz LDWWUNQIELVWFW-UHFFFAOYSA-N 0 3 351.366 2.585 20 5 FFBDHN CCN(C)c1ncnc2c1CCN([C@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC001254563034 1040800249 /nfs/dbraw/zinc/80/02/49/1040800249.db2.gz WMJMUIWMIRPJHG-OAHLLOKOSA-N 0 3 369.469 2.873 20 5 FFBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC(NC(=O)N2CCCC2)CC1 ZINC001254571369 1040807257 /nfs/dbraw/zinc/80/72/57/1040807257.db2.gz UAMVJNQKNOKKAQ-HNNXBMFYSA-N 0 3 360.458 2.796 20 5 FFBDHN CC(C)Oc1ncnc2c1CCN([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254597593 1040827222 /nfs/dbraw/zinc/82/72/22/1040827222.db2.gz TWDNACCMJJHNQO-KRWDZBQOSA-N 0 3 368.437 2.740 20 5 FFBDHN Cc1cc(O[C@@H]2CCCN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)ncn1 ZINC001254610335 1040838916 /nfs/dbraw/zinc/83/89/16/1040838916.db2.gz JQOQRMZIKMLXIF-ZWKOTPCHSA-N 0 3 354.410 2.704 20 5 FFBDHN COc1cccc(O[C@@H]2CCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)n1 ZINC001254610256 1040839987 /nfs/dbraw/zinc/83/99/87/1040839987.db2.gz ISCXLIFGQDZQNH-IAGOWNOFSA-N 0 3 355.394 2.619 20 5 FFBDHN CC(C)N(C)Cc1cc(O[C@H]2CCN(c3ccncc3[N+](=O)[O-])C2)ccn1 ZINC001261757823 1041401035 /nfs/dbraw/zinc/40/10/35/1041401035.db2.gz FMZLCFNBBSQBOA-KRWDZBQOSA-N 0 3 371.441 2.883 20 5 FFBDHN Cc1ccc([C@H](C)NC(=O)c2ccc3c(c2)OCCNC3)cc1[N+](=O)[O-] ZINC001263091294 1042096541 /nfs/dbraw/zinc/09/65/41/1042096541.db2.gz JQROSNQVWTVIAS-ZDUSSCGKSA-N 0 3 355.394 2.876 20 5 FFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCCN1C ZINC001539396566 1070629695 /nfs/dbraw/zinc/62/96/95/1070629695.db2.gz NCXMVNNEUOGGGJ-NSHDSACASA-N 0 3 370.247 2.880 20 5 FFBDHN CN1CCCC[C@H]1CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC001539397627 1070631143 /nfs/dbraw/zinc/63/11/43/1070631143.db2.gz VEANEKQBKZMJLL-ZDUSSCGKSA-N 0 3 355.822 2.618 20 5 FFBDHN CC(C)n1ncc2c1[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC001329139598 1048592815 /nfs/dbraw/zinc/59/28/15/1048592815.db2.gz AYJBHBLXOHHRFQ-HOTGVXAUSA-N 0 3 374.441 2.779 20 5 FFBDHN CC[C@H]1CN(c2nnc([C@H](C)[N+](=O)[O-])n2CC)CCN1Cc1ccccc1 ZINC001341000718 1051337411 /nfs/dbraw/zinc/33/74/11/1051337411.db2.gz DEKJDMXFUGJNMI-RDJZCZTQSA-N 0 3 372.473 2.737 20 5 FFBDHN C[C@H]1[C@@H](NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CCN1C ZINC001303800977 1051449828 /nfs/dbraw/zinc/44/98/28/1051449828.db2.gz KHPOSVGFDNCRIL-HOCLYGCPSA-N 0 3 360.458 2.654 20 5 FFBDHN O=C(c1ccc([N+](=O)[O-])cc1)N1C[C@H](C[C@H]2COCCN2)c2ccccc21 ZINC001341360660 1051718900 /nfs/dbraw/zinc/71/89/00/1051718900.db2.gz QFMZDLFFTSYLGQ-HOTGVXAUSA-N 0 3 367.405 2.717 20 5 FFBDHN COc1cccc([C@H]2CN(Cc3cc([N+](=O)[O-])ccc3OC)CCN2)c1 ZINC001308022615 1052386866 /nfs/dbraw/zinc/38/68/66/1052386866.db2.gz QAVAGBHJVHHNLA-GOSISDBHSA-N 0 3 357.410 2.759 20 5 FFBDHN CC(COC(=O)c1cnn(Cc2ccccc2)c1Br)[N+](=O)[O-] ZINC001346124202 1052758996 /nfs/dbraw/zinc/75/89/96/1052758996.db2.gz SQGCXOPTNNASGC-SNVBAGLBSA-N 0 3 368.187 2.516 20 5 FFBDHN C[C@H](CN1CCCCC1)NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001543577168 1071502429 /nfs/dbraw/zinc/50/24/29/1071502429.db2.gz ADLDXIPZMAFVNS-CYBMUJFWSA-N 0 3 356.426 2.934 20 5 FFBDHN CC(C)OCCN1CCC(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC001545342651 1071766307 /nfs/dbraw/zinc/76/63/07/1071766307.db2.gz VWZFPGSELATKJU-UHFFFAOYSA-N 0 3 369.849 2.867 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@H]3CCCN3Cc3ccccc32)n1 ZINC001354985767 1059734305 /nfs/dbraw/zinc/73/43/05/1059734305.db2.gz ZXTCKRGVBYHZKN-OAHLLOKOSA-N 0 3 352.394 2.923 20 5 FFBDHN O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1CN1CC[C@@H](C2CCOCC2)C1 ZINC000848481749 1060116155 /nfs/dbraw/zinc/11/61/55/1060116155.db2.gz CQRJQHWOQYASOZ-IEBWSBKVSA-N 0 3 373.453 2.617 20 5 FFBDHN CC[C@@H](c1ccccc1)N1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC001459578073 1060776228 /nfs/dbraw/zinc/77/62/28/1060776228.db2.gz KNJMEBZZQNIZFL-SFHVURJKSA-N 0 3 357.458 2.869 20 5 FFBDHN C[C@]1(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CN2CCC1CC2 ZINC001461477283 1061329284 /nfs/dbraw/zinc/32/92/84/1061329284.db2.gz QMOMADYSFQZDBF-KRWDZBQOSA-N 0 3 367.833 2.618 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001465900086 1063255321 /nfs/dbraw/zinc/25/53/21/1063255321.db2.gz NFOFCXZTVPPUMS-BDJLRTHQSA-N 0 3 354.410 2.543 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1Cc2c[nH]nc2C[C@@H](C)C1 ZINC001473797162 1065365328 /nfs/dbraw/zinc/36/53/28/1065365328.db2.gz NXYJMITYFBBGEB-GFCCVEGCSA-N 0 3 357.414 2.649 20 5 FFBDHN O=C(CNC1([C@@H]2CCCO2)CCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001473890692 1065407824 /nfs/dbraw/zinc/40/78/24/1065407824.db2.gz ZYQPHVQUDMOERT-AWEZNQCLSA-N 0 3 353.806 2.878 20 5 FFBDHN CCCN(CCN1CCCCC1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC001556566511 1075753912 /nfs/dbraw/zinc/75/39/12/1075753912.db2.gz WSFYMAJTTRZUIU-UHFFFAOYSA-N 0 3 362.474 2.756 20 5 FFBDHN CN(C)[C@H]1C[C@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC001557698918 1075875880 /nfs/dbraw/zinc/87/58/80/1075875880.db2.gz YJVVVTWHOUDPPP-IRXDYDNUSA-N 0 3 359.426 2.547 20 5 FFBDHN C[C@H](CN1CCC[C@H](C)C1)Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001559080732 1076123948 /nfs/dbraw/zinc/12/39/48/1076123948.db2.gz SFLVBJFRNGERJM-UONOGXRCSA-N 0 3 358.442 2.979 20 5 FFBDHN C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCN1C1CCCC1 ZINC001559280885 1076145533 /nfs/dbraw/zinc/14/55/33/1076145533.db2.gz YYMLLRHYRSFPIJ-ZDUSSCGKSA-N 0 3 358.442 2.933 20 5 FFBDHN Cc1nnc(CCN(Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)o1 ZINC001559944269 1076204104 /nfs/dbraw/zinc/20/41/04/1076204104.db2.gz KQSOJIAJIBIZMD-WKILWMFISA-N 0 3 360.414 2.634 20 5 FFBDHN O=[N+]([O-])c1cc(F)ccc1CN[C@]1(CO)CCCN(Cc2ccccc2)C1 ZINC001560134396 1076232700 /nfs/dbraw/zinc/23/27/00/1076232700.db2.gz DNJYTZOIKIWMSD-HXUWFJFHSA-N 0 3 373.428 2.851 20 5 FFBDHN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)CN2CCCC2)cc1[N+](=O)[O-] ZINC001561588575 1076395579 /nfs/dbraw/zinc/39/55/79/1076395579.db2.gz HKPUCEJRINJPDQ-HNNXBMFYSA-N 0 3 369.487 2.692 20 5 FFBDHN CC1CC[NH+](CCCCNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC001590272097 1081134848 /nfs/dbraw/zinc/13/48/48/1081134848.db2.gz NFNGREBJNYSCNA-UHFFFAOYSA-N 0 3 359.434 2.699 20 5 FFBDHN COc1ccc(C[C@@](C)(CO)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC001620623681 1126241187 /nfs/dbraw/zinc/24/11/87/1126241187.db2.gz DUJCXTCIJOBJGO-IBGZPJMESA-N 0 3 370.409 2.563 20 5 FFBDHN COc1c(O)ccc(CN[C@@H](CO)Cc2ccc(C)c(C)c2)c1[N+](=O)[O-] ZINC001621376667 1126246220 /nfs/dbraw/zinc/24/62/20/1126246220.db2.gz KJMPSMFJFSSYOV-MRXNPFEDSA-N 0 3 360.410 2.619 20 5 FFBDHN CC(=O)NC[C@H]1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000104679026 250182162 /nfs/dbraw/zinc/18/21/62/250182162.db2.gz TWJVMYCBWWNHKB-OAHLLOKOSA-N 0 3 372.425 2.640 20 5 FFBDHN CCCc1n[nH]c(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)c1[N+](=O)[O-] ZINC000192548458 251287005 /nfs/dbraw/zinc/28/70/05/251287005.db2.gz WQTQIJVUHZZIRU-INIZCTEOSA-N 0 3 367.409 2.853 20 5 FFBDHN O=[N+]([O-])c1cc(Br)ccc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000267413132 251349912 /nfs/dbraw/zinc/34/99/12/251349912.db2.gz SAOMRRBGCKGOEA-GFCCVEGCSA-N 0 3 370.247 2.516 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)C[C@@H](O)COCCOC(C)C ZINC000272283969 252000088 /nfs/dbraw/zinc/00/00/88/252000088.db2.gz FUQFVNRXNGFUSA-DOTOQJQBSA-N 0 3 354.447 2.699 20 5 FFBDHN COc1cc(CNC[C@H](C)C[C@@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000272388158 252026173 /nfs/dbraw/zinc/02/61/73/252026173.db2.gz IOFZLHCHKCJROP-GHMZBOCLSA-N 0 3 362.373 2.744 20 5 FFBDHN Cc1nccn1CCCCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272557529 252068424 /nfs/dbraw/zinc/06/84/24/252068424.db2.gz SMTCDIDYIGWHMG-GOSISDBHSA-N 0 3 368.441 2.993 20 5 FFBDHN Cc1nccn1C[C@H](C)CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272566822 252069279 /nfs/dbraw/zinc/06/92/79/252069279.db2.gz VARMKELQEGTKLC-KDOFPFPSSA-N 0 3 368.441 2.849 20 5 FFBDHN C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1=CCN(C)CC1 ZINC000272942326 252170905 /nfs/dbraw/zinc/17/09/05/252170905.db2.gz MCEHFBXEZRNIIU-JTQLQIEISA-N 0 3 370.356 2.968 20 5 FFBDHN Cc1cc(NC[C@@H]2COC3(CCOCC3)O2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272808618 252136459 /nfs/dbraw/zinc/13/64/59/252136459.db2.gz GLOYPPYSEBTBOX-CQSZACIVSA-N 0 3 359.382 2.785 20 5 FFBDHN Cc1c(C(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000273204596 252249692 /nfs/dbraw/zinc/24/96/92/252249692.db2.gz AJEODNGLUMMAJQ-LBPRGKRZSA-N 0 3 364.402 2.614 20 5 FFBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000273212516 252252599 /nfs/dbraw/zinc/25/25/99/252252599.db2.gz BVBZPKILAKPGKX-NSHDSACASA-N 0 3 371.384 2.999 20 5 FFBDHN COC[C@@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCCO1 ZINC000279092583 256381041 /nfs/dbraw/zinc/38/10/41/256381041.db2.gz PNEDYPUYBIQMHM-HZPDHXFCSA-N 0 3 361.398 2.576 20 5 FFBDHN Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000288355670 257179436 /nfs/dbraw/zinc/17/94/36/257179436.db2.gz WIUIJOAFPPHACD-JSGCOSHPSA-N 0 3 362.386 2.510 20 5 FFBDHN CCn1c(C)nc([N+](=O)[O-])c1NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000288825230 257230656 /nfs/dbraw/zinc/23/06/56/257230656.db2.gz IMBZQKZYVBLAMJ-UHFFFAOYSA-N 0 3 373.457 2.688 20 5 FFBDHN COc1ccc(NC(=O)CCN2CCCc3occc3C2)c([N+](=O)[O-])c1 ZINC000288861233 257232952 /nfs/dbraw/zinc/23/29/52/257232952.db2.gz PTZAUGMLKZKBBH-UHFFFAOYSA-N 0 3 359.382 2.973 20 5 FFBDHN CN1CCN(CC2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000289413330 257279844 /nfs/dbraw/zinc/27/98/44/257279844.db2.gz IDXGXGRKRDNVEY-UHFFFAOYSA-N 0 3 366.893 2.708 20 5 FFBDHN CC1(C)CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H]1[C@H]1CCCO1 ZINC000289969485 257309289 /nfs/dbraw/zinc/30/92/89/257309289.db2.gz XELNISAFCGOFOM-WBVHZDCISA-N 0 3 365.405 2.952 20 5 FFBDHN O=[N+]([O-])c1cc(I)cc(CNCC2=CCCOC2)c1 ZINC000289999558 257310819 /nfs/dbraw/zinc/31/08/19/257310819.db2.gz YAHSCCNLEAHUML-UHFFFAOYSA-N 0 3 374.178 2.636 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000290485488 257334789 /nfs/dbraw/zinc/33/47/89/257334789.db2.gz VQLDGZPIPOMGTA-DOTOQJQBSA-N 0 3 370.361 2.524 20 5 FFBDHN CO[C@@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1(C)C ZINC000296103505 257671649 /nfs/dbraw/zinc/67/16/49/257671649.db2.gz RCVJTVIYBOLWPZ-OAHLLOKOSA-N 0 3 353.394 2.809 20 5 FFBDHN CN(C)CCN1CCC(Nc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301110077 258026189 /nfs/dbraw/zinc/02/61/89/258026189.db2.gz XVGFTHQACMYHQS-UHFFFAOYSA-N 0 3 371.279 2.795 20 5 FFBDHN COCCCNCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000299578181 258006983 /nfs/dbraw/zinc/00/69/83/258006983.db2.gz CRPNIKBSKFDFEM-UHFFFAOYSA-N 0 3 352.309 2.671 20 5 FFBDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1cccc(F)c1[N+](=O)[O-] ZINC000302466553 258102819 /nfs/dbraw/zinc/10/28/19/258102819.db2.gz SQUSGWZJMODIEX-LJQANCHMSA-N 0 3 359.401 2.807 20 5 FFBDHN Cc1nc(N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000301736145 258065636 /nfs/dbraw/zinc/06/56/36/258065636.db2.gz VCAKYMNXXNUSGO-IAGOWNOFSA-N 0 3 356.426 2.593 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)CCCN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301996819 258081124 /nfs/dbraw/zinc/08/11/24/258081124.db2.gz OUXVRMUCWQCAEX-HNNXBMFYSA-N 0 3 366.425 2.738 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000331900394 258205253 /nfs/dbraw/zinc/20/52/53/258205253.db2.gz GWUCUGCCKBAICO-AWEZNQCLSA-N 0 3 367.471 2.507 20 5 FFBDHN Cn1cc(N2CC[C@@H](NCc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2)cn1 ZINC000370902851 512126040 /nfs/dbraw/zinc/12/60/40/512126040.db2.gz CXAKYWFQPJYIKI-OAHLLOKOSA-N 0 3 367.409 2.957 20 5 FFBDHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Br)s1 ZINC000444757711 514317746 /nfs/dbraw/zinc/31/77/46/514317746.db2.gz AGUJDVXTBBDODB-VIFPVBQESA-N 0 3 372.244 2.931 20 5 FFBDHN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000377137662 512137371 /nfs/dbraw/zinc/13/73/71/512137371.db2.gz AFICFJJEANACOC-UHFFFAOYSA-N 0 3 374.485 2.792 20 5 FFBDHN C[C@@H]1CN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[C@H](C)CN1 ZINC000415686470 513379029 /nfs/dbraw/zinc/37/90/29/513379029.db2.gz AJFBRCVUGSFEFM-RKDXNWHRSA-N 0 3 357.208 2.571 20 5 FFBDHN CN(C)CCN(Cc1ccccc1F)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000065893573 506386000 /nfs/dbraw/zinc/38/60/00/506386000.db2.gz VORIEFXXKXRZBA-UHFFFAOYSA-N 0 3 374.416 2.736 20 5 FFBDHN CN(C)C(C)(C)CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000041798671 506553034 /nfs/dbraw/zinc/55/30/34/506553034.db2.gz LNQYBIZMPACHKI-UHFFFAOYSA-N 0 3 351.450 2.611 20 5 FFBDHN C[C@@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCCC[C@@H]1C ZINC000067830431 507020520 /nfs/dbraw/zinc/02/05/20/507020520.db2.gz LCVDQMPWFRYJEE-GJZGRUSLSA-N 0 3 358.442 2.929 20 5 FFBDHN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@H]1CN1CCCCC1 ZINC000068132714 507124949 /nfs/dbraw/zinc/12/49/49/507124949.db2.gz ZQKOQVLEPMEVCA-INIZCTEOSA-N 0 3 361.442 2.841 20 5 FFBDHN CN(C)[C@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000068341133 507194003 /nfs/dbraw/zinc/19/40/03/507194003.db2.gz JSJYNADNIYORKS-INIZCTEOSA-N 0 3 363.461 2.707 20 5 FFBDHN C[C@H](NC(C)(C)CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000068387685 507211867 /nfs/dbraw/zinc/21/18/67/507211867.db2.gz TWLAMTSJOJAONQ-AWEZNQCLSA-N 0 3 373.457 2.772 20 5 FFBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000068386566 507212327 /nfs/dbraw/zinc/21/23/27/507212327.db2.gz IOBKQKDMVPZSOY-CQSZACIVSA-N 0 3 373.457 2.735 20 5 FFBDHN O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cccc(CN2CCCC2)c1 ZINC000068520288 507253956 /nfs/dbraw/zinc/25/39/56/507253956.db2.gz XNNCWMPRGHQQGB-UHFFFAOYSA-N 0 3 369.421 2.999 20 5 FFBDHN CC(C)N1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000068798955 507329271 /nfs/dbraw/zinc/32/92/71/507329271.db2.gz KJEICGICVADOOW-UHFFFAOYSA-N 0 3 360.458 2.751 20 5 FFBDHN Cc1cc(N2CCN(CC3CC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000057827659 507336795 /nfs/dbraw/zinc/33/67/95/507336795.db2.gz ZTFBUXRGNXODQI-UHFFFAOYSA-N 0 3 353.426 2.892 20 5 FFBDHN C[C@H]1CCCN(c2ccc(C(=O)NC3CCN(C)CC3)cc2[N+](=O)[O-])C1 ZINC000023751377 507372397 /nfs/dbraw/zinc/37/23/97/507372397.db2.gz QZWLXOSTTATREB-AWEZNQCLSA-N 0 3 360.458 2.655 20 5 FFBDHN CC(C)N1CCC[C@@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000069064070 507392576 /nfs/dbraw/zinc/39/25/76/507392576.db2.gz IQSHYWCJVBPKIS-ZDUSSCGKSA-N 0 3 355.460 2.531 20 5 FFBDHN C[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000026713225 507603991 /nfs/dbraw/zinc/60/39/91/507603991.db2.gz XIWLHQOHSZOVIU-RISCZKNCSA-N 0 3 352.337 2.964 20 5 FFBDHN CCC[C@H](C)NC(=O)[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000051049487 507727828 /nfs/dbraw/zinc/72/78/28/507727828.db2.gz PZXFFLJUADVAOK-HOTGVXAUSA-N 0 3 363.458 2.990 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCC[NH+](C(C)C)C(C)C ZINC000072717130 507846241 /nfs/dbraw/zinc/84/62/41/507846241.db2.gz OGUIVYGTZCQWRT-UHFFFAOYSA-N 0 3 357.476 2.690 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(CC3CC3)C2)cc1SC ZINC000108305799 507886297 /nfs/dbraw/zinc/88/62/97/507886297.db2.gz NPVDBJPOUVGOTL-GFCCVEGCSA-N 0 3 365.455 2.539 20 5 FFBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000108305863 507886350 /nfs/dbraw/zinc/88/63/50/507886350.db2.gz IRJKUBKZTNWJIQ-BXUZGUMPSA-N 0 3 367.833 2.616 20 5 FFBDHN CN(C)[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1cccs1 ZINC000078923436 507916565 /nfs/dbraw/zinc/91/65/65/507916565.db2.gz YHAFNWTXLIHQDW-ZDUSSCGKSA-N 0 3 359.411 2.565 20 5 FFBDHN O=[N+]([O-])c1ccn(Cc2nc(-c3cccc(CN4CCCCC4)c3)no2)n1 ZINC000109570170 507969508 /nfs/dbraw/zinc/96/95/08/507969508.db2.gz PNDCGLZUPVWHTB-UHFFFAOYSA-N 0 3 368.397 2.876 20 5 FFBDHN CCN1CCCC[C@H]1CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000110992513 508063897 /nfs/dbraw/zinc/06/38/97/508063897.db2.gz PMGBJZIJPOYQAR-LBPRGKRZSA-N 0 3 367.471 2.930 20 5 FFBDHN C[C@H]1CN(CCCCNC(=O)/C=C/c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000083043592 508234813 /nfs/dbraw/zinc/23/48/13/508234813.db2.gz MKCLJIMBECHRSI-IGXNXKSNSA-N 0 3 361.442 2.614 20 5 FFBDHN CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CCN(Cc2ccccc2)CC1 ZINC000113208015 508251042 /nfs/dbraw/zinc/25/10/42/508251042.db2.gz GQZITVHNTYSBGG-UHFFFAOYSA-N 0 3 368.437 2.914 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@H](Nc3ccccc3)C2)c1 ZINC000076757176 508251408 /nfs/dbraw/zinc/25/14/08/508251408.db2.gz PEFMUNWZNDACBX-WMZOPIPTSA-N 0 3 357.410 2.521 20 5 FFBDHN NC(=O)c1ccc(CN2CC[C@H](Cc3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000076805932 508255469 /nfs/dbraw/zinc/25/54/69/508255469.db2.gz OXYKSAUPQJJPLV-CQSZACIVSA-N 0 3 357.385 2.897 20 5 FFBDHN CN(C)CCOc1ccccc1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000102006656 508264428 /nfs/dbraw/zinc/26/44/28/508264428.db2.gz AWJOIJSLNFGRHV-UHFFFAOYSA-N 0 3 372.425 2.535 20 5 FFBDHN C[C@H](CO)NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000102424168 508274847 /nfs/dbraw/zinc/27/48/47/508274847.db2.gz LAHVPHUWUBHPDQ-CQSZACIVSA-N 0 3 352.394 2.918 20 5 FFBDHN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC1CCN(C2CC2)CC1 ZINC000077188377 508285251 /nfs/dbraw/zinc/28/52/51/508285251.db2.gz OANPTIILCZCVMN-UHFFFAOYSA-N 0 3 351.378 2.949 20 5 FFBDHN CCOc1ccc(NC(=O)CN(C(C)C)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000077357020 508305005 /nfs/dbraw/zinc/30/50/05/508305005.db2.gz MRTGFJRQYXPFJY-UHFFFAOYSA-N 0 3 365.430 2.821 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000114641562 508332965 /nfs/dbraw/zinc/33/29/65/508332965.db2.gz RGKXQMXLPAYCTA-INIZCTEOSA-N 0 3 369.421 2.998 20 5 FFBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCN1C ZINC000121869895 508436936 /nfs/dbraw/zinc/43/69/36/508436936.db2.gz AXTBWXRWQFSWJJ-MFKMUULPSA-N 0 3 370.247 2.912 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000156671450 508459926 /nfs/dbraw/zinc/45/99/26/508459926.db2.gz ZTLHAKWTCNYICR-YJBOKZPZSA-N 0 3 368.437 2.643 20 5 FFBDHN CCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SCCOC ZINC000128093413 508546747 /nfs/dbraw/zinc/54/67/47/508546747.db2.gz KMONPESPZAYWIK-CQSZACIVSA-N 0 3 367.471 2.547 20 5 FFBDHN CC[C@@H]1CCCCN1CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000157709330 508601177 /nfs/dbraw/zinc/60/11/77/508601177.db2.gz MWBBTOCVUNKOAR-OAHLLOKOSA-N 0 3 371.441 2.775 20 5 FFBDHN Cc1c(NC(=O)CCN(C)[C@H]2CCCc3c2cnn3C)cccc1[N+](=O)[O-] ZINC000135563840 508624777 /nfs/dbraw/zinc/62/47/77/508624777.db2.gz JDILXTWDKGCAIT-KRWDZBQOSA-N 0 3 371.441 2.975 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H]1CCCc2c1cnn2C ZINC000135575564 508625330 /nfs/dbraw/zinc/62/53/30/508625330.db2.gz OVJZHKYGZZIDNO-QGZVFWFLSA-N 0 3 371.441 2.975 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@H]1CCCc2c1cnn2C ZINC000135575585 508625820 /nfs/dbraw/zinc/62/58/20/508625820.db2.gz OVJZHKYGZZIDNO-KRWDZBQOSA-N 0 3 371.441 2.975 20 5 FFBDHN COC[C@@H](O)CCNCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000153759603 508643452 /nfs/dbraw/zinc/64/34/52/508643452.db2.gz KTYBEYKJPGVPGT-KRWDZBQOSA-N 0 3 359.426 2.850 20 5 FFBDHN O=C(CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccccc1F ZINC000118866182 508689202 /nfs/dbraw/zinc/68/92/02/508689202.db2.gz SFMJZUSUQMMZDR-ZDUSSCGKSA-N 0 3 373.388 2.644 20 5 FFBDHN CCCN1CCC(N(C)S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)CC1 ZINC000154286076 508752020 /nfs/dbraw/zinc/75/20/20/508752020.db2.gz LJJHGTRUBVHONN-UHFFFAOYSA-N 0 3 373.450 2.537 20 5 FFBDHN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCN(C2CCCCC2)CC1 ZINC000154599878 508817116 /nfs/dbraw/zinc/81/71/16/508817116.db2.gz WTLQXPMPROXSDA-UHFFFAOYSA-N 0 3 361.442 2.841 20 5 FFBDHN COc1ccc(-c2ccc(CN3C[C@@H](C(N)=O)CC[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000159604139 508864503 /nfs/dbraw/zinc/86/45/03/508864503.db2.gz KTFZZGLSCLWPBM-STQMWFEESA-N 0 3 373.409 2.949 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000119968114 508900207 /nfs/dbraw/zinc/90/02/07/508900207.db2.gz RABNTDQUBHHAAN-RDJZCZTQSA-N 0 3 369.421 2.610 20 5 FFBDHN NC(=O)[C@H]1CCC[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000120081568 508924334 /nfs/dbraw/zinc/92/43/34/508924334.db2.gz KOVACGMFHHNFJR-AAEUAGOBSA-N 0 3 360.439 2.852 20 5 FFBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000120728258 509053293 /nfs/dbraw/zinc/05/32/93/509053293.db2.gz QLJYHESONXMVPU-HOCLYGCPSA-N 0 3 360.458 2.607 20 5 FFBDHN Cc1c([C@@H](C)NC[C@@H](O)CN2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000151788169 509083884 /nfs/dbraw/zinc/08/38/84/509083884.db2.gz COTLWQBJUWKGRR-VQIMIIECSA-N 0 3 369.465 2.973 20 5 FFBDHN CN(C)CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000127091085 509165979 /nfs/dbraw/zinc/16/59/79/509165979.db2.gz PEEAWKWXHUDQHR-UHFFFAOYSA-N 0 3 356.426 2.841 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CN1C1CC1 ZINC000182350656 509189627 /nfs/dbraw/zinc/18/96/27/509189627.db2.gz AGTQNNUJVALKDH-ZJUUUORDSA-N 0 3 355.341 2.551 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)[C@@H]1COc2ccccc21 ZINC000185579465 509247304 /nfs/dbraw/zinc/24/73/04/509247304.db2.gz ULTLXFZQAGNKGO-WFASDCNBSA-N 0 3 371.393 2.696 20 5 FFBDHN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NCCn1cc([N+](=O)[O-])cn1 ZINC000185634280 509276385 /nfs/dbraw/zinc/27/63/85/509276385.db2.gz ZMYMWMMYOJCDLV-VIFPVBQESA-N 0 3 360.340 2.518 20 5 FFBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NC2CCN(CC3CCCC3)CC2)c1 ZINC000185733857 509329433 /nfs/dbraw/zinc/32/94/33/509329433.db2.gz HNTORLCLZIBVEN-UHFFFAOYSA-N 0 3 367.471 2.528 20 5 FFBDHN C[C@@H]1CN(C)c2ccccc2CN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248474790 509338340 /nfs/dbraw/zinc/33/83/40/509338340.db2.gz XJHJMEHATADSRF-NVXWUHKLSA-N 0 3 371.437 2.675 20 5 FFBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCCN(Cc2ccccc2)CC1 ZINC000173000482 509344446 /nfs/dbraw/zinc/34/44/46/509344446.db2.gz RORJQWMVUPVIDL-UHFFFAOYSA-N 0 3 353.422 2.872 20 5 FFBDHN CCOc1cccc2cc([C@H](C)NC[C@H](O)Cn3cc([N+](=O)[O-])cn3)oc21 ZINC000182649474 509350456 /nfs/dbraw/zinc/35/04/56/509350456.db2.gz SFOFAGRMYDIBGD-WFASDCNBSA-N 0 3 374.397 2.648 20 5 FFBDHN O=[N+]([O-])c1ccn(CCN2CCC(CN3CCc4ccccc43)CC2)n1 ZINC000176239819 509396988 /nfs/dbraw/zinc/39/69/88/509396988.db2.gz ZWQKBHNLYSPIKC-UHFFFAOYSA-N 0 3 355.442 2.566 20 5 FFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000173258694 509485135 /nfs/dbraw/zinc/48/51/35/509485135.db2.gz RKUJBHQCFCHVGZ-HUUCEWRRSA-N 0 3 369.487 2.562 20 5 FFBDHN Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@H](N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000264439418 509527567 /nfs/dbraw/zinc/52/75/67/509527567.db2.gz DOQRKSJNZBHVAW-CQSZACIVSA-N 0 3 362.386 2.512 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000248920093 509544847 /nfs/dbraw/zinc/54/48/47/509544847.db2.gz WNDFNMFVYCTQEZ-DNVCBOLYSA-N 0 3 368.437 2.915 20 5 FFBDHN Cc1nn(CC(=O)OC(C)C)c(C)c1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000179722911 509591662 /nfs/dbraw/zinc/59/16/62/509591662.db2.gz MLOOXQWRMDUHCZ-UHFFFAOYSA-N 0 3 374.441 2.692 20 5 FFBDHN C[C@H]1CN(CCCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000176704197 509649482 /nfs/dbraw/zinc/64/94/82/509649482.db2.gz OCMGRWQQVOUTFJ-MOVUHUBBSA-N 0 3 361.442 2.614 20 5 FFBDHN COCCO[C@@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000189668538 509692424 /nfs/dbraw/zinc/69/24/24/509692424.db2.gz RBKSBJIJZNLIKA-MRXNPFEDSA-N 0 3 361.398 2.530 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[C@@H]1CCCCN1C ZINC000173666514 509708966 /nfs/dbraw/zinc/70/89/66/509708966.db2.gz JIIRFWPGFGDVQE-HNNXBMFYSA-N 0 3 369.487 2.652 20 5 FFBDHN C[C@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@@H]1CN ZINC000237733935 509722652 /nfs/dbraw/zinc/72/26/52/509722652.db2.gz JMLSFIHNEOBUAU-MGPUTAFESA-N 0 3 363.461 2.741 20 5 FFBDHN CCOC[C@H](N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000189811014 509764812 /nfs/dbraw/zinc/76/48/12/509764812.db2.gz PBVSFEWDSBTULO-DOMZBBRYSA-N 0 3 353.419 2.581 20 5 FFBDHN CN1CC[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000180184420 509798208 /nfs/dbraw/zinc/79/82/08/509798208.db2.gz ZWZPPBVFCLROJZ-LPHOPBHVSA-N 0 3 354.410 2.568 20 5 FFBDHN CCCN1CCC(N(C)S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1 ZINC000189885734 509809189 /nfs/dbraw/zinc/80/91/89/509809189.db2.gz CFVWRBDJTDIVBV-UHFFFAOYSA-N 0 3 369.487 2.707 20 5 FFBDHN CC[NH+]1CCC(CC[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1 ZINC000190014656 509885126 /nfs/dbraw/zinc/88/51/26/509885126.db2.gz RGHSHROJVWTGCT-UHFFFAOYSA-N 0 3 369.487 2.612 20 5 FFBDHN C[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000180426307 509920020 /nfs/dbraw/zinc/92/00/20/509920020.db2.gz ZFZSMKMEVWGIAI-LRDDRELGSA-N 0 3 361.354 2.594 20 5 FFBDHN C[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000180426325 509920379 /nfs/dbraw/zinc/92/03/79/509920379.db2.gz ZFZSMKMEVWGIAI-WBMJQRKESA-N 0 3 361.354 2.594 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CN1C1CC1 ZINC000177195619 509930254 /nfs/dbraw/zinc/93/02/54/509930254.db2.gz FYYSZQRVIJMAAW-DGCLKSJQSA-N 0 3 367.833 2.759 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000177208027 509937081 /nfs/dbraw/zinc/93/70/81/509937081.db2.gz NWMUOXNEWGHTPX-DZGCQCFKSA-N 0 3 358.442 2.550 20 5 FFBDHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1Cl ZINC000183767494 509964996 /nfs/dbraw/zinc/96/49/96/509964996.db2.gz GTXNSMWACDWNQP-KOLCDFICSA-N 0 3 359.213 2.810 20 5 FFBDHN COC(=O)c1cnc(NC[C@H](c2cccc(F)c2)N(C)C)c([N+](=O)[O-])c1 ZINC000190164432 509978994 /nfs/dbraw/zinc/97/89/94/509978994.db2.gz CMVDIVXIKFRGQW-OAHLLOKOSA-N 0 3 362.361 2.630 20 5 FFBDHN Cc1ccc(CN(C)C)cc1NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000177313949 509993584 /nfs/dbraw/zinc/99/35/84/509993584.db2.gz MLYLXVNYBWOSAT-UHFFFAOYSA-N 0 3 371.393 2.795 20 5 FFBDHN CSc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000261821850 510077191 /nfs/dbraw/zinc/07/71/91/510077191.db2.gz SILPXRWYPMSLQT-LSDHHAIUSA-N 0 3 357.435 2.884 20 5 FFBDHN C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000187180574 510107331 /nfs/dbraw/zinc/10/73/31/510107331.db2.gz XBKRSVBZSKIGMB-LIRRHRJNSA-N 0 3 357.410 2.781 20 5 FFBDHN O=C(NCCN1CCCC1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000193929946 510134443 /nfs/dbraw/zinc/13/44/43/510134443.db2.gz NTDZEKWILVYWOV-UHFFFAOYSA-N 0 3 369.421 2.999 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000180848468 510142561 /nfs/dbraw/zinc/14/25/61/510142561.db2.gz LSQILKSERRLOMD-GOEBONIOSA-N 0 3 368.437 2.960 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000180848505 510143230 /nfs/dbraw/zinc/14/32/30/510143230.db2.gz LSQILKSERRLOMD-HOCLYGCPSA-N 0 3 368.437 2.960 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000246021976 510255104 /nfs/dbraw/zinc/25/51/04/510255104.db2.gz PEFMUNWZNDACBX-SJLPKXTDSA-N 0 3 357.410 2.521 20 5 FFBDHN COc1ccc(CNC2CCN(C(=O)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000171676036 510301929 /nfs/dbraw/zinc/30/19/29/510301929.db2.gz WELZRHSMZSNPSR-UHFFFAOYSA-N 0 3 369.421 2.998 20 5 FFBDHN CC[C@@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000178000189 510368234 /nfs/dbraw/zinc/36/82/34/510368234.db2.gz QDVFDNDYTALWQS-CQSZACIVSA-N 0 3 369.468 2.676 20 5 FFBDHN CCc1n[nH]c(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000171809339 510383134 /nfs/dbraw/zinc/38/31/34/510383134.db2.gz MHNRJQVSUFOTRZ-GFCCVEGCSA-N 0 3 359.430 2.740 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N(C)CC2(N(C)C)CCC2)cc1SC ZINC000187991436 510538387 /nfs/dbraw/zinc/53/83/87/510538387.db2.gz XBSCVUPRNOVAGS-UHFFFAOYSA-N 0 3 367.471 2.882 20 5 FFBDHN COc1ccccc1[C@H](CC(C)C)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000181717171 510555530 /nfs/dbraw/zinc/55/55/30/510555530.db2.gz SLKBLNVUMUTLBN-WBVHZDCISA-N 0 3 362.430 2.538 20 5 FFBDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cc2ccccc2c2cccnc12 ZINC000178515423 510639604 /nfs/dbraw/zinc/63/96/04/510639604.db2.gz UICNNYBUVDNQHU-QGZVFWFLSA-N 0 3 363.461 2.965 20 5 FFBDHN C[C@@H](NCCOc1ccccc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000181902084 510649946 /nfs/dbraw/zinc/64/99/46/510649946.db2.gz KUYNJNPAADZSIQ-CQSZACIVSA-N 0 3 353.382 2.905 20 5 FFBDHN O=c1cc(CN2CCC[C@@H](OCCO)C2)c2c(ccc3ccccc32)o1 ZINC000172302444 510656910 /nfs/dbraw/zinc/65/69/10/510656910.db2.gz RFTJKGWVKPVCTG-QGZVFWFLSA-N 0 3 353.418 2.920 20 5 FFBDHN C[C@H](NCCOc1cccc([N+](=O)[O-])c1)c1ccc(-n2ccnn2)cc1 ZINC000182020842 510714428 /nfs/dbraw/zinc/71/44/28/510714428.db2.gz HYHIMOOOZCLKHU-AWEZNQCLSA-N 0 3 353.382 2.905 20 5 FFBDHN O=[N+]([O-])c1c2cccnc2ccc1N1CCN(CC2CCOCC2)CC1 ZINC000172411188 510714602 /nfs/dbraw/zinc/71/46/02/510714602.db2.gz ZYGDMMNORBDYHL-UHFFFAOYSA-N 0 3 356.426 2.692 20 5 FFBDHN Cc1cc(NC[C@@H](O)CN2CCCCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000195303226 510773630 /nfs/dbraw/zinc/77/36/30/510773630.db2.gz IMKVAOZBPXSFCD-QGZVFWFLSA-N 0 3 371.441 2.619 20 5 FFBDHN Cc1ccc(S(=O)(=O)C[C@H](C)NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000185352112 510818493 /nfs/dbraw/zinc/81/84/93/510818493.db2.gz QLMZHXJVALENTR-HNNXBMFYSA-N 0 3 362.451 2.898 20 5 FFBDHN Cn1nccc1[C@@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000360306299 510895689 /nfs/dbraw/zinc/89/56/89/510895689.db2.gz WHCSOSOKLCHQHU-CQSZACIVSA-N 0 3 357.414 2.537 20 5 FFBDHN CC[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(OC)c(OC)c1 ZINC000285518514 510939899 /nfs/dbraw/zinc/93/98/99/510939899.db2.gz RKFOSEXJKHZLFS-OAHLLOKOSA-N 0 3 361.398 2.515 20 5 FFBDHN Cc1c(NC(=O)CCN2CC=C(c3ccnn3C)CC2)cccc1[N+](=O)[O-] ZINC000285546417 510949793 /nfs/dbraw/zinc/94/97/93/510949793.db2.gz IMVVBSBVXCKQQY-UHFFFAOYSA-N 0 3 369.425 2.755 20 5 FFBDHN C[C@H]1CN(C2CCOCC2)CCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000278812339 511007451 /nfs/dbraw/zinc/00/74/51/511007451.db2.gz HMJLMQBJLYXBBZ-INIZCTEOSA-N 0 3 363.458 2.549 20 5 FFBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000270997746 511051938 /nfs/dbraw/zinc/05/19/38/511051938.db2.gz LEVZPPALNTXCMB-ZDUSSCGKSA-N 0 3 360.458 2.971 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CN1C1CC1 ZINC000279381560 511063208 /nfs/dbraw/zinc/06/32/08/511063208.db2.gz VAFJGJCBGCYDKB-MWLCHTKSSA-N 0 3 355.797 2.671 20 5 FFBDHN C[C@H]1C[C@@H](N(C)C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CCN1C ZINC000279408194 511072907 /nfs/dbraw/zinc/07/29/07/511072907.db2.gz XBLXCHDOPRWBKL-JQWIXIFHSA-N 0 3 357.813 2.871 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](c2ccncn2)C1 ZINC000361654163 511076110 /nfs/dbraw/zinc/07/61/10/511076110.db2.gz YRPNHRFSAUARRF-OAHLLOKOSA-N 0 3 369.425 2.901 20 5 FFBDHN C[C@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@H]1N1CCN(C)CC1 ZINC000362077899 511128087 /nfs/dbraw/zinc/12/80/87/511128087.db2.gz KMUVLQZHZQQRQZ-WMLDXEAASA-N 0 3 366.893 2.706 20 5 FFBDHN Cc1cc(S(=O)(=O)N(C)C2CCN(C(C)C)CC2)cc([N+](=O)[O-])c1F ZINC000271378416 511184466 /nfs/dbraw/zinc/18/44/66/511184466.db2.gz FKMJXLUGMQCMRM-UHFFFAOYSA-N 0 3 373.450 2.536 20 5 FFBDHN CCOC(=O)[C@H](C)[C@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000283019869 511202120 /nfs/dbraw/zinc/20/21/20/511202120.db2.gz GVDOIGVCKIWQFR-VWYCJHECSA-N 0 3 371.821 2.753 20 5 FFBDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000365006288 511203030 /nfs/dbraw/zinc/20/30/30/511203030.db2.gz VTTWMPAVRRAUPO-INIZCTEOSA-N 0 3 354.410 2.524 20 5 FFBDHN O=C(CCC(=O)N1CC[C@@H](CN2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000295017216 511254734 /nfs/dbraw/zinc/25/47/34/511254734.db2.gz QIOYQSIROPKNOT-INIZCTEOSA-N 0 3 373.453 2.892 20 5 FFBDHN O=[N+]([O-])c1cnc2ccccc2c1N1CCN(CC2CCOCC2)CC1 ZINC000292019774 511434147 /nfs/dbraw/zinc/43/41/47/511434147.db2.gz SQXDIXRLFUBAHJ-UHFFFAOYSA-N 0 3 356.426 2.692 20 5 FFBDHN O=[N+]([O-])c1ccn(C2CCN(CCOCC(F)(F)C(F)(F)F)CC2)n1 ZINC000365506363 511492484 /nfs/dbraw/zinc/49/24/84/511492484.db2.gz FDSXCPMUZQGOQL-UHFFFAOYSA-N 0 3 372.294 2.642 20 5 FFBDHN Cc1c(NC(=O)CCN2CCC[C@H](c3nccn3C)C2)cccc1[N+](=O)[O-] ZINC000365625967 511566866 /nfs/dbraw/zinc/56/68/66/511566866.db2.gz IUUOGPVIVOMLBV-HNNXBMFYSA-N 0 3 371.441 2.845 20 5 FFBDHN COc1cc(OC)cc([C@@H](O)CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000283995542 511570261 /nfs/dbraw/zinc/57/02/61/511570261.db2.gz HMYTXSWMARFYKA-ZMZPIMSZSA-N 0 3 361.398 2.578 20 5 FFBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000296215928 511659469 /nfs/dbraw/zinc/65/94/69/511659469.db2.gz CXJXRUGELZTOEC-DOTOQJQBSA-N 0 3 359.426 2.500 20 5 FFBDHN CCOc1ccc([C@H](O)C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000365833953 511676532 /nfs/dbraw/zinc/67/65/32/511676532.db2.gz RBOFLUUTGKIGCX-IBGZPJMESA-N 0 3 374.441 2.636 20 5 FFBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@@](CO)(Cc3ccccc3)C2)c1 ZINC000365841942 511681128 /nfs/dbraw/zinc/68/11/28/511681128.db2.gz PAZKGTREQWRUQX-LEWJYISDSA-N 0 3 370.449 2.945 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](c2cccs2)N(C)C)n1 ZINC000281005938 511684991 /nfs/dbraw/zinc/68/49/91/511684991.db2.gz QDWDAGHZPYPTEC-LBPRGKRZSA-N 0 3 350.400 2.553 20 5 FFBDHN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[C@H](N2CCCC2)C1 ZINC000363697484 511709496 /nfs/dbraw/zinc/70/94/96/511709496.db2.gz YTXVGDBSZSXONP-KRWDZBQOSA-N 0 3 372.469 2.508 20 5 FFBDHN C[C@H](N[C@@H]1CCN(C)[C@H]1c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000284417812 511715054 /nfs/dbraw/zinc/71/50/54/511715054.db2.gz XRQWWNJLTSHVJB-YJLNNSPDSA-N 0 3 368.437 2.957 20 5 FFBDHN O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCCCNCc1cccnc1 ZINC000327823187 511881383 /nfs/dbraw/zinc/88/13/83/511881383.db2.gz ZSBLWFFCFBQAKO-UHFFFAOYSA-N 0 3 355.320 2.995 20 5 FFBDHN CC(=O)c1cccc(OC[C@@H](O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000296863844 511927779 /nfs/dbraw/zinc/92/77/79/511927779.db2.gz ZAKBECJTEIMWJT-UGSOOPFHSA-N 0 3 358.394 2.888 20 5 FFBDHN COc1cc(CN[C@@H]2CCC[C@H]2CCO)c([N+](=O)[O-])cc1OC(F)F ZINC000275056915 512028176 /nfs/dbraw/zinc/02/81/76/512028176.db2.gz NPACDYJRTGJYSE-CMPLNLGQSA-N 0 3 360.357 2.846 20 5 FFBDHN CCNC(=O)COc1cccc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000285308272 512072646 /nfs/dbraw/zinc/07/26/46/512072646.db2.gz SJQVWYREKZYQBJ-CYBMUJFWSA-N 0 3 372.425 2.543 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000364355315 512098102 /nfs/dbraw/zinc/09/81/02/512098102.db2.gz RDSHLAXFCIPECR-UHFFFAOYSA-N 0 3 373.409 2.933 20 5 FFBDHN O=C(c1cc(Cl)c[nH]1)N1CCC(NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000367602322 512579772 /nfs/dbraw/zinc/57/97/72/512579772.db2.gz IOJVWDRPOXKJHW-UHFFFAOYSA-N 0 3 362.817 2.971 20 5 FFBDHN C[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000374309527 512758229 /nfs/dbraw/zinc/75/82/29/512758229.db2.gz JQLZBCJNCFIRSO-UKRRQHHQSA-N 0 3 352.866 2.710 20 5 FFBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@@H](O)Cc3cccc(Cl)c3)CC2)n1 ZINC000376509044 512849619 /nfs/dbraw/zinc/84/96/19/512849619.db2.gz ZCXFKWZQCWYODT-INIZCTEOSA-N 0 3 364.833 2.685 20 5 FFBDHN CCOc1cc(CN(C)C(C)(C)CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000412096103 512959758 /nfs/dbraw/zinc/95/97/58/512959758.db2.gz MMOQFQJJCZLJPF-UHFFFAOYSA-N 0 3 351.447 2.536 20 5 FFBDHN CCOc1cc(CN2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000372810110 513053903 /nfs/dbraw/zinc/05/39/03/513053903.db2.gz NIZGUZCUQBUEIL-SJLPKXTDSA-N 0 3 374.441 2.815 20 5 FFBDHN CO[C@@H]1C[C@@H](N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000439625662 513153390 /nfs/dbraw/zinc/15/33/90/513153390.db2.gz SFSJMYQFPPUVRU-CUOATXAZSA-N 0 3 355.822 2.978 20 5 FFBDHN COC(=O)[C@]1(c2ccccc2)CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000428802417 513195914 /nfs/dbraw/zinc/19/59/14/513195914.db2.gz JJVSLDQKQIBDKN-HXUWFJFHSA-N 0 3 370.405 2.790 20 5 FFBDHN COC(=O)[C@]1(c2ccccc2)CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000428811578 513197987 /nfs/dbraw/zinc/19/79/87/513197987.db2.gz JOUFLYILCDWNMP-HXUWFJFHSA-N 0 3 370.405 2.790 20 5 FFBDHN CN(CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Cc1ccccc1 ZINC000450569718 513254833 /nfs/dbraw/zinc/25/48/33/513254833.db2.gz OKIHSCKEXFDHCU-QGZVFWFLSA-N 0 3 355.442 2.608 20 5 FFBDHN COc1cc(C(=O)N[C@H](C)CN2CCCCCC2)c([N+](=O)[O-])cc1F ZINC000450749245 513324271 /nfs/dbraw/zinc/32/42/71/513324271.db2.gz YOWWGXCINQACOA-GFCCVEGCSA-N 0 3 353.394 2.737 20 5 FFBDHN O=C(NC[C@@H]1CCCCN1C1CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000434445804 513324898 /nfs/dbraw/zinc/32/48/98/513324898.db2.gz QELGHFFAGWEHSW-INIZCTEOSA-N 0 3 358.442 2.916 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000450866131 513375168 /nfs/dbraw/zinc/37/51/68/513375168.db2.gz SXCOYTBRKHTASU-ZTFGCOKTSA-N 0 3 359.426 2.779 20 5 FFBDHN CN(C[C@@H]1CCCN1C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000421710622 513382740 /nfs/dbraw/zinc/38/27/40/513382740.db2.gz LMVCZJSKUSQYQD-LBPRGKRZSA-N 0 3 357.863 2.893 20 5 FFBDHN CN(c1ccccc1)c1ccc(CN[C@]2(CCO)CCOC2)cc1[N+](=O)[O-] ZINC000447068768 513390627 /nfs/dbraw/zinc/39/06/27/513390627.db2.gz PTHRBNWJNDJLCY-HXUWFJFHSA-N 0 3 371.437 2.994 20 5 FFBDHN COC1CCN(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421768007 513416334 /nfs/dbraw/zinc/41/63/34/513416334.db2.gz MOPFHEBFOLTCNV-UHFFFAOYSA-N 0 3 363.458 2.831 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000421787624 513427650 /nfs/dbraw/zinc/42/76/50/513427650.db2.gz QCPFEFNLGKJRHQ-HOTGVXAUSA-N 0 3 363.458 2.831 20 5 FFBDHN C[C@H](NC(=O)NC[C@H]1NCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000418234651 513435720 /nfs/dbraw/zinc/43/57/20/513435720.db2.gz QJYHQDJOBPUFFB-SCLBCKFNSA-N 0 3 354.410 2.842 20 5 FFBDHN CC(C)(CO)[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000429725980 513453216 /nfs/dbraw/zinc/45/32/16/513453216.db2.gz ZQUOKHNSQMIZIS-QFBILLFUSA-N 0 3 374.437 2.684 20 5 FFBDHN CCNC(=O)c1cccc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447529921 513498350 /nfs/dbraw/zinc/49/83/50/513498350.db2.gz NCHBWYJCHHJLFB-IAGOWNOFSA-N 0 3 371.441 2.815 20 5 FFBDHN CN(c1ccccc1)c1ccc(CN[C@@H](CO)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000447965159 513640557 /nfs/dbraw/zinc/64/05/57/513640557.db2.gz HTHQGGZDVRKTIV-FXAWDEMLSA-N 0 3 371.437 2.992 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000447981090 513645913 /nfs/dbraw/zinc/64/59/13/513645913.db2.gz XWYXTDPTVKMKRP-MRXNPFEDSA-N 0 3 364.446 2.523 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H](c2ccc(F)c(Cl)c2)C2CC2)c1 ZINC000451354558 513698453 /nfs/dbraw/zinc/69/84/53/513698453.db2.gz NMBQOSZZYUSVNT-CZUORRHYSA-N 0 3 368.796 2.686 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CCN1Cc1ccccc1 ZINC000430662863 513714964 /nfs/dbraw/zinc/71/49/64/513714964.db2.gz KSFDTVUAOZOSFK-HOCLYGCPSA-N 0 3 356.426 2.716 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCNCc2ccccc21 ZINC000430919479 513780927 /nfs/dbraw/zinc/78/09/27/513780927.db2.gz QQFWJWWEIXTIGD-CYBMUJFWSA-N 0 3 370.409 2.540 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCSC[C@@H]2C2CCC2)c1 ZINC000419363170 513789161 /nfs/dbraw/zinc/78/91/61/513789161.db2.gz OPPSIOBOAPLGPR-NVXWUHKLSA-N 0 3 352.456 2.552 20 5 FFBDHN CO[C@@H]1[C@@H](C)[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000451504425 513794616 /nfs/dbraw/zinc/79/46/16/513794616.db2.gz SELQYTWTOHZKBM-ULKVUYOBSA-N 0 3 355.822 2.836 20 5 FFBDHN CC(C)(C)OC(=O)[C@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000426193913 513867932 /nfs/dbraw/zinc/86/79/32/513867932.db2.gz KTXVNCIJQLJHBU-ZDUSSCGKSA-N 0 3 363.414 2.587 20 5 FFBDHN Cc1c(NC(=O)[C@H](C)N[C@@H]([C@@H](CO)C2CC2)C2CC2)cccc1[N+](=O)[O-] ZINC000451616638 513868169 /nfs/dbraw/zinc/86/81/69/513868169.db2.gz WBSBGKITOAFBFK-XLWVJDPXSA-N 0 3 361.442 2.617 20 5 FFBDHN COc1cc(C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000448776250 513893489 /nfs/dbraw/zinc/89/34/89/513893489.db2.gz FJYYAWPFWIKJLF-GFCCVEGCSA-N 0 3 367.421 2.983 20 5 FFBDHN CC1(C)CN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CCN1 ZINC000420264300 514064155 /nfs/dbraw/zinc/06/41/55/514064155.db2.gz AQAODBUEXQFRRA-UHFFFAOYSA-N 0 3 354.279 2.832 20 5 FFBDHN NC(=O)c1cccc([N+](=O)[O-])c1NC[C@@H](c1ccccc1)N1CCCC1 ZINC000420582336 514191297 /nfs/dbraw/zinc/19/12/97/514191297.db2.gz IUCHHPZDPFAFDM-KRWDZBQOSA-N 0 3 354.410 2.943 20 5 FFBDHN NC(=O)c1cccc([N+](=O)[O-])c1NCCCN1CCc2ccccc2C1 ZINC000420582094 514192309 /nfs/dbraw/zinc/19/23/09/514192309.db2.gz GYHHXEIZKFEXOZ-UHFFFAOYSA-N 0 3 354.410 2.554 20 5 FFBDHN COc1cc(C[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)c([N+](=O)[O-])cc1[O-] ZINC000449543597 514248805 /nfs/dbraw/zinc/24/88/05/514248805.db2.gz TXBPGSCOIYIEIU-RHSMWYFYSA-N 0 3 359.382 2.714 20 5 FFBDHN COCCO[C@@H]1COCC[C@@H]1N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433062368 514368131 /nfs/dbraw/zinc/36/81/31/514368131.db2.gz OHZXBHTXGDBUMO-OKZBNKHCSA-N 0 3 364.442 2.727 20 5 FFBDHN COc1ccc(OCCN(C)C[C@@H](O)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000433073326 514371566 /nfs/dbraw/zinc/37/15/66/514371566.db2.gz FPXFFHUFYWYMKA-INIZCTEOSA-N 0 3 360.410 2.518 20 5 FFBDHN C[C@@H]1OCC[C@@]1(O)CNCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000433174815 514406168 /nfs/dbraw/zinc/40/61/68/514406168.db2.gz MBEWFRKSIHKZEV-MGPUTAFESA-N 0 3 371.437 2.992 20 5 FFBDHN COc1ccc(-c2ccc(CNC[C@@H]3CCCC(=O)N3)o2)c([N+](=O)[O-])c1 ZINC000433194451 514416650 /nfs/dbraw/zinc/41/66/50/514416650.db2.gz NGFWVIQVOYJDKN-LBPRGKRZSA-N 0 3 359.382 2.622 20 5 FFBDHN CN(C)C1(CNC(=O)Nc2cccc([N+](=O)[O-])c2)Cc2ccccc2C1 ZINC000466011819 514537873 /nfs/dbraw/zinc/53/78/73/514537873.db2.gz QNVXBZBHWHFGCS-UHFFFAOYSA-N 0 3 354.410 2.816 20 5 FFBDHN CCOC(=O)[C@]1(COC)CCCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000439474916 514560897 /nfs/dbraw/zinc/56/08/97/514560897.db2.gz XVLOCNLZUAEBPU-RDTXWAMCSA-N 0 3 350.415 2.948 20 5 FFBDHN COc1ccc(-c2ccc(CNC3(CC(N)=O)CCC3)o2)c([N+](=O)[O-])c1 ZINC000475111146 514561522 /nfs/dbraw/zinc/56/15/22/514561522.db2.gz UXYHXLILVHBPKZ-UHFFFAOYSA-N 0 3 359.382 2.751 20 5 FFBDHN COC(=O)CC1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000497726494 514609719 /nfs/dbraw/zinc/60/97/19/514609719.db2.gz BYZLBFXOWNGJAH-UHFFFAOYSA-N 0 3 363.414 2.507 20 5 FFBDHN COc1cc(C(=O)N[C@@H](C)CN2CCCCCC2)cc([N+](=O)[O-])c1OC ZINC000479800381 514728748 /nfs/dbraw/zinc/72/87/48/514728748.db2.gz CYUYXDOAISBFLT-ZDUSSCGKSA-N 0 3 365.430 2.606 20 5 FFBDHN C[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCCC[C@H]1C ZINC000498472637 514918911 /nfs/dbraw/zinc/91/89/11/514918911.db2.gz LCVDQMPWFRYJEE-HUUCEWRRSA-N 0 3 358.442 2.929 20 5 FFBDHN O=C(CN[C@@H]1CCC[C@H]1OC(F)F)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000503401650 515020998 /nfs/dbraw/zinc/02/09/98/515020998.db2.gz QWAJGFCPRQDUJY-VXGBXAGGSA-N 0 3 363.748 2.937 20 5 FFBDHN Cc1c(NC(=O)[C@@H](C)N[C@@H]2CCC[C@H]2OC(F)F)cccc1[N+](=O)[O-] ZINC000503515889 515064070 /nfs/dbraw/zinc/06/40/70/515064070.db2.gz ISAALOSVLUMTBX-MPKXVKKWSA-N 0 3 357.357 2.980 20 5 FFBDHN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CCN1C ZINC000462480374 515076020 /nfs/dbraw/zinc/07/60/20/515076020.db2.gz LUIANQHGYDWVFD-HOCLYGCPSA-N 0 3 356.426 2.885 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC[NH+](C(C)C)C(C)C)cc1C ZINC000467779457 515113849 /nfs/dbraw/zinc/11/38/49/515113849.db2.gz AJDHTRGYQHDCIO-UHFFFAOYSA-N 0 3 371.503 2.999 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](C)CN2CCCCC2)c1C ZINC000480930322 515139957 /nfs/dbraw/zinc/13/99/57/515139957.db2.gz RXMLICLSQVCLAU-CYBMUJFWSA-N 0 3 369.487 2.612 20 5 FFBDHN COc1cnccc1N1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000481035615 515182251 /nfs/dbraw/zinc/18/22/51/515182251.db2.gz KEOJZBOPGSSPLH-UHFFFAOYSA-N 0 3 365.393 2.873 20 5 FFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000481057240 515190179 /nfs/dbraw/zinc/19/01/79/515190179.db2.gz KGXDYLUPCCJQCX-LSDHHAIUSA-N 0 3 369.487 2.705 20 5 FFBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1cccc(OCC(N)=O)c1 ZINC000468634864 515446078 /nfs/dbraw/zinc/44/60/78/515446078.db2.gz JFVXVHGSNOONRP-ZSOIEALJSA-N 0 3 355.394 2.652 20 5 FFBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000468695378 515474779 /nfs/dbraw/zinc/47/47/79/515474779.db2.gz SFIGHURGNOPWPS-ZFWWWQNUSA-N 0 3 354.410 2.742 20 5 FFBDHN C[C@@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000491978284 515488053 /nfs/dbraw/zinc/48/80/53/515488053.db2.gz JHLAQOUXOHNYKB-PBHICJAKSA-N 0 3 366.893 2.706 20 5 FFBDHN COCCN1CC[C@H](N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000492146111 515506137 /nfs/dbraw/zinc/50/61/37/515506137.db2.gz YCINQAZKALPDKW-ICSRJNTNSA-N 0 3 355.438 2.995 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](NC[C@@H](CO)[C@@H]2CCOC2)c2ccccc2)c1 ZINC000482004367 515543066 /nfs/dbraw/zinc/54/30/66/515543066.db2.gz WHOBXYVIRNJELQ-WSTZPKSXSA-N 0 3 356.422 2.919 20 5 FFBDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000463743437 515598683 /nfs/dbraw/zinc/59/86/83/515598683.db2.gz DLBSXWRRYOPIDD-MRXNPFEDSA-N 0 3 368.437 2.551 20 5 FFBDHN C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[C@@H](c1ccccc1)N(C)C ZINC000505604930 515607724 /nfs/dbraw/zinc/60/77/24/515607724.db2.gz GOJNJDBVDWWGMY-DIFFPNOSSA-N 0 3 360.389 2.737 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000493507335 515638822 /nfs/dbraw/zinc/63/88/22/515638822.db2.gz UQEMXWJKXGWXAU-SLEUVZQESA-N 0 3 367.833 2.568 20 5 FFBDHN CC(C)N1CC[C@H](N(C)C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000457116058 515661847 /nfs/dbraw/zinc/66/18/47/515661847.db2.gz LERVPYZZXYSYLH-JSGCOSHPSA-N 0 3 369.849 2.957 20 5 FFBDHN CN(C)C[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000500560503 515769431 /nfs/dbraw/zinc/76/94/31/515769431.db2.gz HOSXNRNOCWNIGT-GOSISDBHSA-N 0 3 374.416 2.879 20 5 FFBDHN C[C@@H](NCCC(=O)NCC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000511166205 515811725 /nfs/dbraw/zinc/81/17/25/515811725.db2.gz BEHBRPAXSLCTAG-CQSZACIVSA-N 0 3 355.394 2.635 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000483115961 515936400 /nfs/dbraw/zinc/93/64/00/515936400.db2.gz DMXIYHUAFHIBFI-MAUKXSAKSA-N 0 3 360.385 2.963 20 5 FFBDHN CCCN(CCN1CCCCCC1)C(=O)c1[nH]nc(CC)c1[N+](=O)[O-] ZINC000494843888 515979648 /nfs/dbraw/zinc/97/96/48/515979648.db2.gz CDTDHMGOWVCYIQ-UHFFFAOYSA-N 0 3 351.451 2.609 20 5 FFBDHN CCCN(CCN1CCCCCC1)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000494843888 515979656 /nfs/dbraw/zinc/97/96/56/515979656.db2.gz CDTDHMGOWVCYIQ-UHFFFAOYSA-N 0 3 351.451 2.609 20 5 FFBDHN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000460284495 516101110 /nfs/dbraw/zinc/10/11/10/516101110.db2.gz QMMSQBNLMMLPPN-INIZCTEOSA-N 0 3 356.430 2.546 20 5 FFBDHN CN(C)C1(CN(C)C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000474620745 516126580 /nfs/dbraw/zinc/12/65/80/516126580.db2.gz JATURHGCEHLMTL-UHFFFAOYSA-N 0 3 351.422 2.954 20 5 FFBDHN COc1cc(CNC[C@@](C)(CO)Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000483650903 516156448 /nfs/dbraw/zinc/15/64/48/516156448.db2.gz YORARYHXRSLSKO-FQEVSTJZSA-N 0 3 374.437 2.943 20 5 FFBDHN CC(C)[C@@H]1CCC[C@@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000474706882 516164794 /nfs/dbraw/zinc/16/47/94/516164794.db2.gz ILDRQNGZHDOSMS-HUUCEWRRSA-N 0 3 369.487 2.678 20 5 FFBDHN CNc1nc(C(=O)N(CCN(C)C)Cc2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000455420464 516192304 /nfs/dbraw/zinc/19/23/04/516192304.db2.gz ILGMDRXYJIIKSS-UHFFFAOYSA-N 0 3 371.441 2.544 20 5 FFBDHN CC(C)[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000488509595 516246745 /nfs/dbraw/zinc/24/67/45/516246745.db2.gz ASZNVEBMPLQYEM-SFHVURJKSA-N 0 3 357.458 2.767 20 5 FFBDHN COC(=O)c1cc(C)nc(N[C@@H]2CCN(C)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000557639664 516353338 /nfs/dbraw/zinc/35/33/38/516353338.db2.gz SBFBJSLDKKPBOG-HZPDHXFCSA-N 0 3 370.409 2.942 20 5 FFBDHN COC(=O)[C@@H]1CCCC[C@@]1(C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000535466819 516366997 /nfs/dbraw/zinc/36/69/97/516366997.db2.gz ZZAZLGVHMLWNOO-KBXCAEBGSA-N 0 3 363.414 2.553 20 5 FFBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@H](N1CCOCC1)C(F)(F)F ZINC000512972592 516429852 /nfs/dbraw/zinc/42/98/52/516429852.db2.gz UYXRNUPBQJCTHF-WQMJKPAKSA-N 0 3 373.375 2.851 20 5 FFBDHN COc1ccc(CNC(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000517738095 516431815 /nfs/dbraw/zinc/43/18/15/516431815.db2.gz WGEZANITQNMRIB-KGLIPLIRSA-N 0 3 364.446 2.523 20 5 FFBDHN COc1ccc(NC(=O)NC[C@@H](Cc2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000543891900 516483235 /nfs/dbraw/zinc/48/32/35/516483235.db2.gz KSISVIIFBIFUNB-MRXNPFEDSA-N 0 3 372.425 2.898 20 5 FFBDHN C[C@H]1C[C@H]1N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)C1 ZINC000561347285 516535358 /nfs/dbraw/zinc/53/53/58/516535358.db2.gz IDPLMKXOSNMIJX-GDZNZVCISA-N 0 3 365.861 2.979 20 5 FFBDHN CC1CCN([C@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000547756090 516544540 /nfs/dbraw/zinc/54/45/40/516544540.db2.gz JFOJIIOKROEWRO-MRXNPFEDSA-N 0 3 357.414 2.521 20 5 FFBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@@H](C)C1 ZINC000558022809 516556467 /nfs/dbraw/zinc/55/64/67/516556467.db2.gz JOASVHSDNGZAEJ-JCGVRSQUSA-N 0 3 356.426 2.878 20 5 FFBDHN COC(=O)CC1(NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000548098472 516760742 /nfs/dbraw/zinc/76/07/42/516760742.db2.gz UXLZIJLJLKKGCQ-UHFFFAOYSA-N 0 3 369.805 2.652 20 5 FFBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000561777382 516768794 /nfs/dbraw/zinc/76/87/94/516768794.db2.gz WBJFMQRYPWKQTB-KRWDZBQOSA-N 0 3 362.474 2.899 20 5 FFBDHN COc1ccc(NC(=O)NC[C@H](C)N2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000541106694 516879159 /nfs/dbraw/zinc/87/91/59/516879159.db2.gz UPAHZQKNWVBKJU-STQMWFEESA-N 0 3 350.419 2.845 20 5 FFBDHN CC[C@@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000536857079 516957817 /nfs/dbraw/zinc/95/78/17/516957817.db2.gz ILKHPDBKXHCQFT-OAHLLOKOSA-N 0 3 369.487 2.822 20 5 FFBDHN CC(C)c1ccc([C@@H](N)CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000514727023 517025803 /nfs/dbraw/zinc/02/58/03/517025803.db2.gz MVZLPXYKFPYMLH-HNNXBMFYSA-N 0 3 371.393 2.877 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1cccc(O)c1 ZINC000532566429 517036742 /nfs/dbraw/zinc/03/67/42/517036742.db2.gz LNABCGLCWUYFLO-UHFFFAOYSA-N 0 3 359.382 2.770 20 5 FFBDHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1C(F)(F)F ZINC000537142854 517055541 /nfs/dbraw/zinc/05/55/41/517055541.db2.gz FRJGZJNIVLQBBK-PWSUYJOCSA-N 0 3 358.320 2.522 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCC[C@@H](C3CC3)C2)cc1 ZINC000541737680 517193373 /nfs/dbraw/zinc/19/33/73/517193373.db2.gz ALTZPXIZOVHWFK-CABCVRRESA-N 0 3 352.456 2.927 20 5 FFBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](CC(N)=O)c1ccccc1 ZINC000552381261 517231954 /nfs/dbraw/zinc/23/19/54/517231954.db2.gz CVTZYQFXHCEILM-GUYCJALGSA-N 0 3 370.409 2.518 20 5 FFBDHN C[C@@H](COc1cccc(F)c1)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000515466836 517363765 /nfs/dbraw/zinc/36/37/65/517363765.db2.gz AAMXDFQBFFHBQG-BBRMVZONSA-N 0 3 364.373 2.531 20 5 FFBDHN CCOc1ccc([C@H](C)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000537984514 517424560 /nfs/dbraw/zinc/42/45/60/517424560.db2.gz XRQAKEZRYUZVEX-CFVMTHIKSA-N 0 3 370.471 3.000 20 5 FFBDHN CNc1nccc(C(=O)Nc2cccc(CN3CCCCC3)c2)c1[N+](=O)[O-] ZINC000552973095 517460428 /nfs/dbraw/zinc/46/04/28/517460428.db2.gz HMLYPTYDYMTMPJ-UHFFFAOYSA-N 0 3 369.425 2.692 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1-c1nc(-c2ccc(OCCN(C)C)cc2)no1 ZINC000546275161 517626667 /nfs/dbraw/zinc/62/66/67/517626667.db2.gz MTJNSIMSGWVHNO-UHFFFAOYSA-N 0 3 369.381 2.956 20 5 FFBDHN Cc1cnc([C@H](C)CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000521228596 517659855 /nfs/dbraw/zinc/65/98/55/517659855.db2.gz FMDDFQSFLDZRCY-LLVKDONJSA-N 0 3 369.468 2.527 20 5 FFBDHN CN1CCN(c2cc(CN[C@H]3CCc4c3cccc4[N+](=O)[O-])ccn2)CC1 ZINC000521272272 517676784 /nfs/dbraw/zinc/67/67/84/517676784.db2.gz WPKPDMUAWULZPC-SFHVURJKSA-N 0 3 367.453 2.519 20 5 FFBDHN COc1ccc(-c2ccc(CNCCc3cnccn3)o2)c([N+](=O)[O-])c1 ZINC000527528384 517731568 /nfs/dbraw/zinc/73/15/68/517731568.db2.gz KCZCFHUHADGSBR-UHFFFAOYSA-N 0 3 354.366 2.986 20 5 FFBDHN CN(c1ccccc1)c1ccc(CNC[C@H]2CC[C@@H](CO)O2)cc1[N+](=O)[O-] ZINC000516590778 517759005 /nfs/dbraw/zinc/75/90/05/517759005.db2.gz VHBRIXJOVFSSIX-MSOLQXFVSA-N 0 3 371.437 2.992 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000542852638 517782057 /nfs/dbraw/zinc/78/20/57/517782057.db2.gz OBYWXDDGLPDZIY-GXSJLCMTSA-N 0 3 355.341 2.551 20 5 FFBDHN C[C@@H]1CCCN(CCNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000542921255 517816549 /nfs/dbraw/zinc/81/65/49/517816549.db2.gz ZNHLQSOUVSMXCS-LLVKDONJSA-N 0 3 357.357 2.658 20 5 FFBDHN CN(CCN1CCCC1)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000522648311 518140420 /nfs/dbraw/zinc/14/04/20/518140420.db2.gz FUVAVXRVLBIUGH-UHFFFAOYSA-N 0 3 355.822 2.571 20 5 FFBDHN Nc1c(C(=O)N(CCN2CCCC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000531152657 518155585 /nfs/dbraw/zinc/15/55/85/518155585.db2.gz JVNNXSQAISYCNC-UHFFFAOYSA-N 0 3 354.410 2.920 20 5 FFBDHN C[C@H]1CN(CCN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000539814921 518166737 /nfs/dbraw/zinc/16/67/37/518166737.db2.gz YKMGWZIZLZFPTM-OXJNMPFZSA-N 0 3 355.438 2.995 20 5 FFBDHN C[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC[C@@H]1C ZINC000535371125 518177055 /nfs/dbraw/zinc/17/70/55/518177055.db2.gz FEGMICBIGZKLSS-KBPBESRZSA-N 0 3 358.442 2.998 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1ccc(F)c(Cl)c1 ZINC000578521928 518250184 /nfs/dbraw/zinc/25/01/84/518250184.db2.gz STXODDFIIFYAEY-GFCCVEGCSA-N 0 3 354.765 2.917 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cnccc1N1CCN(C)CC1 ZINC000578755256 518358680 /nfs/dbraw/zinc/35/86/80/518358680.db2.gz WTZJLQFHZXSZAM-UHFFFAOYSA-N 0 3 369.425 2.611 20 5 FFBDHN O=[N+]([O-])c1cc2c(nc1N1CC[C@H](OCCN3CCCCC3)C1)CCCC2 ZINC000572872868 518401638 /nfs/dbraw/zinc/40/16/38/518401638.db2.gz VGNZRDGYOFUPRF-KRWDZBQOSA-N 0 3 374.485 2.950 20 5 FFBDHN CC(C)N1CCN([C@H]2CCN(c3nccc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000572966982 518443166 /nfs/dbraw/zinc/44/31/66/518443166.db2.gz JPTGENGLEYHWFX-SFHVURJKSA-N 0 3 369.469 2.748 20 5 FFBDHN Cc1c(CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000573036212 518475301 /nfs/dbraw/zinc/47/53/01/518475301.db2.gz DOCZNRWFRGNGET-SFHVURJKSA-N 0 3 368.437 2.827 20 5 FFBDHN Cc1ccccc1O[C@@H](C)CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000576272460 518512411 /nfs/dbraw/zinc/51/24/11/518512411.db2.gz YWFVUDXSSRSZSJ-DOTOQJQBSA-N 0 3 360.410 2.700 20 5 FFBDHN C[C@@H]1C[C@@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000567465042 518537067 /nfs/dbraw/zinc/53/70/67/518537067.db2.gz IMJVUUDFCMPWNG-QIIPPGSGSA-N 0 3 358.394 2.836 20 5 FFBDHN COC[C@H](Cc1ccccc1)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000564848013 518650429 /nfs/dbraw/zinc/65/04/29/518650429.db2.gz CCAIVILMPQCGBG-INIZCTEOSA-N 0 3 357.410 2.771 20 5 FFBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000582579894 518819940 /nfs/dbraw/zinc/81/99/40/518819940.db2.gz BJXYMDJOGMXULN-CQSZACIVSA-N 0 3 373.457 2.602 20 5 FFBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)CCn1cc(Br)cn1 ZINC000588986331 518888302 /nfs/dbraw/zinc/88/83/02/518888302.db2.gz DIICGSPJTHBEFW-UHFFFAOYSA-N 0 3 369.219 2.565 20 5 FFBDHN CSC1(CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCN(C)CC1 ZINC000589312810 518978159 /nfs/dbraw/zinc/97/81/59/518978159.db2.gz KSQRKNKPIZOJRO-UHFFFAOYSA-N 0 3 352.460 2.852 20 5 FFBDHN CCOc1ccc([C@H](C)NCc2ccc(CC(N)=O)cc2)cc1[N+](=O)[O-] ZINC000589344820 518985128 /nfs/dbraw/zinc/98/51/28/518985128.db2.gz LZKSBPGIPOGFDX-ZDUSSCGKSA-N 0 3 357.410 2.872 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCCCC[C@@H]2C[C@@H](C)O)c1 ZINC000589518594 519023818 /nfs/dbraw/zinc/02/38/18/519023818.db2.gz ZVZJQDJXLLWYLH-CZUORRHYSA-N 0 3 350.415 2.897 20 5 FFBDHN CC(=O)N1C[C@@H]2CCC[C@@H](NCc3c(F)cc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000574236204 519054079 /nfs/dbraw/zinc/05/40/79/519054079.db2.gz SASQZYLRCNELRZ-PZSREKOKSA-N 0 3 353.369 2.610 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](SC)[C@@H](N(C)C)C1 ZINC000574243335 519056424 /nfs/dbraw/zinc/05/64/24/519056424.db2.gz DTXRNLDSLRITPY-GJZGRUSLSA-N 0 3 352.460 2.667 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CCCN(C)Cc2ccncc2)c1 ZINC000580200627 519057810 /nfs/dbraw/zinc/05/78/10/519057810.db2.gz AZDGSGQZGFGYLN-UHFFFAOYSA-N 0 3 356.426 2.892 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H]2CCCc3sc(Cl)cc32)c1 ZINC000571433034 519094295 /nfs/dbraw/zinc/09/42/95/519094295.db2.gz OIJRTBWDJTZPFP-CMPLNLGQSA-N 0 3 356.835 2.534 20 5 FFBDHN CN(C)C1(CN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CCOCC1 ZINC000565719848 519099306 /nfs/dbraw/zinc/09/93/06/519099306.db2.gz NBBZVEBDJIMGRM-CQSZACIVSA-N 0 3 361.364 2.899 20 5 FFBDHN COc1cc(CN[C@@H]2CC[C@](O)(C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000589938999 519108977 /nfs/dbraw/zinc/10/89/77/519108977.db2.gz LSHZEVYOQMWUPW-QMTHXVAHSA-N 0 3 364.320 2.548 20 5 FFBDHN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCCCN1C1CCCC1 ZINC000574367890 519119406 /nfs/dbraw/zinc/11/94/06/519119406.db2.gz WSQLEIACLJBLLS-QGZVFWFLSA-N 0 3 371.441 2.884 20 5 FFBDHN CC(C)Oc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)N(C)C)cc1 ZINC000577672934 519195836 /nfs/dbraw/zinc/19/58/36/519195836.db2.gz BCGHNQUAYHPPAR-INIZCTEOSA-N 0 3 360.414 2.743 20 5 FFBDHN CC1CCN(c2ccc(C(=O)N3CC[C@H]4CN(C)C[C@H]43)cc2[N+](=O)[O-])CC1 ZINC000590446586 519235503 /nfs/dbraw/zinc/23/55/03/519235503.db2.gz UWQQAOQUKZOFNY-QFBILLFUSA-N 0 3 372.469 2.607 20 5 FFBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1NCCc2ccccc21 ZINC000566004657 519241923 /nfs/dbraw/zinc/24/19/23/519241923.db2.gz RHKDXJZSRJYBEX-KRWDZBQOSA-N 0 3 359.813 2.794 20 5 FFBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000572056759 519420402 /nfs/dbraw/zinc/42/04/02/519420402.db2.gz ZUNHPEZXHJRWBZ-SGMGOOAPSA-N 0 3 366.849 2.744 20 5 FFBDHN CN1CCN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1Cc1ccccc1 ZINC000578149355 519444178 /nfs/dbraw/zinc/44/41/78/519444178.db2.gz RUGYOVPDLLMFNE-LJQANCHMSA-N 0 3 355.438 2.832 20 5 FFBDHN O=[N+]([O-])c1cnn(CCN[C@@H](c2cncc(Br)c2)C2CC2)c1 ZINC000581027321 519485511 /nfs/dbraw/zinc/48/55/11/519485511.db2.gz SWYPASCERCQOII-CQSZACIVSA-N 0 3 366.219 2.690 20 5 FFBDHN CN1CCN(c2ccc(CN[C@@H]3CCc4c3cccc4[N+](=O)[O-])cn2)CC1 ZINC000566473489 519511840 /nfs/dbraw/zinc/51/18/40/519511840.db2.gz BKYFLCLCCSTOKV-GOSISDBHSA-N 0 3 367.453 2.519 20 5 FFBDHN COCCC1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000584107939 519594848 /nfs/dbraw/zinc/59/48/48/519594848.db2.gz BYFLOOVRSVGTRV-UHFFFAOYSA-N 0 3 370.471 2.555 20 5 FFBDHN CCOc1cc(CN[C@H]([C@@H]2CCCO2)C2(CO)CCC2)ccc1[N+](=O)[O-] ZINC000602891744 519953604 /nfs/dbraw/zinc/95/36/04/519953604.db2.gz OLPBUSFINJZTGX-FUHWJXTLSA-N 0 3 364.442 2.793 20 5 FFBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN3C[C@H](O)C[C@H]3C2)s1 ZINC000594613697 520056319 /nfs/dbraw/zinc/05/63/19/520056319.db2.gz QUSZGYNGOKIZEB-UONOGXRCSA-N 0 3 359.451 2.574 20 5 FFBDHN Cc1cc(C)c(S(=O)(=O)NC[C@H]2CCN(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594788155 520158399 /nfs/dbraw/zinc/15/83/99/520158399.db2.gz FXZXZFUEDSXCDX-CQSZACIVSA-N 0 3 369.487 2.610 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H]2CCN(C(C)(C)C)C2)c1 ZINC000594793093 520161395 /nfs/dbraw/zinc/16/13/95/520161395.db2.gz UVAITUGCUNNDOY-AWEZNQCLSA-N 0 3 369.487 2.610 20 5 FFBDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1ccc([N+](=O)[O-])c3cccnc13)C2 ZINC000597709748 520190679 /nfs/dbraw/zinc/19/06/79/520190679.db2.gz BBISPXPMSDFJKP-LJQANCHMSA-N 0 3 354.410 2.701 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](n2ccnc2)C1 ZINC000609157479 520213694 /nfs/dbraw/zinc/21/36/94/520213694.db2.gz UVIYIEFZGKHUGZ-MRXNPFEDSA-N 0 3 357.414 2.765 20 5 FFBDHN COc1cc(CNC/C=C\CO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000594973502 520236218 /nfs/dbraw/zinc/23/62/18/520236218.db2.gz DGXLIVIKLCRGHH-IHWYPQMZSA-N 0 3 358.394 2.821 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](C(C)C)N1CCOCC1 ZINC000595003735 520252688 /nfs/dbraw/zinc/25/26/88/520252688.db2.gz KZFCVEGJXHZPNE-YOEHRIQHSA-N 0 3 351.447 2.611 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000595046186 520268752 /nfs/dbraw/zinc/26/87/52/520268752.db2.gz JFZNARZLZMBORL-KBXIAJHMSA-N 0 3 351.447 2.752 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC1CCN(c2cccnn2)CC1 ZINC000595048906 520269966 /nfs/dbraw/zinc/26/99/66/520269966.db2.gz SMYAVNYLQGBMPC-CYBMUJFWSA-N 0 3 357.414 2.713 20 5 FFBDHN O=C(NC[C@@H]1CCN1C1CCCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000600474551 520281446 /nfs/dbraw/zinc/28/14/46/520281446.db2.gz YORQELUDYFPDID-INIZCTEOSA-N 0 3 358.442 2.916 20 5 FFBDHN O=C(NC[C@H]1CCN1C1CCCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000600474552 520281611 /nfs/dbraw/zinc/28/16/11/520281611.db2.gz YORQELUDYFPDID-MRXNPFEDSA-N 0 3 358.442 2.916 20 5 FFBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000609346922 520290040 /nfs/dbraw/zinc/29/00/40/520290040.db2.gz WBHBNMZSCYGXGT-GJZGRUSLSA-N 0 3 371.441 2.773 20 5 FFBDHN CCS(=O)(=O)C1(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000595103494 520296464 /nfs/dbraw/zinc/29/64/64/520296464.db2.gz NXIBWKVJFCCBDK-MRXNPFEDSA-N 0 3 352.456 2.919 20 5 FFBDHN CC(C)(C)N1CC[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000597925401 520326466 /nfs/dbraw/zinc/32/64/66/520326466.db2.gz OMRXELAHDOEVAO-MRXNPFEDSA-N 0 3 374.485 2.800 20 5 FFBDHN Cc1ccccc1CN1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000603628965 520330849 /nfs/dbraw/zinc/33/08/49/520330849.db2.gz BKBSFNRTFIBYIM-UHFFFAOYSA-N 0 3 368.437 2.714 20 5 FFBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000609509296 520336898 /nfs/dbraw/zinc/33/68/98/520336898.db2.gz NMUUMCBCYDROIU-BXUZGUMPSA-N 0 3 367.833 2.711 20 5 FFBDHN CCN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H]1CCN(CC)C1 ZINC000598044153 520392896 /nfs/dbraw/zinc/39/28/96/520392896.db2.gz YPGRTEUXIGIMMU-QGZVFWFLSA-N 0 3 374.485 2.754 20 5 FFBDHN C[C@@H](c1ccccc1)N1CCC(NC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000609696225 520410020 /nfs/dbraw/zinc/41/00/20/520410020.db2.gz QEXVBZIOFYQOQX-AWEZNQCLSA-N 0 3 356.426 2.889 20 5 FFBDHN CN(C)CCOc1cccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])c1 ZINC000603965022 520417319 /nfs/dbraw/zinc/41/73/19/520417319.db2.gz TWIXFWHJNLYDQT-UHFFFAOYSA-N 0 3 373.409 2.943 20 5 FFBDHN COc1ccc(CN(C)C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000617368421 520458661 /nfs/dbraw/zinc/45/86/61/520458661.db2.gz QKRSSFCHSGMBBC-UHFFFAOYSA-N 0 3 359.382 2.926 20 5 FFBDHN COC1CCN(C(C)(C)CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000609881313 520467966 /nfs/dbraw/zinc/46/79/66/520467966.db2.gz FGJFELIQUBWJSP-UHFFFAOYSA-N 0 3 369.849 2.867 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](CO)[C@@H](C)c1ccccc1 ZINC000613389710 520478572 /nfs/dbraw/zinc/47/85/72/520478572.db2.gz KUKDYLWBHFPWIJ-KSSFIOAISA-N 0 3 357.410 2.596 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCN(C3CCCC3)CC2)c1 ZINC000604437023 520561558 /nfs/dbraw/zinc/56/15/58/520561558.db2.gz QJBYBTHKAZYJPM-UHFFFAOYSA-N 0 3 361.442 2.759 20 5 FFBDHN CCCN1CC[C@@H](NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C1 ZINC000598342480 520566336 /nfs/dbraw/zinc/56/63/36/520566336.db2.gz NTELWNLSLCPWCR-LLVKDONJSA-N 0 3 353.444 2.539 20 5 FFBDHN CCCN1CC[C@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC000598342336 520566952 /nfs/dbraw/zinc/56/69/52/520566952.db2.gz MIEVIJLOPBAULA-HNNXBMFYSA-N 0 3 354.410 2.871 20 5 FFBDHN CCCN1CC[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000598342707 520567302 /nfs/dbraw/zinc/56/73/02/520567302.db2.gz PEDGJYFGEITAMZ-NSHDSACASA-N 0 3 356.220 2.571 20 5 FFBDHN COC[C@@H](NCc1ccc(Br)cc1[N+](=O)[O-])C1CCOCC1 ZINC000595617345 520596651 /nfs/dbraw/zinc/59/66/51/520596651.db2.gz RUXJRDJUWGXJGT-CQSZACIVSA-N 0 3 373.247 2.889 20 5 FFBDHN O=[N+]([O-])c1cnn(CCN[C@@]2(Cc3ccc(Cl)cc3)CCCOC2)c1 ZINC000595670313 520635206 /nfs/dbraw/zinc/63/52/06/520635206.db2.gz BIURIOKIJYAOQS-QGZVFWFLSA-N 0 3 364.833 2.826 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@](C)(CO)C2CCCCC2)c1 ZINC000593014353 520684851 /nfs/dbraw/zinc/68/48/51/520684851.db2.gz JBSUYIYZVWHWOD-SFHVURJKSA-N 0 3 350.415 2.802 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000593026438 520691209 /nfs/dbraw/zinc/69/12/09/520691209.db2.gz BSAZKDCNKRHAJU-DJIMGWMZSA-N 0 3 360.410 2.819 20 5 FFBDHN CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593030048 520694802 /nfs/dbraw/zinc/69/48/02/520694802.db2.gz IWOQYNYXNSTNTB-CABCVRRESA-N 0 3 364.398 2.593 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCN([C@H]3CCC[C@H]3O)CC2)cc1C(F)(F)F ZINC000610468605 520702742 /nfs/dbraw/zinc/70/27/42/520702742.db2.gz QRUVKDOCUCENSM-LSDHHAIUSA-N 0 3 359.348 2.649 20 5 FFBDHN COc1ccc(NC(=O)CCN2CCC[C@H](OC(C)C)C2)c([N+](=O)[O-])c1 ZINC000593055718 520714033 /nfs/dbraw/zinc/71/40/33/520714033.db2.gz NIWVESMEGBUCFD-HNNXBMFYSA-N 0 3 365.430 2.821 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000595774008 520715098 /nfs/dbraw/zinc/71/50/98/520715098.db2.gz ZAZJKSDKZDDWPT-HOTGVXAUSA-N 0 3 371.441 2.576 20 5 FFBDHN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCC(F)CC1 ZINC000595817752 520744510 /nfs/dbraw/zinc/74/45/10/520744510.db2.gz CALGCIQENLUNGK-IYXRBSQSSA-N 0 3 358.435 2.875 20 5 FFBDHN C[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCC(F)CC1 ZINC000595819087 520746056 /nfs/dbraw/zinc/74/60/56/520746056.db2.gz MFVIEPXHJCDHIT-VOMCLLRMSA-N 0 3 367.377 2.768 20 5 FFBDHN Cc1ccc(NCCCNC(=O)c2cccc3c2CCNC3)c([N+](=O)[O-])c1 ZINC000595937586 520832602 /nfs/dbraw/zinc/83/26/02/520832602.db2.gz HDNMTDOJTNBZHW-UHFFFAOYSA-N 0 3 368.437 2.781 20 5 FFBDHN CNc1ccc(C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000610764824 520833369 /nfs/dbraw/zinc/83/33/69/520833369.db2.gz XVUHRNWEXSCTOP-CQSZACIVSA-N 0 3 370.409 2.606 20 5 FFBDHN C[C@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)N1CCc2ccccc2C1 ZINC000596074869 520895232 /nfs/dbraw/zinc/89/52/32/520895232.db2.gz IRMPDXSUOIOFBG-CYBMUJFWSA-N 0 3 354.410 2.552 20 5 FFBDHN O=[N+]([O-])c1cc(N2CCN([C@H]3CCC[C@H]3O)CC2)ccc1C(F)(F)F ZINC000596112270 520919845 /nfs/dbraw/zinc/91/98/45/520919845.db2.gz LUCNIVRMTIHCMX-DZGCQCFKSA-N 0 3 359.348 2.649 20 5 FFBDHN COc1cc(CN[C@@H]2CCc3cc(O)ccc3C2)c([N+](=O)[O-])cc1OC ZINC000618197878 520930229 /nfs/dbraw/zinc/93/02/29/520930229.db2.gz OQUHEJDMEOYUMR-OAHLLOKOSA-N 0 3 358.394 2.965 20 5 FFBDHN C[C@H]1CCN(Cc2ccccc2)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596150503 520939959 /nfs/dbraw/zinc/93/99/59/520939959.db2.gz CALAZBNDOZAEPV-HNNXBMFYSA-N 0 3 368.437 2.795 20 5 FFBDHN CS[C@H]1CN(c2c(Br)cccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000596181321 520955722 /nfs/dbraw/zinc/95/57/22/520955722.db2.gz ZWABKNFUQKNYCS-NEPJUHHUSA-N 0 3 360.277 2.839 20 5 FFBDHN COc1ccc(CN2CC[C@@]3(C2)C(=O)Nc2ccccc23)cc1[N+](=O)[O-] ZINC000614584075 521034819 /nfs/dbraw/zinc/03/48/19/521034819.db2.gz YKVWZENQHJKYHV-IBGZPJMESA-N 0 3 353.378 2.699 20 5 FFBDHN COc1cccc(NCc2ccc(CN3CC[C@@H](O)C3)cc2)c1[N+](=O)[O-] ZINC000596425280 521065012 /nfs/dbraw/zinc/06/50/12/521065012.db2.gz XKWKQFUTOJIMJN-MRXNPFEDSA-N 0 3 357.410 2.782 20 5 FFBDHN CN1CC[C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000593559784 521076609 /nfs/dbraw/zinc/07/66/09/521076609.db2.gz NMFMADGXWJCLPV-VQIMIIECSA-N 0 3 357.385 2.838 20 5 FFBDHN Cc1ccc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000596620719 521169114 /nfs/dbraw/zinc/16/91/14/521169114.db2.gz PWRNXDJLGRSFQU-NEPJUHHUSA-N 0 3 362.304 2.826 20 5 FFBDHN CN(CCCN(C)C(=O)Cc1ccc(F)cc1[N+](=O)[O-])Cc1ccncc1 ZINC000593716634 521170855 /nfs/dbraw/zinc/17/08/55/521170855.db2.gz UTHDWPMNJLESBN-UHFFFAOYSA-N 0 3 374.416 2.652 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](OC(F)F)C1 ZINC000611578005 521232838 /nfs/dbraw/zinc/23/28/38/521232838.db2.gz MLZUPDNHBHTULJ-CYBMUJFWSA-N 0 3 357.357 2.935 20 5 FFBDHN CN(CCN1CCCCC1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000593884613 521272642 /nfs/dbraw/zinc/27/26/42/521272642.db2.gz UBZLQVVIMFZNMX-UHFFFAOYSA-N 0 3 370.247 2.915 20 5 FFBDHN CN(C)[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)c1cccc(F)c1 ZINC000611700302 521286434 /nfs/dbraw/zinc/28/64/34/521286434.db2.gz ONVICPVBYPHQBO-KRWDZBQOSA-N 0 3 355.373 2.814 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H](c1ccccn1)C1CCC1 ZINC000599574324 521306626 /nfs/dbraw/zinc/30/66/26/521306626.db2.gz SEYIETVNKZQIQI-DNVCBOLYSA-N 0 3 357.410 2.861 20 5 FFBDHN CC1(N2CCOCC2)CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000599617881 521335659 /nfs/dbraw/zinc/33/56/59/521335659.db2.gz NUZRKZXEWNBGIR-UHFFFAOYSA-N 0 3 363.458 2.550 20 5 FFBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccc4nccnc4c3)C2)nc1 ZINC000602471615 521363691 /nfs/dbraw/zinc/36/36/91/521363691.db2.gz FHMJLAOVUOHJEA-CQSZACIVSA-N 0 3 350.382 2.619 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](CC(=O)OC(C)C)C(C)C ZINC000594038520 521365987 /nfs/dbraw/zinc/36/59/87/521365987.db2.gz BMSHFHDTAQZAMM-INIZCTEOSA-N 0 3 365.430 2.798 20 5 FFBDHN COC[C@@H](C)N(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCc2ccccc21 ZINC000599682858 521396945 /nfs/dbraw/zinc/39/69/45/521396945.db2.gz MHUKSMGVPWCPIY-DNVCBOLYSA-N 0 3 371.437 2.781 20 5 FFBDHN O=[N+]([O-])c1sc(CNCCCO[C@H]2CCOC2)cc1Br ZINC000602566493 521413646 /nfs/dbraw/zinc/41/36/46/521413646.db2.gz DONRXSZYRMTNAX-VIFPVBQESA-N 0 3 365.249 2.704 20 5 FFBDHN CS(=O)(=O)c1ccc(CNCCc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000602634866 521449003 /nfs/dbraw/zinc/44/90/03/521449003.db2.gz BQOFEYWMXZAQKR-UHFFFAOYSA-N 0 3 368.842 2.984 20 5 FFBDHN C[C@@H](O)[C@H](NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1F ZINC000602697832 521483471 /nfs/dbraw/zinc/48/34/71/521483471.db2.gz IVYYXQFGYSJPFQ-YJYMSZOUSA-N 0 3 374.416 2.809 20 5 FFBDHN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)NC1CCN(C2CC2)CC1 ZINC000599830517 521500051 /nfs/dbraw/zinc/50/00/51/521500051.db2.gz KLZGVWSBENGSMM-UHFFFAOYSA-N 0 3 355.398 2.891 20 5 FFBDHN COC(=O)c1cc(C2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000602743638 521510533 /nfs/dbraw/zinc/51/05/33/521510533.db2.gz WOQCBTCPIOMOMY-UHFFFAOYSA-N 0 3 359.382 2.792 20 5 FFBDHN O=[N+]([O-])c1cccc([C@@H](NCCC2CS(=O)(=O)C2)c2ccccc2)c1 ZINC000615761611 521524529 /nfs/dbraw/zinc/52/45/29/521524529.db2.gz VIFUXMIDBONXKR-SFHVURJKSA-N 0 3 360.435 2.709 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000602804954 521542714 /nfs/dbraw/zinc/54/27/14/521542714.db2.gz IFMAEPZTGSPVHA-ZDUSSCGKSA-N 0 3 357.414 2.577 20 5 FFBDHN Cc1c(NC(=O)N[C@@H]2CCCN(C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000619541082 521759312 /nfs/dbraw/zinc/75/93/12/521759312.db2.gz FEQICVJHIFCANR-LLVKDONJSA-N 0 3 371.235 2.881 20 5 FFBDHN CN1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000619872316 521913690 /nfs/dbraw/zinc/91/36/90/521913690.db2.gz RZINVKNZJKNZKG-CQSZACIVSA-N 0 3 367.446 2.521 20 5 FFBDHN O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823634770 599450150 /nfs/dbraw/zinc/45/01/50/599450150.db2.gz LUXMQZRIYCGLHL-UHFFFAOYSA-N 0 3 352.398 2.887 20 5 FFBDHN O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823634770 599450152 /nfs/dbraw/zinc/45/01/52/599450152.db2.gz LUXMQZRIYCGLHL-UHFFFAOYSA-N 0 3 352.398 2.887 20 5 FFBDHN CC1(N2CCOCC2)CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000859776021 730465759 /nfs/dbraw/zinc/46/57/59/730465759.db2.gz AUPFGBUXSRJQRX-UHFFFAOYSA-N 0 3 353.850 2.935 20 5 FFBDHN CCCS(=O)(=O)N1CCC(N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872022858 731721334 /nfs/dbraw/zinc/72/13/34/731721334.db2.gz MASRTRKRFRCUBN-LBPRGKRZSA-N 0 3 373.450 2.589 20 5 FFBDHN C[C@@H](NC[C@]1(N2CCOCC2)CCSC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872028103 731722258 /nfs/dbraw/zinc/72/22/58/731722258.db2.gz PFQINWDTSPBYNN-CXAGYDPISA-N 0 3 369.462 2.592 20 5 FFBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000874825290 732104002 /nfs/dbraw/zinc/10/40/02/732104002.db2.gz ITZLMAKJJMOMKW-ZIAGYGMSSA-N 0 3 357.332 2.922 20 5 FFBDHN Cn1c(CNC2CC(n3cc([N+](=O)[O-])cn3)C2)nc2cc(Cl)ccc21 ZINC000877430321 732360847 /nfs/dbraw/zinc/36/08/47/732360847.db2.gz GIKIHVHKAHAARI-UHFFFAOYSA-N 0 3 360.805 2.825 20 5 FFBDHN O=[N+]([O-])c1sc(CN[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)cc1Br ZINC000877682702 732413037 /nfs/dbraw/zinc/41/30/37/732413037.db2.gz PGBZRUWCWJLYMH-AYPAVAEKSA-N 0 3 359.245 2.932 20 5 FFBDHN Cc1csc([C@@H]2CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000880005888 732817379 /nfs/dbraw/zinc/81/73/79/732817379.db2.gz DSSVFENLICQCFG-HIFRSBDPSA-N 0 3 363.439 2.589 20 5 FFBDHN CN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCN(C2CC2)C1 ZINC000732034218 734712924 /nfs/dbraw/zinc/71/29/24/734712924.db2.gz DHVMNLBEBGIRAY-GFCCVEGCSA-N 0 3 368.231 2.666 20 5 FFBDHN CCC[C@@H](N)c1cn(Cc2c(Br)cccc2[N+](=O)[O-])nn1 ZINC000900641168 735673459 /nfs/dbraw/zinc/67/34/59/735673459.db2.gz MMQSPPKBHSEQKP-LLVKDONJSA-N 0 3 354.208 2.797 20 5 FFBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@H](C(F)(F)F)C1 ZINC000761042773 736689672 /nfs/dbraw/zinc/68/96/72/736689672.db2.gz RPYFRXWPBJGYSP-JTQLQIEISA-N 0 3 359.304 2.777 20 5 FFBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000923274480 738264774 /nfs/dbraw/zinc/26/47/74/738264774.db2.gz LIDSPGLUJKBAKM-NWDGAFQWSA-N 0 3 355.341 2.505 20 5 FFBDHN COC[C@@H](NCc1cc([N+](=O)[O-])ccc1Br)C1CCOCC1 ZINC000930923909 739186215 /nfs/dbraw/zinc/18/62/15/739186215.db2.gz LHNFTYKGKJRPJN-OAHLLOKOSA-N 0 3 373.247 2.889 20 5 FFBDHN O=C(CN[C@H]1CCOC12CCCC2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000934392913 739780529 /nfs/dbraw/zinc/78/05/29/739780529.db2.gz RFRUADQCSGJHOJ-AWEZNQCLSA-N 0 3 353.806 2.878 20 5 FFBDHN CN(C)C[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000802375159 740699355 /nfs/dbraw/zinc/69/93/55/740699355.db2.gz HAYNWFKGODGYQL-HNNXBMFYSA-N 0 3 362.817 2.863 20 5 FFBDHN CCOc1ccc(-c2nc(CC(=O)OCC(C)[N+](=O)[O-])cs2)cc1 ZINC000813109138 741678045 /nfs/dbraw/zinc/67/80/45/741678045.db2.gz OLPVLRVVFREREW-LLVKDONJSA-N 0 3 350.396 2.960 20 5 FFBDHN CC(COC(=O)C[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)[N+](=O)[O-] ZINC000813112879 741678291 /nfs/dbraw/zinc/67/82/91/741678291.db2.gz VMQFPFVXANYVFI-STQMWFEESA-N 0 3 358.435 2.868 20 5 FFBDHN O=[N+]([O-])c1ccc(Cl)c(CN[C@H](C2CC2)C2(CO)CCOCC2)c1 ZINC000816657406 742051476 /nfs/dbraw/zinc/05/14/76/742051476.db2.gz RBAVXSCWBGQXQF-MRXNPFEDSA-N 0 3 354.834 2.906 20 5 FFBDHN O=[N+]([O-])c1cc(CNC[C@H](O)c2ccc(F)cn2)cc(C(F)(F)F)c1 ZINC000819269241 742365301 /nfs/dbraw/zinc/36/53/01/742365301.db2.gz FXAQMRMYUQWCQV-AWEZNQCLSA-N 0 3 359.279 2.971 20 5 FFBDHN O=C(Nc1cccc([N+](=O)[O-])c1Cl)NC1CCN([C@H]2CCOC2)CC1 ZINC000823254043 742865557 /nfs/dbraw/zinc/86/55/57/742865557.db2.gz RFRYJPHSWFDFIY-LBPRGKRZSA-N 0 3 368.821 2.623 20 5 FFBDHN COCCOC1(CNCc2cc([N+](=O)[O-])ccc2Cl)CCOCC1 ZINC000824591529 743113185 /nfs/dbraw/zinc/11/31/85/743113185.db2.gz WMAHCNYEACVCFL-UHFFFAOYSA-N 0 3 358.822 2.550 20 5 FFBDHN CC(C)(C)OC(=O)[C@@]1(C)CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000839105069 746775765 /nfs/dbraw/zinc/77/57/65/746775765.db2.gz OEICIYCKWSHDSF-YJBOKZPZSA-N 0 3 350.415 2.682 20 5 FFBDHN CCN1C[C@@H](C)N(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000839532338 746848688 /nfs/dbraw/zinc/84/86/88/746848688.db2.gz WQEYIRSHFRGJFY-VXGBXAGGSA-N 0 3 354.838 2.601 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)CN2CCCC2)cc1SC ZINC000845668882 748301235 /nfs/dbraw/zinc/30/12/35/748301235.db2.gz OUWDNECLNYADTP-NSHDSACASA-N 0 3 354.428 2.966 20 5 FFBDHN COC(=O)N(C)CCCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845874659 748341320 /nfs/dbraw/zinc/34/13/20/748341320.db2.gz JHVJKRAAWXWFAJ-ABAIWWIYSA-N 0 3 356.350 2.554 20 5 FFBDHN CC([C@@H](OC(=O)[C@@H](C)N(C)CC(F)(F)F)c1ccccc1F)[N+](=O)[O-] ZINC000845883337 748344016 /nfs/dbraw/zinc/34/40/16/748344016.db2.gz SECWNOAZVKMGRQ-GIPNMCIBSA-N 0 3 366.311 2.958 20 5 FFBDHN O=C1COc2cc([N+](=O)[O-])c(N[C@H]3CCN(Cc4ccccc4)C3)cc2N1 ZINC000312812354 972007224 /nfs/dbraw/zinc/00/72/24/972007224.db2.gz RRMQAFKVCJJYTI-AWEZNQCLSA-N 0 3 368.393 2.612 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@@H](CO)c2cccc(C(F)(F)F)c2)cc1 ZINC000872216715 1013182945 /nfs/dbraw/zinc/18/29/45/1013182945.db2.gz BRBBSCRWMVPCGP-HOTGVXAUSA-N 0 3 370.327 2.970 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCc1cccnc1N1CCN(C)CC1 ZINC000873027348 1013354028 /nfs/dbraw/zinc/35/40/28/1013354028.db2.gz UUFXCEXOGKVRJI-UHFFFAOYSA-N 0 3 369.469 2.648 20 5 FFBDHN CCOC(=O)C(=CN=c1cc[nH]c2c1cccc2[N+](=O)[O-])C(=O)OCC ZINC001167666142 967396718 /nfs/dbraw/zinc/39/67/18/967396718.db2.gz WYMOYYRXZGOTSP-UHFFFAOYSA-N 0 3 359.338 2.565 20 5 FFBDHN CC[C@]1(C(=O)OC(C)(C)C)CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC001176676129 1013750404 /nfs/dbraw/zinc/75/04/04/1013750404.db2.gz UPUVUHKAKZKTEN-KRWDZBQOSA-N 0 3 352.435 2.625 20 5 FFBDHN Cc1ccc(CNC(=O)N(CCN(C)C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000876171491 1014157177 /nfs/dbraw/zinc/15/71/77/1014157177.db2.gz MOIANWBLUNSRGM-UHFFFAOYSA-N 0 3 360.414 2.770 20 5 FFBDHN COc1cc(CN[C@@H]2CCN(C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000729682644 981284615 /nfs/dbraw/zinc/28/46/15/981284615.db2.gz XMGAVQZKDDUZJF-QGZVFWFLSA-N 0 3 371.437 2.976 20 5 FFBDHN CCN1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)[C@@H](C)C1 ZINC000910293605 981901556 /nfs/dbraw/zinc/90/15/56/981901556.db2.gz PJBDAGWMYFLULO-HNNXBMFYSA-N 0 3 360.458 2.751 20 5 FFBDHN CC(=Cc1cccc([N+](=O)[O-])c1)CN1CCC(CN2CCNC2=O)CC1 ZINC000897582700 982330756 /nfs/dbraw/zinc/33/07/56/982330756.db2.gz HHWXQQIWQGVJEW-RVDMUPIBSA-N 0 3 358.442 2.735 20 5 FFBDHN Cn1ccnc1[C@H](NCCN1CCC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000898034994 982600016 /nfs/dbraw/zinc/60/00/16/982600016.db2.gz GADSGMXGXZWBFG-QGZVFWFLSA-N 0 3 357.458 2.739 20 5 FFBDHN CCOC(=O)CCN(CC1CC1)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000764924622 984817471 /nfs/dbraw/zinc/81/74/71/984817471.db2.gz KTFKODYYLFTSRQ-UHFFFAOYSA-N 0 3 360.414 2.876 20 5 FFBDHN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCN4CC[C@H]3C4)cc2[N+](=O)[O-])C1 ZINC000597708617 987286216 /nfs/dbraw/zinc/28/62/16/987286216.db2.gz CUCJZZKIWWJLIO-ZOBUZTSGSA-N 0 3 372.469 2.607 20 5 FFBDHN O=C1C[C@@H]([C@H]2CCCCN2Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CN1 ZINC000125843951 989015021 /nfs/dbraw/zinc/01/50/21/989015021.db2.gz ZASXSHDYHKKIPJ-RHSMWYFYSA-N 0 3 370.409 2.740 20 5 FFBDHN C[C@H](NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000711061123 990665272 /nfs/dbraw/zinc/66/52/72/990665272.db2.gz RJMUJDYOGZEVDA-BBRMVZONSA-N 0 3 365.430 2.709 20 5 FFBDHN CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)OCC(C)[N+](=O)[O-] ZINC000813106128 995624280 /nfs/dbraw/zinc/62/42/80/995624280.db2.gz YZXYGZOBWXMKRY-KZUMUSTHSA-N 0 3 366.458 2.552 20 5 FFBDHN CC(COC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)[N+](=O)[O-] ZINC000813110191 995625895 /nfs/dbraw/zinc/62/58/95/995625895.db2.gz UPCDURXDLXQTSG-CYBMUJFWSA-N 0 3 352.350 2.756 20 5 FFBDHN C[C@@H](CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000823994015 996773630 /nfs/dbraw/zinc/77/36/30/996773630.db2.gz NBMYQENUGKWEOB-ZDUSSCGKSA-N 0 3 357.414 2.819 20 5 FFBDHN COc1cc(Cc2noc([C@H]3CC[C@@H](C4CC4)N3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000844918493 998229706 /nfs/dbraw/zinc/22/97/06/998229706.db2.gz VGDAYKPAYPURLK-UONOGXRCSA-N 0 3 374.397 2.789 20 5 FFBDHN CC(C)(C)N1CC[C@@H]1COC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000845733428 998640215 /nfs/dbraw/zinc/64/02/15/998640215.db2.gz ARKAULCFYDSCMD-MRXNPFEDSA-N 0 3 358.398 2.810 20 5 FFBDHN Cc1nn(C)c2ncc(C(=O)O[C@H](c3ccccc3F)C(C)[N+](=O)[O-])cc12 ZINC000845873633 998676968 /nfs/dbraw/zinc/67/69/68/998676968.db2.gz VLHRIDBWWKWDDT-ZBEGNZNMSA-N 0 3 372.356 2.979 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)CCN1c1ccc([N+](=O)[O-])c2nonc21 ZINC000733190235 998916245 /nfs/dbraw/zinc/91/62/45/998916245.db2.gz BLWUMFGAYURMKK-CYBMUJFWSA-N 0 3 353.382 2.842 20 5 FFBDHN O=C(CN[C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(Br)c(F)c1 ZINC001168975781 1000013787 /nfs/dbraw/zinc/01/37/87/1000013787.db2.gz XDNLIUGBSCJEQP-ONGXEEELSA-N 0 3 359.195 2.806 20 5 FFBDHN Cc1cccc(CN2CC[C@H](NC(=O)Cc3ccc(F)cc3[N+](=O)[O-])C2)c1 ZINC001169150970 1000027846 /nfs/dbraw/zinc/02/78/46/1000027846.db2.gz XSZPUUZHLCNTKV-SFHVURJKSA-N 0 3 371.412 2.976 20 5 FFBDHN CCOC(=O)c1cc(N2CCCc3ccc(CN)nc32)ccc1[N+](=O)[O-] ZINC001169592029 1000060251 /nfs/dbraw/zinc/06/02/51/1000060251.db2.gz SYJQDBGZLONMPV-UHFFFAOYSA-N 0 3 356.382 2.710 20 5 FFBDHN CCc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)N(C)C)cc1 ZINC000791301915 1002639310 /nfs/dbraw/zinc/63/93/10/1002639310.db2.gz UHKHCAGJUQBYRR-GOSISDBHSA-N 0 3 374.416 2.911 20 5 FFBDHN C[C@H](CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC001184839251 1002734016 /nfs/dbraw/zinc/73/40/16/1002734016.db2.gz FOODNWFTRLULNS-UONOGXRCSA-N 0 3 358.442 2.979 20 5 FFBDHN COc1ccc(C[C@H](C)N2CCCc3ccc(CN)nc32)c([N+](=O)[O-])c1 ZINC001170305356 1003093205 /nfs/dbraw/zinc/09/32/05/1003093205.db2.gz JLLQLSHCDONVEZ-ZDUSSCGKSA-N 0 3 356.426 2.841 20 5 FFBDHN COc1ccc(C[C@H](C)N2CCC(c3nncn3C)CC2)c([N+](=O)[O-])c1 ZINC001170352670 1003121284 /nfs/dbraw/zinc/12/12/84/1003121284.db2.gz PTOLAMPKBXTSHC-ZDUSSCGKSA-N 0 3 359.430 2.543 20 5 FFBDHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000852306407 1005969616 /nfs/dbraw/zinc/96/96/16/1005969616.db2.gz DQDOSASPDLHYCE-OAHLLOKOSA-N 0 3 367.446 2.863 20 5 FFBDHN COC(=O)[C@H](C)[C@@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000776591431 1006006838 /nfs/dbraw/zinc/00/68/38/1006006838.db2.gz MHOGRPMFEABMCZ-FSPWUOQZSA-N 0 3 358.394 2.768 20 5 FFBDHN CC(C)Oc1nc(N2CCN[C@@H](c3ccc(O)cc3)C2)ccc1[N+](=O)[O-] ZINC001187496575 1006116989 /nfs/dbraw/zinc/11/69/89/1006116989.db2.gz HQYHYFNALPXQLB-OAHLLOKOSA-N 0 3 358.398 2.634 20 5 FFBDHN CCN1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000110991790 1006247246 /nfs/dbraw/zinc/24/72/46/1006247246.db2.gz UJGWOKUOEMPRBL-CYBMUJFWSA-N 0 3 364.402 2.724 20 5 FFBDHN CC(C)c1ccc(C(=O)NC[C@H]2CCN2C2CCOCC2)cc1[N+](=O)[O-] ZINC000885882248 1007819571 /nfs/dbraw/zinc/81/95/71/1007819571.db2.gz GKJYTANMRNAWKJ-MRXNPFEDSA-N 0 3 361.442 2.701 20 5 FFBDHN Cc1cc(N2CCN(C)CC2)ccc1NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819398025 1008115702 /nfs/dbraw/zinc/11/57/02/1008115702.db2.gz OEZPLINXDUNAJJ-HXUWFJFHSA-N 0 3 370.453 2.801 20 5 FFBDHN Cc1c(CO)cc([N+](=O)[O-])c(NC[C@H]2CCN2C2CCCC2)c1[N+](=O)[O-] ZINC000858780249 1008422747 /nfs/dbraw/zinc/42/27/47/1008422747.db2.gz LMRKATUNWBRKIJ-CQSZACIVSA-N 0 3 364.402 2.733 20 5 FFBDHN Cc1nn(-c2ccccc2C)c(C)c1CNCCn1cc([N+](=O)[O-])cn1 ZINC000886026243 1008518104 /nfs/dbraw/zinc/51/81/04/1008518104.db2.gz RGWYFRFHERAQHC-UHFFFAOYSA-N 0 3 354.414 2.692 20 5 FFBDHN CC(C)[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000794604650 1010437178 /nfs/dbraw/zinc/43/71/78/1010437178.db2.gz MPHUJTGABIMHET-ROUUACIJSA-N 0 3 357.410 2.542 20 5 FFBDHN CC(C)(C)OC(=O)CN1CCC(NCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000865776190 1010859866 /nfs/dbraw/zinc/85/98/66/1010859866.db2.gz NHTFDWXZSRUNPC-UHFFFAOYSA-N 0 3 367.421 2.630 20 5 FFBDHN CN(CCN1CC2(C1)CCOCC2)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000866255802 1010962895 /nfs/dbraw/zinc/96/28/95/1010962895.db2.gz FHLBAZFSPUPELT-UHFFFAOYSA-N 0 3 356.426 2.692 20 5 FFBDHN CN1CC[C@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000867031703 1011925685 /nfs/dbraw/zinc/92/56/85/1011925685.db2.gz VRPFWCVPEUYINF-QFBILLFUSA-N 0 3 357.385 2.838 20 5 FFBDHN CN1CC[C@@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000867031701 1011925859 /nfs/dbraw/zinc/92/58/59/1011925859.db2.gz VRPFWCVPEUYINF-APWZRJJASA-N 0 3 357.385 2.838 20 5 FFBDHN COC(=O)c1csc(CN[C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)n1 ZINC001172895467 1012097075 /nfs/dbraw/zinc/09/70/75/1012097075.db2.gz DZDLKDDMVJEBBZ-ZDUSSCGKSA-N 0 3 361.423 2.875 20 5 FFBDHN C[C@@H](N)c1nccn1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173006132 1012173501 /nfs/dbraw/zinc/17/35/01/1012173501.db2.gz NBWDTQZHLPJSMY-SNVBAGLBSA-N 0 3 351.357 2.931 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCN(C3CCC3)CC2)c1F ZINC001173181338 1012323973 /nfs/dbraw/zinc/32/39/73/1012323973.db2.gz OSQVSDFBTKQASM-ZDUSSCGKSA-N 0 3 351.422 2.844 20 5 FFBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccccc2)[C@@H](CO)C1 ZINC001173224442 1012359409 /nfs/dbraw/zinc/35/94/09/1012359409.db2.gz FWOVRMCFNQYBJR-DYESRHJHSA-N 0 3 369.465 2.705 20 5 FFBDHN CC([C@H](OC(=O)/C=C\COC1CCOCC1)c1ccccc1F)[N+](=O)[O-] ZINC000870454888 1012390005 /nfs/dbraw/zinc/39/00/05/1012390005.db2.gz QFZBIWZTOKXWJW-JHDQUYFRSA-N 0 3 367.373 2.827 20 5 FFBDHN O=[N+]([O-])c1cccc2cc(-c3nc(-c4ccc5c(n4)CCNC5)no3)[nH]c21 ZINC001217277355 1032675746 /nfs/dbraw/zinc/67/57/46/1032675746.db2.gz QTMOYUYSURDWHX-UHFFFAOYSA-N 0 3 362.349 2.834 20 5 FFBDHN C[C@@H](NC(=O)CC1(N2CCOCC2)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000928250047 1018910684 /nfs/dbraw/zinc/91/06/84/1018910684.db2.gz YLIQALSZTCQSJA-OAHLLOKOSA-N 0 3 361.442 2.807 20 5 FFBDHN O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCN(C2CC2)CC1 ZINC000801873392 1019469861 /nfs/dbraw/zinc/46/98/61/1019469861.db2.gz POLIGXPATCYHQY-UHFFFAOYSA-N 0 3 372.381 2.562 20 5 FFBDHN C[C@H]1CCC[C@@H](N(C)CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000726586212 1020488497 /nfs/dbraw/zinc/48/84/97/1020488497.db2.gz IPFBARIZDAXWIR-UONOGXRCSA-N 0 3 360.414 2.831 20 5 FFBDHN COC(=O)CCN(Cc1ccccc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750056642 1021284390 /nfs/dbraw/zinc/28/43/90/1021284390.db2.gz YNPLNVLMPJXANG-GOSISDBHSA-N 0 3 358.394 2.694 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934836969 1021421968 /nfs/dbraw/zinc/42/19/68/1021421968.db2.gz GUIPBEFTCXMJCB-CVEARBPZSA-N 0 3 361.442 2.980 20 5 FFBDHN Cc1c([N+](=O)[O-])cc(C(=O)NCC(C)(C)N2CCCCC2)cc1[N+](=O)[O-] ZINC000042159975 1022145761 /nfs/dbraw/zinc/14/57/61/1022145761.db2.gz MMNHOYSMNNYNDB-UHFFFAOYSA-N 0 3 364.402 2.806 20 5 FFBDHN CN(CCOc1ccccc1[N+](=O)[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000075005595 1022987131 /nfs/dbraw/zinc/98/71/31/1022987131.db2.gz UCVSVSLHMPNIGH-AWEZNQCLSA-N 0 3 365.430 2.915 20 5 FFBDHN O=[N+]([O-])c1cc(Br)c(F)cc1O[C@H]1CNCCC1(F)F ZINC001218449325 1033160893 /nfs/dbraw/zinc/16/08/93/1033160893.db2.gz UIYWBQVPDRZKLK-JTQLQIEISA-N 0 3 355.110 2.872 20 5 FFBDHN CCN1CCN(CC(C)(C)NC(=O)/C=C(/C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000837135170 1025605596 /nfs/dbraw/zinc/60/55/96/1025605596.db2.gz PIVJVGIIVIXTKV-PEZBUJJGSA-N 0 3 374.485 2.530 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CN1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000839640209 1026769795 /nfs/dbraw/zinc/76/97/95/1026769795.db2.gz ICLNPMNWCLYKAY-MSOLQXFVSA-N 0 3 369.421 2.694 20 5 FFBDHN C[C@@]12CN(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000840116299 1026962921 /nfs/dbraw/zinc/96/29/21/1026962921.db2.gz OAKLXBMMMKTGTO-YEWFCNIMSA-N 0 3 351.410 2.955 20 5 FFBDHN CSc1nc(Cl)c([N+](=O)[O-])c(N2CCCc3ccc(CN)nc32)n1 ZINC001158650105 1027083985 /nfs/dbraw/zinc/08/39/85/1027083985.db2.gz VKQGRMJYYTUNIS-UHFFFAOYSA-N 0 3 366.834 2.698 20 5 FFBDHN CCOC(=O)c1ccnc(-n2c3ccccc3nc2[C@H](C)N)c1[N+](=O)[O-] ZINC001155256573 1028647984 /nfs/dbraw/zinc/64/79/84/1028647984.db2.gz MZHXRPNWQNIHDL-JTQLQIEISA-N 0 3 355.354 2.525 20 5 FFBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@H](CO)c2ccc(C(F)(F)F)cc2)cc1 ZINC000782091607 1029566039 /nfs/dbraw/zinc/56/60/39/1029566039.db2.gz PGDJGRHVCUIXAR-HZPDHXFCSA-N 0 3 370.327 2.970 20 5 FFBDHN O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCN[C@H](c2ccccc2)C1 ZINC001157758666 1029655724 /nfs/dbraw/zinc/65/57/24/1029655724.db2.gz BIRLMEKAPRHYSY-JTQLQIEISA-N 0 3 354.197 2.843 20 5 FFBDHN CSc1nc(Cl)nc(N2CCN[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC001157764635 1029658168 /nfs/dbraw/zinc/65/81/68/1029658168.db2.gz CLZDWQBXFZAICZ-NSHDSACASA-N 0 3 365.846 2.911 20 5 FFBDHN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NC[C@@H]1NCCc2ccccc21 ZINC000841854463 1030503678 /nfs/dbraw/zinc/50/36/78/1030503678.db2.gz ABHUAOOVRQAIMP-KRWDZBQOSA-N 0 3 374.828 2.934 20 5 FFBDHN COc1nc(NC[C@@H](c2ccccc2)N2CCCC2)nc(C)c1[N+](=O)[O-] ZINC001166866114 1030555293 /nfs/dbraw/zinc/55/52/93/1030555293.db2.gz WRGSXOROEJBUNL-HNNXBMFYSA-N 0 3 357.414 2.951 20 5 FFBDHN C[C@@H](O)[C@@H](O)CNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001203275925 1030659735 /nfs/dbraw/zinc/65/97/35/1030659735.db2.gz DHZQPCWCDFASQI-ABAIWWIYSA-N 0 3 366.801 2.872 20 5 FFBDHN CC(COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21)[N+](=O)[O-] ZINC000842801343 1030963932 /nfs/dbraw/zinc/96/39/32/1030963932.db2.gz HMQXZLUICOFQQD-SWLSCSKDSA-N 0 3 364.398 2.729 20 5 FFBDHN CCOC(=O)N1CCC(C)(CNCc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC001204952408 1031475396 /nfs/dbraw/zinc/47/53/96/1031475396.db2.gz AJNBLJQFPUZBQQ-UHFFFAOYSA-N 0 3 365.430 2.952 20 5 FFBDHN COc1cc(CN[C@H](CCO)Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000799349799 1031744391 /nfs/dbraw/zinc/74/43/91/1031744391.db2.gz KIRPUBMQPQZIPW-MRXNPFEDSA-N 0 3 360.410 2.695 20 5 FFBDHN COc1ccc(CO[C@H]2CC[C@H](N3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC001223513793 1033476539 /nfs/dbraw/zinc/47/65/39/1033476539.db2.gz ILHXSOYDPCAFCN-WKILWMFISA-N 0 3 350.415 2.763 20 5 FFBDHN COc1ccc(CO[C@H]2CC[C@H](N3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC001223649089 1033535898 /nfs/dbraw/zinc/53/58/98/1033535898.db2.gz ODRZKSWLWGAHTI-WKILWMFISA-N 0 3 350.415 2.763 20 5 FFBDHN O=[N+]([O-])c1cnc(OC2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001227108189 1034937998 /nfs/dbraw/zinc/93/79/98/1034937998.db2.gz KVPUBVMZPAGZNE-UHFFFAOYSA-N 0 3 358.354 2.941 20 5 FFBDHN CC[C@H]1CN(C)CCCN1C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001139628008 1035183578 /nfs/dbraw/zinc/18/35/78/1035183578.db2.gz KTHVJMSMIFABEU-AWEZNQCLSA-N 0 3 356.426 2.887 20 5 FFBDHN CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3nccc4ccc([N+](=O)[O-])cc43)C[C@H]1N2C ZINC001229010083 1036456340 /nfs/dbraw/zinc/45/63/40/1036456340.db2.gz ZCJQZOSUBYIDHQ-ONIAQPFYSA-N 0 3 371.393 2.689 20 5 FFBDHN Cc1cc(S(=O)(=O)[N-]CC[N@@H+](C)C2CCCCC2)c(F)cc1[N+](=O)[O-] ZINC001208543850 1038400483 /nfs/dbraw/zinc/40/04/83/1038400483.db2.gz NMRMCRPSYXFTRK-UHFFFAOYSA-N 0 3 373.450 2.585 20 5 FFBDHN Cc1cc(S(=O)(=O)[N-]CC[N@H+](C)C2CCCCC2)c(F)cc1[N+](=O)[O-] ZINC001208543850 1038400485 /nfs/dbraw/zinc/40/04/85/1038400485.db2.gz NMRMCRPSYXFTRK-UHFFFAOYSA-N 0 3 373.450 2.585 20 5 FFBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1cc(OC2CCOCC2)ncn1 ZINC001254544141 1040791139 /nfs/dbraw/zinc/79/11/39/1040791139.db2.gz HUCXPCUAWIZICD-CQSZACIVSA-N 0 3 372.425 2.663 20 5 FFBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1cn(Cc2ccncc2)cn1 ZINC001254545374 1040791391 /nfs/dbraw/zinc/79/13/91/1040791391.db2.gz MUJNKEBUOZTEIV-OAHLLOKOSA-N 0 3 351.410 2.955 20 5 FFBDHN CCOC(=O)C[C@H](N[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccnc1 ZINC001254578079 1040812091 /nfs/dbraw/zinc/81/20/91/1040812091.db2.gz IZJRBBWVNVCZAH-AEFFLSMTSA-N 0 3 355.394 2.741 20 5 FFBDHN O=C1OC2(CCN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)c2cccnc21 ZINC001254609584 1040837509 /nfs/dbraw/zinc/83/75/09/1040837509.db2.gz XYBZMVJQWAQICV-INIZCTEOSA-N 0 3 365.389 2.619 20 5 FFBDHN COc1cccc(O[C@H]2CCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)n1 ZINC001254610259 1040839483 /nfs/dbraw/zinc/83/94/83/1040839483.db2.gz ISCXLIFGQDZQNH-SJORKVTESA-N 0 3 355.394 2.619 20 5 FFBDHN Cc1cc(S(=O)(=O)N(C)C(C)(C)CN2CCCC2)c(F)cc1[N+](=O)[O-] ZINC001309607204 1043452312 /nfs/dbraw/zinc/45/23/12/1043452312.db2.gz RIRIQPFAHFXMHQ-UHFFFAOYSA-N 0 3 373.450 2.537 20 5 FFBDHN CS[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1N(C)C ZINC001321060999 1045528376 /nfs/dbraw/zinc/52/83/76/1045528376.db2.gz TWAHAJPIBBPWIF-OLZOCXBDSA-N 0 3 358.851 2.758 20 5 FFBDHN Cc1c([C@@H](C)NCCN2C(=O)COc3ccccc32)cccc1[N+](=O)[O-] ZINC001324843369 1046251255 /nfs/dbraw/zinc/25/12/55/1046251255.db2.gz YTACJSKHIQCBFX-CQSZACIVSA-N 0 3 355.394 2.979 20 5 FFBDHN CCOP(=O)(OCC)[C@@H](O)CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001327511190 1047928445 /nfs/dbraw/zinc/92/84/45/1047928445.db2.gz DRBQZSJGOLOOFQ-OAHLLOKOSA-N 0 3 358.331 2.537 20 5 FFBDHN O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N(CCN1CCCC1)c1ccccc1 ZINC001330573297 1049211177 /nfs/dbraw/zinc/21/11/77/1049211177.db2.gz YZAUZFRDNRVWNC-IBGZPJMESA-N 0 3 369.421 2.757 20 5 FFBDHN CN(C)CCN(C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C1CCCC1 ZINC001292958599 1049449003 /nfs/dbraw/zinc/44/90/03/1049449003.db2.gz XQELUNJBSMQEJK-UHFFFAOYSA-N 0 3 354.838 2.777 20 5 FFBDHN CC1(C)CCCN(CCNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC001297065162 1050117287 /nfs/dbraw/zinc/11/72/87/1050117287.db2.gz FSIFQYMUGFICPD-UHFFFAOYSA-N 0 3 371.441 2.837 20 5 FFBDHN O=[N+]([O-])c1ccc(-n2ccc(-c3nc([C@@H]4CN5CCC4CC5)no3)n2)cc1 ZINC001342547143 1051151143 /nfs/dbraw/zinc/15/11/43/1051151143.db2.gz SFDKUDZNQCPSSO-OAHLLOKOSA-N 0 3 366.381 2.640 20 5 FFBDHN COc1ccc(NC(=O)CNC2([C@@H]3CCCCO3)CCC2)c([N+](=O)[O-])c1 ZINC001308029795 1052387972 /nfs/dbraw/zinc/38/79/72/1052387972.db2.gz VDMIFFLMGIFESZ-INIZCTEOSA-N 0 3 363.414 2.623 20 5 FFBDHN O=[N+]([O-])c1cccc([C@@H](O)CNC[C@@](O)(c2ccccc2)C(F)(F)F)c1 ZINC001335367784 1053319431 /nfs/dbraw/zinc/31/94/31/1053319431.db2.gz VQSHJGBOQSDFKX-JKSUJKDBSA-N 0 3 370.327 2.668 20 5 FFBDHN CN(C)c1cc(F)c(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000847254990 1055322568 /nfs/dbraw/zinc/32/25/68/1055322568.db2.gz IGNYBJMAUCTYED-GJZGRUSLSA-N 0 3 364.421 2.547 20 5 FFBDHN C[C@H](COC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCCCC1 ZINC000847961389 1058523029 /nfs/dbraw/zinc/52/30/29/1058523029.db2.gz WTNWFNKSLKQKAH-CQSZACIVSA-N 0 3 358.398 2.812 20 5 FFBDHN O=C(NC[C@@H]1Cc2ccccc2CN1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001354571196 1059181614 /nfs/dbraw/zinc/18/16/14/1059181614.db2.gz UVBYSZVNDHVDPK-YTQUADARSA-N 0 3 351.406 2.529 20 5 FFBDHN CCOC(=O)[C@@H]1CC[C@@H]1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC001515769430 1059786552 /nfs/dbraw/zinc/78/65/52/1059786552.db2.gz VVLINAYNLMOSFL-MCYUEQNJSA-N 0 3 353.346 2.665 20 5 FFBDHN O=C(OC[C@H]1CCN1C1CCOCC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001517121113 1060354017 /nfs/dbraw/zinc/35/40/17/1060354017.db2.gz CSAFCRRHCJXIDI-GOSISDBHSA-N 0 3 374.437 2.813 20 5 FFBDHN Cc1ccc(Sc2ccc(CNC[C@H](O)[C@@H](C)O)cc2[N+](=O)[O-])cc1 ZINC001461670188 1061372552 /nfs/dbraw/zinc/37/25/52/1061372552.db2.gz OYJLIIPRFLRAGM-DYVFJYSZSA-N 0 3 362.451 2.886 20 5 FFBDHN Nc1c(NC(=O)NC[C@H]2CCCCN2C2CC2)cc(Cl)cc1[N+](=O)[O-] ZINC001476915805 1061509805 /nfs/dbraw/zinc/50/98/05/1061509805.db2.gz CFHWJWURBNQMOL-GFCCVEGCSA-N 0 3 367.837 2.969 20 5 FFBDHN COc1c([O-])ccc(C[NH2+]CCCCNC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC001474435693 1065522653 /nfs/dbraw/zinc/52/26/53/1065522653.db2.gz JTTZNGRMSSPJLK-UHFFFAOYSA-N 0 3 369.418 2.704 20 5 FFBDHN COc1c(O)ccc(CNCCCCNC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC001474435693 1065522666 /nfs/dbraw/zinc/52/26/66/1065522666.db2.gz JTTZNGRMSSPJLK-UHFFFAOYSA-N 0 3 369.418 2.704 20 5 FFBDHN CCCN1CCCC[C@H]1C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001558316373 1075978595 /nfs/dbraw/zinc/97/85/95/1075978595.db2.gz XFAXTOXKZQSKQB-KRWDZBQOSA-N 0 3 373.457 2.784 20 5 FFBDHN CCN1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C(C)(C)C1 ZINC001558527873 1076025262 /nfs/dbraw/zinc/02/52/62/1076025262.db2.gz SWOFYSQCOSGMQW-CQSZACIVSA-N 0 3 364.402 2.580 20 5 FFBDHN C[C@H](CN1CCC[C@@H](C)C1)Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001559080733 1076123897 /nfs/dbraw/zinc/12/38/97/1076123897.db2.gz SFLVBJFRNGERJM-ZIAGYGMSSA-N 0 3 358.442 2.979 20 5 FFBDHN CC(C)(C)OC(=O)NCCOCCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC001559868003 1076197057 /nfs/dbraw/zinc/19/70/57/1076197057.db2.gz HYYBKCVIRJOQSW-UHFFFAOYSA-N 0 3 367.446 2.961 20 5 FFBDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC001561617206 1076399279 /nfs/dbraw/zinc/39/92/79/1076399279.db2.gz AHENPIMAUVXEFJ-CQSZACIVSA-N 0 3 357.476 2.610 20 5 FFBDHN Cc1cncc([N+](=O)[O-])c1NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC001562587477 1076505999 /nfs/dbraw/zinc/50/59/99/1076505999.db2.gz GDGPNEHVTAUEHQ-SUMWQHHRSA-N 0 3 357.414 2.533 20 5 FFBDHN CCOc1cc(C(=O)N[C@@H]2CCCN(C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC001567354556 1077020273 /nfs/dbraw/zinc/02/02/73/1077020273.db2.gz FBGUMFYXYRXJJN-CYBMUJFWSA-N 0 3 365.430 2.605 20 5 FFBDHN CC(C)N1CCC[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC001567356436 1077020842 /nfs/dbraw/zinc/02/08/42/1077020842.db2.gz VYNUYBDQCYLGAZ-CYBMUJFWSA-N 0 3 370.247 2.960 20 5 FFBDHN Cn1cc(CNC[C@@H](O)Cc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105493001 250214700 /nfs/dbraw/zinc/21/47/00/250214700.db2.gz RLECJHFNVWSJOL-IBGZPJMESA-N 0 3 366.421 2.689 20 5 FFBDHN COc1cc(CNC[C@]2(O)CCc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000132161475 251050664 /nfs/dbraw/zinc/05/06/64/251050664.db2.gz NOBBKSLBLQWQCH-LJQANCHMSA-N 0 3 358.394 2.536 20 5 FFBDHN COc1cc(CNCCC[C@@H](C)CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000272484898 252049906 /nfs/dbraw/zinc/04/99/06/252049906.db2.gz TXEGSCSAJKBFQH-LLVKDONJSA-N 0 3 362.373 2.746 20 5 FFBDHN C[C@H]1CCCCN1CCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272527031 252059770 /nfs/dbraw/zinc/05/97/70/252059770.db2.gz MGGNGMVKISUEHY-YJBOKZPZSA-N 0 3 357.458 2.882 20 5 FFBDHN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C1=CCN(C)CC1 ZINC000272919574 252165306 /nfs/dbraw/zinc/16/53/06/252165306.db2.gz KDJLTXBRAVCWPJ-AWEZNQCLSA-N 0 3 358.442 2.575 20 5 FFBDHN C[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1=CCN(C)CC1 ZINC000272942329 252170458 /nfs/dbraw/zinc/17/04/58/252170458.db2.gz MCEHFBXEZRNIIU-SNVBAGLBSA-N 0 3 370.356 2.968 20 5 FFBDHN C[C@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1=CCN(C)CC1 ZINC000272987578 252183727 /nfs/dbraw/zinc/18/37/27/252183727.db2.gz PPVJVFYEJINCGH-AWEZNQCLSA-N 0 3 358.442 2.919 20 5 FFBDHN CC(C)(CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])CN1CCCC1 ZINC000276789983 256130959 /nfs/dbraw/zinc/13/09/59/256130959.db2.gz JIJUSLLCFCJCSN-UHFFFAOYSA-N 0 3 355.460 2.532 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1NCc1ccccc1CN1CC[C@H](O)C1)CCN2 ZINC000278189310 256286131 /nfs/dbraw/zinc/28/61/31/256286131.db2.gz DODJOCLGXUMLKE-INIZCTEOSA-N 0 3 368.437 2.742 20 5 FFBDHN O=[N+]([O-])c1ccc2[nH]c(CNC3CCN(c4ccccn4)CC3)nc2c1 ZINC000278727814 256341750 /nfs/dbraw/zinc/34/17/50/256341750.db2.gz QAEVLJOHULDAQO-UHFFFAOYSA-N 0 3 352.398 2.625 20 5 FFBDHN CN(C)[C@@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000278960338 256366785 /nfs/dbraw/zinc/36/67/85/256366785.db2.gz GNIGKHJVEDZCAR-CYBMUJFWSA-N 0 3 374.363 2.849 20 5 FFBDHN COc1ccc([C@H](CN(C)C)NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000286211555 257025744 /nfs/dbraw/zinc/02/57/44/257025744.db2.gz SPVKOHGGGRNNBS-KRWDZBQOSA-N 0 3 361.373 2.775 20 5 FFBDHN C[C@H]1CN(CCCNc2ncnc3sc([N+](=O)[O-])cc32)CCCO1 ZINC000287686122 257102381 /nfs/dbraw/zinc/10/23/81/257102381.db2.gz JRRCFMVFCUODKI-NSHDSACASA-N 0 3 351.432 2.512 20 5 FFBDHN CN(CCCN1CCN(C)CC1)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000289400895 257279362 /nfs/dbraw/zinc/27/93/62/257279362.db2.gz GMRICAGDTBRLGJ-UHFFFAOYSA-N 0 3 372.469 2.924 20 5 FFBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(CCc4ccncc4)CC3)nc2c1 ZINC000289504925 257284770 /nfs/dbraw/zinc/28/47/70/257284770.db2.gz LAFILXUTXNTGBB-UHFFFAOYSA-N 0 3 366.425 2.621 20 5 FFBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H]2CCCS(=O)(=O)C2)o1 ZINC000290231898 257321532 /nfs/dbraw/zinc/32/15/32/257321532.db2.gz YNNFZZQOWHBYDJ-CYBMUJFWSA-N 0 3 364.423 2.769 20 5 FFBDHN CCc1ccc(C(=O)N(CCCOC)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000290880097 257362405 /nfs/dbraw/zinc/36/24/05/257362405.db2.gz FKJVONFYNOBDBQ-UHFFFAOYSA-N 0 3 363.458 2.730 20 5 FFBDHN COC[C@@H](NCCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC000299731374 258021317 /nfs/dbraw/zinc/02/13/17/258021317.db2.gz XDIFLJFKJYNRTA-QGZVFWFLSA-N 0 3 373.409 2.909 20 5 FFBDHN CCc1nn(C)c(NC[C@@H]2CN(Cc3ccccc3)CCCO2)c1[N+](=O)[O-] ZINC000302685297 258108134 /nfs/dbraw/zinc/10/81/34/258108134.db2.gz AACLLPRRBGJMNP-MRXNPFEDSA-N 0 3 373.457 2.594 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301964442 258078540 /nfs/dbraw/zinc/07/85/40/258078540.db2.gz NTATVLHSSDZEMN-GOEBONIOSA-N 0 3 366.425 2.960 20 5 FFBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000332164849 258217055 /nfs/dbraw/zinc/21/70/55/258217055.db2.gz KNUAWITVWHKRTD-WCQYABFASA-N 0 3 369.368 2.895 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1C ZINC000331825448 258201826 /nfs/dbraw/zinc/20/18/26/258201826.db2.gz MXYBKXOLVQJHQR-HYVNUMGLSA-N 0 3 360.458 2.967 20 5 FFBDHN COc1cc(CN2CCN(CC(C)C)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000053782196 506442303 /nfs/dbraw/zinc/44/23/03/506442303.db2.gz JCYYODDSBBYIDD-UHFFFAOYSA-N 0 3 373.400 2.978 20 5 FFBDHN CN(CCNC(=O)CCNc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000054265695 506526211 /nfs/dbraw/zinc/52/62/11/506526211.db2.gz IWVQYUBHZBDBIP-UHFFFAOYSA-N 0 3 356.426 2.645 20 5 FFBDHN CN(CCCNC(=O)COc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000009982019 506720816 /nfs/dbraw/zinc/72/08/16/506720816.db2.gz VVHJOEXNWXENBE-UHFFFAOYSA-N 0 3 357.410 2.612 20 5 FFBDHN C[C@@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCC[C@@H]1C ZINC000067052669 506739144 /nfs/dbraw/zinc/73/91/44/506739144.db2.gz AMUZZHSQNJOKRY-GJZGRUSLSA-N 0 3 371.441 2.773 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCN(C(C)C)C(C)C)c1C ZINC000012141062 506822015 /nfs/dbraw/zinc/82/20/15/506822015.db2.gz GNDDFUIJFMSXIM-UHFFFAOYSA-N 0 3 357.476 2.609 20 5 FFBDHN CC1CCN(c2ccc(C(=O)NCCN3CCCC3)cc2[N+](=O)[O-])CC1 ZINC000016503233 507094879 /nfs/dbraw/zinc/09/48/79/507094879.db2.gz GIZKPBYNHCDPLS-UHFFFAOYSA-N 0 3 360.458 2.657 20 5 FFBDHN C[C@H]1CCCCN1CCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000017281879 507118747 /nfs/dbraw/zinc/11/87/47/507118747.db2.gz NVTANQCKHXPNMZ-ZDUSSCGKSA-N 0 3 355.460 2.675 20 5 FFBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000057005754 507144485 /nfs/dbraw/zinc/14/44/85/507144485.db2.gz NAZTUTRPUGGVJE-KRWDZBQOSA-N 0 3 354.410 2.669 20 5 FFBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCC(C)CC1 ZINC000047119958 507267770 /nfs/dbraw/zinc/26/77/70/507267770.db2.gz SMFLWMQLDRCCMH-CQSZACIVSA-N 0 3 351.472 2.924 20 5 FFBDHN COc1cc(C(=O)NCc2ccc(CN(C)C)cc2)c([N+](=O)[O-])cc1OC ZINC000023961922 507381210 /nfs/dbraw/zinc/38/12/10/507381210.db2.gz ZEUVZVCQVDJRSI-UHFFFAOYSA-N 0 3 373.409 2.604 20 5 FFBDHN CN(C)Cc1cccc(CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000069063768 507392199 /nfs/dbraw/zinc/39/21/99/507392199.db2.gz MKHGVUYRAVMEAD-UHFFFAOYSA-N 0 3 372.425 2.535 20 5 FFBDHN CC(C)CN1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000049969166 507646137 /nfs/dbraw/zinc/64/61/37/507646137.db2.gz JRVHGHHRYLSTDN-CYBMUJFWSA-N 0 3 368.865 2.849 20 5 FFBDHN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000051049482 507727284 /nfs/dbraw/zinc/72/72/84/507727284.db2.gz PZXFFLJUADVAOK-HZPDHXFCSA-N 0 3 363.458 2.990 20 5 FFBDHN CN(C)CCOc1ccc(CNc2nc3sccn3c2[N+](=O)[O-])cc1 ZINC000052408021 507808118 /nfs/dbraw/zinc/80/81/18/507808118.db2.gz AWSGZBIDWGTKSQ-UHFFFAOYSA-N 0 3 361.427 2.857 20 5 FFBDHN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000089580754 507847263 /nfs/dbraw/zinc/84/72/63/507847263.db2.gz YKYNNEIZMPVTLP-CYBMUJFWSA-N 0 3 364.423 2.728 20 5 FFBDHN O=[N+]([O-])c1ccc(NC2CCN([C@H]3CCOC3)CC2)cc1OC(F)F ZINC000089603550 507850207 /nfs/dbraw/zinc/85/02/07/507850207.db2.gz IEKPLSYIRMEHQQ-ZDUSSCGKSA-N 0 3 357.357 2.861 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](C)S[C@H](C)C1 ZINC000072771430 507851529 /nfs/dbraw/zinc/85/15/29/507851529.db2.gz FKHIWZMUFBATFQ-VXGBXAGGSA-N 0 3 353.444 2.758 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCN(C[C@@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000089952228 507889863 /nfs/dbraw/zinc/88/98/63/507889863.db2.gz QGMQIWIDYIPIGW-WBVHZDCISA-N 0 3 352.456 2.960 20 5 FFBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000090553060 507927518 /nfs/dbraw/zinc/92/75/18/507927518.db2.gz OVDZKYVDXPJBPT-AWEZNQCLSA-N 0 3 368.393 2.777 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(n2cccn2)CC1 ZINC000109007905 507931618 /nfs/dbraw/zinc/93/16/18/507931618.db2.gz FMXLLZJWVFMKLJ-UHFFFAOYSA-N 0 3 357.414 2.765 20 5 FFBDHN C[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])N(C)C1CC1 ZINC000079804449 508002663 /nfs/dbraw/zinc/00/26/63/508002663.db2.gz YXSHBZFLEHUGJL-SECBINFHSA-N 0 3 356.220 2.570 20 5 FFBDHN C[C@@H](c1ccccn1)N(C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000091702504 508003966 /nfs/dbraw/zinc/00/39/66/508003966.db2.gz KYJGDKPDYGWLPW-ZDUSSCGKSA-N 0 3 356.382 2.981 20 5 FFBDHN COc1cc(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000110354012 508022819 /nfs/dbraw/zinc/02/28/19/508022819.db2.gz XCRPOLVMCQTOSR-CQSZACIVSA-N 0 3 357.410 2.854 20 5 FFBDHN Cc1cc(NCc2ccc(CN3CCC(O)CC3)cc2)ncc1[N+](=O)[O-] ZINC000074748304 508052002 /nfs/dbraw/zinc/05/20/02/508052002.db2.gz PHSCCKMLYMGGPO-UHFFFAOYSA-N 0 3 356.426 2.867 20 5 FFBDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000081121239 508139700 /nfs/dbraw/zinc/13/97/00/508139700.db2.gz GDSLUZUIXGYXHD-LJQANCHMSA-N 0 3 353.422 2.870 20 5 FFBDHN COCCOc1ccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000093534755 508148330 /nfs/dbraw/zinc/14/83/30/508148330.db2.gz FZNIMZPMBDYRPZ-MRXNPFEDSA-N 0 3 372.425 2.701 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN(C)CC12CCCCC2 ZINC000081598580 508195115 /nfs/dbraw/zinc/19/51/15/508195115.db2.gz IZRJGMSSMXFCNM-UHFFFAOYSA-N 0 3 360.458 2.792 20 5 FFBDHN COc1ccc(CNCCc2nc3c(cccc3F)n2C)cc1[N+](=O)[O-] ZINC000113358990 508262426 /nfs/dbraw/zinc/26/24/26/508262426.db2.gz ZCBIDHYNZXVLMR-UHFFFAOYSA-N 0 3 358.373 2.962 20 5 FFBDHN COc1ccc(CNC[C@](C)(O)c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000114509561 508323173 /nfs/dbraw/zinc/32/31/73/508323173.db2.gz DWSYBPQROODXCH-KRWDZBQOSA-N 0 3 352.337 2.879 20 5 FFBDHN CN(C)[C@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000087007365 508331439 /nfs/dbraw/zinc/33/14/39/508331439.db2.gz LKGUMZLINNWNGD-IBGZPJMESA-N 0 3 355.438 2.817 20 5 FFBDHN CCOC(=O)c1ccnc(NC[C@@H](c2cccs2)N(C)C)c1[N+](=O)[O-] ZINC000077903470 508390283 /nfs/dbraw/zinc/39/02/83/508390283.db2.gz PEBREXPLFLAMFY-LBPRGKRZSA-N 0 3 364.427 2.943 20 5 FFBDHN Cc1ccc(NC(=O)CNc2ccccc2[N+](=O)[O-])c(OCCN(C)C)c1 ZINC000133596905 508422722 /nfs/dbraw/zinc/42/27/22/508422722.db2.gz VIZAZPZLQCTQFN-UHFFFAOYSA-N 0 3 372.425 2.894 20 5 FFBDHN O=C([C@H](C1CC1)N1CCCC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000127463294 508454341 /nfs/dbraw/zinc/45/43/41/508454341.db2.gz ZBIYALCSXZPAEU-IBGZPJMESA-N 0 3 373.453 2.839 20 5 FFBDHN O=[N+]([O-])c1cnn(CCN2CCN(Cc3cccc4ccccc43)CC2)c1 ZINC000157443816 508566767 /nfs/dbraw/zinc/56/67/67/508566767.db2.gz KGUUBXCHGAPOEO-UHFFFAOYSA-N 0 3 365.437 2.762 20 5 FFBDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000153712804 508632814 /nfs/dbraw/zinc/63/28/14/508632814.db2.gz BOUOMQQWGWHEKM-MRXNPFEDSA-N 0 3 357.385 2.796 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1CCCC[C@@H]1n1cccn1 ZINC000128933875 508661245 /nfs/dbraw/zinc/66/12/45/508661245.db2.gz WAOZLSXXRHUMIO-RDJZCZTQSA-N 0 3 357.414 2.812 20 5 FFBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@@H](C)C1 ZINC000123422134 508684265 /nfs/dbraw/zinc/68/42/65/508684265.db2.gz MYSUNKDAEPTKJL-KGLIPLIRSA-N 0 3 356.426 2.993 20 5 FFBDHN CCN(Cc1ccc(C(=O)N(C)C)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153970204 508688861 /nfs/dbraw/zinc/68/88/61/508688861.db2.gz VQUQBTVWHQHZGK-LJQANCHMSA-N 0 3 371.437 2.852 20 5 FFBDHN CN(C(=O)CN1CCN(C2CCCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000141764170 508819011 /nfs/dbraw/zinc/81/90/11/508819011.db2.gz VXBZKIJIJYUUJF-UHFFFAOYSA-N 0 3 360.458 2.508 20 5 FFBDHN C[C@@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC[C@H](C)C1 ZINC000148596172 508864518 /nfs/dbraw/zinc/86/45/18/508864518.db2.gz RDYRDTDQBLKMNI-GJZGRUSLSA-N 0 3 371.441 2.631 20 5 FFBDHN CN(CCCN1CCN(C)CC1)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000161046505 509064653 /nfs/dbraw/zinc/06/46/53/509064653.db2.gz RTSWMAQOIRACMF-UHFFFAOYSA-N 0 3 360.380 2.687 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)CC[C@@H]2CCCCN2C)c1C ZINC000121013880 509110238 /nfs/dbraw/zinc/11/02/38/509110238.db2.gz UQZRBGISGDPFKV-HNNXBMFYSA-N 0 3 369.487 2.707 20 5 FFBDHN CN(C)Cc1cccc(C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000156213015 509145415 /nfs/dbraw/zinc/14/54/15/509145415.db2.gz GMKMXRBUXYMOLA-UHFFFAOYSA-N 0 3 366.381 2.694 20 5 FFBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000121427114 509173200 /nfs/dbraw/zinc/17/32/00/509173200.db2.gz TYBIKAAUUXHLBD-NSHDSACASA-N 0 3 370.247 2.771 20 5 FFBDHN Cc1c(C(=O)NCc2ccc3c(c2)CNC3)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000188671717 509205551 /nfs/dbraw/zinc/20/55/51/509205551.db2.gz ZVNAQVYFEMODGL-UHFFFAOYSA-N 0 3 370.365 2.653 20 5 FFBDHN C[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000182404288 509220823 /nfs/dbraw/zinc/22/08/23/509220823.db2.gz IAWHHPPPVDGFGJ-SWLSCSKDSA-N 0 3 361.354 2.594 20 5 FFBDHN CN(C)[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000191884249 509229355 /nfs/dbraw/zinc/22/93/55/509229355.db2.gz VPSDGUQNJLEVCN-KRWDZBQOSA-N 0 3 369.487 2.525 20 5 FFBDHN COc1ccc(NC(=O)CN[C@@H](C)[C@@H]2COc3ccccc32)c([N+](=O)[O-])c1 ZINC000185550134 509232529 /nfs/dbraw/zinc/23/25/29/509232529.db2.gz GNKOUZROTUGCLZ-WFASDCNBSA-N 0 3 371.393 2.696 20 5 FFBDHN CN(C)C[C@@H]1CCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000263939979 509238615 /nfs/dbraw/zinc/23/86/15/509238615.db2.gz ZBOFWVQZJHDQQU-INIZCTEOSA-N 0 3 363.461 2.707 20 5 FFBDHN Nc1c(C(=O)NC2CCN(CCc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000175972096 509247761 /nfs/dbraw/zinc/24/77/61/509247761.db2.gz QLCMCTNBWBBUHO-UHFFFAOYSA-N 0 3 368.437 2.614 20 5 FFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000248356597 509274826 /nfs/dbraw/zinc/27/48/26/509274826.db2.gz OMLJYRJFIKNSHO-HOCLYGCPSA-N 0 3 369.487 2.562 20 5 FFBDHN CCN1CCN([C@H]2CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C2)CC1 ZINC000266987097 509294045 /nfs/dbraw/zinc/29/40/45/509294045.db2.gz SOZCILFKFQYHPU-AWEZNQCLSA-N 0 3 372.391 2.830 20 5 FFBDHN COc1cccc(NCc2ccccc2CN2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000185698766 509310029 /nfs/dbraw/zinc/31/00/29/509310029.db2.gz TWIRPYLWBZMSJZ-INIZCTEOSA-N 0 3 357.410 2.782 20 5 FFBDHN O=[N+]([O-])c1ccn(CCN2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)n1 ZINC000176237892 509395750 /nfs/dbraw/zinc/39/57/50/509395750.db2.gz UKUDNWKPYDWIAN-KRWDZBQOSA-N 0 3 364.833 2.890 20 5 FFBDHN COc1cc(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)cc([N+](=O)[O-])c1C ZINC000189182754 509452970 /nfs/dbraw/zinc/45/29/70/509452970.db2.gz BTWVPMUGEKJPPL-KRWDZBQOSA-N 0 3 371.437 2.815 20 5 FFBDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176417423 509497437 /nfs/dbraw/zinc/49/74/37/509497437.db2.gz SJPFJVVFFBHJOQ-UHFFFAOYSA-N 0 3 356.426 2.901 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000248901873 509535710 /nfs/dbraw/zinc/53/57/10/509535710.db2.gz UNMXMMYRDXQWRK-HNAYVOBHSA-N 0 3 368.437 2.915 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000248950445 509552367 /nfs/dbraw/zinc/55/23/67/509552367.db2.gz ZSWZCAYWMOWPDA-MAUKXSAKSA-N 0 3 368.437 2.915 20 5 FFBDHN CN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CCN(C)CC1 ZINC000192560522 509554920 /nfs/dbraw/zinc/55/49/20/509554920.db2.gz CSGKQTVXIXARAG-UHFFFAOYSA-N 0 3 363.461 2.707 20 5 FFBDHN C[C@@H](NCc1ccc(C(=O)NCCN(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173429001 509593814 /nfs/dbraw/zinc/59/38/14/509593814.db2.gz DJTMYFMVEFSTHI-OAHLLOKOSA-N 0 3 370.453 2.737 20 5 FFBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1c2ccccc2C[C@@H]1O ZINC000166597425 509612019 /nfs/dbraw/zinc/61/20/19/509612019.db2.gz AKEGGKAPCXJMKN-LWLIDHTLSA-N 0 3 355.394 2.560 20 5 FFBDHN C[C@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H](N)c1ccccc1 ZINC000237419077 509643497 /nfs/dbraw/zinc/64/34/97/509643497.db2.gz YAEUOABOHWLNBZ-HNAYVOBHSA-N 0 3 368.437 2.580 20 5 FFBDHN C[C@@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H](N)c1ccccc1 ZINC000237698700 509713303 /nfs/dbraw/zinc/71/33/03/509713303.db2.gz YAEUOABOHWLNBZ-BEFAXECRSA-N 0 3 368.437 2.580 20 5 FFBDHN CCN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000189723670 509721006 /nfs/dbraw/zinc/72/10/06/509721006.db2.gz YORINFGROGLUSP-KRWDZBQOSA-N 0 3 368.437 2.914 20 5 FFBDHN Cc1ccc(C)c(S(=O)(=O)[N-]C2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000190083488 509928958 /nfs/dbraw/zinc/92/89/58/509928958.db2.gz LFSZXJCIDJJLTF-UHFFFAOYSA-N 0 3 369.487 2.610 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1SC ZINC000245436957 509933222 /nfs/dbraw/zinc/93/32/22/509933222.db2.gz DNVWKTLOJCAROT-NEPJUHHUSA-N 0 3 365.455 2.634 20 5 FFBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000265284419 509966607 /nfs/dbraw/zinc/96/66/07/509966607.db2.gz JFMLLZICXQPKNK-ZIAGYGMSSA-N 0 3 351.472 2.876 20 5 FFBDHN CN(C)C1(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCC1 ZINC000187008080 510001338 /nfs/dbraw/zinc/00/13/38/510001338.db2.gz LNGAYNDLLDNCBB-UHFFFAOYSA-N 0 3 357.357 2.753 20 5 FFBDHN C[C@H](NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000245602267 510032723 /nfs/dbraw/zinc/03/27/23/510032723.db2.gz PKRRSCKNVQNFPO-CWFSZBLJSA-N 0 3 355.438 2.881 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CN1CCNC[C@@H]1c1ccccc1OC ZINC000261838686 510083220 /nfs/dbraw/zinc/08/32/20/510083220.db2.gz UFDRZRITHBCXSK-QGZVFWFLSA-N 0 3 357.410 2.759 20 5 FFBDHN CN(CCOc1ccc(C(F)(F)F)cc1)CCn1cc([N+](=O)[O-])cn1 ZINC000190369010 510091140 /nfs/dbraw/zinc/09/11/40/510091140.db2.gz BEHJWHZHDSYRAC-UHFFFAOYSA-N 0 3 358.320 2.821 20 5 FFBDHN Cc1nn(CCC(=O)N(CCN(C)C)C2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000171442219 510161070 /nfs/dbraw/zinc/16/10/70/510161070.db2.gz TYJXGMBPAFJIHR-UHFFFAOYSA-N 0 3 365.478 2.521 20 5 FFBDHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000174661900 510236702 /nfs/dbraw/zinc/23/67/02/510236702.db2.gz FBLCOCZNEHSMJW-QMTHXVAHSA-N 0 3 358.320 2.522 20 5 FFBDHN COc1cc(NCc2cccc(C(=O)NCCN(C)C)c2)ccc1[N+](=O)[O-] ZINC000174724487 510271711 /nfs/dbraw/zinc/27/17/11/510271711.db2.gz UQZIRTRVWLYSGK-UHFFFAOYSA-N 0 3 372.425 2.507 20 5 FFBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000184341581 510272781 /nfs/dbraw/zinc/27/27/81/510272781.db2.gz YNAPVQGWELYPER-CYBMUJFWSA-N 0 3 374.466 2.881 20 5 FFBDHN O=C(NCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccn[nH]1 ZINC000181135504 510283352 /nfs/dbraw/zinc/28/33/52/510283352.db2.gz WAUNXVGAZRRFQA-UHFFFAOYSA-N 0 3 371.422 2.566 20 5 FFBDHN COc1cc(C[NH2+][C@H]2CCOC3(CCSCC3)C2)c([N+](=O)[O-])cc1[O-] ZINC000269357646 510360191 /nfs/dbraw/zinc/36/01/91/510360191.db2.gz UQQJQXLGMVBVIP-ZDUSSCGKSA-N 0 3 368.455 2.843 20 5 FFBDHN CC[C@@H](NCCN1C(=O)NC2(CCCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000181542711 510465236 /nfs/dbraw/zinc/46/52/36/510465236.db2.gz BFXXDLVVRAYXKC-OAHLLOKOSA-N 0 3 360.414 2.500 20 5 FFBDHN CC(C)(C)[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000181631306 510511536 /nfs/dbraw/zinc/51/15/36/510511536.db2.gz RAZQFVTUGNOUMO-CZUORRHYSA-N 0 3 368.384 2.807 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(NCc2cccc(C(=O)NCCN(C)C)c2)c1 ZINC000266433013 510583864 /nfs/dbraw/zinc/58/38/64/510583864.db2.gz URIPABQDBAAMSY-UHFFFAOYSA-N 0 3 372.425 2.507 20 5 FFBDHN C[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000269997237 510634176 /nfs/dbraw/zinc/63/41/76/510634176.db2.gz WUDULKAMAJVHPB-IXKJSCDLSA-N 0 3 359.426 2.859 20 5 FFBDHN Cc1c(NC(=O)[C@H](C)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cccc1[N+](=O)[O-] ZINC000270046934 510651477 /nfs/dbraw/zinc/65/14/77/510651477.db2.gz UBVRZXCSLRIJCX-NSNWQYSKSA-N 0 3 359.426 2.777 20 5 FFBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)CC1(N2CCOCC2)CCCC1 ZINC000172411801 510713516 /nfs/dbraw/zinc/71/35/16/510713516.db2.gz QTWNBTAFMINZND-UHFFFAOYSA-N 0 3 361.442 2.588 20 5 FFBDHN CN1CC[C@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]1c1ccccc1 ZINC000270235558 510727875 /nfs/dbraw/zinc/72/78/75/510727875.db2.gz BEGHVEQKPREZPX-RBUKOAKNSA-N 0 3 369.421 2.996 20 5 FFBDHN CC(C)(C)OC(=O)NC[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000185232466 510760164 /nfs/dbraw/zinc/76/01/64/510760164.db2.gz FQVMSKJOSXMPTE-CVEARBPZSA-N 0 3 365.430 2.521 20 5 FFBDHN CCSc1ccc([C@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000182136747 510775502 /nfs/dbraw/zinc/77/55/02/510775502.db2.gz JJUBGLNZXDQLBJ-SWLSCSKDSA-N 0 3 350.444 2.615 20 5 FFBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000247111225 510836491 /nfs/dbraw/zinc/83/64/91/510836491.db2.gz LOAVKESDIAXOQD-BBRMVZONSA-N 0 3 351.834 2.733 20 5 FFBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000247267803 510854951 /nfs/dbraw/zinc/85/49/51/510854951.db2.gz FIQCKGSRMPODET-XEZPLFJOSA-N 0 3 351.472 2.874 20 5 FFBDHN CCc1ccc([C@H]2CCCCCN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000247500217 510863396 /nfs/dbraw/zinc/86/33/96/510863396.db2.gz LPWLQSAWIQDKDK-NVXWUHKLSA-N 0 3 362.430 2.925 20 5 FFBDHN CN1CC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1c1ccccc1 ZINC000270607709 510922275 /nfs/dbraw/zinc/92/22/75/510922275.db2.gz DWFFNIBEBHYFFG-APWZRJJASA-N 0 3 373.384 2.674 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000361035447 510983946 /nfs/dbraw/zinc/98/39/46/510983946.db2.gz ZQBGNAVEJWZFSK-KUHUBIRLSA-N 0 3 368.437 2.939 20 5 FFBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000285659507 510998046 /nfs/dbraw/zinc/99/80/46/510998046.db2.gz FHTWSDWEKNXVEB-RHSMWYFYSA-N 0 3 356.426 2.635 20 5 FFBDHN Cc1ccc(C(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)cc1[N+](=O)[O-] ZINC000270835990 510999714 /nfs/dbraw/zinc/99/97/14/510999714.db2.gz DHFXFHIFQQPVQZ-UHFFFAOYSA-N 0 3 374.485 2.534 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCCN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000286515341 511027745 /nfs/dbraw/zinc/02/77/45/511027745.db2.gz NACHZEYTDQXRCR-SWLSCSKDSA-N 0 3 362.348 2.856 20 5 FFBDHN CS(=O)(=O)CC1CCC(NCc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000294690454 511143826 /nfs/dbraw/zinc/14/38/26/511143826.db2.gz BRLXUBZLNKJNEL-UHFFFAOYSA-N 0 3 360.863 2.941 20 5 FFBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCC3(CCOCC3)[C@H]2O)c(Cl)c1 ZINC000282959912 511177994 /nfs/dbraw/zinc/17/79/94/511177994.db2.gz YIZAIBPPCYKJBI-BBRMVZONSA-N 0 3 354.834 2.906 20 5 FFBDHN COCCOC1(CNCc2cc(Cl)ccc2[N+](=O)[O-])CCOCC1 ZINC000294923827 511223248 /nfs/dbraw/zinc/22/32/48/511223248.db2.gz YYCLPXBVLHXAJA-UHFFFAOYSA-N 0 3 358.822 2.550 20 5 FFBDHN Cn1cc([C@@H]2CN(Cc3cccc([N+](=O)[O-])c3)CC23CCOCC3)cn1 ZINC000295098306 511281327 /nfs/dbraw/zinc/28/13/27/511281327.db2.gz UMTATYCPVYRAGO-SFHVURJKSA-N 0 3 356.426 2.725 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC(F)(F)[C@H](CO)C3)o2)c1 ZINC000291907060 511387167 /nfs/dbraw/zinc/38/71/67/511387167.db2.gz RPZXGUGPHHOGGM-ZDUSSCGKSA-N 0 3 367.352 2.742 20 5 FFBDHN CS[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1N(C)C ZINC000271985069 511392419 /nfs/dbraw/zinc/39/24/19/511392419.db2.gz FEPBSBRPNVPUPV-HZPDHXFCSA-N 0 3 362.455 2.727 20 5 FFBDHN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCC1CCN(C2CC2)CC1 ZINC000295715772 511493423 /nfs/dbraw/zinc/49/34/23/511493423.db2.gz UXPSBLGBBKSGEE-UHFFFAOYSA-N 0 3 359.426 2.548 20 5 FFBDHN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000284360439 511696299 /nfs/dbraw/zinc/69/62/99/511696299.db2.gz KRQLJYHJULPHHC-QGZVFWFLSA-N 0 3 370.457 2.938 20 5 FFBDHN CC(C)[C@@H](CNc1nccc2cc([N+](=O)[O-])ccc21)N1CCN(C)CC1 ZINC000296489002 511764713 /nfs/dbraw/zinc/76/47/13/511764713.db2.gz KZCJAFMJONCLQL-GOSISDBHSA-N 0 3 357.458 2.827 20 5 FFBDHN O=C(c1ccc([N+](=O)[O-])o1)N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000365999260 511777012 /nfs/dbraw/zinc/77/70/12/511777012.db2.gz YKJZLMUWTGVRJD-HZPDHXFCSA-N 0 3 355.394 2.782 20 5 FFBDHN CC[C@H](N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000284720678 511839274 /nfs/dbraw/zinc/83/92/74/511839274.db2.gz CLUOVCCBJVHQJL-FRQCXROJSA-N 0 3 371.441 2.731 20 5 FFBDHN C[C@@H](NCCNc1nccc(C(F)(F)F)n1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293273777 511903955 /nfs/dbraw/zinc/90/39/55/511903955.db2.gz CMWFDJATMREFEZ-SECBINFHSA-N 0 3 370.335 2.749 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293353978 511934830 /nfs/dbraw/zinc/93/48/30/511934830.db2.gz KXMZRIYPIUGQTA-YMTOWFKASA-N 0 3 357.332 2.826 20 5 FFBDHN CN1CCC[C@]2(CCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000293827376 512093349 /nfs/dbraw/zinc/09/33/49/512093349.db2.gz BRCAFEDEHGPGDP-IBGZPJMESA-N 0 3 360.458 2.731 20 5 FFBDHN CC(C)N1CCN([C@H]2CCN(c3ccc4ncccc4c3[N+](=O)[O-])C2)CC1 ZINC000375871641 512547240 /nfs/dbraw/zinc/54/72/40/512547240.db2.gz LXQOGXAWQPAQFA-INIZCTEOSA-N 0 3 369.469 2.748 20 5 FFBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](CCO)c1ccccc1 ZINC000411287893 512563525 /nfs/dbraw/zinc/56/35/25/512563525.db2.gz BJWJMHWMZGTNKT-SFHVURJKSA-N 0 3 357.410 2.979 20 5 FFBDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411548972 512683821 /nfs/dbraw/zinc/68/38/21/512683821.db2.gz GKFSDBJQWLHUEQ-YSIASYRMSA-N 0 3 367.449 2.987 20 5 FFBDHN C[C@@H]1[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCN1Cc1ccccc1 ZINC000383835702 512881394 /nfs/dbraw/zinc/88/13/94/512881394.db2.gz SXBJJCHULPGTKW-WBMJQRKESA-N 0 3 372.400 2.709 20 5 FFBDHN COc1ccc(OCCN2C[C@@H](O)C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000411949315 512885432 /nfs/dbraw/zinc/88/54/32/512885432.db2.gz QKBABSOVNRSZHP-RDJZCZTQSA-N 0 3 358.394 2.790 20 5 FFBDHN CN(C)C1(CNc2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000397731832 512948661 /nfs/dbraw/zinc/94/86/61/512948661.db2.gz AISDQORFYIBZFD-UHFFFAOYSA-N 0 3 361.183 2.706 20 5 FFBDHN C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000370705133 513061364 /nfs/dbraw/zinc/06/13/64/513061364.db2.gz DZXSOFJFPAQGJB-RJGJNRFASA-N 0 3 358.486 2.566 20 5 FFBDHN Cc1cc(CN)cc(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000424427697 513139982 /nfs/dbraw/zinc/13/99/82/513139982.db2.gz QKIRRPGFJHZFFD-UHFFFAOYSA-N 0 3 356.382 2.788 20 5 FFBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000445904614 513144937 /nfs/dbraw/zinc/14/49/37/513144937.db2.gz RXVGSNZSQCQTAM-GJZGRUSLSA-N 0 3 360.458 2.925 20 5 FFBDHN O=C(NC1CC1)c1ccc(NC[C@@H]2CCCCN2C2CC2)c([N+](=O)[O-])c1 ZINC000433799381 513154041 /nfs/dbraw/zinc/15/40/41/513154041.db2.gz QZILMJHTEDRAEV-INIZCTEOSA-N 0 3 358.442 2.916 20 5 FFBDHN COC1CCN(C(C)(C)CNC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000446054596 513172106 /nfs/dbraw/zinc/17/21/06/513172106.db2.gz QPRYTKGUEJZDRK-UHFFFAOYSA-N 0 3 363.458 2.533 20 5 FFBDHN C[C@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CC[C@@H]1N1CCN(C)CC1 ZINC000450404054 513180139 /nfs/dbraw/zinc/18/01/39/513180139.db2.gz BTJDDZVJDVYPRB-KXBFYZLASA-N 0 3 369.469 2.605 20 5 FFBDHN Cc1nc(Nc2cccc(N3CCN(C(C)C)CC3)c2)ncc1[N+](=O)[O-] ZINC000450417091 513185806 /nfs/dbraw/zinc/18/58/06/513185806.db2.gz IOGIFRDYYZOPJW-UHFFFAOYSA-N 0 3 356.430 2.967 20 5 FFBDHN C[C@H]1C[C@H]1N1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H](C)C1 ZINC000428992585 513243397 /nfs/dbraw/zinc/24/33/97/513243397.db2.gz BHAUZZYUBWEZOP-JKIFEVAISA-N 0 3 371.441 2.807 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1NCCc2ccccc21 ZINC000415499657 513294760 /nfs/dbraw/zinc/29/47/60/513294760.db2.gz KFNSALXSLPMZDE-MRXNPFEDSA-N 0 3 356.382 2.612 20 5 FFBDHN CCc1ccccc1[C@@H](N)CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417947578 513299076 /nfs/dbraw/zinc/29/90/76/513299076.db2.gz SKQZZZUCUXQIIA-SFHVURJKSA-N 0 3 356.426 2.699 20 5 FFBDHN CC(=O)N1CCCN(C[C@@H]2CCCN(c3ccc([N+](=O)[O-])c(C)c3)C2)CC1 ZINC000450777153 513336338 /nfs/dbraw/zinc/33/63/38/513336338.db2.gz RWHNXASQKBLYOJ-SFHVURJKSA-N 0 3 374.485 2.674 20 5 FFBDHN CN(C[C@@H]1CCCN1C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000421708042 513380786 /nfs/dbraw/zinc/38/07/86/513380786.db2.gz YXVUESBTUSIATG-NSHDSACASA-N 0 3 356.220 2.524 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415953083 513496263 /nfs/dbraw/zinc/49/62/63/513496263.db2.gz IAGXYQHHAIFVNN-UHFFFAOYSA-N 0 3 374.372 2.710 20 5 FFBDHN C[C@H](NCCC(=O)NCC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000451105270 513525366 /nfs/dbraw/zinc/52/53/66/513525366.db2.gz SRBGZHSFTBCUCG-AWEZNQCLSA-N 0 3 355.394 2.635 20 5 FFBDHN C[C@H]1CN(CCCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CCCO1 ZINC000413262296 513555791 /nfs/dbraw/zinc/55/57/91/513555791.db2.gz JRKYXCNKVMAIQA-NSHDSACASA-N 0 3 362.352 2.921 20 5 FFBDHN CN(Cc1ccc(Br)cc1[N+](=O)[O-])C1(CCO)CCOCC1 ZINC000425465381 513579711 /nfs/dbraw/zinc/57/97/11/513579711.db2.gz ZHPPFLUVJAVYRW-UHFFFAOYSA-N 0 3 373.247 2.721 20 5 FFBDHN O=C(CCN1CCc2ccccc2C1)NCCc1ccccc1[N+](=O)[O-] ZINC000416153678 513604435 /nfs/dbraw/zinc/60/44/35/513604435.db2.gz FBMUBMAAWSTGPX-UHFFFAOYSA-N 0 3 353.422 2.702 20 5 FFBDHN CCOc1cc(CN2CCN(C(C)(C)COC)CC2)ccc1[N+](=O)[O-] ZINC000425512905 513613275 /nfs/dbraw/zinc/61/32/75/513613275.db2.gz YWMRPCBNTNACAE-UHFFFAOYSA-N 0 3 351.447 2.536 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[C@H](n4ccnn4)C3)o2)c1 ZINC000425521395 513618952 /nfs/dbraw/zinc/61/89/52/513618952.db2.gz ZPBJZBBPKAJBRV-INIZCTEOSA-N 0 3 368.397 2.721 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1c2ccccc2CC[C@H]1CN(C)C ZINC000425636209 513672122 /nfs/dbraw/zinc/67/21/22/513672122.db2.gz XCLJZZPBDDUJNC-HNNXBMFYSA-N 0 3 354.410 2.821 20 5 FFBDHN NC(=O)C1CCN(Cc2ccc(CNc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000413576611 513721223 /nfs/dbraw/zinc/72/12/23/513721223.db2.gz HRIDNSVFASTNSH-UHFFFAOYSA-N 0 3 368.437 2.904 20 5 FFBDHN COc1ccc(NC(=O)[C@H](C)N[C@H]2C[C@@](C)(OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451485181 513781901 /nfs/dbraw/zinc/78/19/01/513781901.db2.gz IGXBZJLRJCUXCA-GEWABHDNSA-N 0 3 365.430 2.724 20 5 FFBDHN O=C(CN[C@@H]([C@H](CO)C1CC1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451606911 513862616 /nfs/dbraw/zinc/86/26/16/513862616.db2.gz MGNYHAOOOVKLEX-CXAGYDPISA-N 0 3 367.833 2.573 20 5 FFBDHN C[N@@H+]1CCCC[C@@H]1CCC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000431786288 514001947 /nfs/dbraw/zinc/00/19/47/514001947.db2.gz SACQPYJKXQZINJ-CQSZACIVSA-N 0 3 357.414 2.610 20 5 FFBDHN C[N@H+]1CCCC[C@@H]1CCC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000431786288 514001953 /nfs/dbraw/zinc/00/19/53/514001953.db2.gz SACQPYJKXQZINJ-CQSZACIVSA-N 0 3 357.414 2.610 20 5 FFBDHN CC[C@H]1CCCCN1CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448985467 514008237 /nfs/dbraw/zinc/00/82/37/514008237.db2.gz XGKHNFKMLHYXHI-INIZCTEOSA-N 0 3 361.442 2.938 20 5 FFBDHN COc1ccccc1N1CC[C@@H](N[C@@H](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000449191977 514107292 /nfs/dbraw/zinc/10/72/92/514107292.db2.gz PXXGZWLSIOAHII-GOEBONIOSA-N 0 3 369.421 2.930 20 5 FFBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCC(=O)N[C@H]1CCOc2ccccc21 ZINC000449305980 514155624 /nfs/dbraw/zinc/15/56/24/514155624.db2.gz JBECIFXDKQIJDN-PBHICJAKSA-N 0 3 369.421 2.755 20 5 FFBDHN C[C@@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000432329419 514162290 /nfs/dbraw/zinc/16/22/90/514162290.db2.gz PKWUHMNGNVGIBU-WBVHZDCISA-N 0 3 369.469 2.605 20 5 FFBDHN C[C@@H]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000420604078 514197184 /nfs/dbraw/zinc/19/71/84/514197184.db2.gz QZJOZZLUKOXTQG-OAHLLOKOSA-N 0 3 368.437 2.795 20 5 FFBDHN CC(C)N1CC[C@@H](N(C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000452112072 514198157 /nfs/dbraw/zinc/19/81/57/514198157.db2.gz FAURMWXSDMZMBH-CYBMUJFWSA-N 0 3 354.838 2.601 20 5 FFBDHN Cc1ccc([C@@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc2)cc1 ZINC000437647253 514202800 /nfs/dbraw/zinc/20/28/00/514202800.db2.gz RHBOJPVNKVFLQE-UXHICEINSA-N 0 3 366.421 2.840 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCO[C@H](c2ccnn2C)C1 ZINC000449582363 514263163 /nfs/dbraw/zinc/26/31/63/514263163.db2.gz FVXMNLUEXQHNTH-KDOFPFPSSA-N 0 3 360.414 2.737 20 5 FFBDHN CC1(C)CCCN(CCNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000444618151 514275791 /nfs/dbraw/zinc/27/57/91/514275791.db2.gz ITZHBKCCHLBQKY-UHFFFAOYSA-N 0 3 371.441 2.632 20 5 FFBDHN CC(C)c1ccc(CN2CCN([C@@H]3CCNC(=O)CC3)CC2)cc1[N+](=O)[O-] ZINC000449700176 514311660 /nfs/dbraw/zinc/31/16/60/514311660.db2.gz PTMWOGSFLPIIIM-KRWDZBQOSA-N 0 3 374.485 2.505 20 5 FFBDHN CN(C[C@@H]1CCCN1C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420831234 514326468 /nfs/dbraw/zinc/32/64/68/514326468.db2.gz YXEQNLISXNHKMM-AWEZNQCLSA-N 0 3 354.838 2.526 20 5 FFBDHN Cc1c(CC(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)cccc1[N+](=O)[O-] ZINC000424008516 514336531 /nfs/dbraw/zinc/33/65/31/514336531.db2.gz IFYXFRACKRHWKM-DLBZAZTESA-N 0 3 357.385 2.538 20 5 FFBDHN Cc1c(CC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000438904679 514464874 /nfs/dbraw/zinc/46/48/74/514464874.db2.gz VQUZOIZGPFPTEC-GOSISDBHSA-N 0 3 353.422 2.836 20 5 FFBDHN C[C@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)N1CCCC[C@H]1C ZINC000445487275 514485668 /nfs/dbraw/zinc/48/56/68/514485668.db2.gz FAHIPHXKPPWZOB-HUUCEWRRSA-N 0 3 360.458 2.925 20 5 FFBDHN Cc1cc([C@@H](C)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000453079966 514538641 /nfs/dbraw/zinc/53/86/41/514538641.db2.gz HJBVTNAEQKBIKI-GFCCVEGCSA-N 0 3 369.468 2.594 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCCN2CCCC[C@@H]2C)cc1C ZINC000497734047 514614282 /nfs/dbraw/zinc/61/42/82/514614282.db2.gz LXZQHCMTPXFVRJ-HNNXBMFYSA-N 0 3 369.487 2.754 20 5 FFBDHN CCOc1cc(N2CCN(C[C@H]3CCO[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000475513900 514697531 /nfs/dbraw/zinc/69/75/31/514697531.db2.gz VWGZLEIXQJSSRF-CVEARBPZSA-N 0 3 363.458 2.931 20 5 FFBDHN COc1cnccc1N1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000475619607 514736808 /nfs/dbraw/zinc/73/68/08/514736808.db2.gz DHVUDNKVQCXYDZ-GQCTYLIASA-N 0 3 354.410 2.834 20 5 FFBDHN CC[C@@H]1CCCCN1CCNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000502809317 514786941 /nfs/dbraw/zinc/78/69/41/514786941.db2.gz CFAFJQZIVKEMDS-OAHLLOKOSA-N 0 3 364.446 2.667 20 5 FFBDHN Cn1cnc([N+](=O)[O-])c1CN[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000503194242 514951898 /nfs/dbraw/zinc/95/18/98/514951898.db2.gz WBNADXRVWHURFX-GOSISDBHSA-N 0 3 371.485 2.891 20 5 FFBDHN O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000485363682 515010804 /nfs/dbraw/zinc/01/08/04/515010804.db2.gz QJARGUOMZZANGV-UHFFFAOYSA-N 0 3 370.409 2.976 20 5 FFBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H]2CCC[C@H]2OC(F)F)c([N+](=O)[O-])c1 ZINC000503525677 515071481 /nfs/dbraw/zinc/07/14/81/515071481.db2.gz JDSAGZHJZYGBOF-MRCXROJRSA-N 0 3 373.356 2.680 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)CCN(C(C)C)C(C)C ZINC000503999124 515192206 /nfs/dbraw/zinc/19/22/06/515192206.db2.gz IXMLCHOHKLEJOF-UHFFFAOYSA-N 0 3 357.476 2.643 20 5 FFBDHN CC(C)N(CCN(C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-])C(C)C ZINC000503999840 515194460 /nfs/dbraw/zinc/19/44/60/515194460.db2.gz LYYVXJWQRUYWEQ-UHFFFAOYSA-N 0 3 371.503 2.518 20 5 FFBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000499250133 515255983 /nfs/dbraw/zinc/25/59/83/515255983.db2.gz MZUBAAFODIXCRZ-UHFFFAOYSA-N 0 3 350.806 2.780 20 5 FFBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1c2c(nn1C)CCCC2 ZINC000462817289 515256813 /nfs/dbraw/zinc/25/68/13/515256813.db2.gz NJIKBGPDXMNYBI-ZDUSSCGKSA-N 0 3 371.441 2.714 20 5 FFBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000468479139 515378056 /nfs/dbraw/zinc/37/80/56/515378056.db2.gz MCOOTAHFRXMNQK-OAHLLOKOSA-N 0 3 351.472 2.924 20 5 FFBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000468484708 515380693 /nfs/dbraw/zinc/38/06/93/515380693.db2.gz UXDCMMUKQWKNID-INIZCTEOSA-N 0 3 356.426 2.993 20 5 FFBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)CCS(C)(=O)=O ZINC000504900186 515405033 /nfs/dbraw/zinc/40/50/33/515405033.db2.gz STRFHICRCOSIQX-QWHCGFSZSA-N 0 3 360.501 2.878 20 5 FFBDHN CC(C)(CN1CCCC1)NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000457051836 515609362 /nfs/dbraw/zinc/60/93/62/515609362.db2.gz AMKNGBMIYCQQNZ-UHFFFAOYSA-N 0 3 357.414 2.589 20 5 FFBDHN CC(C)N1CC[C@H](N(C)C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000457090282 515641454 /nfs/dbraw/zinc/64/14/54/515641454.db2.gz LXPWSOODHUSGTN-HNNXBMFYSA-N 0 3 357.414 2.540 20 5 FFBDHN COc1cccc(CN(CCn2ccc([N+](=O)[O-])n2)C2CCC(O)CC2)c1 ZINC000478031314 515674682 /nfs/dbraw/zinc/67/46/82/515674682.db2.gz GKEOPWJGJUOOAK-UHFFFAOYSA-N 0 3 374.441 2.606 20 5 FFBDHN Cc1ccc(C)c(S(=O)(=O)NCCCN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000478171679 515725370 /nfs/dbraw/zinc/72/53/70/515725370.db2.gz IOMHPQFVHKKRND-UHFFFAOYSA-N 0 3 369.487 2.612 20 5 FFBDHN C[C@@H]1CCCN(c2ccc(C(=O)NC(C)(C)CN(C)C)cc2[N+](=O)[O-])C1 ZINC000457223693 515735872 /nfs/dbraw/zinc/73/58/72/515735872.db2.gz PXTBEQRJAKRBIX-CQSZACIVSA-N 0 3 362.474 2.901 20 5 FFBDHN CCN1CCN(CCCNc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000478242616 515749906 /nfs/dbraw/zinc/74/99/06/515749906.db2.gz YIEAHYYVCOGNHF-UHFFFAOYSA-N 0 3 371.279 2.797 20 5 FFBDHN CN1C[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000478533687 515861558 /nfs/dbraw/zinc/86/15/58/515861558.db2.gz GKIMNYZCISDFSD-AEFFLSMTSA-N 0 3 368.437 2.611 20 5 FFBDHN CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2cc([N+](=O)[O-])n[n-]2)c1 ZINC000506631399 515937172 /nfs/dbraw/zinc/93/71/72/515937172.db2.gz IAIWXTVKKNGJQC-UHFFFAOYSA-N 0 3 354.370 2.938 20 5 FFBDHN COC(=O)COc1ccc(CNCCc2ccccc2F)cc1[N+](=O)[O-] ZINC000474351897 516006316 /nfs/dbraw/zinc/00/63/16/516006316.db2.gz SDHIRGGXFUQKRC-UHFFFAOYSA-N 0 3 362.357 2.618 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000487925642 516034683 /nfs/dbraw/zinc/03/46/83/516034683.db2.gz WVQYQZZDGFOOKU-ABAIWWIYSA-N 0 3 366.849 2.573 20 5 FFBDHN CNC(=O)C[C@@H](NCCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000483414790 516077368 /nfs/dbraw/zinc/07/73/68/516077368.db2.gz IHIRWLSMNHDXNY-GOSISDBHSA-N 0 3 357.410 2.831 20 5 FFBDHN CC(C)[C@H](C)NC(=O)C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000507317714 516170986 /nfs/dbraw/zinc/17/09/86/516170986.db2.gz PUQOLFJQPNYRTQ-HNNXBMFYSA-N 0 3 363.458 2.846 20 5 FFBDHN CNC(=O)c1ccc(N(C)[C@@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000474786228 516194801 /nfs/dbraw/zinc/19/48/01/516194801.db2.gz QNJHPJAKTRQTAR-QGZVFWFLSA-N 0 3 368.437 2.665 20 5 FFBDHN CCCC[C@@H](N)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000496221920 516245585 /nfs/dbraw/zinc/24/55/85/516245585.db2.gz LDAPKNSYFWSUCL-LLVKDONJSA-N 0 3 362.352 2.659 20 5 FFBDHN C[C@@H]1C[C@@H]1N1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488714512 516292153 /nfs/dbraw/zinc/29/21/53/516292153.db2.gz NCEXXZOOIOFYEJ-LBTNJELSSA-N 0 3 372.469 2.654 20 5 FFBDHN Cc1cc(OCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000561015894 516339521 /nfs/dbraw/zinc/33/95/21/516339521.db2.gz OTVSPINKXJYZFI-KRWDZBQOSA-N 0 3 369.421 2.673 20 5 FFBDHN COC(=O)c1cc(C)nc(N[C@H]2CCN(C)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000557639667 516354090 /nfs/dbraw/zinc/35/40/90/516354090.db2.gz SBFBJSLDKKPBOG-JKSUJKDBSA-N 0 3 370.409 2.942 20 5 FFBDHN COc1ccc(-c2ccc(CN[C@@H](C)Cn3cncn3)o2)c([N+](=O)[O-])c1 ZINC000517550049 516359172 /nfs/dbraw/zinc/35/91/72/516359172.db2.gz OXMATGORWBWMSO-LBPRGKRZSA-N 0 3 357.370 2.633 20 5 FFBDHN C[C@H](N[C@@H]1CCN(C)[C@@H]1c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000550678859 516379434 /nfs/dbraw/zinc/37/94/34/516379434.db2.gz WPNORCQKDHCOHC-GDIGMMSISA-N 0 3 368.437 2.957 20 5 FFBDHN CN1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@@H]1Cc1ccccc1 ZINC000557741357 516413847 /nfs/dbraw/zinc/41/38/47/516413847.db2.gz DLRZQEBZCBRDFN-AWEZNQCLSA-N 0 3 369.450 2.963 20 5 FFBDHN CN(C)[C@]1(CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CCSC1 ZINC000535593754 516414568 /nfs/dbraw/zinc/41/45/68/516414568.db2.gz XRKDCFBNPTZPGS-SFHVURJKSA-N 0 3 358.467 2.928 20 5 FFBDHN Cc1cc(C)cc(OC[C@@H](O)CNCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000517925367 516494010 /nfs/dbraw/zinc/49/40/10/516494010.db2.gz HIJVMLIHPFCEOD-KRWDZBQOSA-N 0 3 360.410 2.620 20 5 FFBDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531629015 516562127 /nfs/dbraw/zinc/56/21/27/516562127.db2.gz JSLUGQABWVWFPW-KRWDZBQOSA-N 0 3 369.425 2.512 20 5 FFBDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531629016 516564288 /nfs/dbraw/zinc/56/42/88/516564288.db2.gz JSLUGQABWVWFPW-QGZVFWFLSA-N 0 3 369.425 2.512 20 5 FFBDHN Cc1ccc2nc(CN(C)CCc3cccc([N+](=O)[O-])c3)cc(=O)n2c1 ZINC000554846182 516661922 /nfs/dbraw/zinc/66/19/22/516661922.db2.gz MKWPYYYMNYHSLE-UHFFFAOYSA-N 0 3 352.394 2.586 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2N(C)CCCC2(C)C)c1 ZINC000540687079 516670369 /nfs/dbraw/zinc/67/03/69/516670369.db2.gz FIXBAPGCCAHOKN-QGZVFWFLSA-N 0 3 363.458 2.909 20 5 FFBDHN COCCN1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000536391302 516748167 /nfs/dbraw/zinc/74/81/67/516748167.db2.gz UHPNZZPYZMGKNQ-MRXNPFEDSA-N 0 3 356.426 2.601 20 5 FFBDHN CN1CC[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000548094766 516758916 /nfs/dbraw/zinc/75/89/16/516758916.db2.gz OJWUUYCITFPYDK-IEBWSBKVSA-N 0 3 368.437 2.882 20 5 FFBDHN Cc1cc(C(=O)NCC2(N(C)C)Cc3ccccc3C2)cc([N+](=O)[O-])c1 ZINC000524641430 516776691 /nfs/dbraw/zinc/77/66/91/516776691.db2.gz LEZFMLCRHCQEGP-UHFFFAOYSA-N 0 3 353.422 2.732 20 5 FFBDHN Cc1cc(NCCCN2CCN(c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000514213692 516905834 /nfs/dbraw/zinc/90/58/34/516905834.db2.gz HZJUAGJSSFSWCW-UHFFFAOYSA-N 0 3 355.442 2.922 20 5 FFBDHN CCN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000544848589 516958662 /nfs/dbraw/zinc/95/86/62/516958662.db2.gz FQSGKRAFWBTGOH-MRXNPFEDSA-N 0 3 356.426 2.670 20 5 FFBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000525554725 517074580 /nfs/dbraw/zinc/07/45/80/517074580.db2.gz PEUUTBNRAOYPTK-BLLLJJGKSA-N 0 3 362.455 2.808 20 5 FFBDHN Cc1c(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)cccc1[N+](=O)[O-] ZINC000552198734 517134696 /nfs/dbraw/zinc/13/46/96/517134696.db2.gz DRKDVVWUBQJDKG-INIZCTEOSA-N 0 3 355.394 2.722 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCC[C@H](C3CC3)C2)cc1 ZINC000541737683 517193027 /nfs/dbraw/zinc/19/30/27/517193027.db2.gz ALTZPXIZOVHWFK-LSDHHAIUSA-N 0 3 352.456 2.927 20 5 FFBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@](C)(O)CN(C)C ZINC000537503820 517210980 /nfs/dbraw/zinc/21/09/80/517210980.db2.gz RAXSBWZCBWMOFI-QGZVFWFLSA-N 0 3 369.487 2.529 20 5 FFBDHN COc1cc(CN[C@@H]2CCC[C@]2(C)CO)c([N+](=O)[O-])cc1OC(F)F ZINC000515392897 517333096 /nfs/dbraw/zinc/33/30/96/517333096.db2.gz DOXYKIWCIIKPFF-GDBMZVCRSA-N 0 3 360.357 2.846 20 5 FFBDHN COc1cc(CN[C@@H]2CCC[C@@]2(C)CO)c([N+](=O)[O-])cc1OC(F)F ZINC000515392900 517333688 /nfs/dbraw/zinc/33/36/88/517333688.db2.gz DOXYKIWCIIKPFF-ZBFHGGJFSA-N 0 3 360.357 2.846 20 5 FFBDHN COc1ccc(NC(=O)NCc2ccc(CN(C)C)cc2)cc1[N+](=O)[O-] ZINC000542035078 517349630 /nfs/dbraw/zinc/34/96/30/517349630.db2.gz SFJKMFCLCHUNFF-UHFFFAOYSA-N 0 3 358.398 2.987 20 5 FFBDHN CN(C)C(=O)C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000552913628 517441077 /nfs/dbraw/zinc/44/10/77/517441077.db2.gz OTVGODSUUAROKH-GOSISDBHSA-N 0 3 357.410 2.783 20 5 FFBDHN COc1ccc2c(c1)CCCN(C[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000542279880 517482343 /nfs/dbraw/zinc/48/23/43/517482343.db2.gz QDAYJDITHJLBBI-KRWDZBQOSA-N 0 3 372.421 2.792 20 5 FFBDHN CCCN(CCN1CCCCC1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000553157105 517547380 /nfs/dbraw/zinc/54/73/80/517547380.db2.gz OQXYKZMSNIKSOW-UHFFFAOYSA-N 0 3 363.414 2.662 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1-c1nc(-c2ccccc2OCCN(C)C)no1 ZINC000546403804 517666884 /nfs/dbraw/zinc/66/68/84/517666884.db2.gz BCSRNHTWVVISFO-UHFFFAOYSA-N 0 3 369.381 2.956 20 5 FFBDHN COc1cc(CNC[C@@]2(O)CCC[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000556958064 517774777 /nfs/dbraw/zinc/77/47/77/517774777.db2.gz CAGVBDKRAXSXJI-DIFFPNOSSA-N 0 3 374.384 2.888 20 5 FFBDHN C[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000553867777 517942747 /nfs/dbraw/zinc/94/27/47/517942747.db2.gz XBJUPRZPEYIFQP-HNNXBMFYSA-N 0 3 360.458 2.730 20 5 FFBDHN COCCSc1ccc([C@H](C)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000539306385 517985364 /nfs/dbraw/zinc/98/53/64/517985364.db2.gz WSFSNQBYTUAUQZ-ZDUSSCGKSA-N 0 3 350.444 2.881 20 5 FFBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000522386956 518093855 /nfs/dbraw/zinc/09/38/55/518093855.db2.gz QKRGINYGRBIKTN-CHWSQXEVSA-N 0 3 369.849 2.816 20 5 FFBDHN Cc1cccc(C)c1OCCNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566968222 518290663 /nfs/dbraw/zinc/29/06/63/518290663.db2.gz JFYKTTGBZMHNRV-MRXNPFEDSA-N 0 3 360.410 2.620 20 5 FFBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000584547548 518393593 /nfs/dbraw/zinc/39/35/93/518393593.db2.gz HGLQJOMBIQMINR-PRXAMGSTSA-N 0 3 367.396 2.604 20 5 FFBDHN CC(C)[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1(CO)CCC1 ZINC000570062612 518424671 /nfs/dbraw/zinc/42/46/71/518424671.db2.gz QLGGCIADKDICIF-MRXNPFEDSA-N 0 3 369.849 2.964 20 5 FFBDHN CN1CC[C@@H]2OCCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)[C@@H]2C1 ZINC000585783658 518596132 /nfs/dbraw/zinc/59/61/32/518596132.db2.gz ZLUVLQCGSKGCCF-SJORKVTESA-N 0 3 354.410 2.566 20 5 FFBDHN O=C(NC[C@@H]1CCCCN1C1CC1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000579419902 518669128 /nfs/dbraw/zinc/66/91/28/518669128.db2.gz WPRSTNTUHCPZLQ-KRWDZBQOSA-N 0 3 374.441 2.516 20 5 FFBDHN CC(C)Oc1nc(NC[C@@H](c2cccs2)N(C)C)ccc1[N+](=O)[O-] ZINC000579613966 518766350 /nfs/dbraw/zinc/76/63/50/518766350.db2.gz KQJVOIHMLVOAPU-ZDUSSCGKSA-N 0 3 350.444 2.975 20 5 FFBDHN CCCN(CC)C[C@@H](C)NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000570888239 518826166 /nfs/dbraw/zinc/82/61/66/518826166.db2.gz FKJJSBVEUZHZOE-CQSZACIVSA-N 0 3 357.476 2.610 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000568010484 518830299 /nfs/dbraw/zinc/83/02/99/518830299.db2.gz IBDHIOYRNLBWRX-LJQANCHMSA-N 0 3 354.410 2.693 20 5 FFBDHN O=[N+]([O-])c1cc(Br)ccc1N[C@H](CO)CN1CCCCC1 ZINC000589101230 518915354 /nfs/dbraw/zinc/91/53/54/518915354.db2.gz IUMMNUSZJZLTIQ-LBPRGKRZSA-N 0 3 358.236 2.616 20 5 FFBDHN CCN(CC)[C@@H](CNc1nc(C(=O)OC)ccc1[N+](=O)[O-])c1ccco1 ZINC000582803072 518929680 /nfs/dbraw/zinc/92/96/80/518929680.db2.gz SNDCQRXTGFHMMJ-AWEZNQCLSA-N 0 3 362.386 2.864 20 5 FFBDHN Cc1csc([C@H](C)CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000571159389 518955160 /nfs/dbraw/zinc/95/51/60/518955160.db2.gz JORLQGJWHCZOMJ-LLVKDONJSA-N 0 3 369.468 2.527 20 5 FFBDHN CCCN(CCN1CCCC1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000565497341 518984946 /nfs/dbraw/zinc/98/49/46/518984946.db2.gz ODSBNJMISDNTBL-UHFFFAOYSA-N 0 3 358.442 2.884 20 5 FFBDHN CCc1ccc([C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)N(CC)CC)cc1 ZINC000580109965 519012177 /nfs/dbraw/zinc/01/21/77/519012177.db2.gz CSBKCMNFSMVQOE-SFHVURJKSA-N 0 3 373.457 2.553 20 5 FFBDHN CSC1(CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CCN(C)CC1 ZINC000589476624 519013523 /nfs/dbraw/zinc/01/35/23/519013523.db2.gz IMQOACFYLAVAHU-GFCCVEGCSA-N 0 3 369.462 2.781 20 5 FFBDHN C[C@@H](C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000577338970 519028505 /nfs/dbraw/zinc/02/85/05/519028505.db2.gz FKVNDYPICYXYEN-AUUYWEPGSA-N 0 3 369.421 2.904 20 5 FFBDHN CN(C)C[C@H]1CCCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000568472660 519053207 /nfs/dbraw/zinc/05/32/07/519053207.db2.gz QZVYNCBSLIZBGI-OAHLLOKOSA-N 0 3 357.414 2.541 20 5 FFBDHN CSc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)N(C)C)cc1 ZINC000580239180 519075057 /nfs/dbraw/zinc/07/50/57/519075057.db2.gz ACBBJYVVDNSWHG-MRXNPFEDSA-N 0 3 360.439 2.744 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2CCSc3ccc(Cl)cc32)c1 ZINC000580277023 519091927 /nfs/dbraw/zinc/09/19/27/519091927.db2.gz NIPNCDPJKPLNGE-TZMCWYRMSA-N 0 3 368.846 2.632 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H]2CCSc3ccc(Cl)cc32)c1 ZINC000580277021 519092444 /nfs/dbraw/zinc/09/24/44/519092444.db2.gz NIPNCDPJKPLNGE-JSGCOSHPSA-N 0 3 368.846 2.632 20 5 FFBDHN C[C@@H](C(=O)NCc1cccc(OCCN(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000574506068 519187912 /nfs/dbraw/zinc/18/79/12/519187912.db2.gz SKKFPRPAJUWJSC-OAHLLOKOSA-N 0 3 371.437 2.955 20 5 FFBDHN CSCc1cccc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000574513611 519191180 /nfs/dbraw/zinc/19/11/80/519191180.db2.gz ZDGLNVHWBQSKFK-MRXNPFEDSA-N 0 3 362.451 2.987 20 5 FFBDHN CN(C)C[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000571912218 519343926 /nfs/dbraw/zinc/34/39/26/519343926.db2.gz HMQOGIPGZJWLID-MRXNPFEDSA-N 0 3 374.416 2.589 20 5 FFBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000594417588 519954858 /nfs/dbraw/zinc/95/48/58/519954858.db2.gz CCRYPJQOOHITKG-CRAIPNDOSA-N 0 3 369.425 2.732 20 5 FFBDHN COc1cc(CN(C)Cc2cn[nH]c2C)c([N+](=O)[O-])cc1OC(F)F ZINC000602939247 519982610 /nfs/dbraw/zinc/98/26/10/519982610.db2.gz UQZKSCFANAENDT-UHFFFAOYSA-N 0 3 356.329 2.868 20 5 FFBDHN Cn1c(CCN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)nc2ccccc21 ZINC000602963045 519995103 /nfs/dbraw/zinc/99/51/03/519995103.db2.gz SDPMYYGOSVCCCA-LJQANCHMSA-N 0 3 354.410 2.521 20 5 FFBDHN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC(N2CCCOCC2)CC1 ZINC000600007436 519997991 /nfs/dbraw/zinc/99/79/91/519997991.db2.gz RBFYGKJGQCKDSZ-UHFFFAOYSA-N 0 3 373.409 2.668 20 5 FFBDHN C[C@@H](C(=O)N1CCCN(c2ccncc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000603085006 520069852 /nfs/dbraw/zinc/06/98/52/520069852.db2.gz ZGOKWRVXODQLQN-OAHLLOKOSA-N 0 3 354.410 2.832 20 5 FFBDHN CC[C@H]1CN(C)CCCN1C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000597606072 520132137 /nfs/dbraw/zinc/13/21/37/520132137.db2.gz UGJOWSRXPGSRPW-JSGCOSHPSA-N 0 3 369.849 2.958 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000594854664 520190038 /nfs/dbraw/zinc/19/00/38/520190038.db2.gz VEACCJWGDYKADT-CQSZACIVSA-N 0 3 367.471 2.589 20 5 FFBDHN O=C(NCc1ccccc1)[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000592153437 520228099 /nfs/dbraw/zinc/22/80/99/520228099.db2.gz ARNIILOSPHYCJQ-KRWDZBQOSA-N 0 3 369.421 2.612 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](CO)[C@H]1CCC[C@H](OC)C1 ZINC000595061408 520274146 /nfs/dbraw/zinc/27/41/46/520274146.db2.gz KTWDIADVLYUMQW-GZIXRCOHSA-N 0 3 352.431 2.820 20 5 FFBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CCN1C1CCCC1 ZINC000600470115 520279910 /nfs/dbraw/zinc/27/99/10/520279910.db2.gz FWDZYYFLWVVQFO-OAHLLOKOSA-N 0 3 351.834 2.924 20 5 FFBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@@H]1CCN1C1CCCC1 ZINC000600473179 520281408 /nfs/dbraw/zinc/28/14/08/520281408.db2.gz SQBXKZJYFYGHMD-INIZCTEOSA-N 0 3 356.426 2.752 20 5 FFBDHN O=C1N(CCN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@@H]2CCCCN12 ZINC000595102114 520294960 /nfs/dbraw/zinc/29/49/60/520294960.db2.gz JUAWXRAKGVASRS-FUHWJXTLSA-N 0 3 358.442 2.852 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000617353048 520449122 /nfs/dbraw/zinc/44/91/22/520449122.db2.gz MYHLSYZSOBWGQL-QGZVFWFLSA-N 0 3 369.421 2.950 20 5 FFBDHN CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])[n-]1)[N@@H+]1CCc2ccccc2C1 ZINC000604096876 520449832 /nfs/dbraw/zinc/44/98/32/520449832.db2.gz DMPMKDYHDXHKNA-KRWDZBQOSA-N 0 3 356.426 2.736 20 5 FFBDHN CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])[n-]1)[N@H+]1CCc2ccccc2C1 ZINC000604096876 520449838 /nfs/dbraw/zinc/44/98/38/520449838.db2.gz DMPMKDYHDXHKNA-KRWDZBQOSA-N 0 3 356.426 2.736 20 5 FFBDHN CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)N1CCc2ccccc2C1 ZINC000604096876 520449844 /nfs/dbraw/zinc/44/98/44/520449844.db2.gz DMPMKDYHDXHKNA-KRWDZBQOSA-N 0 3 356.426 2.736 20 5 FFBDHN CC(C)(CO)[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000595501062 520512712 /nfs/dbraw/zinc/51/27/12/520512712.db2.gz RKVSQBDCUINQLW-GOSISDBHSA-N 0 3 372.425 2.668 20 5 FFBDHN O=[N+]([O-])c1cnn(CCN2CCC(Cc3nc4ccccc4[nH]3)CC2)c1 ZINC000595551825 520546889 /nfs/dbraw/zinc/54/68/89/520546889.db2.gz LFMKZGMZOCMZLH-UHFFFAOYSA-N 0 3 354.414 2.622 20 5 FFBDHN CCCN1CC[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000598341907 520565006 /nfs/dbraw/zinc/56/50/06/520565006.db2.gz IBHOSPCMAISJDK-LBPRGKRZSA-N 0 3 356.220 2.571 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000610208560 520579700 /nfs/dbraw/zinc/57/97/00/520579700.db2.gz DQOOPSABZHCSHF-AAEUAGOBSA-N 0 3 355.822 2.616 20 5 FFBDHN COC(=O)c1ccnc(N[C@H]2CN(Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000598614583 520743371 /nfs/dbraw/zinc/74/33/71/520743371.db2.gz LTOAOYBEIWCOPI-CJNGLKHVSA-N 0 3 370.409 2.709 20 5 FFBDHN CN(c1ccccc1)[C@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000595825708 520749880 /nfs/dbraw/zinc/74/98/80/520749880.db2.gz FVCQERGXTLSCMK-RBUKOAKNSA-N 0 3 371.437 2.545 20 5 FFBDHN COC(=O)c1ccnc(N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000598627703 520751378 /nfs/dbraw/zinc/75/13/78/520751378.db2.gz XQUMAXHIDPYDHV-CZUORRHYSA-N 0 3 370.409 2.851 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2cnccc2C(F)(F)F)c1 ZINC000596070898 520894316 /nfs/dbraw/zinc/89/43/16/520894316.db2.gz UXKYJUUAKQBMEC-ZDUSSCGKSA-N 0 3 371.315 2.538 20 5 FFBDHN COCCN1CCC(Nc2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)CC1 ZINC000596089926 520906787 /nfs/dbraw/zinc/90/67/87/520906787.db2.gz MLQVNMAPQNOIFS-UHFFFAOYSA-N 0 3 371.821 2.558 20 5 FFBDHN COc1cc(N[C@@H]2CCN(C3CCN(C)CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596124311 520927750 /nfs/dbraw/zinc/92/77/50/520927750.db2.gz VHDOUZRMXUIRQV-GFCCVEGCSA-N 0 3 368.865 2.837 20 5 FFBDHN O=[N+]([O-])c1ccc(CNCC2(OCCO)CCC(F)(F)CC2)c(F)c1 ZINC000598993333 520966281 /nfs/dbraw/zinc/96/62/81/520966281.db2.gz KQCTVSSMCDBYAA-UHFFFAOYSA-N 0 3 362.348 2.781 20 5 FFBDHN O=[N+]([O-])c1cc(CN[C@@H]2CCOC[C@H]2O)ccc1Oc1ccc(F)cc1 ZINC000599012780 520979363 /nfs/dbraw/zinc/97/93/63/520979363.db2.gz WAANMSBPEZDRIR-NVXWUHKLSA-N 0 3 362.357 2.766 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC000599085201 521023135 /nfs/dbraw/zinc/02/31/35/521023135.db2.gz XHZZLFQNVKFWJQ-POHZPAGDSA-N 0 3 359.382 2.885 20 5 FFBDHN COCCN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(C)cc1C ZINC000611185041 521028994 /nfs/dbraw/zinc/02/89/94/521028994.db2.gz QTZZYDQRFRSQFZ-UHFFFAOYSA-N 0 3 359.426 2.522 20 5 FFBDHN CCN(C[C@H]1CCOC1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000611205371 521036875 /nfs/dbraw/zinc/03/68/75/521036875.db2.gz YHHNUCXOBQGPBK-VXGBXAGGSA-N 0 3 355.822 2.934 20 5 FFBDHN CCN(CC)Cc1ccc(-c2nc(-c3c([N+](=O)[O-])nc(C)n3C)no2)o1 ZINC000618423886 521061460 /nfs/dbraw/zinc/06/14/60/521061460.db2.gz JWHINSGITLEGBX-UHFFFAOYSA-N 0 3 360.374 2.789 20 5 FFBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000618467813 521082058 /nfs/dbraw/zinc/08/20/58/521082058.db2.gz FJLLPQRCCGEPTO-AWEZNQCLSA-N 0 3 367.833 2.540 20 5 FFBDHN Cc1ccc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000596620722 521169935 /nfs/dbraw/zinc/16/99/35/521169935.db2.gz PWRNXDJLGRSFQU-NWDGAFQWSA-N 0 3 362.304 2.826 20 5 FFBDHN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCN(CC2CC2)C1 ZINC000611512578 521193943 /nfs/dbraw/zinc/19/39/43/521193943.db2.gz HYBCRFQEDNDHCB-HNNXBMFYSA-N 0 3 366.849 2.574 20 5 FFBDHN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccnc(OCCN(C)C)c1 ZINC000602241975 521232553 /nfs/dbraw/zinc/23/25/53/521232553.db2.gz NBSRWZFKQZEXBM-ZDUSSCGKSA-N 0 3 370.409 2.522 20 5 FFBDHN CC[C@H](CN1CCCC1)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000611645121 521262662 /nfs/dbraw/zinc/26/26/62/521262662.db2.gz WSRWJQINCRSNST-GFCCVEGCSA-N 0 3 357.357 2.800 20 5 FFBDHN CN(C)CCOc1cc(C(=O)N2CCCc3c([N+](=O)[O-])cccc32)ccn1 ZINC000602294695 521264182 /nfs/dbraw/zinc/26/41/82/521264182.db2.gz RSDNGAALAYPDFU-UHFFFAOYSA-N 0 3 370.409 2.523 20 5 FFBDHN CC(C)[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCN1Cc1ccccc1 ZINC000599548065 521288658 /nfs/dbraw/zinc/28/86/58/521288658.db2.gz ALOVAEPCEKLEST-GOSISDBHSA-N 0 3 357.458 2.634 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])CCN1C ZINC000599576167 521308950 /nfs/dbraw/zinc/30/89/50/521308950.db2.gz KFDHMAMJDJGIBN-VHSXEESVSA-N 0 3 356.220 2.570 20 5 FFBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CC[C@H](CN2CCOCC2)C1 ZINC000602474184 521366557 /nfs/dbraw/zinc/36/65/57/521366557.db2.gz ITBGCFHEKCPFKH-CYBMUJFWSA-N 0 3 373.375 2.768 20 5 FFBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CCN(C[C@H]2CCOC2)CC1 ZINC000602485285 521372516 /nfs/dbraw/zinc/37/25/16/521372516.db2.gz XIDREEGPSJAOMQ-CYBMUJFWSA-N 0 3 373.375 2.768 20 5 FFBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000594199246 521464881 /nfs/dbraw/zinc/46/48/81/521464881.db2.gz IHWVGXQXVXBBLG-WBVHZDCISA-N 0 3 358.442 2.916 20 5 FFBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000594198712 521465303 /nfs/dbraw/zinc/46/53/03/521465303.db2.gz VFPGQRSUYZPBKF-GDBMZVCRSA-N 0 3 369.425 2.527 20 5 FFBDHN C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)C1=CCN(C)CC1 ZINC000599832639 521500765 /nfs/dbraw/zinc/50/07/65/521500765.db2.gz GYBWFFLOKSAAQI-LBPRGKRZSA-N 0 3 355.398 2.915 20 5 FFBDHN C[C@@H]1CCCCN1CCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597095632 521501712 /nfs/dbraw/zinc/50/17/12/521501712.db2.gz YNAGTOVIENTCMX-SNVBAGLBSA-N 0 3 355.826 2.826 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000602799642 521540321 /nfs/dbraw/zinc/54/03/21/521540321.db2.gz CAOOYVCVHBYEEI-UHFFFAOYSA-N 0 3 372.351 2.652 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(c2ncc3n2CCCC3)CC1 ZINC000602819444 521551954 /nfs/dbraw/zinc/55/19/54/521551954.db2.gz BTJQXRCNXVGHPP-UHFFFAOYSA-N 0 3 358.446 2.512 20 5 FFBDHN CCOC(=O)[C@@]1(C)CCC[C@H]1NCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000597241605 521592655 /nfs/dbraw/zinc/59/26/55/521592655.db2.gz UJZDPXKSQFEMID-AEFFLSMTSA-N 0 3 366.414 2.824 20 5 FFBDHN CCOC(=O)[C@@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000026218839 535521253 /nfs/dbraw/zinc/52/12/53/535521253.db2.gz RNGDCILWTUHWSD-CQSZACIVSA-N 0 3 363.414 2.507 20 5 FFBDHN C[C@@H](NC(=O)N=c1ccn(C2CCN(C)CC2)[nH]1)c1ccccc1[N+](=O)[O-] ZINC000491258963 561444286 /nfs/dbraw/zinc/44/42/86/561444286.db2.gz MYSAKWZKSRNREJ-CYBMUJFWSA-N 0 3 372.429 2.941 20 5 FFBDHN O=[N+]([O-])c1ccc(NC2CCC([NH+]3CCCCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000823640058 606200923 /nfs/dbraw/zinc/20/09/23/606200923.db2.gz QQOSJBULWWYVGI-UHFFFAOYSA-N 0 3 371.445 2.984 20 5 FFBDHN O=[N+]([O-])c1ccc(NC2CCC([NH+]3CCCCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000823640058 606200925 /nfs/dbraw/zinc/20/09/25/606200925.db2.gz QQOSJBULWWYVGI-UHFFFAOYSA-N 0 3 371.445 2.984 20 5 FFBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@H](O)c3ccc(Cl)cc3)C2)nc1 ZINC000245441997 729569983 /nfs/dbraw/zinc/56/99/83/729569983.db2.gz HSMKHPHUIUAFNR-ZBFHGGJFSA-N 0 3 362.817 2.863 20 5 FFBDHN CCO[C@H]1COCC[C@H]1NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000759172971 736552773 /nfs/dbraw/zinc/55/27/73/736552773.db2.gz KRRQKJDJVRBZFK-OCCSQVGLSA-N 0 3 359.220 2.641 20 5 FFBDHN CN(C)CCN(Cc1ccccn1)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000859265978 730447795 /nfs/dbraw/zinc/44/77/95/730447795.db2.gz USEFNXCGOVEOKX-UHFFFAOYSA-N 0 3 362.817 2.847 20 5 FFBDHN COc1ccc(NC(=O)CCN[C@H](C)c2ccns2)c([N+](=O)[O-])c1 ZINC000860055313 730474545 /nfs/dbraw/zinc/47/45/45/730474545.db2.gz VADLXHNMTOKEKC-SNVBAGLBSA-N 0 3 350.400 2.739 20 5 FFBDHN CC([C@@H](OC(=O)Cn1ccc(C(F)F)n1)c1ccccc1F)[N+](=O)[O-] ZINC000860855265 730554194 /nfs/dbraw/zinc/55/41/94/730554194.db2.gz WDAGJEJYLIQNRI-LKFCYVNXSA-N 0 3 357.288 2.910 20 5 FFBDHN CC([C@@H](OC(=O)Cn1ccc(C(F)F)n1)c1ccccc1F)[N+](=O)[O-] ZINC000860855268 730554219 /nfs/dbraw/zinc/55/42/19/730554219.db2.gz WDAGJEJYLIQNRI-YMTOWFKASA-N 0 3 357.288 2.910 20 5 FFBDHN COCCO[C@@H]1COCC[C@H]1N[C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872063800 731725670 /nfs/dbraw/zinc/72/56/70/731725670.db2.gz SQTKBSMFDWDIGV-DAXOMENPSA-N 0 3 370.471 2.788 20 5 FFBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000874837190 732105783 /nfs/dbraw/zinc/10/57/83/732105783.db2.gz IZUFOJFYQPPDAK-STQMWFEESA-N 0 3 368.231 2.666 20 5 FFBDHN O=[N+]([O-])c1cnn(C2CC(NCc3nc(-c4ccncc4)cs3)C2)c1 ZINC000877807696 732437864 /nfs/dbraw/zinc/43/78/64/732437864.db2.gz FFUBWIAQQYMTLK-UHFFFAOYSA-N 0 3 356.411 2.803 20 5 FFBDHN C[C@@](CO)(NC[C@@H](O)c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000879272946 732676604 /nfs/dbraw/zinc/67/66/04/732676604.db2.gz FOUCORCMPRWESP-SJORKVTESA-N 0 3 350.802 2.779 20 5 FFBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000888288150 734032206 /nfs/dbraw/zinc/03/22/06/734032206.db2.gz CQBGLVFOVSDULT-NEPJUHHUSA-N 0 3 368.821 2.541 20 5 FFBDHN O=[N+]([O-])c1ccc(Cl)c(CN2CCC(CN3CCOCC3)CC2)c1 ZINC000735493582 734948339 /nfs/dbraw/zinc/94/83/39/734948339.db2.gz YOOBGZYBJQEVLV-UHFFFAOYSA-N 0 3 353.850 2.792 20 5 FFBDHN CN1CCC(NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC000895522973 735018682 /nfs/dbraw/zinc/01/86/82/735018682.db2.gz ZIUCZWJPZPBFNW-UHFFFAOYSA-N 0 3 350.177 2.865 20 5 FFBDHN CC1(N2CCC2)CCC(Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000896255824 735126408 /nfs/dbraw/zinc/12/64/08/735126408.db2.gz SNEAKUPYKAOGRJ-UHFFFAOYSA-N 0 3 373.500 2.879 20 5 FFBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000900043663 735593152 /nfs/dbraw/zinc/59/31/52/735593152.db2.gz XXPWSIQXLGVGCA-WDEREUQCSA-N 0 3 368.231 2.666 20 5 FFBDHN O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000749993770 735765709 /nfs/dbraw/zinc/76/57/09/735765709.db2.gz OEZDWPUAUKEJAJ-ZDUSSCGKSA-N 0 3 367.833 2.621 20 5 FFBDHN COc1cc([C@H](C)NC[C@@H]2CC[C@]3(CO[C@H](C)C3)O2)cc([N+](=O)[O-])c1 ZINC000903221758 736058318 /nfs/dbraw/zinc/05/83/18/736058318.db2.gz SRJJOMTTXOQILD-IHHFWDAISA-N 0 3 350.415 2.981 20 5 FFBDHN CCN1C[C@@H](C)N(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C ZINC000766253170 737212622 /nfs/dbraw/zinc/21/26/22/737212622.db2.gz JATYXDAGLZYRPN-VXGBXAGGSA-N 0 3 354.838 2.601 20 5 FFBDHN O=[N+]([O-])c1cccc(CNCC2(n3cc(Br)cn3)CC2)c1 ZINC000922804258 738203083 /nfs/dbraw/zinc/20/30/83/738203083.db2.gz WNFDPZDXMGXQGK-UHFFFAOYSA-N 0 3 351.204 2.833 20 5 FFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)C[C@@H]1C ZINC000778009120 738342146 /nfs/dbraw/zinc/34/21/46/738342146.db2.gz KTLWDFOOYKDJJA-STQMWFEESA-N 0 3 373.450 2.536 20 5 FFBDHN CCN(CC)CC(=O)N1CCN(c2c(C)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000788326431 739233382 /nfs/dbraw/zinc/23/33/82/739233382.db2.gz BWHQMICHNWAATO-UHFFFAOYSA-N 0 3 368.865 2.547 20 5 FFBDHN CN(C)Cc1ccc(S(=O)(=O)Oc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000790051349 739413119 /nfs/dbraw/zinc/41/31/19/739413119.db2.gz OWBGVZHLLNUKPI-UHFFFAOYSA-N 0 3 354.359 2.563 20 5 FFBDHN O=[N+]([O-])c1ccn(CCN2CCC(Cc3nc4c(s3)CCC4)CC2)n1 ZINC000932624715 739480666 /nfs/dbraw/zinc/48/06/66/739480666.db2.gz RKXSUFSYIMJRFD-UHFFFAOYSA-N 0 3 361.471 2.691 20 5 FFBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H]1CCOC12CCOCC2 ZINC000934407292 739783153 /nfs/dbraw/zinc/78/31/53/739783153.db2.gz ZRPXQRJOHVIWND-KRWDZBQOSA-N 0 3 350.415 2.810 20 5 FFBDHN CN(Cc1c(F)cccc1Cl)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985432295 741395448 /nfs/dbraw/zinc/39/54/48/741395448.db2.gz YVMPDNSKGQWTHK-MLGOLLRUSA-N 0 3 369.824 2.567 20 5 FFBDHN CC(COC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)[N+](=O)[O-] ZINC000813099695 741676810 /nfs/dbraw/zinc/67/68/10/741676810.db2.gz APLOBIYDENGPBL-MRVPVSSYSA-N 0 3 361.251 2.852 20 5 FFBDHN Cc1nc(C(=O)OCC(C)[N+](=O)[O-])nn1-c1c(Cl)cccc1Cl ZINC000813114116 741678869 /nfs/dbraw/zinc/67/88/69/741678869.db2.gz YYHOKTYCVJSJNN-SSDOTTSWSA-N 0 3 359.169 2.705 20 5 FFBDHN CC(C)N(Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@H]1CCC(=O)N1 ZINC000839670340 746887143 /nfs/dbraw/zinc/88/71/43/746887143.db2.gz UAKMGRGNVXVFIH-GFCCVEGCSA-N 0 3 370.247 2.846 20 5 FFBDHN CC([C@H](OC(=O)CN(C)[C@@H]1CCSC1)c1ccccc1F)[N+](=O)[O-] ZINC000845875553 748341948 /nfs/dbraw/zinc/34/19/48/748341948.db2.gz LQAYOUWIPYLYEG-HSMVNMDESA-N 0 3 356.419 2.513 20 5 FFBDHN CC([C@@H](OC(=O)CCCCc1c[nH]nn1)c1ccccc1F)[N+](=O)[O-] ZINC000845883529 748344943 /nfs/dbraw/zinc/34/49/43/748344943.db2.gz UMPBVOVKKPAETI-BDJLRTHQSA-N 0 3 350.350 2.606 20 5 FFBDHN Cn1nnc2c1CC[C@@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C2 ZINC000848926077 749035511 /nfs/dbraw/zinc/03/55/11/749035511.db2.gz KUTPMRZXTPDCCZ-SNVBAGLBSA-N 0 3 356.213 2.677 20 5 FFBDHN CCOc1ccc([C@@H](C)NCC[S@@](=O)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000850495384 749375754 /nfs/dbraw/zinc/37/57/54/749375754.db2.gz CQXSWUIHYOFJMZ-VKTRGTBVSA-N 0 3 368.377 2.955 20 5 FFBDHN O=[N+]([O-])c1cccc(Br)c1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000853240767 750036210 /nfs/dbraw/zinc/03/62/10/750036210.db2.gz FJDJOABGWCFMDB-MNOVXSKESA-N 0 3 356.220 2.632 20 5 FFBDHN C[C@H](C[N@H+](C)Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824414156 946698560 /nfs/dbraw/zinc/69/85/60/946698560.db2.gz VSSWUCYRHBDOIY-CYBMUJFWSA-N 0 3 367.413 2.707 20 5 FFBDHN C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824414156 946698566 /nfs/dbraw/zinc/69/85/66/946698566.db2.gz VSSWUCYRHBDOIY-CYBMUJFWSA-N 0 3 367.413 2.707 20 5 FFBDHN C[C@H](C[N@H+](C)Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824414156 946698577 /nfs/dbraw/zinc/69/85/77/946698577.db2.gz VSSWUCYRHBDOIY-CYBMUJFWSA-N 0 3 367.413 2.707 20 5 FFBDHN C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824414156 946698584 /nfs/dbraw/zinc/69/85/84/946698584.db2.gz VSSWUCYRHBDOIY-CYBMUJFWSA-N 0 3 367.413 2.707 20 5 FFBDHN CN(C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)[C@@H]1CCN(C2CC2)C1 ZINC000888922591 971401971 /nfs/dbraw/zinc/40/19/71/971401971.db2.gz CVJZIZOBXCZSFM-CQSZACIVSA-N 0 3 354.410 2.639 20 5 FFBDHN Cc1cccc(CN(CCN(C)C)C(=O)c2cc([N+](=O)[O-])cc(C)n2)c1 ZINC001125781396 968550616 /nfs/dbraw/zinc/55/06/16/968550616.db2.gz UREKQUIEJBXJTM-UHFFFAOYSA-N 0 3 356.426 2.811 20 5 FFBDHN Cc1ncccc1OC[C@H]1CCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000842173531 976710140 /nfs/dbraw/zinc/71/01/40/976710140.db2.gz RHNAKTPPVQLFDX-QZTJIDSGSA-N 0 3 357.410 2.875 20 5 FFBDHN COC(=O)Cc1ccc(N2CCN(C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000205254553 978462970 /nfs/dbraw/zinc/46/29/70/978462970.db2.gz FNZCKCSTLTXZFT-UHFFFAOYSA-N 0 3 361.442 2.765 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@@](CO)(Cc3ccccc3)C2)cc1 ZINC000812873997 995557511 /nfs/dbraw/zinc/55/75/11/995557511.db2.gz RQAZNMYHUNGVQI-LEWJYISDSA-N 0 3 370.449 2.945 20 5 FFBDHN CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813101535 995615156 /nfs/dbraw/zinc/61/51/56/995615156.db2.gz CZAARDBXEASCCE-KUHUBIRLSA-N 0 3 372.421 2.732 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000823981537 996772285 /nfs/dbraw/zinc/77/22/85/996772285.db2.gz ZLFFQTLOWCSMEM-BBRMVZONSA-N 0 3 369.425 2.962 20 5 FFBDHN O=C(N[C@H](CN1CCCC1)c1ccccc1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824616433 997015238 /nfs/dbraw/zinc/01/52/38/997015238.db2.gz VWGMXBDSGSKORX-RTBURBONSA-N 0 3 369.421 2.582 20 5 FFBDHN Cc1c(CO)cc([N+](=O)[O-])c(NCCN2[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000730806517 997496200 /nfs/dbraw/zinc/49/62/00/997496200.db2.gz RDVQPZQPDLZCMC-TXEJJXNPSA-N 0 3 366.418 2.979 20 5 FFBDHN Cc1c(CO)cc([N+](=O)[O-])c(NCCN2[C@@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000730806516 997496813 /nfs/dbraw/zinc/49/68/13/997496813.db2.gz RDVQPZQPDLZCMC-RYUDHWBXSA-N 0 3 366.418 2.979 20 5 FFBDHN CN(C)CCN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000743638077 999827538 /nfs/dbraw/zinc/82/75/38/999827538.db2.gz ZXDPHRIJZJNFSQ-UHFFFAOYSA-N 0 3 373.457 2.667 20 5 FFBDHN Nc1ccc(NCCCN2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000804346056 1000095990 /nfs/dbraw/zinc/09/59/90/1000095990.db2.gz HWGVYUREGIDLCN-UHFFFAOYSA-N 0 3 369.469 2.797 20 5 FFBDHN COC1CCN(C(C)(C)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC001147026747 1000815435 /nfs/dbraw/zinc/81/54/35/1000815435.db2.gz MBLUNHTZVLZFBR-UHFFFAOYSA-N 0 3 369.849 2.867 20 5 FFBDHN C/C(=C/C(=O)NC(C)(C)CCN1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000771663334 1001171756 /nfs/dbraw/zinc/17/17/56/1001171756.db2.gz MGZRWMQPFSSGET-NXVVXOECSA-N 0 3 374.485 2.530 20 5 FFBDHN COc1c(O)ccc(CNCC[C@H]2COc3ccccc3O2)c1[N+](=O)[O-] ZINC001182435088 1001867766 /nfs/dbraw/zinc/86/77/66/1001867766.db2.gz SWHQBLQFJXAONC-ZDUSSCGKSA-N 0 3 360.366 2.629 20 5 FFBDHN COc1c([O-])ccc(C[NH2+]CC[C@H]2COc3ccccc3O2)c1[N+](=O)[O-] ZINC001182435088 1001867778 /nfs/dbraw/zinc/86/77/78/1001867778.db2.gz SWHQBLQFJXAONC-ZDUSSCGKSA-N 0 3 360.366 2.629 20 5 FFBDHN CCOC(=O)c1ccnc(CN[C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001170307559 1003120097 /nfs/dbraw/zinc/12/00/97/1003120097.db2.gz HLQGWRQTXIDKJN-ZDUSSCGKSA-N 0 3 373.409 2.896 20 5 FFBDHN COC(=O)N1CCC(CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000804821757 1003863228 /nfs/dbraw/zinc/86/32/28/1003863228.db2.gz DFJIFTPTDHRSHT-UHFFFAOYSA-N 0 3 358.398 2.764 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@]1(C)CN2CCC1CC2 ZINC001130798608 1004478390 /nfs/dbraw/zinc/47/83/90/1004478390.db2.gz HOYHPPQLZSLMNC-GTNSWQLSSA-N 0 3 367.833 2.616 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3COC4(CCOCC4)O3)o2)cc1 ZINC001201676942 1005247957 /nfs/dbraw/zinc/24/79/57/1005247957.db2.gz VWGOMKURXPUWFA-KRWDZBQOSA-N 0 3 374.393 2.867 20 5 FFBDHN C[C@@H](NCc1ccc(N2CCCNC2=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850575751 1005823250 /nfs/dbraw/zinc/82/32/50/1005823250.db2.gz ZOBWLJKPVUWQNS-CYBMUJFWSA-N 0 3 369.425 2.948 20 5 FFBDHN COc1cc2c(cc1OC)CCN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000776577889 1005957051 /nfs/dbraw/zinc/95/70/51/1005957051.db2.gz ABPRVAFURNVOCY-GOSISDBHSA-N 0 3 372.421 2.746 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCN[C@H](c3ccc(O)cc3)C2)c2ccncc21 ZINC001187497151 1006117779 /nfs/dbraw/zinc/11/77/79/1006117779.db2.gz MDARDEOBIWUBCE-KRWDZBQOSA-N 0 3 350.378 3.000 20 5 FFBDHN CCN1CCN(c2ccc(Nc3ccc([N+](=O)[O-])c(C(N)=O)c3)cc2)CC1 ZINC000853091476 1006293387 /nfs/dbraw/zinc/29/33/87/1006293387.db2.gz KIZKAQPUOAEQEO-UHFFFAOYSA-N 0 3 369.425 2.579 20 5 FFBDHN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H]3CN(C)C[C@H]32)CC1 ZINC000816952852 1007275225 /nfs/dbraw/zinc/27/52/25/1007275225.db2.gz SVZIEHXBSJQYPX-HNAYVOBHSA-N 0 3 372.469 2.607 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000885880200 1007819242 /nfs/dbraw/zinc/81/92/42/1007819242.db2.gz ODIAPHIFMJJZJX-INIZCTEOSA-N 0 3 361.442 2.503 20 5 FFBDHN Cc1ccc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)c(O[C@H]2CCOC2)c1 ZINC000819153526 1008045519 /nfs/dbraw/zinc/04/55/19/1008045519.db2.gz HCRUHTNUSTXBAB-RBUKOAKNSA-N 0 3 372.421 2.894 20 5 FFBDHN COCCCn1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cn1 ZINC000860854662 1009177176 /nfs/dbraw/zinc/17/71/76/1009177176.db2.gz FRRJFIGCBJGTQP-MLGOLLRUSA-N 0 3 365.361 2.622 20 5 FFBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000862631807 1009910538 /nfs/dbraw/zinc/91/05/38/1009910538.db2.gz VTTPFVPFLPRDRA-MRXNPFEDSA-N 0 3 360.458 2.798 20 5 FFBDHN CN1CC[C@@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000867031704 1011926365 /nfs/dbraw/zinc/92/63/65/1011926365.db2.gz VRPFWCVPEUYINF-VQIMIIECSA-N 0 3 357.385 2.838 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@@H]2Cc3ccccc3NC2=O)c1F ZINC001173180009 1012324561 /nfs/dbraw/zinc/32/45/61/1012324561.db2.gz RYSYMEOIDBASPW-XHDPSFHLSA-N 0 3 373.384 2.827 20 5 FFBDHN COC(=O)CC[C@@H]1CCN([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173195487 1012337194 /nfs/dbraw/zinc/33/71/94/1012337194.db2.gz GTSNHUMKQJZTJC-QWHCGFSZSA-N 0 3 368.405 2.949 20 5 FFBDHN O=[N+]([O-])c1cccc([C@@H](O)CNC2(c3ccc4c(c3)OCCO4)CC2)c1 ZINC000933998873 1021126314 /nfs/dbraw/zinc/12/63/14/1021126314.db2.gz FCHVBPSFOQXSFL-INIZCTEOSA-N 0 3 356.378 2.678 20 5 FFBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@H](Cn2cccn2)c2ccccc2)c1 ZINC000750108488 1021356968 /nfs/dbraw/zinc/35/69/68/1021356968.db2.gz URCJJAJENPGQRI-MOPGFXCFSA-N 0 3 352.394 2.856 20 5 FFBDHN O=[N+]([O-])c1c2c(cc(Br)c1O[C@H]1CCNC[C@@H]1F)CCC2 ZINC001218071408 1032979582 /nfs/dbraw/zinc/97/95/82/1032979582.db2.gz PIDLFENLDMDATB-RYUDHWBXSA-N 0 3 359.195 2.925 20 5 FFBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000755192820 1023576581 /nfs/dbraw/zinc/57/65/81/1023576581.db2.gz PLYFOINKFGGMNP-VDUFWMCCSA-N 0 3 373.453 2.711 20 5 FFBDHN CN(CCOC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000837432752 1025800318 /nfs/dbraw/zinc/80/03/18/1025800318.db2.gz YJUJAHMFZZPYSV-UHFFFAOYSA-N 0 3 368.393 2.620 20 5 FFBDHN C[C@@H]1C[C@H](OC(=O)CCn2cc([N+](=O)[O-])cn2)CN(Cc2ccccc2)C1 ZINC000839093028 1026585984 /nfs/dbraw/zinc/58/59/84/1026585984.db2.gz XKQLRMFYCNTZQL-QAPCUYQASA-N 0 3 372.425 2.635 20 5 FFBDHN CCc1cc(Nc2ccc(CN)nc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001160406866 1027696526 /nfs/dbraw/zinc/69/65/26/1027696526.db2.gz XGAXVLLODMOGSZ-UHFFFAOYSA-N 0 3 350.382 2.633 20 5 FFBDHN CN1CCN(CCCNc2nc(-c3ccccc3)ccc2[N+](=O)[O-])CC1 ZINC001161703506 1028284636 /nfs/dbraw/zinc/28/46/36/1028284636.db2.gz HKJFHRUXCMZZCH-UHFFFAOYSA-N 0 3 355.442 2.706 20 5 FFBDHN C[C@@H](N)c1nc2ccccc2n1-c1ccc([N+](=O)[O-])c2c1CCN(C)C2 ZINC001162778391 1028653982 /nfs/dbraw/zinc/65/39/82/1028653982.db2.gz KTRZNHFDJDYQLM-GFCCVEGCSA-N 0 3 351.410 2.941 20 5 FFBDHN CCN(CC)CCNC(=N)Nc1ccc(-c2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC001163128629 1028814420 /nfs/dbraw/zinc/81/44/20/1028814420.db2.gz NYJDIEUZLRPPAJ-UHFFFAOYSA-N 0 3 371.445 2.638 20 5 FFBDHN CN(CCCN(C)c1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccncc1 ZINC001163643542 1029004330 /nfs/dbraw/zinc/00/43/30/1029004330.db2.gz UDHPFPDQDAFNQR-UHFFFAOYSA-N 0 3 354.414 2.824 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)c(F)cnc2N[C@H]1CCCC[C@@]12CNCCO2 ZINC001163645524 1029006031 /nfs/dbraw/zinc/00/60/31/1029006031.db2.gz XINSOPMIEZAARG-FUHWJXTLSA-N 0 3 360.389 2.995 20 5 FFBDHN COc1nc(NC[C@H](c2ccccc2)N2CCCC2)nc(OC)c1[N+](=O)[O-] ZINC001156531025 1029233308 /nfs/dbraw/zinc/23/33/08/1029233308.db2.gz LYIGPHKCZVIZPW-CQSZACIVSA-N 0 3 373.413 2.651 20 5 FFBDHN O=[N+]([O-])c1cnc(Cl)nc1N1C[C@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC001165086697 1029376217 /nfs/dbraw/zinc/37/62/17/1029376217.db2.gz OAJMABLYWAEDDP-UKRRQHHQSA-N 0 3 359.817 2.749 20 5 FFBDHN C[C@]1(CO)C[C@H](O)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000888092494 1029618816 /nfs/dbraw/zinc/61/88/16/1029618816.db2.gz XFOCXZYYRGKCKJ-YVEFUNNKSA-N 0 3 366.801 2.826 20 5 FFBDHN COc1cc(CO[C@H]2CC[C@H](N3CCOCC3)CC2)cc([N+](=O)[O-])c1 ZINC001223397600 1033425398 /nfs/dbraw/zinc/42/53/98/1033425398.db2.gz ZYOBNMQTCCQJBW-JCNLHEQBSA-N 0 3 350.415 2.763 20 5 FFBDHN COCCN1CCC(Oc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC001226040218 1034502411 /nfs/dbraw/zinc/50/24/11/1034502411.db2.gz AWUHYSFBVWFJHW-UHFFFAOYSA-N 0 3 359.220 2.847 20 5 FFBDHN CN1CCC(Oc2cc([N+](=O)[O-])ccc2I)CC1 ZINC001229831036 1036925688 /nfs/dbraw/zinc/92/56/88/1036925688.db2.gz KCORBQZWJNGEAR-UHFFFAOYSA-N 0 3 362.167 2.672 20 5 FFBDHN O=C1NCCN(Cc2c3ccccc3c(Cl)c3ccccc32)C12CNC2 ZINC001235070688 1037338684 /nfs/dbraw/zinc/33/86/84/1037338684.db2.gz SENSVXLPRYATAF-UHFFFAOYSA-N 0 3 365.864 2.920 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC001213164972 1040298550 /nfs/dbraw/zinc/29/85/50/1040298550.db2.gz HMPCMSRTNDGRQZ-AWEZNQCLSA-N 0 3 367.471 2.589 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC001213164973 1040299262 /nfs/dbraw/zinc/29/92/62/1040299262.db2.gz HMPCMSRTNDGRQZ-CQSZACIVSA-N 0 3 367.471 2.589 20 5 FFBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001254551511 1040792831 /nfs/dbraw/zinc/79/28/31/1040792831.db2.gz CMZMNSIBRJEHRP-JJAZEVLHSA-N 0 3 361.442 2.981 20 5 FFBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC(NC(=O)c2ccccn2)CC1 ZINC001254570127 1040804244 /nfs/dbraw/zinc/80/42/44/1040804244.db2.gz NCKGLLKFNCIGPT-OAHLLOKOSA-N 0 3 368.437 2.815 20 5 FFBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC(NC(=O)c2ccncc2)CC1 ZINC001254569785 1040806314 /nfs/dbraw/zinc/80/63/14/1040806314.db2.gz KXYHGKJDZHSYMI-OAHLLOKOSA-N 0 3 368.437 2.815 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](NCc1cc(OCC(F)(F)F)ncn1)C2 ZINC001254588216 1040820791 /nfs/dbraw/zinc/82/07/91/1040820791.db2.gz WOWAIYVPCLBUGO-LBPRGKRZSA-N 0 3 368.315 2.583 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCCN(c3ccc(F)cn3)CC1)C2 ZINC001254595969 1040824091 /nfs/dbraw/zinc/82/40/91/1040824091.db2.gz AORXEWLIIYQSTL-GOSISDBHSA-N 0 3 356.401 2.808 20 5 FFBDHN C[C@H](CNC(=O)c1cccc2c1OCCNC2)c1ccccc1[N+](=O)[O-] ZINC001263235962 1042190171 /nfs/dbraw/zinc/19/01/71/1042190171.db2.gz CHEZDJNWJRKGHH-CYBMUJFWSA-N 0 3 355.394 2.610 20 5 FFBDHN CN1CCCC[C@H]1CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001313376427 1044337546 /nfs/dbraw/zinc/33/75/46/1044337546.db2.gz PORJMMRTUKBVMV-AEFFLSMTSA-N 0 3 360.458 2.968 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(n3cc(Cl)cn3)CC2)cc1 ZINC001320195797 1045366307 /nfs/dbraw/zinc/36/63/07/1045366307.db2.gz OMYTUYVPCRCLTL-INIZCTEOSA-N 0 3 350.806 2.815 20 5 FFBDHN CC1(C)[C@H](NCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC001324732947 1046194245 /nfs/dbraw/zinc/19/42/45/1046194245.db2.gz DMYPBBJJVVEXEX-XZJROXQQSA-N 0 3 367.833 2.980 20 5 FFBDHN COc1ccc([C@@H](CNc2c(C)cncc2[N+](=O)[O-])N2CCCC2)cc1 ZINC001323059521 1046327003 /nfs/dbraw/zinc/32/70/03/1046327003.db2.gz MOSHMLZQQPJJMT-QGZVFWFLSA-N 0 3 356.426 2.978 20 5 FFBDHN Cc1ccc2cc(CN[C@H](CO)[C@H](O)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000850138628 1052338397 /nfs/dbraw/zinc/33/83/97/1052338397.db2.gz HKHZZXOEMQTXQW-RTBURBONSA-N 0 3 355.394 2.569 20 5 FFBDHN COc1c(O)ccc(CNC[C@@]2(CO)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC001308793426 1052499638 /nfs/dbraw/zinc/49/96/38/1052499638.db2.gz SKBWPAVWXYAACL-DNVCBOLYSA-N 0 3 358.394 2.565 20 5 FFBDHN C[C@@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1CN(C)CCN1C ZINC001308949277 1052524544 /nfs/dbraw/zinc/52/45/44/1052524544.db2.gz XPOVVTKPVNKLNI-QMTHXVAHSA-N 0 3 361.273 2.626 20 5 FFBDHN CC(COC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)[N+](=O)[O-] ZINC001345776734 1052608264 /nfs/dbraw/zinc/60/82/64/1052608264.db2.gz PUEWUBFOWLANAJ-GFCCVEGCSA-N 0 3 364.398 2.802 20 5 FFBDHN COc1ccc(NC(=O)N(CCN(C)C)Cc2ccco2)c([N+](=O)[O-])c1 ZINC001347495874 1054044801 /nfs/dbraw/zinc/04/48/01/1054044801.db2.gz LVZLKSNNFUIFNT-UHFFFAOYSA-N 0 3 362.386 2.792 20 5 FFBDHN CN(CCNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC001356104621 1055290155 /nfs/dbraw/zinc/29/01/55/1055290155.db2.gz RTLFGJITWGCQSW-UHFFFAOYSA-N 0 3 359.401 2.915 20 5 FFBDHN Cn1cc(N2CC[C@@H](NCc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)cn1 ZINC001352850341 1055863578 /nfs/dbraw/zinc/86/35/78/1055863578.db2.gz RDCVYMHPZHNDLV-CYBMUJFWSA-N 0 3 369.347 2.716 20 5 FFBDHN Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC001444270508 1058291536 /nfs/dbraw/zinc/29/15/36/1058291536.db2.gz ZPBJCZHBZAOWGL-MRXNPFEDSA-N 0 3 354.410 2.571 20 5 FFBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCCC[C@H]2N2CCOCC2)c(Cl)c1 ZINC001459961331 1060857428 /nfs/dbraw/zinc/85/74/28/1060857428.db2.gz IMVJVDWVZOFOQT-DLBZAZTESA-N 0 3 353.850 2.981 20 5 FFBDHN CC(C)CN(CC1CCN(C)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001475609438 1061163999 /nfs/dbraw/zinc/16/39/99/1061163999.db2.gz DIJWWWKWNQYPFD-UHFFFAOYSA-N 0 3 369.487 2.583 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N2c3ccccc3CC[C@H]2CN(C)C)n1 ZINC001523575461 1062525275 /nfs/dbraw/zinc/52/52/75/1062525275.db2.gz ZVPMUFXPFCPNTE-HNNXBMFYSA-N 0 3 354.410 2.821 20 5 FFBDHN CCN1CCCC[C@H]1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001465065132 1062960250 /nfs/dbraw/zinc/96/02/50/1062960250.db2.gz FYZQBMHZHMAQPK-VIFPVBQESA-N 0 3 358.801 2.574 20 5 FFBDHN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001470781682 1064449114 /nfs/dbraw/zinc/44/91/14/1064449114.db2.gz XYPKRKSYSRHBEO-AUUYWEPGSA-N 0 3 368.437 2.817 20 5 FFBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@H](Cn2ccnc2)c2ccccc2)cc1 ZINC001473748188 1065345520 /nfs/dbraw/zinc/34/55/20/1065345520.db2.gz WLJZDVREEMSSNX-RTBURBONSA-N 0 3 352.394 2.856 20 5 FFBDHN C[C@H](NC(=O)Nc1ccnc([C@H]2CCCN2)n1)c1cccc([N+](=O)[O-])c1 ZINC001576216056 1078207126 /nfs/dbraw/zinc/20/71/26/1078207126.db2.gz HUBKIEIICMENHE-SMDDNHRTSA-N 0 3 356.386 2.692 20 5 FFBDHN CC[C@@H](NCc1ccc(OC)c(OCC(N)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC001474071768 1065452175 /nfs/dbraw/zinc/45/21/75/1065452175.db2.gz DNWBTDKOOQMCQC-MRXNPFEDSA-N 0 3 373.409 2.708 20 5 FFBDHN CCOC(=O)[C@@]1(CNCc2ccc([N+](=O)[O-])c(Cl)c2)CCCOC1 ZINC001474652880 1065572262 /nfs/dbraw/zinc/57/22/62/1065572262.db2.gz VIIJQHKRXZGZHZ-MRXNPFEDSA-N 0 3 356.806 2.698 20 5 FFBDHN CCc1cc(NC(=O)C2(N)CC3(CCC3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC001578248243 1078455288 /nfs/dbraw/zinc/45/52/88/1078455288.db2.gz WHFXXSCEIMYKRI-UHFFFAOYSA-N 0 3 354.410 2.727 20 5 FFBDHN Nc1c(Cl)cc(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC001583145779 1079170610 /nfs/dbraw/zinc/17/06/10/1079170610.db2.gz UCQJEYMCEKGFPA-STQMWFEESA-N 0 3 352.822 2.577 20 5 FFBDHN COc1ccc(NC(=O)[C@H](C)N[C@H]2CCOC23CCCC3)c([N+](=O)[O-])c1 ZINC001560208468 1076247364 /nfs/dbraw/zinc/24/73/64/1076247364.db2.gz GLKHAVZSROEXJO-LRDDRELGSA-N 0 3 363.414 2.622 20 5 FFBDHN Cc1ccc(CN2CCO[C@@H](CNCc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC001560561569 1076280098 /nfs/dbraw/zinc/28/00/98/1076280098.db2.gz SHPHSFAUFQMEOW-FQEVSTJZSA-N 0 3 355.438 2.894 20 5 FFBDHN CCc1noc([C@@H]2CC[C@@H]([NH2+]Cc3cc(OC)c([O-])cc3[N+](=O)[O-])C2)n1 ZINC001560608770 1076283351 /nfs/dbraw/zinc/28/33/51/1076283351.db2.gz DNQXMPIUTZNVIM-ZYHUDNBSSA-N 0 3 362.386 2.680 20 5 FFBDHN COc1c(O)ccc(CN[C@@](C)(CO)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC001560954668 1076313804 /nfs/dbraw/zinc/31/38/04/1076313804.db2.gz YVDSSPDKBUUPBM-GOSISDBHSA-N 0 3 364.373 2.531 20 5 FFBDHN CN(C(=O)c1ccc([N+](=O)[O-])cc1N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001566364207 1076951525 /nfs/dbraw/zinc/95/15/25/1076951525.db2.gz IAQZXTFIVKSVRL-MRXNPFEDSA-N 0 3 354.410 2.524 20 5 FFBDHN CC(C)C[N@@H+]1CCC[C@H](CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001589629849 1080642307 /nfs/dbraw/zinc/64/23/07/1080642307.db2.gz KHORDCGHAAJGJO-CYBMUJFWSA-N 0 3 359.434 2.555 20 5 FFBDHN CC(C)C[N@H+]1CCC[C@H](CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001589629849 1080642308 /nfs/dbraw/zinc/64/23/08/1080642308.db2.gz KHORDCGHAAJGJO-CYBMUJFWSA-N 0 3 359.434 2.555 20 5 FFBDHN CC(C)C[N@@H+]1CCC[C@H](CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001589629849 1080642316 /nfs/dbraw/zinc/64/23/16/1080642316.db2.gz KHORDCGHAAJGJO-CYBMUJFWSA-N 0 3 359.434 2.555 20 5 FFBDHN CC(C)C[N@H+]1CCC[C@H](CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001589629849 1080642326 /nfs/dbraw/zinc/64/23/26/1080642326.db2.gz KHORDCGHAAJGJO-CYBMUJFWSA-N 0 3 359.434 2.555 20 5 FFBDHN C[C@@H](N[C@H]1Cc2ccc(-c3nn[nH]n3)cc2C1)c1c(F)cccc1[N+](=O)[O-] ZINC001589953536 1080900239 /nfs/dbraw/zinc/90/02/39/1080900239.db2.gz FSUJXDIZRNQVGO-YGRLFVJLSA-N 0 3 368.372 2.732 20 5 FFBDHN C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590226598 1081107311 /nfs/dbraw/zinc/10/73/11/1081107311.db2.gz DMHWNHPAEUULGD-NFAWXSAZSA-N 0 3 371.445 2.617 20 5 FFBDHN C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590226598 1081107313 /nfs/dbraw/zinc/10/73/13/1081107313.db2.gz DMHWNHPAEUULGD-NFAWXSAZSA-N 0 3 371.445 2.617 20 5 FFBDHN C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001590227453 1081108277 /nfs/dbraw/zinc/10/82/77/1081108277.db2.gz OZFFPCNJZRFHMY-NFAWXSAZSA-N 0 3 371.445 2.617 20 5 FFBDHN C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001590227453 1081108278 /nfs/dbraw/zinc/10/82/78/1081108278.db2.gz OZFFPCNJZRFHMY-NFAWXSAZSA-N 0 3 371.445 2.617 20 5 FFBDHN O=C(c1ccc([N+](=O)[O-])o1)N1CCCN(CCCc2ccccc2)CC1 ZINC000101531673 250075042 /nfs/dbraw/zinc/07/50/42/250075042.db2.gz XGQCZEKQSCQYPW-UHFFFAOYSA-N 0 3 357.410 2.969 20 5 FFBDHN CS[C@H]1CN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C[C@H]1N(C)C ZINC000272625299 252084064 /nfs/dbraw/zinc/08/40/64/252084064.db2.gz VPHMIHHSDDZAOR-KGLIPLIRSA-N 0 3 352.460 2.721 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C2=CCN(C)CC2)cc1SC ZINC000272625324 252084266 /nfs/dbraw/zinc/08/42/66/252084266.db2.gz APXATACKJWAVFU-NSHDSACASA-N 0 3 365.455 2.706 20 5 FFBDHN C[C@@H](Cc1ccc(F)cc1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272914816 252163676 /nfs/dbraw/zinc/16/36/76/252163676.db2.gz HEXBBITZLNOVQV-ZDUSSCGKSA-N 0 3 366.414 2.728 20 5 FFBDHN Cn1cc(CN2CCC(CCCO)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000272983196 252182766 /nfs/dbraw/zinc/18/27/66/252182766.db2.gz VBHPWTVLAVRIKY-UHFFFAOYSA-N 0 3 358.442 2.980 20 5 FFBDHN C[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1=CCN(C)CC1 ZINC000272954835 252174373 /nfs/dbraw/zinc/17/43/73/252174373.db2.gz MZCLSNAQFXWKIW-CQSZACIVSA-N 0 3 358.442 2.919 20 5 FFBDHN C[C@@H]1CCCCN1CCCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000276089072 256071722 /nfs/dbraw/zinc/07/17/22/256071722.db2.gz PWGKVBJFHFMZCI-CYBMUJFWSA-N 0 3 355.460 2.675 20 5 FFBDHN C[C@H]1CN(CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000277185204 256170097 /nfs/dbraw/zinc/17/00/97/256170097.db2.gz HOEHUWRJMCMTFI-LBPRGKRZSA-N 0 3 370.837 2.871 20 5 FFBDHN CCOc1cc(CN2CCC(CN3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000276914637 256142146 /nfs/dbraw/zinc/14/21/46/256142146.db2.gz OBOSKJTYUDUGJO-UHFFFAOYSA-N 0 3 363.458 2.538 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000277347536 256187797 /nfs/dbraw/zinc/18/77/97/256187797.db2.gz ZGTBIVWLKDINBU-UHFFFAOYSA-N 0 3 370.409 2.645 20 5 FFBDHN O=[N+]([O-])c1ccc2[nH]c(CNC3CCN(CC(F)(F)F)CC3)nc2c1 ZINC000278622955 256332080 /nfs/dbraw/zinc/33/20/80/256332080.db2.gz HKAMDFWDANFOFO-UHFFFAOYSA-N 0 3 357.336 2.587 20 5 FFBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000288200448 257159902 /nfs/dbraw/zinc/15/99/02/257159902.db2.gz CMDUAHYSMXLYEE-WBVHZDCISA-N 0 3 372.469 2.894 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000288680383 257217760 /nfs/dbraw/zinc/21/77/60/257217760.db2.gz CRJXSCPJMDHXTE-WOJBJXKFSA-N 0 3 374.412 2.694 20 5 FFBDHN C[C@H]1CS(=O)(=O)C[C@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000288701448 257219385 /nfs/dbraw/zinc/21/93/85/257219385.db2.gz YPVZJCLYEBTYKG-SMDDNHRTSA-N 0 3 366.464 2.846 20 5 FFBDHN COc1ccc(C[C@](C)(O)CNCc2cccc([N+](=O)[O-])c2)cc1OC ZINC000289746862 257296856 /nfs/dbraw/zinc/29/68/56/257296856.db2.gz HYNKKYDPHFMQHM-IBGZPJMESA-N 0 3 360.410 2.695 20 5 FFBDHN Cc1cnn([C@H]2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)c1 ZINC000289785864 257299482 /nfs/dbraw/zinc/29/94/82/257299482.db2.gz HLCZZDNPEOSZAW-INIZCTEOSA-N 0 3 357.414 2.684 20 5 FFBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCCS(=O)(=O)C(C)C ZINC000290220664 257320903 /nfs/dbraw/zinc/32/09/03/257320903.db2.gz HZBPRLQYTUIGRH-ZDUSSCGKSA-N 0 3 360.501 2.878 20 5 FFBDHN Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000290546220 257340286 /nfs/dbraw/zinc/34/02/86/257340286.db2.gz ORIGTMHQYFMPFY-FZMZJTMJSA-N 0 3 362.386 2.510 20 5 FFBDHN COCCCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCN(C)CC1 ZINC000291518456 257407954 /nfs/dbraw/zinc/40/79/54/257407954.db2.gz XSPBULQGWBNOBE-UHFFFAOYSA-N 0 3 369.849 2.821 20 5 FFBDHN CCN1CCN([C@H](C)CNc2cc(C)nc3c2cccc3[N+](=O)[O-])CC1 ZINC000302047124 258083894 /nfs/dbraw/zinc/08/38/94/258083894.db2.gz YRGVETCRLCELEX-OAHLLOKOSA-N 0 3 357.458 2.889 20 5 FFBDHN COC(=O)c1cnc(N[C@H](C)CN2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000302749515 258109732 /nfs/dbraw/zinc/10/97/32/258109732.db2.gz GRQRHRXGLSQSBX-FRRDWIJNSA-N 0 3 350.419 2.555 20 5 FFBDHN CCCN1CCC(CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000301906703 258074550 /nfs/dbraw/zinc/07/45/50/258074550.db2.gz ZGGRTLKPXJEBEP-UHFFFAOYSA-N 0 3 355.460 2.532 20 5 FFBDHN CCN1CCN([C@H]2CCN(c3cc(C)nc4c3cccc4[N+](=O)[O-])C2)CC1 ZINC000301984810 258080454 /nfs/dbraw/zinc/08/04/54/258080454.db2.gz CHKUCLQDBDSVCQ-INIZCTEOSA-N 0 3 369.469 2.668 20 5 FFBDHN O=[N+]([O-])c1cnc2ccc(NC[C@H]3CCCN3Cc3ccccc3)nn21 ZINC000302011206 258081695 /nfs/dbraw/zinc/08/16/95/258081695.db2.gz WIXTXOOLZPCLKD-OAHLLOKOSA-N 0 3 352.398 2.714 20 5 FFBDHN CC(C)c1ccc(CN[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000331023908 258175384 /nfs/dbraw/zinc/17/53/84/258175384.db2.gz RWHWGGNYOGLGIZ-CVEARBPZSA-N 0 3 369.487 2.668 20 5 FFBDHN CS[C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000332069345 258212496 /nfs/dbraw/zinc/21/24/96/258212496.db2.gz BBMSSMDOCCXUOB-KGLIPLIRSA-N 0 3 369.874 2.900 20 5 FFBDHN CCN1CCCC[C@H]1CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000332081535 258212995 /nfs/dbraw/zinc/21/29/95/258212995.db2.gz MFTSQKKIYPGJOT-KRWDZBQOSA-N 0 3 374.485 2.802 20 5 FFBDHN CCN1CCCC[C@@H]1CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000332081536 258213101 /nfs/dbraw/zinc/21/31/01/258213101.db2.gz MFTSQKKIYPGJOT-QGZVFWFLSA-N 0 3 374.485 2.802 20 5 FFBDHN C[C@H]1CCCN(c2ccc(C(=O)N3CCC[C@H]3CN(C)C)cc2[N+](=O)[O-])C1 ZINC000332408094 258229371 /nfs/dbraw/zinc/22/93/71/258229371.db2.gz DFMYYZPXSPUGOF-RDJZCZTQSA-N 0 3 374.485 2.997 20 5 FFBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000331721241 258197897 /nfs/dbraw/zinc/19/78/97/258197897.db2.gz SRKRZLNUWJEYBO-CQSZACIVSA-N 0 3 358.442 2.738 20 5 FFBDHN CN(C)C[C@H]1CCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000268225190 509824151 /nfs/dbraw/zinc/82/41/51/509824151.db2.gz XHYZCRMWYOSJNG-SNVBAGLBSA-N 0 3 374.210 2.663 20 5 FFBDHN O=C(COc1cccc([N+](=O)[O-])c1)NCCCN1CCc2ccccc2C1 ZINC000032401641 506247813 /nfs/dbraw/zinc/24/78/13/506247813.db2.gz ZLPVAWALOWCBGF-UHFFFAOYSA-N 0 3 369.421 2.538 20 5 FFBDHN CN(C)Cc1ccccc1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000065836350 506375513 /nfs/dbraw/zinc/37/55/13/506375513.db2.gz NNAHVDPWZMBATG-UHFFFAOYSA-N 0 3 366.421 2.928 20 5 FFBDHN CCN(CC)C[C@H](C)NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000440079258 513242713 /nfs/dbraw/zinc/24/27/13/513242713.db2.gz XCARBWHVDUIQJJ-JTQLQIEISA-N 0 3 363.867 2.565 20 5 FFBDHN CNC(=O)c1ccc(NC[C@H](c2cccc(F)c2)N(C)C)c([N+](=O)[O-])c1 ZINC000053550518 506401607 /nfs/dbraw/zinc/40/16/07/506401607.db2.gz UAZRBCHHTSJDNR-QGZVFWFLSA-N 0 3 360.389 2.808 20 5 FFBDHN CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000367020000 512299459 /nfs/dbraw/zinc/29/94/59/512299459.db2.gz KURRFUNJGPHZHA-UKRRQHHQSA-N 0 3 357.414 2.616 20 5 FFBDHN CN(C)Cc1ccc(CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000043885315 506796418 /nfs/dbraw/zinc/79/64/18/506796418.db2.gz MPUVHBVRYGMRIR-UHFFFAOYSA-N 0 3 356.426 2.998 20 5 FFBDHN O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000067536292 506914709 /nfs/dbraw/zinc/91/47/09/506914709.db2.gz WXNBGAVNUZAVFT-QGZVFWFLSA-N 0 3 354.410 2.669 20 5 FFBDHN CN(CCN(C)C1CCCCC1)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000067711093 506985243 /nfs/dbraw/zinc/98/52/43/506985243.db2.gz OOZOEMDUAGYCSL-UHFFFAOYSA-N 0 3 369.487 2.699 20 5 FFBDHN CN(C)CCOc1cccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000045814598 507026020 /nfs/dbraw/zinc/02/60/20/507026020.db2.gz XZSWALQIXBIHNZ-UHFFFAOYSA-N 0 3 358.398 2.857 20 5 FFBDHN COc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000015582585 507049736 /nfs/dbraw/zinc/04/97/36/507049736.db2.gz CYJBIHJRCUALST-UHFFFAOYSA-N 0 3 369.421 2.998 20 5 FFBDHN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CCN(Cc2ccccc2)C1 ZINC000047623464 507366598 /nfs/dbraw/zinc/36/65/98/507366598.db2.gz MLADTFHERIHXJF-KRWDZBQOSA-N 0 3 369.421 2.754 20 5 FFBDHN CN1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000069090993 507406153 /nfs/dbraw/zinc/40/61/53/507406153.db2.gz GQHDOWGSCLNUHX-UHFFFAOYSA-N 0 3 354.410 2.875 20 5 FFBDHN CCOc1ccc(CN(C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000026711958 507603411 /nfs/dbraw/zinc/60/34/11/507603411.db2.gz PDIYWEINBCXESH-KRWDZBQOSA-N 0 3 360.410 2.865 20 5 FFBDHN CC(C)[C@@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCS1 ZINC000072836542 507860418 /nfs/dbraw/zinc/86/04/18/507860418.db2.gz BDOFWNAUHROGGK-INIZCTEOSA-N 0 3 365.455 2.966 20 5 FFBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])CCN(C)c1ccccc1 ZINC000107683271 507862720 /nfs/dbraw/zinc/86/27/20/507862720.db2.gz VAPZPLMDCZSRLS-UHFFFAOYSA-N 0 3 356.426 2.992 20 5 FFBDHN O=[N+]([O-])c1ccccc1OCCN(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000089952931 507890380 /nfs/dbraw/zinc/89/03/80/507890380.db2.gz XNJRZFVBNBUUJQ-CABCVRRESA-N 0 3 352.456 2.960 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCCN(c2cccnn2)C1 ZINC000109071185 507936091 /nfs/dbraw/zinc/93/60/91/507936091.db2.gz BOOHXHSUISGXQD-OAHLLOKOSA-N 0 3 357.414 2.542 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCN(CC(F)F)CC1 ZINC000091083003 507951694 /nfs/dbraw/zinc/95/16/94/507951694.db2.gz JZXJCQVPZOYNOK-UHFFFAOYSA-N 0 3 370.400 2.505 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CCN1Cc1ccccc1 ZINC000079945111 508017812 /nfs/dbraw/zinc/01/78/12/508017812.db2.gz NHQZZPYMXFUOGZ-GOEBONIOSA-N 0 3 368.437 2.960 20 5 FFBDHN CCOC(=O)[C@@H]1CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000092456115 508072290 /nfs/dbraw/zinc/07/22/90/508072290.db2.gz AXSDPRIGJFCDJE-OAHLLOKOSA-N 0 3 372.425 2.770 20 5 FFBDHN CCCc1n[nH]c(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000111631059 508111854 /nfs/dbraw/zinc/11/18/54/508111854.db2.gz GETSJTWTWNZUPK-CYBMUJFWSA-N 0 3 359.430 2.521 20 5 FFBDHN COc1ccc(-c2ccc(CN3CCC[C@H](CC(N)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000093808898 508156387 /nfs/dbraw/zinc/15/63/87/508156387.db2.gz LYRLVYLUGISEHK-CYBMUJFWSA-N 0 3 373.409 2.951 20 5 FFBDHN CC(C)(C)C(=O)NC[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000112699498 508210629 /nfs/dbraw/zinc/21/06/29/508210629.db2.gz UXIFJKQREWSCOO-OAHLLOKOSA-N 0 3 363.458 2.848 20 5 FFBDHN CC(C)OCCN1CCC(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000081996833 508224097 /nfs/dbraw/zinc/22/40/97/508224097.db2.gz VFWZKLFUNCTEKL-BQYQJAHWSA-N 0 3 361.442 2.614 20 5 FFBDHN CN(C)CCN(Cc1cccs1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000084250776 508271254 /nfs/dbraw/zinc/27/12/54/508271254.db2.gz VRLHGFMLQNNNOM-UHFFFAOYSA-N 0 3 363.439 2.626 20 5 FFBDHN COc1ccc(-c2ccc(CNCCC(=O)NC(C)C)o2)c([N+](=O)[O-])c1 ZINC000102421358 508275091 /nfs/dbraw/zinc/27/50/91/508275091.db2.gz UKUYZARFJBBGNN-UHFFFAOYSA-N 0 3 361.398 2.868 20 5 FFBDHN CN1CCC(N(Cc2ccccc2)C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000084365142 508275191 /nfs/dbraw/zinc/27/51/91/508275191.db2.gz RGNQECYAYWXACT-UHFFFAOYSA-N 0 3 368.437 2.914 20 5 FFBDHN CCOC(=O)c1ccnc(NC[C@@H](Cc2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000077903635 508390257 /nfs/dbraw/zinc/39/02/57/508390257.db2.gz OLCVDHLVWBKVBJ-OAHLLOKOSA-N 0 3 372.425 2.751 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CCCN(C)C2)cc1SC ZINC000115438373 508394300 /nfs/dbraw/zinc/39/43/00/508394300.db2.gz OTAVYXZRLGDDGR-LBPRGKRZSA-N 0 3 367.471 2.739 20 5 FFBDHN C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000115844516 508446220 /nfs/dbraw/zinc/44/62/20/508446220.db2.gz BYUXXTADPYHLQU-RBSFLKMASA-N 0 3 367.471 2.621 20 5 FFBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000157317794 508551872 /nfs/dbraw/zinc/55/18/72/508551872.db2.gz LOAVKESDIAXOQD-CZUORRHYSA-N 0 3 351.834 2.733 20 5 FFBDHN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCN(CC2CC2)C1 ZINC000116756597 508555089 /nfs/dbraw/zinc/55/50/89/508555089.db2.gz RDSGSWQWOVSSBX-CQSZACIVSA-N 0 3 367.833 2.618 20 5 FFBDHN CC(=O)c1ccc(NCc2ccnc(OCCN(C)C)c2)c([N+](=O)[O-])c1 ZINC000135390735 508597463 /nfs/dbraw/zinc/59/74/63/508597463.db2.gz HZXQREVWABTMLS-UHFFFAOYSA-N 0 3 358.398 2.745 20 5 FFBDHN C[C@@H]1C[C@@H](N(C)C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000122946865 508612077 /nfs/dbraw/zinc/61/20/77/508612077.db2.gz SAQNOUSMISBFCF-OCCSQVGLSA-N 0 3 369.849 2.958 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCC3(CO)COC3)o2)c(Cl)c1 ZINC000123038732 508625601 /nfs/dbraw/zinc/62/56/01/508625601.db2.gz AMSDPJYATZHXTB-UHFFFAOYSA-N 0 3 352.774 2.607 20 5 FFBDHN COc1ccc(OCCN(C)[C@H]2CCCc3c2cnn3C)c([N+](=O)[O-])c1 ZINC000135594002 508629384 /nfs/dbraw/zinc/62/93/84/508629384.db2.gz YYWACIFTAPMQDG-HNNXBMFYSA-N 0 3 360.414 2.725 20 5 FFBDHN COc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000153757152 508643131 /nfs/dbraw/zinc/64/31/31/508643131.db2.gz YNCJMEADJBSSGQ-UHFFFAOYSA-N 0 3 369.421 2.998 20 5 FFBDHN CCCCNC(=O)[C@H]1CC[C@H](C)N(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000153774751 508645570 /nfs/dbraw/zinc/64/55/70/508645570.db2.gz TWUUVTZSDWJKBG-ZVZYQTTQSA-N 0 3 363.458 2.645 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCS[C@@H](C)[C@@H]1C ZINC000118415712 508650515 /nfs/dbraw/zinc/65/05/15/508650515.db2.gz DAXZMQJOJIKWGS-RYUDHWBXSA-N 0 3 353.444 2.758 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1CCCC[C@H]1n1cccn1 ZINC000128934093 508661290 /nfs/dbraw/zinc/66/12/90/508661290.db2.gz WAOZLSXXRHUMIO-NVXWUHKLSA-N 0 3 357.414 2.812 20 5 FFBDHN COc1cc(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000137476547 508757160 /nfs/dbraw/zinc/75/71/60/508757160.db2.gz WLSZNRQAIHCRDW-RHSMWYFYSA-N 0 3 369.421 2.996 20 5 FFBDHN COc1ccc(CNCCc2nc3cc(F)ccc3n2C)cc1[N+](=O)[O-] ZINC000123919583 508757832 /nfs/dbraw/zinc/75/78/32/508757832.db2.gz NRQAGCDBXQWZGF-UHFFFAOYSA-N 0 3 358.373 2.962 20 5 FFBDHN CCCN(CCN(CC)CC)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000119383184 508785506 /nfs/dbraw/zinc/78/55/06/508785506.db2.gz FHGSXOCABRWLKU-UHFFFAOYSA-N 0 3 357.476 2.646 20 5 FFBDHN CCN(CC)C(=O)C1(NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000154549143 508807387 /nfs/dbraw/zinc/80/73/87/508807387.db2.gz MJABKSIASFKYQF-QGZVFWFLSA-N 0 3 363.458 2.789 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000160237022 508958430 /nfs/dbraw/zinc/95/84/30/508958430.db2.gz BOIIIVQNUUNRFL-HIFRSBDPSA-N 0 3 352.398 2.570 20 5 FFBDHN C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000125389981 508976343 /nfs/dbraw/zinc/97/63/43/508976343.db2.gz NMLAAOBWIXFPKE-JTQLQIEISA-N 0 3 363.867 2.503 20 5 FFBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000120554742 509019726 /nfs/dbraw/zinc/01/97/26/509019726.db2.gz ZHGBDTOATHXULD-OCCSQVGLSA-N 0 3 369.849 2.816 20 5 FFBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000125738498 509024103 /nfs/dbraw/zinc/02/41/03/509024103.db2.gz IITARBGUGPMJJC-CZUORRHYSA-N 0 3 354.410 2.699 20 5 FFBDHN Cc1c(NC(=O)CCN[C@@]2(CO)CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000132424706 509029968 /nfs/dbraw/zinc/02/99/68/509029968.db2.gz ZXWJAXACCBSABT-HXUWFJFHSA-N 0 3 369.421 2.655 20 5 FFBDHN CC(C)N(CCN(C)C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000151788009 509083809 /nfs/dbraw/zinc/08/38/09/509083809.db2.gz HRDNBCURPKQAGS-UHFFFAOYSA-N 0 3 362.474 2.610 20 5 FFBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H](c1ccco1)N(C)C ZINC000121018955 509111088 /nfs/dbraw/zinc/11/10/88/509111088.db2.gz BDMNDEUPVUELMS-BBRMVZONSA-N 0 3 360.414 2.797 20 5 FFBDHN CC(C)c1ccc([C@@H](N)CNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000151958796 509118593 /nfs/dbraw/zinc/11/85/93/509118593.db2.gz WFYACUXCVCMECR-SFHVURJKSA-N 0 3 357.410 2.913 20 5 FFBDHN C[C@@H]1CN(CC2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C[C@H](C)O1 ZINC000263846286 509183341 /nfs/dbraw/zinc/18/33/41/509183341.db2.gz XGBCLXDOXJSWSZ-BETUJISGSA-N 0 3 367.471 2.618 20 5 FFBDHN COc1ccc([C@@H](CNc2ncc([N+](=O)[O-])s2)N(C)C)cc1OC ZINC000195505865 509200608 /nfs/dbraw/zinc/20/06/08/509200608.db2.gz CTHIGQQTGUZUBD-LLVKDONJSA-N 0 3 352.416 2.783 20 5 FFBDHN COc1cccc(C(=O)NCCN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000162404450 509217766 /nfs/dbraw/zinc/21/77/66/509217766.db2.gz LIQRUFHCBIGADI-AWEZNQCLSA-N 0 3 357.410 2.992 20 5 FFBDHN Cc1cc(C)c(S(=O)(=O)N(C)CC[C@@H]2CCCCN2C)cc1[N+](=O)[O-] ZINC000191992777 509281553 /nfs/dbraw/zinc/28/15/53/509281553.db2.gz URHOUCZHHLDDBR-HNNXBMFYSA-N 0 3 369.487 2.707 20 5 FFBDHN O=[N+]([O-])c1ccn(CCN[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000192079585 509337160 /nfs/dbraw/zinc/33/71/60/509337160.db2.gz KXRHUMHYCWCOSD-DZGCQCFKSA-N 0 3 354.769 2.704 20 5 FFBDHN O=[N+]([O-])c1ccn(CCN2CCCN(Cc3ccc(Cl)cc3)CC2)n1 ZINC000176202014 509376029 /nfs/dbraw/zinc/37/60/29/509376029.db2.gz SYSSDNMQDLNEDC-UHFFFAOYSA-N 0 3 363.849 2.653 20 5 FFBDHN O=[N+]([O-])c1ccc2nc(N3CCC(CN4CCOCC4)CC3)ccc2c1 ZINC000267214799 509396820 /nfs/dbraw/zinc/39/68/20/509396820.db2.gz MMOGJIFRDAPWBA-UHFFFAOYSA-N 0 3 356.426 2.692 20 5 FFBDHN COc1cc(CNC[C@H](C)N(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000264234170 509398836 /nfs/dbraw/zinc/39/88/36/509398836.db2.gz CSSPOWSALGOKOQ-JTQLQIEISA-N 0 3 365.352 2.584 20 5 FFBDHN COc1cc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000248716305 509449256 /nfs/dbraw/zinc/44/92/56/509449256.db2.gz BWGZVRNRUNFATM-RHSMWYFYSA-N 0 3 369.421 2.854 20 5 FFBDHN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)CCN(C)C)cc2[N+](=O)[O-])C1 ZINC000176371659 509472491 /nfs/dbraw/zinc/47/24/91/509472491.db2.gz CJPZUDPRVBVIAE-GASCZTMLSA-N 0 3 362.474 2.711 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H]1CCCc2c(O)cccc21 ZINC000192361268 509483340 /nfs/dbraw/zinc/48/33/40/509483340.db2.gz RUWKXPBORXSLRR-CJNGLKHVSA-N 0 3 358.394 2.707 20 5 FFBDHN COC(=O)c1cnc(NC[C@H]2CCCN2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000189300307 509508488 /nfs/dbraw/zinc/50/84/88/509508488.db2.gz AFXSSMUGPFQFLL-MRXNPFEDSA-N 0 3 370.409 2.853 20 5 FFBDHN O=C1CCCN1C[C@@H](NCCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000179553769 509508879 /nfs/dbraw/zinc/50/88/79/509508879.db2.gz PRUDRZCHUBGVDC-LJQANCHMSA-N 0 3 369.421 2.927 20 5 FFBDHN O=C1CCCN1C[C@H](NCCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000179553779 509508905 /nfs/dbraw/zinc/50/89/05/509508905.db2.gz PRUDRZCHUBGVDC-IBGZPJMESA-N 0 3 369.421 2.927 20 5 FFBDHN C[C@H](NCc1ccnc(N2CCN(C)CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000173326264 509534271 /nfs/dbraw/zinc/53/42/71/509534271.db2.gz UTDCLJFZDLJGFK-HNNXBMFYSA-N 0 3 355.442 2.592 20 5 FFBDHN COc1ccc(-c2ccc(CNCCCC(=O)N(C)C)o2)c([N+](=O)[O-])c1 ZINC000237287504 509613954 /nfs/dbraw/zinc/61/39/54/509613954.db2.gz PAVZKMYVDISOKW-UHFFFAOYSA-N 0 3 361.398 2.821 20 5 FFBDHN Cc1sc(C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000176691733 509645245 /nfs/dbraw/zinc/64/52/45/509645245.db2.gz OHWXDTTTXFHECE-VXGBXAGGSA-N 0 3 355.460 2.584 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCCO[C@H]1CC(C)C ZINC000186340014 509658070 /nfs/dbraw/zinc/65/80/70/509658070.db2.gz VRZJOUOJOFJAIO-YOEHRIQHSA-N 0 3 365.430 2.725 20 5 FFBDHN CCN1CCCC[C@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173644456 509695264 /nfs/dbraw/zinc/69/52/64/509695264.db2.gz LJYQVSNGGFBZQA-SFHVURJKSA-N 0 3 361.442 2.839 20 5 FFBDHN CC1CCN(CCCCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000189682299 509699815 /nfs/dbraw/zinc/69/98/15/509699815.db2.gz JURCNXSVHBKJCD-UHFFFAOYSA-N 0 3 369.487 2.922 20 5 FFBDHN C[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H](c1ccccc1)N(C)C ZINC000186493527 509738561 /nfs/dbraw/zinc/73/85/61/509738561.db2.gz HNTLQSQNYFOSAQ-XIKOKIGWSA-N 0 3 367.409 2.892 20 5 FFBDHN C[C@@H]1CN(C[C@H]2CCCN2CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000249797922 509764660 /nfs/dbraw/zinc/76/46/60/509764660.db2.gz BIKLOTAFLNMHLQ-JFIYKMOQSA-N 0 3 363.458 2.547 20 5 FFBDHN C[C@@H](CN1CCCCC1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176979158 509795961 /nfs/dbraw/zinc/79/59/61/509795961.db2.gz JWWZTNQAAXRNPB-NSHDSACASA-N 0 3 370.247 2.962 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000193401320 509899113 /nfs/dbraw/zinc/89/91/13/509899113.db2.gz MOWKNNMWJMBFID-QGZVFWFLSA-N 0 3 372.425 2.706 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CN1C1CC1 ZINC000177179019 509920823 /nfs/dbraw/zinc/92/08/23/509920823.db2.gz PAJMQTLKAIDHIC-KGLIPLIRSA-N 0 3 358.442 2.550 20 5 FFBDHN COC(=O)c1cnc(NC[C@@H](c2cccc(F)c2)N(C)C)c([N+](=O)[O-])c1 ZINC000190164408 509979377 /nfs/dbraw/zinc/97/93/77/509979377.db2.gz CMVDIVXIKFRGQW-HNNXBMFYSA-N 0 3 362.361 2.630 20 5 FFBDHN COc1ccc(OCCN2CC[C@@H](C)[C@H](n3ccnc3)C2)c([N+](=O)[O-])c1 ZINC000245526786 509983697 /nfs/dbraw/zinc/98/36/97/509983697.db2.gz FLCKJRJFCIFRML-RHSMWYFYSA-N 0 3 360.414 2.762 20 5 FFBDHN CCc1ccc([C@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])N(C)C)cc1 ZINC000180605756 510009771 /nfs/dbraw/zinc/00/97/71/510009771.db2.gz SNVJZBKEBUMONF-KRWDZBQOSA-N 0 3 356.426 2.772 20 5 FFBDHN N[C@@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000261696670 510030015 /nfs/dbraw/zinc/03/00/15/510030015.db2.gz JKMPGUFYHKJRLW-LSDHHAIUSA-N 0 3 374.828 2.613 20 5 FFBDHN CN1CC[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000245670175 510072863 /nfs/dbraw/zinc/07/28/63/510072863.db2.gz RYKUPPNLPHJJEU-RBUKOAKNSA-N 0 3 368.437 2.882 20 5 FFBDHN C[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H](C)C1 ZINC000245696784 510092713 /nfs/dbraw/zinc/09/27/13/510092713.db2.gz YIGWJUILVHYUKZ-ZIAGYGMSSA-N 0 3 358.442 2.855 20 5 FFBDHN Cc1ccc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c(C[NH+](C)C)c1 ZINC000180813278 510122986 /nfs/dbraw/zinc/12/29/86/510122986.db2.gz NFKGIWTYNJLUGS-UHFFFAOYSA-N 0 3 363.439 2.907 20 5 FFBDHN Cc1ccc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c(CN(C)C)c1 ZINC000180813278 510122991 /nfs/dbraw/zinc/12/29/91/510122991.db2.gz NFKGIWTYNJLUGS-UHFFFAOYSA-N 0 3 363.439 2.907 20 5 FFBDHN COc1cc(C(=O)N(CCN(C)C)c2ccccc2)cc([N+](=O)[O-])c1OC ZINC000265849505 510261982 /nfs/dbraw/zinc/26/19/82/510261982.db2.gz AGZKQZBUJLWCHN-UHFFFAOYSA-N 0 3 373.409 2.820 20 5 FFBDHN C[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(N2CCOC2=O)cc1 ZINC000181280565 510336185 /nfs/dbraw/zinc/33/61/85/510336185.db2.gz SDWFVTJGQQDSPW-ACJLOTCBSA-N 0 3 371.393 2.936 20 5 FFBDHN CCOC(=O)[C@H](C)[C@@H](C)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000190957714 510433910 /nfs/dbraw/zinc/43/39/10/510433910.db2.gz GLDKJWRWJLRQJJ-CHWSQXEVSA-N 0 3 360.414 2.673 20 5 FFBDHN CC(C)c1n[nH]c(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000269500620 510438710 /nfs/dbraw/zinc/43/87/10/510438710.db2.gz YZNNMEUJDBGTSA-HNNXBMFYSA-N 0 3 371.441 2.836 20 5 FFBDHN Cc1cc(S(=O)(=O)N2CCCC[C@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000172021011 510502799 /nfs/dbraw/zinc/50/27/99/510502799.db2.gz YWYMILCNJLRFLN-HNNXBMFYSA-N 0 3 367.471 2.542 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)CN1C1CC1 ZINC000184856891 510548898 /nfs/dbraw/zinc/54/88/98/510548898.db2.gz HUZIPDDPOCZUAB-ZJUUUORDSA-N 0 3 368.231 2.712 20 5 FFBDHN O=C(CCN1CCC(n2ccnc2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000181736706 510566952 /nfs/dbraw/zinc/56/69/52/510566952.db2.gz XHHIHZCUCSSLFT-UHFFFAOYSA-N 0 3 361.377 2.596 20 5 FFBDHN O=[N+]([O-])c1cnn(CCN(CCc2ccccc2)Cc2cccnc2)c1 ZINC000191352377 510617913 /nfs/dbraw/zinc/61/79/13/510617913.db2.gz KBRJTANVMYIRCV-UHFFFAOYSA-N 0 3 351.410 2.931 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)Cc1ccccc1 ZINC000195002846 510627292 /nfs/dbraw/zinc/62/72/92/510627292.db2.gz ZWIPKFVBMOUGBJ-UHFFFAOYSA-N 0 3 357.410 2.807 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H]2c2cccc(Cl)c2)c1 ZINC000246773995 510665316 /nfs/dbraw/zinc/66/53/16/510665316.db2.gz RYFKKCFKKGWBLO-HZPDHXFCSA-N 0 3 350.806 2.643 20 5 FFBDHN CN(Cc1ccccc1[N+](=O)[O-])C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188297389 510696308 /nfs/dbraw/zinc/69/63/08/510696308.db2.gz JIRSTRYJKCQDMI-HXUWFJFHSA-N 0 3 355.438 2.664 20 5 FFBDHN CCO[C@@H]1C[C@H](N(C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000182022844 510716113 /nfs/dbraw/zinc/71/61/13/510716113.db2.gz MEMCCIZYMURHED-JCGIZDLHSA-N 0 3 364.442 2.614 20 5 FFBDHN COc1cc(C[NH2+]C2CCN(c3nccs3)CC2)c([N+](=O)[O-])cc1[O-] ZINC000282342339 510938314 /nfs/dbraw/zinc/93/83/14/510938314.db2.gz VECUHNOCYDOYAL-UHFFFAOYSA-N 0 3 364.427 2.524 20 5 FFBDHN C[C@H]1C[C@H](N2CCCC2)CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000285544399 510948835 /nfs/dbraw/zinc/94/88/35/510948835.db2.gz LVDQHTCNXILCFN-BBRMVZONSA-N 0 3 357.414 2.703 20 5 FFBDHN Cc1cc(C(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)cc([N+](=O)[O-])c1 ZINC000270877692 511013161 /nfs/dbraw/zinc/01/31/61/511013161.db2.gz JUWLCRMAEGTCGE-UHFFFAOYSA-N 0 3 374.485 2.534 20 5 FFBDHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000361256719 511021271 /nfs/dbraw/zinc/02/12/71/511021271.db2.gz DKIKGIVMIJISKG-INIZCTEOSA-N 0 3 354.410 2.584 20 5 FFBDHN COc1cc(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000294596800 511114576 /nfs/dbraw/zinc/11/45/76/511114576.db2.gz USMIWNPTJFFRPA-VXGBXAGGSA-N 0 3 353.394 2.593 20 5 FFBDHN CC(C)N1CCC[C@@H](CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000294662526 511135399 /nfs/dbraw/zinc/13/53/99/511135399.db2.gz IIHNBOLXFBKVSS-HNNXBMFYSA-N 0 3 361.442 2.794 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CN1C1CC1 ZINC000295059343 511267183 /nfs/dbraw/zinc/26/71/83/511267183.db2.gz TZXOELCLXRHCFQ-UWVGGRQHSA-N 0 3 357.332 2.969 20 5 FFBDHN O=C(CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000295094777 511279856 /nfs/dbraw/zinc/27/98/56/511279856.db2.gz AJACJTKWMZWURP-HFBAOOFYSA-N 0 3 365.817 2.734 20 5 FFBDHN COc1cc(CNCC[C@H](C)CCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000295209895 511321892 /nfs/dbraw/zinc/32/18/92/511321892.db2.gz ZXCBXHRIBFIGQO-NSHDSACASA-N 0 3 362.373 2.746 20 5 FFBDHN C[C@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000295283124 511347752 /nfs/dbraw/zinc/34/77/52/511347752.db2.gz HXJQAJWEVLXRAU-LLVKDONJSA-N 0 3 369.824 2.873 20 5 FFBDHN C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCN(C2CC2)C1 ZINC000295341742 511369780 /nfs/dbraw/zinc/36/97/80/511369780.db2.gz MRLIHZZRMPZKFI-HNNXBMFYSA-N 0 3 372.469 2.751 20 5 FFBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000295387615 511387316 /nfs/dbraw/zinc/38/73/16/511387316.db2.gz RECPLVVOMDHWME-FZKQIMNGSA-N 0 3 369.425 2.684 20 5 FFBDHN CN1CC=C(CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000272031217 511406247 /nfs/dbraw/zinc/40/62/47/511406247.db2.gz MYFJXJLFLBWIRR-UHFFFAOYSA-N 0 3 369.219 2.741 20 5 FFBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000272200145 511463513 /nfs/dbraw/zinc/46/35/13/511463513.db2.gz PHJFQNWQPRINFM-CQSZACIVSA-N 0 3 371.441 2.583 20 5 FFBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)n1 ZINC000272243971 511477627 /nfs/dbraw/zinc/47/76/27/511477627.db2.gz NZEIRLMSQXOOJH-HNNXBMFYSA-N 0 3 373.461 2.837 20 5 FFBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)n1 ZINC000272243971 511477629 /nfs/dbraw/zinc/47/76/29/511477629.db2.gz NZEIRLMSQXOOJH-HNNXBMFYSA-N 0 3 373.461 2.837 20 5 FFBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)n1 ZINC000272243971 511477632 /nfs/dbraw/zinc/47/76/32/511477632.db2.gz NZEIRLMSQXOOJH-HNNXBMFYSA-N 0 3 373.461 2.837 20 5 FFBDHN COc1cc(CNCCCCCCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000272261020 511483897 /nfs/dbraw/zinc/48/38/97/511483897.db2.gz APIUBXFPQQKIQB-UHFFFAOYSA-N 0 3 362.373 2.890 20 5 FFBDHN C[C@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CCN(C2CCC2)C1 ZINC000292180745 511495342 /nfs/dbraw/zinc/49/53/42/511495342.db2.gz DXVYAXAAXPDTHA-OAHLLOKOSA-N 0 3 360.458 2.653 20 5 FFBDHN O=c1cccc2n1C[C@H]1C[C@@H]2CN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000295735089 511499792 /nfs/dbraw/zinc/49/97/92/511499792.db2.gz WFNMIJLCQNODRD-JKSUJKDBSA-N 0 3 369.421 2.645 20 5 FFBDHN COc1cc(OC)cc([C@@H](O)CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000283995540 511569969 /nfs/dbraw/zinc/56/99/69/511569969.db2.gz HMYTXSWMARFYKA-VOJFVSQTSA-N 0 3 361.398 2.578 20 5 FFBDHN COc1ccc(NC(=O)CCN[C@H](CCO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000299490909 511657599 /nfs/dbraw/zinc/65/75/99/511657599.db2.gz ATOGOFKJZLQVRU-MRXNPFEDSA-N 0 3 373.409 2.645 20 5 FFBDHN CN(C)CC1(NC(=O)c2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000281132505 511732442 /nfs/dbraw/zinc/73/24/42/511732442.db2.gz UIQYRIVKVSWHMS-UHFFFAOYSA-N 0 3 356.220 2.571 20 5 FFBDHN C[C@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCN(C2CC2)C1 ZINC000296698134 511858700 /nfs/dbraw/zinc/85/87/00/511858700.db2.gz KRSLTRSWLIUJOI-ZDUSSCGKSA-N 0 3 357.414 2.561 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000366162669 511875660 /nfs/dbraw/zinc/87/56/60/511875660.db2.gz HXLHZZQJSCYKHB-CQSZACIVSA-N 0 3 371.393 2.573 20 5 FFBDHN C[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000296751481 511882632 /nfs/dbraw/zinc/88/26/32/511882632.db2.gz PRHSETBBZDLXAI-BLLLJJGKSA-N 0 3 361.354 2.594 20 5 FFBDHN CC(C)c1n[nH]c(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000274699454 511913568 /nfs/dbraw/zinc/91/35/68/511913568.db2.gz NFYMDEHIAMSEQR-LRDDRELGSA-N 0 3 359.430 2.863 20 5 FFBDHN O=C(CN[C@H](c1ccccc1)[C@@H]1CCOC1)Nc1ccccc1[N+](=O)[O-] ZINC000371556542 512464140 /nfs/dbraw/zinc/46/41/40/512464140.db2.gz ZFDUCLOBYZYLCX-DNVCBOLYSA-N 0 3 355.394 2.901 20 5 FFBDHN CN(C)CC(C)(C)NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000411104079 512470310 /nfs/dbraw/zinc/47/03/10/512470310.db2.gz WLYBCKQCEGPWFV-UHFFFAOYSA-N 0 3 363.336 2.606 20 5 FFBDHN CC(C)N1CCN([C@H]2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000377830021 512471420 /nfs/dbraw/zinc/47/14/20/512471420.db2.gz AFKGEUCTJQCEEJ-KRWDZBQOSA-N 0 3 366.893 2.849 20 5 FFBDHN C[C@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000367433952 512496300 /nfs/dbraw/zinc/49/63/00/512496300.db2.gz BZNBPLFLHGEUIS-ZFWWWQNUSA-N 0 3 352.866 2.710 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@@H](C)N2CCCC[C@@H]2C)c1F ZINC000411414185 512624353 /nfs/dbraw/zinc/62/43/53/512624353.db2.gz HSHJKCAJGNISAY-QWHCGFSZSA-N 0 3 367.421 2.664 20 5 FFBDHN CCc1ccc([C@@H](CO)NCCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000411511419 512669459 /nfs/dbraw/zinc/66/94/59/512669459.db2.gz PHAWTVKZOXOQCM-QGZVFWFLSA-N 0 3 357.410 2.809 20 5 FFBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000378401754 512741337 /nfs/dbraw/zinc/74/13/37/512741337.db2.gz KWAZFJRHTVOTPA-NSHDSACASA-N 0 3 358.423 2.755 20 5 FFBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)CC[C@@H]1N1CCN(C)CC1 ZINC000374306570 512757055 /nfs/dbraw/zinc/75/70/55/512757055.db2.gz AVAFTHWHGXTUJC-RDJZCZTQSA-N 0 3 369.469 2.605 20 5 FFBDHN Cc1c(CC(=O)N[C@@H]2CN(C)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000374315543 512762695 /nfs/dbraw/zinc/76/26/95/512762695.db2.gz GAWLSSAIPDSNHO-ZWKOTPCHSA-N 0 3 353.422 2.660 20 5 FFBDHN CN1CCC2(CCCN2C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000370203988 512818620 /nfs/dbraw/zinc/81/86/20/512818620.db2.gz LZKGKVJEHVBSDC-UHFFFAOYSA-N 0 3 369.368 2.897 20 5 FFBDHN O=C(CCN1CC[C@@](CO)(c2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000368262187 512870760 /nfs/dbraw/zinc/87/07/60/512870760.db2.gz WLHONXZMTAIFCH-HXUWFJFHSA-N 0 3 369.421 2.559 20 5 FFBDHN CC(C)(CN1CCOCC1)NCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000412001634 512908328 /nfs/dbraw/zinc/90/83/28/512908328.db2.gz ZZORFJBIYMZITC-UHFFFAOYSA-N 0 3 361.364 2.814 20 5 FFBDHN C[C@H]1C[C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000397976620 512952312 /nfs/dbraw/zinc/95/23/12/512952312.db2.gz KWJZIHPNMNUTDR-XJKSGUPXSA-N 0 3 354.410 2.769 20 5 FFBDHN C[C@@H]1CC[C@H](C)N1[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000408217949 513024049 /nfs/dbraw/zinc/02/40/49/513024049.db2.gz GOKMZJJVMQWLQY-LZWOXQAQSA-N 0 3 367.471 2.621 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@@H]3CCCC[C@]32c2ccccc2)c1 ZINC000370706824 513062867 /nfs/dbraw/zinc/06/28/67/513062867.db2.gz FVDFXYLXHBDWBE-UHOSZYNNSA-N 0 3 356.426 2.554 20 5 FFBDHN CN1CCN(CC2(C)CCN(c3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000374930641 513078340 /nfs/dbraw/zinc/07/83/40/513078340.db2.gz SBYWWOCMJTULNO-UHFFFAOYSA-N 0 3 350.438 2.588 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H](c2ccccc2)[C@H]2CCOC2)c1 ZINC000374983158 513097221 /nfs/dbraw/zinc/09/72/21/513097221.db2.gz CEVVSUGWECPMJR-HQRMLTQVSA-N 0 3 372.421 2.702 20 5 FFBDHN Cc1ncc2c(n1)CC[C@@H](NCc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000368824407 513115196 /nfs/dbraw/zinc/11/51/96/513115196.db2.gz RZKFHNPHUFQXFM-CYBMUJFWSA-N 0 3 364.352 2.942 20 5 FFBDHN CN(C)[C@@]1(CNc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CCSC1 ZINC000450362560 513159006 /nfs/dbraw/zinc/15/90/06/513159006.db2.gz GQZDICZFTRKAPP-MRXNPFEDSA-N 0 3 364.496 2.989 20 5 FFBDHN COc1ccc(-c2ccc(CNCC3(CC(N)=O)CC3)o2)c([N+](=O)[O-])c1 ZINC000421351260 513233814 /nfs/dbraw/zinc/23/38/14/513233814.db2.gz NMJWWWKDYSQMCS-UHFFFAOYSA-N 0 3 359.382 2.609 20 5 FFBDHN Cc1nc(N2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC000450537586 513240458 /nfs/dbraw/zinc/24/04/58/513240458.db2.gz DZGPVLMVAWHSSJ-IRXDYDNUSA-N 0 3 353.426 2.652 20 5 FFBDHN CN(C)CCN(Cc1ccco1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000446422917 513259298 /nfs/dbraw/zinc/25/92/98/513259298.db2.gz AHNGPVVRERWTCW-UHFFFAOYSA-N 0 3 361.398 2.547 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCCNCc1cccnc1 ZINC000415487745 513285736 /nfs/dbraw/zinc/28/57/36/513285736.db2.gz UNLCYHBGDRYABI-UHFFFAOYSA-N 0 3 357.414 2.908 20 5 FFBDHN O=C(NC[C@@H]1CCCCN1C1CC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000434425226 513319622 /nfs/dbraw/zinc/31/96/22/513319622.db2.gz NTNITVJZABOXRF-SFHVURJKSA-N 0 3 369.425 2.527 20 5 FFBDHN CN(C[C@H]1CCCN1C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000421713850 513383277 /nfs/dbraw/zinc/38/32/77/513383277.db2.gz UCNZJYAMMOBRNA-LLVKDONJSA-N 0 3 356.220 2.524 20 5 FFBDHN CN(C[C@@H]1CCCN1C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000421713851 513383610 /nfs/dbraw/zinc/38/36/10/513383610.db2.gz UCNZJYAMMOBRNA-NSHDSACASA-N 0 3 356.220 2.524 20 5 FFBDHN CCN1CCN(C[C@@H](C)CNc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413085450 513434531 /nfs/dbraw/zinc/43/45/31/513434531.db2.gz WEPYSDADGGXABC-HNNXBMFYSA-N 0 3 357.458 2.829 20 5 FFBDHN COCCCN1CCC(Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413107024 513450518 /nfs/dbraw/zinc/45/05/18/513450518.db2.gz BHZOCYKFRBVJRR-UHFFFAOYSA-N 0 3 362.352 2.921 20 5 FFBDHN COc1ccc(-c2ccc(CN3CC[C@@H](c4nnc[nH]4)C3)o2)c([N+](=O)[O-])c1 ZINC000425349404 513522115 /nfs/dbraw/zinc/52/21/15/513522115.db2.gz CZKUYCSHIWTNNS-GFCCVEGCSA-N 0 3 369.381 2.971 20 5 FFBDHN C[C@H](NCCOc1ccc(S(C)(=O)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000451108594 513529931 /nfs/dbraw/zinc/52/99/31/513529931.db2.gz XCYDDUBWRXAKJX-ZDUSSCGKSA-N 0 3 364.423 2.728 20 5 FFBDHN COc1ccc(CNC(=O)CCN2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000416135569 513589451 /nfs/dbraw/zinc/58/94/51/513589451.db2.gz QVWXPUGULYGBDB-UHFFFAOYSA-N 0 3 369.421 2.668 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H](C1CCOCC1)C1(CO)CCC1 ZINC000425536677 513626244 /nfs/dbraw/zinc/62/62/44/513626244.db2.gz HGFMKAFEAQBQNS-GOSISDBHSA-N 0 3 364.442 2.651 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000447981088 513644890 /nfs/dbraw/zinc/64/48/90/513644890.db2.gz XWYXTDPTVKMKRP-INIZCTEOSA-N 0 3 364.446 2.523 20 5 FFBDHN CCN1CC[C@@H](CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436072867 513752344 /nfs/dbraw/zinc/75/23/44/513752344.db2.gz CRKQESBMFHDJOB-ZDUSSCGKSA-N 0 3 367.424 2.892 20 5 FFBDHN CCO[C@H]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@@H]1C ZINC000451522734 513806788 /nfs/dbraw/zinc/80/67/88/513806788.db2.gz BRHLXPCNNKXSNP-BBRMVZONSA-N 0 3 363.414 2.640 20 5 FFBDHN COCCCN1CCC(Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000436386350 513842791 /nfs/dbraw/zinc/84/27/91/513842791.db2.gz HWTGAFPGUSAVHZ-UHFFFAOYSA-N 0 3 362.352 2.921 20 5 FFBDHN CCOC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000451588444 513850218 /nfs/dbraw/zinc/85/02/18/513850218.db2.gz FLXCVJOURGRBPN-CABCVRRESA-N 0 3 363.414 2.553 20 5 FFBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000449109750 514075130 /nfs/dbraw/zinc/07/51/30/514075130.db2.gz YAUUWDQLOPNQIZ-CRAIPNDOSA-N 0 3 353.422 2.917 20 5 FFBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000449213750 514117024 /nfs/dbraw/zinc/11/70/24/514117024.db2.gz VRCKWVYYCIIITJ-DGCLKSJQSA-N 0 3 359.348 2.669 20 5 FFBDHN C[C@H]1CN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C[C@@H]1N(C)C ZINC000444156598 514138960 /nfs/dbraw/zinc/13/89/60/514138960.db2.gz DFUFSVFWDLXSCZ-SJCJKPOMSA-N 0 3 367.424 2.843 20 5 FFBDHN CCO[C@@H]1CCCC[C@H]1N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000452033051 514148324 /nfs/dbraw/zinc/14/83/24/514148324.db2.gz FHGVUEAQRUAEFS-SUYBPPKGSA-N 0 3 365.430 2.868 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000427360232 514193956 /nfs/dbraw/zinc/19/39/56/514193956.db2.gz YLFODJVQHIYHCE-KBXCAEBGSA-N 0 3 369.421 2.854 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000427360235 514194562 /nfs/dbraw/zinc/19/45/62/514194562.db2.gz YLFODJVQHIYHCE-RDTXWAMCSA-N 0 3 369.421 2.854 20 5 FFBDHN NC(=O)c1cccc([N+](=O)[O-])c1NC[C@@H]1CCCN1Cc1ccccc1 ZINC000420601218 514197405 /nfs/dbraw/zinc/19/74/05/514197405.db2.gz NDVQRGZMSYRDPC-HNNXBMFYSA-N 0 3 354.410 2.770 20 5 FFBDHN CCc1ccccc1[C@@H](N)CNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000417172730 514209905 /nfs/dbraw/zinc/20/99/05/514209905.db2.gz GIEVURGPKJYGJT-KRWDZBQOSA-N 0 3 372.425 2.665 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437987926 514283513 /nfs/dbraw/zinc/28/35/13/514283513.db2.gz RMXSVURGFNEJAY-SUMWQHHRSA-N 0 3 358.442 2.752 20 5 FFBDHN COCc1nc2n(n1)C[C@@H](N[C@H]1CCCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000417313445 514288667 /nfs/dbraw/zinc/28/86/67/514288667.db2.gz VZJDMBHSIUVPFX-YOEHRIQHSA-N 0 3 371.441 2.705 20 5 FFBDHN O=C(NC[C@@H]1CCCN1CCCO)c1cc2ccccc2c2cccnc12 ZINC000452343040 514293696 /nfs/dbraw/zinc/29/36/96/514293696.db2.gz ANGWZCRUPJGFFJ-KRWDZBQOSA-N 0 3 363.461 2.965 20 5 FFBDHN C[C@H](NS(=O)(=O)c1ccc(CN(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000432858137 514304271 /nfs/dbraw/zinc/30/42/71/514304271.db2.gz HVZHIXLLAVKNMJ-ZDUSSCGKSA-N 0 3 363.439 2.696 20 5 FFBDHN CC(C)c1ccc(CN2CCN([C@H]3CCNC(=O)CC3)CC2)cc1[N+](=O)[O-] ZINC000449700177 514312179 /nfs/dbraw/zinc/31/21/79/514312179.db2.gz PTMWOGSFLPIIIM-QGZVFWFLSA-N 0 3 374.485 2.505 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCO[C@@H](c2nccn2C)C1 ZINC000449779145 514349323 /nfs/dbraw/zinc/34/93/23/514349323.db2.gz XMIXWSREEMWQEU-RHSMWYFYSA-N 0 3 360.414 2.737 20 5 FFBDHN C[C@@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCCC[C@H]1C ZINC000444850051 514351142 /nfs/dbraw/zinc/35/11/42/514351142.db2.gz NXVSPXIIPWBEMQ-OLZOCXBDSA-N 0 3 374.445 2.533 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3CNCCC3(F)F)cs2)c1 ZINC000415003363 514397758 /nfs/dbraw/zinc/39/77/58/514397758.db2.gz OXRZCLUNILNZQS-CYBMUJFWSA-N 0 3 354.382 2.805 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCN1CCCC(C)(C)C1 ZINC000445255803 514453501 /nfs/dbraw/zinc/45/35/01/514453501.db2.gz ZMOXGRKIMYSUNE-UHFFFAOYSA-N 0 3 364.446 2.525 20 5 FFBDHN Cc1c(CC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000438904680 514464789 /nfs/dbraw/zinc/46/47/89/514464789.db2.gz VQUZOIZGPFPTEC-SFHVURJKSA-N 0 3 353.422 2.836 20 5 FFBDHN CCOC(=O)[C@]1(COC)CCCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000439485731 514564885 /nfs/dbraw/zinc/56/48/85/514564885.db2.gz UOGXGTOPEJHNRW-GOSISDBHSA-N 0 3 350.415 2.695 20 5 FFBDHN C[C@H](c1ccccc1)[C@@H](O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000450260844 514569675 /nfs/dbraw/zinc/56/96/75/514569675.db2.gz LFTBNINCKMNUOX-UZLBHIALSA-N 0 3 355.438 2.881 20 5 FFBDHN O=C1[C@@H](N[C@@H]2CCCC[C@H]2OC(F)F)CCN1c1cccc([N+](=O)[O-])c1 ZINC000502538034 514684512 /nfs/dbraw/zinc/68/45/12/514684512.db2.gz APWFQXRNNUKRJU-QLFBSQMISA-N 0 3 369.368 2.840 20 5 FFBDHN CN(C)C[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000484692275 514750928 /nfs/dbraw/zinc/75/09/28/514750928.db2.gz BCCKZEMCFSFGIR-SFHVURJKSA-N 0 3 374.416 2.879 20 5 FFBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000489416114 514837422 /nfs/dbraw/zinc/83/74/22/514837422.db2.gz YYMHWPAUFUCVHA-HDMKZQKVSA-N 0 3 360.458 2.509 20 5 FFBDHN CCN(CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)c1ccsc1 ZINC000498369890 514884879 /nfs/dbraw/zinc/88/48/79/514884879.db2.gz XGCGYUIWSLGHIQ-CQSZACIVSA-N 0 3 350.444 2.808 20 5 FFBDHN CN(C)[C@@]1(CNc2ncc([N+](=O)[O-])cc2Br)CCSC1 ZINC000485154080 514938209 /nfs/dbraw/zinc/93/82/09/514938209.db2.gz UCQOZOHUZRVVQS-GFCCVEGCSA-N 0 3 361.265 2.602 20 5 FFBDHN CCN(C(=O)c1cc([N+](=O)[O-])nn1C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000476381881 515027480 /nfs/dbraw/zinc/02/74/80/515027480.db2.gz YEYXDRGEKZQOAK-ZBFHGGJFSA-N 0 3 371.441 2.626 20 5 FFBDHN O=C(Nc1cccc(CN2CCC(O)CC2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000467644682 515068301 /nfs/dbraw/zinc/06/83/01/515068301.db2.gz VVPQALBXKGSMQF-UHFFFAOYSA-N 0 3 373.384 2.943 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)(C)CN1CCCC1 ZINC000480784386 515082117 /nfs/dbraw/zinc/08/21/17/515082117.db2.gz CIZKNHPYWSEJTI-UHFFFAOYSA-N 0 3 369.487 2.558 20 5 FFBDHN COc1ccc(-c2ccc(CNCCc3nc(C)n[nH]3)o2)c([N+](=O)[O-])c1 ZINC000503575665 515085502 /nfs/dbraw/zinc/08/55/02/515085502.db2.gz IFHRUOHNTXHBIX-UHFFFAOYSA-N 0 3 357.370 2.622 20 5 FFBDHN CCCC[C@@H](NCCc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(C)on1 ZINC000467979262 515184940 /nfs/dbraw/zinc/18/49/40/515184940.db2.gz LBDUAKVWXQISCH-OAHLLOKOSA-N 0 3 360.414 2.643 20 5 FFBDHN C[C@H](NS(=O)(=O)c1ccc(CN(C)C)cc1)c1ccccc1[N+](=O)[O-] ZINC000477482111 515474340 /nfs/dbraw/zinc/47/43/40/515474340.db2.gz FTXCRAWMEATCER-ZDUSSCGKSA-N 0 3 363.439 2.696 20 5 FFBDHN CC(C)O[C@@H]1C[C@H](N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1(C)C ZINC000463401867 515476891 /nfs/dbraw/zinc/47/68/91/515476891.db2.gz BUSDEFQYHFMRSQ-YESZJQIVSA-N 0 3 361.442 2.882 20 5 FFBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000499879357 515491153 /nfs/dbraw/zinc/49/11/53/515491153.db2.gz RZFIRMGACYIUBD-UKRRQHHQSA-N 0 3 354.410 2.742 20 5 FFBDHN CN(CC(=O)N1CCN(CC2CCCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000463520896 515533489 /nfs/dbraw/zinc/53/34/89/515533489.db2.gz WRZVKHSDWPDVGP-UHFFFAOYSA-N 0 3 374.485 2.756 20 5 FFBDHN C[C@@H]1[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000494045866 515719299 /nfs/dbraw/zinc/71/92/99/515719299.db2.gz CNRPIDYKQMBXLO-DNVCBOLYSA-N 0 3 369.421 2.753 20 5 FFBDHN C[C@H]1CCCN(c2ccc(C(=O)NC(C)(C)CN(C)C)cc2[N+](=O)[O-])C1 ZINC000457223692 515735533 /nfs/dbraw/zinc/73/55/33/515735533.db2.gz PXTBEQRJAKRBIX-AWEZNQCLSA-N 0 3 362.474 2.901 20 5 FFBDHN CN(Cc1cccc2[nH]ccc21)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000494110026 515736707 /nfs/dbraw/zinc/73/67/07/515736707.db2.gz YFKVCCIPFNHOSM-HNNXBMFYSA-N 0 3 355.394 2.948 20 5 FFBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000511531534 515936156 /nfs/dbraw/zinc/93/61/56/515936156.db2.gz ZCBCDKMMHDRFFJ-JKSUJKDBSA-N 0 3 362.474 2.899 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CN1C1CC1 ZINC000487819716 515991258 /nfs/dbraw/zinc/99/12/58/515991258.db2.gz QCAGYOWAQVDGCG-FZMZJTMJSA-N 0 3 366.849 2.715 20 5 FFBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]1CN(C)C ZINC000464925375 516016651 /nfs/dbraw/zinc/01/66/51/516016651.db2.gz IUHGHZWXEHFKCY-YPMHNXCESA-N 0 3 355.822 2.568 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000488475661 516235226 /nfs/dbraw/zinc/23/52/26/516235226.db2.gz JRGBBCHHLSPYIU-ZBFHGGJFSA-N 0 3 356.426 2.574 20 5 FFBDHN CC(C)NC(=O)c1ccc(N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000488716166 516292917 /nfs/dbraw/zinc/29/29/17/516292917.db2.gz QYQXYXXDHYYAHS-RVKKMQEKSA-N 0 3 374.485 2.900 20 5 FFBDHN CN(CCC1CCN(c2ccncc2)CC1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000539983488 516387524 /nfs/dbraw/zinc/38/75/24/516387524.db2.gz IHLDAUZOASKZFD-UHFFFAOYSA-N 0 3 371.441 2.707 20 5 FFBDHN CNc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C)o2)cc1[N+](=O)[O-] ZINC000523674900 516541434 /nfs/dbraw/zinc/54/14/34/516541434.db2.gz JFYUXIZWYVGIFK-UHFFFAOYSA-N 0 3 360.414 2.742 20 5 FFBDHN CC(C)Oc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)N(C)C)cc1 ZINC000554639036 516560494 /nfs/dbraw/zinc/56/04/94/516560494.db2.gz MYKDPZNRWOPJIL-QGZVFWFLSA-N 0 3 360.414 2.743 20 5 FFBDHN CCN(C[C@H]1CCCN1CC)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000547799411 516570230 /nfs/dbraw/zinc/57/02/30/516570230.db2.gz ZDQRYPLGPMFSEF-MRXNPFEDSA-N 0 3 371.441 2.727 20 5 FFBDHN CS[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000536172936 516663679 /nfs/dbraw/zinc/66/36/79/516663679.db2.gz LTGLGBSKHARNNN-CHWSQXEVSA-N 0 3 360.277 2.839 20 5 FFBDHN C[C@@H](CCN1C(=O)c2ccccc2C1=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000513677677 516715023 /nfs/dbraw/zinc/71/50/23/516715023.db2.gz AJWAIMKGXAVCAT-ZDUSSCGKSA-N 0 3 353.378 2.759 20 5 FFBDHN CC[C@@H](NC[C@@H](O)COc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000531951605 516729695 /nfs/dbraw/zinc/72/96/95/516729695.db2.gz YMXQWHJLVSETPT-NVXWUHKLSA-N 0 3 374.393 2.804 20 5 FFBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCN3CCCc4ccccc43)C2)nc1 ZINC000536425931 516759150 /nfs/dbraw/zinc/75/91/50/516759150.db2.gz IEZSMBVHIVHXBV-QGZVFWFLSA-N 0 3 367.453 2.929 20 5 FFBDHN O=[N+]([O-])c1ccn(CCN[C@@H](c2cncc(Br)c2)C2CC2)n1 ZINC000551721025 516840454 /nfs/dbraw/zinc/84/04/54/516840454.db2.gz YSTFWNQSFRDMIX-CQSZACIVSA-N 0 3 366.219 2.690 20 5 FFBDHN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000558834903 516965235 /nfs/dbraw/zinc/96/52/35/516965235.db2.gz NCSWOXRUZZTXOF-MRXNPFEDSA-N 0 3 358.446 2.650 20 5 FFBDHN C[C@@H]1CCN(CCNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000525291268 516996769 /nfs/dbraw/zinc/99/67/69/516996769.db2.gz BOQVESYHISDJST-MRXNPFEDSA-N 0 3 363.461 2.613 20 5 FFBDHN CC(C)c1ccc([C@H](N)CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000514727024 517026617 /nfs/dbraw/zinc/02/66/17/517026617.db2.gz MVZLPXYKFPYMLH-OAHLLOKOSA-N 0 3 371.393 2.877 20 5 FFBDHN Cc1ccc([C@H](CC(=O)OC(C)C)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000537166680 517065106 /nfs/dbraw/zinc/06/51/06/517065106.db2.gz XBCIEUDMUYEDEW-KRWDZBQOSA-N 0 3 360.414 2.772 20 5 FFBDHN Cc1ccc(CN2CC[C@@H](CN(C)C(=O)c3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000552134516 517101339 /nfs/dbraw/zinc/10/13/39/517101339.db2.gz OCWBKDDUNIDBQQ-AWEZNQCLSA-N 0 3 374.466 2.954 20 5 FFBDHN Cc1ccc([C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000520062103 517266595 /nfs/dbraw/zinc/26/65/95/517266595.db2.gz YDTWNZJPDSVSPW-SFHVURJKSA-N 0 3 357.410 2.701 20 5 FFBDHN COc1ccc([C@H](CN(C)C)NC(=O)c2cccc([N+](=O)[O-])c2OC)cc1 ZINC000552818142 517403078 /nfs/dbraw/zinc/40/30/78/517403078.db2.gz BZOLMPCYYNZRGO-INIZCTEOSA-N 0 3 373.409 2.645 20 5 FFBDHN Cc1cc(N(C)CCCN2CCN(C)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549491830 517588868 /nfs/dbraw/zinc/58/88/68/517588868.db2.gz HAINOVXVTVAUTI-UHFFFAOYSA-N 0 3 374.407 2.996 20 5 FFBDHN CN(C)c1nccc(CN[C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000538409840 517609815 /nfs/dbraw/zinc/60/98/15/517609815.db2.gz YWTVFSXTNICNCT-PBHICJAKSA-N 0 3 355.442 2.952 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@H](Cc1ccccc1Cl)C(N)=O ZINC000542693689 517690543 /nfs/dbraw/zinc/69/05/43/517690543.db2.gz RJPQOOPXWBPRJP-HNNXBMFYSA-N 0 3 361.829 2.990 20 5 FFBDHN CS[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C[C@H]1N(C)C ZINC000546549692 517721236 /nfs/dbraw/zinc/72/12/36/517721236.db2.gz MMHRVFLSTVJZLW-HUUCEWRRSA-N 0 3 369.462 2.516 20 5 FFBDHN CNC(=O)COc1cccc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000556898795 517735154 /nfs/dbraw/zinc/73/51/54/517735154.db2.gz QTTAMPAQZHRPGR-AWEZNQCLSA-N 0 3 357.410 2.879 20 5 FFBDHN CCCN(CCN1CCCCC1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000553484681 517739905 /nfs/dbraw/zinc/73/99/05/517739905.db2.gz VEYOGLHOOOXTMY-UHFFFAOYSA-N 0 3 359.430 2.809 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H](N1CCOCC1)C(F)(F)F)CCC2 ZINC000556920117 517749583 /nfs/dbraw/zinc/74/95/83/517749583.db2.gz DWULLCMTIVWNQI-CVEARBPZSA-N 0 3 373.375 2.825 20 5 FFBDHN CN(C)CCO[C@@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000534141664 517758395 /nfs/dbraw/zinc/75/83/95/517758395.db2.gz LFFAROPWHLUXFK-MRXNPFEDSA-N 0 3 356.426 2.814 20 5 FFBDHN CN(C)CCO[C@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000534141663 517758818 /nfs/dbraw/zinc/75/88/18/517758818.db2.gz LFFAROPWHLUXFK-INIZCTEOSA-N 0 3 356.426 2.814 20 5 FFBDHN CCCCO[C@H]1C[C@@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000534178482 517773623 /nfs/dbraw/zinc/77/36/23/517773623.db2.gz VBGXZRHKKNXPOD-CVEARBPZSA-N 0 3 351.447 2.672 20 5 FFBDHN C[C@@H]1COCCN1C1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000522010337 517948622 /nfs/dbraw/zinc/94/86/22/517948622.db2.gz AGEFAQOIWYMNLW-CYBMUJFWSA-N 0 3 353.850 2.933 20 5 FFBDHN CCc1ccc([C@@H](NCC2(O)CCN(C)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543403483 518073580 /nfs/dbraw/zinc/07/35/80/518073580.db2.gz UJDKPSPEZRTHTD-IBGZPJMESA-N 0 3 373.453 2.886 20 5 FFBDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534964997 518101386 /nfs/dbraw/zinc/10/13/86/518101386.db2.gz IBIBIDBSTAXRDQ-OAHLLOKOSA-N 0 3 366.421 2.979 20 5 FFBDHN C[C@@H](C(=O)N[C@@H](Cc1ccccc1)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000569778253 518283362 /nfs/dbraw/zinc/28/33/62/518283362.db2.gz DFGBIJKRRKBRHC-QAPCUYQASA-N 0 3 355.438 2.987 20 5 FFBDHN CCOC(=O)c1ccnc(N(CC)CCN2CCCCCC2)c1[N+](=O)[O-] ZINC000584342415 518291476 /nfs/dbraw/zinc/29/14/76/518291476.db2.gz LCXMXLXVDPAHTK-UHFFFAOYSA-N 0 3 364.446 2.869 20 5 FFBDHN O=[N+]([O-])c1cc2c(nc1N1CC[C@@H](OCCN3CCCCC3)C1)CCCC2 ZINC000572872869 518401516 /nfs/dbraw/zinc/40/15/16/518401516.db2.gz VGNZRDGYOFUPRF-QGZVFWFLSA-N 0 3 374.485 2.950 20 5 FFBDHN CCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000584869446 518516124 /nfs/dbraw/zinc/51/61/24/518516124.db2.gz HVSACGIIUOEUJR-DJIMGWMZSA-N 0 3 361.442 2.719 20 5 FFBDHN COc1ccccc1-n1nccc1CNCCOc1ccc([N+](=O)[O-])cc1 ZINC000579307664 518615976 /nfs/dbraw/zinc/61/59/76/518615976.db2.gz XIKLLIMZAKUSGV-UHFFFAOYSA-N 0 3 368.393 2.958 20 5 FFBDHN CCN1CCCC[C@@H]1CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000582202869 518634940 /nfs/dbraw/zinc/63/49/40/518634940.db2.gz FWKZBPLNYPXLHM-MRXNPFEDSA-N 0 3 373.457 2.792 20 5 FFBDHN CC(C)Oc1nc(NC[C@H](c2cccs2)N(C)C)ccc1[N+](=O)[O-] ZINC000579613965 518767276 /nfs/dbraw/zinc/76/72/76/518767276.db2.gz KQJVOIHMLVOAPU-CYBMUJFWSA-N 0 3 350.444 2.975 20 5 FFBDHN NC[C@@H]1c2ccccc2CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000567926113 518786887 /nfs/dbraw/zinc/78/68/87/518786887.db2.gz CTFLIGJZGBCVKH-QGZVFWFLSA-N 0 3 359.813 2.875 20 5 FFBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@@H](O)COc1ccc(F)c(F)c1 ZINC000565219528 518848192 /nfs/dbraw/zinc/84/81/92/518848192.db2.gz YEEDBQMZKFESBH-DIFFPNOSSA-N 0 3 364.348 2.890 20 5 FFBDHN O=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1F)CCNC2 ZINC000565293001 518883870 /nfs/dbraw/zinc/88/38/70/518883870.db2.gz SWWUKLVBWTYIIO-UHFFFAOYSA-N 0 3 374.372 2.580 20 5 FFBDHN CN(C(=O)c1c(N)cccc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000571050105 518904676 /nfs/dbraw/zinc/90/46/76/518904676.db2.gz MZBVJIOPADZGGS-HNNXBMFYSA-N 0 3 354.410 2.524 20 5 FFBDHN CCCN(CCN1CCCCCC1)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000589097452 518914090 /nfs/dbraw/zinc/91/40/90/518914090.db2.gz FPOKESKBAAGUDF-UHFFFAOYSA-N 0 3 351.451 2.539 20 5 FFBDHN COCC1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000582781699 518918697 /nfs/dbraw/zinc/91/86/97/518918697.db2.gz RMNUCHKQHMIWRX-UHFFFAOYSA-N 0 3 370.471 2.555 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000565389709 518928930 /nfs/dbraw/zinc/92/89/30/518928930.db2.gz ALIWVOPKTJMAON-FXAWDEMLSA-N 0 3 368.437 2.877 20 5 FFBDHN O=C(CCN[C@@H](CO)c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000580008482 518959475 /nfs/dbraw/zinc/95/94/75/518959475.db2.gz MTAYVBXDUXERJY-INIZCTEOSA-N 0 3 363.801 2.900 20 5 FFBDHN CN(C)CCOc1cnccc1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000577317868 519019682 /nfs/dbraw/zinc/01/96/82/519019682.db2.gz MCYXZHMGFYYYQQ-UHFFFAOYSA-N 0 3 367.409 2.512 20 5 FFBDHN CC(=O)N1C[C@@H]2CCC[C@H](NCc3c(F)cc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000574236206 519054239 /nfs/dbraw/zinc/05/42/39/519054239.db2.gz SASQZYLRCNELRZ-YLVFBTJISA-N 0 3 353.369 2.610 20 5 FFBDHN CC[C@@H](CN1CCCC1)NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000589643163 519054424 /nfs/dbraw/zinc/05/44/24/519054424.db2.gz GVAFZBRVDJFXIV-HNNXBMFYSA-N 0 3 373.457 2.792 20 5 FFBDHN C[C@H](c1ccccc1)[C@@H](NCCCOc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000590000485 519125395 /nfs/dbraw/zinc/12/53/95/519125395.db2.gz GLRAVSGOJCOAEO-RDTXWAMCSA-N 0 3 357.410 2.611 20 5 FFBDHN NC(=O)c1cccc(NC2CCN(CCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000580415632 519164793 /nfs/dbraw/zinc/16/47/93/519164793.db2.gz BPWATRADMQTVMI-UHFFFAOYSA-N 0 3 368.437 2.813 20 5 FFBDHN COC(=O)c1ccnc(NC[C@@H](c2cccc(F)c2)N(C)C)c1[N+](=O)[O-] ZINC000590568576 519268584 /nfs/dbraw/zinc/26/85/84/519268584.db2.gz IFUPNEUKRFTGNQ-AWEZNQCLSA-N 0 3 362.361 2.630 20 5 FFBDHN COC(=O)c1c(Cl)c(N2CCC[C@@H]3CN(C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000590581009 519273957 /nfs/dbraw/zinc/27/39/57/519273957.db2.gz GJPQAKNCGDGIEW-VXGBXAGGSA-N 0 3 367.833 2.955 20 5 FFBDHN COc1cccc([N+](=O)[O-])c1N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000574842840 519360484 /nfs/dbraw/zinc/36/04/84/519360484.db2.gz ILLHRQSDPAUKOW-GASCZTMLSA-N 0 3 363.458 2.929 20 5 FFBDHN CC(C)Oc1ccc([C@H](CNc2ncc([N+](=O)[O-])s2)N(C)C)cc1 ZINC000574884229 519384245 /nfs/dbraw/zinc/38/42/45/519384245.db2.gz HRJROJSVJLHDHZ-AWEZNQCLSA-N 0 3 350.444 2.975 20 5 FFBDHN Cc1ccc(NCCCNC(=O)[C@H]2CNCc3ccccc32)c([N+](=O)[O-])c1 ZINC000569118020 519389075 /nfs/dbraw/zinc/38/90/75/519389075.db2.gz NCDJDLOYTIFIBU-KRWDZBQOSA-N 0 3 368.437 2.708 20 5 FFBDHN CC(C)CN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C1CCN(C)CC1 ZINC000574950891 519418911 /nfs/dbraw/zinc/41/89/11/519418911.db2.gz USTUGVDYWKIDJJ-UHFFFAOYSA-N 0 3 363.414 2.516 20 5 FFBDHN COc1cc(C(=O)Nc2cccc3c2CCNC3)c([N+](=O)[O-])cc1OC ZINC000581052021 519495835 /nfs/dbraw/zinc/49/58/35/519495835.db2.gz NOIIGOCYFVDGES-UHFFFAOYSA-N 0 3 357.366 2.510 20 5 FFBDHN CN1CCN(c2ccc(CN[C@H]3CCc4c3cccc4[N+](=O)[O-])cn2)CC1 ZINC000566473490 519512111 /nfs/dbraw/zinc/51/21/11/519512111.db2.gz BKYFLCLCCSTOKV-SFHVURJKSA-N 0 3 367.453 2.519 20 5 FFBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594418461 519953662 /nfs/dbraw/zinc/95/36/62/519953662.db2.gz JFHOKYFIEFUCNC-QZTJIDSGSA-N 0 3 360.458 2.920 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CCCN3CCCC[C@H]23)c1 ZINC000594420540 519955642 /nfs/dbraw/zinc/95/56/42/519955642.db2.gz WGCQUQRGERUJIA-JKSUJKDBSA-N 0 3 361.442 2.805 20 5 FFBDHN O=[N+]([O-])c1cccc(OCCN[C@H](c2ccncc2)C2(CO)CCC2)c1 ZINC000602902351 519960825 /nfs/dbraw/zinc/96/08/25/519960825.db2.gz LGNYWDGRGKZHNU-GOSISDBHSA-N 0 3 357.410 2.862 20 5 FFBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599999204 519993508 /nfs/dbraw/zinc/99/35/08/519993508.db2.gz MODAPRLJJDCVEO-LLVKDONJSA-N 0 3 370.247 2.912 20 5 FFBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc2c(c1)CNCC2 ZINC000591681343 519996744 /nfs/dbraw/zinc/99/67/44/519996744.db2.gz IZFLAWGZICOTOH-UHFFFAOYSA-N 0 3 358.423 3.000 20 5 FFBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@H]1NCCc2ccccc21 ZINC000591684161 519996941 /nfs/dbraw/zinc/99/69/41/519996941.db2.gz WJZGUJUVCFQUAL-QGZVFWFLSA-N 0 3 357.435 2.690 20 5 FFBDHN C[C@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000591744282 520018720 /nfs/dbraw/zinc/01/87/20/520018720.db2.gz OAYVJUYKRXCRLI-ZDUSSCGKSA-N 0 3 368.480 2.898 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H]2CCc3ccccc3C2)cc1 ZINC000591741808 520019459 /nfs/dbraw/zinc/01/94/59/520019459.db2.gz SDUORTTZIVKTQN-HNNXBMFYSA-N 0 3 374.462 2.763 20 5 FFBDHN Cc1c(NC(=O)[C@H](C)N[C@@H]2CCCN3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000594551506 520023264 /nfs/dbraw/zinc/02/32/64/520023264.db2.gz FLTBQCAUUYHFLJ-LESCRADOSA-N 0 3 360.458 2.837 20 5 FFBDHN COc1cc(C(=O)NC[C@@H]2CCN2C2CCCCC2)c([N+](=O)[O-])cc1F ZINC000600230355 520139447 /nfs/dbraw/zinc/13/94/47/520139447.db2.gz RQDZRKFJTWBGDY-ZDUSSCGKSA-N 0 3 365.405 2.879 20 5 FFBDHN O=[N+]([O-])c1ccc(NC2CCN([C@H]3CCOC3)CC2)c(OC(F)F)c1 ZINC000612789650 520148034 /nfs/dbraw/zinc/14/80/34/520148034.db2.gz VEZAFUHKHBLNEQ-ZDUSSCGKSA-N 0 3 357.357 2.861 20 5 FFBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000594853963 520191113 /nfs/dbraw/zinc/19/11/13/520191113.db2.gz BQEZYWSLQKOGPS-AWEZNQCLSA-N 0 3 367.471 2.589 20 5 FFBDHN C[S@](=O)[C@@H]1CCC[C@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000594962580 520230622 /nfs/dbraw/zinc/23/06/22/520230622.db2.gz RTXKKJPOROWSJV-UDWROGOWSA-N 0 3 362.398 2.976 20 5 FFBDHN CN(CCCN(C)c1ncnc2cccc([N+](=O)[O-])c21)Cc1ccncc1 ZINC000603401545 520249839 /nfs/dbraw/zinc/24/98/39/520249839.db2.gz PRDPEYQQNRLABJ-UHFFFAOYSA-N 0 3 366.425 2.891 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CCOC2(CCOCC2)C1 ZINC000595021893 520260301 /nfs/dbraw/zinc/26/03/01/520260301.db2.gz GMXNXOMBGQLZPK-KBPBESRZSA-N 0 3 350.415 2.982 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000595038295 520265345 /nfs/dbraw/zinc/26/53/45/520265345.db2.gz IUQMBTNGEUWONI-PMUMKWKESA-N 0 3 364.442 2.822 20 5 FFBDHN O=C(NC[C@@H]1CCN1C1CCCC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000600472747 520279603 /nfs/dbraw/zinc/27/96/03/520279603.db2.gz PMXQUFWGEPMFHH-HNNXBMFYSA-N 0 3 369.425 2.527 20 5 FFBDHN Cc1cc([N+](=O)[O-])cnc1N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000609384014 520300806 /nfs/dbraw/zinc/30/08/06/520300806.db2.gz XTXOGRCJFRRBMK-UHFFFAOYSA-N 0 3 369.469 2.552 20 5 FFBDHN CN(C)C(=O)CCN1CCC(Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000609449096 520315829 /nfs/dbraw/zinc/31/58/29/520315829.db2.gz XDRFEOXVAKQPKT-UHFFFAOYSA-N 0 3 354.838 2.603 20 5 FFBDHN CCOc1cc(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000597922968 520324456 /nfs/dbraw/zinc/32/44/56/520324456.db2.gz HQWAZXQGLGSCCD-GFCCVEGCSA-N 0 3 365.430 2.605 20 5 FFBDHN CCN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@H]1CCN(CC)C1 ZINC000598039034 520388894 /nfs/dbraw/zinc/38/88/94/520388894.db2.gz HOZKSWQBVJYHMD-LBPRGKRZSA-N 0 3 357.357 2.753 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC(C)(C)OCC1(C)C ZINC000609671685 520401314 /nfs/dbraw/zinc/40/13/14/520401314.db2.gz ISXQTEHYPSVMCP-UHFFFAOYSA-N 0 3 365.430 2.821 20 5 FFBDHN CNc1c(C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000613234404 520402879 /nfs/dbraw/zinc/40/28/79/520402879.db2.gz HHTMCIOVMBAAKX-MRXNPFEDSA-N 0 3 368.437 2.983 20 5 FFBDHN O=C(Cc1ccccc1[N+](=O)[O-])NCC1CCN(Cc2ccncc2)CC1 ZINC000598061792 520405638 /nfs/dbraw/zinc/40/56/38/520405638.db2.gz HKUKCKJWYMUFNG-UHFFFAOYSA-N 0 3 368.437 2.561 20 5 FFBDHN CC1(C)C[C@H](N2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)CO1 ZINC000595433115 520467916 /nfs/dbraw/zinc/46/79/16/520467916.db2.gz NWSAUMRAVPVKEE-AWEZNQCLSA-N 0 3 359.430 2.551 20 5 FFBDHN COc1ccc(CNC(=O)N[C@H](C)CN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000595446731 520475598 /nfs/dbraw/zinc/47/55/98/520475598.db2.gz DFLYZFWAQDFXDT-CQSZACIVSA-N 0 3 364.446 2.523 20 5 FFBDHN CCOC(=O)c1ccnc(NC[C@H](C)N2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000609963932 520491921 /nfs/dbraw/zinc/49/19/21/520491921.db2.gz JQVKYJWUSCZYCS-OLZOCXBDSA-N 0 3 350.419 2.841 20 5 FFBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000598262890 520527240 /nfs/dbraw/zinc/52/72/40/520527240.db2.gz NKZDNDOAGNDBFR-AWEZNQCLSA-N 0 3 358.442 2.855 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000610208562 520580320 /nfs/dbraw/zinc/58/03/20/520580320.db2.gz DQOOPSABZHCSHF-WCQYABFASA-N 0 3 355.822 2.616 20 5 FFBDHN COC[C@H](NCc1ccc(Br)cc1[N+](=O)[O-])C1CCOCC1 ZINC000595617341 520597358 /nfs/dbraw/zinc/59/73/58/520597358.db2.gz RUXJRDJUWGXJGT-AWEZNQCLSA-N 0 3 373.247 2.889 20 5 FFBDHN CN(c1ccccc1)c1ccc(CN[C@@H]2COCC[C@H]2O)cc1[N+](=O)[O-] ZINC000601159833 520665853 /nfs/dbraw/zinc/66/58/53/520665853.db2.gz OYRWMVCEQNIISP-VQIMIIECSA-N 0 3 357.410 2.602 20 5 FFBDHN O=[N+]([O-])c1ccc(CN[C@@]2(CO)CCCN(Cc3ccccc3)C2)c(F)c1 ZINC000610481133 520708434 /nfs/dbraw/zinc/70/84/34/520708434.db2.gz JUWSGSCHFSIKGZ-FQEVSTJZSA-N 0 3 373.428 2.851 20 5 FFBDHN Cc1c(Br)cc(C(=O)N2CCN[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000598571120 520715160 /nfs/dbraw/zinc/71/51/60/520715160.db2.gz GMAPNAIJQPAMLF-ZDUSSCGKSA-N 0 3 370.247 2.736 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595790882 520727433 /nfs/dbraw/zinc/72/74/33/520727433.db2.gz ZJUCSCFRNMUJNU-JFIYKMOQSA-N 0 3 364.442 2.616 20 5 FFBDHN Cc1ccc(S(=O)(=O)NC[C@@H]2CCN(C(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000598620534 520748209 /nfs/dbraw/zinc/74/82/09/520748209.db2.gz YHWWAHNJYJVWJO-AWEZNQCLSA-N 0 3 369.487 2.610 20 5 FFBDHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cccc2c1CCNC2 ZINC000595938112 520833473 /nfs/dbraw/zinc/83/34/73/520833473.db2.gz VXRWUOUFKPOUIY-UHFFFAOYSA-N 0 3 353.422 2.993 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000610816239 520853157 /nfs/dbraw/zinc/85/31/57/520853157.db2.gz DWNGGWFKWYHZKW-HUUCEWRRSA-N 0 3 368.437 2.932 20 5 FFBDHN COc1ccc(NC(=O)CCN(C)CCOC(C)(C)C)c([N+](=O)[O-])c1 ZINC000610859836 520876342 /nfs/dbraw/zinc/87/63/42/520876342.db2.gz OZFLFJRWAFCACV-UHFFFAOYSA-N 0 3 353.419 2.679 20 5 FFBDHN Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCCCN(Cc3ccccc3)C2)n1 ZINC000601726307 520921979 /nfs/dbraw/zinc/92/19/79/520921979.db2.gz HTRCKZYBDHPGQG-MRXNPFEDSA-N 0 3 371.441 2.503 20 5 FFBDHN COC1CCN(C2(CNc3c(Cl)cncc3[N+](=O)[O-])CCCC2)CC1 ZINC000596121890 520925668 /nfs/dbraw/zinc/92/56/68/520925668.db2.gz MOYWEVRKKZEHJZ-UHFFFAOYSA-N 0 3 368.865 2.901 20 5 FFBDHN O=C(NC1CCN(C2CC2)CC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000598990616 520964203 /nfs/dbraw/zinc/96/42/03/520964203.db2.gz CNCXSEFTGPAJDC-UHFFFAOYSA-N 0 3 368.231 2.714 20 5 FFBDHN COc1ccc(CNCC2(OCCO)CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000598992959 520965603 /nfs/dbraw/zinc/96/56/03/520965603.db2.gz FBFAXUHEJWQHNO-UHFFFAOYSA-N 0 3 374.384 2.650 20 5 FFBDHN CN(c1ccccc1)c1ccc(CNCCN2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000599008822 520976444 /nfs/dbraw/zinc/97/64/44/520976444.db2.gz IMHZKYYQCQZPBV-GOSISDBHSA-N 0 3 370.453 2.519 20 5 FFBDHN C[C@@H]1CN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CCN1CC(C)(C)O ZINC000596223946 520978673 /nfs/dbraw/zinc/97/86/73/520978673.db2.gz VDGPPOSKYPUAFT-LLVKDONJSA-N 0 3 361.364 2.895 20 5 FFBDHN CC[C@@H](NC[C@H]1CN(Cc2ccncc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000599088373 521023851 /nfs/dbraw/zinc/02/38/51/521023851.db2.gz QMJZTOHMDLAVSO-VQTJNVASSA-N 0 3 370.453 2.932 20 5 FFBDHN COCCN1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000611182177 521027150 /nfs/dbraw/zinc/02/71/50/521027150.db2.gz XMDKSGFZKXTCGR-MRXNPFEDSA-N 0 3 356.426 2.601 20 5 FFBDHN Cc1nc(N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)ccc1[N+](=O)[O-] ZINC000593496583 521031334 /nfs/dbraw/zinc/03/13/34/521031334.db2.gz SNBAZHDMXYKIDF-RTBURBONSA-N 0 3 368.437 2.778 20 5 FFBDHN C[C@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])N(C)C1CC1 ZINC000599303527 521138328 /nfs/dbraw/zinc/13/83/28/521138328.db2.gz RBJHTYMXXGFDRP-SECBINFHSA-N 0 3 356.220 2.570 20 5 FFBDHN CCN(CCNC(=O)c1c(Br)cccc1[N+](=O)[O-])C1CC1 ZINC000599311074 521142830 /nfs/dbraw/zinc/14/28/30/521142830.db2.gz CSANWFLQOFHWEV-UHFFFAOYSA-N 0 3 356.220 2.571 20 5 FFBDHN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)CCN1CCCCC1 ZINC000593761728 521200402 /nfs/dbraw/zinc/20/04/02/521200402.db2.gz PDHNJQRBJTWQDN-UHFFFAOYSA-N 0 3 358.446 2.795 20 5 FFBDHN CN1CCC[C@@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000618806260 521246497 /nfs/dbraw/zinc/24/64/97/521246497.db2.gz PUJLJXFMYDPXSR-GFCCVEGCSA-N 0 3 360.336 2.507 20 5 FFBDHN C[C@H]1C[C@@H](N(C)C(=O)c2c(Br)cccc2[N+](=O)[O-])CCN1C ZINC000599567843 521304286 /nfs/dbraw/zinc/30/42/86/521304286.db2.gz POBTVZMUECJYRO-QWRGUYRKSA-N 0 3 370.247 2.912 20 5 FFBDHN O=C(NCCCNCc1cccnc1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602424795 521337126 /nfs/dbraw/zinc/33/71/26/521337126.db2.gz LZNRAIHGLDYMLU-UHFFFAOYSA-N 0 3 368.437 2.708 20 5 FFBDHN CO[C@H](CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CCOCC1 ZINC000602472771 521366980 /nfs/dbraw/zinc/36/69/80/521366980.db2.gz BQYGGCNMHTZJGL-LJQANCHMSA-N 0 3 364.442 2.880 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000596913195 521375905 /nfs/dbraw/zinc/37/59/05/521375905.db2.gz SRAXKQIOQNPDHR-MRXNPFEDSA-N 0 3 362.430 2.532 20 5 FFBDHN COC(=O)C(C)(C)CNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602505499 521384338 /nfs/dbraw/zinc/38/43/38/521384338.db2.gz LGWAQGRRKAXPFD-UHFFFAOYSA-N 0 3 351.222 2.708 20 5 FFBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCC1CCS(=O)(=O)CC1 ZINC000602579875 521420869 /nfs/dbraw/zinc/42/08/69/521420869.db2.gz IZGCTOBSTOPGHP-UHFFFAOYSA-N 0 3 366.361 2.528 20 5 FFBDHN O=C1C[C@@H](CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CN1C1CC1 ZINC000602711699 521491514 /nfs/dbraw/zinc/49/15/14/521491514.db2.gz JLFGGADUFKUMRR-JTQLQIEISA-N 0 3 357.332 2.714 20 5 FFBDHN CCOC(=O)[C@]1(C)CCC[C@@H]1NCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000597241606 521592753 /nfs/dbraw/zinc/59/27/53/521592753.db2.gz UJZDPXKSQFEMID-FUHWJXTLSA-N 0 3 366.414 2.824 20 5 FFBDHN CN(C)CCn1cc(Nc2ccc([N+](=O)[O-])cc2Br)cn1 ZINC000619586476 521785602 /nfs/dbraw/zinc/78/56/02/521785602.db2.gz XRVRMBFWJZFOIS-UHFFFAOYSA-N 0 3 354.208 2.859 20 5 FFBDHN COc1ccc(C[NH2+]CC=Cc2ccccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826202703 607567883 /nfs/dbraw/zinc/56/78/83/607567883.db2.gz JAPJOHUKNPQMLL-XQRVVYSFSA-N 0 3 366.381 2.587 20 5 FFBDHN COc1ccc(C[NH2+]CC=Cc2ccccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826202703 607567885 /nfs/dbraw/zinc/56/78/85/607567885.db2.gz JAPJOHUKNPQMLL-XQRVVYSFSA-N 0 3 366.381 2.587 20 5 FFBDHN O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823648384 606999900 /nfs/dbraw/zinc/99/99/00/606999900.db2.gz VWTUPODHPYBCJE-KRWDZBQOSA-N 0 3 364.409 2.886 20 5 FFBDHN O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823648384 606999902 /nfs/dbraw/zinc/99/99/02/606999902.db2.gz VWTUPODHPYBCJE-KRWDZBQOSA-N 0 3 364.409 2.886 20 5 FFBDHN C[C@@H]([NH2+]CCOc1cccc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000824599791 608470193 /nfs/dbraw/zinc/47/01/93/608470193.db2.gz SMNLFMZAJUPZFN-GFCCVEGCSA-N 0 3 354.370 2.505 20 5 FFBDHN CC[C@@H]([NH2+]C[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000825141840 608552085 /nfs/dbraw/zinc/55/20/85/608552085.db2.gz QOBNTZGDLGUZNO-SJORKVTESA-N 0 3 368.397 2.549 20 5 FFBDHN COc1c([O-])ccc(C[N@@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000898513777 735373483 /nfs/dbraw/zinc/37/34/83/735373483.db2.gz YEOKOPMMSHXVFA-HIFRSBDPSA-N 0 3 350.415 2.948 20 5 FFBDHN COc1c([O-])ccc(C[N@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000898513777 735373486 /nfs/dbraw/zinc/37/34/86/735373486.db2.gz YEOKOPMMSHXVFA-HIFRSBDPSA-N 0 3 350.415 2.948 20 5 FFBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000874830733 732104798 /nfs/dbraw/zinc/10/47/98/732104798.db2.gz SSOOZDBWODIGQO-ZIAGYGMSSA-N 0 3 355.797 2.625 20 5 FFBDHN Cc1csc([C@@H]2CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)n1 ZINC000880008760 732818793 /nfs/dbraw/zinc/81/87/93/732818793.db2.gz HDKAYOSQULOXOA-KGLIPLIRSA-N 0 3 363.439 2.589 20 5 FFBDHN NC(=O)C1(N2CCCCC2)CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000882816486 733298173 /nfs/dbraw/zinc/29/81/73/733298173.db2.gz MZCNLAVNGYIEIO-UHFFFAOYSA-N 0 3 366.849 2.558 20 5 FFBDHN C[C@@H]1CS(=O)(=O)C[C@@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000886294849 733771189 /nfs/dbraw/zinc/77/11/89/733771189.db2.gz YPVZJCLYEBTYKG-RISCZKNCSA-N 0 3 366.464 2.846 20 5 FFBDHN C[C@]1(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CN2CCC1CC2 ZINC000892768583 734601541 /nfs/dbraw/zinc/60/15/41/734601541.db2.gz KQFIYAVKAUEJEU-INIZCTEOSA-N 0 3 355.797 2.530 20 5 FFBDHN Cc1cccc(OS(=O)(=O)c2ccc(CN(C)C)cc2)c1[N+](=O)[O-] ZINC000788658676 739269401 /nfs/dbraw/zinc/26/94/01/739269401.db2.gz CAJFGKUHVKELMD-UHFFFAOYSA-N 0 3 350.396 2.733 20 5 FFBDHN CCOC(=O)C[C@@](C)(NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC000792881231 739714843 /nfs/dbraw/zinc/71/48/43/739714843.db2.gz YKMFHQOWSKZMEO-MRXNPFEDSA-N 0 3 353.375 2.961 20 5 FFBDHN CC(COC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1)[N+](=O)[O-] ZINC000813102574 741676988 /nfs/dbraw/zinc/67/69/88/741676988.db2.gz SGAZZABFWAPPEX-QMMMGPOBSA-N 0 3 350.249 2.619 20 5 FFBDHN CN(CCN1CCCCC1)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000824115090 743022428 /nfs/dbraw/zinc/02/24/28/743022428.db2.gz JBEVWQFYQLMBFW-UHFFFAOYSA-N 0 3 358.801 2.527 20 5 FFBDHN C[C@H](NC[C@@H](O)CCNC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000830173236 745317821 /nfs/dbraw/zinc/31/78/21/745317821.db2.gz WBTSSBDIEBZEQJ-WFASDCNBSA-N 0 3 353.419 2.521 20 5 FFBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000839440441 746828644 /nfs/dbraw/zinc/82/86/44/746828644.db2.gz SQPZAIWMWWHZDD-LLVKDONJSA-N 0 3 370.247 2.912 20 5 FFBDHN COc1ccc(Br)cc1C1(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000842364455 747579976 /nfs/dbraw/zinc/57/99/76/747579976.db2.gz YIWJMDSMHABMGN-SECBINFHSA-N 0 3 358.188 2.698 20 5 FFBDHN CCOP(=O)(OCC)[C@H](O)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000851869764 749711900 /nfs/dbraw/zinc/71/19/00/749711900.db2.gz QEJDXQPHHXPMQZ-HNNXBMFYSA-N 0 3 358.331 2.537 20 5 FFBDHN O=[N+]([O-])c1cc(CN(CCOCCO)C2CCC2)ccc1Br ZINC000852291343 749824864 /nfs/dbraw/zinc/82/48/64/749824864.db2.gz VLASREURMLMBGC-UHFFFAOYSA-N 0 3 373.247 2.721 20 5 FFBDHN Cc1ccc(CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000825655093 1013368565 /nfs/dbraw/zinc/36/85/65/1013368565.db2.gz IDLFYHWTNAZEEN-GOSISDBHSA-N 0 3 368.437 2.827 20 5 FFBDHN COC(=O)[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)[C@@H]([C@@H]2CCCO2)C1 ZINC000933181445 963676358 /nfs/dbraw/zinc/67/63/58/963676358.db2.gz QUJQXMHEDBSXKE-NXHRZFHOSA-N 0 3 362.426 2.570 20 5 FFBDHN Cc1cccc(CN(CCN(C)C)C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000825694087 1013621424 /nfs/dbraw/zinc/62/14/24/1013621424.db2.gz RDROGKVAKAFHJE-IBGZPJMESA-N 0 3 371.437 2.527 20 5 FFBDHN COC(=O)c1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1C ZINC000894078664 977656913 /nfs/dbraw/zinc/65/69/13/977656913.db2.gz KUPMHFLZUWEIIC-UHFFFAOYSA-N 0 3 358.398 2.723 20 5 FFBDHN Cc1c(C(=O)NCCN2CCCC[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000126244396 977997755 /nfs/dbraw/zinc/99/77/55/977997755.db2.gz OPTXAPGLTMZHHX-NSHDSACASA-N 0 3 364.402 2.724 20 5 FFBDHN COC(=O)c1coc(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000877699549 1014690032 /nfs/dbraw/zinc/69/00/32/1014690032.db2.gz OOJFGLIIORZLRC-UHFFFAOYSA-N 0 3 359.382 2.733 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000878530097 1015088130 /nfs/dbraw/zinc/08/81/30/1015088130.db2.gz PHZQBKOMOPAOFW-ZDUSSCGKSA-N 0 3 373.413 2.749 20 5 FFBDHN C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)CCN1Cc1ccccc1 ZINC000311652741 986485756 /nfs/dbraw/zinc/48/57/56/986485756.db2.gz UNZVYTPBQZCPSV-UGSOOPFHSA-N 0 3 354.410 2.570 20 5 FFBDHN CC[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cccc(OC)c1OC ZINC000879466541 1015550100 /nfs/dbraw/zinc/55/01/00/1015550100.db2.gz TUHDUANJXOONIQ-OAHLLOKOSA-N 0 3 361.398 2.515 20 5 FFBDHN COc1cccc(C(=O)[N-]c2c[nH+]ccc2-n2cc(C)cn2)c1[N+](=O)[O-] ZINC000194756883 990516562 /nfs/dbraw/zinc/51/65/62/990516562.db2.gz JZTUGKPWQJBUDQ-UHFFFAOYSA-N 0 3 353.338 2.745 20 5 FFBDHN Nc1ccc(OC[C@H]2CN(Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000809994748 994661266 /nfs/dbraw/zinc/66/12/66/994661266.db2.gz FVWRZHVFOKOFKG-QGZVFWFLSA-N 0 3 357.410 2.847 20 5 FFBDHN Cc1ccc([C@H](CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000823997419 996774019 /nfs/dbraw/zinc/77/40/19/996774019.db2.gz CMMZHFLUTLQZGN-KRWDZBQOSA-N 0 3 357.414 2.910 20 5 FFBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825389871 997333322 /nfs/dbraw/zinc/33/33/22/997333322.db2.gz VZPUTLMCUBYERC-BJZITVGISA-N 0 3 369.421 2.580 20 5 FFBDHN CCCCCCN(C)CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000731892162 998304283 /nfs/dbraw/zinc/30/42/83/998304283.db2.gz VTOJTYYNSRTUFV-UHFFFAOYSA-N 0 3 362.474 2.756 20 5 FFBDHN CC([C@H](OC(=O)[C@H]1CCc2cnn(C)c2C1)c1ccccc1F)[N+](=O)[O-] ZINC000845876290 998676824 /nfs/dbraw/zinc/67/68/24/998676824.db2.gz BTPYXEPSUIWVLD-PEBVRCNWSA-N 0 3 361.373 2.614 20 5 FFBDHN CC([C@H](OC(=O)[C@@H](C)NC(=O)OC(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845875106 998677194 /nfs/dbraw/zinc/67/71/94/998677194.db2.gz LOIILMJYMYKPFJ-GYSYKLTISA-N 0 3 370.377 2.988 20 5 FFBDHN C[C@H]1CCCN1CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000742241815 999766022 /nfs/dbraw/zinc/76/60/22/999766022.db2.gz XKIOTIQFGTXVPJ-INIZCTEOSA-N 0 3 363.461 2.755 20 5 FFBDHN COc1ccc(Cl)cc1N1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169037552 1000016762 /nfs/dbraw/zinc/01/67/62/1000016762.db2.gz SKMIGYVYUVHDAW-DZGCQCFKSA-N 0 3 353.850 2.916 20 5 FFBDHN COc1ccc(CNCCC(=O)Nc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000790124701 1002293992 /nfs/dbraw/zinc/29/39/92/1002293992.db2.gz QAYVAJIRMLBIHM-UHFFFAOYSA-N 0 3 372.425 2.788 20 5 FFBDHN COc1c(O)ccc(CNC[C@H](O)Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC001183641226 1002332918 /nfs/dbraw/zinc/33/29/18/1002332918.db2.gz ALFCBLYYMLUZHE-CQSZACIVSA-N 0 3 366.801 2.656 20 5 FFBDHN CCOC(=O)C1(CNCc2cc(OC)c(OC)cc2[N+](=O)[O-])CCCC1 ZINC000792197019 1002940827 /nfs/dbraw/zinc/94/08/27/1002940827.db2.gz ZJSQCGRWHKQLEN-UHFFFAOYSA-N 0 3 366.414 2.825 20 5 FFBDHN COc1ccc(C[C@H](C)N2CCC3(CCCC(=O)N3)CC2)c([N+](=O)[O-])c1 ZINC001170342418 1003130360 /nfs/dbraw/zinc/13/03/60/1003130360.db2.gz WLNGCGZBOTZTFY-AWEZNQCLSA-N 0 3 361.442 2.669 20 5 FFBDHN CCN(CCNC(=O)OC(C)(C)C)CCOc1cccc([N+](=O)[O-])c1 ZINC001196166622 1003692572 /nfs/dbraw/zinc/69/25/72/1003692572.db2.gz MNSJWVKMVWFBGO-UHFFFAOYSA-N 0 3 353.419 2.820 20 5 FFBDHN CC(C)(C)C(=O)NC[C@@H]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776582267 1005962679 /nfs/dbraw/zinc/96/26/79/1005962679.db2.gz NPGYJZFWJWALEB-YOEHRIQHSA-N 0 3 363.458 2.503 20 5 FFBDHN CN1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC12CCCCC2 ZINC000853656184 1006495321 /nfs/dbraw/zinc/49/53/21/1006495321.db2.gz KCRCTUFCNVJJMK-UHFFFAOYSA-N 0 3 358.442 2.934 20 5 FFBDHN Cc1noc(COC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000853898229 1006577025 /nfs/dbraw/zinc/57/70/25/1006577025.db2.gz GBBSORBSFYJULA-OAHLLOKOSA-N 0 3 359.382 2.847 20 5 FFBDHN C[C@H](NCc1cccc(N2CCOC2=O)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815563049 1006683901 /nfs/dbraw/zinc/68/39/01/1006683901.db2.gz SJYYGQYKISNMQL-LBPRGKRZSA-N 0 3 356.382 2.984 20 5 FFBDHN CN(C)CCN(CCc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000822613481 1008694693 /nfs/dbraw/zinc/69/46/93/1008694693.db2.gz QRQZFWGFLRBZKJ-UHFFFAOYSA-N 0 3 359.401 2.980 20 5 FFBDHN CN1CCN(CCNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1(C)C ZINC000861526559 1009453258 /nfs/dbraw/zinc/45/32/58/1009453258.db2.gz VPQXCQXZAJHZBJ-UHFFFAOYSA-N 0 3 370.453 2.504 20 5 FFBDHN O=C(N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21)c1c(F)cccc1[N+](=O)[O-] ZINC000714037330 1010068925 /nfs/dbraw/zinc/06/89/25/1010068925.db2.gz SDRDASTYCIQCAS-UOIKSKOESA-N 0 3 355.369 2.594 20 5 FFBDHN CN(C)c1cc(F)c(C(=O)NC[C@H]2CCN2C2CCCC2)cc1[N+](=O)[O-] ZINC000863031982 1010085806 /nfs/dbraw/zinc/08/58/06/1010085806.db2.gz KOOMDEYOQKXCAI-CYBMUJFWSA-N 0 3 364.421 2.547 20 5 FFBDHN O=[N+]([O-])c1cc(F)c(N2CCC(n3cnc4c3CNCC4)CC2)c(F)c1 ZINC001173009605 1012179855 /nfs/dbraw/zinc/17/98/55/1012179855.db2.gz FGYFNTPPIKHZAC-UHFFFAOYSA-N 0 3 363.368 2.557 20 5 FFBDHN CCCCC[C@H](N[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C(=O)NC ZINC001173176992 1012319538 /nfs/dbraw/zinc/31/95/38/1012319538.db2.gz AQTRBXINPQMMFQ-JSGCOSHPSA-N 0 3 369.437 2.958 20 5 FFBDHN CC(C)N1CCN(c2cccc(NC(=O)CCC(C)(C)[N+](=O)[O-])c2)CC1 ZINC000827623273 1018518675 /nfs/dbraw/zinc/51/86/75/1018518675.db2.gz CHHZXQBPMZXLDG-UHFFFAOYSA-N 0 3 362.474 2.991 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@](CO)(c3ccccc3)C2)cc1 ZINC000801581070 1019139721 /nfs/dbraw/zinc/13/97/21/1019139721.db2.gz ZKDRURBHKUPHMW-FQEVSTJZSA-N 0 3 356.422 3.000 20 5 FFBDHN COc1cc([C@@H](C)NCCNC(=O)c2ccccc2F)cc([N+](=O)[O-])c1 ZINC000903075367 1020665714 /nfs/dbraw/zinc/66/57/14/1020665714.db2.gz URVNSCXQLQNXFP-GFCCVEGCSA-N 0 3 361.373 2.823 20 5 FFBDHN CC(C)Cn1c([C@@H](C)[N+](=O)[O-])nnc1N1CCN(C2CCCCC2)CC1 ZINC001122822905 1023495762 /nfs/dbraw/zinc/49/57/62/1023495762.db2.gz JXCQYUCYTDIHJU-OAHLLOKOSA-N 0 3 364.494 2.727 20 5 FFBDHN COc1cc(O[C@H]2CC[C@H](C)[NH2+]C2)c2c(c1)oc1c([O-])ccc(O)c1c2=O ZINC001218399084 1033138309 /nfs/dbraw/zinc/13/83/09/1033138309.db2.gz NQJGJBMFGWZXDU-QWRGUYRKSA-N 0 3 371.389 2.885 20 5 FFBDHN COc1cc(CN(C)C)ccc1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC001141936658 1027187986 /nfs/dbraw/zinc/18/79/86/1027187986.db2.gz WGZTZRALAWWMNO-UHFFFAOYSA-N 0 3 361.402 2.764 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCN(CCCCCO)CC2)nc1-c1ccccc1 ZINC001163831302 1029082327 /nfs/dbraw/zinc/08/23/27/1029082327.db2.gz NXHDALDLNOGZKM-UHFFFAOYSA-N 0 3 370.453 2.941 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1NCCc1nc(-c3ccccc3)no1)CNC2 ZINC001164100961 1029174267 /nfs/dbraw/zinc/17/42/67/1029174267.db2.gz KMBZJHICBJFWKF-UHFFFAOYSA-N 0 3 351.366 2.903 20 5 FFBDHN O=[N+]([O-])c1cnc(Cl)nc1N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001165086691 1029374637 /nfs/dbraw/zinc/37/46/37/1029374637.db2.gz OAJMABLYWAEDDP-HIFRSBDPSA-N 0 3 359.817 2.749 20 5 FFBDHN COC(=O)c1cnc(N(C2CCCC2)C2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC001158487815 1029839822 /nfs/dbraw/zinc/83/98/22/1029839822.db2.gz DNJRDWWXZMINCG-UHFFFAOYSA-N 0 3 362.430 2.620 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1CO[C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001223942869 1033654582 /nfs/dbraw/zinc/65/45/82/1033654582.db2.gz DUYQVFMFGRPKCC-JCNLHEQBSA-N 0 3 350.415 2.763 20 5 FFBDHN COc1cc(N2CCC(Nc3ccc(CN)nc3)CC2)ccc1[N+](=O)[O-] ZINC001256103813 1038386081 /nfs/dbraw/zinc/38/60/81/1038386081.db2.gz ZTODLTSLGLQOEJ-UHFFFAOYSA-N 0 3 357.414 2.538 20 5 FFBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)OC(C)(C)C ZINC001254551513 1040793413 /nfs/dbraw/zinc/79/34/13/1040793413.db2.gz CMZMNSIBRJEHRP-MKVSYHDVSA-N 0 3 361.442 2.981 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](NCc1cc(OCC(F)(F)F)ncn1)C2 ZINC001254588213 1040819465 /nfs/dbraw/zinc/81/94/65/1040819465.db2.gz WOWAIYVPCLBUGO-GFCCVEGCSA-N 0 3 368.315 2.583 20 5 FFBDHN CC(C)N(C)Cc1cnc2n1CCN([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254595830 1040825450 /nfs/dbraw/zinc/82/54/50/1040825450.db2.gz NKATXSABTHLIGP-SFHVURJKSA-N 0 3 369.469 2.615 20 5 FFBDHN COc1ccc(-c2nc(-c3ccc(CN(C)C)cc3)no2)nc1[N+](=O)[O-] ZINC001213854318 1041000529 /nfs/dbraw/zinc/00/05/29/1041000529.db2.gz AJIMHXMNQMNATD-UHFFFAOYSA-N 0 3 355.354 2.777 20 5 FFBDHN COc1cc(C)c([N+](=O)[O-])cc1-c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001216953712 1042170088 /nfs/dbraw/zinc/17/00/88/1042170088.db2.gz WZJHUCLMFZKWIE-UHFFFAOYSA-N 0 3 367.365 2.670 20 5 FFBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H](CO)CC2CCOCC2)c1 ZINC001320934975 1045497721 /nfs/dbraw/zinc/49/77/21/1045497721.db2.gz NARVXHRFUBSAPG-CYBMUJFWSA-N 0 3 374.384 2.711 20 5 FFBDHN CCN1CCN(C[C@@H](C)CNc2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001331535493 1047990013 /nfs/dbraw/zinc/99/00/13/1047990013.db2.gz GWATXKDHEQRAOB-HNNXBMFYSA-N 0 3 357.458 2.829 20 5 FFBDHN COC(=O)CC1CC(NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC001332672575 1048500555 /nfs/dbraw/zinc/50/05/55/1048500555.db2.gz ANZHHCGZCIDQBT-UHFFFAOYSA-N 0 3 357.204 2.789 20 5 FFBDHN CN(CCCN1CCN(C)CC1)c1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001333897297 1049162379 /nfs/dbraw/zinc/16/23/79/1049162379.db2.gz HZRRJFQBJYHFOX-UHFFFAOYSA-N 0 3 360.380 2.687 20 5 FFBDHN Cc1cccc(CN2CC[C@H](NC(=O)Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC001301781738 1050981378 /nfs/dbraw/zinc/98/13/78/1050981378.db2.gz GYXDKEMSWCEWRH-SFHVURJKSA-N 0 3 353.422 2.836 20 5 FFBDHN Cc1ccc(CN2CC[C@H](NC(=O)COc3ccccc3[N+](=O)[O-])C2)cc1 ZINC001302725271 1051184781 /nfs/dbraw/zinc/18/47/81/1051184781.db2.gz RWIWFICDJPBEAV-KRWDZBQOSA-N 0 3 369.421 2.673 20 5 FFBDHN COC(=O)COc1ccc(CNCc2ccc3c(c2)CCC3)cc1[N+](=O)[O-] ZINC001343509467 1052273851 /nfs/dbraw/zinc/27/38/51/1052273851.db2.gz KXQHMRIYIJXDFO-UHFFFAOYSA-N 0 3 370.405 2.925 20 5 FFBDHN CCn1c([C@H](C)[N+](=O)[O-])nnc1N1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC001352452856 1055489170 /nfs/dbraw/zinc/48/91/70/1055489170.db2.gz LNRGNUHRTYRAJR-XHSDSOJGSA-N 0 3 372.473 2.735 20 5 FFBDHN O=C(c1cc2ccccc2c2cccnc12)N1CCC2(CC1)CNCCO2 ZINC001358308490 1056242163 /nfs/dbraw/zinc/24/21/63/1056242163.db2.gz ZGLBFZABGMHMFB-UHFFFAOYSA-N 0 3 361.445 2.983 20 5 FFBDHN Cn1cc(COC(=O)C2(C)CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])n1 ZINC000847785109 1056618717 /nfs/dbraw/zinc/61/87/17/1056618717.db2.gz FXVJUADJUQZNCU-UHFFFAOYSA-N 0 3 372.425 2.674 20 5 FFBDHN CC(C)N1CC[C@H](C(=O)Oc2cccc([N+](=O)[O-])c2)[C@H](c2cnn(C)c2)C1 ZINC000849487699 1056872564 /nfs/dbraw/zinc/87/25/64/1056872564.db2.gz FBLCPNPGHVWRPG-ROUUACIJSA-N 0 3 372.425 2.748 20 5 FFBDHN C[C@H](COC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCCC1 ZINC000847958869 1058518089 /nfs/dbraw/zinc/51/80/89/1058518089.db2.gz DLPOISXGTSAISF-CQSZACIVSA-N 0 3 358.398 2.812 20 5 FFBDHN C[C@H](C(=O)OC[C@@H]1CCN1C1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC001520069487 1059374549 /nfs/dbraw/zinc/37/45/49/1059374549.db2.gz RAYRNTCJXCILSU-WFASDCNBSA-N 0 3 366.389 2.634 20 5 FFBDHN COC(=O)[C@@H]1C[C@@H]1[C@@H](C)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001462547110 1061664785 /nfs/dbraw/zinc/66/47/85/1061664785.db2.gz DNKUMILCNNAMAE-GGZOMVNGSA-N 0 3 357.204 2.645 20 5 FFBDHN Cc1ccc(S(=O)(=O)NC[C@@H](C2CCCCC2)N(C)C)cc1[N+](=O)[O-] ZINC001474825199 1065618041 /nfs/dbraw/zinc/61/80/41/1065618041.db2.gz PAOYZEKPUSZMRZ-KRWDZBQOSA-N 0 3 369.487 2.692 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C1CCCCC1)N(C)C ZINC001474825073 1065618157 /nfs/dbraw/zinc/61/81/57/1065618157.db2.gz OIGUFLGZVBKRPC-MRXNPFEDSA-N 0 3 369.487 2.692 20 5 FFBDHN C[C@@H]1[C@H](C)NCCN1C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001576893247 1078284803 /nfs/dbraw/zinc/28/48/03/1078284803.db2.gz FEPLVHKWIHDOPK-NKWVEPMBSA-N 0 3 350.177 2.863 20 5 FFBDHN O=C(NC[C@@H]1NCCc2ccccc21)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC001580672575 1078846006 /nfs/dbraw/zinc/84/60/06/1078846006.db2.gz GZQSIVISUIPYDG-INIZCTEOSA-N 0 3 350.378 2.693 20 5 FFBDHN CCN1C[C@@H](NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C(C)(C)C1 ZINC001558525074 1076024753 /nfs/dbraw/zinc/02/47/53/1076024753.db2.gz GHTGNKLQQFKIGY-OAHLLOKOSA-N 0 3 367.471 2.785 20 5 FFBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1CCN(CC2CC2)C1 ZINC001559102560 1076126074 /nfs/dbraw/zinc/12/60/74/1076126074.db2.gz VQBKFXMZTGQVIX-NSHDSACASA-N 0 3 353.806 2.931 20 5 FFBDHN C[C@H](Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001589978294 1080917564 /nfs/dbraw/zinc/91/75/64/1080917564.db2.gz MCVLCTFSSBJPEB-JSGCOSHPSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@H](Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001589978294 1080917567 /nfs/dbraw/zinc/91/75/67/1080917567.db2.gz MCVLCTFSSBJPEB-JSGCOSHPSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@H](Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001589978294 1080917570 /nfs/dbraw/zinc/91/75/70/1080917570.db2.gz MCVLCTFSSBJPEB-JSGCOSHPSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@H](Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001589978294 1080917576 /nfs/dbraw/zinc/91/75/76/1080917576.db2.gz MCVLCTFSSBJPEB-JSGCOSHPSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(CCC(C)(C)C)CC1 ZINC000055935828 205226153 /nfs/dbraw/zinc/22/61/53/205226153.db2.gz SBESJKRJEPCFFS-OAHLLOKOSA-N 0 3 362.474 2.976 20 5 FFBDHN CCCCN1CCCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000109852445 206064290 /nfs/dbraw/zinc/06/42/90/206064290.db2.gz LTURZQSVKMNCCK-HNNXBMFYSA-N 0 3 355.460 2.528 20 5 FFBDHN O=C1CCCCN1CC1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000072663684 249773922 /nfs/dbraw/zinc/77/39/22/249773922.db2.gz WCFJNENZULLAPZ-UHFFFAOYSA-N 0 3 361.442 2.698 20 5 FFBDHN CC(C)C(=O)NC[C@@H]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000101908643 250093358 /nfs/dbraw/zinc/09/33/58/250093358.db2.gz KUIWGHRYBSFUQA-INIZCTEOSA-N 0 3 363.458 2.848 20 5 FFBDHN CCN1CCC[C@H]1CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000103186627 250138732 /nfs/dbraw/zinc/13/87/32/250138732.db2.gz FUSOFNMPZNRAJP-NSHDSACASA-N 0 3 353.444 2.539 20 5 FFBDHN CN(C)[C@H]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000105327883 250209199 /nfs/dbraw/zinc/20/91/99/250209199.db2.gz ZFHGJICRFAOWBH-AWEZNQCLSA-N 0 3 360.439 2.885 20 5 FFBDHN CN(C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000106363575 250266079 /nfs/dbraw/zinc/26/60/79/250266079.db2.gz CNAIVDUIEWZCCU-INIZCTEOSA-N 0 3 360.458 2.751 20 5 FFBDHN C[C@@H]1[C@H](C)SCCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000118419486 250385351 /nfs/dbraw/zinc/38/53/51/250385351.db2.gz BQEWRORZHSFFTD-NEPJUHHUSA-N 0 3 351.428 2.719 20 5 FFBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272569931 252070674 /nfs/dbraw/zinc/07/06/74/252070674.db2.gz TULDXKIZZVSERX-IUODEOHRSA-N 0 3 368.865 2.772 20 5 FFBDHN CC(=O)c1ccc(NCc2ccccc2CN2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000273196014 252247772 /nfs/dbraw/zinc/24/77/72/252247772.db2.gz NOYSJHLLKWSLCF-GOSISDBHSA-N 0 3 369.421 2.976 20 5 FFBDHN CC(C)(CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)CN1CCCC1 ZINC000276580694 256112103 /nfs/dbraw/zinc/11/21/03/256112103.db2.gz BYDPMKUWUAVFIN-UHFFFAOYSA-N 0 3 355.460 2.532 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000277354680 256188774 /nfs/dbraw/zinc/18/87/74/256188774.db2.gz GERDHQRSYLLNIH-HNNXBMFYSA-N 0 3 364.446 2.834 20 5 FFBDHN COc1cc(CNCCC[C@@H](C)O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000278573970 256326544 /nfs/dbraw/zinc/32/65/44/256326544.db2.gz DWSYPPZMHFPBGT-SNVBAGLBSA-N 0 3 366.336 2.795 20 5 FFBDHN CCc1n[nH]c(C(=O)N(Cc2ccccc2)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000278684752 256338081 /nfs/dbraw/zinc/33/80/81/256338081.db2.gz UMOFCEJORGRKSQ-UHFFFAOYSA-N 0 3 371.441 2.617 20 5 FFBDHN CCc1[nH]nc(C(=O)N(Cc2ccccc2)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000278684752 256338083 /nfs/dbraw/zinc/33/80/83/256338083.db2.gz UMOFCEJORGRKSQ-UHFFFAOYSA-N 0 3 371.441 2.617 20 5 FFBDHN Cc1nn(C)c(N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c1[N+](=O)[O-] ZINC000286260973 257028112 /nfs/dbraw/zinc/02/81/12/257028112.db2.gz GQKYKSJGPCETBL-LJQANCHMSA-N 0 3 355.442 2.739 20 5 FFBDHN Cc1cnn([C@@H]2CCN(CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000290053578 257313311 /nfs/dbraw/zinc/31/33/11/257313311.db2.gz XFUVCXKIRAKPLC-OAHLLOKOSA-N 0 3 357.414 2.684 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3CCCS(=O)(=O)C3)o2)cc1 ZINC000290157583 257318079 /nfs/dbraw/zinc/31/80/79/257318079.db2.gz POSAORDAKBEDFE-ZDUSSCGKSA-N 0 3 364.423 2.769 20 5 FFBDHN Cc1cc(N2CCC(CN3CCN(C)CC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000291008642 257372958 /nfs/dbraw/zinc/37/29/58/257372958.db2.gz UQTBFIORUQYVOW-UHFFFAOYSA-N 0 3 350.438 2.506 20 5 FFBDHN Cn1ccnc1C(=O)c1ccc(N[C@@H]2CCN3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000301231498 258035746 /nfs/dbraw/zinc/03/57/46/258035746.db2.gz FRJWWFZECXLSDQ-HZPDHXFCSA-N 0 3 369.425 2.598 20 5 FFBDHN CCc1ccc([C@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)N(C)C)cc1 ZINC000301940915 258076679 /nfs/dbraw/zinc/07/66/79/258076679.db2.gz UIZSNNNQGXXDAO-HNNXBMFYSA-N 0 3 354.414 2.915 20 5 FFBDHN CCN1C[C@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000330587739 258166267 /nfs/dbraw/zinc/16/62/67/258166267.db2.gz UATMFTKVUHIFKJ-NEPJUHHUSA-N 0 3 354.838 2.601 20 5 FFBDHN CCN1C[C@@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000330858437 258172200 /nfs/dbraw/zinc/17/22/00/258172200.db2.gz TUTXAFPTOUMJMD-VXGBXAGGSA-N 0 3 354.838 2.601 20 5 FFBDHN O=C(NC1CC(N2CCCCC2)C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000373004627 512128206 /nfs/dbraw/zinc/12/82/06/512128206.db2.gz WNSCYUGCKFCCAP-UHFFFAOYSA-N 0 3 369.425 2.527 20 5 FFBDHN CC(C)N1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000161340500 509104095 /nfs/dbraw/zinc/10/40/95/509104095.db2.gz XVFITMASNUQPND-HZMBPMFUSA-N 0 3 370.247 2.816 20 5 FFBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000065675139 506342959 /nfs/dbraw/zinc/34/29/59/506342959.db2.gz LRWSJRJSWLXWFO-GJZGRUSLSA-N 0 3 371.441 2.631 20 5 FFBDHN COc1cc(C[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)c([N+](=O)[O-])cc1[O-] ZINC000377246399 512183431 /nfs/dbraw/zinc/18/34/31/512183431.db2.gz TXGMBFGGTVVHRJ-AWEZNQCLSA-N 0 3 360.414 2.734 20 5 FFBDHN CCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000375209496 512212828 /nfs/dbraw/zinc/21/28/28/512212828.db2.gz FXZVIVXIMFUXBS-QGZVFWFLSA-N 0 3 354.410 2.726 20 5 FFBDHN C[C@H]1CCCN(C(C)(C)CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000053698824 506433289 /nfs/dbraw/zinc/43/32/89/506433289.db2.gz SVROPQDVIKZSNF-AWEZNQCLSA-N 0 3 369.487 2.525 20 5 FFBDHN O=C(NCCCN1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000054763327 506616807 /nfs/dbraw/zinc/61/68/07/506616807.db2.gz FNSRLKZQCBTVDA-UHFFFAOYSA-N 0 3 357.385 2.912 20 5 FFBDHN C[C@H]1CCCN(c2ccc(C(=O)NCCN(C)C3CC3)cc2[N+](=O)[O-])C1 ZINC000066924709 506696778 /nfs/dbraw/zinc/69/67/78/506696778.db2.gz MKINPQJPYYENHN-AWEZNQCLSA-N 0 3 360.458 2.655 20 5 FFBDHN COc1cc(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000043084472 506697620 /nfs/dbraw/zinc/69/76/20/506697620.db2.gz AWFLGCMRDCYZSJ-STQMWFEESA-N 0 3 365.430 2.605 20 5 FFBDHN C[C@@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCC[C@H]1C ZINC000067052668 506738398 /nfs/dbraw/zinc/73/83/98/506738398.db2.gz AMUZZHSQNJOKRY-CABCVRRESA-N 0 3 371.441 2.773 20 5 FFBDHN C[C@@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000043893369 506797948 /nfs/dbraw/zinc/79/79/48/506797948.db2.gz YVLAJYWKCWZAKZ-GJZGRUSLSA-N 0 3 363.462 2.569 20 5 FFBDHN CC(C)C[C@@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])N(C)C ZINC000068270690 507168775 /nfs/dbraw/zinc/16/87/75/507168775.db2.gz UQIYGMGOUWRIEE-HNNXBMFYSA-N 0 3 373.457 2.948 20 5 FFBDHN C[C@@H]1CCCN(CCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000047145500 507272962 /nfs/dbraw/zinc/27/29/62/507272962.db2.gz NAXRHTMFLZTZFN-MRXNPFEDSA-N 0 3 374.485 2.659 20 5 FFBDHN C[C@H]1CCCCN1CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000047142616 507273226 /nfs/dbraw/zinc/27/32/26/507273226.db2.gz NJUAWBQCDYHFFV-INIZCTEOSA-N 0 3 374.485 2.802 20 5 FFBDHN C[C@@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1C ZINC000069066683 507393826 /nfs/dbraw/zinc/39/38/26/507393826.db2.gz BPVXPQAVXJYHPG-GJZGRUSLSA-N 0 3 364.446 2.536 20 5 FFBDHN Nc1c(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc(F)cc1[N+](=O)[O-] ZINC000048312503 507499957 /nfs/dbraw/zinc/49/99/57/507499957.db2.gz IBOGOHGWKVKALQ-KRWDZBQOSA-N 0 3 372.400 2.883 20 5 FFBDHN C[C@@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCCC[C@@H]1C ZINC000049749595 507637217 /nfs/dbraw/zinc/63/72/17/507637217.db2.gz RHYXEHMYWZMXIX-GJZGRUSLSA-N 0 3 371.441 2.773 20 5 FFBDHN C[N@H+](CCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000028049756 507706795 /nfs/dbraw/zinc/70/67/95/507706795.db2.gz FLAGTCKBHCXWBN-UHFFFAOYSA-N 0 3 355.460 2.528 20 5 FFBDHN C[N@@H+](CCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000028049756 507706805 /nfs/dbraw/zinc/70/68/05/507706805.db2.gz FLAGTCKBHCXWBN-UHFFFAOYSA-N 0 3 355.460 2.528 20 5 FFBDHN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000051051066 507727555 /nfs/dbraw/zinc/72/75/55/507727555.db2.gz YRLXKXFDNLTPGN-HZPDHXFCSA-N 0 3 363.458 2.990 20 5 FFBDHN C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]3)cc2)C1 ZINC000072932660 507874315 /nfs/dbraw/zinc/87/43/15/507874315.db2.gz PVNXQBYEKJDGDI-ZDUSSCGKSA-N 0 3 358.398 2.896 20 5 FFBDHN C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]3)cc2)C1 ZINC000072932660 507874317 /nfs/dbraw/zinc/87/43/17/507874317.db2.gz PVNXQBYEKJDGDI-ZDUSSCGKSA-N 0 3 358.398 2.896 20 5 FFBDHN CNC(=O)c1ccc(N2CC[C@H](N(C)Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000078506447 507877833 /nfs/dbraw/zinc/87/78/33/507877833.db2.gz ARSUSXYKLIYTHI-KRWDZBQOSA-N 0 3 368.437 2.665 20 5 FFBDHN CCC[C@H](N[C@H]1CCc2nc(COC)nn2C1)c1cccc([N+](=O)[O-])c1 ZINC000090393701 507917289 /nfs/dbraw/zinc/91/72/89/507917289.db2.gz OKKVWFNDSLHZGO-HOCLYGCPSA-N 0 3 359.430 2.779 20 5 FFBDHN CCO[C@@H]1C[C@@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C12CCCCC2 ZINC000090550707 507926808 /nfs/dbraw/zinc/92/68/08/507926808.db2.gz ZBNMUCQQFWEKKQ-IAGOWNOFSA-N 0 3 363.458 2.816 20 5 FFBDHN C[C@H](NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000090914346 507939379 /nfs/dbraw/zinc/93/93/79/507939379.db2.gz PKRRSCKNVQNFPO-BEVDRBHNSA-N 0 3 355.438 2.881 20 5 FFBDHN C[C@@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000111475319 508102690 /nfs/dbraw/zinc/10/26/90/508102690.db2.gz LKCKBEAGPDCACX-INIZCTEOSA-N 0 3 370.453 2.957 20 5 FFBDHN CC(C)N(CCCN1C(=O)NC(C)(C)C1=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000098135242 508236409 /nfs/dbraw/zinc/23/64/09/508236409.db2.gz NNLAHPBQBTVBKO-UHFFFAOYSA-N 0 3 362.430 2.526 20 5 FFBDHN COc1cc(C(=O)N(CCN(C)C)Cc2cccs2)ccc1[N+](=O)[O-] ZINC000084250396 508271396 /nfs/dbraw/zinc/27/13/96/508271396.db2.gz PJBNSGCYZCUVSF-UHFFFAOYSA-N 0 3 363.439 2.869 20 5 FFBDHN CN(C)Cc1cccc(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000087035924 508333075 /nfs/dbraw/zinc/33/30/75/508333075.db2.gz HEGRBYPFGWVXDC-UHFFFAOYSA-N 0 3 368.437 2.924 20 5 FFBDHN CN(C)C[C@@H]1CCCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000104412480 508334435 /nfs/dbraw/zinc/33/44/35/508334435.db2.gz HTOQBXKCJYDADB-KRWDZBQOSA-N 0 3 374.485 2.754 20 5 FFBDHN C[C@H]1CN(CCCCNC(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000087496384 508353997 /nfs/dbraw/zinc/35/39/97/508353997.db2.gz JBERROLAONFJBL-HOTGVXAUSA-N 0 3 363.458 2.533 20 5 FFBDHN COc1ccc(-c2ccc(CNCCc3nc(C)no3)o2)c([N+](=O)[O-])c1 ZINC000105469353 508373359 /nfs/dbraw/zinc/37/33/59/508373359.db2.gz WLLWMQDGIMFNER-UHFFFAOYSA-N 0 3 358.354 2.887 20 5 FFBDHN COc1ccccc1C[C@H]1CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000116163520 508480786 /nfs/dbraw/zinc/48/07/86/508480786.db2.gz BALUMBFQKDXASZ-QGZVFWFLSA-N 0 3 369.421 2.909 20 5 FFBDHN CCN1CCC[C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116753275 508554882 /nfs/dbraw/zinc/55/48/82/508554882.db2.gz UCECSGNCYOHMAP-ZDUSSCGKSA-N 0 3 355.822 2.618 20 5 FFBDHN CN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCN(C)C1 ZINC000153476467 508587218 /nfs/dbraw/zinc/58/72/18/508587218.db2.gz AWTDMUQBEOMZNC-CYBMUJFWSA-N 0 3 355.822 2.570 20 5 FFBDHN CN(CCNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)Cc1ccccc1 ZINC000122846153 508595948 /nfs/dbraw/zinc/59/59/48/508595948.db2.gz UUXICDQYYUDEEN-UHFFFAOYSA-N 0 3 368.437 2.795 20 5 FFBDHN COc1cc(NCc2ccnc(OCCN(C)C)c2)c([N+](=O)[O-])cc1F ZINC000135381870 508596569 /nfs/dbraw/zinc/59/65/69/508596569.db2.gz CLFAZCADQXLEBA-UHFFFAOYSA-N 0 3 364.377 2.690 20 5 FFBDHN COCc1cc([N+](=O)[O-])ccc1NCc1ccnc(OCCN(C)C)c1 ZINC000135388340 508597593 /nfs/dbraw/zinc/59/75/93/508597593.db2.gz WZJAXGPRDOQFKX-UHFFFAOYSA-N 0 3 360.414 2.689 20 5 FFBDHN Cc1ccc(NC(=O)NCc2ccnc(OCCN(C)C)c2)cc1[N+](=O)[O-] ZINC000128537133 508607024 /nfs/dbraw/zinc/60/70/24/508607024.db2.gz QUWJJRQCUMGYAO-UHFFFAOYSA-N 0 3 373.413 2.560 20 5 FFBDHN Cc1sc(S(=O)(=O)[N-]Cc2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000123081563 508632851 /nfs/dbraw/zinc/63/28/51/508632851.db2.gz ZXWUXZIEROGVNM-UHFFFAOYSA-N 0 3 369.468 2.505 20 5 FFBDHN CCCCNC(=O)[C@H]1CC[C@@H](C)N(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000153774971 508645893 /nfs/dbraw/zinc/64/58/93/508645893.db2.gz TWUUVTZSDWJKBG-HFTRVMKXSA-N 0 3 363.458 2.645 20 5 FFBDHN COc1cc(CN[C@H](C)[C@@H](C)CO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000123216425 508653747 /nfs/dbraw/zinc/65/37/47/508653747.db2.gz MMDZLICPBRLMTO-VHSXEESVSA-N 0 3 366.336 2.651 20 5 FFBDHN CC(C)C[C@@H](CN(C)C)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000128962194 508664417 /nfs/dbraw/zinc/66/44/17/508664417.db2.gz BTPHKWUNBPLHDM-HNNXBMFYSA-N 0 3 373.457 2.701 20 5 FFBDHN COc1ccc(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000137485141 508758750 /nfs/dbraw/zinc/75/87/50/508758750.db2.gz OEGGFTCSDLVUIT-WMLDXEAASA-N 0 3 369.421 2.996 20 5 FFBDHN CN(C)CCn1ccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000159344888 508828217 /nfs/dbraw/zinc/82/82/17/508828217.db2.gz KVJGBDHWZDDSRH-UHFFFAOYSA-N 0 3 372.429 2.549 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000119769104 508859006 /nfs/dbraw/zinc/85/90/06/508859006.db2.gz AFZKVOPMXUGHAO-KXBFYZLASA-N 0 3 369.421 2.610 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000119971388 508901445 /nfs/dbraw/zinc/90/14/45/508901445.db2.gz YPQCUCYSMNWCHT-HNNXBMFYSA-N 0 3 364.446 2.786 20 5 FFBDHN O=C(NCCN1CCCCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000159890982 508907865 /nfs/dbraw/zinc/90/78/65/508907865.db2.gz PULVHFBMRJNVEB-UHFFFAOYSA-N 0 3 356.220 2.573 20 5 FFBDHN CCOC(=O)c1ccnc(N2CCC[C@H]2CN2CCCCC2)c1[N+](=O)[O-] ZINC000160440701 508987578 /nfs/dbraw/zinc/98/75/78/508987578.db2.gz GRNXWTWTIZZVHX-AWEZNQCLSA-N 0 3 362.430 2.621 20 5 FFBDHN CN(C)CCN(Cc1ccco1)C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000160968279 509054763 /nfs/dbraw/zinc/05/47/63/509054763.db2.gz KNCDTDRNVATFOX-UHFFFAOYSA-N 0 3 353.325 2.670 20 5 FFBDHN CN(C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000120858363 509077576 /nfs/dbraw/zinc/07/75/76/509077576.db2.gz SWEPWGIIYBXFLQ-LLVKDONJSA-N 0 3 356.220 2.524 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000151787570 509082564 /nfs/dbraw/zinc/08/25/64/509082564.db2.gz BYMUIIKQIIOLGS-OXQOHEQNSA-N 0 3 369.465 2.973 20 5 FFBDHN C[C@H](CN1CCCCC1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000161549413 509128000 /nfs/dbraw/zinc/12/80/00/509128000.db2.gz RYBZKSXVFPXOOQ-LLVKDONJSA-N 0 3 370.247 2.962 20 5 FFBDHN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NCCn1ccc([N+](=O)[O-])n1 ZINC000185629834 509273668 /nfs/dbraw/zinc/27/36/68/509273668.db2.gz HNRIRYBHDUHCPZ-VIFPVBQESA-N 0 3 360.340 2.518 20 5 FFBDHN CN(C)CCn1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000172924823 509310712 /nfs/dbraw/zinc/31/07/12/509310712.db2.gz DZVHFAOICAJVDM-UHFFFAOYSA-N 0 3 371.319 2.624 20 5 FFBDHN CN1CCC(N(Cc2ccccc2)C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000176125125 509334760 /nfs/dbraw/zinc/33/47/60/509334760.db2.gz FSOHPCSCMDFVGZ-UHFFFAOYSA-N 0 3 368.437 2.914 20 5 FFBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000267094592 509344159 /nfs/dbraw/zinc/34/41/59/509344159.db2.gz JDJFLUPTCZYXEQ-WBMJQRKESA-N 0 3 369.512 2.629 20 5 FFBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000267094584 509344272 /nfs/dbraw/zinc/34/42/72/509344272.db2.gz JDJFLUPTCZYXEQ-BLLLJJGKSA-N 0 3 369.512 2.629 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(c3ccc(Cl)cc3)CC2)c1 ZINC000185785856 509354562 /nfs/dbraw/zinc/35/45/62/509354562.db2.gz UMGORLCEDJOTTN-KRWDZBQOSA-N 0 3 364.833 2.685 20 5 FFBDHN COc1cc(CN[C@@H](CO)Cc2ccc(C)cc2)c([N+](=O)[O-])cc1OC ZINC000188985142 509354988 /nfs/dbraw/zinc/35/49/88/509354988.db2.gz JOWJXHGEZOQZEX-MRXNPFEDSA-N 0 3 360.410 2.614 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CN1C1CC1 ZINC000185837976 509378850 /nfs/dbraw/zinc/37/88/50/509378850.db2.gz JNIJYKWZJMJAOO-JQWIXIFHSA-N 0 3 352.822 2.673 20 5 FFBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)n1 ZINC000248683253 509434799 /nfs/dbraw/zinc/43/47/99/509434799.db2.gz XPNPTLODYMICHQ-HOCLYGCPSA-N 0 3 371.441 2.594 20 5 FFBDHN COc1ccc(OCCN(CCO)[C@@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000173386647 509567839 /nfs/dbraw/zinc/56/78/39/509567839.db2.gz ZPLRIMGHVVYNNN-GOSISDBHSA-N 0 3 372.421 2.964 20 5 FFBDHN O=C(C1CCN(C2CC2)CC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000192635170 509574427 /nfs/dbraw/zinc/57/44/27/509574427.db2.gz DDXIQXQIUYTRPB-UHFFFAOYSA-N 0 3 373.453 2.839 20 5 FFBDHN CCc1[nH]nc(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000192670312 509590662 /nfs/dbraw/zinc/59/06/62/509590662.db2.gz RBGRPZMLHRVXEL-HNNXBMFYSA-N 0 3 371.441 2.617 20 5 FFBDHN Cc1ccccc1NC(=O)CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173464051 509616381 /nfs/dbraw/zinc/61/63/81/509616381.db2.gz OVFAWLVXQXVXJX-HNNXBMFYSA-N 0 3 369.425 2.813 20 5 FFBDHN C[C@@H]1CN(CCCCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000176684767 509639744 /nfs/dbraw/zinc/63/97/44/509639744.db2.gz FWHNOCFGKZLXJD-CHWSQXEVSA-N 0 3 369.849 2.867 20 5 FFBDHN Cc1sc(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000176691750 509644471 /nfs/dbraw/zinc/64/44/71/509644471.db2.gz OHWXDTTTXFHECE-RYUDHWBXSA-N 0 3 355.460 2.584 20 5 FFBDHN CCc1n[nH]c(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000192904231 509692541 /nfs/dbraw/zinc/69/25/41/509692541.db2.gz ZIWXUWKQTWAGNV-INIZCTEOSA-N 0 3 373.457 2.767 20 5 FFBDHN C[C@@H]1CCCN(CCCCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000189681362 509700238 /nfs/dbraw/zinc/70/02/38/509700238.db2.gz PKMZWDXRBAQODC-CQSZACIVSA-N 0 3 369.487 2.922 20 5 FFBDHN Cc1ccc(NCCCNC(=O)[C@@H](CN)c2ccccc2)c([N+](=O)[O-])c1 ZINC000237667356 509705053 /nfs/dbraw/zinc/70/50/53/509705053.db2.gz VLXDXLXVIONSRX-INIZCTEOSA-N 0 3 356.426 2.564 20 5 FFBDHN C[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H](c1ccccc1)N(C)C ZINC000186493557 509738482 /nfs/dbraw/zinc/73/84/82/509738482.db2.gz HNTLQSQNYFOSAQ-KZULUSFZSA-N 0 3 367.409 2.892 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000268183524 509801781 /nfs/dbraw/zinc/80/17/81/509801781.db2.gz LXOGJEQWMGNUEF-RNCFNFMXSA-N 0 3 357.332 2.826 20 5 FFBDHN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[C@H](N(C)C)C3)cc2[N+](=O)[O-])C1 ZINC000170862894 509818486 /nfs/dbraw/zinc/81/84/86/509818486.db2.gz YKJFPKGKXKMEMA-UXLLHSPISA-N 0 3 374.485 2.853 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000193585159 509977628 /nfs/dbraw/zinc/97/76/28/509977628.db2.gz YHIYOSQAJDWGFP-CQSZACIVSA-N 0 3 357.414 2.835 20 5 FFBDHN CCN1CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000265392539 510029401 /nfs/dbraw/zinc/02/94/01/510029401.db2.gz UAYOZOGVFJVHCH-UHFFFAOYSA-N 0 3 355.822 2.571 20 5 FFBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000245671291 510073252 /nfs/dbraw/zinc/07/32/52/510073252.db2.gz SEENJAHVIIGCKP-KGLIPLIRSA-N 0 3 358.442 2.855 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCN2CCC(OC[C@H]3CCCO3)CC2)cc1 ZINC000177463627 510074633 /nfs/dbraw/zinc/07/46/33/510074633.db2.gz FYNWIEQQVYVGSA-GOSISDBHSA-N 0 3 350.415 2.634 20 5 FFBDHN O=[N+]([O-])c1ccc(CN2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000194078906 510205291 /nfs/dbraw/zinc/20/52/91/510205291.db2.gz SNHQXWXIHBPPGF-CXAGYDPISA-N 0 3 360.414 2.952 20 5 FFBDHN CCO[C@H]1C[C@@H](O)C12CCN(CCCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000265922832 510301650 /nfs/dbraw/zinc/30/16/50/510301650.db2.gz CDYHBVVPNCZSOU-MSOLQXFVSA-N 0 3 364.442 2.616 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCCc2ccc(OCCN(C)C)cc2)c1 ZINC000265991772 510345594 /nfs/dbraw/zinc/34/55/94/510345594.db2.gz BYCVSOSFVBWPGL-UHFFFAOYSA-N 0 3 371.437 2.816 20 5 FFBDHN C[C@H](NCC(=O)NC[C@H](c1ccccc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000184622163 510421933 /nfs/dbraw/zinc/42/19/33/510421933.db2.gz OEHKPWIMDFYBGN-HNAYVOBHSA-N 0 3 370.453 2.665 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H](CO)c1ccccc1 ZINC000269603267 510479047 /nfs/dbraw/zinc/47/90/47/510479047.db2.gz PZHPPRQTHFRHCJ-KRWDZBQOSA-N 0 3 373.409 2.597 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(N2CCN(CCN(C)Cc3ccccc3)CC2)n1 ZINC000178211901 510490645 /nfs/dbraw/zinc/49/06/45/510490645.db2.gz DJILBKLPFSURLN-UHFFFAOYSA-N 0 3 369.469 2.552 20 5 FFBDHN Nc1c(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)cc(F)cc1[N+](=O)[O-] ZINC000194747068 510509088 /nfs/dbraw/zinc/50/90/88/510509088.db2.gz CGYFZLBKCSDJKP-CQSZACIVSA-N 0 3 372.400 2.568 20 5 FFBDHN Cn1cc(CN[C@@H]2Cc3ccccc3[C@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000172068140 510525341 /nfs/dbraw/zinc/52/53/41/510525341.db2.gz YQROFCYSOMLZCR-UYAOXDASSA-N 0 3 364.405 2.743 20 5 FFBDHN CCN1CCC[C@@H]1CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000181847613 510624457 /nfs/dbraw/zinc/62/44/57/510624457.db2.gz AIKDKQZNPGVTLY-GFCCVEGCSA-N 0 3 357.863 2.941 20 5 FFBDHN Cc1c(Br)cc(C(=O)N2CCC[C@@H]2CN(C)C)cc1[N+](=O)[O-] ZINC000269979822 510626758 /nfs/dbraw/zinc/62/67/58/510626758.db2.gz NYQYMSPMTVTGCV-GFCCVEGCSA-N 0 3 370.247 2.832 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN(Cc1cccc(O)c1)CC1CC1 ZINC000181878818 510637895 /nfs/dbraw/zinc/63/78/95/510637895.db2.gz CYSGJSHNHDAWBN-GOSISDBHSA-N 0 3 372.421 2.952 20 5 FFBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000175485928 510661298 /nfs/dbraw/zinc/66/12/98/510661298.db2.gz VHTOIXULWLCRBU-AWEZNQCLSA-N 0 3 371.393 2.695 20 5 FFBDHN CN1CC[C@@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]1c1ccccc1 ZINC000270235560 510728234 /nfs/dbraw/zinc/72/82/34/510728234.db2.gz BEGHVEQKPREZPX-RTBURBONSA-N 0 3 369.421 2.996 20 5 FFBDHN Cc1nc2ccccc2n1C[C@@H]1CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000270345433 510771123 /nfs/dbraw/zinc/77/11/23/510771123.db2.gz OUDFUWBUHRXVJA-HNNXBMFYSA-N 0 3 354.414 2.614 20 5 FFBDHN Cc1cc(NC(=O)C2CCN(C3CC3)CC2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000195323186 510782781 /nfs/dbraw/zinc/78/27/81/510782781.db2.gz NDXRXTJNXMDDQK-UHFFFAOYSA-N 0 3 369.425 2.902 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@]3(C2)CCCN(C)C3)c1 ZINC000293865539 510879860 /nfs/dbraw/zinc/87/98/60/510879860.db2.gz DYYDZZXHUKZKGO-LJQANCHMSA-N 0 3 361.442 2.616 20 5 FFBDHN Cc1nc2sccn2c(=O)c1CCN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000285671832 511004279 /nfs/dbraw/zinc/00/42/79/511004279.db2.gz PVXXMMXWEJDRTI-NSHDSACASA-N 0 3 358.423 2.866 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270857512 511006493 /nfs/dbraw/zinc/00/64/93/511006493.db2.gz YVMYPUZVFGGTOT-SCLBCKFNSA-N 0 3 358.442 2.752 20 5 FFBDHN CN1CCC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C2)C1 ZINC000294301751 511019249 /nfs/dbraw/zinc/01/92/49/511019249.db2.gz VXPWFEPSJIVHDK-QGZVFWFLSA-N 0 3 369.368 2.754 20 5 FFBDHN Cc1noc(C2(C)CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000364699073 511027133 /nfs/dbraw/zinc/02/71/33/511027133.db2.gz VSPAFDCOZBILJK-UHFFFAOYSA-N 0 3 373.413 2.669 20 5 FFBDHN COc1cccc([C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])N2CCCC2)c1 ZINC000294334978 511030739 /nfs/dbraw/zinc/03/07/39/511030739.db2.gz KXLBENGTBNAAML-QGZVFWFLSA-N 0 3 363.458 2.784 20 5 FFBDHN COc1cc(C(=O)N(C)[C@@H](C)C2CCN(C)CC2)c([N+](=O)[O-])cc1F ZINC000297707991 511041296 /nfs/dbraw/zinc/04/12/96/511041296.db2.gz HYOLJKWHMYFYCE-NSHDSACASA-N 0 3 353.394 2.545 20 5 FFBDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000294567322 511106408 /nfs/dbraw/zinc/10/64/08/511106408.db2.gz JUDOKKZJVRGMKL-QGZVFWFLSA-N 0 3 362.474 2.730 20 5 FFBDHN CC(C)N1CCC[C@H](CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000294662530 511135545 /nfs/dbraw/zinc/13/55/45/511135545.db2.gz IIHNBOLXFBKVSS-OAHLLOKOSA-N 0 3 361.442 2.794 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@H](CO)c1ccccc1 ZINC000298045078 511155557 /nfs/dbraw/zinc/15/55/57/511155557.db2.gz HEJVMRZYQBOYAW-QGZVFWFLSA-N 0 3 373.409 2.597 20 5 FFBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@@H](C)CCN1CCN(C)CC1 ZINC000294836997 511193963 /nfs/dbraw/zinc/19/39/63/511193963.db2.gz AZMHLXFMAQOKKI-AWEZNQCLSA-N 0 3 373.457 2.590 20 5 FFBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)CS(=O)(=O)CC ZINC000271416937 511196950 /nfs/dbraw/zinc/19/69/50/511196950.db2.gz AZBPPPQOLBFYBB-STQMWFEESA-N 0 3 360.501 2.878 20 5 FFBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C)CS(=O)(=O)CC ZINC000271416933 511197095 /nfs/dbraw/zinc/19/70/95/511197095.db2.gz AZBPPPQOLBFYBB-OLZOCXBDSA-N 0 3 360.501 2.878 20 5 FFBDHN COC(=O)[C@@H]1CCO[C@H]1C1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000298306338 511241442 /nfs/dbraw/zinc/24/14/42/511241442.db2.gz PXAGEVLTKUUUAU-VHSSKADRSA-N 0 3 362.426 2.946 20 5 FFBDHN O=C(CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000295094784 511280605 /nfs/dbraw/zinc/28/06/05/511280605.db2.gz AJACJTKWMZWURP-LYRGGWFBSA-N 0 3 365.817 2.734 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000298443515 511286033 /nfs/dbraw/zinc/28/60/33/511286033.db2.gz ZGPRYQKXWPXMBA-GOEBONIOSA-N 0 3 369.368 2.909 20 5 FFBDHN Cc1c(NC(=O)CCN2CCC(n3cccn3)CC2)cccc1[N+](=O)[O-] ZINC000365164459 511293394 /nfs/dbraw/zinc/29/33/94/511293394.db2.gz ULBWVLIYKIDZMS-UHFFFAOYSA-N 0 3 357.414 2.765 20 5 FFBDHN COc1cccc(C2(NC[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000271741502 511307327 /nfs/dbraw/zinc/30/73/27/511307327.db2.gz VZRYLVYRAZDXMF-INIZCTEOSA-N 0 3 358.394 2.622 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(CN(C)C)cc1 ZINC000298581138 511337184 /nfs/dbraw/zinc/33/71/84/511337184.db2.gz JOUICYQFHILSNO-UHFFFAOYSA-N 0 3 370.409 2.850 20 5 FFBDHN CC(C)N1CCCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000292315863 511550121 /nfs/dbraw/zinc/55/01/21/511550121.db2.gz BAGHCSVVTUIPIM-CYBMUJFWSA-N 0 3 368.865 2.991 20 5 FFBDHN CCC(=O)c1ccc(N2CCC(CN3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000280745273 511585696 /nfs/dbraw/zinc/58/56/96/511585696.db2.gz OWEUSIFWCXHBRG-UHFFFAOYSA-N 0 3 361.442 2.736 20 5 FFBDHN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000299344284 511600463 /nfs/dbraw/zinc/60/04/63/511600463.db2.gz NKLLMNRJRDZSMG-UHFFFAOYSA-N 0 3 354.410 2.586 20 5 FFBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000273846512 511629577 /nfs/dbraw/zinc/62/95/77/511629577.db2.gz GTYXDUFQMOSIBD-DYVFJYSZSA-N 0 3 363.433 2.954 20 5 FFBDHN Cc1ccc(C2CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000363652529 511683132 /nfs/dbraw/zinc/68/31/32/511683132.db2.gz QEIPPXDAKOUSPS-GOSISDBHSA-N 0 3 371.437 2.918 20 5 FFBDHN CN(C(=O)[C@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000281180436 511748926 /nfs/dbraw/zinc/74/89/26/511748926.db2.gz QUBBSDCGTJHGGV-LPHOPBHVSA-N 0 3 369.421 2.613 20 5 FFBDHN CC(C)c1n[nH]c(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000274326639 511795505 /nfs/dbraw/zinc/79/55/05/511795505.db2.gz YUTFYRKOGVUFPL-HIFRSBDPSA-N 0 3 371.441 2.692 20 5 FFBDHN COC(=O)COc1ccc([C@H](C)NC[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000274417660 511827792 /nfs/dbraw/zinc/82/77/92/511827792.db2.gz DBTVUEQTIUBJBK-SCLBCKFNSA-N 0 3 374.393 2.531 20 5 FFBDHN O=[N+]([O-])c1ccc(CCN2CCC(c3nnc4n3CCCC4)CC2)cc1 ZINC000274953050 511998155 /nfs/dbraw/zinc/99/81/55/511998155.db2.gz HLKFTKNWINDTCJ-UHFFFAOYSA-N 0 3 355.442 2.945 20 5 FFBDHN CN1CCC[C@]2(CCN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)C2)C1 ZINC000297071336 512008213 /nfs/dbraw/zinc/00/82/13/512008213.db2.gz AGPKMHIWWSEWIO-KRWDZBQOSA-N 0 3 366.849 2.876 20 5 FFBDHN CC(C)N1CCN([C@H]2CCN(c3nc4ccccc4cc3[N+](=O)[O-])C2)CC1 ZINC000364315671 512082483 /nfs/dbraw/zinc/08/24/83/512082483.db2.gz KCMIIVGNSBPJKZ-KRWDZBQOSA-N 0 3 369.469 2.748 20 5 FFBDHN CN(C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000411150600 512492726 /nfs/dbraw/zinc/49/27/26/512492726.db2.gz AHHDHSIQMSPPAP-SLFFLAALSA-N 0 3 367.449 2.987 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@H](C)N2CCC[C@@H](C)C2)c1F ZINC000411414770 512624613 /nfs/dbraw/zinc/62/46/13/512624613.db2.gz BZAGILSBMDUUDV-OLZOCXBDSA-N 0 3 367.421 2.522 20 5 FFBDHN Cc1ccc([C@H](C)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)cc1[N+](=O)[O-] ZINC000376055240 512637649 /nfs/dbraw/zinc/63/76/49/512637649.db2.gz IWLNJGIGRNMZKM-DZGCQCFKSA-N 0 3 367.471 2.510 20 5 FFBDHN Cc1ccc(CN(CCO)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000411506018 512666924 /nfs/dbraw/zinc/66/69/24/512666924.db2.gz PBCMRMMUDGPJKB-UHFFFAOYSA-N 0 3 357.410 2.726 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000372018486 512681251 /nfs/dbraw/zinc/68/12/51/512681251.db2.gz WQRIHMSFWMHOOC-OAHLLOKOSA-N 0 3 355.394 2.873 20 5 FFBDHN COC(=O)c1cc(C)nc(N2CCCC[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000376207069 512709388 /nfs/dbraw/zinc/70/93/88/512709388.db2.gz BFCGZUWDBOWWEK-CQSZACIVSA-N 0 3 362.430 2.540 20 5 FFBDHN O=[N+]([O-])c1cn(C[C@@H]2CN(Cc3ccccc3)CCCO2)nc1C1CC1 ZINC000370278487 512856497 /nfs/dbraw/zinc/85/64/97/512856497.db2.gz GTPSTOXTCDDWOI-KRWDZBQOSA-N 0 3 356.426 2.960 20 5 FFBDHN CO[C@@](C)([C@H](C)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000411979069 512899901 /nfs/dbraw/zinc/89/99/01/512899901.db2.gz ZOHDNYSWLSHERZ-QFYYESIMSA-N 0 3 355.822 2.980 20 5 FFBDHN COc1cc(C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)ccc1[N+](=O)[O-] ZINC000370505562 512968467 /nfs/dbraw/zinc/96/84/67/512968467.db2.gz VREVHJLUNHCWDO-CQSZACIVSA-N 0 3 371.393 2.573 20 5 FFBDHN C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000408217946 513024032 /nfs/dbraw/zinc/02/40/32/513024032.db2.gz GOKMZJJVMQWLQY-IIAWOOMASA-N 0 3 367.471 2.621 20 5 FFBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000445882841 513137871 /nfs/dbraw/zinc/13/78/71/513137871.db2.gz ARCLBQHASRDIHD-CABCVRRESA-N 0 3 360.458 2.783 20 5 FFBDHN CC(C)[C@H](CC(F)(F)F)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000445903362 513144493 /nfs/dbraw/zinc/14/44/93/513144493.db2.gz LANCQLDUPXTXHR-ZDUSSCGKSA-N 0 3 368.377 2.935 20 5 FFBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC(OCCN(C)C)CC1 ZINC000450329489 513145872 /nfs/dbraw/zinc/14/58/72/513145872.db2.gz LJJKXHYICTUMQG-UHFFFAOYSA-N 0 3 374.441 2.699 20 5 FFBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450487110 513216678 /nfs/dbraw/zinc/21/66/78/513216678.db2.gz UGYFAKVEBWKTGP-CQSZACIVSA-N 0 3 371.441 2.583 20 5 FFBDHN C[C@H](c1ccccc1)[C@@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450566528 513252967 /nfs/dbraw/zinc/25/29/67/513252967.db2.gz KXYFLUQDTWFPPN-KYJSFNMBSA-N 0 3 356.426 2.641 20 5 FFBDHN O=C(NC[C@H]1CCCCN1C1CC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000434424052 513319979 /nfs/dbraw/zinc/31/99/79/513319979.db2.gz HLZVUZVVBVCJAP-QGZVFWFLSA-N 0 3 369.425 2.527 20 5 FFBDHN COc1cc(C(=O)N[C@@H](C)CN2CCCCCC2)c([N+](=O)[O-])cc1F ZINC000450749246 513323884 /nfs/dbraw/zinc/32/38/84/513323884.db2.gz YOWWGXCINQACOA-LBPRGKRZSA-N 0 3 353.394 2.737 20 5 FFBDHN CC(=O)N1CCCN(C[C@H]2CCCN(c3cc(C)ccc3[N+](=O)[O-])C2)CC1 ZINC000450763648 513330711 /nfs/dbraw/zinc/33/07/11/513330711.db2.gz BMADGVXORXGSOH-GOSISDBHSA-N 0 3 374.485 2.674 20 5 FFBDHN Cc1c(NC(=O)[C@@H](C)N[C@H]2Cc3cccc(O)c3C2)cccc1[N+](=O)[O-] ZINC000429312977 513336275 /nfs/dbraw/zinc/33/62/75/513336275.db2.gz PJIGRJNKGOWWMB-OCCSQVGLSA-N 0 3 355.394 2.693 20 5 FFBDHN CCN1CCN(C[C@@H](C)CNc2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413087958 513436400 /nfs/dbraw/zinc/43/64/00/513436400.db2.gz ZYWYIKLORGZCJF-HNNXBMFYSA-N 0 3 357.458 2.829 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415898798 513467474 /nfs/dbraw/zinc/46/74/74/513467474.db2.gz RQACFSXUELRJRX-UHFFFAOYSA-N 0 3 356.382 2.571 20 5 FFBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2cccnc2-n2cccn2)n1 ZINC000447550484 513504735 /nfs/dbraw/zinc/50/47/35/513504735.db2.gz NIICQJXXHWNNRD-HZPDHXFCSA-N 0 3 367.413 2.646 20 5 FFBDHN N[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000418428471 513505661 /nfs/dbraw/zinc/50/56/61/513505661.db2.gz MJWHXTJERPDTMS-QGZVFWFLSA-N 0 3 354.410 2.969 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C1CCOCC1)C1(CO)CCC1 ZINC000425532326 513624523 /nfs/dbraw/zinc/62/45/23/513624523.db2.gz BNCYNOHYZGLFDA-SFHVURJKSA-N 0 3 364.442 2.651 20 5 FFBDHN O=[N+]([O-])c1ccc2[nH]c(CN[C@H](C3CCOCC3)C3(CO)CCC3)nc2c1 ZINC000425552468 513636666 /nfs/dbraw/zinc/63/66/66/513636666.db2.gz ZHJZMPCCDVDVMG-GOSISDBHSA-N 0 3 374.441 2.519 20 5 FFBDHN CN(C)Cc1cccc(NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000436104622 513761290 /nfs/dbraw/zinc/76/12/90/513761290.db2.gz SNCHMWWCNPXSAQ-UHFFFAOYSA-N 0 3 368.397 2.854 20 5 FFBDHN CC(C)[C@H](CNc1ccc([N+](=O)[O-])c2ncccc12)N1CCN(C)CC1 ZINC000448545592 513778188 /nfs/dbraw/zinc/77/81/88/513778188.db2.gz GJLCIDFBSRHQDA-SFHVURJKSA-N 0 3 357.458 2.827 20 5 FFBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H]2C[C@@](C)(OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451485180 513780673 /nfs/dbraw/zinc/78/06/73/513780673.db2.gz IGXBZJLRJCUXCA-BKGUAONASA-N 0 3 365.430 2.724 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCSC[C@@H]2C2CCC2)c1 ZINC000419363168 513789025 /nfs/dbraw/zinc/78/90/25/513789025.db2.gz OPPSIOBOAPLGPR-DOTOQJQBSA-N 0 3 352.456 2.552 20 5 FFBDHN COc1ccc(NC(=O)CN[C@H]2C[C@H](OC(C)C)C2(C)C)c([N+](=O)[O-])c1 ZINC000451499174 513789946 /nfs/dbraw/zinc/78/99/46/513789946.db2.gz MMHVUUCCXXOWRD-HOTGVXAUSA-N 0 3 365.430 2.724 20 5 FFBDHN COc1cc(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000448695984 513849583 /nfs/dbraw/zinc/84/95/83/513849583.db2.gz CKYZXQHPJIUYHN-NWDGAFQWSA-N 0 3 353.394 2.735 20 5 FFBDHN COC(=O)[C@@H]1CCCC[C@@H]1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000451589154 513851864 /nfs/dbraw/zinc/85/18/64/513851864.db2.gz UCYHUEQLNACRHK-NFAWXSAZSA-N 0 3 363.414 2.552 20 5 FFBDHN CC(C)[C@@H](CO)[C@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C ZINC000451604326 513861502 /nfs/dbraw/zinc/86/15/02/513861502.db2.gz YKIJCUALSYEWFN-IAOVAPTHSA-N 0 3 351.447 2.801 20 5 FFBDHN CC(C)(C(=O)NCCNc1ccc([N+](=O)[O-])cc1)[C@@H](N)c1ccccc1 ZINC000422933871 513981689 /nfs/dbraw/zinc/98/16/89/513981689.db2.gz IOYNWERPQFTBFL-KRWDZBQOSA-N 0 3 356.426 2.849 20 5 FFBDHN CN(C)CC[C@](C)(O)CNC(=O)c1cc2ccccc2c2cccnc12 ZINC000420044645 514007691 /nfs/dbraw/zinc/00/76/91/514007691.db2.gz PXYXBGCRWDLRDS-NRFANRHFSA-N 0 3 351.450 2.821 20 5 FFBDHN CN1CCC[C@H](NC[C@H](O)COc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000451860373 514027614 /nfs/dbraw/zinc/02/76/14/514027614.db2.gz DPLXGRGUSHFTOG-LPHOPBHVSA-N 0 3 371.437 2.895 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@]2(CCSC2)C1 ZINC000451964046 514098441 /nfs/dbraw/zinc/09/84/41/514098441.db2.gz INIZLDDUQJSHHO-WMLDXEAASA-N 0 3 352.456 2.554 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)c1 ZINC000423602411 514178806 /nfs/dbraw/zinc/17/88/06/514178806.db2.gz DBFGLNSQGRMLQZ-DLBZAZTESA-N 0 3 355.394 2.560 20 5 FFBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](CO)c1ccc(F)cc1 ZINC000449380237 514187096 /nfs/dbraw/zinc/18/70/96/514187096.db2.gz MIGMHSJNBFDAFL-SJCJKPOMSA-N 0 3 361.373 2.774 20 5 FFBDHN CSc1cccc(C(=O)NCCCN2CCCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000432573649 514231001 /nfs/dbraw/zinc/23/10/01/514231001.db2.gz GKWOUSYNLCIKGG-ZDUSSCGKSA-N 0 3 367.471 2.547 20 5 FFBDHN CC(C)[C@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCCCC1 ZINC000444628033 514278186 /nfs/dbraw/zinc/27/81/86/514278186.db2.gz BYNQITCHXPAPHV-QGZVFWFLSA-N 0 3 359.430 2.598 20 5 FFBDHN NC[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CCCC1 ZINC000423950521 514303225 /nfs/dbraw/zinc/30/32/25/514303225.db2.gz YNDYWBOUCUYDPN-SFHVURJKSA-N 0 3 363.461 2.788 20 5 FFBDHN C[C@@H](CN1CCCCC1)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000427906047 514344008 /nfs/dbraw/zinc/34/40/08/514344008.db2.gz RCXJRCBPSBCNQI-AWEZNQCLSA-N 0 3 372.425 2.512 20 5 FFBDHN COc1ccc([C@H](CNc2ncc([N+](=O)[O-])c(C)n2)N2CCCC2)cc1 ZINC000450212561 514544845 /nfs/dbraw/zinc/54/48/45/514544845.db2.gz DFITVEDAMGCZQB-KRWDZBQOSA-N 0 3 357.414 2.951 20 5 FFBDHN COc1cc(C(=O)N(CCN(C)C)Cc2ccsc2)ccc1[N+](=O)[O-] ZINC000458206375 514626446 /nfs/dbraw/zinc/62/64/46/514626446.db2.gz UNBIUIGKIFMKJL-UHFFFAOYSA-N 0 3 363.439 2.869 20 5 FFBDHN CCN(CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)c1cccc(OC)c1 ZINC000497769881 514631007 /nfs/dbraw/zinc/63/10/07/514631007.db2.gz ZZXIUIQNJDWTQT-QGZVFWFLSA-N 0 3 374.441 2.755 20 5 FFBDHN CCCN(CCN1CCCC1)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000484329626 514633690 /nfs/dbraw/zinc/63/36/90/514633690.db2.gz JFKZNKJRKBBAOV-UHFFFAOYSA-N 0 3 364.446 2.621 20 5 FFBDHN CN(C)CCOc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1F ZINC000458324639 514710517 /nfs/dbraw/zinc/71/05/17/514710517.db2.gz SUBKEMABCXRBDL-UHFFFAOYSA-N 0 3 361.373 2.856 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CCN(c2ccncc2OC)CC1 ZINC000475630191 514741453 /nfs/dbraw/zinc/74/14/53/514741453.db2.gz YDWVONYBPUDPHX-UHFFFAOYSA-N 0 3 372.425 2.719 20 5 FFBDHN COc1ccc(NC(=O)CCN(C)Cc2cccc(C)n2)c([N+](=O)[O-])c1 ZINC000471197374 514792299 /nfs/dbraw/zinc/79/22/99/514792299.db2.gz WXENXQOCYYDVTP-UHFFFAOYSA-N 0 3 358.398 2.767 20 5 FFBDHN CNC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000498362953 514881529 /nfs/dbraw/zinc/88/15/29/514881529.db2.gz HQTRDXIFFJZDIR-ZBFHGGJFSA-N 0 3 373.409 2.868 20 5 FFBDHN Cc1sc(S(=O)(=O)N(C)CCN(C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000467067834 514884899 /nfs/dbraw/zinc/88/48/99/514884899.db2.gz HDYPNZDDGTVYCI-UHFFFAOYSA-N 0 3 363.505 2.704 20 5 FFBDHN CCN1CCC[C@H](CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000480511652 514984046 /nfs/dbraw/zinc/98/40/46/514984046.db2.gz MILYCYVXEZVTNI-CQSZACIVSA-N 0 3 371.441 2.703 20 5 FFBDHN COc1cccc([C@@H](CNc2ncnc3cccc([N+](=O)[O-])c32)N(C)C)c1 ZINC000509071666 515011714 /nfs/dbraw/zinc/01/17/14/515011714.db2.gz XYFBSSPCZUAWKW-QGZVFWFLSA-N 0 3 367.409 2.683 20 5 FFBDHN NC1(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCCC1 ZINC000489948932 515044053 /nfs/dbraw/zinc/04/40/53/515044053.db2.gz TVOJOKGIYDAISG-UHFFFAOYSA-N 0 3 374.363 2.803 20 5 FFBDHN Cc1ccc(C)c(S(=O)(=O)NCCN(C)C2CCCCC2)c1[N+](=O)[O-] ZINC000481020513 515175291 /nfs/dbraw/zinc/17/52/91/515175291.db2.gz HNNUJCZKSDPWHA-UHFFFAOYSA-N 0 3 369.487 2.754 20 5 FFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000481057237 515189687 /nfs/dbraw/zinc/18/96/87/515189687.db2.gz KGXDYLUPCCJQCX-CABCVRRESA-N 0 3 369.487 2.705 20 5 FFBDHN CN1CC=C(CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 ZINC000462700108 515196533 /nfs/dbraw/zinc/19/65/33/515196533.db2.gz KPRSKVDDWKEQGL-UHFFFAOYSA-N 0 3 354.410 2.665 20 5 FFBDHN C[C@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@H](C)C1 ZINC000485824624 515204859 /nfs/dbraw/zinc/20/48/59/515204859.db2.gz ZWSLRBVJPVKRQN-NWDGAFQWSA-N 0 3 355.385 2.652 20 5 FFBDHN Cc1ccc([C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000499134680 515214226 /nfs/dbraw/zinc/21/42/26/515214226.db2.gz ORBDOMDCGXZSNJ-KRWDZBQOSA-N 0 3 357.410 2.701 20 5 FFBDHN CNc1c(C(=O)NCC2CCN(c3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000462763229 515228667 /nfs/dbraw/zinc/22/86/67/515228667.db2.gz QXHBMXRWXYTLSE-UHFFFAOYSA-N 0 3 369.425 2.678 20 5 FFBDHN CO[C@H](c1ccccc1Cl)[C@H](C)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000481513038 515355864 /nfs/dbraw/zinc/35/58/64/515355864.db2.gz CXZNWUXSHLZQDI-SJCJKPOMSA-N 0 3 365.817 2.776 20 5 FFBDHN CCN(CCNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000454467911 515510468 /nfs/dbraw/zinc/51/04/68/515510468.db2.gz NQZGXQRZFVUUCW-MRXNPFEDSA-N 0 3 360.458 2.968 20 5 FFBDHN COc1cccc([C@H]2[C@H](NC(=O)c3ccc([N+](=O)[O-])[n-]3)CC[N@@H+]2C2CC2)c1 ZINC000482047139 515557793 /nfs/dbraw/zinc/55/77/93/515557793.db2.gz WAZRZHZECOTURE-QAPCUYQASA-N 0 3 370.409 2.639 20 5 FFBDHN COc1cccc([C@H]2[C@H](NC(=O)c3ccc([N+](=O)[O-])[n-]3)CC[N@H+]2C2CC2)c1 ZINC000482047139 515557802 /nfs/dbraw/zinc/55/78/02/515557802.db2.gz WAZRZHZECOTURE-QAPCUYQASA-N 0 3 370.409 2.639 20 5 FFBDHN COc1cc(CN2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)ccc1[N+](=O)[O-] ZINC000492784580 515563639 /nfs/dbraw/zinc/56/36/39/515563639.db2.gz PWSPYDIGIGEIHR-AWEZNQCLSA-N 0 3 357.414 2.979 20 5 FFBDHN COc1cc(CN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)ccc1[N+](=O)[O-] ZINC000492784580 515563647 /nfs/dbraw/zinc/56/36/47/515563647.db2.gz PWSPYDIGIGEIHR-AWEZNQCLSA-N 0 3 357.414 2.979 20 5 FFBDHN C[C@@H](CO)N1CCCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000468969811 515606919 /nfs/dbraw/zinc/60/69/19/515606919.db2.gz LWDBXBLRAASLIB-HNNXBMFYSA-N 0 3 356.426 2.550 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000500279382 515654093 /nfs/dbraw/zinc/65/40/93/515654093.db2.gz JZDUQWUSEYCYKG-UHFFFAOYSA-N 0 3 359.382 2.796 20 5 FFBDHN C[C@H](CNC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)N(C)C ZINC000500300492 515660251 /nfs/dbraw/zinc/66/02/51/515660251.db2.gz AXWRYJNSGIOINR-QLFBSQMISA-N 0 3 362.474 2.757 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC1CCN(Cc2ccccn2)CC1 ZINC000482508956 515701757 /nfs/dbraw/zinc/70/17/57/515701757.db2.gz KLDXRFWDNNIOMX-UHFFFAOYSA-N 0 3 356.426 2.753 20 5 FFBDHN COc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000494006104 515711744 /nfs/dbraw/zinc/71/17/44/515711744.db2.gz GEEPOXXILYVORV-YOEHRIQHSA-N 0 3 369.421 2.996 20 5 FFBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000511097191 515779404 /nfs/dbraw/zinc/77/94/04/515779404.db2.gz UKLAZQNFEYZEJD-UHFFFAOYSA-N 0 3 372.812 2.931 20 5 FFBDHN C[C@@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@@H](C)C1 ZINC000478526955 515858561 /nfs/dbraw/zinc/85/85/61/515858561.db2.gz DZEOGBAEUHENHF-CABCVRRESA-N 0 3 371.441 2.631 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CCN1CCCC1 ZINC000487554990 515904401 /nfs/dbraw/zinc/90/44/01/515904401.db2.gz GRRHPRKDDNACBV-LBPRGKRZSA-N 0 3 355.822 2.570 20 5 FFBDHN Cc1ccsc1[C@H](CO)NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000494644839 515905785 /nfs/dbraw/zinc/90/57/85/515905785.db2.gz FAKJRKAXUSRPII-HNNXBMFYSA-N 0 3 363.439 2.925 20 5 FFBDHN C[C@H]1CCCN1C(=O)CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464782930 515956037 /nfs/dbraw/zinc/95/60/37/515956037.db2.gz CQWGGSBLMBIAHN-HNNXBMFYSA-N 0 3 361.442 2.839 20 5 FFBDHN CN(CCNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])C1CC1 ZINC000495107393 516066727 /nfs/dbraw/zinc/06/67/27/516066727.db2.gz YTUZILTYQKOKCR-UHFFFAOYSA-N 0 3 369.421 2.998 20 5 FFBDHN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000460208857 516068822 /nfs/dbraw/zinc/06/88/22/516068822.db2.gz HPXRHCGOIZWVCR-KGLIPLIRSA-N 0 3 358.446 2.792 20 5 FFBDHN CN(C)CCOc1cnccc1CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000488075264 516107836 /nfs/dbraw/zinc/10/78/36/516107836.db2.gz OKJCIHPTDJAUEP-UHFFFAOYSA-N 0 3 367.409 2.512 20 5 FFBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000501450764 516108268 /nfs/dbraw/zinc/10/82/68/516108268.db2.gz XFZSNUSJUBUSDO-GJZGRUSLSA-N 0 3 358.442 2.786 20 5 FFBDHN C[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CCN1C1CCN(C)CC1 ZINC000488091190 516113795 /nfs/dbraw/zinc/11/37/95/516113795.db2.gz BNLBRDQXGVHLFU-OAHLLOKOSA-N 0 3 369.469 2.748 20 5 FFBDHN C[C@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000488093078 516113962 /nfs/dbraw/zinc/11/39/62/516113962.db2.gz GCEAHFFWXAHQML-YJBOKZPZSA-N 0 3 369.469 2.605 20 5 FFBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(C(=O)N2CCOCC2)CC1 ZINC000470171575 516160178 /nfs/dbraw/zinc/16/01/78/516160178.db2.gz LSXIWZAIXDHDIR-SSZFMOIBSA-N 0 3 373.453 2.569 20 5 FFBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000470170581 516161357 /nfs/dbraw/zinc/16/13/57/516161357.db2.gz XLDKBAZJJWKQKN-FXFXYLOPSA-N 0 3 373.453 2.569 20 5 FFBDHN CCC[C@](C)(N)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000496221915 516245841 /nfs/dbraw/zinc/24/58/41/516245841.db2.gz LAKSJERZHZFEMZ-AWEZNQCLSA-N 0 3 362.352 2.659 20 5 FFBDHN CN(C)CCc1ccccc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000507592675 516255675 /nfs/dbraw/zinc/25/56/75/516255675.db2.gz FYVXKXGJEOUTJC-UHFFFAOYSA-N 0 3 353.382 2.828 20 5 FFBDHN CN1C[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H](c2ccccc2)C1 ZINC000497402523 516320096 /nfs/dbraw/zinc/32/00/96/516320096.db2.gz UOBZKZQLIIBBQW-NVXWUHKLSA-N 0 3 364.405 2.904 20 5 FFBDHN O=C1c2ccccc2C(=O)N1CCCNCc1ccc([N+](=O)[O-])cc1F ZINC000512904149 516407626 /nfs/dbraw/zinc/40/76/26/516407626.db2.gz NOEDCJQZMRZGFT-UHFFFAOYSA-N 0 3 357.341 2.510 20 5 FFBDHN COc1ccc(CNC[C@H](O)COc2cc(C)cc(C)c2)cc1[N+](=O)[O-] ZINC000550763583 516412153 /nfs/dbraw/zinc/41/21/53/516412153.db2.gz JZKGRNCTBOTOIB-INIZCTEOSA-N 0 3 360.410 2.750 20 5 FFBDHN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NCc2ccc([N+](=O)[O-])cc2)s1 ZINC000513106079 516475569 /nfs/dbraw/zinc/47/55/69/516475569.db2.gz GOMYFCLDJKUZOK-GHMZBOCLSA-N 0 3 363.443 2.762 20 5 FFBDHN CCc1nnc(NC(=O)[C@H](C)[C@H](C)NCc2ccc([N+](=O)[O-])cc2)s1 ZINC000513106080 516475861 /nfs/dbraw/zinc/47/58/61/516475861.db2.gz GOMYFCLDJKUZOK-MNOVXSKESA-N 0 3 363.443 2.762 20 5 FFBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000557877167 516483107 /nfs/dbraw/zinc/48/31/07/516483107.db2.gz AKYCUOJHBRQFFU-JKSUJKDBSA-N 0 3 362.474 2.899 20 5 FFBDHN CC(C)Oc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)N(C)C)cc1 ZINC000554639035 516560549 /nfs/dbraw/zinc/56/05/49/516560549.db2.gz MYKDPZNRWOPJIL-KRWDZBQOSA-N 0 3 360.414 2.743 20 5 FFBDHN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCN(C2CC2)CC1 ZINC000518630876 516728620 /nfs/dbraw/zinc/72/86/20/516728620.db2.gz DRPGPUFKLRBISH-UHFFFAOYSA-N 0 3 356.426 2.609 20 5 FFBDHN CSC1(CNC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CCN(C)CC1 ZINC000518632699 516732004 /nfs/dbraw/zinc/73/20/04/516732004.db2.gz PIZZOGAHUIGQLI-ZDUSSCGKSA-N 0 3 366.487 2.782 20 5 FFBDHN CC[C@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000513763053 516745549 /nfs/dbraw/zinc/74/55/49/516745549.db2.gz VEDNCOFEYVKDEK-SJLPKXTDSA-N 0 3 357.458 2.882 20 5 FFBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000561762603 516757234 /nfs/dbraw/zinc/75/72/34/516757234.db2.gz PBHBWZFGSKDJHQ-JJRVBVJISA-N 0 3 363.483 2.876 20 5 FFBDHN COc1ccc(NC(=O)N[C@@H](C)CN2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000541100987 516875080 /nfs/dbraw/zinc/87/50/80/516875080.db2.gz LXFVLMXPECMTQV-STQMWFEESA-N 0 3 350.419 2.845 20 5 FFBDHN C[N@H+](CCc1cccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1)C1CC1 ZINC000537168595 517064032 /nfs/dbraw/zinc/06/40/32/517064032.db2.gz CUNLZVXEMXUTMC-UHFFFAOYSA-N 0 3 356.382 2.584 20 5 FFBDHN C[N@@H+](CCc1cccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1)C1CC1 ZINC000537168595 517064039 /nfs/dbraw/zinc/06/40/39/517064039.db2.gz CUNLZVXEMXUTMC-UHFFFAOYSA-N 0 3 356.382 2.584 20 5 FFBDHN O=C1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@@H](C2CC2)N1 ZINC000559234414 517125255 /nfs/dbraw/zinc/12/52/55/517125255.db2.gz MVVBPAAWNAKPGH-UKRRQHHQSA-N 0 3 357.332 2.760 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H](O)[C@H]3CCOC3)o2)c(Cl)c1 ZINC000537315445 517139408 /nfs/dbraw/zinc/13/94/08/517139408.db2.gz SCWNWGQHRABOPJ-MEDUHNTESA-N 0 3 366.801 2.995 20 5 FFBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)CN(C)C ZINC000537503819 517211097 /nfs/dbraw/zinc/21/10/97/517211097.db2.gz RAXSBWZCBWMOFI-KRWDZBQOSA-N 0 3 369.487 2.529 20 5 FFBDHN COc1ccc(NC(=O)CCN2C[C@@H](C)S[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000532969379 517228491 /nfs/dbraw/zinc/22/84/91/517228491.db2.gz COTPVVUQFQRFCR-VXGBXAGGSA-N 0 3 353.444 2.758 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000537673119 517290134 /nfs/dbraw/zinc/29/01/34/517290134.db2.gz BXQFNAFSSCFPFU-QGZVFWFLSA-N 0 3 351.472 2.687 20 5 FFBDHN C[C@@H]1CCCC[C@H]1OCCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000548950111 517324226 /nfs/dbraw/zinc/32/42/26/517324226.db2.gz LGEXOWUBEXZIED-QGPMSJSTSA-N 0 3 352.431 2.519 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1-c1nc(-c2ccnc(OCCN(C)C)c2)no1 ZINC000545780931 517365080 /nfs/dbraw/zinc/36/50/80/517365080.db2.gz ZBHDQARUUWZJPX-UHFFFAOYSA-N 0 3 369.381 2.956 20 5 FFBDHN Cc1c(Cl)cccc1N1CCCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000556532578 517479962 /nfs/dbraw/zinc/47/99/62/517479962.db2.gz VKKHASWFLLRNCL-UHFFFAOYSA-N 0 3 363.849 2.965 20 5 FFBDHN O=C([C@H]1CNCc2ccccc21)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000520818282 517522932 /nfs/dbraw/zinc/52/29/32/517522932.db2.gz DLKNSGZPZNJEPH-IBGZPJMESA-N 0 3 351.406 2.973 20 5 FFBDHN COc1ccc(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)cc1[N+](=O)[O-] ZINC000515989140 517530790 /nfs/dbraw/zinc/53/07/90/517530790.db2.gz GDEXRHGZPXINRL-INIZCTEOSA-N 0 3 357.410 2.506 20 5 FFBDHN CCCN(CCN1CCCCC1)C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000553159041 517550343 /nfs/dbraw/zinc/55/03/43/517550343.db2.gz AIEWASGXDUEJTI-UHFFFAOYSA-N 0 3 363.458 2.870 20 5 FFBDHN Cc1ccc(O[C@@H](C)CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000516276580 517647013 /nfs/dbraw/zinc/64/70/13/517647013.db2.gz FGCQJSFPCBXCHT-RDJZCZTQSA-N 0 3 360.410 2.700 20 5 FFBDHN CNC(=O)COc1cccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000556898456 517735477 /nfs/dbraw/zinc/73/54/77/517735477.db2.gz KXFOSOVWFDOMRP-CQSZACIVSA-N 0 3 357.410 2.879 20 5 FFBDHN CC[C@H](N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000556899259 517735621 /nfs/dbraw/zinc/73/56/21/517735621.db2.gz XWIYWQGWTRPHRS-PBHICJAKSA-N 0 3 367.471 2.592 20 5 FFBDHN COc1cc(CNC[C@@]2(O)CCC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000556958066 517773893 /nfs/dbraw/zinc/77/38/93/517773893.db2.gz CAGVBDKRAXSXJI-GTNSWQLSSA-N 0 3 374.384 2.888 20 5 FFBDHN CCCN1CCC[C@H]1CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000553694123 517856666 /nfs/dbraw/zinc/85/66/66/517856666.db2.gz NIMFAFUYCZDSBO-LBPRGKRZSA-N 0 3 367.471 2.930 20 5 FFBDHN CC(C)(CO)[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000550102267 517863546 /nfs/dbraw/zinc/86/35/46/517863546.db2.gz KDBNFWCKPTXBDU-HNNXBMFYSA-N 0 3 355.822 2.573 20 5 FFBDHN CC[C@H](N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)(F)F ZINC000539045562 517895254 /nfs/dbraw/zinc/89/52/54/517895254.db2.gz BDLWUDIWHXTGTA-DUFXMDAXSA-N 0 3 363.336 2.603 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@H](COc2ccccc2)C1 ZINC000543185953 517954567 /nfs/dbraw/zinc/95/45/67/517954567.db2.gz BKOBWQLZFRATCT-IRXDYDNUSA-N 0 3 372.421 2.735 20 5 FFBDHN COc1ccc(CC(=O)N(CC(C)C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000522265195 518054925 /nfs/dbraw/zinc/05/49/25/518054925.db2.gz MTHPIWPKRDOLKO-UHFFFAOYSA-N 0 3 363.458 2.725 20 5 FFBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000547421569 518131238 /nfs/dbraw/zinc/13/12/38/518131238.db2.gz DPDUUVFNUZNEPM-GOSISDBHSA-N 0 3 356.426 2.876 20 5 FFBDHN C[C@@H](C(=O)N[C@H](Cc1ccccc1)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000569778251 518283151 /nfs/dbraw/zinc/28/31/51/518283151.db2.gz DFGBIJKRRKBRHC-CRAIPNDOSA-N 0 3 355.438 2.987 20 5 FFBDHN CCOC(=O)c1ccnc(N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000581455832 518291860 /nfs/dbraw/zinc/29/18/60/518291860.db2.gz BJNYQAMCCALFRC-MJBXVCDLSA-N 0 3 364.446 2.945 20 5 FFBDHN O=[N+]([O-])c1ccc(OC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1CO ZINC000575958603 518360358 /nfs/dbraw/zinc/36/03/58/518360358.db2.gz ZQYQGJAVZAFFOT-IBGZPJMESA-N 0 3 372.421 2.757 20 5 FFBDHN O=C(CCNCc1ccc2c(c1)OCCCO2)Nc1ccccc1[N+](=O)[O-] ZINC000564321134 518397128 /nfs/dbraw/zinc/39/71/28/518397128.db2.gz GLOGAWJWGXDMMZ-UHFFFAOYSA-N 0 3 371.393 2.875 20 5 FFBDHN CCc1nn(C)c(CC)c1CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000567377958 518494042 /nfs/dbraw/zinc/49/40/42/518494042.db2.gz KCDMNSOZLDRLPT-UHFFFAOYSA-N 0 3 359.430 2.572 20 5 FFBDHN O=C(CCN1CCNC[C@@H]1c1cccc(F)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000564729672 518585752 /nfs/dbraw/zinc/58/57/52/518585752.db2.gz RQRNPWXDRWIDFR-GOSISDBHSA-N 0 3 372.400 2.709 20 5 FFBDHN CN1CC[C@@H]2OCCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)[C@H]2C1 ZINC000585783657 518595942 /nfs/dbraw/zinc/59/59/42/518595942.db2.gz ZLUVLQCGSKGCCF-IRXDYDNUSA-N 0 3 354.410 2.566 20 5 FFBDHN Cc1cc2cc(CNC[C@H](O)COc3cccc([N+](=O)[O-])c3)ccc2[nH]1 ZINC000567606614 518610726 /nfs/dbraw/zinc/61/07/26/518610726.db2.gz YKWNIBHSZQAIAD-KRWDZBQOSA-N 0 3 355.394 2.914 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H]2CCc3c2ccc(Cl)c3Cl)c1 ZINC000576512256 518628707 /nfs/dbraw/zinc/62/87/07/518628707.db2.gz RYAXMVGIGLPXLI-HZMBPMFUSA-N 0 3 371.224 2.736 20 5 FFBDHN O=[N+]([O-])c1cc(F)c(CN2CCCN(C[C@H]3CCCO3)CC2)c(F)c1 ZINC000586760549 518632280 /nfs/dbraw/zinc/63/22/80/518632280.db2.gz LEVBJTMJCFGYCJ-CQSZACIVSA-N 0 3 355.385 2.560 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)cc1 ZINC000567688148 518656056 /nfs/dbraw/zinc/65/60/56/518656056.db2.gz JVDOJNNWWJCXDK-CEXWTWQISA-N 0 3 372.446 2.687 20 5 FFBDHN C[C@H]1CN(CCCCNc2ncnc3sc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000587994478 518693955 /nfs/dbraw/zinc/69/39/55/518693955.db2.gz KTZKDQHRKYYHOY-RYUDHWBXSA-N 0 3 365.459 2.901 20 5 FFBDHN CSC1(CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CCN(C)CC1 ZINC000582758591 518905080 /nfs/dbraw/zinc/90/50/80/518905080.db2.gz XYAZSRVZWOIUAB-ZDUSSCGKSA-N 0 3 366.487 2.782 20 5 FFBDHN CSc1ccc(F)cc1CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000573954123 518916745 /nfs/dbraw/zinc/91/67/45/518916745.db2.gz MFHKTPBAACOTBW-HNNXBMFYSA-N 0 3 366.414 2.985 20 5 FFBDHN C[C@H](N[C@H]1CCN(C)[C@@H]1c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000574061730 518970136 /nfs/dbraw/zinc/97/01/36/518970136.db2.gz CMDPTIREVVXOPK-ZOCIIQOWSA-N 0 3 368.437 2.957 20 5 FFBDHN COc1ccc(C(=O)NCCN[C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000565551571 519014636 /nfs/dbraw/zinc/01/46/36/519014636.db2.gz YCYFFGKWMYWMLR-KRWDZBQOSA-N 0 3 355.394 2.610 20 5 FFBDHN CC(C)Cc1ccc([C@H](CNC(=O)c2c([N+](=O)[O-])cnn2C)N(C)C)cc1 ZINC000565562667 519018174 /nfs/dbraw/zinc/01/81/74/519018174.db2.gz WQCCRLYPCJSHOF-INIZCTEOSA-N 0 3 373.457 2.560 20 5 FFBDHN CC(C)N(C)C[C@@H](C)Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000577687711 519202306 /nfs/dbraw/zinc/20/23/06/519202306.db2.gz MAKLFGNFGBJDBX-CYBMUJFWSA-N 0 3 359.430 2.700 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](C(C)C)[C@@H](CO)C(C)C)c1 ZINC000590659158 519305434 /nfs/dbraw/zinc/30/54/34/519305434.db2.gz AOENUISLRUEEDW-DOTOQJQBSA-N 0 3 352.431 2.760 20 5 FFBDHN CC(C)N1CCN([C@H]2CCN(c3nccc4c3cccc4[N+](=O)[O-])C2)CC1 ZINC000590692865 519319203 /nfs/dbraw/zinc/31/92/03/519319203.db2.gz BCJPQQJFZCDCEZ-INIZCTEOSA-N 0 3 369.469 2.748 20 5 FFBDHN CC(C)N1CCN([C@@H]2CCN(c3nccc4c3cccc4[N+](=O)[O-])C2)CC1 ZINC000590692866 519319354 /nfs/dbraw/zinc/31/93/54/519319354.db2.gz BCJPQQJFZCDCEZ-MRXNPFEDSA-N 0 3 369.469 2.748 20 5 FFBDHN O=C(CCN1CC2(CCC2)[C@H]1[C@@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000583722169 519397904 /nfs/dbraw/zinc/39/79/04/519397904.db2.gz KUVKKBOEOORSRA-FUHWJXTLSA-N 0 3 359.426 2.957 20 5 FFBDHN CC(C)(C)N1CCCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000569302517 519476168 /nfs/dbraw/zinc/47/61/68/519476168.db2.gz AISGDGCAUTVENC-UHFFFAOYSA-N 0 3 355.385 2.748 20 5 FFBDHN CC(C)(NC(=O)Nc1cnc2c(c1)CNCC2)c1ccccc1[N+](=O)[O-] ZINC000591310702 519585870 /nfs/dbraw/zinc/58/58/70/519585870.db2.gz CUJOMHGJDXFXLY-UHFFFAOYSA-N 0 3 355.398 2.692 20 5 FFBDHN Cc1noc(C)c1[C@H](C)NCCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000612461581 519973753 /nfs/dbraw/zinc/97/37/53/519973753.db2.gz JWZLVBQZBNJHEW-JTQLQIEISA-N 0 3 360.370 2.848 20 5 FFBDHN CN(C[C@H]1CCCN1C)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000600029499 520008063 /nfs/dbraw/zinc/00/80/63/520008063.db2.gz KRDUGGCFBINVAA-SNVBAGLBSA-N 0 3 356.220 2.524 20 5 FFBDHN CCOc1ccc(OC[C@@H](O)CNCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000591763451 520028995 /nfs/dbraw/zinc/02/89/95/520028995.db2.gz HDUWFCRVUZHDDM-INIZCTEOSA-N 0 3 360.410 2.831 20 5 FFBDHN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCNC2(CCCCC2)C1 ZINC000594628975 520060846 /nfs/dbraw/zinc/06/08/46/520060846.db2.gz SKJJMTJXPHZUPG-UHFFFAOYSA-N 0 3 372.469 2.943 20 5 FFBDHN COc1ccc(-c2ccc(CN(C)[C@H]3CCC(=O)N(C)C3)o2)c([N+](=O)[O-])c1 ZINC000600178259 520103300 /nfs/dbraw/zinc/10/33/00/520103300.db2.gz JOFYFVMGMHTNSD-ZDUSSCGKSA-N 0 3 373.409 2.916 20 5 FFBDHN CC[C@H]1CN(C)CCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000597603518 520130684 /nfs/dbraw/zinc/13/06/84/520130684.db2.gz CXWRCLCVGHTPNA-AWEZNQCLSA-N 0 3 357.414 2.541 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H]2CCN(C(C)(C)C)C2)c1 ZINC000594793094 520161984 /nfs/dbraw/zinc/16/19/84/520161984.db2.gz UVAITUGCUNNDOY-CQSZACIVSA-N 0 3 369.487 2.610 20 5 FFBDHN CN(CCN1CCN(c2ccc([N+](=O)[O-])s2)CC1)Cc1ccccc1 ZINC000609150026 520209725 /nfs/dbraw/zinc/20/97/25/520209725.db2.gz ACIKMWVEFFMJQT-UHFFFAOYSA-N 0 3 360.483 2.910 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000595038294 520265791 /nfs/dbraw/zinc/26/57/91/520265791.db2.gz IUQMBTNGEUWONI-IYOUNJFTSA-N 0 3 364.442 2.822 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCCNC(=O)c1cccc(O)c1 ZINC000595040880 520267178 /nfs/dbraw/zinc/26/71/78/520267178.db2.gz PGRLTYXLLIIVID-ZDUSSCGKSA-N 0 3 373.409 2.780 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000595048924 520269753 /nfs/dbraw/zinc/26/97/53/520269753.db2.gz SOAVRWJSEQQQME-HUUCEWRRSA-N 0 3 373.457 2.965 20 5 FFBDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000597857639 520286532 /nfs/dbraw/zinc/28/65/32/520286532.db2.gz HSUKRNBUEDPMML-LBPRGKRZSA-N 0 3 370.247 2.960 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000592253280 520292822 /nfs/dbraw/zinc/29/28/22/520292822.db2.gz DMNPOAGYYCCJIB-UHFFFAOYSA-N 0 3 362.430 2.540 20 5 FFBDHN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCN(c2ccncc2)CC1 ZINC000603781190 520358966 /nfs/dbraw/zinc/35/89/66/520358966.db2.gz YPNFSCIAIPIBFY-UHFFFAOYSA-N 0 3 352.350 2.698 20 5 FFBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000595233815 520364982 /nfs/dbraw/zinc/36/49/82/520364982.db2.gz BYFXFDQQISYJOY-GOSISDBHSA-N 0 3 370.409 2.920 20 5 FFBDHN O=C(NCC1CCN(Cc2ccncc2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000598062653 520404981 /nfs/dbraw/zinc/40/49/81/520404981.db2.gz SFRBXSNJVBBLME-UHFFFAOYSA-N 0 3 372.400 2.771 20 5 FFBDHN CN1CCN(CC2(C)CCN(Cc3ccc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC000595434195 520468208 /nfs/dbraw/zinc/46/82/08/520468208.db2.gz ZEWQZUOVAARICB-UHFFFAOYSA-N 0 3 364.465 2.583 20 5 FFBDHN Cc1cc(NC(=O)c2cc([N+](=O)[O-])cn2C)ccc1OCCN1CCCC1 ZINC000609887110 520469339 /nfs/dbraw/zinc/46/93/39/520469339.db2.gz QAXQFZNFSZPDIH-UHFFFAOYSA-N 0 3 372.425 2.969 20 5 FFBDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000598195940 520486226 /nfs/dbraw/zinc/48/62/26/520486226.db2.gz XEVBWXDBENKFHI-IBGZPJMESA-N 0 3 367.449 2.913 20 5 FFBDHN CCCN1CC[C@@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC000598342338 520565777 /nfs/dbraw/zinc/56/57/77/520565777.db2.gz MIEVIJLOPBAULA-OAHLLOKOSA-N 0 3 354.410 2.871 20 5 FFBDHN CCCN1CC[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000598343034 520566633 /nfs/dbraw/zinc/56/66/33/520566633.db2.gz RULDSAKRRGSDKH-CYBMUJFWSA-N 0 3 360.439 2.932 20 5 FFBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000604535302 520593675 /nfs/dbraw/zinc/59/36/75/520593675.db2.gz VALISBMOVZYRIE-SFHVURJKSA-N 0 3 368.437 2.860 20 5 FFBDHN CC[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000598530990 520684427 /nfs/dbraw/zinc/68/44/27/520684427.db2.gz CQLDGGCNTWXBAS-JOYOIKCWSA-N 0 3 356.220 2.570 20 5 FFBDHN Cc1sc(C(=O)N2CC3(CCCC3)OC[C@@H]2CN(C)C)cc1[N+](=O)[O-] ZINC000598536196 520687897 /nfs/dbraw/zinc/68/78/97/520687897.db2.gz OGTISDMJBABXNP-ZDUSSCGKSA-N 0 3 367.471 2.680 20 5 FFBDHN Cc1cc(C(=O)N2CC3(CCCC3)OC[C@@H]2CN(C)C)cc([N+](=O)[O-])c1 ZINC000598535933 520688102 /nfs/dbraw/zinc/68/81/02/520688102.db2.gz LSOYYWCJEDMUNY-KRWDZBQOSA-N 0 3 361.442 2.619 20 5 FFBDHN CN1CCC(n2cc(N=c3[nH]c4ccccc4cc3[N+](=O)[O-])cn2)CC1 ZINC000601226583 520696380 /nfs/dbraw/zinc/69/63/80/520696380.db2.gz NXNXOBVCHKKYAZ-UHFFFAOYSA-N 0 3 352.398 2.772 20 5 FFBDHN CN1CCC(n2cc(Nc3c4ccccc4ncc3[N+](=O)[O-])cn2)CC1 ZINC000601227817 520699291 /nfs/dbraw/zinc/69/92/91/520699291.db2.gz WPCAVSKMBZKBPU-UHFFFAOYSA-N 0 3 352.398 2.772 20 5 FFBDHN C[C@@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000593057756 520712950 /nfs/dbraw/zinc/71/29/50/520712950.db2.gz HRNICKPIWVLSHJ-AWEZNQCLSA-N 0 3 359.401 2.913 20 5 FFBDHN Cc1sc(C(=O)N2CC[C@H](OCCN3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000610733462 520819531 /nfs/dbraw/zinc/81/95/31/520819531.db2.gz VURBHEXDYLPQDP-AWEZNQCLSA-N 0 3 367.471 2.682 20 5 FFBDHN Cc1ccc(NCCCNC(=O)c2cc3c(s2)CCNC3)c([N+](=O)[O-])c1 ZINC000595925977 520828610 /nfs/dbraw/zinc/82/86/10/520828610.db2.gz ZMTBSIWLYMWVIF-UHFFFAOYSA-N 0 3 374.466 2.842 20 5 FFBDHN CNc1ccc(C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000610764823 520833818 /nfs/dbraw/zinc/83/38/18/520833818.db2.gz XVUHRNWEXSCTOP-AWEZNQCLSA-N 0 3 370.409 2.606 20 5 FFBDHN COc1cccc(C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000593337158 520920187 /nfs/dbraw/zinc/92/01/87/520920187.db2.gz PGFVRWRARRNVQJ-FQEVSTJZSA-N 0 3 369.421 2.998 20 5 FFBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CCCCCN(Cc2ccccc2)C1 ZINC000601728164 520921337 /nfs/dbraw/zinc/92/13/37/520921337.db2.gz NSFWRGGTONMBIR-MRXNPFEDSA-N 0 3 371.441 2.503 20 5 FFBDHN CN1CCC[C@@H](N2CCN(c3ccc(C(F)(F)F)c([N+](=O)[O-])c3)CC2)C1 ZINC000596128766 520929486 /nfs/dbraw/zinc/92/94/86/520929486.db2.gz MOEVECSSPCCBAW-CQSZACIVSA-N 0 3 372.391 2.830 20 5 FFBDHN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CN1Cc1ccccc1 ZINC000596163473 520946421 /nfs/dbraw/zinc/94/64/21/520946421.db2.gz VMFJCWQTRWNBFJ-BBRMVZONSA-N 0 3 354.410 2.769 20 5 FFBDHN CS[C@@H]1CN(c2c(Br)cccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000596181323 520958066 /nfs/dbraw/zinc/95/80/66/520958066.db2.gz ZWABKNFUQKNYCS-NWDGAFQWSA-N 0 3 360.277 2.839 20 5 FFBDHN COc1ccc(CN2CC[C@H]2CNCc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000598993018 520966184 /nfs/dbraw/zinc/96/61/84/520966184.db2.gz IEWDHOQIIJXIGZ-KRWDZBQOSA-N 0 3 371.437 2.976 20 5 FFBDHN C[C@@H]1[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCS1(=O)=O ZINC000599004586 520974335 /nfs/dbraw/zinc/97/43/35/520974335.db2.gz SOTIWTRUNZAHTL-IAQYHMDHSA-N 0 3 366.464 2.989 20 5 FFBDHN C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CCN1Cc1ccccc1 ZINC000596236439 520988839 /nfs/dbraw/zinc/98/88/39/520988839.db2.gz VVAVVEVENPRDAN-CXAGYDPISA-N 0 3 354.410 2.769 20 5 FFBDHN CN1CCN(CC2CCN(c3ccc4cnccc4c3[N+](=O)[O-])CC2)CC1 ZINC000599028225 520990076 /nfs/dbraw/zinc/99/00/76/520990076.db2.gz RKVNBJCXOPHQDI-UHFFFAOYSA-N 0 3 369.469 2.607 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCC(N3CCCOCC3)CC2)cc1OC(F)F ZINC000596267882 521001834 /nfs/dbraw/zinc/00/18/34/521001834.db2.gz BBVRNZDLLGLQKO-UHFFFAOYSA-N 0 3 371.384 2.887 20 5 FFBDHN O=[N+]([O-])c1c2cccnc2ccc1N1CCC(N2CCCOCC2)CC1 ZINC000596268962 521002588 /nfs/dbraw/zinc/00/25/88/521002588.db2.gz ONZUYYKRYWWUDO-UHFFFAOYSA-N 0 3 356.426 2.834 20 5 FFBDHN CC(C)(C)N1CC[C@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000596306816 521019696 /nfs/dbraw/zinc/01/96/96/521019696.db2.gz IMDQOHBRKVCCEQ-GFCCVEGCSA-N 0 3 355.460 2.531 20 5 FFBDHN C[C@@H](NC[C@H]1CN(Cc2ccncc2)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000599086918 521025275 /nfs/dbraw/zinc/02/52/75/521025275.db2.gz BHVQBGCWAGWBFL-BEFAXECRSA-N 0 3 356.426 2.541 20 5 FFBDHN CCN(C[C@@H]1CCOC1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000611205370 521036781 /nfs/dbraw/zinc/03/67/81/521036781.db2.gz YHHNUCXOBQGPBK-RYUDHWBXSA-N 0 3 355.822 2.934 20 5 FFBDHN C[C@](O)(C[C@H](O)CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000601966127 521044875 /nfs/dbraw/zinc/04/48/75/521044875.db2.gz PZOBNKWUYGXIKI-GJZGRUSLSA-N 0 3 362.348 2.615 20 5 FFBDHN Cc1ccc(CN2CCC(C(N)=O)(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000611272226 521070100 /nfs/dbraw/zinc/07/01/00/521070100.db2.gz MKUWPHWPXZTEDO-UHFFFAOYSA-N 0 3 353.422 2.922 20 5 FFBDHN CC(C)N1CCCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599304187 521140218 /nfs/dbraw/zinc/14/02/18/521140218.db2.gz JEZVZZAIVDPSGJ-UHFFFAOYSA-N 0 3 370.247 2.914 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H](c1ccccn1)C1CCC1 ZINC000599574323 521305928 /nfs/dbraw/zinc/30/59/28/521305928.db2.gz SEYIETVNKZQIQI-BEFAXECRSA-N 0 3 357.410 2.861 20 5 FFBDHN COC[C@@H](NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000602543723 521403735 /nfs/dbraw/zinc/40/37/35/521403735.db2.gz FZEGLDYSVNOTQT-GOSISDBHSA-N 0 3 356.426 2.936 20 5 FFBDHN CC(C)(C(=O)Nc1ccc2c(c1)OCCNC2)c1ccc([N+](=O)[O-])cc1 ZINC000602551834 521408321 /nfs/dbraw/zinc/40/83/21/521408321.db2.gz KEKIJHJJKHUXKK-UHFFFAOYSA-N 0 3 355.394 2.993 20 5 FFBDHN C[C@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000599750395 521446658 /nfs/dbraw/zinc/44/66/58/521446658.db2.gz VNYFRNHNJRYXHW-JTQLQIEISA-N 0 3 368.231 2.738 20 5 FFBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594195337 521461561 /nfs/dbraw/zinc/46/15/61/521461561.db2.gz FWGHRDIXEQXOAH-ROUUACIJSA-N 0 3 356.426 2.752 20 5 FFBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@H](CO)c1cccnc1 ZINC000602663087 521466405 /nfs/dbraw/zinc/46/64/05/521466405.db2.gz SYAFJDWPJJMVPR-CYBMUJFWSA-N 0 3 355.316 2.874 20 5 FFBDHN CC1CCN(CCNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC000599830232 521497509 /nfs/dbraw/zinc/49/75/09/521497509.db2.gz GMLMUMKIKQTVIG-UHFFFAOYSA-N 0 3 357.414 2.996 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(N2CCc3ccccc32)CC1 ZINC000602826867 521555636 /nfs/dbraw/zinc/55/56/36/521555636.db2.gz OKGMHCGXONPAPQ-UHFFFAOYSA-N 0 3 355.442 2.627 20 5 FFBDHN Cc1ncc(CNC(=O)CCN(C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000602830128 521556597 /nfs/dbraw/zinc/55/65/97/521556597.db2.gz KYBAIZVOGHTJCT-UHFFFAOYSA-N 0 3 362.455 2.541 20 5 FFBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCN(c2ccncc2)CC1 ZINC000602846563 521567704 /nfs/dbraw/zinc/56/77/04/521567704.db2.gz RMLBVFUADSLNLU-OAHLLOKOSA-N 0 3 369.425 2.529 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@@H](CO)CC1CCCC1)OCCO2 ZINC000619599326 521789297 /nfs/dbraw/zinc/78/92/97/521789297.db2.gz MBOSYPWPDFAMKC-AWEZNQCLSA-N 0 3 350.415 2.644 20 5 FFBDHN C[C@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824594210 608492248 /nfs/dbraw/zinc/49/22/48/608492248.db2.gz YGAMYUFDZUYGDN-ZDUSSCGKSA-N 0 3 368.397 2.895 20 5 FFBDHN C[C@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824594210 608492249 /nfs/dbraw/zinc/49/22/49/608492249.db2.gz YGAMYUFDZUYGDN-ZDUSSCGKSA-N 0 3 368.397 2.895 20 5 FFBDHN Cc1nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164896267 721512060 /nfs/dbraw/zinc/51/20/60/721512060.db2.gz AESSGNGEUAHDJU-WBVHZDCISA-N 0 3 372.400 2.779 20 5 FFBDHN CN(C[C@H]1CCCN1C)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000159135344 728901188 /nfs/dbraw/zinc/90/11/88/728901188.db2.gz LMGKDPFNPYCSCJ-SNVBAGLBSA-N 0 3 356.220 2.524 20 5 FFBDHN COc1c([O-])ccc(C[N@@H+]2CCCC[C@H]([C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000898513779 735373505 /nfs/dbraw/zinc/37/35/05/735373505.db2.gz YEOKOPMMSHXVFA-ZFWWWQNUSA-N 0 3 350.415 2.948 20 5 FFBDHN COc1c([O-])ccc(C[N@H+]2CCCC[C@H]([C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000898513779 735373510 /nfs/dbraw/zinc/37/35/10/735373510.db2.gz YEOKOPMMSHXVFA-ZFWWWQNUSA-N 0 3 350.415 2.948 20 5 FFBDHN COc1c([O-])ccc(C[N@@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000898513778 735373702 /nfs/dbraw/zinc/37/37/02/735373702.db2.gz YEOKOPMMSHXVFA-UKRRQHHQSA-N 0 3 350.415 2.948 20 5 FFBDHN COc1c([O-])ccc(C[N@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000898513778 735373706 /nfs/dbraw/zinc/37/37/06/735373706.db2.gz YEOKOPMMSHXVFA-UKRRQHHQSA-N 0 3 350.415 2.948 20 5 FFBDHN C[C@H]1CCCN(C(C)(C)CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000152106675 728748033 /nfs/dbraw/zinc/74/80/33/728748033.db2.gz SERIEVZGQQGRQP-AWEZNQCLSA-N 0 3 369.487 2.525 20 5 FFBDHN C[C@H](CNC(=O)OC(C)(C)C)N(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000171954693 729016078 /nfs/dbraw/zinc/01/60/78/729016078.db2.gz LDGZSEPNSPZCPH-CYBMUJFWSA-N 0 3 353.419 2.819 20 5 FFBDHN C[C@@H](CN(C)CCOc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000860098750 730476108 /nfs/dbraw/zinc/47/61/08/730476108.db2.gz QIOJYPVACJVFIQ-ZDUSSCGKSA-N 0 3 353.419 2.819 20 5 FFBDHN CO[C@@H]1CN(C)[C@](C)(COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000861345980 730602197 /nfs/dbraw/zinc/60/21/97/730602197.db2.gz BXUMUVXWNGKSAY-YJBOKZPZSA-N 0 3 350.415 2.525 20 5 FFBDHN C[C@@H]1CN(CCCCNc2cc(F)c([N+](=O)[O-])cc2CO)C[C@H](C)O1 ZINC000865601280 730975147 /nfs/dbraw/zinc/97/51/47/730975147.db2.gz NRXGCJHSQYTYEF-BETUJISGSA-N 0 3 355.410 2.528 20 5 FFBDHN C[C@@H]1CN(CCCCNc2cc(F)c([N+](=O)[O-])cc2CO)C[C@@H](C)O1 ZINC000865601281 730975251 /nfs/dbraw/zinc/97/52/51/730975251.db2.gz NRXGCJHSQYTYEF-CHWSQXEVSA-N 0 3 355.410 2.528 20 5 FFBDHN O=[N+]([O-])c1ccc(CNCC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c(Cl)c1 ZINC000873169123 731883747 /nfs/dbraw/zinc/88/37/47/731883747.db2.gz BBDKHMKTINRYOX-FTNCPSPGSA-N 0 3 358.847 2.694 20 5 FFBDHN CC(C)[C@H]1CN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CCN1C ZINC000879601314 732731770 /nfs/dbraw/zinc/73/17/70/732731770.db2.gz NVDJSXXORJWGGT-MLGOLLRUSA-N 0 3 368.865 2.847 20 5 FFBDHN Cc1csc([C@H]2CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)n1 ZINC000880008758 732818487 /nfs/dbraw/zinc/81/84/87/732818487.db2.gz HDKAYOSQULOXOA-KBPBESRZSA-N 0 3 363.439 2.589 20 5 FFBDHN CCOc1ccc([C@@H](C)NCC[C@@H]2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000883306999 733365439 /nfs/dbraw/zinc/36/54/39/733365439.db2.gz JYPNGSGVNYGXML-OCCSQVGLSA-N 0 3 356.444 2.611 20 5 FFBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000885882497 733724724 /nfs/dbraw/zinc/72/47/24/733724724.db2.gz IMJRKOXSXRIFPK-CQSZACIVSA-N 0 3 367.833 2.540 20 5 FFBDHN COC1CCN(C(C)(C)CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000749983677 735765509 /nfs/dbraw/zinc/76/55/09/735765509.db2.gz QDXLNFIQEKLDIW-UHFFFAOYSA-N 0 3 369.849 2.867 20 5 FFBDHN COC(=O)C[C@@H](N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000754543964 736170409 /nfs/dbraw/zinc/17/04/09/736170409.db2.gz YZDGZTGSMLLBSG-TVQRCGJNSA-N 0 3 369.805 2.507 20 5 FFBDHN COC(=O)C[C@@H](N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000754543962 736170464 /nfs/dbraw/zinc/17/04/64/736170464.db2.gz YZDGZTGSMLLBSG-NOZJJQNGSA-N 0 3 369.805 2.507 20 5 FFBDHN CCN1CCCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000910268759 737050572 /nfs/dbraw/zinc/05/05/72/737050572.db2.gz GUUWYZBXBJADGW-NSHDSACASA-N 0 3 370.247 2.914 20 5 FFBDHN CN1C[C@H](CCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1=O ZINC000922487415 738153610 /nfs/dbraw/zinc/15/36/10/738153610.db2.gz CTERZVLJOMHKBJ-GFCCVEGCSA-N 0 3 360.439 2.676 20 5 FFBDHN CS(=O)(=O)c1ccccc1CCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000922680646 738184055 /nfs/dbraw/zinc/18/40/55/738184055.db2.gz UVMMCWUGJQRSPM-UHFFFAOYSA-N 0 3 368.842 2.984 20 5 FFBDHN COC(=O)C(C)(C)[C@H]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776597752 738212556 /nfs/dbraw/zinc/21/25/56/738212556.db2.gz MECYMXMUXMJSMG-GOEBONIOSA-N 0 3 350.415 2.539 20 5 FFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)C[C@@H]1C ZINC000778009119 738342077 /nfs/dbraw/zinc/34/20/77/738342077.db2.gz KTLWDFOOYKDJJA-QWHCGFSZSA-N 0 3 373.450 2.536 20 5 FFBDHN Cc1cc(OS(=O)(=O)c2ccc(CN(C)C)cc2)ccc1[N+](=O)[O-] ZINC000788590410 739261148 /nfs/dbraw/zinc/26/11/48/739261148.db2.gz BIUQSWOVQDOEIU-UHFFFAOYSA-N 0 3 350.396 2.733 20 5 FFBDHN CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000790886787 739509084 /nfs/dbraw/zinc/50/90/84/739509084.db2.gz AWYFOMOPYVXLJN-GFCCVEGCSA-N 0 3 355.797 2.625 20 5 FFBDHN COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792873679 739714169 /nfs/dbraw/zinc/71/41/69/739714169.db2.gz UOABRKGPDCMAJU-XJKSGUPXSA-N 0 3 351.359 2.715 20 5 FFBDHN CC(COC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl)[N+](=O)[O-] ZINC000813103259 741677071 /nfs/dbraw/zinc/67/70/71/741677071.db2.gz ZJUMOPCLEZZEFW-JTQLQIEISA-N 0 3 356.806 2.824 20 5 FFBDHN CC(COC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)[N+](=O)[O-] ZINC000813108700 741677930 /nfs/dbraw/zinc/67/79/30/741677930.db2.gz KGLDHEXNRGCOHV-RKDXNWHRSA-N 0 3 361.181 2.555 20 5 FFBDHN CC(C)c1nc(C(=O)OCC(C)[N+](=O)[O-])nn1-c1ccccc1Cl ZINC000813111760 741678556 /nfs/dbraw/zinc/67/85/56/741678556.db2.gz WZGWREKILTVHLH-JTQLQIEISA-N 0 3 352.778 2.866 20 5 FFBDHN CCN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)[C@H]1CCN(CC)C1 ZINC000825018077 743195307 /nfs/dbraw/zinc/19/53/07/743195307.db2.gz GHDIYZMAAQJTFV-VIFPVBQESA-N 0 3 358.801 2.526 20 5 FFBDHN CC(COC(=O)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)[N+](=O)[O-] ZINC000835453777 746017231 /nfs/dbraw/zinc/01/72/31/746017231.db2.gz GLQAMQPBAWRWBA-IAQYHMDHSA-N 0 3 361.316 2.863 20 5 FFBDHN NC(=O)[C@]1(c2ccccc2)CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000839643757 746880783 /nfs/dbraw/zinc/88/07/83/746880783.db2.gz SNLLGAPDVZUPGM-GOSISDBHSA-N 0 3 359.813 2.877 20 5 FFBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841160658 747283809 /nfs/dbraw/zinc/28/38/09/747283809.db2.gz DBRMCGALIGRFQF-DTWKUNHWSA-N 0 3 357.208 2.571 20 5 FFBDHN CC([C@H](OC(=O)[C@H](C)NC(=O)C(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845873086 748340648 /nfs/dbraw/zinc/34/06/48/748340648.db2.gz RNTJZUIMINYMDD-WDMOLILDSA-N 0 3 354.378 2.626 20 5 FFBDHN C[C@H](NC[C@@H](O)c1cc(F)c(F)c(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850581377 749389413 /nfs/dbraw/zinc/38/94/13/749389413.db2.gz VPMJIGNEOTYPMA-VXJOIVPMSA-N 0 3 355.316 2.979 20 5 FFBDHN Cc1nn(CN2CCCCCCNC(=O)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000872668147 1013244749 /nfs/dbraw/zinc/24/47/49/1013244749.db2.gz XZYPFZCMQNRLRI-UHFFFAOYSA-N 0 3 359.430 2.593 20 5 FFBDHN O=[N+]([O-])c1cnc2ccc(F)cc2c1N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000891741167 964997589 /nfs/dbraw/zinc/99/75/89/964997589.db2.gz LRECGCLYNBONSX-HNNXBMFYSA-N 0 3 374.416 2.973 20 5 FFBDHN CCCCCCN(C)CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000135538942 968080616 /nfs/dbraw/zinc/08/06/16/968080616.db2.gz OFOHJSSEKWTHGW-HNNXBMFYSA-N 0 3 363.462 2.515 20 5 FFBDHN CN(CCN1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000103119339 969793517 /nfs/dbraw/zinc/79/35/17/969793517.db2.gz NFKXTQNYLOBVOE-UHFFFAOYSA-N 0 3 360.458 2.753 20 5 FFBDHN C[C@@H](CNC(=O)N1CCN(C2CC2)C[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000897064525 973215379 /nfs/dbraw/zinc/21/53/79/973215379.db2.gz YZWKKIVIQPHWLT-GJZGRUSLSA-N 0 3 360.458 2.824 20 5 FFBDHN Cc1ncccc1OC[C@@H]1CCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000842173533 976710094 /nfs/dbraw/zinc/71/00/94/976710094.db2.gz RHNAKTPPVQLFDX-ROUUACIJSA-N 0 3 357.410 2.875 20 5 FFBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCCN(CC)C[C@@H]2C)cc1OC ZINC000910294472 981903117 /nfs/dbraw/zinc/90/31/17/981903117.db2.gz UNYWPYJQFYVAFB-ZDUSSCGKSA-N 0 3 365.430 2.558 20 5 FFBDHN COCCO[C@]12CCC[C@@]1(NC/C=C\c1ccccc1[N+](=O)[O-])CCO2 ZINC000898001351 982574304 /nfs/dbraw/zinc/57/43/04/982574304.db2.gz LLMXKTNKFRIWSZ-ZSKSOVMSSA-N 0 3 362.426 2.900 20 5 FFBDHN CN(C)C[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2O1 ZINC000760820536 984530784 /nfs/dbraw/zinc/53/07/84/984530784.db2.gz FGKKVDAUPCRMFM-XLNAKTSKSA-N 0 3 367.405 2.964 20 5 FFBDHN CC(COC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)[N+](=O)[O-] ZINC000813103949 995614459 /nfs/dbraw/zinc/61/44/59/995614459.db2.gz VEMLHIIVAISSNB-SJCJKPOMSA-N 0 3 355.346 2.963 20 5 FFBDHN CC(COC(=O)C1C[C@H]2CCC[C@@H](C1)C2NC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000813107667 995624169 /nfs/dbraw/zinc/62/41/69/995624169.db2.gz QCFGZNFWJGOGII-XDYZINJXSA-N 0 3 370.446 2.914 20 5 FFBDHN CC(COC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1)[N+](=O)[O-] ZINC000813107425 995624505 /nfs/dbraw/zinc/62/45/05/995624505.db2.gz NEELPQIIBCEBAZ-GOEBONIOSA-N 0 3 370.405 2.900 20 5 FFBDHN CC(C)(C)N1CC[C@H]1COC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000845733622 998640908 /nfs/dbraw/zinc/64/09/08/998640908.db2.gz XOFGZQGIQSWABE-AWEZNQCLSA-N 0 3 365.386 2.852 20 5 FFBDHN Cc1c(CO)cc([N+](=O)[O-])c(N2CCCN(C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000732568513 998704896 /nfs/dbraw/zinc/70/48/96/998704896.db2.gz YJEWCBOHLUTLPK-UHFFFAOYSA-N 0 3 366.418 2.614 20 5 FFBDHN O=C(Nc1ccccn1)[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000742588505 999779252 /nfs/dbraw/zinc/77/92/52/999779252.db2.gz PPOZAZQRAPQUFC-HNNXBMFYSA-N 0 3 370.409 2.719 20 5 FFBDHN COc1ccc(C[C@H](C)N[C@H](C)c2nnc3ccccn32)c([N+](=O)[O-])c1 ZINC001170298383 1003091867 /nfs/dbraw/zinc/09/18/67/1003091867.db2.gz KRURJGLFJDUQQT-QWHCGFSZSA-N 0 3 355.398 2.928 20 5 FFBDHN COc1ccc(C[C@H](C)N2CC[C@@H](Oc3ncc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC001170355635 1003123139 /nfs/dbraw/zinc/12/31/39/1003123139.db2.gz NGOOEWSNYDSDCH-WMLDXEAASA-N 0 3 372.425 2.786 20 5 FFBDHN CCCN(CCN1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000804566236 1003729256 /nfs/dbraw/zinc/72/92/56/1003729256.db2.gz NQXDVCALVBURMW-UHFFFAOYSA-N 0 3 362.474 2.999 20 5 FFBDHN CCOC(=O)C1=C(Nc2cc(OC(C)C)c([N+](=O)[O-])cc2C)CCNC1 ZINC001170521763 1004559177 /nfs/dbraw/zinc/55/91/77/1004559177.db2.gz OCOKIVWSGBASIH-UHFFFAOYSA-N 0 3 363.414 2.913 20 5 FFBDHN CN(CCCC(C)(C)C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001195487742 1004975971 /nfs/dbraw/zinc/97/59/71/1004975971.db2.gz KKVUJHWTCYHOGL-UHFFFAOYSA-N 0 3 357.476 2.631 20 5 FFBDHN CCCCCNC(=O)C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776578755 1005958864 /nfs/dbraw/zinc/95/88/64/1005958864.db2.gz IUMGCXRLTDLZHF-GOSISDBHSA-N 0 3 363.458 2.647 20 5 FFBDHN O=C1c2ccccc2C(=O)N1CCCCNCc1ccccc1[N+](=O)[O-] ZINC000111394244 1006427147 /nfs/dbraw/zinc/42/71/47/1006427147.db2.gz LXPWGAACBNYAOP-UHFFFAOYSA-N 0 3 353.378 2.761 20 5 FFBDHN CCc1[nH]nc(C(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@H]32)c1[N+](=O)[O-] ZINC000854514036 1006869229 /nfs/dbraw/zinc/86/92/29/1006869229.db2.gz VFJIVQNHIDAIRG-CZUORRHYSA-N 0 3 369.425 2.637 20 5 FFBDHN O=[N+]([O-])c1cn(CN2CCC[C@H]2C2CCOCC2)nc1-c1ccncc1 ZINC000776769743 1007059634 /nfs/dbraw/zinc/05/96/34/1007059634.db2.gz HREKCMHVWDZTGZ-INIZCTEOSA-N 0 3 357.414 2.702 20 5 FFBDHN O=C(NCC1CCN(Cc2ccncc2)CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000855527080 1007396183 /nfs/dbraw/zinc/39/61/83/1007396183.db2.gz AEOWLCBHFMUNBQ-UHFFFAOYSA-N 0 3 372.400 2.771 20 5 FFBDHN Cc1ccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)c(O[C@H]2CCOC2)c1 ZINC000819157850 1008046483 /nfs/dbraw/zinc/04/64/83/1008046483.db2.gz YDEKXEVMCYDPEW-OALUTQOASA-N 0 3 372.421 2.894 20 5 FFBDHN O=C(COc1cccc([N+](=O)[O-])c1)O[C@H]1CCN(Cc2ccccc2)C1 ZINC000117100641 1008761732 /nfs/dbraw/zinc/76/17/32/1008761732.db2.gz BPWLBXLIQUDPOD-SFHVURJKSA-N 0 3 356.378 2.791 20 5 FFBDHN COc1ccc([C@H](CN(C)C)NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000823944803 1009286966 /nfs/dbraw/zinc/28/69/66/1009286966.db2.gz CYVMGLJFSKWANI-INIZCTEOSA-N 0 3 373.413 2.610 20 5 FFBDHN Cc1n[nH]c(C)c1[C@H]1CCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000130601030 1009351682 /nfs/dbraw/zinc/35/16/82/1009351682.db2.gz QILUOPAPUCFFIS-DOTOQJQBSA-N 0 3 360.414 2.512 20 5 FFBDHN C[C@@H](N[C@H]1CCc2ccccc2OC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000509520287 1009533967 /nfs/dbraw/zinc/53/39/67/1009533967.db2.gz CHOMXCUOLPDUSM-CJNGLKHVSA-N 0 3 355.394 2.905 20 5 FFBDHN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2CCN2C2CCCC2)cc1[N+](=O)[O-] ZINC000863029189 1010084745 /nfs/dbraw/zinc/08/47/45/1010084745.db2.gz BDHNURBAOMKPGK-CQSZACIVSA-N 0 3 362.386 2.558 20 5 FFBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000794589872 1010409934 /nfs/dbraw/zinc/40/99/34/1010409934.db2.gz BUKFSCJKFAHANU-WMHRWZGDSA-N 0 3 367.405 2.813 20 5 FFBDHN CN(C)C[C@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])c2ccccc2O1 ZINC000866620323 1011024302 /nfs/dbraw/zinc/02/43/02/1011024302.db2.gz KNZBHGJIMDEOMP-AWEZNQCLSA-N 0 3 373.384 2.632 20 5 FFBDHN O=[N+]([O-])c1cc(F)c(N2CCC(N3CCN(C4CC4)CC3)CC2)c(F)c1 ZINC001173014350 1012184627 /nfs/dbraw/zinc/18/46/27/1012184627.db2.gz OZECVNNJDFLKDM-UHFFFAOYSA-N 0 3 366.412 2.622 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@H]2Cc3ccccc3NC2=O)c1F ZINC001173180007 1012322342 /nfs/dbraw/zinc/32/23/42/1012322342.db2.gz RYSYMEOIDBASPW-NHYWBVRUSA-N 0 3 373.384 2.827 20 5 FFBDHN CCN(CC)C(=O)[C@@H](C)N[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173180340 1012323432 /nfs/dbraw/zinc/32/34/32/1012323432.db2.gz VOEVIKVDPRUJGX-NWDGAFQWSA-N 0 3 355.410 2.520 20 5 FFBDHN COc1ccnc(O[C@H]2CCCN([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001173237402 1012382911 /nfs/dbraw/zinc/38/29/11/1012382911.db2.gz JCIWXWOGPJNBGO-PBHICJAKSA-N 0 3 372.425 2.868 20 5 FFBDHN O=C1CN(CN(C2CC2)C2CCCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000726586686 1020490168 /nfs/dbraw/zinc/49/01/68/1020490168.db2.gz NKUGCEGYUYGAMJ-UHFFFAOYSA-N 0 3 358.398 2.728 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)c1C ZINC000900980377 1020763218 /nfs/dbraw/zinc/76/32/18/1020763218.db2.gz KSOASDZKRNVSOL-HUUCEWRRSA-N 0 3 363.458 2.831 20 5 FFBDHN Cc1cc(F)cc(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000753080234 1023264976 /nfs/dbraw/zinc/26/49/76/1023264976.db2.gz FLBMMWVRGWEODY-MRXNPFEDSA-N 0 3 359.401 2.945 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000758333644 1024049205 /nfs/dbraw/zinc/04/92/05/1024049205.db2.gz IBKWGNVHDYLNJH-KDOFPFPSSA-N 0 3 372.469 2.798 20 5 FFBDHN CN1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC12CCCCC2 ZINC001141153740 1025535148 /nfs/dbraw/zinc/53/51/48/1025535148.db2.gz QHDLZWJXURCGNW-UHFFFAOYSA-N 0 3 360.458 2.874 20 5 FFBDHN C[C@@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000780763777 1028798437 /nfs/dbraw/zinc/79/84/37/1028798437.db2.gz OETHTRVLMBGZPI-YJBOKZPZSA-N 0 3 357.458 2.882 20 5 FFBDHN O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCNC[C@@H]1c1cccs1 ZINC001156099537 1029047514 /nfs/dbraw/zinc/04/75/14/1029047514.db2.gz YNKCGPUZMGAUBA-SSDOTTSWSA-N 0 3 360.226 2.904 20 5 FFBDHN NCc1nn(-c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)c2ccccc12 ZINC001156865333 1029382217 /nfs/dbraw/zinc/38/22/17/1029382217.db2.gz VVFIHLOBUWUELO-UHFFFAOYSA-N 0 3 364.340 2.989 20 5 FFBDHN N[C@H](C(=O)Nc1cc2cccnc2c2ncccc12)C1CCC(O)CC1 ZINC001218979376 1033441483 /nfs/dbraw/zinc/44/14/83/1033441483.db2.gz FUERBJJOICVOEP-AJUCZRQESA-N 0 3 350.422 2.600 20 5 FFBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001139628009 1035183756 /nfs/dbraw/zinc/18/37/56/1035183756.db2.gz KTHVJMSMIFABEU-CQSZACIVSA-N 0 3 356.426 2.887 20 5 FFBDHN COC(=O)[C@H](O)CNc1cc2nc3cc(N(C)C)ccc3cc2cc1C ZINC001252433377 1039536966 /nfs/dbraw/zinc/53/69/66/1039536966.db2.gz LWFSGYBJKMMRBQ-LJQANCHMSA-N 0 3 353.422 2.708 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCNC[C@@H]2C(F)(F)F)c1F ZINC001246993454 1039567061 /nfs/dbraw/zinc/56/70/61/1039567061.db2.gz TWKCBTMPBISCID-TVQRCGJNSA-N 0 3 365.327 2.510 20 5 FFBDHN O=C(NC[C@@H]1CCCCN1CCO)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001210683433 1039668773 /nfs/dbraw/zinc/66/87/73/1039668773.db2.gz UCIFTXSDARGSGU-AWEZNQCLSA-N 0 3 372.425 2.716 20 5 FFBDHN CCOC(=O)C[C@@H](N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccnc1 ZINC001254578080 1040812329 /nfs/dbraw/zinc/81/23/29/1040812329.db2.gz IZJRBBWVNVCZAH-FUHWJXTLSA-N 0 3 355.394 2.741 20 5 FFBDHN O=C1Nc2cc(Cl)ccc2C[C@H]1N[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581572 1040815013 /nfs/dbraw/zinc/81/50/13/1040815013.db2.gz OLLMVZPBJJOFHI-RHSMWYFYSA-N 0 3 357.797 2.868 20 5 FFBDHN COC(=O)c1ccc2c(c1)CCN([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254594431 1040821465 /nfs/dbraw/zinc/82/14/65/1040821465.db2.gz QWBIMSMIGAYEMJ-IBGZPJMESA-N 0 3 352.390 2.907 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](n1nc(C(F)(F)F)c3c1CCNC3)C2 ZINC001254608084 1040836852 /nfs/dbraw/zinc/83/68/52/1040836852.db2.gz OZTJSENNNHEZLM-LBPRGKRZSA-N 0 3 352.316 2.796 20 5 FFBDHN COc1ccc(O[C@@H]2CCN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)nc1 ZINC001254612161 1040842133 /nfs/dbraw/zinc/84/21/33/1040842133.db2.gz VOQVWGVIPOALTC-FUHWJXTLSA-N 0 3 355.394 2.619 20 5 FFBDHN CS[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1N(C)C ZINC001321061000 1045527757 /nfs/dbraw/zinc/52/77/57/1045527757.db2.gz TWAHAJPIBBPWIF-QWHCGFSZSA-N 0 3 358.851 2.758 20 5 FFBDHN CC1(C)[C@H](NCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@H]2CCCO[C@@H]21 ZINC001324732946 1046194253 /nfs/dbraw/zinc/19/42/53/1046194253.db2.gz DMYPBBJJVVEXEX-LYRGGWFBSA-N 0 3 367.833 2.980 20 5 FFBDHN COC1CCN(CCNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)CC1 ZINC001327660640 1047987522 /nfs/dbraw/zinc/98/75/22/1047987522.db2.gz SSIYBXYKCGJFAB-UHFFFAOYSA-N 0 3 365.821 2.714 20 5 FFBDHN CC(C)n1ncc2c1[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC001329139601 1048593085 /nfs/dbraw/zinc/59/30/85/1048593085.db2.gz AYJBHBLXOHHRFQ-JKSUJKDBSA-N 0 3 374.441 2.779 20 5 FFBDHN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)Nc1cnc2c(c1)CNCC2 ZINC001340261036 1050666968 /nfs/dbraw/zinc/66/69/68/1050666968.db2.gz FIHMKRKTTNLNLV-UHFFFAOYSA-N 0 3 360.801 2.860 20 5 FFBDHN C[C@@H]1[C@H](NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CCN1C ZINC001303800972 1051450615 /nfs/dbraw/zinc/45/06/15/1051450615.db2.gz KHPOSVGFDNCRIL-GDBMZVCRSA-N 0 3 360.458 2.654 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(Cc2nc([C@@H]3C[C@H]3C)no2)CC1 ZINC001307907542 1052365581 /nfs/dbraw/zinc/36/55/81/1052365581.db2.gz LNODCXIUDUUNCR-IUODEOHRSA-N 0 3 374.445 2.561 20 5 FFBDHN COC(=O)C1(CNCc2ccc(O)c(OC)c2[N+](=O)[O-])CCCCC1 ZINC001308681516 1052485956 /nfs/dbraw/zinc/48/59/56/1052485956.db2.gz CQXNLDANUBKSPL-UHFFFAOYSA-N 0 3 352.387 2.522 20 5 FFBDHN COC(=O)C1(C[NH2+]Cc2ccc([O-])c(OC)c2[N+](=O)[O-])CCCCC1 ZINC001308681516 1052485959 /nfs/dbraw/zinc/48/59/59/1052485959.db2.gz CQXNLDANUBKSPL-UHFFFAOYSA-N 0 3 352.387 2.522 20 5 FFBDHN C[C@@H](CN1CCCCC1)NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001543577169 1071502261 /nfs/dbraw/zinc/50/22/61/1071502261.db2.gz ADLDXIPZMAFVNS-ZDUSSCGKSA-N 0 3 356.426 2.934 20 5 FFBDHN O=[N+]([O-])c1ccc([C@H](O)CNC[C@@](O)(c2ccccc2)C(F)(F)F)cc1 ZINC001356586690 1055597646 /nfs/dbraw/zinc/59/76/46/1055597646.db2.gz VWPZGMIANISAOH-HZPDHXFCSA-N 0 3 370.327 2.668 20 5 FFBDHN COCCN1CCC[C@H](Nc2c3cccc(Cl)c3ncc2[N+](=O)[O-])C1 ZINC001458449384 1060593675 /nfs/dbraw/zinc/59/36/75/1060593675.db2.gz ZYQUOXVUJHYSCE-LBPRGKRZSA-N 0 3 364.833 2.741 20 5 FFBDHN Cc1c(CO)cc([N+](=O)[O-])c(N[C@H]2CCCN3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000848783912 1060689671 /nfs/dbraw/zinc/68/96/71/1060689671.db2.gz GKAJAKWLSTVLHX-KBPBESRZSA-N 0 3 364.402 2.733 20 5 FFBDHN COc1ccc(C[C@@H]2CCN2C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC001459656058 1060788360 /nfs/dbraw/zinc/78/83/60/1060788360.db2.gz OTECNLBVYGBCKH-IRXDYDNUSA-N 0 3 372.421 2.660 20 5 FFBDHN Cc1c(CNC[C@H](O)COc2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC001461167747 1061234062 /nfs/dbraw/zinc/23/40/62/1061234062.db2.gz SSIJXTYNQPXKHX-ZDUSSCGKSA-N 0 3 352.337 2.711 20 5 FFBDHN O=C(CCN1CCC(c2ncccn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC001560157969 1076238298 /nfs/dbraw/zinc/23/82/98/1076238298.db2.gz WCTHTPMUPFEHKI-UHFFFAOYSA-N 0 3 355.398 2.593 20 5 FFBDHN Cc1ccc(CN2CCO[C@H](CNCc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC001560561570 1076280209 /nfs/dbraw/zinc/28/02/09/1076280209.db2.gz SHPHSFAUFQMEOW-HXUWFJFHSA-N 0 3 355.438 2.894 20 5 FFBDHN CCOC[C@@H](NCC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-])C(C)C ZINC000285703739 257000455 /nfs/dbraw/zinc/00/04/55/257000455.db2.gz CVZDWYHOCSVEOX-OAHLLOKOSA-N 0 3 353.419 2.583 20 5 FFBDHN O=C(Cc1ccccc1[N+](=O)[O-])NC1CCN(CCc2ccccc2)CC1 ZINC000027938634 249346491 /nfs/dbraw/zinc/34/64/91/249346491.db2.gz HBYOKTSPIHIXKA-UHFFFAOYSA-N 0 3 367.449 2.961 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000093064781 250015607 /nfs/dbraw/zinc/01/56/07/250015607.db2.gz BMMHUSDBSOATTJ-UHFFFAOYSA-N 0 3 354.410 2.945 20 5 FFBDHN CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000192566730 251290025 /nfs/dbraw/zinc/29/00/25/251290025.db2.gz KJKNQQWSEQKCHW-UHFFFAOYSA-N 0 3 373.457 2.688 20 5 FFBDHN CN1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)[C@@H]2C1 ZINC000272697275 252105470 /nfs/dbraw/zinc/10/54/70/252105470.db2.gz YATUKULQLRCZTN-IINYFYTJSA-N 0 3 368.231 2.524 20 5 FFBDHN Cc1cc(N2CC[C@@H](CN3CCOCC3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272881445 252154960 /nfs/dbraw/zinc/15/49/60/252154960.db2.gz VQVXYNHCLTZCFQ-HNNXBMFYSA-N 0 3 356.426 2.610 20 5 FFBDHN CC(C)NC(=O)c1ccc(N2CCC[C@H]3CN(C)CC[C@@H]32)c([N+](=O)[O-])c1 ZINC000277087713 256160393 /nfs/dbraw/zinc/16/03/93/256160393.db2.gz VFLMFYXWPBPFIS-HOTGVXAUSA-N 0 3 360.458 2.654 20 5 FFBDHN CCOC(=O)[C@H](C)[C@H](C)N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000283319754 256867225 /nfs/dbraw/zinc/86/72/25/256867225.db2.gz ZOIPDKNZJYOJNT-VWYCJHECSA-N 0 3 371.821 2.753 20 5 FFBDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000286285111 257029255 /nfs/dbraw/zinc/02/92/55/257029255.db2.gz IJZDKMSTEYKOKN-XJKSGUPXSA-N 0 3 358.442 2.550 20 5 FFBDHN C[C@@H](Nc1ccc(C(=O)N[C@@H](C)CN(C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC000286866625 257059192 /nfs/dbraw/zinc/05/91/92/257059192.db2.gz CPRCRAKITWTVKM-UONOGXRCSA-N 0 3 371.441 2.843 20 5 FFBDHN CN1CCN(CC2CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)CC1 ZINC000289410692 257279734 /nfs/dbraw/zinc/27/97/34/257279734.db2.gz HTQBLSJUCCFDIZ-UHFFFAOYSA-N 0 3 366.893 2.708 20 5 FFBDHN COc1cc(CN[C@@H](CO)C2CCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000289441346 257281270 /nfs/dbraw/zinc/28/12/70/257281270.db2.gz FBCORJTVKXFAJC-ZDUSSCGKSA-N 0 3 374.384 2.888 20 5 FFBDHN CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCOC(C)(C)C1 ZINC000289672322 257293227 /nfs/dbraw/zinc/29/32/27/257293227.db2.gz GAHKTYBHZUEHLE-AWEZNQCLSA-N 0 3 365.430 2.821 20 5 FFBDHN COC[C@@]1(CNCc2ccc(OC)c([N+](=O)[O-])c2)OCCc2ccccc21 ZINC000289873816 257304115 /nfs/dbraw/zinc/30/41/15/257304115.db2.gz PGBZPSLOJACTQM-HXUWFJFHSA-N 0 3 372.421 2.808 20 5 FFBDHN Cc1ncsc1CN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000289586925 257288620 /nfs/dbraw/zinc/28/86/20/257288620.db2.gz RUBQMHYXGPWOCW-UHFFFAOYSA-N 0 3 372.454 2.948 20 5 FFBDHN O=C(Nc1ccc2c(c1)CNCCO2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000291058777 257378145 /nfs/dbraw/zinc/37/81/45/257378145.db2.gz KTOLBTNVVAOTMT-UHFFFAOYSA-N 0 3 368.393 2.903 20 5 FFBDHN CC(=O)Nc1ccc(OC[C@@H](O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000294949108 257609544 /nfs/dbraw/zinc/60/95/44/257609544.db2.gz AQTNFKVMIFZOPH-UGSOOPFHSA-N 0 3 373.409 2.644 20 5 FFBDHN C[C@@H]1CN(CC2CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)C[C@@H](C)O1 ZINC000301274959 258039039 /nfs/dbraw/zinc/03/90/39/258039039.db2.gz LPGKXMGKVITGLZ-CHWSQXEVSA-N 0 3 368.865 2.969 20 5 FFBDHN O=[N+]([O-])c1cnc2ccc(NC[C@@H](c3ccccc3)N3CCCC3)nn21 ZINC000301871189 258071988 /nfs/dbraw/zinc/07/19/88/258071988.db2.gz CWKQDQRBFPQHDN-HNNXBMFYSA-N 0 3 352.398 2.887 20 5 FFBDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000331387547 258184319 /nfs/dbraw/zinc/18/43/19/258184319.db2.gz CYTIIIODYJXXMR-KBPBESRZSA-N 0 3 367.833 2.574 20 5 FFBDHN CS[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@@H]1N(C)C ZINC000331473382 258187596 /nfs/dbraw/zinc/18/75/96/258187596.db2.gz KVIYIUIWOLMNNJ-WFASDCNBSA-N 0 3 365.480 2.927 20 5 FFBDHN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC[C@H](N2CCCC2)C1 ZINC000332298151 258224071 /nfs/dbraw/zinc/22/40/71/258224071.db2.gz HIYPFMFISOHWGF-ZDUSSCGKSA-N 0 3 369.368 2.897 20 5 FFBDHN CCc1[nH]nc(C(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)c1[N+](=O)[O-] ZINC000373068274 512156211 /nfs/dbraw/zinc/15/62/11/512156211.db2.gz FEGRBZVMEYUVQO-CQSZACIVSA-N 0 3 371.441 2.617 20 5 FFBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000121007194 509108129 /nfs/dbraw/zinc/10/81/29/509108129.db2.gz AQQSGDRHZLQPAI-GWCFXTLKSA-N 0 3 370.247 2.770 20 5 FFBDHN CN1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H](c2ccccc2)C1 ZINC000032313888 506241269 /nfs/dbraw/zinc/24/12/69/506241269.db2.gz RZSNWLFJHUURRB-KRWDZBQOSA-N 0 3 365.393 2.600 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000053372775 506366299 /nfs/dbraw/zinc/36/62/99/506366299.db2.gz MFIBORJCAGGIGF-SFHVURJKSA-N 0 3 354.410 2.865 20 5 FFBDHN CNC(=O)c1ccc(NCCCN2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000053558654 506405483 /nfs/dbraw/zinc/40/54/83/506405483.db2.gz OXUUJMIJSFRAFO-UHFFFAOYSA-N 0 3 368.437 2.815 20 5 FFBDHN COCCN(C)CCCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000041967153 506573934 /nfs/dbraw/zinc/57/39/34/506573934.db2.gz HXOZRAJDLMSHFJ-UHFFFAOYSA-N 0 3 351.447 2.590 20 5 FFBDHN CN(C)[C@@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000011595247 506783185 /nfs/dbraw/zinc/78/31/85/506783185.db2.gz FCMORHULQWFBFD-SFHVURJKSA-N 0 3 356.426 2.816 20 5 FFBDHN O=C(C1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1)N1CCCC1 ZINC000055900447 506880804 /nfs/dbraw/zinc/88/08/04/506880804.db2.gz XFRXTNNCXPDLLU-UHFFFAOYSA-N 0 3 361.442 2.698 20 5 FFBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000056168277 506952945 /nfs/dbraw/zinc/95/29/45/506952945.db2.gz LMBOFUVLFJHPMG-WFASDCNBSA-N 0 3 372.400 2.881 20 5 FFBDHN O=C(NCCCN1CCc2ccccc2C1)NCc1ccc([N+](=O)[O-])cc1 ZINC000057005313 507144455 /nfs/dbraw/zinc/14/44/55/507144455.db2.gz LHFUKQJPWBAMCZ-UHFFFAOYSA-N 0 3 368.437 2.842 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000057348892 507244905 /nfs/dbraw/zinc/24/49/05/507244905.db2.gz NQNMGQUYQUGNBG-HNNXBMFYSA-N 0 3 352.394 2.923 20 5 FFBDHN Cc1cc(C(=O)NCc2cccc(OCCN(C)C)c2)ccc1[N+](=O)[O-] ZINC000047673036 507377632 /nfs/dbraw/zinc/37/76/32/507377632.db2.gz LHYOEWAWINXGBJ-UHFFFAOYSA-N 0 3 357.410 2.774 20 5 FFBDHN CN1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])Cc2ccccc21 ZINC000069091052 507405023 /nfs/dbraw/zinc/40/50/23/507405023.db2.gz BQWYHWQQGUFGSW-UHFFFAOYSA-N 0 3 354.410 2.875 20 5 FFBDHN CN(C)CCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000069139625 507419895 /nfs/dbraw/zinc/41/98/95/507419895.db2.gz FGKBQBNKPKWYCU-UHFFFAOYSA-N 0 3 353.382 2.680 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](C)CN2CCCCC2)cc1C ZINC000060507083 507554915 /nfs/dbraw/zinc/55/49/15/507554915.db2.gz JBNPSPXBYJKJPX-ZDUSSCGKSA-N 0 3 369.487 2.612 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]1CN1CCCCC1 ZINC000072603516 507829878 /nfs/dbraw/zinc/82/98/78/507829878.db2.gz MTDNLYTUFPOFIW-KRWDZBQOSA-N 0 3 360.458 2.792 20 5 FFBDHN Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000073108715 507894658 /nfs/dbraw/zinc/89/46/58/507894658.db2.gz DCASTSKFXKTQSI-CQSZACIVSA-N 0 3 362.386 2.512 20 5 FFBDHN COc1ccc(OCCN2CCC[C@H](Cc3nccn3C)C2)c([N+](=O)[O-])c1 ZINC000090004206 507900377 /nfs/dbraw/zinc/90/03/77/507900377.db2.gz NZCVAFPRVALXHZ-OAHLLOKOSA-N 0 3 374.441 2.670 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000110353427 508023252 /nfs/dbraw/zinc/02/32/52/508023252.db2.gz NZNVYASHWSGXEM-AWEZNQCLSA-N 0 3 357.410 2.854 20 5 FFBDHN C[C@H](Nc1ccc(C(=O)N(C)CCN(C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC000080390201 508069976 /nfs/dbraw/zinc/06/99/76/508069976.db2.gz KRLITKCDEOFUSF-AWEZNQCLSA-N 0 3 371.441 2.797 20 5 FFBDHN Cc1c(NC(=O)CCN2CCC[C@@H](c3ncc[nH]3)C2)cccc1[N+](=O)[O-] ZINC000080959611 508117339 /nfs/dbraw/zinc/11/73/39/508117339.db2.gz AKDWPACILQYNDU-CQSZACIVSA-N 0 3 357.414 2.835 20 5 FFBDHN CNC(=O)[C@H]1CCCN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000093360915 508142531 /nfs/dbraw/zinc/14/25/31/508142531.db2.gz KIVSVJYDWSRQQQ-ZDUSSCGKSA-N 0 3 373.409 2.821 20 5 FFBDHN O=[N+]([O-])c1c2cccnc2ccc1N1CCC(CN2CCOCC2)CC1 ZINC000112074555 508148650 /nfs/dbraw/zinc/14/86/50/508148650.db2.gz FQWSFZUIEBKSAK-UHFFFAOYSA-N 0 3 356.426 2.692 20 5 FFBDHN Cc1nc2n(n1)C[C@@H](NCc1cc(=O)oc3ccc4ccccc4c13)CC2 ZINC000112549082 508195065 /nfs/dbraw/zinc/19/50/65/508195065.db2.gz MRYFAWIHQJBYGH-INIZCTEOSA-N 0 3 360.417 2.951 20 5 FFBDHN CN(C)[C@@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000087007368 508331323 /nfs/dbraw/zinc/33/13/23/508331323.db2.gz LKGUMZLINNWNGD-LJQANCHMSA-N 0 3 355.438 2.817 20 5 FFBDHN CN(C)CCN(Cc1ccco1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000088250410 508361750 /nfs/dbraw/zinc/36/17/50/508361750.db2.gz STGYTSUHVIGLEB-UHFFFAOYSA-N 0 3 365.817 2.974 20 5 FFBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000121766292 508413667 /nfs/dbraw/zinc/41/36/67/508413667.db2.gz AMXWYLXBAYOXQI-LLVKDONJSA-N 0 3 368.231 2.571 20 5 FFBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000121766440 508413679 /nfs/dbraw/zinc/41/36/79/508413679.db2.gz AMXWYLXBAYOXQI-NSHDSACASA-N 0 3 368.231 2.571 20 5 FFBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000152280970 508415057 /nfs/dbraw/zinc/41/50/57/508415057.db2.gz KBNAVHRAMPMIFJ-HOCLYGCPSA-N 0 3 357.414 2.503 20 5 FFBDHN CCC[C@H]1CN(Cc2ccc(OC)c([N+](=O)[O-])c2)CCN1CCOC ZINC000121795265 508420659 /nfs/dbraw/zinc/42/06/59/508420659.db2.gz MBRJACAAXVOYHZ-INIZCTEOSA-N 0 3 351.447 2.536 20 5 FFBDHN CCCc1n[nH]c(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000156620768 508451789 /nfs/dbraw/zinc/45/17/89/508451789.db2.gz CDVJBGKBCXQYCM-XJKSGUPXSA-N 0 3 371.441 2.521 20 5 FFBDHN CC(C)N(CCN(C)C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000156758411 508473063 /nfs/dbraw/zinc/47/30/63/508473063.db2.gz XVUDQBXXSRHRKE-UHFFFAOYSA-N 0 3 358.236 2.770 20 5 FFBDHN C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CCN1C ZINC000127658119 508482420 /nfs/dbraw/zinc/48/24/20/508482420.db2.gz MNHINQYJDLCRGJ-LSDHHAIUSA-N 0 3 360.458 2.750 20 5 FFBDHN O=C(N[C@H]1CCN(CC2CC2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000152738029 508505513 /nfs/dbraw/zinc/50/55/13/508505513.db2.gz JGDWDJRHRYZJLL-INIZCTEOSA-N 0 3 358.442 2.753 20 5 FFBDHN CC1CCN(CCNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116727604 508552321 /nfs/dbraw/zinc/55/23/21/508552321.db2.gz KZLYZCGOGBOVJX-UHFFFAOYSA-N 0 3 369.849 2.865 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000134918859 508575292 /nfs/dbraw/zinc/57/52/92/508575292.db2.gz SPTFVWARVUCHDM-GOEBONIOSA-N 0 3 369.421 2.996 20 5 FFBDHN CCOc1ccc([C@@H](C)NC[C@H]2CCCN2CCOC)cc1[N+](=O)[O-] ZINC000153553892 508596342 /nfs/dbraw/zinc/59/63/42/508596342.db2.gz YVEAPJWMEWWIOJ-GDBMZVCRSA-N 0 3 351.447 2.755 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CN1C1CC1 ZINC000123097834 508635688 /nfs/dbraw/zinc/63/56/88/508635688.db2.gz CQSMOVYZORALHT-ZFWWWQNUSA-N 0 3 358.442 2.894 20 5 FFBDHN Cc1nn(C)c(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)c1[N+](=O)[O-] ZINC000129247397 508703396 /nfs/dbraw/zinc/70/33/96/508703396.db2.gz SULRYABJYFMDGD-MRXNPFEDSA-N 0 3 371.441 2.512 20 5 FFBDHN CN(C)[C@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000136917664 508724858 /nfs/dbraw/zinc/72/48/58/508724858.db2.gz LYRIDWVJEUDMLJ-IBGZPJMESA-N 0 3 370.453 2.609 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 ZINC000137527409 508759113 /nfs/dbraw/zinc/75/91/13/508759113.db2.gz AGYDHZJKODIEMD-QAPCUYQASA-N 0 3 353.422 2.917 20 5 FFBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Br)CCN1C ZINC000123977783 508766394 /nfs/dbraw/zinc/76/63/94/508766394.db2.gz GICDPHFVCUAYNX-MNOVXSKESA-N 0 3 370.247 2.912 20 5 FFBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(C2CCCCC2)CC1 ZINC000141742775 508818744 /nfs/dbraw/zinc/81/87/44/508818744.db2.gz QYZZNILGRLOMDA-HNNXBMFYSA-N 0 3 360.458 2.872 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000119677202 508841960 /nfs/dbraw/zinc/84/19/60/508841960.db2.gz UYOOUKDRAJTEKV-BEFAXECRSA-N 0 3 369.421 2.610 20 5 FFBDHN CC(C)C(=O)NCCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000120294336 508966498 /nfs/dbraw/zinc/96/64/98/508966498.db2.gz ARMMYCGRRVJNBA-UHFFFAOYSA-N 0 3 362.455 2.970 20 5 FFBDHN CCN1CCC[C@@H]1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000160699741 509021911 /nfs/dbraw/zinc/02/19/11/509021911.db2.gz GIHHPMAPXBKZJJ-GFCCVEGCSA-N 0 3 356.220 2.571 20 5 FFBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H](c1ccco1)N(C)C ZINC000121019401 509111316 /nfs/dbraw/zinc/11/13/16/509111316.db2.gz BDMNDEUPVUELMS-CZUORRHYSA-N 0 3 360.414 2.797 20 5 FFBDHN COc1ccc([C@H](CNc2ncc([N+](=O)[O-])s2)N(C)C)cc1OC ZINC000195505863 509200597 /nfs/dbraw/zinc/20/05/97/509200597.db2.gz CTHIGQQTGUZUBD-NSHDSACASA-N 0 3 352.416 2.783 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@H]3CCOC3)CC2)c(C(F)(F)F)c1 ZINC000263885669 509207527 /nfs/dbraw/zinc/20/75/27/509207527.db2.gz PHIVOHYKXMLFCP-GFCCVEGCSA-N 0 3 359.348 2.772 20 5 FFBDHN CN(C)[C@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000191884918 509229811 /nfs/dbraw/zinc/22/98/11/509229811.db2.gz ZCYIFYJLZPUDTO-QGZVFWFLSA-N 0 3 369.487 2.525 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C)[C@@H]1COc2ccccc21 ZINC000185593745 509255685 /nfs/dbraw/zinc/25/56/85/509255685.db2.gz YCHYXPACWNUKPD-BBRMVZONSA-N 0 3 355.394 2.996 20 5 FFBDHN COc1ccc(NC(=O)CCN2CCC[C@@H](c3ncc[nH]3)C2)c([N+](=O)[O-])c1 ZINC000266944796 509270816 /nfs/dbraw/zinc/27/08/16/509270816.db2.gz SIDKHURHZWKAPR-CYBMUJFWSA-N 0 3 373.413 2.535 20 5 FFBDHN O=[N+]([O-])c1cnn(CCN[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000192090701 509341840 /nfs/dbraw/zinc/34/18/40/509341840.db2.gz PZYWWZGUIYBSRG-GJZGRUSLSA-N 0 3 354.769 2.704 20 5 FFBDHN C[C@H]1CN(C2CCN(Cc3c(Cl)cccc3[N+](=O)[O-])CC2)CCO1 ZINC000163420104 509374830 /nfs/dbraw/zinc/37/48/30/509374830.db2.gz ZHEYENUVIQEZRU-ZDUSSCGKSA-N 0 3 353.850 2.933 20 5 FFBDHN Cn1cnc([N+](=O)[O-])c1NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000267252509 509412804 /nfs/dbraw/zinc/41/28/04/509412804.db2.gz ZRKXRZCEKBYOIP-UHFFFAOYSA-N 0 3 373.457 2.812 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@H](N3CCCCC3)C2)c1 ZINC000264534361 509585723 /nfs/dbraw/zinc/58/57/23/509585723.db2.gz ZFSQLGQLBGZDFY-INIZCTEOSA-N 0 3 361.442 2.759 20 5 FFBDHN COc1ccc(NC(=O)CN[C@H]2CCCO[C@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000186364081 509670434 /nfs/dbraw/zinc/67/04/34/509670434.db2.gz BYUVBGUGXFKAOE-RDJZCZTQSA-N 0 3 365.430 2.725 20 5 FFBDHN CCC[C@@H](O)CNCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000264843696 509735986 /nfs/dbraw/zinc/73/59/86/509735986.db2.gz JJBKIIMFGKVIHN-LLVKDONJSA-N 0 3 366.336 2.795 20 5 FFBDHN C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000186494293 509737835 /nfs/dbraw/zinc/73/78/35/509737835.db2.gz UFFCAEVQXLPFME-IFXJQAMLSA-N 0 3 356.426 2.814 20 5 FFBDHN C[C@@H]1C[C@@H](N(C)C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCN1C ZINC000268186529 509803000 /nfs/dbraw/zinc/80/30/00/509803000.db2.gz WCQPBZVYHTYZJF-YPMHNXCESA-N 0 3 354.838 2.872 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCN(CC3CCOCC3)CC2)c2ncccc12 ZINC000265482147 510078652 /nfs/dbraw/zinc/07/86/52/510078652.db2.gz HWOZMDLPZAUVCM-UHFFFAOYSA-N 0 3 356.426 2.692 20 5 FFBDHN O=C(NC[C@H]1CCN(Cc2ccccc2)C1)Nc1ccncc1[N+](=O)[O-] ZINC000193874799 510109927 /nfs/dbraw/zinc/10/99/27/510109927.db2.gz NVGZTFVBZWGRBW-OAHLLOKOSA-N 0 3 355.398 2.633 20 5 FFBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](N2CCCCC2)C1 ZINC000265582493 510127285 /nfs/dbraw/zinc/12/72/85/510127285.db2.gz PVWUZZUEXLJZTO-OAHLLOKOSA-N 0 3 351.834 2.878 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC2CCN(C(C)(C)C)CC2)c1C ZINC000193918414 510127418 /nfs/dbraw/zinc/12/74/18/510127418.db2.gz YTLDSDBDLIVFMI-UHFFFAOYSA-N 0 3 369.487 2.753 20 5 FFBDHN C[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000187258778 510155244 /nfs/dbraw/zinc/15/52/44/510155244.db2.gz GJGJNJVUZNAXIF-FOIQADDNSA-N 0 3 370.453 2.839 20 5 FFBDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000180901292 510172769 /nfs/dbraw/zinc/17/27/69/510172769.db2.gz WANDDPSJVCAKDR-GFCCVEGCSA-N 0 3 363.414 2.564 20 5 FFBDHN COc1ccccc1[C@@H]1CNCCN1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000262263856 510224616 /nfs/dbraw/zinc/22/46/16/510224616.db2.gz RPCNQFCNDWRWHY-KRWDZBQOSA-N 0 3 357.410 2.759 20 5 FFBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000177801543 510260055 /nfs/dbraw/zinc/26/00/55/510260055.db2.gz QJTUSRHTDMDTRK-CVEARBPZSA-N 0 3 358.442 2.868 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H]2c2ccccc2Cl)c1 ZINC000174740425 510285343 /nfs/dbraw/zinc/28/53/43/510285343.db2.gz JPGQVJPDOLUNSU-BBRMVZONSA-N 0 3 350.806 2.643 20 5 FFBDHN O=[N+]([O-])c1cnn(CCN2CCC(CN3CCc4ccccc43)CC2)c1 ZINC000174857797 510347819 /nfs/dbraw/zinc/34/78/19/510347819.db2.gz IENDMNYYYMJDKO-UHFFFAOYSA-N 0 3 355.442 2.566 20 5 FFBDHN COc1cc(C(=O)N[C@H](CN(C)C)c2ccccc2)cc([N+](=O)[O-])c1OC ZINC000266028101 510367950 /nfs/dbraw/zinc/36/79/50/510367950.db2.gz VQIXWKMJGQLJIV-OAHLLOKOSA-N 0 3 373.409 2.645 20 5 FFBDHN Cc1ccc([C@@H](C)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000177999456 510368292 /nfs/dbraw/zinc/36/82/92/510368292.db2.gz DYHCLHUJBNAYLA-GFCCVEGCSA-N 0 3 369.468 2.594 20 5 FFBDHN O=C(CN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)NCCc1ccccc1 ZINC000181397764 510391056 /nfs/dbraw/zinc/39/10/56/510391056.db2.gz BCEFOCKWLHQFGS-LJQANCHMSA-N 0 3 367.449 2.864 20 5 FFBDHN CN(C)CCOc1ccccc1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000194677183 510475784 /nfs/dbraw/zinc/47/57/84/510475784.db2.gz WGPNLAAWIXMBBT-UHFFFAOYSA-N 0 3 372.425 2.535 20 5 FFBDHN CC(C)c1n[nH]c(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000269606569 510481260 /nfs/dbraw/zinc/48/12/60/510481260.db2.gz QHLOSAZHFDPERQ-HNNXBMFYSA-N 0 3 371.441 2.788 20 5 FFBDHN CC(C)c1[nH]nc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000269606569 510481266 /nfs/dbraw/zinc/48/12/66/510481266.db2.gz QHLOSAZHFDPERQ-HNNXBMFYSA-N 0 3 371.441 2.788 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(NCc2ccccc2CN2CCC(O)CC2)n1 ZINC000178241864 510505183 /nfs/dbraw/zinc/50/51/83/510505183.db2.gz XROCWSJWSYBKSS-UHFFFAOYSA-N 0 3 356.426 2.867 20 5 FFBDHN C[C@@H](CS(C)(=O)=O)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000172121772 510553368 /nfs/dbraw/zinc/55/33/68/510553368.db2.gz GYPXLPAGWHQWBX-NSHDSACASA-N 0 3 354.453 2.846 20 5 FFBDHN CN(Cc1ccc([N+](=O)[O-])cc1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188280843 510686968 /nfs/dbraw/zinc/68/69/68/510686968.db2.gz DEUCYHUQCXSIIG-HXUWFJFHSA-N 0 3 355.438 2.664 20 5 FFBDHN CCN1CCN(c2ccc(C(=O)NCc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000175749235 510768890 /nfs/dbraw/zinc/76/88/90/510768890.db2.gz UMVNETSBIOIVFQ-UHFFFAOYSA-N 0 3 368.437 2.667 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000185298452 510795223 /nfs/dbraw/zinc/79/52/23/510795223.db2.gz LNEGVGVUBPTELS-LJQANCHMSA-N 0 3 368.437 2.939 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H](Nc3ccccc3)C2)c1 ZINC000247032404 510809761 /nfs/dbraw/zinc/80/97/61/510809761.db2.gz ZVUUJJYWPSQMHX-IEBWSBKVSA-N 0 3 371.437 2.911 20 5 FFBDHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000247071009 510825186 /nfs/dbraw/zinc/82/51/86/510825186.db2.gz IWOGOPDOCXJNGW-GOEBONIOSA-N 0 3 360.458 2.654 20 5 FFBDHN C[C@@H](CN1CCCCCC1)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000185412447 510839040 /nfs/dbraw/zinc/83/90/40/510839040.db2.gz PFHOGGWIOYMNPR-HNNXBMFYSA-N 0 3 371.441 2.775 20 5 FFBDHN Cc1nc2sccn2c(=O)c1CCN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000285671827 511004160 /nfs/dbraw/zinc/00/41/60/511004160.db2.gz PVXXMMXWEJDRTI-LLVKDONJSA-N 0 3 358.423 2.866 20 5 FFBDHN CN1CCC[C@]2(CCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)C2)C1 ZINC000294372812 511042822 /nfs/dbraw/zinc/04/28/22/511042822.db2.gz ZMWQYUFARXSWCG-IBGZPJMESA-N 0 3 358.442 2.727 20 5 FFBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000270976785 511045044 /nfs/dbraw/zinc/04/50/44/511045044.db2.gz ITGYBNRNLAHXFM-OAHLLOKOSA-N 0 3 374.485 2.997 20 5 FFBDHN CS(=O)(=O)CC1CCC(NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000294428475 511060435 /nfs/dbraw/zinc/06/04/35/511060435.db2.gz UQPOKOAGNCYAHF-UHFFFAOYSA-N 0 3 360.863 2.941 20 5 FFBDHN C[C@@H]1C[C@H](N(C)C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CCN1C ZINC000279408200 511073284 /nfs/dbraw/zinc/07/32/84/511073284.db2.gz XBLXCHDOPRWBKL-ZYHUDNBSSA-N 0 3 357.813 2.871 20 5 FFBDHN C[C@H]1CS(=O)(=O)C[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000288459914 511076497 /nfs/dbraw/zinc/07/64/97/511076497.db2.gz DQEBATMFRYWXMF-XHDPSFHLSA-N 0 3 366.464 2.846 20 5 FFBDHN CN(c1ccc(NC(=O)CCC(C)(C)[N+](=O)[O-])cc1)C1CCN(C)CC1 ZINC000294481549 511079115 /nfs/dbraw/zinc/07/91/15/511079115.db2.gz OAQAZVUMLGVQJU-UHFFFAOYSA-N 0 3 362.474 2.991 20 5 FFBDHN O=C(NC[C@@H]1CCN(C2CC2)C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294593245 511113820 /nfs/dbraw/zinc/11/38/20/511113820.db2.gz QSJUATDPTCRGAM-JTQLQIEISA-N 0 3 357.332 2.828 20 5 FFBDHN CCOC1(C)CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000298182621 511201454 /nfs/dbraw/zinc/20/14/54/511201454.db2.gz ADYLNZSTOVKVFC-UHFFFAOYSA-N 0 3 365.430 2.823 20 5 FFBDHN CCOC(=O)[C@H](C)[C@@H](C)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000283019864 511202285 /nfs/dbraw/zinc/20/22/85/511202285.db2.gz GVDOIGVCKIWQFR-GMTAPVOTSA-N 0 3 371.821 2.753 20 5 FFBDHN C[C@@H]1[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000291678542 511294500 /nfs/dbraw/zinc/29/45/00/511294500.db2.gz CCGRDFZDNIAUAR-CJNGLKHVSA-N 0 3 354.410 2.570 20 5 FFBDHN COc1cc(CNCC[C@@H](C)CCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000295209893 511322627 /nfs/dbraw/zinc/32/26/27/511322627.db2.gz ZXCBXHRIBFIGQO-LLVKDONJSA-N 0 3 362.373 2.746 20 5 FFBDHN CN1CCN(CCCNC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000298775738 511407225 /nfs/dbraw/zinc/40/72/25/511407225.db2.gz FYOGJYUCTOUSLV-UHFFFAOYSA-N 0 3 362.477 2.755 20 5 FFBDHN CN1CCC[C@@]2(CCN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000295596110 511455397 /nfs/dbraw/zinc/45/53/97/511455397.db2.gz MQQRKZDHJZIJCL-LJQANCHMSA-N 0 3 359.426 2.502 20 5 FFBDHN CN1CC[C@]2(CCN(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000292177833 511494615 /nfs/dbraw/zinc/49/46/15/511494615.db2.gz FCFRFFZZVNAQOS-KRWDZBQOSA-N 0 3 366.849 2.528 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000296013420 511588412 /nfs/dbraw/zinc/58/84/12/511588412.db2.gz NQMXLOORRQLIRP-QGTPRVQTSA-N 0 3 359.426 2.779 20 5 FFBDHN CCOc1ccc([C@@H](O)C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000365833954 511677255 /nfs/dbraw/zinc/67/72/55/511677255.db2.gz RBOFLUUTGKIGCX-LJQANCHMSA-N 0 3 374.441 2.636 20 5 FFBDHN CC1(C)[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]2CCO[C@H]21 ZINC000296477774 511760062 /nfs/dbraw/zinc/76/00/62/511760062.db2.gz YEKASMLYMYNZJG-COLVAYQJSA-N 0 3 353.806 2.590 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)n1 ZINC000312597579 511785901 /nfs/dbraw/zinc/78/59/01/511785901.db2.gz FIHSRZPESIZCOC-DZGCQCFKSA-N 0 3 370.409 2.851 20 5 FFBDHN O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000366198521 511895960 /nfs/dbraw/zinc/89/59/60/511895960.db2.gz VFHPDRTWFUQDCD-INIZCTEOSA-N 0 3 354.410 2.632 20 5 FFBDHN CCC(=O)c1ccc(N[C@H]2CCN(C3CCN(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000366430237 512018177 /nfs/dbraw/zinc/01/81/77/512018177.db2.gz ICOUJTODVSCRBA-HNNXBMFYSA-N 0 3 360.458 2.768 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000411114542 512474724 /nfs/dbraw/zinc/47/47/24/512474724.db2.gz PCITUKIDPUDHQH-UHFFFAOYSA-N 0 3 363.439 2.869 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(Cc2cccnc2)CC1 ZINC000371688310 512528191 /nfs/dbraw/zinc/52/81/91/512528191.db2.gz FVELRWKZJNRVQG-SFHVURJKSA-N 0 3 371.437 2.684 20 5 FFBDHN CN1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000411419844 512628108 /nfs/dbraw/zinc/62/81/08/512628108.db2.gz PJVYOAXWXWGYDR-LJQANCHMSA-N 0 3 368.437 2.912 20 5 FFBDHN Cc1c(NC(=O)CCN2CCC(c3cn[nH]c3)CC2)cccc1[N+](=O)[O-] ZINC000376487922 512840229 /nfs/dbraw/zinc/84/02/29/512840229.db2.gz ZCLBUWANJQDXJN-UHFFFAOYSA-N 0 3 357.414 2.835 20 5 FFBDHN CNc1ccc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000380467297 512873289 /nfs/dbraw/zinc/87/32/89/512873289.db2.gz QGUCLXUUMAPSQZ-QGZVFWFLSA-N 0 3 368.437 2.983 20 5 FFBDHN O=C(CCN1CCOCC2(CCC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000370444589 512938378 /nfs/dbraw/zinc/93/83/78/512938378.db2.gz MNZKMJNMBUVNIW-UHFFFAOYSA-N 0 3 351.378 2.565 20 5 FFBDHN Cc1cc(C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)ccc1[N+](=O)[O-] ZINC000370502614 512966501 /nfs/dbraw/zinc/96/65/01/512966501.db2.gz HMZNENUOFFFUME-HNNXBMFYSA-N 0 3 355.394 2.873 20 5 FFBDHN CN(C)C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000370502349 512967257 /nfs/dbraw/zinc/96/72/57/512967257.db2.gz CTEGGBHJZKKCLC-QGZVFWFLSA-N 0 3 369.421 2.883 20 5 FFBDHN COc1cc(CN2CC[C@@H](C3CCOCC3)C2)c([N+](=O)[O-])cc1OC ZINC000370722209 513069928 /nfs/dbraw/zinc/06/99/28/513069928.db2.gz SGHPPXFKXZSJKB-CQSZACIVSA-N 0 3 350.415 2.861 20 5 FFBDHN CN(C)C1(CNC(=O)CCc2cccc([N+](=O)[O-])c2)Cc2ccccc2C1 ZINC000446036698 513169126 /nfs/dbraw/zinc/16/91/26/513169126.db2.gz UWVNESPTZJLWDF-UHFFFAOYSA-N 0 3 367.449 2.743 20 5 FFBDHN COc1cc(CN[C@@H]2C[C@H]3OCCC[C@@H]23)c([N+](=O)[O-])cc1OCC(F)F ZINC000439785343 513183317 /nfs/dbraw/zinc/18/33/17/513183317.db2.gz YMOTYUNHTPAWGQ-OUCADQQQSA-N 0 3 372.368 2.904 20 5 FFBDHN CC(C)N(Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C[C@@H](O)CO ZINC000421410200 513253406 /nfs/dbraw/zinc/25/34/06/513253406.db2.gz OUQQRPDBTGXFLO-CYBMUJFWSA-N 0 3 350.440 2.887 20 5 FFBDHN C[C@@H]1C[C@@H]1N1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H](C)C1 ZINC000429012728 513253515 /nfs/dbraw/zinc/25/35/15/513253515.db2.gz VBJJGKZGCYJVBE-CPUCHLNUSA-N 0 3 371.441 2.807 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000429024027 513259603 /nfs/dbraw/zinc/25/96/03/513259603.db2.gz GKGYHMQRHGBYCR-JLJPHGGASA-N 0 3 360.458 2.504 20 5 FFBDHN C[C@@H](CN1CCCCCC1)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450743232 513320497 /nfs/dbraw/zinc/32/04/97/513320497.db2.gz GGUUUUVGFZTXFZ-HNNXBMFYSA-N 0 3 371.441 2.775 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc2c(c1)CNC2 ZINC000415660657 513367957 /nfs/dbraw/zinc/36/79/57/513367957.db2.gz POKJLDUIDOHHQE-UHFFFAOYSA-N 0 3 356.382 2.918 20 5 FFBDHN CC(C)(C)CC(C)(C)N1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000450879170 513381172 /nfs/dbraw/zinc/38/11/72/513381172.db2.gz NCZVDIMUIZIORX-UHFFFAOYSA-N 0 3 360.462 2.974 20 5 FFBDHN C[C@@H]1CCCN(c2ccc(C(=O)N3CCN[C@@H](C)[C@@H]3C)cc2[N+](=O)[O-])C1 ZINC000434715298 513406279 /nfs/dbraw/zinc/40/62/79/513406279.db2.gz XNNKBBVUBUFETK-ILXRZTDVSA-N 0 3 360.458 2.654 20 5 FFBDHN CN(Cc1ccccc1)C(=O)CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447538536 513501810 /nfs/dbraw/zinc/50/18/10/513501810.db2.gz BVYDGJFACLXCLS-DLBZAZTESA-N 0 3 371.441 2.523 20 5 FFBDHN O=C(NCCN1CCC2(CCCCC2)CC1)Nc1ccncc1[N+](=O)[O-] ZINC000441779903 513621871 /nfs/dbraw/zinc/62/18/71/513621871.db2.gz WPFAAWVRNMSWQH-UHFFFAOYSA-N 0 3 361.446 2.580 20 5 FFBDHN CN1C[C@@H]2CCCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)[C@@H]2C1 ZINC000425631743 513670924 /nfs/dbraw/zinc/67/09/24/513670924.db2.gz BYSHJHRWMXAXOP-GXFFZTMASA-N 0 3 370.356 2.754 20 5 FFBDHN NC(=O)C1CCN(Cc2ccc(CNc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000413585680 513725491 /nfs/dbraw/zinc/72/54/91/513725491.db2.gz SBEPUNDTUKDHHR-UHFFFAOYSA-N 0 3 368.437 2.904 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H](Oc3ccccc3)C2)c1 ZINC000419311418 513772001 /nfs/dbraw/zinc/77/20/01/513772001.db2.gz CWQQAUXEAIFCSC-FXAWDEMLSA-N 0 3 372.421 2.878 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCSC[C@H]1C1CCC1 ZINC000419375387 513791340 /nfs/dbraw/zinc/79/13/40/513791340.db2.gz QLKWRPRVJPFHIR-HOCLYGCPSA-N 0 3 352.456 2.552 20 5 FFBDHN C[C@@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000448703566 513854345 /nfs/dbraw/zinc/85/43/45/513854345.db2.gz BYEXIWITJSVDGP-CABCVRRESA-N 0 3 361.442 2.794 20 5 FFBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CCC[C@H](C)C1 ZINC000448706583 513857044 /nfs/dbraw/zinc/85/70/44/513857044.db2.gz ZIGMNKISNLXKOM-GJZGRUSLSA-N 0 3 371.441 2.631 20 5 FFBDHN CC(C)[C@@H](CO)[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000451599244 513858906 /nfs/dbraw/zinc/85/89/06/513858906.db2.gz PVDHJPVVKQGUAG-XKQJLSEDSA-N 0 3 351.447 2.801 20 5 FFBDHN CC(C)[C@@H](CO)[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C ZINC000451604333 513860942 /nfs/dbraw/zinc/86/09/42/513860942.db2.gz YKIJCUALSYEWFN-XKQJLSEDSA-N 0 3 351.447 2.801 20 5 FFBDHN C[C@@H]1CCN(C)CCN1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426269210 513891231 /nfs/dbraw/zinc/89/12/31/513891231.db2.gz FLHCNXDTAFIRQD-LLVKDONJSA-N 0 3 374.363 2.849 20 5 FFBDHN O=C(CCC(=O)N1CCC[C@@H](N2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000448931260 513977636 /nfs/dbraw/zinc/97/76/36/513977636.db2.gz BJLCKHSYJZJXRB-QGZVFWFLSA-N 0 3 359.426 2.645 20 5 FFBDHN COC(=O)[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1c1ccccc1 ZINC000452007829 514130423 /nfs/dbraw/zinc/13/04/23/514130423.db2.gz RMIQNYZRBPAJDX-DLBZAZTESA-N 0 3 370.405 2.992 20 5 FFBDHN COC(=O)[C@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1c1ccccc1 ZINC000452007834 514131353 /nfs/dbraw/zinc/13/13/53/514131353.db2.gz RMIQNYZRBPAJDX-IRXDYDNUSA-N 0 3 370.405 2.992 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCNC[C@@H]1c1ccccc1 ZINC000420412572 514139098 /nfs/dbraw/zinc/13/90/98/514139098.db2.gz SHULKTHUMFXWQE-LJQANCHMSA-N 0 3 368.437 2.878 20 5 FFBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]1NCCc2ccccc21 ZINC000423431318 514140762 /nfs/dbraw/zinc/14/07/62/514140762.db2.gz QJRMJGWVOOYDCS-LIRRHRJNSA-N 0 3 368.437 2.789 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000427357025 514192931 /nfs/dbraw/zinc/19/29/31/514192931.db2.gz KQKUPZXHXIIODL-KRWDZBQOSA-N 0 3 369.421 2.950 20 5 FFBDHN COC(=O)COc1ccc(CN2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000449452307 514215855 /nfs/dbraw/zinc/21/58/55/514215855.db2.gz UHIKSMVXWOIAMV-ASKKUZCQSA-N 0 3 372.421 2.791 20 5 FFBDHN O=[N+]([O-])c1cc(CN2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c2c(c1)COCO2 ZINC000449455049 514215993 /nfs/dbraw/zinc/21/59/93/514215993.db2.gz QEBYSMRJMBFYSK-KSZLIROESA-N 0 3 362.426 2.977 20 5 FFBDHN COc1cc(CN[C@H](C(C)C)[C@H](CO)C(C)C)c([N+](=O)[O-])cc1OC ZINC000449515518 514235703 /nfs/dbraw/zinc/23/57/03/514235703.db2.gz ZVFRAPRTQRMDEH-RDTXWAMCSA-N 0 3 354.447 2.991 20 5 FFBDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000452342957 514293770 /nfs/dbraw/zinc/29/37/70/514293770.db2.gz JUULWZQTEIADGQ-ZDUSSCGKSA-N 0 3 351.451 2.682 20 5 FFBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](N)c1ccccc1CC ZINC000423937185 514297177 /nfs/dbraw/zinc/29/71/77/514297177.db2.gz GAKUNNOMKJZXTJ-HNNXBMFYSA-N 0 3 357.410 2.986 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H]1CCCCS1(=O)=O)CCCC2 ZINC000417343124 514304089 /nfs/dbraw/zinc/30/40/89/514304089.db2.gz NXLPUVRKWWLWJK-RDJZCZTQSA-N 0 3 352.456 2.919 20 5 FFBDHN NC[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CCCC1 ZINC000423950518 514304166 /nfs/dbraw/zinc/30/41/66/514304166.db2.gz YNDYWBOUCUYDPN-GOSISDBHSA-N 0 3 363.461 2.788 20 5 FFBDHN N[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1F ZINC000424038064 514353036 /nfs/dbraw/zinc/35/30/36/514353036.db2.gz LELSQOFKEMBECW-FUHWJXTLSA-N 0 3 357.385 2.620 20 5 FFBDHN CC(C)[C@@H](C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)N1CCCCC1 ZINC000427964562 514359811 /nfs/dbraw/zinc/35/98/11/514359811.db2.gz NIFNXEZOGCOFST-SFHVURJKSA-N 0 3 361.442 2.826 20 5 FFBDHN COc1ccc(OCCN(C)C[C@H](O)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000433073328 514372006 /nfs/dbraw/zinc/37/20/06/514372006.db2.gz FPXFFHUFYWYMKA-MRXNPFEDSA-N 0 3 360.410 2.518 20 5 FFBDHN COc1ccccc1[C@@H](CNc1ncc([N+](=O)[O-])c(C)n1)N1CCCC1 ZINC000450212711 514544817 /nfs/dbraw/zinc/54/48/17/514544817.db2.gz FHEVFLVGCQZJOC-MRXNPFEDSA-N 0 3 357.414 2.951 20 5 FFBDHN C[C@@H](NCCn1cc(Br)ccc1=O)c1cccc([N+](=O)[O-])c1 ZINC000453257128 514581267 /nfs/dbraw/zinc/58/12/67/514581267.db2.gz UUTHXZHEUBNDJN-LLVKDONJSA-N 0 3 366.215 2.870 20 5 FFBDHN Cn1c(C(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000461434745 514617130 /nfs/dbraw/zinc/61/71/30/514617130.db2.gz ZCIHLPUNTABPJA-SJORKVTESA-N 0 3 368.437 2.527 20 5 FFBDHN COc1cc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000475322092 514618161 /nfs/dbraw/zinc/61/81/61/514618161.db2.gz ZLPGCZZRRRIZPX-QGZVFWFLSA-N 0 3 369.421 2.950 20 5 FFBDHN CN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475319787 514618638 /nfs/dbraw/zinc/61/86/38/514618638.db2.gz UVXUCPRDAAVANC-GOSISDBHSA-N 0 3 369.421 2.707 20 5 FFBDHN COc1c(C(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000488912052 514631004 /nfs/dbraw/zinc/63/10/04/514631004.db2.gz NEHOGCUODMRQAK-HNNXBMFYSA-N 0 3 361.373 2.775 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCCC[C@H]1OC(F)F ZINC000502566621 514698334 /nfs/dbraw/zinc/69/83/34/514698334.db2.gz ROFQQWHIXXROFU-ZIAGYGMSSA-N 0 3 357.357 2.982 20 5 FFBDHN COc1cc(CN2CCC(CCN3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000489228688 514761232 /nfs/dbraw/zinc/76/12/32/514761232.db2.gz WDAYJQIRNHPITF-UHFFFAOYSA-N 0 3 363.458 2.538 20 5 FFBDHN Cc1cc(N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000461971016 514812150 /nfs/dbraw/zinc/81/21/50/514812150.db2.gz GUGMQRFOGUIXBA-HOCLYGCPSA-N 0 3 350.438 2.505 20 5 FFBDHN CCn1nc(C)c([N+](=O)[O-])c1N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000480174385 514863837 /nfs/dbraw/zinc/86/38/37/514863837.db2.gz YLYVJQSGZAHXRG-RDJZCZTQSA-N 0 3 358.446 2.644 20 5 FFBDHN C[C@@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)C1=CCN(C)CC1 ZINC000467218879 514944825 /nfs/dbraw/zinc/94/48/25/514944825.db2.gz RFUHTSLNJAMYJP-LLVKDONJSA-N 0 3 352.822 2.698 20 5 FFBDHN CCO[C@H]1C[C@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCCCC2 ZINC000503425869 515029317 /nfs/dbraw/zinc/02/93/17/515029317.db2.gz MNTUBUUNJGXYCT-IRXDYDNUSA-N 0 3 361.442 2.911 20 5 FFBDHN CC[C@@H]1CN(CC)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000456342149 515110192 /nfs/dbraw/zinc/11/01/92/515110192.db2.gz FPFCTTZAPVJYDX-CQSZACIVSA-N 0 3 357.414 2.541 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000467810751 515130457 /nfs/dbraw/zinc/13/04/57/515130457.db2.gz GPHAXUGSZKJVRF-SMDDNHRTSA-N 0 3 367.833 2.616 20 5 FFBDHN Cc1ccc(C)c(S(=O)(=O)NC[C@@H](C)CN2CCCCC2)c1[N+](=O)[O-] ZINC000481050963 515188860 /nfs/dbraw/zinc/18/88/60/515188860.db2.gz BIKZGVKNFRALDR-CYBMUJFWSA-N 0 3 369.487 2.612 20 5 FFBDHN C[C@H]1C[C@@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC(C)(C)C1 ZINC000462747207 515221817 /nfs/dbraw/zinc/22/18/17/515221817.db2.gz WAYUDUDCSKJKJI-UONOGXRCSA-N 0 3 369.487 2.678 20 5 FFBDHN COc1cc(CNCC[C@@H](OC)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000468610725 515435127 /nfs/dbraw/zinc/43/51/27/515435127.db2.gz ZTLGJYHBECJORL-CYBMUJFWSA-N 0 3 352.309 2.669 20 5 FFBDHN Cc1c(Br)cc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000510443603 515543537 /nfs/dbraw/zinc/54/35/37/515543537.db2.gz OQVWYEKAOYPNME-BXKDBHETSA-N 0 3 370.247 2.878 20 5 FFBDHN COc1cccc([C@@H]2[C@H](NC(=O)c3ccc([N+](=O)[O-])[n-]3)CC[N@@H+]2C2CC2)c1 ZINC000482047136 515557679 /nfs/dbraw/zinc/55/76/79/515557679.db2.gz WAZRZHZECOTURE-CRAIPNDOSA-N 0 3 370.409 2.639 20 5 FFBDHN COc1cccc([C@@H]2[C@H](NC(=O)c3ccc([N+](=O)[O-])[n-]3)CC[N@H+]2C2CC2)c1 ZINC000482047136 515557687 /nfs/dbraw/zinc/55/76/87/515557687.db2.gz WAZRZHZECOTURE-CRAIPNDOSA-N 0 3 370.409 2.639 20 5 FFBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000510541902 515576932 /nfs/dbraw/zinc/57/69/32/515576932.db2.gz VOLBAZBSTUYZLL-AUUYWEPGSA-N 0 3 373.457 2.606 20 5 FFBDHN CC(C)N1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000457085474 515637807 /nfs/dbraw/zinc/63/78/07/515637807.db2.gz HMTLROHPKWJDDX-LBPRGKRZSA-N 0 3 357.357 2.751 20 5 FFBDHN C[C@@H]1[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000494040589 515718839 /nfs/dbraw/zinc/71/88/39/515718839.db2.gz YDJCFHMSDKABAH-DNVCBOLYSA-N 0 3 369.421 2.753 20 5 FFBDHN C[C@H]1[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000494040590 515719142 /nfs/dbraw/zinc/71/91/42/515719142.db2.gz YDJCFHMSDKABAH-HNAYVOBHSA-N 0 3 369.421 2.753 20 5 FFBDHN O=[N+]([O-])c1ccc(C(F)(F)F)c(CNC2(CO)CCSCC2)c1 ZINC000459696492 515751010 /nfs/dbraw/zinc/75/10/10/515751010.db2.gz LJKKWWNNZQNUMI-UHFFFAOYSA-N 0 3 350.362 2.961 20 5 FFBDHN CC[C@@H](NCCc1nnnn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000511035409 515753221 /nfs/dbraw/zinc/75/32/21/515753221.db2.gz DKHIJMCXLDJNHT-QGZVFWFLSA-N 0 3 352.398 2.854 20 5 FFBDHN CO[C@H]1C[C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000459740688 515780618 /nfs/dbraw/zinc/78/06/18/515780618.db2.gz BNRAASGHTFALPQ-KGLIPLIRSA-N 0 3 353.806 2.734 20 5 FFBDHN CN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000474217731 515939520 /nfs/dbraw/zinc/93/95/20/515939520.db2.gz YJPJYIPUBBDESF-KRWDZBQOSA-N 0 3 368.437 2.740 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000487838944 516000532 /nfs/dbraw/zinc/00/05/32/516000532.db2.gz OGNRVOFGNIAEHK-BXUZGUMPSA-N 0 3 354.838 2.573 20 5 FFBDHN CN(C)C[C@@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000464933245 516019308 /nfs/dbraw/zinc/01/93/08/516019308.db2.gz GHLLIRSFOVZOCP-AWEZNQCLSA-N 0 3 360.439 2.885 20 5 FFBDHN CCN1CC[C@@H](N(C)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[C@@H]1C ZINC000495473974 516175467 /nfs/dbraw/zinc/17/54/67/516175467.db2.gz KSTISRNWMBNZTH-LSDHHAIUSA-N 0 3 371.441 2.725 20 5 FFBDHN CCN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000507470138 516219197 /nfs/dbraw/zinc/21/91/97/516219197.db2.gz TXTKTYVFQAQGLF-UKRRQHHQSA-N 0 3 357.414 2.616 20 5 FFBDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000507688767 516283641 /nfs/dbraw/zinc/28/36/41/516283641.db2.gz OVKLOUQDGKSZKT-INIZCTEOSA-N 0 3 371.441 2.521 20 5 FFBDHN COC(=O)[C@@H]1CCCC[C@]1(C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000535466821 516366967 /nfs/dbraw/zinc/36/69/67/516366967.db2.gz ZZAZLGVHMLWNOO-KSSFIOAISA-N 0 3 363.414 2.553 20 5 FFBDHN CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NCc2ccccc2[N+](=O)[O-])s1 ZINC000513087460 516467936 /nfs/dbraw/zinc/46/79/36/516467936.db2.gz AIROSEHPAWLNRV-WDEREUQCSA-N 0 3 363.443 2.762 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCCCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000543903473 516490196 /nfs/dbraw/zinc/49/01/96/516490196.db2.gz ICUXCKCXMLMMFN-KBPBESRZSA-N 0 3 365.430 2.683 20 5 FFBDHN C[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000513211580 516524482 /nfs/dbraw/zinc/52/44/82/516524482.db2.gz YEEPHBYMKCZABA-SWLSCSKDSA-N 0 3 356.382 2.562 20 5 FFBDHN C[C@H]1C[C@H]1N1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@@H](C)C1 ZINC000558022816 516555268 /nfs/dbraw/zinc/55/52/68/516555268.db2.gz JOASVHSDNGZAEJ-ZJNRKIDTSA-N 0 3 356.426 2.878 20 5 FFBDHN CN1CCN(CCOc2ccccc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000551402253 516693184 /nfs/dbraw/zinc/69/31/84/516693184.db2.gz ZZGNKEGQHUJOKN-SFHVURJKSA-N 0 3 355.438 2.832 20 5 FFBDHN Cc1ccc([C@H](C)N[C@@H](CC(C)C)C(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000540744599 516693598 /nfs/dbraw/zinc/69/35/98/516693598.db2.gz NQELAKKGDWDMDV-RDJZCZTQSA-N 0 3 364.490 2.646 20 5 FFBDHN O=C(NCc1ccccc1CN1CCCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000532143136 516822580 /nfs/dbraw/zinc/82/25/80/516822580.db2.gz GLOQXKKCLCCNSF-UHFFFAOYSA-N 0 3 354.410 2.906 20 5 FFBDHN CN(C)C[C@@H]1CCCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541029669 516838786 /nfs/dbraw/zinc/83/87/86/516838786.db2.gz KMQUWRKAHPPDDA-LBPRGKRZSA-N 0 3 357.357 2.753 20 5 FFBDHN CCN1CC[C@H](N(C)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C ZINC000524881123 516859601 /nfs/dbraw/zinc/85/96/01/516859601.db2.gz UTVCOVPJZIOBRY-YOEHRIQHSA-N 0 3 371.441 2.725 20 5 FFBDHN Cn1c(C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000525040928 516901273 /nfs/dbraw/zinc/90/12/73/516901273.db2.gz VIQGSLLLMHTHOU-LRDDRELGSA-N 0 3 362.455 2.808 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)CCCN(C)Cc1ccco1 ZINC000552058584 517054793 /nfs/dbraw/zinc/05/47/93/517054793.db2.gz PZMKCEQLHWALFR-UHFFFAOYSA-N 0 3 374.441 2.889 20 5 FFBDHN O=C(CC(F)(F)F)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000537303427 517134983 /nfs/dbraw/zinc/13/49/83/517134983.db2.gz OMICPGISPGHJQB-UHFFFAOYSA-N 0 3 351.350 2.689 20 5 FFBDHN CC[C@@H](NCc1cccc(OCC(=O)NC)c1)c1cccc([N+](=O)[O-])c1 ZINC000552325309 517198682 /nfs/dbraw/zinc/19/86/82/517198682.db2.gz RTKQPVRXTVFNAS-GOSISDBHSA-N 0 3 357.410 2.961 20 5 FFBDHN CCc1ccc([C@H](CNC(=O)c2c([N+](=O)[O-])cnn2C)N(CC)CC)cc1 ZINC000515170859 517238386 /nfs/dbraw/zinc/23/83/86/517238386.db2.gz MLNMIERKHHTOAR-INIZCTEOSA-N 0 3 373.457 2.704 20 5 FFBDHN CC(C)Oc1ccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000515326581 517298171 /nfs/dbraw/zinc/29/81/71/517298171.db2.gz HRSQAEOSFBUOEM-INIZCTEOSA-N 0 3 360.410 2.912 20 5 FFBDHN Cc1ccccc1[C@H](CO)NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000541984836 517322595 /nfs/dbraw/zinc/32/25/95/517322595.db2.gz ZMJNIUIFXCFHCE-INIZCTEOSA-N 0 3 371.393 2.524 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1Nc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000520441904 517394738 /nfs/dbraw/zinc/39/47/38/517394738.db2.gz BYUVFUPLCGZVRE-CXAGYDPISA-N 0 3 354.410 2.626 20 5 FFBDHN CN(C)C[C@@H]1CCCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000520497916 517412386 /nfs/dbraw/zinc/41/23/86/517412386.db2.gz KXJMKDHVIURKJJ-INIZCTEOSA-N 0 3 360.458 2.751 20 5 FFBDHN Cc1ccc(NCCCN[C@H](Cc2ccc(F)cc2)C(N)=O)c([N+](=O)[O-])c1 ZINC000542236266 517453859 /nfs/dbraw/zinc/45/38/59/517453859.db2.gz VDBUBNQHFUGVBZ-QGZVFWFLSA-N 0 3 374.416 2.531 20 5 FFBDHN COc1cc(N2CC[C@@H](OCCN3CCCCC3)C2)c([N+](=O)[O-])cc1F ZINC000533638107 517555232 /nfs/dbraw/zinc/55/52/32/517555232.db2.gz NALPYDFXVDCVQN-CQSZACIVSA-N 0 3 367.421 2.824 20 5 FFBDHN CN(c1ccccc1)c1ccc(CNC[C@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000533637689 517556749 /nfs/dbraw/zinc/55/67/49/517556749.db2.gz LUHSVQVFYFGWRX-LJQANCHMSA-N 0 3 357.410 2.604 20 5 FFBDHN CC(C)CN1CCCC[C@@H]1CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000553170901 517557021 /nfs/dbraw/zinc/55/70/21/517557021.db2.gz FNIZTSWMQUHKQK-CQSZACIVSA-N 0 3 359.430 2.588 20 5 FFBDHN CN(C)CCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000521056576 517596714 /nfs/dbraw/zinc/59/67/14/517596714.db2.gz SCRIURRJXHYTIM-UHFFFAOYSA-N 0 3 359.430 2.808 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCCC[NH+]2CCCC2)cc1C ZINC000549520568 517599062 /nfs/dbraw/zinc/59/90/62/517599062.db2.gz SUFLRNJPJLLHHC-UHFFFAOYSA-N 0 3 369.487 2.756 20 5 FFBDHN C[C@H]1C[C@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000553446421 517718911 /nfs/dbraw/zinc/71/89/11/517718911.db2.gz FQIIDKXWSVQGCJ-ZFWWWQNUSA-N 0 3 354.410 2.769 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC2CCN(C(C)(C)C)CC2)c1 ZINC000542755718 517720221 /nfs/dbraw/zinc/72/02/21/517720221.db2.gz GTVMDRGCMOQHGM-UHFFFAOYSA-N 0 3 369.487 2.753 20 5 FFBDHN CC[C@@H](N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000556899260 517734683 /nfs/dbraw/zinc/73/46/83/517734683.db2.gz XWIYWQGWTRPHRS-RHSMWYFYSA-N 0 3 367.471 2.592 20 5 FFBDHN C[C@H](CN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)CN1CCN(C)CC1 ZINC000516871616 517885011 /nfs/dbraw/zinc/88/50/11/517885011.db2.gz CUACZVABVNMZMT-CZUORRHYSA-N 0 3 374.407 2.671 20 5 FFBDHN O=C(NC[C@H]1NCCc2ccccc21)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000563601355 518014750 /nfs/dbraw/zinc/01/47/50/518014750.db2.gz ZFAZNHINHLLMEA-GOSISDBHSA-N 0 3 366.421 2.550 20 5 FFBDHN Cn1cc(CNCCNc2ccccn2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000539709857 518146183 /nfs/dbraw/zinc/14/61/83/518146183.db2.gz ZPWOWRFSUDCHSM-UHFFFAOYSA-N 0 3 352.398 2.592 20 5 FFBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000522828818 518167505 /nfs/dbraw/zinc/16/75/05/518167505.db2.gz MMLNNUNWKKXVOG-QGZVFWFLSA-N 0 3 354.410 2.518 20 5 FFBDHN COc1ccc(C(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000569613127 518207090 /nfs/dbraw/zinc/20/70/90/518207090.db2.gz CLOMIUKSSXGAMO-HNNXBMFYSA-N 0 3 361.373 2.775 20 5 FFBDHN C[C@@H]1[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000564003678 518265518 /nfs/dbraw/zinc/26/55/18/518265518.db2.gz UFEAVOLNFZVPMV-WBVHZDCISA-N 0 3 369.421 2.753 20 5 FFBDHN C[C@@H]1[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000564003673 518266174 /nfs/dbraw/zinc/26/61/74/518266174.db2.gz UFEAVOLNFZVPMV-NVXWUHKLSA-N 0 3 369.421 2.753 20 5 FFBDHN CN(C)C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccc(Cl)cc1 ZINC000569845373 518321905 /nfs/dbraw/zinc/32/19/05/518321905.db2.gz MHMHQWCCQORXRH-LBPRGKRZSA-N 0 3 350.806 2.652 20 5 FFBDHN Cc1ccc(C[C@@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000576030007 518395314 /nfs/dbraw/zinc/39/53/14/518395314.db2.gz JRPFRPNXRWQYRT-GFCCVEGCSA-N 0 3 368.480 2.959 20 5 FFBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NCc1cc(=O)n2ccccc2n1 ZINC000578875309 518416047 /nfs/dbraw/zinc/41/60/47/518416047.db2.gz OJXHBECUTCKCDO-AWEZNQCLSA-N 0 3 352.394 2.714 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCc2ccccc2Cl)cc1 ZINC000570154456 518466686 /nfs/dbraw/zinc/46/66/86/518466686.db2.gz CAIMYLNRBYRIQB-UHFFFAOYSA-N 0 3 368.842 2.854 20 5 FFBDHN C[C@H](CNC[C@H](O)COc1ccccc1[N+](=O)[O-])Oc1ccccc1F ZINC000579103340 518522209 /nfs/dbraw/zinc/52/22/09/518522209.db2.gz JBIKHJPELRSFRY-KGLIPLIRSA-N 0 3 364.373 2.531 20 5 FFBDHN C[C@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCC1(F)F ZINC000582329516 518698677 /nfs/dbraw/zinc/69/86/77/518698677.db2.gz VIVALWDXEGVTEJ-NSHDSACASA-N 0 3 355.341 2.870 20 5 FFBDHN C[C@@H](NC(=O)N1CCc2ccccc2[C@H]1CN)c1cccc([N+](=O)[O-])c1 ZINC000564935547 518703635 /nfs/dbraw/zinc/70/36/35/518703635.db2.gz DMYGHDLRQQHIQZ-FZKQIMNGSA-N 0 3 354.410 2.924 20 5 FFBDHN C[C@@]1(NC(=O)Cc2ccccc2[N+](=O)[O-])CCN(Cc2ccccc2)C1 ZINC000565063702 518770053 /nfs/dbraw/zinc/77/00/53/518770053.db2.gz DXECCKJDSVIROV-HXUWFJFHSA-N 0 3 353.422 2.918 20 5 FFBDHN CSc1ccc(F)cc1CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000573954124 518916726 /nfs/dbraw/zinc/91/67/26/518916726.db2.gz MFHKTPBAACOTBW-OAHLLOKOSA-N 0 3 366.414 2.985 20 5 FFBDHN COc1ccc(-c2ccc(CN3CC[C@@H](CC(N)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000589209245 518950597 /nfs/dbraw/zinc/95/05/97/518950597.db2.gz BARCJYZNZNUGRR-LBPRGKRZSA-N 0 3 359.382 2.561 20 5 FFBDHN CC1CCN(c2ccc(C(=O)N3C[C@@H]4CCN(C)[C@@H]4C3)cc2[N+](=O)[O-])CC1 ZINC000574372954 519120688 /nfs/dbraw/zinc/12/06/88/519120688.db2.gz VULFUYPQDLPDSL-QFBILLFUSA-N 0 3 372.469 2.607 20 5 FFBDHN CC(C)N1CC[C@@H](N(C)C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000565995814 519236923 /nfs/dbraw/zinc/23/69/23/519236923.db2.gz UNEHZQSEJXFOTD-MRXNPFEDSA-N 0 3 373.457 2.743 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CCCN(C)Cc1ccco1 ZINC000566025395 519253254 /nfs/dbraw/zinc/25/32/54/519253254.db2.gz NVDYJVBCICEHKT-UHFFFAOYSA-N 0 3 374.441 2.889 20 5 FFBDHN CC[C@H](C)N[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000580793376 519361350 /nfs/dbraw/zinc/36/13/50/519361350.db2.gz DXCGASLDEZDDQD-NHYWBVRUSA-N 0 3 371.397 2.923 20 5 FFBDHN O=[N+]([O-])c1cc2c(ncnc2N2CCN(CCc3ccccc3)CC2)s1 ZINC000583699410 519388221 /nfs/dbraw/zinc/38/82/21/519388221.db2.gz RZZBEMYRMXBTRW-UHFFFAOYSA-N 0 3 369.450 2.964 20 5 FFBDHN C[C@H]1CN(CCC2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)C[C@H](C)O1 ZINC000591149372 519529542 /nfs/dbraw/zinc/52/95/42/519529542.db2.gz UWMFMMRCFVBGTJ-KBPBESRZSA-N 0 3 366.437 2.845 20 5 FFBDHN Cc1cc(C)cc(OCCNC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000591729285 520014960 /nfs/dbraw/zinc/01/49/60/520014960.db2.gz XMXWVKQWOZUJOT-INIZCTEOSA-N 0 3 360.410 2.620 20 5 FFBDHN O=[N+]([O-])c1ccc(CN2CCC[C@@H](N3CCOCC3)CC2)c(Cl)c1 ZINC000594616489 520057622 /nfs/dbraw/zinc/05/76/22/520057622.db2.gz DBKDRRJGSXOLAM-OAHLLOKOSA-N 0 3 353.850 2.935 20 5 FFBDHN CC[C@H]1CN(C)CCCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000597605159 520132799 /nfs/dbraw/zinc/13/27/99/520132799.db2.gz NJKWFHVXFNWQBD-AWEZNQCLSA-N 0 3 369.849 2.960 20 5 FFBDHN CN1CCN(CCCCNc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000608855926 520146246 /nfs/dbraw/zinc/14/62/46/520146246.db2.gz BZIKZVRQOXIALP-UHFFFAOYSA-N 0 3 371.279 2.797 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCN(C(C)(C)C)C1 ZINC000594790573 520158029 /nfs/dbraw/zinc/15/80/29/520158029.db2.gz NHBWGDCKLUZWNV-ZDUSSCGKSA-N 0 3 369.487 2.556 20 5 FFBDHN CN1CC[C@]2(C1)CCCN(C(=O)c1ccc(N3CCCC3)c([N+](=O)[O-])c1)C2 ZINC000597715602 520192953 /nfs/dbraw/zinc/19/29/53/520192953.db2.gz NMWXEUPJBSFSAS-FQEVSTJZSA-N 0 3 372.469 2.753 20 5 FFBDHN Cc1nccn1CCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132911 520207004 /nfs/dbraw/zinc/20/70/04/520207004.db2.gz PKRNTMOHDVIYGM-IYARVYRRSA-N 0 3 358.442 2.905 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCNCc2ccc(O[C@@H]3CCOC3)cc2)cc1 ZINC000594928518 520220370 /nfs/dbraw/zinc/22/03/70/520220370.db2.gz ZTMIZFGJQYIODY-LJQANCHMSA-N 0 3 358.394 2.931 20 5 FFBDHN Cc1cc(C(=O)NCCc2ccc(OCCN(C)C)cc2)ccc1[N+](=O)[O-] ZINC000609182406 520222789 /nfs/dbraw/zinc/22/27/89/520222789.db2.gz WEFVBAQWSFZQEK-UHFFFAOYSA-N 0 3 371.437 2.816 20 5 FFBDHN Cn1cc(C[C@@H]2CCC[C@H]2NCc2cc([N+](=O)[O-])cc3c2OCOC3)cn1 ZINC000594980575 520241735 /nfs/dbraw/zinc/24/17/35/520241735.db2.gz SPMHYOQFFDBBOR-KBXCAEBGSA-N 0 3 372.425 2.696 20 5 FFBDHN CN(CCCN(C)c1ncnc2sc([N+](=O)[O-])cc21)Cc1ccncc1 ZINC000603403081 520250318 /nfs/dbraw/zinc/25/03/18/520250318.db2.gz UNYIJXPVYYQFPB-UHFFFAOYSA-N 0 3 372.454 2.953 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000595027227 520262142 /nfs/dbraw/zinc/26/21/42/520262142.db2.gz QSXAAFLVZDSKLK-KBPBESRZSA-N 0 3 359.430 2.657 20 5 FFBDHN CN1CCC2(CC1)CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CCO2 ZINC000592213185 520263549 /nfs/dbraw/zinc/26/35/49/520263549.db2.gz SFJUSNVTEFYMIX-UHFFFAOYSA-N 0 3 368.821 2.577 20 5 FFBDHN Cn1ccnc1[C@H](N[C@H]1CCN(C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595056350 520272672 /nfs/dbraw/zinc/27/26/72/520272672.db2.gz FOPMTLYOKMYXIM-DOTOQJQBSA-N 0 3 357.458 2.880 20 5 FFBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000609346757 520290207 /nfs/dbraw/zinc/29/02/07/520290207.db2.gz OROBMDCDUSDMPP-GJZGRUSLSA-N 0 3 358.442 2.929 20 5 FFBDHN O=C(NCCCN1CCc2ccccc2C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609441058 520311394 /nfs/dbraw/zinc/31/13/94/520311394.db2.gz AOPMLTVOUJBVIB-UHFFFAOYSA-N 0 3 357.385 2.912 20 5 FFBDHN CC(C)(C)N1CC[C@H](NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000597924396 520326241 /nfs/dbraw/zinc/32/62/41/520326241.db2.gz QSIGJBBKHSKHCK-ZDUSSCGKSA-N 0 3 372.425 2.511 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000595256094 520374663 /nfs/dbraw/zinc/37/46/63/520374663.db2.gz AVKZVFTWQGSNGB-KRWDZBQOSA-N 0 3 357.366 2.517 20 5 FFBDHN COc1cc(CNc2ccc3c(c2)OCCNC3)c([N+](=O)[O-])cc1OC ZINC000600679231 520393415 /nfs/dbraw/zinc/39/34/15/520393415.db2.gz GMSHTVLZHXRIKE-UHFFFAOYSA-N 0 3 359.382 2.706 20 5 FFBDHN Cc1cc(S(=O)(=O)NCCCN2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000609673407 520402855 /nfs/dbraw/zinc/40/28/55/520402855.db2.gz GVPOVVXVGKLYMF-OKILXGFUSA-N 0 3 369.487 2.550 20 5 FFBDHN O=C(CCNC[C@H](n1cccn1)C(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000600749294 520446230 /nfs/dbraw/zinc/44/62/30/520446230.db2.gz WQGIRURVRGFMFP-ZDUSSCGKSA-N 0 3 371.319 2.513 20 5 FFBDHN CC(C)(CO)[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000595501063 520511698 /nfs/dbraw/zinc/51/16/98/520511698.db2.gz RKVSQBDCUINQLW-SFHVURJKSA-N 0 3 372.425 2.668 20 5 FFBDHN Cc1n[nH]c(C(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000610200267 520576284 /nfs/dbraw/zinc/57/62/84/520576284.db2.gz WOBIBWXIASNXCM-ABAIWWIYSA-N 0 3 363.443 2.501 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@H](C1CC1)C1(CO)CCOCC1 ZINC000595598209 520582768 /nfs/dbraw/zinc/58/27/68/520582768.db2.gz ZCHPCIILHHBNTK-MRXNPFEDSA-N 0 3 354.834 2.906 20 5 FFBDHN CCOc1cc(CN[C@H](CO)[C@H]2CCC[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000595632363 520608948 /nfs/dbraw/zinc/60/89/48/520608948.db2.gz NUWGGBXVVOFLIK-ARFHVFGLSA-N 0 3 352.431 2.649 20 5 FFBDHN CCOc1cc(CN[C@H](CO)[C@H]2CCC[C@H](OC)C2)ccc1[N+](=O)[O-] ZINC000595632366 520609703 /nfs/dbraw/zinc/60/97/03/520609703.db2.gz NUWGGBXVVOFLIK-HRCADAONSA-N 0 3 352.431 2.649 20 5 FFBDHN C[C@H]1Cc2ccccc2N1C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000610485003 520710606 /nfs/dbraw/zinc/71/06/06/520710606.db2.gz HOCRKWNGNDOIFX-HNNXBMFYSA-N 0 3 355.442 2.707 20 5 FFBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598616216 520745806 /nfs/dbraw/zinc/74/58/06/520745806.db2.gz NHMJGNOAIVFJGU-UHFFFAOYSA-N 0 3 369.487 2.708 20 5 FFBDHN Cc1cc(NCCCN2CCN(c3ccncc3)CC2)c([N+](=O)[O-])s1 ZINC000596099012 520910445 /nfs/dbraw/zinc/91/04/45/520910445.db2.gz WGYINTBCISWWMD-UHFFFAOYSA-N 0 3 361.471 2.984 20 5 FFBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCN1C1CCCCC1 ZINC000599021173 520986273 /nfs/dbraw/zinc/98/62/73/520986273.db2.gz SEPUVXNDGFCWTD-SFHVURJKSA-N 0 3 360.458 2.844 20 5 FFBDHN C[C@H](NC[C@H]1CN(Cc2ccncc2)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000599086921 521024771 /nfs/dbraw/zinc/02/47/71/521024771.db2.gz BHVQBGCWAGWBFL-KXBFYZLASA-N 0 3 356.426 2.541 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000599089064 521025936 /nfs/dbraw/zinc/02/59/36/521025936.db2.gz WWQQWYJHILNOBC-QFBILLFUSA-N 0 3 370.453 2.850 20 5 FFBDHN Cc1nc(N2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)ccc1[N+](=O)[O-] ZINC000593496580 521032285 /nfs/dbraw/zinc/03/22/85/521032285.db2.gz SNBAZHDMXYKIDF-MOPGFXCFSA-N 0 3 368.437 2.778 20 5 FFBDHN CC(C)(C)Oc1cc(N2CCN([C@H]3CCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000611203184 521034604 /nfs/dbraw/zinc/03/46/04/521034604.db2.gz ORXLOHGVHZEFHW-DOTOQJQBSA-N 0 3 363.458 2.808 20 5 FFBDHN CN(C)Cc1cccc(NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000601936592 521035003 /nfs/dbraw/zinc/03/50/03/521035003.db2.gz VWZXNMDOOKOZLU-UHFFFAOYSA-N 0 3 354.410 2.658 20 5 FFBDHN CN1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)[C@H](Cc2ccccc2)C1 ZINC000593504852 521037070 /nfs/dbraw/zinc/03/70/70/521037070.db2.gz RTIQELCCAYCXJR-QGZVFWFLSA-N 0 3 363.421 2.901 20 5 FFBDHN O=[N+]([O-])c1cnc(NCc2ccc(CN3CC[C@@H](O)C3)cc2)c(Cl)c1 ZINC000596423728 521063461 /nfs/dbraw/zinc/06/34/61/521063461.db2.gz OORYDRCPOFEEFQ-OAHLLOKOSA-N 0 3 362.817 2.822 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)cnc1NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000596424609 521065240 /nfs/dbraw/zinc/06/52/40/521065240.db2.gz UCUZJDHYNCLPOS-OAHLLOKOSA-N 0 3 362.817 2.822 20 5 FFBDHN CCOc1cc(N2CCN(C[C@H](OCC)C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000599390803 521193585 /nfs/dbraw/zinc/19/35/85/521193585.db2.gz QTEVERQHHYAWTI-IBGZPJMESA-N 0 3 363.458 2.931 20 5 FFBDHN C[C@H]1C[C@H](N(C)C(=O)c2c(Br)cccc2[N+](=O)[O-])CCN1C ZINC000599567844 521304056 /nfs/dbraw/zinc/30/40/56/521304056.db2.gz POBTVZMUECJYRO-WDEREUQCSA-N 0 3 370.247 2.912 20 5 FFBDHN CN(C)CCn1cc(NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cn1 ZINC000602535745 521400988 /nfs/dbraw/zinc/40/09/88/521400988.db2.gz RNYMCJVDLYWTTQ-UHFFFAOYSA-N 0 3 357.336 2.984 20 5 FFBDHN O=C1[C@@H](NCCc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccc(F)cc1 ZINC000602632473 521447613 /nfs/dbraw/zinc/44/76/13/521447613.db2.gz ULDQNSKDRHYAAU-SFHVURJKSA-N 0 3 357.385 2.667 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCC(N[C@H](CCO)c3ccccc3F)CC2)cn1 ZINC000602697398 521483336 /nfs/dbraw/zinc/48/33/36/521483336.db2.gz PKZNUYHEHYAJPW-GOSISDBHSA-N 0 3 374.416 2.811 20 5 FFBDHN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CC[C@H](N2CCCC2)C1 ZINC000599829933 521498201 /nfs/dbraw/zinc/49/82/01/521498201.db2.gz NNAWWWYMZZNRQA-ZDUSSCGKSA-N 0 3 355.398 2.845 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@@H](Cn4ccnn4)C3)o2)cc1 ZINC000597172750 521554738 /nfs/dbraw/zinc/55/47/38/521554738.db2.gz BYZWXFHSAPASLB-CQSZACIVSA-N 0 3 353.382 2.968 20 5 FFBDHN Cn1cc(CN2CCC[C@@](O)(C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597203912 521572671 /nfs/dbraw/zinc/57/26/71/521572671.db2.gz ANWGPEJWZWTFEK-IBGZPJMESA-N 0 3 356.426 2.732 20 5 FFBDHN Nc1cc(NC[C@@H](c2cccs2)N2CCCC2)cc(CO)c1[N+](=O)[O-] ZINC000619570087 521772332 /nfs/dbraw/zinc/77/23/32/521772332.db2.gz KENLQFZBRCSCCW-HNNXBMFYSA-N 0 3 362.455 2.980 20 5 FFBDHN COCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000485396634 561318284 /nfs/dbraw/zinc/31/82/84/561318284.db2.gz XOWUVJNAFBNZOZ-OAHLLOKOSA-N 0 3 360.389 2.929 20 5 FFBDHN CCN1CCN(CCNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485408205 561318427 /nfs/dbraw/zinc/31/84/27/561318427.db2.gz PZZVGMXKZSIHHL-UHFFFAOYSA-N 0 3 373.432 2.845 20 5 FFBDHN C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824648955 609314602 /nfs/dbraw/zinc/31/46/02/609314602.db2.gz JZBURIHZBFYHHJ-GXTWGEPZSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000824648955 609314605 /nfs/dbraw/zinc/31/46/05/609314605.db2.gz JZBURIHZBFYHHJ-GXTWGEPZSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824648955 609314606 /nfs/dbraw/zinc/31/46/06/609314606.db2.gz JZBURIHZBFYHHJ-GXTWGEPZSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000824648955 609314608 /nfs/dbraw/zinc/31/46/08/609314608.db2.gz JZBURIHZBFYHHJ-GXTWGEPZSA-N 0 3 371.445 2.840 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826497931 609345968 /nfs/dbraw/zinc/34/59/68/609345968.db2.gz ZHTYLCHKCRQLFE-UHFFFAOYSA-N 0 3 358.789 2.761 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826497931 609345969 /nfs/dbraw/zinc/34/59/69/609345969.db2.gz ZHTYLCHKCRQLFE-UHFFFAOYSA-N 0 3 358.789 2.761 20 5 FFBDHN CCCCN1CCC(NS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)CC1 ZINC000154266155 728800313 /nfs/dbraw/zinc/80/03/13/728800313.db2.gz XOTZSFHIRRMHGG-UHFFFAOYSA-N 0 3 373.450 2.585 20 5 FFBDHN CCC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2COC)CCN1CCOC ZINC000162458199 728945378 /nfs/dbraw/zinc/94/53/78/728945378.db2.gz MOBZJVNHXVWTOD-QGZVFWFLSA-N 0 3 351.447 2.678 20 5 FFBDHN O=[N+]([O-])c1ccc(Br)cc1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000091672677 728460946 /nfs/dbraw/zinc/46/09/46/728460946.db2.gz YTOONPZCDIWBCI-NEPJUHHUSA-N 0 3 356.220 2.632 20 5 FFBDHN Cc1cc(S(=O)(=O)N(C)CC[C@@H]2CCCCN2C)cc([N+](=O)[O-])c1F ZINC000093002858 728473078 /nfs/dbraw/zinc/47/30/78/728473078.db2.gz RATZDHMMJFDJSX-ZDUSSCGKSA-N 0 3 373.450 2.537 20 5 FFBDHN COC(=O)CCN(Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000174440779 729072005 /nfs/dbraw/zinc/07/20/05/729072005.db2.gz JDPSEPJJXGCFPS-UHFFFAOYSA-N 0 3 356.806 2.792 20 5 FFBDHN CCn1nc(C)c([N+](=O)[O-])c1NCC1(N2CCSCC2)CCCC1 ZINC000192494299 729425739 /nfs/dbraw/zinc/42/57/39/729425739.db2.gz PALJAICEAUOCGC-UHFFFAOYSA-N 0 3 353.492 2.893 20 5 FFBDHN COCCN1CCC[C@H]1CNc1cccc(Br)c1[N+](=O)[O-] ZINC000856728637 730350953 /nfs/dbraw/zinc/35/09/53/730350953.db2.gz XCUIOPURIVIRTB-NSHDSACASA-N 0 3 358.236 2.880 20 5 FFBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H]1COC2(CCOCC2)O1 ZINC000872058528 731724843 /nfs/dbraw/zinc/72/48/43/731724843.db2.gz VMKDCBJPEABOPW-TZMCWYRMSA-N 0 3 368.455 2.889 20 5 FFBDHN Cc1c(CNCc2ccc(N(C)S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000873051692 731868355 /nfs/dbraw/zinc/86/83/55/731868355.db2.gz MYSRXAMPEGJQLJ-UHFFFAOYSA-N 0 3 363.439 2.589 20 5 FFBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000874830730 732104758 /nfs/dbraw/zinc/10/47/58/732104758.db2.gz SSOOZDBWODIGQO-KBPBESRZSA-N 0 3 355.797 2.625 20 5 FFBDHN CN(CCN1CC2(C1)CCOCC2)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000877765749 732425713 /nfs/dbraw/zinc/42/57/13/732425713.db2.gz HOJPCNBJODOSMB-UHFFFAOYSA-N 0 3 353.850 2.792 20 5 FFBDHN CC(C)(CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)CS(C)(=O)=O ZINC000926956840 738673866 /nfs/dbraw/zinc/67/38/66/738673866.db2.gz ZZYQUHSHHPIVOW-OAHLLOKOSA-N 0 3 354.472 2.978 20 5 FFBDHN COc1c([O-])ccc(C[NH2+]CC[C@H]2CC[C@@H](C(F)(F)F)O2)c1[N+](=O)[O-] ZINC000896810518 735184420 /nfs/dbraw/zinc/18/44/20/735184420.db2.gz VWBPGUSJUGRXDG-PWSUYJOCSA-N 0 3 364.320 2.899 20 5 FFBDHN O=C(OCc1ccc([N+](=O)[O-])cc1Cl)C1CCCN(C2CC2)C1=O ZINC000924057817 738365415 /nfs/dbraw/zinc/36/54/15/738365415.db2.gz BKDHYYXLMWLOOK-CYBMUJFWSA-N 0 3 352.774 2.692 20 5 FFBDHN O=C(OCc1cc([N+](=O)[O-])ccc1Cl)C1CCCN(C2CC2)C1=O ZINC000924059262 738365500 /nfs/dbraw/zinc/36/55/00/738365500.db2.gz WKDWKAHOHOIYCS-CYBMUJFWSA-N 0 3 352.774 2.692 20 5 FFBDHN CC1CCN(CCNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000790541357 739467916 /nfs/dbraw/zinc/46/79/16/739467916.db2.gz HLSRUKXLPNMIFL-UHFFFAOYSA-N 0 3 357.813 2.778 20 5 FFBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000935775861 740009186 /nfs/dbraw/zinc/00/91/86/740009186.db2.gz NQFFTMUAPWOXQA-SECBINFHSA-N 0 3 358.801 2.526 20 5 FFBDHN COC(=O)C1CCN(CCCNc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000804353510 740863391 /nfs/dbraw/zinc/86/33/91/740863391.db2.gz ZTFJVFMEEXAYPR-UHFFFAOYSA-N 0 3 355.822 2.935 20 5 FFBDHN COCCCN(C(=S)Nc1ccc([N+](=O)[O-])cc1)C1CCN(C)CC1 ZINC000811716656 741552055 /nfs/dbraw/zinc/55/20/55/741552055.db2.gz XYOJSWASLWHVRC-UHFFFAOYSA-N 0 3 366.487 2.724 20 5 FFBDHN CC(COC(=O)C[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)[N+](=O)[O-] ZINC000813112878 741678237 /nfs/dbraw/zinc/67/82/37/741678237.db2.gz VMQFPFVXANYVFI-QWHCGFSZSA-N 0 3 358.435 2.868 20 5 FFBDHN CC(COC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1)[N+](=O)[O-] ZINC000813110601 741678564 /nfs/dbraw/zinc/67/85/64/741678564.db2.gz FGVFDLFZAUQGDH-LLVKDONJSA-N 0 3 358.379 2.818 20 5 FFBDHN Cc1c(Br)c2ccccc2n1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813114733 741678760 /nfs/dbraw/zinc/67/87/60/741678760.db2.gz VXGPEGSUDXZJBL-VIFPVBQESA-N 0 3 355.188 2.921 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C[C@@H]1N(C)C ZINC000827425996 743573833 /nfs/dbraw/zinc/57/38/33/743573833.db2.gz NYDFWCMZEISIDA-UONOGXRCSA-N 0 3 357.863 2.674 20 5 FFBDHN CO[C@@H]1C[C@@H](N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC000831334456 745516559 /nfs/dbraw/zinc/51/65/59/745516559.db2.gz WHVFPDBVGDNLEX-OWYVNGRQSA-N 0 3 355.822 2.978 20 5 FFBDHN C[C@H]1CN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCN(C2CC2)C1 ZINC000838514883 746655927 /nfs/dbraw/zinc/65/59/27/746655927.db2.gz WPYLBPIJMXLKRS-GFCCVEGCSA-N 0 3 366.849 2.874 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](O)CNC[C@@H](O)c2c(F)cccc2Cl)c1 ZINC000843084476 747765555 /nfs/dbraw/zinc/76/55/55/747765555.db2.gz BBTQEGOGPWBQBS-HUUCEWRRSA-N 0 3 354.765 2.744 20 5 FFBDHN Cc1cc([C@H](N)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc(Cl)n1 ZINC000843371923 747819365 /nfs/dbraw/zinc/81/93/65/747819365.db2.gz FFSKPGSUSQZGSD-CQSZACIVSA-N 0 3 360.801 2.931 20 5 FFBDHN Cc1cc(COCC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])on1 ZINC000845884098 748344772 /nfs/dbraw/zinc/34/47/72/748344772.db2.gz XKNDLHKIXONWJY-ZBEGNZNMSA-N 0 3 352.318 2.588 20 5 FFBDHN CC([C@@H](OC(=O)CCCCc1c[nH]nn1)c1ccccc1F)[N+](=O)[O-] ZINC000845883531 748344854 /nfs/dbraw/zinc/34/48/54/748344854.db2.gz UMPBVOVKKPAETI-MEDUHNTESA-N 0 3 350.350 2.606 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000134883597 960091977 /nfs/dbraw/zinc/09/19/77/960091977.db2.gz LOJGNWBUKQNTKH-YJBOKZPZSA-N 0 3 353.422 2.917 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000134886727 960092830 /nfs/dbraw/zinc/09/28/30/960092830.db2.gz ZJZYVWCVHAPDSK-CJNGLKHVSA-N 0 3 354.410 2.691 20 5 FFBDHN C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)[C@H]1CN(C)CCN1C ZINC000895246128 968758339 /nfs/dbraw/zinc/75/83/39/968758339.db2.gz LRGZWYRJFHRBQU-CXAGYDPISA-N 0 3 373.432 2.842 20 5 FFBDHN Cc1noc(C[C@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)n1 ZINC000759932894 975339470 /nfs/dbraw/zinc/33/94/70/975339470.db2.gz XHUJPIPRCBUHRC-ROUUACIJSA-N 0 3 368.393 2.893 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000152204443 979133321 /nfs/dbraw/zinc/13/33/21/979133321.db2.gz DQUGJYCLARFOGL-AWEZNQCLSA-N 0 3 357.414 2.849 20 5 FFBDHN O=[N+]([O-])c1cnn(C2CC(NCc3ccncc3OCC(F)(F)F)C2)c1 ZINC000877500753 1014601629 /nfs/dbraw/zinc/60/16/29/1014601629.db2.gz IRQANCGFCSWATL-UHFFFAOYSA-N 0 3 371.319 2.621 20 5 FFBDHN COc1cc(Cc2noc(C34CCCN(CCC3)C4)n2)ccc1[N+](=O)[O-] ZINC000904023783 980162916 /nfs/dbraw/zinc/16/29/16/980162916.db2.gz UDMTYXBNDMYXHI-UHFFFAOYSA-N 0 3 358.398 2.705 20 5 FFBDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC001212035579 981464213 /nfs/dbraw/zinc/46/42/13/981464213.db2.gz OUXXNONYDWJBML-CQSZACIVSA-N 0 3 357.476 2.610 20 5 FFBDHN O=[N+]([O-])c1ccccc1-c1nnc(CN2CCN(C3CCCC3)CC2)o1 ZINC000877954428 1014783205 /nfs/dbraw/zinc/78/32/05/1014783205.db2.gz XXXVWQUDDGWABQ-UHFFFAOYSA-N 0 3 357.414 2.705 20 5 FFBDHN COCCO[C@]12CCC[C@@]1(NC/C=C/c1ccccc1[N+](=O)[O-])CCO2 ZINC000898001349 982574947 /nfs/dbraw/zinc/57/49/47/982574947.db2.gz LLMXKTNKFRIWSZ-LVLPYEQSSA-N 0 3 362.426 2.900 20 5 FFBDHN C[C@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000058276984 984571721 /nfs/dbraw/zinc/57/17/21/984571721.db2.gz YRCXORSBJYTFAU-HNNXBMFYSA-N 0 3 360.458 2.799 20 5 FFBDHN Cc1c(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000063756322 986030508 /nfs/dbraw/zinc/03/05/08/986030508.db2.gz ZUIGOERPKCBCHM-NWDGAFQWSA-N 0 3 364.402 2.662 20 5 FFBDHN COc1cccc(C(=O)NC[C@H](C)N(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000194334696 989211488 /nfs/dbraw/zinc/21/14/88/989211488.db2.gz ZHSYWNWDRDFVTL-AWEZNQCLSA-N 0 3 357.410 2.854 20 5 FFBDHN CCCN(CCN1CCCC1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000808918367 994332798 /nfs/dbraw/zinc/33/27/98/994332798.db2.gz GHUNUEPNELLJCD-UHFFFAOYSA-N 0 3 364.402 2.759 20 5 FFBDHN CC(COC(=O)Cn1c(Cc2ccccc2)nc2ccccc21)[N+](=O)[O-] ZINC000813101869 995614995 /nfs/dbraw/zinc/61/49/95/995614995.db2.gz KLEPZQAWPGOGEP-CQSZACIVSA-N 0 3 353.378 2.836 20 5 FFBDHN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813112178 995625219 /nfs/dbraw/zinc/62/52/19/995625219.db2.gz DCETWBCUGRCXSQ-AWEZNQCLSA-N 0 3 359.426 2.998 20 5 FFBDHN CC(COC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813114135 995626880 /nfs/dbraw/zinc/62/68/80/995626880.db2.gz ZDBPRRFBNOMUNL-VXGBXAGGSA-N 0 3 374.353 2.985 20 5 FFBDHN O=C1CCCCN1[C@@H]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000732807506 998780927 /nfs/dbraw/zinc/78/09/27/998780927.db2.gz PQCZVEVRTMTCDD-QGZVFWFLSA-N 0 3 361.442 2.841 20 5 FFBDHN CCc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)N(C)C)cc1 ZINC000791301916 1002639102 /nfs/dbraw/zinc/63/91/02/1002639102.db2.gz UHKHCAGJUQBYRR-SFHVURJKSA-N 0 3 374.416 2.911 20 5 FFBDHN COc1ccc(C[C@@H](C)N2CC[C@H](Oc3ncncc3C)C2)c([N+](=O)[O-])c1 ZINC001170355006 1003122575 /nfs/dbraw/zinc/12/25/75/1003122575.db2.gz UIAJYXLOWWALAS-PBHICJAKSA-N 0 3 372.425 2.786 20 5 FFBDHN CCc1ncnc2c1CCN([C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])CC2 ZINC001170341527 1003130570 /nfs/dbraw/zinc/13/05/70/1003130570.db2.gz QYTYRBBJRAPBGA-CQSZACIVSA-N 0 3 370.453 2.988 20 5 FFBDHN O=C(CCN[C@@]1(c2ccccc2)C[C@@H](O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001197574901 1004261527 /nfs/dbraw/zinc/26/15/27/1004261527.db2.gz XSZCEOKKFZEBTF-IZAXUBKRSA-N 0 3 355.394 2.563 20 5 FFBDHN COC(=O)COc1ccc(CNC[C@@H](OC)c2ccccc2)cc1[N+](=O)[O-] ZINC001199657251 1004991123 /nfs/dbraw/zinc/99/11/23/1004991123.db2.gz HSCSYOKLNXQEPF-GOSISDBHSA-N 0 3 374.393 2.624 20 5 FFBDHN CCCCN(C)C(=O)C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776579099 1005959900 /nfs/dbraw/zinc/95/99/00/1005959900.db2.gz JENUWULZLFIUQU-GOSISDBHSA-N 0 3 363.458 2.599 20 5 FFBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H](c2ccncc2)C2(CO)CCC2)c1 ZINC000853134835 1006309706 /nfs/dbraw/zinc/30/97/06/1006309706.db2.gz YEINRCXDTBJRON-ROUUACIJSA-N 0 3 357.410 2.517 20 5 FFBDHN Cc1c(CO)cc([N+](=O)[O-])c(N[C@H](C)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000853866865 1006561631 /nfs/dbraw/zinc/56/16/31/1006561631.db2.gz BKAITXWKRHGPGA-GFCCVEGCSA-N 0 3 366.418 2.836 20 5 FFBDHN COc1ccc([C@H](CN(C)C)NC(=O)c2cc([N+](=O)[O-])ccc2F)cc1 ZINC000854398232 1006813692 /nfs/dbraw/zinc/81/36/92/1006813692.db2.gz VAIDUQGVJWPXLD-KRWDZBQOSA-N 0 3 361.373 2.775 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000885880201 1007819507 /nfs/dbraw/zinc/81/95/07/1007819507.db2.gz ODIAPHIFMJJZJX-MRXNPFEDSA-N 0 3 361.442 2.503 20 5 FFBDHN CCOCCn1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cn1 ZINC000857035548 1008044240 /nfs/dbraw/zinc/04/42/40/1008044240.db2.gz HXTISMOQOIUNER-MLGOLLRUSA-N 0 3 365.361 2.622 20 5 FFBDHN O=C1NCCN1CCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000886324175 1008636750 /nfs/dbraw/zinc/63/67/50/1008636750.db2.gz ACKFMDHWHHJAHM-UHFFFAOYSA-N 0 3 374.372 2.641 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)NC/C=C/c2ccc(F)c(F)c2)cc1 ZINC001179524820 1009352396 /nfs/dbraw/zinc/35/23/96/1009352396.db2.gz ASCYDLXJGWHOHM-ZHEVZCJESA-N 0 3 364.348 2.570 20 5 FFBDHN CO[C@H]1CN(C)[C@@](C)(COC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C1 ZINC000861353165 1009371123 /nfs/dbraw/zinc/37/11/23/1009371123.db2.gz MIMAULZURQFLHR-RDTXWAMCSA-N 0 3 366.414 2.648 20 5 FFBDHN O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000794588366 1010392688 /nfs/dbraw/zinc/39/26/88/1010392688.db2.gz SSWWTSTVFBHJQT-OAHLLOKOSA-N 0 3 359.357 2.553 20 5 FFBDHN CC(C)[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000794604647 1010437671 /nfs/dbraw/zinc/43/76/71/1010437671.db2.gz MPHUJTGABIMHET-QZTJIDSGSA-N 0 3 357.410 2.542 20 5 FFBDHN CN(CCN1CC2(C1)CCOCC2)c1nccc2ccc([N+](=O)[O-])cc21 ZINC000866257269 1010964118 /nfs/dbraw/zinc/96/41/18/1010964118.db2.gz DFPXQGAOEACGEV-UHFFFAOYSA-N 0 3 356.426 2.692 20 5 FFBDHN c1cnc2c(c1)ccc1ccc(-c3noc(-c4n[nH]c5c4CNC5)n3)nc12 ZINC001217211069 1032652863 /nfs/dbraw/zinc/65/28/63/1032652863.db2.gz SCIRMRARMKMSHQ-UHFFFAOYSA-N 0 3 355.361 2.826 20 5 FFBDHN C[C@@H](c1ccccc1)[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000827309960 1017566781 /nfs/dbraw/zinc/56/67/81/1017566781.db2.gz IRSNTAZPTHLXFA-OXJNMPFZSA-N 0 3 355.438 2.881 20 5 FFBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000932192445 1020738450 /nfs/dbraw/zinc/73/84/50/1020738450.db2.gz XFJSELWAQURLBF-CYBMUJFWSA-N 0 3 374.466 2.581 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H]1c1ccnn1C ZINC000932266319 1020759473 /nfs/dbraw/zinc/75/94/73/1020759473.db2.gz PZCIKFNGGNGNSS-QGZVFWFLSA-N 0 3 357.414 2.802 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@]1(c2cnn(C)c2)CCCO1 ZINC000903358476 1020802847 /nfs/dbraw/zinc/80/28/47/1020802847.db2.gz JZDJLTVDOPMXTQ-SCLBCKFNSA-N 0 3 360.414 2.693 20 5 FFBDHN C/C(=C\C(=O)N(CCN(C)C)C[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000752029344 1023028669 /nfs/dbraw/zinc/02/86/69/1023028669.db2.gz DPJZJZSKFKIQSY-FDPSAONLSA-N 0 3 361.442 2.567 20 5 FFBDHN CC(C)(C)OC(=O)C1CCC(O)(CNCc2ccccc2[N+](=O)[O-])CC1 ZINC001120560532 1023361277 /nfs/dbraw/zinc/36/12/77/1023361277.db2.gz FMDXYIGNYYALAS-UHFFFAOYSA-N 0 3 364.442 2.947 20 5 FFBDHN O=[N+]([O-])c1cc(Br)c(F)cc1O[C@@H]1CNCCC1(F)F ZINC001218449326 1033160477 /nfs/dbraw/zinc/16/04/77/1033160477.db2.gz UIYWBQVPDRZKLK-SNVBAGLBSA-N 0 3 355.110 2.872 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2ncn(CN3CCCC[C@@H]3[C@@H]3CCC[C@H]3O)n2)c1 ZINC000840114437 1026961921 /nfs/dbraw/zinc/96/19/21/1026961921.db2.gz IDYXXGVHKPOWCI-RCCFBDPRSA-N 0 3 371.441 2.826 20 5 FFBDHN C[C@@]12CN(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000840116296 1026962838 /nfs/dbraw/zinc/96/28/38/1026962838.db2.gz OAKLXBMMMKTGTO-GFIVTLFCSA-N 0 3 351.410 2.955 20 5 FFBDHN Cc1nn(CN2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c2ncc([N+](=O)[O-])cc12 ZINC000840117172 1026964453 /nfs/dbraw/zinc/96/44/53/1026964453.db2.gz SKSGVOHMYIMWDP-DJIMGWMZSA-N 0 3 359.430 2.621 20 5 FFBDHN NCc1ccc2c(n1)N(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)CCC2 ZINC001158648575 1027083950 /nfs/dbraw/zinc/08/39/50/1027083950.db2.gz BLOFKMVMRLLFGD-UHFFFAOYSA-N 0 3 369.759 2.999 20 5 FFBDHN CN(CCCN(C)Cn1c(=O)oc2cccc([N+](=O)[O-])c21)Cc1ccco1 ZINC000795754624 1028097789 /nfs/dbraw/zinc/09/77/89/1028097789.db2.gz ZGVGCABVKAEISN-UHFFFAOYSA-N 0 3 374.397 2.507 20 5 FFBDHN COC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1CCCN1Cc1ccccc1 ZINC001161885283 1028349245 /nfs/dbraw/zinc/34/92/45/1028349245.db2.gz MFHONRRTWGICHW-HNNXBMFYSA-N 0 3 370.409 2.853 20 5 FFBDHN CN(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccc(Cl)cc1 ZINC001155644160 1028831198 /nfs/dbraw/zinc/83/11/98/1028831198.db2.gz ZGGDKBBPFMHLRL-INIZCTEOSA-N 0 3 362.817 2.863 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2ccc(N[C@H]3CCCC[C@@]34CNCCO4)nn2)c1 ZINC001163644157 1029005664 /nfs/dbraw/zinc/00/56/64/1029005664.db2.gz AGHNSRYAYBJJBR-PKOBYXMFSA-N 0 3 369.425 2.765 20 5 FFBDHN O=[N+]([O-])c1cnc(N[C@H]2CCCC[C@@]23CNCCO3)c(C(F)(F)F)c1 ZINC001163649585 1029007378 /nfs/dbraw/zinc/00/73/78/1029007378.db2.gz AMQXUKNXJYTXGE-GXTWGEPZSA-N 0 3 360.336 2.722 20 5 FFBDHN CNC(=O)c1ccc(N2CCN[C@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC001164400825 1029275941 /nfs/dbraw/zinc/27/59/41/1029275941.db2.gz NDWFWRFFRPQRMT-HNNXBMFYSA-N 0 3 374.828 2.759 20 5 FFBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000782093167 1029566358 /nfs/dbraw/zinc/56/63/58/1029566358.db2.gz YUBOSNRILHYYJJ-HOTGVXAUSA-N 0 3 370.327 2.970 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ncn(CN3CCC[C@@H]3[C@H]3CCCOC3)n2)cc1 ZINC000842613230 1030821541 /nfs/dbraw/zinc/82/15/41/1030821541.db2.gz BEIIXWLQJIEDCH-DOTOQJQBSA-N 0 3 357.414 2.702 20 5 FFBDHN O=C1N(CN2CCC[C@@H]2[C@H]2CCCOC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000842620102 1030834391 /nfs/dbraw/zinc/83/43/91/1030834391.db2.gz YRTATGJDMZCBII-JKSUJKDBSA-N 0 3 374.441 2.685 20 5 FFBDHN CCN(CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)c1cccc(OC)c1 ZINC000797552451 1031150341 /nfs/dbraw/zinc/15/03/41/1031150341.db2.gz CMBRPMQOLGWSGK-GOSISDBHSA-N 0 3 374.441 2.755 20 5 FFBDHN O=C(CO[C@H]1CCN(Cc2ccccc2)C1)OCc1ccc([N+](=O)[O-])cc1 ZINC001224985962 1034079920 /nfs/dbraw/zinc/07/99/20/1034079920.db2.gz BTDLQHXNUMBYBP-IBGZPJMESA-N 0 3 370.405 2.929 20 5 FFBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000831572903 1034129523 /nfs/dbraw/zinc/12/95/23/1034129523.db2.gz XDRXJPKVSMQVLT-UPJWGTAASA-N 0 3 371.359 2.998 20 5 FFBDHN Nc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001299674008 1040568353 /nfs/dbraw/zinc/56/83/53/1040568353.db2.gz DSOQXKRLXBOITI-BEFAXECRSA-N 0 3 366.421 2.524 20 5 FFBDHN COc1ccc(OC)c(-c2noc(C[C@@H](N)c3ccccc3[N+](=O)[O-])n2)c1 ZINC001249343344 1040692852 /nfs/dbraw/zinc/69/28/52/1040692852.db2.gz YILPWOMRJQWLEW-CQSZACIVSA-N 0 3 370.365 2.905 20 5 FFBDHN Cc1cccn2c(CNC3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nnc12 ZINC001254464798 1040733267 /nfs/dbraw/zinc/73/32/67/1040733267.db2.gz LLVFBBXFYQGDDL-UHFFFAOYSA-N 0 3 366.425 2.705 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](NCc1ccnc(OCC3CCC3)n1)C2 ZINC001254586192 1040818480 /nfs/dbraw/zinc/81/84/80/1040818480.db2.gz IFVWMGVOPUCAOX-QGZVFWFLSA-N 0 3 354.410 2.821 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCCN(Cc3ccncc3)CC1)C2 ZINC001254599744 1040829623 /nfs/dbraw/zinc/82/96/23/1040829623.db2.gz PRZNPGZAKOKYFZ-HXUWFJFHSA-N 0 3 352.438 2.665 20 5 FFBDHN Cc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)OCCNC3)cc1[N+](=O)[O-] ZINC001263091293 1042097029 /nfs/dbraw/zinc/09/70/29/1042097029.db2.gz JQROSNQVWTVIAS-CYBMUJFWSA-N 0 3 355.394 2.876 20 5 FFBDHN COc1cc(-c2nc(-c3ccc4c(n3)CCNC4)no2)c([N+](=O)[O-])cc1F ZINC001216721941 1042104858 /nfs/dbraw/zinc/10/48/58/1042104858.db2.gz WIFCCSWIYKMRRP-UHFFFAOYSA-N 0 3 371.328 2.500 20 5 FFBDHN CCOc1ccc(Br)c(C(=O)OCC(C)[N+](=O)[O-])c1F ZINC001263501983 1042345989 /nfs/dbraw/zinc/34/59/89/1042345989.db2.gz HMGRXCZGJLYGDZ-ZETCQYMHSA-N 0 3 350.140 2.809 20 5 FFBDHN CC(C)n1cnnc1[C@H]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001324939955 1046296813 /nfs/dbraw/zinc/29/68/13/1046296813.db2.gz BURRXQQOQIEMFK-RDJZCZTQSA-N 0 3 359.430 2.680 20 5 FFBDHN CS[C@@H]1CN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC001295851284 1049991488 /nfs/dbraw/zinc/99/14/88/1049991488.db2.gz FCWQFHDVSGCQFE-LSDHHAIUSA-N 0 3 371.890 2.685 20 5 FFBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC001343003610 1051620129 /nfs/dbraw/zinc/62/01/29/1051620129.db2.gz XPZIXRHBRPDCEL-QZTJIDSGSA-N 0 3 360.458 2.796 20 5 FFBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC001343003612 1051620404 /nfs/dbraw/zinc/62/04/04/1051620404.db2.gz XPZIXRHBRPDCEL-ROUUACIJSA-N 0 3 360.458 2.796 20 5 FFBDHN CN1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC001307655708 1052331556 /nfs/dbraw/zinc/33/15/56/1052331556.db2.gz LPTHWEOKCSMPKD-IBGZPJMESA-N 0 3 368.437 2.912 20 5 FFBDHN CN1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC001307655710 1052332044 /nfs/dbraw/zinc/33/20/44/1052332044.db2.gz LPTHWEOKCSMPKD-LJQANCHMSA-N 0 3 368.437 2.912 20 5 FFBDHN CCC(C)(C)CCN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001307851177 1052356973 /nfs/dbraw/zinc/35/69/73/1052356973.db2.gz LTWYDGNEFHPHKV-UHFFFAOYSA-N 0 3 357.476 2.631 20 5 FFBDHN CN(C)c1cc(F)c(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000847254991 1055322459 /nfs/dbraw/zinc/32/24/59/1055322459.db2.gz IGNYBJMAUCTYED-HUUCEWRRSA-N 0 3 364.421 2.547 20 5 FFBDHN Cc1cc(NC(=O)N(CCN(C)C)Cc2ccccn2)cc([N+](=O)[O-])c1 ZINC001350262683 1055699129 /nfs/dbraw/zinc/69/91/29/1055699129.db2.gz RFBBCZQAHYLRDZ-UHFFFAOYSA-N 0 3 357.414 2.894 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CN[C@H](CO)[C@H]2CCOC2)o1 ZINC001474094919 1065455132 /nfs/dbraw/zinc/45/51/32/1065455132.db2.gz ZZUFOIFFZQMMCB-XHDPSFHLSA-N 0 3 366.801 2.995 20 5 FFBDHN C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590188082 1081078124 /nfs/dbraw/zinc/07/81/24/1081078124.db2.gz PRDVKQCJBVROLQ-XQQFMLRXSA-N 0 3 359.434 2.553 20 5 FFBDHN C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590188082 1081078129 /nfs/dbraw/zinc/07/81/29/1081078129.db2.gz PRDVKQCJBVROLQ-XQQFMLRXSA-N 0 3 359.434 2.553 20 5 FFBDHN C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590188082 1081078136 /nfs/dbraw/zinc/07/81/36/1081078136.db2.gz PRDVKQCJBVROLQ-XQQFMLRXSA-N 0 3 359.434 2.553 20 5 FFBDHN C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590188082 1081078144 /nfs/dbraw/zinc/07/81/44/1081078144.db2.gz PRDVKQCJBVROLQ-XQQFMLRXSA-N 0 3 359.434 2.553 20 5 FFBDHN C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590187834 1081078453 /nfs/dbraw/zinc/07/84/53/1081078453.db2.gz NXFKVPCKFCDPGJ-BETUJISGSA-N 0 3 359.434 2.555 20 5 FFBDHN C[C@@H]1C[C@H](C)C[N@H+](CCCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590187834 1081078459 /nfs/dbraw/zinc/07/84/59/1081078459.db2.gz NXFKVPCKFCDPGJ-BETUJISGSA-N 0 3 359.434 2.555 20 5 FFBDHN C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590187834 1081078463 /nfs/dbraw/zinc/07/84/63/1081078463.db2.gz NXFKVPCKFCDPGJ-BETUJISGSA-N 0 3 359.434 2.555 20 5 FFBDHN C[C@@H]1C[C@H](C)C[N@H+](CCCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590187834 1081078469 /nfs/dbraw/zinc/07/84/69/1081078469.db2.gz NXFKVPCKFCDPGJ-BETUJISGSA-N 0 3 359.434 2.555 20 5 FFBDHN COc1ccc(C[C@](C)(CO)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC001620623682 1126241167 /nfs/dbraw/zinc/24/11/67/1126241167.db2.gz DUJCXTCIJOBJGO-LJQANCHMSA-N 0 3 370.409 2.563 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN(C(C)C)C(C)C ZINC000058500568 205276548 /nfs/dbraw/zinc/27/65/48/205276548.db2.gz ZINLIUBRKVDWRR-UHFFFAOYSA-N 0 3 357.476 2.554 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)NCCN2CCC(C)CC2)cc1SC ZINC000103069931 250132774 /nfs/dbraw/zinc/13/27/74/250132774.db2.gz HLGGGHOTYQTXLQ-UHFFFAOYSA-N 0 3 367.471 2.787 20 5 FFBDHN CN1CCC(Nc2ccccc2NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000103251625 250141544 /nfs/dbraw/zinc/14/15/44/250141544.db2.gz RYMBNKUQPRWGAH-UHFFFAOYSA-N 0 3 369.425 2.935 20 5 FFBDHN CN(C)CCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccccc1 ZINC000181146749 251248247 /nfs/dbraw/zinc/24/82/47/251248247.db2.gz KJSZTTOUXNLUJT-UHFFFAOYSA-N 0 3 357.366 2.532 20 5 FFBDHN COc1cc(CNC[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OCC(F)F ZINC000272349033 252017247 /nfs/dbraw/zinc/01/72/47/252017247.db2.gz CWZYYSMEFVBTRP-RISCZKNCSA-N 0 3 374.384 2.888 20 5 FFBDHN CN1CC[C@H]2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)[C@H]2C1 ZINC000272496047 252052838 /nfs/dbraw/zinc/05/28/38/252052838.db2.gz VCVCVOZYXSYEMY-GWCFXTLKSA-N 0 3 370.356 2.754 20 5 FFBDHN CC1CCN(CCN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272517499 252057900 /nfs/dbraw/zinc/05/79/00/252057900.db2.gz KLADHWADKCERHA-GOSISDBHSA-N 0 3 357.458 2.739 20 5 FFBDHN C[C@@H]1CCCCN1CCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272527028 252060989 /nfs/dbraw/zinc/06/09/89/252060989.db2.gz MGGNGMVKISUEHY-CRAIPNDOSA-N 0 3 357.458 2.882 20 5 FFBDHN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C1=CCN(C)CC1 ZINC000273007126 252188993 /nfs/dbraw/zinc/18/89/93/252188993.db2.gz RVPCVIVXTHVHMW-HNNXBMFYSA-N 0 3 372.469 2.965 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](CO)c1ccc(F)cc1 ZINC000273098734 252215531 /nfs/dbraw/zinc/21/55/31/252215531.db2.gz LOTWBEDPFOFMFZ-KRWDZBQOSA-N 0 3 361.373 2.694 20 5 FFBDHN C[C@@H](CCc1ccco1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273486602 252315543 /nfs/dbraw/zinc/31/55/43/252315543.db2.gz VTLMEEMGKSVFML-ZDUSSCGKSA-N 0 3 352.412 2.572 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCc3ccccc3C2)cc1 ZINC000273487743 252317074 /nfs/dbraw/zinc/31/70/74/252317074.db2.gz WADCYHKQEFCGJZ-INIZCTEOSA-N 0 3 360.435 2.516 20 5 FFBDHN CS[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@H]1N1CCCC1 ZINC000275825021 256052005 /nfs/dbraw/zinc/05/20/05/256052005.db2.gz RQXQJBVESNWDSI-HUUCEWRRSA-N 0 3 368.434 2.777 20 5 FFBDHN Cc1nc2sccn2c(=O)c1CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000285769742 257003777 /nfs/dbraw/zinc/00/37/77/257003777.db2.gz WSJNSPOQBJYJEM-NSHDSACASA-N 0 3 358.423 2.866 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000277278308 256179999 /nfs/dbraw/zinc/17/99/99/256179999.db2.gz BBLKLQCEJXVCLZ-AWEZNQCLSA-N 0 3 364.446 2.834 20 5 FFBDHN CC(C)N(CCN(C)C)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000278699966 256339602 /nfs/dbraw/zinc/33/96/02/256339602.db2.gz QFFUMCFXUPORGY-UHFFFAOYSA-N 0 3 364.265 2.831 20 5 FFBDHN CN(C)C(=O)N1CCC(NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000278316539 256298645 /nfs/dbraw/zinc/29/86/45/256298645.db2.gz BKAONIQXKBYZOZ-UHFFFAOYSA-N 0 3 374.363 2.849 20 5 FFBDHN C[C@@H]1CN(C2CCOCC2)CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000278874268 256357177 /nfs/dbraw/zinc/35/71/77/256357177.db2.gz VPMSVSANUSSOKS-CQSZACIVSA-N 0 3 356.426 2.833 20 5 FFBDHN CC1(C)C[C@H](NCc2cccc(OCC(N)=O)c2)c2cc([N+](=O)[O-])ccc21 ZINC000279003476 256371360 /nfs/dbraw/zinc/37/13/60/256371360.db2.gz GDMDSBUZDNCOHM-SFHVURJKSA-N 0 3 369.421 2.971 20 5 FFBDHN COC[C@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCCO1 ZINC000279092584 256380966 /nfs/dbraw/zinc/38/09/66/256380966.db2.gz PNEDYPUYBIQMHM-JKSUJKDBSA-N 0 3 361.398 2.576 20 5 FFBDHN CCS[C@H]1CCC[C@H]1NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000286236664 257027067 /nfs/dbraw/zinc/02/70/67/257027067.db2.gz RQOCTLIMUBCUQB-HIFRSBDPSA-N 0 3 353.444 2.806 20 5 FFBDHN Nc1ccc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)c([N+](=O)[O-])c1 ZINC000287628068 257099488 /nfs/dbraw/zinc/09/94/88/257099488.db2.gz GZYWZKFBBOMQFA-QGZVFWFLSA-N 0 3 356.426 2.880 20 5 FFBDHN CC[C@@H](NC[C@@](C)(O)CNC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000289300697 257273109 /nfs/dbraw/zinc/27/31/09/257273109.db2.gz BMMFPMACRILUME-CRAIPNDOSA-N 0 3 367.446 2.911 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H](c3ccncc3)C2)c1 ZINC000289358050 257276577 /nfs/dbraw/zinc/27/65/77/257276577.db2.gz NVOMIBKVQJTHOR-AEFFLSMTSA-N 0 3 357.410 2.609 20 5 FFBDHN COc1cc(CN[C@@H](CO)C2CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000289593196 257288967 /nfs/dbraw/zinc/28/89/67/257288967.db2.gz RCGCLYWBQCWZCN-LBPRGKRZSA-N 0 3 360.357 2.846 20 5 FFBDHN Cn1ncc(CCCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000292889967 257521620 /nfs/dbraw/zinc/52/16/20/257521620.db2.gz FRROGASJERRSRB-UHFFFAOYSA-N 0 3 358.427 2.569 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000295237866 257622865 /nfs/dbraw/zinc/62/28/65/257622865.db2.gz ZXCGTEABBPGYAX-NOZJJQNGSA-N 0 3 357.332 2.826 20 5 FFBDHN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@H]1CN1CCCC1 ZINC000299613411 258009810 /nfs/dbraw/zinc/00/98/10/258009810.db2.gz ZFNUBHUSDSIYQL-KRWDZBQOSA-N 0 3 372.469 2.895 20 5 FFBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CCN1CC(C)(C)O ZINC000302517670 258104489 /nfs/dbraw/zinc/10/44/89/258104489.db2.gz WAMZHCUPSCWCJD-OAHLLOKOSA-N 0 3 370.453 2.938 20 5 FFBDHN COC(=O)c1cnc(NCC(C)(C)N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000302784772 258110727 /nfs/dbraw/zinc/11/07/27/258110727.db2.gz UZJICVUEICXLSL-LBPRGKRZSA-N 0 3 350.419 2.699 20 5 FFBDHN CN(C)[C@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)Cc1ccccc1 ZINC000301605425 258058451 /nfs/dbraw/zinc/05/84/51/258058451.db2.gz MKJGQBRKLABTAG-AWEZNQCLSA-N 0 3 370.409 2.511 20 5 FFBDHN C[C@H]1CN(CC2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000301754798 258066297 /nfs/dbraw/zinc/06/62/97/258066297.db2.gz WXSZVJGTLROLQS-STQMWFEESA-N 0 3 368.865 2.969 20 5 FFBDHN CN(C)[C@@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])C1CCCCC1 ZINC000301858648 258071287 /nfs/dbraw/zinc/07/12/87/258071287.db2.gz CWVSWRDUCIPKDI-HNNXBMFYSA-N 0 3 369.487 2.921 20 5 FFBDHN CC[C@H]1CN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CCN1C[C@H](C)O ZINC000302022638 258082756 /nfs/dbraw/zinc/08/27/56/258082756.db2.gz ORBSVYMQNHZYLG-GJZGRUSLSA-N 0 3 358.442 2.733 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C[C@H]1N(C)C ZINC000330646136 258167324 /nfs/dbraw/zinc/16/73/24/258167324.db2.gz GTUFZISLINYBRT-ZIAGYGMSSA-N 0 3 351.472 2.638 20 5 FFBDHN CC(C)c1n[nH]c(C(=O)N[C@@H](C)CN2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000331212509 258179648 /nfs/dbraw/zinc/17/96/48/258179648.db2.gz KFKYEFNLAOQMJN-UPJWGTAASA-N 0 3 351.451 2.538 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1C ZINC000332656361 258239418 /nfs/dbraw/zinc/23/94/18/258239418.db2.gz JQUOXJYLIIKZTB-YPMHNXCESA-N 0 3 360.439 2.931 20 5 FFBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c1 ZINC000370945258 512146762 /nfs/dbraw/zinc/14/67/62/512146762.db2.gz UACDKDMVABIFKG-LBPRGKRZSA-N 0 3 359.361 2.951 20 5 FFBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000065881509 506384997 /nfs/dbraw/zinc/38/49/97/506384997.db2.gz NLKCSASIIDEXIT-WBVHZDCISA-N 0 3 368.437 2.958 20 5 FFBDHN CNC(=O)c1ccc(NC[C@@H](c2cccc(OC)c2)N(C)C)c([N+](=O)[O-])c1 ZINC000053550529 506402512 /nfs/dbraw/zinc/40/25/12/506402512.db2.gz FZIXTPPPBCOIFF-SFHVURJKSA-N 0 3 372.425 2.678 20 5 FFBDHN CN(C)[C@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)Cc1ccccc1 ZINC000041799130 506553015 /nfs/dbraw/zinc/55/30/15/506553015.db2.gz CUFYALLRQIOBRH-INIZCTEOSA-N 0 3 366.421 2.979 20 5 FFBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000054645705 506595185 /nfs/dbraw/zinc/59/51/85/506595185.db2.gz GJLMYMOKBIUQEG-GOSISDBHSA-N 0 3 368.437 2.711 20 5 FFBDHN CCN(CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1cccc(OC)c1 ZINC000055291300 506719837 /nfs/dbraw/zinc/71/98/37/506719837.db2.gz NTXQDILLARGCCX-KRWDZBQOSA-N 0 3 360.414 2.744 20 5 FFBDHN C[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC[C@H]1N1CCN(C)CC1 ZINC000367059541 512318787 /nfs/dbraw/zinc/31/87/87/512318787.db2.gz HMNONCYQLPPMAW-DNVCBOLYSA-N 0 3 369.469 2.605 20 5 FFBDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000057202705 507203905 /nfs/dbraw/zinc/20/39/05/507203905.db2.gz IHSSBOCYVWEEFG-GOSISDBHSA-N 0 3 370.453 2.909 20 5 FFBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCC[C@H](C)C1 ZINC000047147921 507272727 /nfs/dbraw/zinc/27/27/27/507272727.db2.gz QQEHUXYIZRTSEZ-UONOGXRCSA-N 0 3 351.472 2.924 20 5 FFBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)o1 ZINC000068936184 507364848 /nfs/dbraw/zinc/36/48/48/507364848.db2.gz XGUSSKORDATMIY-UHFFFAOYSA-N 0 3 371.397 2.577 20 5 FFBDHN CC(C)(CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCCCC1 ZINC000048178361 507472903 /nfs/dbraw/zinc/47/29/03/507472903.db2.gz AYFRJLGSKWERJM-UHFFFAOYSA-N 0 3 371.441 2.775 20 5 FFBDHN O=C(CCN1CC[C@H](c2nc(C3CC3)no2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000375465380 512343306 /nfs/dbraw/zinc/34/33/06/512343306.db2.gz IGJLCMBWTGEASU-ZDUSSCGKSA-N 0 3 371.397 2.673 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCc2ccccc2C1 ZINC000026156245 507561812 /nfs/dbraw/zinc/56/18/12/507561812.db2.gz GWVSNTJVMQGUHR-UHFFFAOYSA-N 0 3 355.394 2.990 20 5 FFBDHN CCC[C@H](C)NC(=O)[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000051049561 507727643 /nfs/dbraw/zinc/72/76/43/507727643.db2.gz NQLVPFXVEBTJCG-HOTGVXAUSA-N 0 3 363.458 2.990 20 5 FFBDHN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000029177987 507766820 /nfs/dbraw/zinc/76/68/20/507766820.db2.gz JIXFDJUXRITPSR-LJQANCHMSA-N 0 3 369.421 2.927 20 5 FFBDHN Cc1nn(C)c(NCCCCN2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000052445790 507809469 /nfs/dbraw/zinc/80/94/69/507809469.db2.gz HRUPENYQDGDPQF-UHFFFAOYSA-N 0 3 372.473 2.651 20 5 FFBDHN Cc1cccc(C(=O)NCC2(N3CCSCC3)CCCC2)c1[N+](=O)[O-] ZINC000031961682 507822685 /nfs/dbraw/zinc/82/26/85/507822685.db2.gz SKOQRRONANLWAA-UHFFFAOYSA-N 0 3 363.483 2.995 20 5 FFBDHN Cc1cc2ncc([C@H](C)NCCOc3ccc([N+](=O)[O-])cc3)c(C)n2n1 ZINC000089580991 507847453 /nfs/dbraw/zinc/84/74/53/507847453.db2.gz WEYSOVKAQYBHTI-ZDUSSCGKSA-N 0 3 355.398 2.984 20 5 FFBDHN Cc1c(C(=O)N2CCC[C@@H](N3CCCC3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000107600107 507859056 /nfs/dbraw/zinc/85/90/56/507859056.db2.gz ONYFWPYNFRKDIP-CYBMUJFWSA-N 0 3 362.386 2.512 20 5 FFBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000108300927 507885238 /nfs/dbraw/zinc/88/52/38/507885238.db2.gz AXRNLILVZLCVSU-CQSZACIVSA-N 0 3 372.450 2.932 20 5 FFBDHN CN1CCC[C@H](CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000108336559 507887867 /nfs/dbraw/zinc/88/78/67/507887867.db2.gz BSYAUIIRFYCGIO-GFCCVEGCSA-N 0 3 360.439 2.790 20 5 FFBDHN O=[N+]([O-])c1cccc(OCCN(C[C@@H]2CCCO2)[C@@H]2CCSC2)c1 ZINC000089952824 507889965 /nfs/dbraw/zinc/88/99/65/507889965.db2.gz QWJHXIDGNVROHU-WBVHZDCISA-N 0 3 352.456 2.960 20 5 FFBDHN O=[N+]([O-])c1cccc(OCCN(C[C@H]2CCCO2)[C@@H]2CCSC2)c1 ZINC000089952825 507890077 /nfs/dbraw/zinc/89/00/77/507890077.db2.gz QWJHXIDGNVROHU-NVXWUHKLSA-N 0 3 352.456 2.960 20 5 FFBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000090553059 507927388 /nfs/dbraw/zinc/92/73/88/507927388.db2.gz OVDZKYVDXPJBPT-CQSZACIVSA-N 0 3 368.393 2.777 20 5 FFBDHN C[C@H](NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000090913888 507939126 /nfs/dbraw/zinc/93/91/26/507939126.db2.gz NOZHCLJBAMDXJM-YSSFQJQWSA-N 0 3 355.438 2.881 20 5 FFBDHN COc1ccc(C(=O)NC[C@H](C)N(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000110353446 508023026 /nfs/dbraw/zinc/02/30/26/508023026.db2.gz PSNHYSYYQQJESQ-AWEZNQCLSA-N 0 3 357.410 2.854 20 5 FFBDHN C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)CCN1Cc1ccccc1 ZINC000080230700 508054456 /nfs/dbraw/zinc/05/44/56/508054456.db2.gz ZEJJLJIALRSMQQ-UKRRQHHQSA-N 0 3 369.425 2.554 20 5 FFBDHN C[C@@H]1CC(C)(C)C[C@@](CO)(NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000080899228 508109771 /nfs/dbraw/zinc/10/97/71/508109771.db2.gz NXPZMEZJZKMWOB-KUHUBIRLSA-N 0 3 363.458 2.725 20 5 FFBDHN CCN(CCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000101957282 508261847 /nfs/dbraw/zinc/26/18/47/508261847.db2.gz SRZPGBUJYOCIIF-UHFFFAOYSA-N 0 3 360.439 2.932 20 5 FFBDHN CN1CCC2(CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000371412832 512387023 /nfs/dbraw/zinc/38/70/23/512387023.db2.gz KDFWNHUMKGIMRM-UHFFFAOYSA-N 0 3 351.834 2.878 20 5 FFBDHN CCCN(CCN(C)C)C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000103206728 508301809 /nfs/dbraw/zinc/30/18/09/508301809.db2.gz UIXHIKGLORCJJD-UHFFFAOYSA-N 0 3 355.460 2.739 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000114645231 508333323 /nfs/dbraw/zinc/33/33/23/508333323.db2.gz KDDUBHJUJBLKTA-MRXNPFEDSA-N 0 3 354.410 2.693 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000114645229 508333611 /nfs/dbraw/zinc/33/36/11/508333611.db2.gz KDDUBHJUJBLKTA-INIZCTEOSA-N 0 3 354.410 2.693 20 5 FFBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000087135535 508339136 /nfs/dbraw/zinc/33/91/36/508339136.db2.gz ARCLBQHASRDIHD-HUUCEWRRSA-N 0 3 360.458 2.783 20 5 FFBDHN CN(C)CCN(Cc1ccco1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000088229573 508359071 /nfs/dbraw/zinc/35/90/71/508359071.db2.gz IBYFLXJRJGWDRL-UHFFFAOYSA-N 0 3 356.382 2.873 20 5 FFBDHN CN(C)CCN(Cc1ccco1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000088597144 508377687 /nfs/dbraw/zinc/37/76/87/508377687.db2.gz SFYRUXVEQUQUKX-UHFFFAOYSA-N 0 3 360.414 2.504 20 5 FFBDHN CCOC(=O)c1ccnc(N2CCCC[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000077965551 508394891 /nfs/dbraw/zinc/39/48/91/508394891.db2.gz CGPJVQQFGMXIQJ-AWEZNQCLSA-N 0 3 362.430 2.621 20 5 FFBDHN COc1ccc(-c2ccc(CN[C@H]3CCN(C(C)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000152946326 508533252 /nfs/dbraw/zinc/53/32/52/508533252.db2.gz NEBUPBDBJCCBFV-ZDUSSCGKSA-N 0 3 359.382 2.574 20 5 FFBDHN O=c1[nH]c2ccccc2cc1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866991 508688948 /nfs/dbraw/zinc/68/89/48/508688948.db2.gz QZBYQPNDDNEYND-OAHLLOKOSA-N 0 3 365.393 2.518 20 5 FFBDHN Cn1cc([C@@H](O)C[C@H]2CCCN2CCCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000371454786 512411842 /nfs/dbraw/zinc/41/18/42/512411842.db2.gz BDYRCVCGEJAXLU-MJGOQNOKSA-N 0 3 374.441 2.685 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1 ZINC000137448923 508756152 /nfs/dbraw/zinc/75/61/52/508756152.db2.gz NUKCPRRANSFZRA-GDBMZVCRSA-N 0 3 369.421 2.996 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CN1Cc1ccccc1 ZINC000137495379 508758722 /nfs/dbraw/zinc/75/87/22/508758722.db2.gz MRNWPIYBWQNBGX-HIFRSBDPSA-N 0 3 354.410 2.570 20 5 FFBDHN CCCc1n[nH]c(C(=O)NC[C@H]2CCCCN2CC(C)C)c1[N+](=O)[O-] ZINC000154314462 508759193 /nfs/dbraw/zinc/75/91/93/508759193.db2.gz NTLZNCNLOBYAEV-CYBMUJFWSA-N 0 3 351.451 2.511 20 5 FFBDHN O=C(CCN[C@H](CCO)c1ccccc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129729414 508759217 /nfs/dbraw/zinc/75/92/17/508759217.db2.gz PBSAGKDUEQOJLB-MRXNPFEDSA-N 0 3 361.373 2.776 20 5 FFBDHN CN(C)[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000159132714 508796805 /nfs/dbraw/zinc/79/68/05/508796805.db2.gz JFQMJRUTSDTJGC-SNVBAGLBSA-N 0 3 356.220 2.524 20 5 FFBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2Br)CCN1C ZINC000124338003 508817269 /nfs/dbraw/zinc/81/72/69/508817269.db2.gz AZAPCUJLYPDRHG-MNOVXSKESA-N 0 3 370.247 2.912 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000119677331 508841923 /nfs/dbraw/zinc/84/19/23/508841923.db2.gz UYOOUKDRAJTEKV-KXBFYZLASA-N 0 3 369.421 2.610 20 5 FFBDHN Cn1cc(N2CC[C@H](NCc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2)cn1 ZINC000377728583 512422182 /nfs/dbraw/zinc/42/21/82/512422182.db2.gz XLQJXYKOPQTFOV-HNNXBMFYSA-N 0 3 367.409 2.957 20 5 FFBDHN C[C@]1(CNC(=O)c2c(N)cccc2[N+](=O)[O-])CCCN1Cc1ccccc1 ZINC000154829736 508864979 /nfs/dbraw/zinc/86/49/79/508864979.db2.gz UEVCYVVGOYZDLU-HXUWFJFHSA-N 0 3 368.437 2.962 20 5 FFBDHN C[C@@H](N[C@@H](C)C1CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000125468696 508987272 /nfs/dbraw/zinc/98/72/72/508987272.db2.gz LDVXVUCUERZHND-WDEREUQCSA-N 0 3 355.822 2.980 20 5 FFBDHN O=C1CCc2cc([N+](=O)[O-])c(N3CCC[C@H]3CN3CCCCC3)cc2N1 ZINC000160444878 508988208 /nfs/dbraw/zinc/98/82/08/508988208.db2.gz XSKUVEKBQAXPRL-HNNXBMFYSA-N 0 3 358.442 2.934 20 5 FFBDHN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c(OCCN(C)C)c1 ZINC000151387293 509008829 /nfs/dbraw/zinc/00/88/29/509008829.db2.gz LXTNFXWJHRPZFI-UHFFFAOYSA-N 0 3 358.398 2.799 20 5 FFBDHN Cc1c(NC(=O)CCN[C@]2(CO)CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000132424482 509029924 /nfs/dbraw/zinc/02/99/24/509029924.db2.gz ZXWJAXACCBSABT-FQEVSTJZSA-N 0 3 369.421 2.655 20 5 FFBDHN O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](OCCN2CCCCC2)C1 ZINC000151682379 509065550 /nfs/dbraw/zinc/06/55/50/509065550.db2.gz CNPIYNWUBYUUSI-KRWDZBQOSA-N 0 3 362.430 2.704 20 5 FFBDHN COc1cc(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)ccc1[N+](=O)[O-] ZINC000161401986 509111489 /nfs/dbraw/zinc/11/14/89/509111489.db2.gz YPAIYEIBFMKJBN-KRWDZBQOSA-N 0 3 357.410 2.945 20 5 FFBDHN CNC(=O)c1ccc(N(CCN(C)C)Cc2cccs2)c([N+](=O)[O-])c1 ZINC000162275025 509188618 /nfs/dbraw/zinc/18/86/18/509188618.db2.gz LLSOHZGDQRDKCG-UHFFFAOYSA-N 0 3 362.455 2.584 20 5 FFBDHN CN1CC[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000247962266 509201667 /nfs/dbraw/zinc/20/16/67/509201667.db2.gz DATCJQJKDKYAPW-OXJNMPFZSA-N 0 3 369.421 2.925 20 5 FFBDHN CN1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000179115311 509270666 /nfs/dbraw/zinc/27/06/66/509270666.db2.gz IBMBRSMXNJWZTA-ROUUACIJSA-N 0 3 354.410 2.839 20 5 FFBDHN O=C1O[C@@H](CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC12CCC2 ZINC000192048252 509317866 /nfs/dbraw/zinc/31/78/66/509317866.db2.gz RJFVIJSKSUFVLJ-QGZVFWFLSA-N 0 3 360.410 2.924 20 5 FFBDHN COCCCN(CCOC)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000264152773 509353904 /nfs/dbraw/zinc/35/39/04/509353904.db2.gz DECXUBNYTPXLDT-UHFFFAOYSA-N 0 3 363.414 2.777 20 5 FFBDHN C[C@@H](CCN1CCN(C)CC1)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000185867042 509396324 /nfs/dbraw/zinc/39/63/24/509396324.db2.gz ZJKUZQHDPDTWDC-INIZCTEOSA-N 0 3 372.469 2.970 20 5 FFBDHN CC1CCN(c2ccc(C(=O)N3C[C@@H](C)NC[C@@H]3C)cc2[N+](=O)[O-])CC1 ZINC000236669352 509476735 /nfs/dbraw/zinc/47/67/35/509476735.db2.gz ROLGAUVIALQCFH-CABCVRRESA-N 0 3 360.458 2.654 20 5 FFBDHN O=[N+]([O-])c1cccc(CNC[C@@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000192357626 509479876 /nfs/dbraw/zinc/47/98/76/509479876.db2.gz FWPNEMPFRIDJBM-HXUWFJFHSA-N 0 3 355.438 2.976 20 5 FFBDHN O=[N+]([O-])c1ccccc1CNC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000192357653 509480248 /nfs/dbraw/zinc/48/02/48/509480248.db2.gz GMSVPQZUJDRPMX-LJQANCHMSA-N 0 3 355.438 2.976 20 5 FFBDHN C[C@@H]1CN(CCC2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)C[C@@H](C)O1 ZINC000267449247 509490612 /nfs/dbraw/zinc/49/06/12/509490612.db2.gz ZTDNCNGODSTVRS-ZIAGYGMSSA-N 0 3 365.430 2.539 20 5 FFBDHN Cc1ccccc1NC(=O)CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173464066 509618395 /nfs/dbraw/zinc/61/83/95/509618395.db2.gz OVFAWLVXQXVXJX-OAHLLOKOSA-N 0 3 369.425 2.813 20 5 FFBDHN CC(C)C[C@@H]1OCCC[C@@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000186305278 509634187 /nfs/dbraw/zinc/63/41/87/509634187.db2.gz AZVFUDNDGRVGHU-WMZOPIPTSA-N 0 3 361.442 2.667 20 5 FFBDHN C[C@@H]1CN(CCCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000176704173 509649667 /nfs/dbraw/zinc/64/96/67/509649667.db2.gz OCMGRWQQVOUTFJ-BOWTUIMFSA-N 0 3 361.442 2.614 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCCO[C@@H]1CC(C)C ZINC000186339994 509656796 /nfs/dbraw/zinc/65/67/96/509656796.db2.gz VRZJOUOJOFJAIO-WMLDXEAASA-N 0 3 365.430 2.725 20 5 FFBDHN Cc1ccc([C@H](C)NC(=O)NC[C@]2(N(C)C)CCSC2)cc1[N+](=O)[O-] ZINC000267976715 509696872 /nfs/dbraw/zinc/69/68/72/509696872.db2.gz FTQJUYMJLVIGNI-SUMWQHHRSA-N 0 3 366.487 2.701 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000268015670 509718835 /nfs/dbraw/zinc/71/88/35/509718835.db2.gz XMGMMJFPZNKYTL-MRXNPFEDSA-N 0 3 352.460 2.770 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CN1C1CC1 ZINC000268045689 509733728 /nfs/dbraw/zinc/73/37/28/509733728.db2.gz ZKIQKUSCJINTAH-MWLCHTKSSA-N 0 3 368.231 2.712 20 5 FFBDHN C[C@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H](c1ccccc1)N(C)C ZINC000186493537 509737922 /nfs/dbraw/zinc/73/79/22/509737922.db2.gz HNTLQSQNYFOSAQ-KPZWWZAWSA-N 0 3 367.409 2.892 20 5 FFBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268108152 509760026 /nfs/dbraw/zinc/76/00/26/509760026.db2.gz GDBGPBFXHSNRHW-NHYWBVRUSA-N 0 3 354.838 2.730 20 5 FFBDHN C[C@@H]1C[C@H](N(C)C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCN1C ZINC000268186523 509803481 /nfs/dbraw/zinc/80/34/81/509803481.db2.gz WCQPBZVYHTYZJF-DGCLKSJQSA-N 0 3 354.838 2.872 20 5 FFBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000189936254 509838095 /nfs/dbraw/zinc/83/80/95/509838095.db2.gz STSHOZNOURCABY-OAHLLOKOSA-N 0 3 365.474 2.659 20 5 FFBDHN O=C(NC[C@@H]1CCCN1Cc1ccccc1)Nc1ccncc1[N+](=O)[O-] ZINC000183568068 509865467 /nfs/dbraw/zinc/86/54/67/509865467.db2.gz IFQYUPKPIDASPE-HNNXBMFYSA-N 0 3 355.398 2.776 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](c2cc[nH]n2)C1 ZINC000193585222 509978262 /nfs/dbraw/zinc/97/82/62/509978262.db2.gz UJWKSWITMCCXQM-ZDUSSCGKSA-N 0 3 373.413 2.535 20 5 FFBDHN C[C@H](NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000245597412 510028194 /nfs/dbraw/zinc/02/81/94/510028194.db2.gz NOZHCLJBAMDXJM-CWFSZBLJSA-N 0 3 355.438 2.881 20 5 FFBDHN COC(=O)[C@H](O)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000180670681 510046826 /nfs/dbraw/zinc/04/68/26/510046826.db2.gz CBRPZZDSDLFDJL-GOSISDBHSA-N 0 3 374.393 2.601 20 5 FFBDHN CN(C)Cc1cccc(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c1 ZINC000180780408 510105274 /nfs/dbraw/zinc/10/52/74/510105274.db2.gz ZBZZXCWAMCALJR-SFHVURJKSA-N 0 3 368.393 2.788 20 5 FFBDHN C[C@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@@H](c1ccccc1)N(C)C ZINC000187220160 510132485 /nfs/dbraw/zinc/13/24/85/510132485.db2.gz ZDGZOABKHBGRNU-SJCJKPOMSA-N 0 3 371.393 2.745 20 5 FFBDHN CCc1oc2ccccc2c1CN(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174693827 510255526 /nfs/dbraw/zinc/25/55/26/510255526.db2.gz ZJVRHAOEABHOID-AWEZNQCLSA-N 0 3 358.398 2.593 20 5 FFBDHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(C(F)(F)F)cc1 ZINC000174724132 510271891 /nfs/dbraw/zinc/27/18/91/510271891.db2.gz NGXRBFMVAKTIAG-QMTHXVAHSA-N 0 3 358.320 2.522 20 5 FFBDHN CN(Cc1ccccc1)[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])C1CC1 ZINC000187457926 510277735 /nfs/dbraw/zinc/27/77/35/510277735.db2.gz QCQZNXZHKOJSAX-SFHVURJKSA-N 0 3 368.437 2.817 20 5 FFBDHN CN(C)CCN(Cc1ccccc1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181106734 510278144 /nfs/dbraw/zinc/27/81/44/510278144.db2.gz OJVCHJWLKDIEIL-UHFFFAOYSA-N 0 3 371.393 2.528 20 5 FFBDHN CC(C)c1ccc([C@@H](N)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1 ZINC000262536231 510310727 /nfs/dbraw/zinc/31/07/27/510310727.db2.gz BEPRMEYOIHSFSI-HNNXBMFYSA-N 0 3 360.389 2.869 20 5 FFBDHN C[C@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)N(C)Cc1ccccc1 ZINC000181228521 510311495 /nfs/dbraw/zinc/31/14/95/510311495.db2.gz MWEOAZPNIUBPAL-CYBMUJFWSA-N 0 3 371.393 2.574 20 5 FFBDHN O=[N+]([O-])c1ccc(OC2CCN(C[C@H](O)COc3ccccc3)CC2)cc1 ZINC000174802344 510319718 /nfs/dbraw/zinc/31/97/18/510319718.db2.gz OSGHTEAUTRCOQW-KRWDZBQOSA-N 0 3 372.421 2.878 20 5 FFBDHN Cc1cc(NC(=O)CCN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000174802405 510320365 /nfs/dbraw/zinc/32/03/65/510320365.db2.gz MDFZWPMFPMHDSU-UHFFFAOYSA-N 0 3 374.397 2.763 20 5 FFBDHN CC(C)c1n[nH]c(C(=O)NC[C@H]2CCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000269500622 510438052 /nfs/dbraw/zinc/43/80/52/510438052.db2.gz YZNNMEUJDBGTSA-OAHLLOKOSA-N 0 3 371.441 2.836 20 5 FFBDHN Nc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000178146416 510457085 /nfs/dbraw/zinc/45/70/85/510457085.db2.gz NJUUJGJPMWFCAN-UHFFFAOYSA-N 0 3 354.410 2.571 20 5 FFBDHN Cn1cccc1[C@@H]1CCCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000175116217 510489475 /nfs/dbraw/zinc/48/94/75/510489475.db2.gz DDDWLHPUNDTHLB-LPHOPBHVSA-N 0 3 359.426 2.900 20 5 FFBDHN C[C@H](CCN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000184828260 510535134 /nfs/dbraw/zinc/53/51/34/510535134.db2.gz SNWIGLQBPDTSIX-GFCCVEGCSA-N 0 3 358.389 2.634 20 5 FFBDHN Cc1ccccc1[C@@H](C)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000178338555 510554183 /nfs/dbraw/zinc/55/41/83/510554183.db2.gz FCULOKTVYKZFKA-CQSZACIVSA-N 0 3 363.439 2.532 20 5 FFBDHN CCC[C@]1(COC)CCCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000194927836 510594652 /nfs/dbraw/zinc/59/46/52/510594652.db2.gz YEONQQICJSZRAO-LJQANCHMSA-N 0 3 361.442 2.765 20 5 FFBDHN CN1CCC(N(Cc2ccccc2)C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000188256802 510671784 /nfs/dbraw/zinc/67/17/84/510671784.db2.gz BRHJQNBCIAXGFV-UHFFFAOYSA-N 0 3 368.437 2.914 20 5 FFBDHN O=[N+]([O-])c1ccc(CN2CCC(CN3CCOCC3)CC2)c(Cl)c1 ZINC000182066592 510737588 /nfs/dbraw/zinc/73/75/88/510737588.db2.gz AWYPXCXPPGAVHT-UHFFFAOYSA-N 0 3 353.850 2.792 20 5 FFBDHN CCN1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000172541811 510781404 /nfs/dbraw/zinc/78/14/04/510781404.db2.gz YZQUDROFSWJNQW-SNVBAGLBSA-N 0 3 356.220 2.571 20 5 FFBDHN CCOC1CC2(C1)CCN(CCOc1ccc(OC)cc1[N+](=O)[O-])C2 ZINC000285490835 510927717 /nfs/dbraw/zinc/92/77/17/510927717.db2.gz MHHDXJSKQXEVHG-UHFFFAOYSA-N 0 3 350.415 2.873 20 5 FFBDHN CS(=O)(=O)C1(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000285584626 510967089 /nfs/dbraw/zinc/96/70/89/510967089.db2.gz HMORTCVYXYCLNO-MRXNPFEDSA-N 0 3 352.456 2.919 20 5 FFBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCc2nn(C)cc21 ZINC000282421201 510969879 /nfs/dbraw/zinc/96/98/79/510969879.db2.gz LTKNAZFOEWYDFV-MLGOLLRUSA-N 0 3 357.414 2.713 20 5 FFBDHN CN(C)CCn1nccc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000294262122 511006447 /nfs/dbraw/zinc/00/64/47/511006447.db2.gz YRATVEICALIPQH-UHFFFAOYSA-N 0 3 371.319 2.624 20 5 FFBDHN Cc1c(NC(=O)CCN2CCC[C@H](c3ccncn3)C2)cccc1[N+](=O)[O-] ZINC000361652378 511074022 /nfs/dbraw/zinc/07/40/22/511074022.db2.gz LRHVKCNGMVBKEC-HNNXBMFYSA-N 0 3 369.425 2.901 20 5 FFBDHN CC(C)N1CCN(C2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)CC1 ZINC000361799797 511096617 /nfs/dbraw/zinc/09/66/17/511096617.db2.gz RUGSLKVIUDUKKT-UHFFFAOYSA-N 0 3 350.438 2.729 20 5 FFBDHN Cn1cc(CN2CCN(C3CCC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000271166330 511104003 /nfs/dbraw/zinc/10/40/03/511104003.db2.gz HJGGNDVDQPUDKH-UHFFFAOYSA-N 0 3 355.442 2.665 20 5 FFBDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000365006291 511202542 /nfs/dbraw/zinc/20/25/42/511202542.db2.gz VTTWMPAVRRAUPO-MRXNPFEDSA-N 0 3 354.410 2.524 20 5 FFBDHN CCOC1(C)CCN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000298281915 511234443 /nfs/dbraw/zinc/23/44/43/511234443.db2.gz OOKWWOPFANLXPL-UHFFFAOYSA-N 0 3 365.430 2.823 20 5 FFBDHN CCN1CC[C@H](N(C)C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000294968325 511238061 /nfs/dbraw/zinc/23/80/61/511238061.db2.gz NBWUTBOXBWTPRN-PBHICJAKSA-N 0 3 361.442 2.746 20 5 FFBDHN CCN1CC[C@H](N(C)C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000294968339 511238392 /nfs/dbraw/zinc/23/83/92/511238392.db2.gz NBWUTBOXBWTPRN-YOEHRIQHSA-N 0 3 361.442 2.746 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000298327322 511246880 /nfs/dbraw/zinc/24/68/80/511246880.db2.gz RELLLHJUVUDSTI-ZBFHGGJFSA-N 0 3 369.368 2.909 20 5 FFBDHN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC000283633465 511442672 /nfs/dbraw/zinc/44/26/72/511442672.db2.gz BSZYJOJHRNSXHY-KRWDZBQOSA-N 0 3 370.457 2.938 20 5 FFBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000280558390 511510961 /nfs/dbraw/zinc/51/09/61/511510961.db2.gz UTOULCANDSLATP-XHDPSFHLSA-N 0 3 369.824 2.873 20 5 FFBDHN C[C@H](NC(=O)CC1(N2CCOCC2)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000295785285 511514784 /nfs/dbraw/zinc/51/47/84/511514784.db2.gz YLIQALSZTCQSJA-HNNXBMFYSA-N 0 3 361.442 2.807 20 5 FFBDHN COc1ccc(CN2CCC(CNc3c([N+](=O)[O-])ncn3C)CC2)cc1 ZINC000299289298 511579600 /nfs/dbraw/zinc/57/96/00/511579600.db2.gz CPVPLBFFJLZJDB-UHFFFAOYSA-N 0 3 359.430 2.661 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](c2ncc[nH]2)C1 ZINC000363582748 511640495 /nfs/dbraw/zinc/64/04/95/511640495.db2.gz KFJDCFBVTZACGN-ZDUSSCGKSA-N 0 3 373.413 2.535 20 5 FFBDHN CN1CCC[C@]2(CCN(c3ncc(Br)cc3[N+](=O)[O-])C2)C1 ZINC000292865942 511751315 /nfs/dbraw/zinc/75/13/15/511751315.db2.gz SQGYAHIJVDYEDZ-AWEZNQCLSA-N 0 3 355.236 2.674 20 5 FFBDHN CC1(C)[C@H](NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H]2CCO[C@@H]21 ZINC000296489506 511764736 /nfs/dbraw/zinc/76/47/36/511764736.db2.gz YTAMZCBXMWCUBY-KMUNFCNLSA-N 0 3 353.806 2.590 20 5 FFBDHN O=C1N[C@H]2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C[C@@H]2CO1 ZINC000281268263 511782130 /nfs/dbraw/zinc/78/21/30/511782130.db2.gz NONJMLLWTTXKGT-DOMZBBRYSA-N 0 3 357.366 2.785 20 5 FFBDHN O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000363871244 511820790 /nfs/dbraw/zinc/82/07/90/511820790.db2.gz AQIFNVZBWZQERG-ZDUSSCGKSA-N 0 3 360.439 2.693 20 5 FFBDHN COc1ccc(OCCN2CCC3(CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000284739175 511846976 /nfs/dbraw/zinc/84/69/76/511846976.db2.gz KPTOYVLSQNYSHJ-UHFFFAOYSA-N 0 3 350.415 2.875 20 5 FFBDHN Cc1cc(N2CCC[C@H](N[C@H](C)c3ccc(N)c([N+](=O)[O-])c3)C2)n(C)n1 ZINC000284926108 511930627 /nfs/dbraw/zinc/93/06/27/511930627.db2.gz DHNYFQAZJXGZNU-HIFRSBDPSA-N 0 3 358.446 2.539 20 5 FFBDHN CS[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1N1CCCC1 ZINC000275146477 512055779 /nfs/dbraw/zinc/05/57/79/512055779.db2.gz XVJASTLLWMEBHM-HOCLYGCPSA-N 0 3 362.455 2.748 20 5 FFBDHN COc1cc(CN[C@@H]2CCC[C@H]2CCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000275229748 512081628 /nfs/dbraw/zinc/08/16/28/512081628.db2.gz JAXZMTSBTCEMCK-WCQYABFASA-N 0 3 374.384 2.888 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCS[C@@H](C)[C@H]1C ZINC000411283469 512562017 /nfs/dbraw/zinc/56/20/17/512562017.db2.gz YWDDEOAGNFFLQC-NEPJUHHUSA-N 0 3 353.444 2.758 20 5 FFBDHN O=C(CCN1CC[C@](CO)(c2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000368262186 512870011 /nfs/dbraw/zinc/87/00/11/512870011.db2.gz WLHONXZMTAIFCH-FQEVSTJZSA-N 0 3 369.421 2.559 20 5 FFBDHN COc1ccc(OCCN2C[C@H](O)C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000411949316 512885628 /nfs/dbraw/zinc/88/56/28/512885628.db2.gz QKBABSOVNRSZHP-WBVHZDCISA-N 0 3 358.394 2.790 20 5 FFBDHN COc1cc(CN2CC[C@H](C3CCOCC3)C2)c([N+](=O)[O-])cc1OC ZINC000370722207 513070047 /nfs/dbraw/zinc/07/00/47/513070047.db2.gz SGHPPXFKXZSJKB-AWEZNQCLSA-N 0 3 350.415 2.861 20 5 FFBDHN CN(C)Cc1ccc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])c(F)c1 ZINC000412557787 513161307 /nfs/dbraw/zinc/16/13/07/513161307.db2.gz JNCACNFYAJGQGT-UHFFFAOYSA-N 0 3 360.389 2.870 20 5 FFBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CCCCN1C1CC1 ZINC000434422802 513320448 /nfs/dbraw/zinc/32/04/48/513320448.db2.gz BTXUNJJPXFDNRU-HNNXBMFYSA-N 0 3 351.834 2.924 20 5 FFBDHN C[C@@]1(c2ccccc2)CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000446724217 513324684 /nfs/dbraw/zinc/32/46/84/513324684.db2.gz YOYRUSUELMFLGY-AZUAARDMSA-N 0 3 356.422 2.998 20 5 FFBDHN O=C(CN[C@H]1Cc2cccc(O)c2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000429319796 513340159 /nfs/dbraw/zinc/34/01/59/513340159.db2.gz VTFHIFSGSYMAAI-NSHDSACASA-N 0 3 361.785 2.649 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)C[C@H]1CCCN1C ZINC000421704667 513377272 /nfs/dbraw/zinc/37/72/72/513377272.db2.gz PJQANXNNQIGJQR-WCQYABFASA-N 0 3 355.822 2.568 20 5 FFBDHN C[C@H]1CCCN(c2ccc(C(=O)N(C)C[C@@H]3CCCN3C)cc2[N+](=O)[O-])C1 ZINC000421706637 513378400 /nfs/dbraw/zinc/37/84/00/513378400.db2.gz VINZUDIPRDGDCW-RDJZCZTQSA-N 0 3 374.485 2.997 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCC(CN3CCOCC3)CC2)c2cccnc21 ZINC000413060623 513415897 /nfs/dbraw/zinc/41/58/97/513415897.db2.gz NQKRHMFNRBJZSA-UHFFFAOYSA-N 0 3 356.426 2.692 20 5 FFBDHN C[C@H](NC(=O)NC[C@@H]1NCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000418234654 513435515 /nfs/dbraw/zinc/43/55/15/513435515.db2.gz QJYHQDJOBPUFFB-UGSOOPFHSA-N 0 3 354.410 2.842 20 5 FFBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@H]1N1CCCC1 ZINC000421806572 513439158 /nfs/dbraw/zinc/43/91/58/513439158.db2.gz ZULYNTNDKZGKRZ-SJORKVTESA-N 0 3 363.483 2.863 20 5 FFBDHN CC(C)(CO)[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000429712568 513448566 /nfs/dbraw/zinc/44/85/66/513448566.db2.gz BZUICODRSDAQQM-HKUYNNGSSA-N 0 3 374.437 2.684 20 5 FFBDHN C[C@@H](c1ccncc1)N1CCC(Nc2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000425227798 513461984 /nfs/dbraw/zinc/46/19/84/513461984.db2.gz BBOJCYDKTWGHRT-ZDUSSCGKSA-N 0 3 369.425 2.726 20 5 FFBDHN CNCc1ccccc1NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000415899801 513468383 /nfs/dbraw/zinc/46/83/83/513468383.db2.gz JYPJTPIFKAODBV-UHFFFAOYSA-N 0 3 369.425 2.668 20 5 FFBDHN O=C(Nc1ccc2c(c1F)CCNC2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000415954501 513498285 /nfs/dbraw/zinc/49/82/85/513498285.db2.gz KJMNEPMWADEMOJ-UHFFFAOYSA-N 0 3 370.384 2.970 20 5 FFBDHN C[C@@H](NC(=O)Nc1ccc2c(c1)CNCCO2)c1cccc([N+](=O)[O-])c1 ZINC000415966932 513505672 /nfs/dbraw/zinc/50/56/72/513505672.db2.gz CLYPMPATGMMROP-GFCCVEGCSA-N 0 3 356.382 2.960 20 5 FFBDHN COc1ccc(COC[C@H](O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000451101806 513522961 /nfs/dbraw/zinc/52/29/61/513522961.db2.gz AGCMDYRRRMHXKA-KBXCAEBGSA-N 0 3 360.410 2.832 20 5 FFBDHN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CCCN2C2CCCCC2)c1 ZINC000435634959 513646056 /nfs/dbraw/zinc/64/60/56/513646056.db2.gz DNENSLWVKRKDIH-INIZCTEOSA-N 0 3 367.471 2.670 20 5 FFBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000451295495 513659162 /nfs/dbraw/zinc/65/91/62/513659162.db2.gz DNSUSYFKQVRWJG-BMGDILEWSA-N 0 3 364.442 2.744 20 5 FFBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000448036420 513662230 /nfs/dbraw/zinc/66/22/30/513662230.db2.gz YAPMBEQFDOXGEE-KRWDZBQOSA-N 0 3 360.458 2.783 20 5 FFBDHN Cc1cc(OCC(=O)NC[C@H](C)N(C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000430537037 513679017 /nfs/dbraw/zinc/67/90/17/513679017.db2.gz KDCWSOJKGAZDRL-INIZCTEOSA-N 0 3 371.437 2.919 20 5 FFBDHN C[C@@H]1CCCN(c2ccc(C(=O)NCC3(N(C)C)CC3)cc2[N+](=O)[O-])C1 ZINC000416288848 513693524 /nfs/dbraw/zinc/69/35/24/513693524.db2.gz ICRGYEAKLXGFLR-CQSZACIVSA-N 0 3 360.458 2.655 20 5 FFBDHN C[C@@]12CN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451360679 513700242 /nfs/dbraw/zinc/70/02/42/513700242.db2.gz FQIBKBPCPQMUSI-RPWFAHAXSA-N 0 3 353.422 2.628 20 5 FFBDHN CO[C@@]1(C)C[C@H](NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000451483448 513777703 /nfs/dbraw/zinc/77/77/03/513777703.db2.gz FCRUNOBTXYMCNJ-BBRMVZONSA-N 0 3 355.822 2.980 20 5 FFBDHN CCOc1ccc(NC(=O)CN[C@@H]2[C@H](C)[C@@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451494861 513787329 /nfs/dbraw/zinc/78/73/29/513787329.db2.gz GWTIVXMGQKMPNS-YMRXKLBXSA-N 0 3 365.430 2.581 20 5 FFBDHN CO[C@@H]1[C@H](C)[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000451504423 513794305 /nfs/dbraw/zinc/79/43/05/513794305.db2.gz SELQYTWTOHZKBM-TURNYIBQSA-N 0 3 355.822 2.836 20 5 FFBDHN CCOC(=O)[C@@H]1CCCC[C@@H]1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000451590966 513852729 /nfs/dbraw/zinc/85/27/29/513852729.db2.gz MNCQOHPTROWUBM-MAZHCROVSA-N 0 3 363.414 2.633 20 5 FFBDHN CC(C)C[C@@H](CN1CCCC1)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000451655510 513893569 /nfs/dbraw/zinc/89/35/69/513893569.db2.gz YGUVYAVNFSXIJO-INIZCTEOSA-N 0 3 369.487 2.525 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCN1C ZINC000431493218 513911487 /nfs/dbraw/zinc/91/14/87/513911487.db2.gz AYTZPEXLFDBALX-CABZTGNLSA-N 0 3 356.220 2.570 20 5 FFBDHN O=C(CCC(=O)N1CCC[C@H](N2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000448931259 513977776 /nfs/dbraw/zinc/97/77/76/513977776.db2.gz BJLCKHSYJZJXRB-KRWDZBQOSA-N 0 3 359.426 2.645 20 5 FFBDHN CCCCN1CCC(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000448946452 513985903 /nfs/dbraw/zinc/98/59/03/513985903.db2.gz NXGWOLKOOBQNPU-UHFFFAOYSA-N 0 3 361.442 2.938 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2csc(N3CCN(C[C@H]4CCOC4)CC3)n2)cc1 ZINC000448979505 514005054 /nfs/dbraw/zinc/00/50/54/514005054.db2.gz IUJLOIUGQMDCHW-CQSZACIVSA-N 0 3 374.466 2.877 20 5 FFBDHN COC(=O)C1CCN(CCCNc2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432155065 514109573 /nfs/dbraw/zinc/10/95/73/514109573.db2.gz QWTVLSNRDARQSO-UHFFFAOYSA-N 0 3 372.425 2.830 20 5 FFBDHN Cc1cc(CN(C)C)ccc1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000414456051 514127763 /nfs/dbraw/zinc/12/77/63/514127763.db2.gz GMMXQSJIXWHUJP-UHFFFAOYSA-N 0 3 363.439 2.907 20 5 FFBDHN COCc1nc2n(n1)C[C@H](N[C@H]1CCCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000417313439 514288531 /nfs/dbraw/zinc/28/85/31/514288531.db2.gz VZJDMBHSIUVPFX-PBHICJAKSA-N 0 3 371.441 2.705 20 5 FFBDHN COC(=O)[C@@H]1CN(Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1c1ccccc1 ZINC000449752404 514335747 /nfs/dbraw/zinc/33/57/47/514335747.db2.gz FLCCBPCRBFGKJY-IAGOWNOFSA-N 0 3 370.405 2.992 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000432983613 514342282 /nfs/dbraw/zinc/34/22/82/514342282.db2.gz KBAZXPWJRFDEJX-CQSZACIVSA-N 0 3 350.419 2.526 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCO[C@H](c2nccn2C)C1 ZINC000449779147 514349605 /nfs/dbraw/zinc/34/96/05/514349605.db2.gz XMIXWSREEMWQEU-YOEHRIQHSA-N 0 3 360.414 2.737 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)c1 ZINC000424033000 514350463 /nfs/dbraw/zinc/35/04/63/514350463.db2.gz WXQCWZJDDSJXLZ-DOTOQJQBSA-N 0 3 373.384 2.700 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H](CC(F)(F)F)C1 ZINC000420948799 514397502 /nfs/dbraw/zinc/39/75/02/514397502.db2.gz OFFBVIJLQQBHDI-CHWSQXEVSA-N 0 3 362.348 2.999 20 5 FFBDHN CCN1CCN(C[C@H](C)CNc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450262391 514570801 /nfs/dbraw/zinc/57/08/01/514570801.db2.gz MYTWWYJPKABOGK-OAHLLOKOSA-N 0 3 357.458 2.829 20 5 FFBDHN C[C@@H](NCCn1cc(Br)ccc1=O)c1ccc([N+](=O)[O-])cc1 ZINC000453241625 514575619 /nfs/dbraw/zinc/57/56/19/514575619.db2.gz DPVPNRAVYBHJEU-LLVKDONJSA-N 0 3 366.215 2.870 20 5 FFBDHN CCN(CC)[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])nc1C)c1ccccc1 ZINC000497693932 514599498 /nfs/dbraw/zinc/59/94/98/514599498.db2.gz NBKYIBPLPRWJLT-KRWDZBQOSA-N 0 3 373.457 2.689 20 5 FFBDHN COc1ccc(-c2ccc(CNC[C@]3(OC)CCOC3)o2)c([N+](=O)[O-])c1 ZINC000461428801 514613158 /nfs/dbraw/zinc/61/31/58/514613158.db2.gz NGAGMTCRHXAVSS-GOSISDBHSA-N 0 3 362.382 2.759 20 5 FFBDHN COc1cc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000475322091 514618961 /nfs/dbraw/zinc/61/89/61/514618961.db2.gz ZLPGCZZRRRIZPX-KRWDZBQOSA-N 0 3 369.421 2.950 20 5 FFBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000479567302 514633809 /nfs/dbraw/zinc/63/38/09/514633809.db2.gz UWAMSVOZCSNKEZ-AWEZNQCLSA-N 0 3 371.441 2.583 20 5 FFBDHN COC(=O)COc1ccc(CN(C)CCc2ccccc2)cc1[N+](=O)[O-] ZINC000475567493 514717221 /nfs/dbraw/zinc/71/72/21/514717221.db2.gz RUPJVAXXZGYEJN-UHFFFAOYSA-N 0 3 358.394 2.821 20 5 FFBDHN CCCCN1CCCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000502711010 514749389 /nfs/dbraw/zinc/74/93/89/514749389.db2.gz GVMVDPQYRQVQNA-INIZCTEOSA-N 0 3 369.487 2.836 20 5 FFBDHN Cc1c(CNC(=O)N(CCN(C)C)Cc2ccccn2)cccc1[N+](=O)[O-] ZINC000480067751 514831157 /nfs/dbraw/zinc/83/11/57/514831157.db2.gz NDSSXHOQZPYJRF-UHFFFAOYSA-N 0 3 371.441 2.572 20 5 FFBDHN C[C@H]1C[C@H]1N1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000489416116 514836519 /nfs/dbraw/zinc/83/65/19/514836519.db2.gz YYMHWPAUFUCVHA-RLFYNMQTSA-N 0 3 360.458 2.509 20 5 FFBDHN O=C(CCN1CCc2ccccc2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000471413384 514875424 /nfs/dbraw/zinc/87/54/24/514875424.db2.gz XXXCQYISTUZLSB-UHFFFAOYSA-N 0 3 351.406 2.932 20 5 FFBDHN CCN(CC)CCSc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000462114428 514890165 /nfs/dbraw/zinc/89/01/65/514890165.db2.gz WFMLWLQOTDSGLF-UHFFFAOYSA-N 0 3 362.455 2.993 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000462160208 514917409 /nfs/dbraw/zinc/91/74/09/514917409.db2.gz UPJYDKACXWLFAS-AUUYWEPGSA-N 0 3 371.412 2.913 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000462160210 514917954 /nfs/dbraw/zinc/91/79/54/514917954.db2.gz UPJYDKACXWLFAS-IFXJQAMLSA-N 0 3 371.412 2.913 20 5 FFBDHN CN(C)C(=O)[C@H]1CCCN1CCCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000471541107 514923846 /nfs/dbraw/zinc/92/38/46/514923846.db2.gz WGYHZSCFNVJYJW-CQSZACIVSA-N 0 3 354.838 2.603 20 5 FFBDHN CN1CC[C@@H]2CN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000456160374 514990865 /nfs/dbraw/zinc/99/08/65/514990865.db2.gz GNVVNJPZYNFYKI-MFKMUULPSA-N 0 3 355.847 2.503 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000467710926 515088887 /nfs/dbraw/zinc/08/88/87/515088887.db2.gz OUFNTROXSZXOKS-XPTSAGLGSA-N 0 3 368.231 2.570 20 5 FFBDHN COc1cnccc1N1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000481043608 515183681 /nfs/dbraw/zinc/18/36/81/515183681.db2.gz VPPCMCAKVBKGFQ-UHFFFAOYSA-N 0 3 365.393 2.873 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CCN(C(C)C)C(C)C ZINC000503978942 515186913 /nfs/dbraw/zinc/18/69/13/515186913.db2.gz SEZSYURIEAYTTO-UHFFFAOYSA-N 0 3 371.503 2.897 20 5 FFBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(CN(C)C)cc1 ZINC000468185733 515254165 /nfs/dbraw/zinc/25/41/65/515254165.db2.gz HITWNVNJRIISLX-HNNXBMFYSA-N 0 3 374.445 2.528 20 5 FFBDHN Cc1ccc(S(=O)(=O)NCC(C)(C)N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000509793313 515325558 /nfs/dbraw/zinc/32/55/58/515325558.db2.gz HTXYOWCEJMTAPE-AWEZNQCLSA-N 0 3 369.487 2.692 20 5 FFBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000468456738 515366567 /nfs/dbraw/zinc/36/65/67/515366567.db2.gz IONUGPFPMVSVHU-KRWDZBQOSA-N 0 3 358.442 2.786 20 5 FFBDHN O=C(Cc1ccccc1)N1CCC[C@@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000509960242 515383296 /nfs/dbraw/zinc/38/32/96/515383296.db2.gz UMPPIEZMOCNWRS-GOSISDBHSA-N 0 3 353.422 2.918 20 5 FFBDHN CC[C@@H]1CCCCN1CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000499713065 515422474 /nfs/dbraw/zinc/42/24/74/515422474.db2.gz NFAFDRQMNGXHMR-OAHLLOKOSA-N 0 3 371.441 2.775 20 5 FFBDHN CC(C)O[C@@H]1C[C@@H](N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1(C)C ZINC000463401864 515478410 /nfs/dbraw/zinc/47/84/10/515478410.db2.gz BUSDEFQYHFMRSQ-BRWVUGGUSA-N 0 3 361.442 2.882 20 5 FFBDHN CCC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OCC)c2)CCN1CCOC ZINC000492718728 515557724 /nfs/dbraw/zinc/55/77/24/515557724.db2.gz BMTRCONAQVWMHJ-QGZVFWFLSA-N 0 3 365.474 2.926 20 5 FFBDHN C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[C@@H](c1ccccc1)N(C)C ZINC000505604931 515607345 /nfs/dbraw/zinc/60/73/45/515607345.db2.gz GOJNJDBVDWWGMY-GTNSWQLSSA-N 0 3 360.389 2.737 20 5 FFBDHN C[C@@H]1CCCN(c2ccc(C(=O)N(CCN(C)C)C3CC3)cc2[N+](=O)[O-])C1 ZINC000505635668 515618116 /nfs/dbraw/zinc/61/81/16/515618116.db2.gz OXSYKDOCTAUOKZ-OAHLLOKOSA-N 0 3 374.485 2.997 20 5 FFBDHN CC(C)N1CC[C@@H](N(C)C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000457102725 515649830 /nfs/dbraw/zinc/64/98/30/515649830.db2.gz AHPCYGKCXZDWTM-CQSZACIVSA-N 0 3 369.849 2.958 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC3(CCCC3)[C@@H]2c2ccccc2)c1 ZINC000459568213 515656398 /nfs/dbraw/zinc/65/63/98/515656398.db2.gz BDYUYHIEOBTUQP-ROUUACIJSA-N 0 3 356.426 2.770 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC3(CCCC3)[C@H]2c2ccccc2)c1 ZINC000459568210 515657662 /nfs/dbraw/zinc/65/76/62/515657662.db2.gz BDYUYHIEOBTUQP-QZTJIDSGSA-N 0 3 356.426 2.770 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454677846 515659348 /nfs/dbraw/zinc/65/93/48/515659348.db2.gz GSYVBMYKEZTMAD-SIXWZSSISA-N 0 3 372.469 2.967 20 5 FFBDHN CCN1CCCC[C@@H]1CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000486994090 515711757 /nfs/dbraw/zinc/71/17/57/515711757.db2.gz FLFRIKZZMVIBDA-OAHLLOKOSA-N 0 3 368.865 2.964 20 5 FFBDHN CCN1CCCC[C@H]1CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000486994089 515711843 /nfs/dbraw/zinc/71/18/43/515711843.db2.gz FLFRIKZZMVIBDA-HNNXBMFYSA-N 0 3 368.865 2.964 20 5 FFBDHN CN(C)CCN(Cc1ccccn1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000500739919 515836164 /nfs/dbraw/zinc/83/61/64/515836164.db2.gz XADANHJPHQRQFP-UHFFFAOYSA-N 0 3 374.466 2.672 20 5 FFBDHN CCN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000500900119 515900100 /nfs/dbraw/zinc/90/01/00/515900100.db2.gz HYWGBDIMDWKDJE-ZBFHGGJFSA-N 0 3 371.441 2.626 20 5 FFBDHN Cc1ccsc1[C@@H](CO)NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000494622744 515900931 /nfs/dbraw/zinc/90/09/31/515900931.db2.gz BPVYVIOWTCJFLC-OAHLLOKOSA-N 0 3 363.439 2.925 20 5 FFBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CCN1CCCC1 ZINC000487554989 515903083 /nfs/dbraw/zinc/90/30/83/515903083.db2.gz GRRHPRKDDNACBV-GFCCVEGCSA-N 0 3 355.822 2.570 20 5 FFBDHN COC(=O)COc1ccc(CNCC2(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000474361472 516011464 /nfs/dbraw/zinc/01/14/64/516011464.db2.gz DHOKEGMWZQODMH-UHFFFAOYSA-N 0 3 370.405 2.968 20 5 FFBDHN COCCN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[C@@H]1C ZINC000487959909 516053257 /nfs/dbraw/zinc/05/32/57/516053257.db2.gz SJHNMFFPFCZGFS-WMLDXEAASA-N 0 3 361.442 2.621 20 5 FFBDHN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000460203429 516067269 /nfs/dbraw/zinc/06/72/69/516067269.db2.gz IZLRHPQMCCAQAQ-MRXNPFEDSA-N 0 3 356.430 2.546 20 5 FFBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000488028080 516085387 /nfs/dbraw/zinc/08/53/87/516085387.db2.gz SGOHGLFXGBDLPN-MPGHIAIKSA-N 0 3 360.458 2.509 20 5 FFBDHN C[C@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000501540230 516146787 /nfs/dbraw/zinc/14/67/87/516146787.db2.gz YVLAJYWKCWZAKZ-LSDHHAIUSA-N 0 3 363.462 2.569 20 5 FFBDHN O=C(CCN(CCO)Cc1cccc(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000501875981 516252637 /nfs/dbraw/zinc/25/26/37/516252637.db2.gz LKUWUTUHRKPHLG-UHFFFAOYSA-N 0 3 361.373 2.557 20 5 FFBDHN CCCN(CCN(CC)CC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000460912008 516282514 /nfs/dbraw/zinc/28/25/14/516282514.db2.gz VTYGWXVCUBUVSW-UHFFFAOYSA-N 0 3 357.476 2.646 20 5 FFBDHN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])n2C)ccc1OCCN1CCCC1 ZINC000522904509 516347745 /nfs/dbraw/zinc/34/77/45/516347745.db2.gz YYFDIFKCRKQZEG-UHFFFAOYSA-N 0 3 372.425 2.969 20 5 FFBDHN CCCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000557743911 516416172 /nfs/dbraw/zinc/41/61/72/516416172.db2.gz RXEFDQGMBSYODP-LBPRGKRZSA-N 0 3 357.357 2.800 20 5 FFBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@@H](N1CCOCC1)C(F)(F)F ZINC000512972587 516430199 /nfs/dbraw/zinc/43/01/99/516430199.db2.gz UYXRNUPBQJCTHF-LRFDDAOPSA-N 0 3 373.375 2.851 20 5 FFBDHN CN(C)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])cn2C)cc1Cl ZINC000523968243 516619755 /nfs/dbraw/zinc/61/97/55/516619755.db2.gz HEMYBSAJJRKPEG-UHFFFAOYSA-N 0 3 366.805 2.779 20 5 FFBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000518596614 516717304 /nfs/dbraw/zinc/71/73/04/516717304.db2.gz GRNLUWOADMWEGW-GJZGRUSLSA-N 0 3 371.441 2.773 20 5 FFBDHN Cc1c(Br)c(N(C)[C@@H]2CCN(C)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000544392827 516739738 /nfs/dbraw/zinc/73/97/38/516739738.db2.gz BFBMFHMWOUIOFE-GXSJLCMTSA-N 0 3 357.252 2.980 20 5 FFBDHN COc1ccc([C@H](CN(C)C)NC(=O)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000551536892 516748879 /nfs/dbraw/zinc/74/88/79/516748879.db2.gz JXXSZCBSPZDNMY-IBGZPJMESA-N 0 3 371.437 2.955 20 5 FFBDHN CNc1ccc(C(=O)N(CCN(C)C)Cc2cccc(O)c2)cc1[N+](=O)[O-] ZINC000536439091 516766511 /nfs/dbraw/zinc/76/65/11/516766511.db2.gz SJEIHRDWFWXLKS-UHFFFAOYSA-N 0 3 372.425 2.546 20 5 FFBDHN C[C@H](CCC(F)(F)F)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544573882 516819663 /nfs/dbraw/zinc/81/96/63/516819663.db2.gz AIBOQKZODVITSQ-SNVBAGLBSA-N 0 3 354.350 2.689 20 5 FFBDHN C[C@H](NCCCN1C(=O)NC2(CCCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000532455113 516985000 /nfs/dbraw/zinc/98/50/00/516985000.db2.gz LGALZYKHRCSWCY-ZDUSSCGKSA-N 0 3 360.414 2.500 20 5 FFBDHN O=[N+]([O-])c1cnc2ccc(Br)cc2c1NCCN1CCCC1 ZINC000536985896 516996955 /nfs/dbraw/zinc/99/69/55/516996955.db2.gz AABNHSWAYROGRE-UHFFFAOYSA-N 0 3 365.231 2.835 20 5 FFBDHN CN(C)C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000552027723 517037635 /nfs/dbraw/zinc/03/76/35/517037635.db2.gz XXDPTWBNSNGMQW-ZDUSSCGKSA-N 0 3 362.817 2.718 20 5 FFBDHN O=C(CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccccc1 ZINC000532707326 517105642 /nfs/dbraw/zinc/10/56/42/517105642.db2.gz WIYPWRLWRZBVQW-OAHLLOKOSA-N 0 3 355.398 2.505 20 5 FFBDHN CC[C@@H](C)N[C@@H](CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])c1ccco1 ZINC000519658800 517109774 /nfs/dbraw/zinc/10/97/74/517109774.db2.gz DIDWMDOCUKNRBA-NEPJUHHUSA-N 0 3 363.418 2.894 20 5 FFBDHN C[C@H]1CCCN(CCN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000552254474 517164226 /nfs/dbraw/zinc/16/42/26/517164226.db2.gz GHSOOFHKVVSOIX-YJBOKZPZSA-N 0 3 357.458 2.739 20 5 FFBDHN CCc1cccc(OC[C@@H](O)CNCc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000555911501 517179522 /nfs/dbraw/zinc/17/95/22/517179522.db2.gz FBEGNWXMWUCWRS-INIZCTEOSA-N 0 3 360.410 2.695 20 5 FFBDHN COc1ccc(CNC[C@@H](O)COc2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000555911774 517179961 /nfs/dbraw/zinc/17/99/61/517179961.db2.gz NXAWXBDHOZINTP-MRXNPFEDSA-N 0 3 360.410 2.750 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CCC(OCCN(C)C)CC1 ZINC000537630084 517267660 /nfs/dbraw/zinc/26/76/60/517267660.db2.gz LGCPEDMBTFYCMN-UHFFFAOYSA-N 0 3 351.447 2.536 20 5 FFBDHN O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000520093102 517272398 /nfs/dbraw/zinc/27/23/98/517272398.db2.gz HBHXLNIIDITDDJ-KRWDZBQOSA-N 0 3 368.437 2.788 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)n1 ZINC000541935030 517299775 /nfs/dbraw/zinc/29/97/75/517299775.db2.gz HKEODWNFEOMPIZ-QZTJIDSGSA-N 0 3 370.453 2.902 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)n1 ZINC000541935058 517300123 /nfs/dbraw/zinc/30/01/23/517300123.db2.gz BPAXRBXKUCJQLU-IRXDYDNUSA-N 0 3 356.426 2.654 20 5 FFBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000548934232 517312323 /nfs/dbraw/zinc/31/23/23/517312323.db2.gz XFPXIEAISVUTKJ-QGZVFWFLSA-N 0 3 369.421 2.990 20 5 FFBDHN CCC(CC)[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C)N(C)C ZINC000526328173 517369104 /nfs/dbraw/zinc/36/91/04/517369104.db2.gz IPFYPURFTFRUML-HNNXBMFYSA-N 0 3 357.476 2.548 20 5 FFBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+][C@@H]1CCCC12CCCC2 ZINC000559789122 517426412 /nfs/dbraw/zinc/42/64/12/517426412.db2.gz XWAXOEGFBBFMAY-MRXNPFEDSA-N 0 3 367.471 2.576 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCCOC2CCCCCC2)c1 ZINC000562996355 517569084 /nfs/dbraw/zinc/56/90/84/517569084.db2.gz PIARPCZWCGSMMM-INIZCTEOSA-N 0 3 352.431 2.664 20 5 FFBDHN COc1cc(CNCC[C@H]2CCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000542482400 517587645 /nfs/dbraw/zinc/58/76/45/517587645.db2.gz NJMKOVKWMGLHSM-NSHDSACASA-N 0 3 360.357 2.764 20 5 FFBDHN CN1CCC[C@H](CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000556740398 517620060 /nfs/dbraw/zinc/62/00/60/517620060.db2.gz WXHKFOYOMDOGLK-SNVBAGLBSA-N 0 3 371.235 2.821 20 5 FFBDHN Cc1cnc([C@@H](C)CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000521228597 517659362 /nfs/dbraw/zinc/65/93/62/517659362.db2.gz FMDDFQSFLDZRCY-NSHDSACASA-N 0 3 369.468 2.527 20 5 FFBDHN CCCN(CCN1CCCC1)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000553398685 517689090 /nfs/dbraw/zinc/68/90/90/517689090.db2.gz LIKDWRNNDWLWJX-UHFFFAOYSA-N 0 3 371.441 2.729 20 5 FFBDHN CC1=CCN(CCNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000546589419 517742030 /nfs/dbraw/zinc/74/20/30/517742030.db2.gz SDBHZINZBGZWRY-UHFFFAOYSA-N 0 3 367.833 2.785 20 5 FFBDHN CCN(CCN1CCCCCC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000553575100 517792519 /nfs/dbraw/zinc/79/25/19/517792519.db2.gz FSDICBZDVLHJAW-UHFFFAOYSA-N 0 3 369.487 2.623 20 5 FFBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000516826134 517858915 /nfs/dbraw/zinc/85/89/15/517858915.db2.gz OROYAWHIIAEYGA-FZKQIMNGSA-N 0 3 373.457 2.600 20 5 FFBDHN CCC[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000539422492 518040650 /nfs/dbraw/zinc/04/06/50/518040650.db2.gz PZDYQEXFMHQXCC-GOSISDBHSA-N 0 3 357.458 2.778 20 5 FFBDHN O=C1C[C@@]2(CN1)CCCN(Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000539821196 518169008 /nfs/dbraw/zinc/16/90/08/518169008.db2.gz MXMMNNVEKKKTTH-LJQANCHMSA-N 0 3 355.394 2.957 20 5 FFBDHN CCOC[C@H](C)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000566827248 518219827 /nfs/dbraw/zinc/21/98/27/518219827.db2.gz ZZDWYHCCWOZNDF-VIFPVBQESA-N 0 3 364.183 2.714 20 5 FFBDHN CSC1(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCN(C)CC1 ZINC000584383718 518310961 /nfs/dbraw/zinc/31/09/61/518310961.db2.gz NEPKZOTZIFJKAX-UHFFFAOYSA-N 0 3 365.499 2.816 20 5 FFBDHN COCC(C)(C)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000564384402 518426651 /nfs/dbraw/zinc/42/66/51/518426651.db2.gz PDQBTBXFSKMXFA-UHFFFAOYSA-N 0 3 364.183 2.714 20 5 FFBDHN C[C@@H](C(=O)NCc1ccccc1OCCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000567297527 518452253 /nfs/dbraw/zinc/45/22/53/518452253.db2.gz WCDGLGBMDBSPDO-OAHLLOKOSA-N 0 3 371.437 2.955 20 5 FFBDHN CCN(C[C@H]1CCCN1CC)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000576311167 518529808 /nfs/dbraw/zinc/52/98/08/518529808.db2.gz UXNGGODZYUERSZ-QGZVFWFLSA-N 0 3 361.442 2.891 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(SC)CCN(C)CC1 ZINC000576553499 518647876 /nfs/dbraw/zinc/64/78/76/518647876.db2.gz UZXLOFRLHWTAEB-UHFFFAOYSA-N 0 3 368.459 2.552 20 5 FFBDHN CC(C)N1CCCC[C@H]1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000576558066 518649693 /nfs/dbraw/zinc/64/96/93/518649693.db2.gz VVLCYMOWIPUJFL-SFHVURJKSA-N 0 3 358.442 2.998 20 5 FFBDHN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CN1C1CC1 ZINC000582311531 518692830 /nfs/dbraw/zinc/69/28/30/518692830.db2.gz PCEAFIZSXZNNDI-QWHCGFSZSA-N 0 3 364.421 2.608 20 5 FFBDHN C[C@@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCC1(F)F ZINC000582329515 518698366 /nfs/dbraw/zinc/69/83/66/518698366.db2.gz VIVALWDXEGVTEJ-LLVKDONJSA-N 0 3 355.341 2.870 20 5 FFBDHN N[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1c1ccccc1 ZINC000564986622 518729991 /nfs/dbraw/zinc/72/99/91/518729991.db2.gz AYCLHFDNHJLUPW-GOEBONIOSA-N 0 3 374.828 2.613 20 5 FFBDHN CC1CCC(N2CCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)CC2)CC1 ZINC000582425837 518747688 /nfs/dbraw/zinc/74/76/88/518747688.db2.gz QGTBTQUMEZWEBR-UHFFFAOYSA-N 0 3 371.441 2.944 20 5 FFBDHN CCn1nccc1N1CCC[C@H](NC/C=C\c2ccccc2[N+](=O)[O-])C1=O ZINC000588582249 518789154 /nfs/dbraw/zinc/78/91/54/518789154.db2.gz BVJDGHQORYLKNZ-SBSDFTTDSA-N 0 3 369.425 2.610 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](N)Cc3ccccc32)cc1SC ZINC000573834327 518857374 /nfs/dbraw/zinc/85/73/74/518857374.db2.gz YVSKMRNQTUIXEH-LBPRGKRZSA-N 0 3 373.434 2.856 20 5 FFBDHN CCOc1cc(CN(CCN(C)C)Cc2ccccn2)ccc1[N+](=O)[O-] ZINC000565370647 518921348 /nfs/dbraw/zinc/92/13/48/518921348.db2.gz IGVZRQLVDLUCQN-UHFFFAOYSA-N 0 3 358.442 2.952 20 5 FFBDHN CN(CC1CCN(C)CC1)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000589678804 519061960 /nfs/dbraw/zinc/06/19/60/519061960.db2.gz UXHMDCDMDHFMLZ-UHFFFAOYSA-N 0 3 373.457 2.602 20 5 FFBDHN C[C@@H]1CN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000568582043 519109619 /nfs/dbraw/zinc/10/96/19/519109619.db2.gz VAWWGDBTBJMJIS-LBPRGKRZSA-N 0 3 357.414 2.554 20 5 FFBDHN CN1CCC[C@]2(CCN(c3c(Br)cncc3[N+](=O)[O-])C2)C1 ZINC000590141901 519160317 /nfs/dbraw/zinc/16/03/17/519160317.db2.gz HLTHUOCHUXTVGM-AWEZNQCLSA-N 0 3 355.236 2.674 20 5 FFBDHN O=C(CCNCc1cccc2c1OCCCO2)Nc1ccccc1[N+](=O)[O-] ZINC000566117291 519313850 /nfs/dbraw/zinc/31/38/50/519313850.db2.gz UDTLSNRDUHZVGX-UHFFFAOYSA-N 0 3 371.393 2.875 20 5 FFBDHN CCN1CCC[C@@H]1CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590926382 519438168 /nfs/dbraw/zinc/43/81/68/519438168.db2.gz OGIPBPXYRCMRHV-FUHWJXTLSA-N 0 3 360.458 2.968 20 5 FFBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@H](c2ccncc2)C1 ZINC000581141061 519544201 /nfs/dbraw/zinc/54/42/01/519544201.db2.gz UPHDIIGMYOWNSR-HNNXBMFYSA-N 0 3 368.393 2.777 20 5 FFBDHN CN1CCN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1Cc1ccccc1 ZINC000566564338 519554064 /nfs/dbraw/zinc/55/40/64/519554064.db2.gz OPFOFJRQQRLBIO-IBGZPJMESA-N 0 3 355.438 2.832 20 5 FFBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000597605701 520132733 /nfs/dbraw/zinc/13/27/33/520132733.db2.gz SAGQLQMGLWTENS-GFCCVEGCSA-N 0 3 357.357 2.753 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H]2CCN(C(C)(C)C)C2)c1C ZINC000594793071 520159291 /nfs/dbraw/zinc/15/92/91/520159291.db2.gz UETZBILHRXJKET-CQSZACIVSA-N 0 3 369.487 2.610 20 5 FFBDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C2 ZINC000597711917 520192239 /nfs/dbraw/zinc/19/22/39/520192239.db2.gz XMOFMDGRZANGEL-QGZVFWFLSA-N 0 3 369.368 2.754 20 5 FFBDHN O=[N+]([O-])c1ccccc1CN(CCOCC(F)F)[C@H]1CC[C@H](O)CC1 ZINC000592132967 520207618 /nfs/dbraw/zinc/20/76/18/520207618.db2.gz QHBWODUEUSQNMY-SHTZXODSSA-N 0 3 358.385 2.982 20 5 FFBDHN CS(=O)(=O)C1(CNC/C=C/c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000594974774 520235968 /nfs/dbraw/zinc/23/59/68/520235968.db2.gz IOBBBRYTEYSQKW-VQHVLOKHSA-N 0 3 352.456 2.945 20 5 FFBDHN Cn1cc(C[C@H]2CCC[C@@H]2NCc2cc([N+](=O)[O-])cc3c2OCOC3)cn1 ZINC000594980808 520242853 /nfs/dbraw/zinc/24/28/53/520242853.db2.gz SPMHYOQFFDBBOR-KDOFPFPSSA-N 0 3 372.425 2.696 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C(C)C)C1(CO)CC=CC1 ZINC000592178076 520247010 /nfs/dbraw/zinc/24/70/10/520247010.db2.gz OPLJCGXMRXSQAP-SFHVURJKSA-N 0 3 361.442 2.785 20 5 FFBDHN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NC[C@H]1CSCCN1 ZINC000603418558 520256618 /nfs/dbraw/zinc/25/66/18/520256618.db2.gz GBCXFAFBYRGIFY-ZETCQYMHSA-N 0 3 372.319 2.761 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC1CCC(CS(C)(=O)=O)CC1 ZINC000595042119 520267103 /nfs/dbraw/zinc/26/71/03/520267103.db2.gz PEBKIMLARRHZQD-IYXRBSQSSA-N 0 3 370.471 2.857 20 5 FFBDHN Cn1ccnc1[C@@H](N[C@@H]1CCN(C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595056353 520272312 /nfs/dbraw/zinc/27/23/12/520272312.db2.gz FOPMTLYOKMYXIM-WBVHZDCISA-N 0 3 357.458 2.880 20 5 FFBDHN CCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCN(C)C1 ZINC000597944999 520344070 /nfs/dbraw/zinc/34/40/70/520344070.db2.gz GETLWDZNSRNFKO-LLVKDONJSA-N 0 3 356.220 2.524 20 5 FFBDHN Cc1cc(C(=O)N2CC[C@H](c3cccc(F)c3)[C@H](N)C2)ccc1[N+](=O)[O-] ZINC000595224334 520358335 /nfs/dbraw/zinc/35/83/35/520358335.db2.gz DBSXFEQCVYPAPM-IAGOWNOFSA-N 0 3 357.385 2.999 20 5 FFBDHN Cc1c(CN2CCC(C(=O)NCC(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000603841075 520374732 /nfs/dbraw/zinc/37/47/32/520374732.db2.gz VXLKFSYTOHHGSH-UHFFFAOYSA-N 0 3 359.348 2.794 20 5 FFBDHN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc([C@H]2CNCCO2)cc1 ZINC000595256574 520375233 /nfs/dbraw/zinc/37/52/33/520375233.db2.gz CRCUDZLNKLOUQG-GOSISDBHSA-N 0 3 370.409 2.696 20 5 FFBDHN N[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC[C@H]1F ZINC000595260732 520376878 /nfs/dbraw/zinc/37/68/78/520376878.db2.gz KLJIZKJCBFTQCE-HZPDHXFCSA-N 0 3 359.357 2.898 20 5 FFBDHN O=C(NCC1CCN(Cc2ccncc2)CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000598062956 520406807 /nfs/dbraw/zinc/40/68/07/520406807.db2.gz YERUYVBXFPZDPX-UHFFFAOYSA-N 0 3 372.400 2.771 20 5 FFBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000603929292 520407108 /nfs/dbraw/zinc/40/71/08/520407108.db2.gz JAVSISHMAUACRI-OAHLLOKOSA-N 0 3 354.410 2.641 20 5 FFBDHN C[C@@H](c1ccccc1)[C@H](CO)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000609708081 520410830 /nfs/dbraw/zinc/41/08/30/520410830.db2.gz CIYDBIJSENUXIE-UGSOOPFHSA-N 0 3 358.394 2.716 20 5 FFBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCCN1C[C@H](C)C[C@@H](C)C1 ZINC000603983594 520423140 /nfs/dbraw/zinc/42/31/40/520423140.db2.gz ZJULWDFLJVDNPK-ZIAGYGMSSA-N 0 3 369.487 2.550 20 5 FFBDHN C[C@@]1(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])COc2ccccc2O1 ZINC000600744432 520440649 /nfs/dbraw/zinc/44/06/49/520440649.db2.gz FRBWOMIMCDHLKK-LJQANCHMSA-N 0 3 371.393 2.743 20 5 FFBDHN CC(C)N1CCN(C2CCN(Cc3ccc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC000595404365 520449176 /nfs/dbraw/zinc/44/91/76/520449176.db2.gz WTTIOLWTSYXLCL-UHFFFAOYSA-N 0 3 364.465 2.724 20 5 FFBDHN CN(Cc1ccc(F)cc1[N+](=O)[O-])C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000595448404 520477768 /nfs/dbraw/zinc/47/77/68/520477768.db2.gz KBBFLSIEVXGRGF-HXUWFJFHSA-N 0 3 373.428 2.803 20 5 FFBDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000598195846 520486740 /nfs/dbraw/zinc/48/67/40/520486740.db2.gz UPDPVYQBEMYTOM-KRWDZBQOSA-N 0 3 353.422 2.984 20 5 FFBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)N1CCCC1 ZINC000610063767 520522021 /nfs/dbraw/zinc/52/20/21/520522021.db2.gz GSLZWEJCBAGZRE-JTQLQIEISA-N 0 3 356.220 2.571 20 5 FFBDHN O=[N+]([O-])c1cc(F)ccc1CN[C@@H](C1CCOCC1)C1(CO)CCC1 ZINC000595554091 520549342 /nfs/dbraw/zinc/54/93/42/520549342.db2.gz RQLWQPYVCHCHLT-KRWDZBQOSA-N 0 3 352.406 2.781 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCN1CCC[C@@H](C)C1 ZINC000604446402 520564648 /nfs/dbraw/zinc/56/46/48/520564648.db2.gz LUXNZRHNOVOPBV-OLZOCXBDSA-N 0 3 369.849 2.864 20 5 FFBDHN Cn1c(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)ccc1[N+](=O)[O-] ZINC000604482560 520573352 /nfs/dbraw/zinc/57/33/52/520573352.db2.gz PYEFHBZITJRPSI-UHFFFAOYSA-N 0 3 368.437 2.596 20 5 FFBDHN COc1ccc(OCCN(C)Cc2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 ZINC000610367709 520652627 /nfs/dbraw/zinc/65/26/27/520652627.db2.gz YFQIZWBNNYADKX-UHFFFAOYSA-N 0 3 374.393 2.885 20 5 FFBDHN Cc1cc(C(=O)N2CC3(CCCC3)OC[C@H]2CN(C)C)ccc1[N+](=O)[O-] ZINC000598536606 520688296 /nfs/dbraw/zinc/68/82/96/520688296.db2.gz UBNZTIFZKVRDQT-MRXNPFEDSA-N 0 3 361.442 2.619 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](C(C)C)C2(CO)CCC2)c1 ZINC000593032329 520697434 /nfs/dbraw/zinc/69/74/34/520697434.db2.gz XOYSIWOZFZHNFU-MRXNPFEDSA-N 0 3 350.415 2.658 20 5 FFBDHN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CCCN(CC2CC2)C1 ZINC000598557344 520703868 /nfs/dbraw/zinc/70/38/68/520703868.db2.gz FDQVQAVFOQOAOX-MRXNPFEDSA-N 0 3 373.453 2.796 20 5 FFBDHN CN(C)[C@@]1(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCSC1 ZINC000601276146 520720276 /nfs/dbraw/zinc/72/02/76/520720276.db2.gz IHMHFRKRAFSASL-QGZVFWFLSA-N 0 3 363.483 2.570 20 5 FFBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000610572528 520744691 /nfs/dbraw/zinc/74/46/91/520744691.db2.gz DUWRDFGBEAZDSK-GFCCVEGCSA-N 0 3 368.231 2.571 20 5 FFBDHN C[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCC(F)CC1 ZINC000595819086 520745494 /nfs/dbraw/zinc/74/54/94/520745494.db2.gz MFVIEPXHJCDHIT-UNXYVOJBSA-N 0 3 367.377 2.768 20 5 FFBDHN CNc1ccc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)cc1[N+](=O)[O-] ZINC000595944028 520833306 /nfs/dbraw/zinc/83/33/06/520833306.db2.gz UDGIOONDWCKLKN-KRWDZBQOSA-N 0 3 356.382 2.550 20 5 FFBDHN COc1cc(CN(C)C)ccc1NC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000601620128 520869276 /nfs/dbraw/zinc/86/92/76/520869276.db2.gz HAANALKDSOBLSW-UHFFFAOYSA-N 0 3 359.382 2.926 20 5 FFBDHN COc1cc(CN(C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000601623410 520870752 /nfs/dbraw/zinc/87/07/52/520870752.db2.gz ZPQCMQQCGNOOCE-UHFFFAOYSA-N 0 3 359.382 2.926 20 5 FFBDHN Cc1cc(C(=O)N2CC[C@H](OCCN3CCCCC3)C2)cc([N+](=O)[O-])c1 ZINC000610886907 520893280 /nfs/dbraw/zinc/89/32/80/520893280.db2.gz CPKBSPISPDQQSD-SFHVURJKSA-N 0 3 361.442 2.620 20 5 FFBDHN COc1cc(NCCCCN2CCN(C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596075957 520897762 /nfs/dbraw/zinc/89/77/62/520897762.db2.gz KZVNFKYGDAURHL-UHFFFAOYSA-N 0 3 356.854 2.696 20 5 FFBDHN O=[N+]([O-])c1cncc(Cl)c1NCC1(N2CCCCC2)CCOCC1 ZINC000596133991 520933058 /nfs/dbraw/zinc/93/30/58/520933058.db2.gz IJQLGMGORBEYRZ-UHFFFAOYSA-N 0 3 354.838 2.512 20 5 FFBDHN COC(=O)c1c(Cl)c(N2CC[C@@]3(C2)CCCN(C)C3)ccc1[N+](=O)[O-] ZINC000596243051 520990706 /nfs/dbraw/zinc/99/07/06/520990706.db2.gz FONXUZCBHQCNJP-KRWDZBQOSA-N 0 3 367.833 2.957 20 5 FFBDHN CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596270744 521002741 /nfs/dbraw/zinc/00/27/41/521002741.db2.gz HLNRYEVYQPFKBF-NVXWUHKLSA-N 0 3 372.425 2.644 20 5 FFBDHN CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596270744 521002745 /nfs/dbraw/zinc/00/27/45/521002745.db2.gz HLNRYEVYQPFKBF-NVXWUHKLSA-N 0 3 372.425 2.644 20 5 FFBDHN CCN1CCCN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)[C@H](C)C1 ZINC000596270236 521003161 /nfs/dbraw/zinc/00/31/61/521003161.db2.gz XEXRNDBWEPWCPW-LLVKDONJSA-N 0 3 355.822 2.955 20 5 FFBDHN Cc1nc(N2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000593496581 521031919 /nfs/dbraw/zinc/03/19/19/521031919.db2.gz SNBAZHDMXYKIDF-OALUTQOASA-N 0 3 368.437 2.778 20 5 FFBDHN C[C@@H]1CN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C[C@H](C)N1 ZINC000599110083 521036559 /nfs/dbraw/zinc/03/65/59/521036559.db2.gz FYHZJRSTXKHENF-OCAPTIKFSA-N 0 3 354.279 2.831 20 5 FFBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000599203664 521084683 /nfs/dbraw/zinc/08/46/83/521084683.db2.gz MWGRARRCXPQFSM-GOSISDBHSA-N 0 3 360.458 2.796 20 5 FFBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000599203757 521085913 /nfs/dbraw/zinc/08/59/13/521085913.db2.gz POODYXFDEQOCSJ-QGZVFWFLSA-N 0 3 360.458 2.796 20 5 FFBDHN O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@H](N2CCCC2)C1 ZINC000599283797 521127172 /nfs/dbraw/zinc/12/71/72/521127172.db2.gz DPKPIJSMJAMAOK-NSHDSACASA-N 0 3 368.231 2.668 20 5 FFBDHN CC1(C)Cc2n[nH]cc2CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000596596762 521154255 /nfs/dbraw/zinc/15/42/55/521154255.db2.gz FFSZJALFZZBJLY-UHFFFAOYSA-N 0 3 357.414 2.731 20 5 FFBDHN Cc1ccc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000596620724 521169988 /nfs/dbraw/zinc/16/99/88/521169988.db2.gz PWRNXDJLGRSFQU-RYUDHWBXSA-N 0 3 362.304 2.826 20 5 FFBDHN CC[C@H](CN1CCCC1)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000611523786 521200895 /nfs/dbraw/zinc/20/08/95/521200895.db2.gz OMCPXOIAMSSHBG-OAHLLOKOSA-N 0 3 368.865 2.964 20 5 FFBDHN COc1ccc(NC(=O)CCN2CCC[C@H](OC(F)F)C2)c([N+](=O)[O-])c1 ZINC000611577758 521233092 /nfs/dbraw/zinc/23/30/92/521233092.db2.gz KRZUYVRLPSNVTL-LBPRGKRZSA-N 0 3 373.356 2.636 20 5 FFBDHN C[C@H](NC(=O)Nc1ccc2c(c1)OCCNC2)c1cccc([N+](=O)[O-])c1 ZINC000599619159 521337341 /nfs/dbraw/zinc/33/73/41/521337341.db2.gz SLMZRHRPRVDBAO-LBPRGKRZSA-N 0 3 356.382 2.960 20 5 FFBDHN CCCN1CC[C@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000596899115 521366934 /nfs/dbraw/zinc/36/69/34/521366934.db2.gz BSSJJSSPAIMOEH-NSHDSACASA-N 0 3 371.235 2.963 20 5 FFBDHN Cn1nc(C(=O)OC(C)(C)C)cc1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000602543312 521403872 /nfs/dbraw/zinc/40/38/72/521403872.db2.gz ANHMWAKGRFROIP-UHFFFAOYSA-N 0 3 360.414 2.616 20 5 FFBDHN COC(=O)[C@@H]1C[C@@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000599695330 521407504 /nfs/dbraw/zinc/40/75/04/521407504.db2.gz LLIWGTHXZWPBLP-BTTYYORXSA-N 0 3 363.414 2.585 20 5 FFBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000594195165 521461698 /nfs/dbraw/zinc/46/16/98/521461698.db2.gz CNIPVYMHZYGHGK-RDJZCZTQSA-N 0 3 354.410 2.890 20 5 FFBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000594198653 521464364 /nfs/dbraw/zinc/46/43/64/521464364.db2.gz UIHDLABNHTWJSU-QWHCGFSZSA-N 0 3 369.368 2.943 20 5 FFBDHN COc1ccc(F)c(CNC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000602713479 521490998 /nfs/dbraw/zinc/49/09/98/521490998.db2.gz BYAIBTNIKMGPQX-UHFFFAOYSA-N 0 3 360.389 2.896 20 5 FFBDHN Cc1c(NC(=O)N[C@H]2CCCN(C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000619541083 521758948 /nfs/dbraw/zinc/75/89/48/521758948.db2.gz FEQICVJHIFCANR-NSHDSACASA-N 0 3 371.235 2.881 20 5 FFBDHN C[NH+](C)C1(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCCCCC1 ZINC000821581574 606644786 /nfs/dbraw/zinc/64/47/86/606644786.db2.gz PEPKWMBNUFUCTG-UHFFFAOYSA-N 0 3 359.434 2.841 20 5 FFBDHN C[C@@H]([NH2+]CCCOc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000824593711 608468536 /nfs/dbraw/zinc/46/85/36/608468536.db2.gz SEPWHAJZRTWYEO-CYBMUJFWSA-N 0 3 368.397 2.895 20 5 FFBDHN Cn1cc([C@@]2(CNCc3ccc(Cl)cc3[N+](=O)[O-])CCCO2)cn1 ZINC000898049570 735307118 /nfs/dbraw/zinc/30/71/18/735307118.db2.gz JETCQRLFNRKDLN-INIZCTEOSA-N 0 3 350.806 2.777 20 5 FFBDHN CCCCN(C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000769899943 737581430 /nfs/dbraw/zinc/58/14/30/737581430.db2.gz NUIPRUCVNYTIQL-UHFFFAOYSA-N 0 3 363.867 2.567 20 5 FFBDHN CN1CCN(C2CCN(c3cc(Cl)c(F)cc3[N+](=O)[O-])CC2)CC1 ZINC000866211896 731041244 /nfs/dbraw/zinc/04/12/44/731041244.db2.gz ABSOORLECAAGQY-UHFFFAOYSA-N 0 3 356.829 2.604 20 5 FFBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H]1CCCS(=O)(=O)C1 ZINC000872071870 731726930 /nfs/dbraw/zinc/72/69/30/731726930.db2.gz YZYPXAFFRXTVCF-NEPJUHHUSA-N 0 3 358.485 2.792 20 5 FFBDHN C[C@@H](NC1CCC(CS(C)(=O)=O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872075713 731727223 /nfs/dbraw/zinc/72/72/23/731727223.db2.gz UOVLAJFSPNKNNC-PNESKVBLSA-N 0 3 358.435 2.988 20 5 FFBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000874838224 732106378 /nfs/dbraw/zinc/10/63/78/732106378.db2.gz OJLIFQPRFAEFHP-KGLIPLIRSA-N 0 3 368.231 2.666 20 5 FFBDHN CN(CCN1CC2(C1)CCOCC2)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000877765642 732425800 /nfs/dbraw/zinc/42/58/00/732425800.db2.gz MOFFDQJDXXMZDR-UHFFFAOYSA-N 0 3 353.850 2.792 20 5 FFBDHN CCN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000878943486 732619038 /nfs/dbraw/zinc/61/90/38/732619038.db2.gz GTMAWIDEYVWBED-CABCVRRESA-N 0 3 361.364 2.587 20 5 FFBDHN C[C@@](CO)(NC[C@H](O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000879270717 732676425 /nfs/dbraw/zinc/67/64/25/732676425.db2.gz AGKKDPZQTSSDGE-IRXDYDNUSA-N 0 3 350.802 2.779 20 5 FFBDHN COC1CCN(CCNC(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)CC1 ZINC000888287201 734032248 /nfs/dbraw/zinc/03/22/48/734032248.db2.gz WDMQGGBJWWMVBK-UHFFFAOYSA-N 0 3 370.837 2.789 20 5 FFBDHN CN(C)CCN(Cc1ccccn1)C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000730435633 734637258 /nfs/dbraw/zinc/63/72/58/734637258.db2.gz HGNWCTXMFXAPFX-UHFFFAOYSA-N 0 3 359.455 2.750 20 5 FFBDHN O=C1N(CCNCc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]2CCCCN12 ZINC000895344195 734993701 /nfs/dbraw/zinc/99/37/01/734993701.db2.gz UZOFVLWMWZBXMC-CYBMUJFWSA-N 0 3 352.822 2.628 20 5 FFBDHN C[C@H](CNCc1cn(C)nc1Br)c1ccccc1[N+](=O)[O-] ZINC000897460187 735237029 /nfs/dbraw/zinc/23/70/29/735237029.db2.gz FOMCAZXXVUTYMC-SNVBAGLBSA-N 0 3 353.220 2.984 20 5 FFBDHN C[NH+]1CCC(O[N-]C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC000897675157 735262697 /nfs/dbraw/zinc/26/26/97/735262697.db2.gz SHKJELFPCFJCSP-UHFFFAOYSA-N 0 3 366.176 2.796 20 5 FFBDHN CCC(CC)(CC(=O)OC)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000755026228 736227790 /nfs/dbraw/zinc/22/77/90/736227790.db2.gz OJDCELQDIBFUMX-UHFFFAOYSA-N 0 3 371.821 2.898 20 5 FFBDHN CC1(C)CC[C@H](CCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)OC1 ZINC000905645294 736375086 /nfs/dbraw/zinc/37/50/86/736375086.db2.gz VTXXPLBSMNOOCN-OAHLLOKOSA-N 0 3 370.471 2.553 20 5 FFBDHN O=[N+]([O-])c1ccc(CNC[C@@H](O)COc2cccc(F)c2)cc1Cl ZINC000761523035 736742769 /nfs/dbraw/zinc/74/27/69/736742769.db2.gz PUCIKENGGOJQMO-CYBMUJFWSA-N 0 3 354.765 2.917 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H]1N1CCCC1 ZINC000763283791 736923081 /nfs/dbraw/zinc/92/30/81/736923081.db2.gz RJCPVGVNBGVRAX-HUUCEWRRSA-N 0 3 369.874 2.900 20 5 FFBDHN Cc1cc(S(=O)(=O)[N-]C2CCC(C)([NH+]3CCC3)CC2)c([N+](=O)[O-])s1 ZINC000921719168 738032190 /nfs/dbraw/zinc/03/21/90/738032190.db2.gz PRNUZTBJXXMFLL-UHFFFAOYSA-N 0 3 373.500 2.650 20 5 FFBDHN COc1cc(C[NH2+]CC[C@@H]2CC[C@H](C(F)(F)F)O2)c([N+](=O)[O-])cc1[O-] ZINC000922679359 738183642 /nfs/dbraw/zinc/18/36/42/738183642.db2.gz QGEDTSSBXIVPFD-IINYFYTJSA-N 0 3 364.320 2.899 20 5 FFBDHN COc1cc(CNCCc2nc3c(s2)CCC3)c([N+](=O)[O-])cc1OC ZINC000922718041 738191114 /nfs/dbraw/zinc/19/11/14/738191114.db2.gz MLDKAYCNHXASSD-UHFFFAOYSA-N 0 3 363.439 2.890 20 5 FFBDHN CN1C[C@@H]2CCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000930544028 739124547 /nfs/dbraw/zinc/12/45/47/739124547.db2.gz KBCUNSGVONOXSC-TVQRCGJNSA-N 0 3 369.219 2.525 20 5 FFBDHN C[C@@H](CC[NH+](C)C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791420817 739562067 /nfs/dbraw/zinc/56/20/67/739562067.db2.gz CHHZROLKNCRRIR-QMMMGPOBSA-N 0 3 370.258 2.520 20 5 FFBDHN CCOC(=O)C1(C[NH2+]Cc2cc(OC)c([O-])cc2[N+](=O)[O-])CCCC1 ZINC000792195704 739649621 /nfs/dbraw/zinc/64/96/21/739649621.db2.gz DTROEDFCIYAIIE-UHFFFAOYSA-N 0 3 352.387 2.522 20 5 FFBDHN CCN(CC)CC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000803545536 740809634 /nfs/dbraw/zinc/80/96/34/740809634.db2.gz HFUOONAQHXXUFW-UHFFFAOYSA-N 0 3 370.247 2.584 20 5 FFBDHN CCN1CCN(CCNc2ccc(C)c(Br)c2[N+](=O)[O-])CC1 ZINC000804346712 740862594 /nfs/dbraw/zinc/86/25/94/740862594.db2.gz YLEIDQAKDRXYIU-UHFFFAOYSA-N 0 3 371.279 2.715 20 5 FFBDHN O=[N+]([O-])c1cc(I)cc(CNC[C@H]2CCC=CO2)c1 ZINC000810155056 741393236 /nfs/dbraw/zinc/39/32/36/741393236.db2.gz WKGAXUKZWJYPND-CYBMUJFWSA-N 0 3 374.178 2.982 20 5 FFBDHN CC(COC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1)[N+](=O)[O-] ZINC000813111736 741678346 /nfs/dbraw/zinc/67/83/46/741678346.db2.gz KRLNUNNPTITAMH-OCCSQVGLSA-N 0 3 352.387 2.503 20 5 FFBDHN C[C@@]1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1(Cl)Cl ZINC000819346971 742379367 /nfs/dbraw/zinc/37/93/67/742379367.db2.gz IULPEPZREMZGHJ-LBPRGKRZSA-N 0 3 367.254 2.542 20 5 FFBDHN CC(COC(=O)c1nn(-c2cccc(Cl)c2F)c2c1CCC2)[N+](=O)[O-] ZINC000821167525 742596703 /nfs/dbraw/zinc/59/67/03/742596703.db2.gz TWUCNTMNTGUDLD-SECBINFHSA-N 0 3 367.764 2.976 20 5 FFBDHN Cc1cnc(COCC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])o1 ZINC000845883034 748343980 /nfs/dbraw/zinc/34/39/80/748343980.db2.gz QZGMVOCKIOJEOY-ZBEGNZNMSA-N 0 3 352.318 2.588 20 5 FFBDHN CC([C@H](OC(=O)c1ccnn1CC(F)F)c1ccccc1F)[N+](=O)[O-] ZINC000845883500 748344728 /nfs/dbraw/zinc/34/47/28/748344728.db2.gz UCVMHQZMGZPQLO-XPTSAGLGSA-N 0 3 357.288 2.851 20 5 FFBDHN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)NC1CCN([C@H]2CCOC2)CC1 ZINC000854184433 750258079 /nfs/dbraw/zinc/25/80/79/750258079.db2.gz MPVQZKHBJOSLEC-ZDUSSCGKSA-N 0 3 368.821 2.623 20 5 FFBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@H](CO)c2cccc(C(F)(F)F)c2)c1 ZINC000872217092 1013182658 /nfs/dbraw/zinc/18/26/58/1013182658.db2.gz MZJYCYXBIJDIMO-CVEARBPZSA-N 0 3 370.327 2.970 20 5 FFBDHN C[C@]1(NC[C@@H](O)COc2ccccc2[N+](=O)[O-])CCOc2ccccc21 ZINC000933367911 964202660 /nfs/dbraw/zinc/20/26/60/964202660.db2.gz ASOVOKYIKGFUAO-KUHUBIRLSA-N 0 3 358.394 2.622 20 5 FFBDHN O=[N+]([O-])c1cnc2ccc(F)cc2c1N1CCC(CN2CCOCC2)CC1 ZINC000891862886 965250043 /nfs/dbraw/zinc/25/00/43/965250043.db2.gz XVTUJEWWOVWIKF-UHFFFAOYSA-N 0 3 374.416 2.831 20 5 FFBDHN O=C(CCN[C@@]1(c2ccccc2)C[C@@H](O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC001175954751 1013605032 /nfs/dbraw/zinc/60/50/32/1013605032.db2.gz AUTSNVNBDKJIAS-GLRZTSSQSA-N 0 3 373.384 2.702 20 5 FFBDHN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1c(C)cccc1Cl ZINC001267314924 967823098 /nfs/dbraw/zinc/82/30/98/967823098.db2.gz WBNKJIHFIJDHGU-CZUORRHYSA-N 0 3 353.850 2.642 20 5 FFBDHN O=[N+]([O-])c1ccc(O[C@@H]2CN3CCC2CC3)cc1I ZINC001227991553 979082094 /nfs/dbraw/zinc/08/20/94/979082094.db2.gz GSLMQOYUOFZQAH-CYBMUJFWSA-N 0 3 374.178 2.672 20 5 FFBDHN CCCCCCNC(=O)[C@@H]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000878020660 1014816236 /nfs/dbraw/zinc/81/62/36/1014816236.db2.gz TZKWWCHBCUEXSN-MRXNPFEDSA-N 0 3 365.478 2.508 20 5 FFBDHN CN(C)C[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c2ccccc2O1 ZINC000760820532 984531009 /nfs/dbraw/zinc/53/10/09/984531009.db2.gz FGKKVDAUPCRMFM-QJWNTBNXSA-N 0 3 367.405 2.964 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000323971232 986388990 /nfs/dbraw/zinc/38/89/90/986388990.db2.gz CBLAKALVQIYVEF-OAHLLOKOSA-N 0 3 368.437 2.771 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000324062827 986608447 /nfs/dbraw/zinc/60/84/47/986608447.db2.gz WQPVFDSIHIBCIK-HNNXBMFYSA-N 0 3 368.437 2.771 20 5 FFBDHN CCC(C)(C)N1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000878846309 1015249277 /nfs/dbraw/zinc/24/92/77/1015249277.db2.gz TYALKDGDGXVMTN-UHFFFAOYSA-N 0 3 359.430 2.951 20 5 FFBDHN CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CNCc3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000922787169 988906204 /nfs/dbraw/zinc/90/62/04/988906204.db2.gz DKWLGYJHYIAFDI-QKDCVEJESA-N 0 3 365.405 2.936 20 5 FFBDHN COc1cccc(CN2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000918351671 990377499 /nfs/dbraw/zinc/37/74/99/990377499.db2.gz KILGTTFKZCGLGG-UHFFFAOYSA-N 0 3 369.421 2.998 20 5 FFBDHN CC(C)C[N@@H+]1CCO[C@@H](COC(=O)c2cc3cccc([N+](=O)[O-])c3[n-]2)C1 ZINC000919521048 990663708 /nfs/dbraw/zinc/66/37/08/990663708.db2.gz ALWMKMCSKJZBRO-CQSZACIVSA-N 0 3 361.398 2.590 20 5 FFBDHN CC(C)C[N@H+]1CCO[C@@H](COC(=O)c2cc3cccc([N+](=O)[O-])c3[n-]2)C1 ZINC000919521048 990663709 /nfs/dbraw/zinc/66/37/09/990663709.db2.gz ALWMKMCSKJZBRO-CQSZACIVSA-N 0 3 361.398 2.590 20 5 FFBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H]2C[C@H](O)C23CCOCC3)o1 ZINC000923017550 990794964 /nfs/dbraw/zinc/79/49/64/990794964.db2.gz BOEDNXHLJGNYOP-MSOLQXFVSA-N 0 3 358.394 2.874 20 5 FFBDHN Cc1cc(C)cc([C@@H](O)CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000072665352 993255413 /nfs/dbraw/zinc/25/54/13/993255413.db2.gz VCKYFGMYZQNWQK-WMZOPIPTSA-N 0 3 356.426 2.826 20 5 FFBDHN COCCN(CCN(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1C(C)(C)C ZINC000880706907 1015951147 /nfs/dbraw/zinc/95/11/47/1015951147.db2.gz XDGDNVLEPMOQNW-UHFFFAOYSA-N 0 3 366.462 2.934 20 5 FFBDHN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)OCCN2CCCCC2)c1 ZINC000845287283 998467340 /nfs/dbraw/zinc/46/73/40/998467340.db2.gz WQIJMQJBRFGIKQ-UHFFFAOYSA-N 0 3 372.425 2.791 20 5 FFBDHN CC([C@@H](OC(=O)[C@H](C)NC(=O)OC(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845875104 998676786 /nfs/dbraw/zinc/67/67/86/998676786.db2.gz LOIILMJYMYKPFJ-COPLHBTASA-N 0 3 370.377 2.988 20 5 FFBDHN CC([C@@H](OC(=O)[C@H]1CCc2cnn(C)c2C1)c1ccccc1F)[N+](=O)[O-] ZINC000845876287 998677044 /nfs/dbraw/zinc/67/70/44/998677044.db2.gz BTPYXEPSUIWVLD-BWACUDIHSA-N 0 3 361.373 2.614 20 5 FFBDHN CC([C@H](OC(=O)[C@H](C)NC(=O)C1CCCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845873762 998677093 /nfs/dbraw/zinc/67/70/93/998677093.db2.gz FZRLTZRNOBJFPZ-OZVIIMIRSA-N 0 3 366.389 2.770 20 5 FFBDHN CCOC(=O)c1cccc([N+](=O)[O-])c1N1CCCc2ccc(CN)nc21 ZINC001169592409 1000060204 /nfs/dbraw/zinc/06/02/04/1000060204.db2.gz RFRWHSCXRDXKBI-UHFFFAOYSA-N 0 3 356.382 2.710 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(CO)(Cc3ccccc3)CC2)cc1 ZINC000769992642 1000649725 /nfs/dbraw/zinc/64/97/25/1000649725.db2.gz XIORXUAGUNTZLG-FQEVSTJZSA-N 0 3 370.449 2.945 20 5 FFBDHN CC(C)N(C[C@H](O)COc1ccccc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000770044650 1000663412 /nfs/dbraw/zinc/66/34/12/1000663412.db2.gz RHXJSRSMLDLSKA-AZUAARDMSA-N 0 3 374.437 2.779 20 5 FFBDHN C[C@@H](NC[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788506603 1001814278 /nfs/dbraw/zinc/81/42/78/1001814278.db2.gz WSWKFJXZKPQYKG-QAPCUYQASA-N 0 3 370.453 2.729 20 5 FFBDHN CCOC(=O)[C@@H]1CCCN([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170345816 1003131451 /nfs/dbraw/zinc/13/14/51/1003131451.db2.gz MBWXYLOHGZJFMV-UKRRQHHQSA-N 0 3 350.415 2.810 20 5 FFBDHN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000804812900 1003859876 /nfs/dbraw/zinc/85/98/76/1003859876.db2.gz MKQZDQKRGJVWIW-GXTWGEPZSA-N 0 3 365.405 2.974 20 5 FFBDHN NC(=O)c1ccccc1N1CC[C@@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000776699688 1006597225 /nfs/dbraw/zinc/59/72/25/1006597225.db2.gz IJFYWBNDHYWKOK-CQSZACIVSA-N 0 3 374.828 2.716 20 5 FFBDHN NC(=O)c1ccccc1N1CC[C@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000776699686 1006597556 /nfs/dbraw/zinc/59/75/56/1006597556.db2.gz IJFYWBNDHYWKOK-AWEZNQCLSA-N 0 3 374.828 2.716 20 5 FFBDHN COc1cc(Cc2noc(-c3cc4c(s3)CCNC4)n2)ccc1[N+](=O)[O-] ZINC000854142795 1006704482 /nfs/dbraw/zinc/70/44/82/1006704482.db2.gz ZFPQWOAVHJXHCH-UHFFFAOYSA-N 0 3 372.406 2.951 20 5 FFBDHN Cc1cc(C)n(-c2ccc(CNC[C@H](O)c3ccc([N+](=O)[O-])cc3)cn2)n1 ZINC000818964442 1007979969 /nfs/dbraw/zinc/97/99/69/1007979969.db2.gz WEKCZYBXCSVTBC-SFHVURJKSA-N 0 3 367.409 2.616 20 5 FFBDHN O=C1[C@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCN1C1CCCCC1 ZINC000819254861 1008071738 /nfs/dbraw/zinc/07/17/38/1008071738.db2.gz TZMRERJTJRIEJX-QZTJIDSGSA-N 0 3 361.442 2.542 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000820673872 1008359522 /nfs/dbraw/zinc/35/95/22/1008359522.db2.gz MOSFXFRDPPSMBT-GASCZTMLSA-N 0 3 363.458 2.831 20 5 FFBDHN CCOc1cc(N2CCN(C[C@@H]3C[C@]34CCOC4)CC2)ccc1[N+](=O)[O-] ZINC000886181384 1008599571 /nfs/dbraw/zinc/59/95/71/1008599571.db2.gz KNPQAJGWPZSXOH-KXBFYZLASA-N 0 3 361.442 2.542 20 5 FFBDHN O=C(COc1cccc([N+](=O)[O-])c1)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000117093304 1008759078 /nfs/dbraw/zinc/75/90/78/1008759078.db2.gz BPWLBXLIQUDPOD-GOSISDBHSA-N 0 3 356.378 2.791 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)NC/C=C\c2ccc(F)c(F)c2)cc1 ZINC001179524819 1009351454 /nfs/dbraw/zinc/35/14/54/1009351454.db2.gz ASCYDLXJGWHOHM-FKAFAWJWSA-N 0 3 364.348 2.570 20 5 FFBDHN O=[N+]([O-])c1cc(F)c(N2CCC(n3ncc4c3CCNC4)CC2)c(F)c1 ZINC001173009826 1012179337 /nfs/dbraw/zinc/17/93/37/1012179337.db2.gz HZKRWJLKJSVYBZ-UHFFFAOYSA-N 0 3 363.368 2.557 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N(C)CCc2noc(C)n2)c1F ZINC001173182844 1012326718 /nfs/dbraw/zinc/32/67/18/1012326718.db2.gz UVAZKFURORKQCR-SNVBAGLBSA-N 0 3 352.366 2.539 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCC(=O)Nc2ccccc2)c1F ZINC001173189647 1012332378 /nfs/dbraw/zinc/33/23/78/1012332378.db2.gz PGZJSAJBLQONJA-GFCCVEGCSA-N 0 3 361.373 2.902 20 5 FFBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](NC(=O)N2CCCC2)C1 ZINC001173238496 1012386836 /nfs/dbraw/zinc/38/68/36/1012386836.db2.gz TXPAJMXWWWPRSH-NVXWUHKLSA-N 0 3 360.458 2.796 20 5 FFBDHN CC([C@H](OC(=O)c1cncc(N2CCCC2)n1)c1ccccc1F)[N+](=O)[O-] ZINC000870454506 1012390237 /nfs/dbraw/zinc/39/02/37/1012390237.db2.gz LXWNBZGZARNDRV-PXAZEXFGSA-N 0 3 374.372 2.779 20 5 FFBDHN O=[N+]([O-])c1cc(-c2cc(CN3CCC[C@H]3CO)on2)ccc1N1CCCC1 ZINC000901398616 1019043669 /nfs/dbraw/zinc/04/36/69/1019043669.db2.gz WSKUKYGJMIFTLM-HNNXBMFYSA-N 0 3 372.425 2.807 20 5 FFBDHN COc1cc([C@H](C)NCCNC(=O)c2ccccc2F)cc([N+](=O)[O-])c1 ZINC000903075368 1020665228 /nfs/dbraw/zinc/66/52/28/1020665228.db2.gz URVNSCXQLQNXFP-LBPRGKRZSA-N 0 3 361.373 2.823 20 5 FFBDHN CN(C)CCN(Cc1ccco1)C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000934490975 1021258962 /nfs/dbraw/zinc/25/89/62/1021258962.db2.gz BZBYNJCDAGWOJW-MSOLQXFVSA-N 0 3 357.410 2.882 20 5 FFBDHN Cc1noc2nc(O[C@H]3Cc4ccc([N+](=O)[O-])cc4C3)c3c(c12)CCNC3 ZINC001218044959 1032969738 /nfs/dbraw/zinc/96/97/38/1032969738.db2.gz GHWWMUCFLFNEKC-AWEZNQCLSA-N 0 3 366.377 2.631 20 5 FFBDHN CN(C(=O)CN1CCCC[C@H]([C@@H]2CCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000934844352 1021426601 /nfs/dbraw/zinc/42/66/01/1021426601.db2.gz YZIPSESVWNNVGW-JKSUJKDBSA-N 0 3 361.442 2.696 20 5 FFBDHN CN(C)CCONC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC001118702669 1022359442 /nfs/dbraw/zinc/35/94/42/1022359442.db2.gz FWDCEABPOVRWGZ-UHFFFAOYSA-N 0 3 353.444 2.853 20 5 FFBDHN COc1cc(C(=O)OCCN(C)Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000837315048 1025720185 /nfs/dbraw/zinc/72/01/85/1025720185.db2.gz KJSVTYDSCAWKKO-UHFFFAOYSA-N 0 3 374.393 2.901 20 5 FFBDHN COC(=O)c1cc(C(=O)OC[C@H]2CCCCN2C(C)C)cc([N+](=O)[O-])c1 ZINC000837342877 1025734657 /nfs/dbraw/zinc/73/46/57/1025734657.db2.gz CBJIKTHIMXYQGR-OAHLLOKOSA-N 0 3 364.398 2.801 20 5 FFBDHN CC(=O)OC1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000093453737 1027728435 /nfs/dbraw/zinc/72/84/35/1027728435.db2.gz HUQAXBHEXGWKOX-UHFFFAOYSA-N 0 3 358.398 2.523 20 5 FFBDHN N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N1CCN2CC[C@H]2C1 ZINC001161423672 1028164641 /nfs/dbraw/zinc/16/46/41/1028164641.db2.gz JDXKGHLVZXSWIQ-AVRDEDQJSA-N 0 3 359.473 2.779 20 5 FFBDHN O=[N+]([O-])c1cccc2ccc(-n3nc(C(F)(F)F)c4c3CCNC4)nc21 ZINC001154849824 1028482679 /nfs/dbraw/zinc/48/26/79/1028482679.db2.gz VIGDUSDTNVNLLK-UHFFFAOYSA-N 0 3 363.299 2.993 20 5 FFBDHN CCOC(=O)c1cc([N+](=O)[O-])c(NCCN2CCC(OC)CC2)cc1C ZINC001162663773 1028613212 /nfs/dbraw/zinc/61/32/12/1028613212.db2.gz BFAUOGRLQNWVCA-UHFFFAOYSA-N 0 3 365.430 2.603 20 5 FFBDHN COC(=O)c1cc([N+](=O)[O-])c(-n2c3ccccc3nc2[C@@H](C)N)cc1OC ZINC001162777830 1028654072 /nfs/dbraw/zinc/65/40/72/1028654072.db2.gz VXJSEQOOGSVEMK-SNVBAGLBSA-N 0 3 370.365 2.749 20 5 FFBDHN O=[N+]([O-])c1ccccc1NCCc1noc([C@H]2CNCc3ccccc32)n1 ZINC000843184658 1031227636 /nfs/dbraw/zinc/22/76/36/1031227636.db2.gz GSMSENDVJKLDIE-HNNXBMFYSA-N 0 3 365.393 2.868 20 5 FFBDHN Nc1c(Cl)cc(C(=O)NC[C@@H]2CCN2C2CCCC2)cc1[N+](=O)[O-] ZINC001150780202 1031784085 /nfs/dbraw/zinc/78/40/85/1031784085.db2.gz BIELIBQOGYBYJP-LBPRGKRZSA-N 0 3 352.822 2.577 20 5 FFBDHN CCN(CCN1CCOCC1)Cc1ccc2ccc3cccnc3c2n1 ZINC001232221679 1035503600 /nfs/dbraw/zinc/50/36/00/1035503600.db2.gz CMPKNDRNOLQZOK-UHFFFAOYSA-N 0 3 350.466 2.937 20 5 FFBDHN CC(COC(=O)Cc1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2)[N+](=O)[O-] ZINC000835457077 1035777442 /nfs/dbraw/zinc/77/74/42/1035777442.db2.gz WROYZYDXFDUZKP-GFCCVEGCSA-N 0 3 364.398 2.735 20 5 FFBDHN CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3c4cccnc4ccc3[N+](=O)[O-])C[C@H]1N2C ZINC001233783857 1036761360 /nfs/dbraw/zinc/76/13/60/1036761360.db2.gz AGIVBLWFNYINJU-RPLLJCPNSA-N 0 3 371.393 2.689 20 5 FFBDHN CCOC(=O)Cc1ccc([N+](=O)[O-])c(O[C@@H]2CCCN(C(C)C)C2)c1 ZINC001234411411 1037025486 /nfs/dbraw/zinc/02/54/86/1037025486.db2.gz SLSKPWDKLNVWJQ-OAHLLOKOSA-N 0 3 350.415 2.952 20 5 FFBDHN CCc1ccc(S(=O)(=O)NCCCN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC001208087454 1038019850 /nfs/dbraw/zinc/01/98/50/1038019850.db2.gz WXTABFUUUVWDPX-UHFFFAOYSA-N 0 3 369.487 2.558 20 5 FFBDHN CN1CCN(CCc2nc(-c3ccc4ccc5cccnc5c4n3)no2)CC1 ZINC001247447964 1039755737 /nfs/dbraw/zinc/75/57/37/1039755737.db2.gz HBGFDNKCENRDCV-UHFFFAOYSA-N 0 3 374.448 2.623 20 5 FFBDHN COC(=O)CN(C1CCCC1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254480212 1040747339 /nfs/dbraw/zinc/74/73/39/1040747339.db2.gz YGHTVOKUUYRNJF-UHFFFAOYSA-N 0 3 361.442 2.981 20 5 FFBDHN CCOC(=O)C[C@@H](N[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccnc1 ZINC001254578081 1040813011 /nfs/dbraw/zinc/81/30/11/1040813011.db2.gz IZJRBBWVNVCZAH-SJLPKXTDSA-N 0 3 355.394 2.741 20 5 FFBDHN O=[N+]([O-])c1cccc([C@@H](NCCN2CCC(CO)CC2)c2ccccc2)c1 ZINC001319903179 1045299073 /nfs/dbraw/zinc/29/90/73/1045299073.db2.gz FITIBBPUQGCNOC-NRFANRHFSA-N 0 3 369.465 2.978 20 5 FFBDHN COc1cccc2cc(CNC[C@@H](O)COc3cccc([N+](=O)[O-])c3)oc21 ZINC001325839791 1046657925 /nfs/dbraw/zinc/65/79/25/1046657925.db2.gz GGELWXYFIUAAIW-OAHLLOKOSA-N 0 3 372.377 2.879 20 5 FFBDHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001540453659 1070894477 /nfs/dbraw/zinc/89/44/77/1070894477.db2.gz BFJLAODPKZAEMS-GFCCVEGCSA-N 0 3 363.805 2.538 20 5 FFBDHN CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CC=CCC1)C1CC1 ZINC001298117436 1050381529 /nfs/dbraw/zinc/38/15/29/1050381529.db2.gz AULLBKULZFYQMW-UHFFFAOYSA-N 0 3 368.441 2.714 20 5 FFBDHN O=C(Nc1ccc2c(c1)CNCCO2)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001341785598 1050399186 /nfs/dbraw/zinc/39/91/86/1050399186.db2.gz CNLZEDUDOVKJGS-IAGOWNOFSA-N 0 3 353.378 2.819 20 5 FFBDHN C[C@H]1[C@H](NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CCN1C ZINC001303800974 1051450445 /nfs/dbraw/zinc/45/04/45/1051450445.db2.gz KHPOSVGFDNCRIL-GOEBONIOSA-N 0 3 360.458 2.654 20 5 FFBDHN CCn1c([C@H]2CCCN(C)C2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001342998734 1051614860 /nfs/dbraw/zinc/61/48/60/1051614860.db2.gz BOIAKXXDGXTOBP-HNNXBMFYSA-N 0 3 358.446 2.652 20 5 FFBDHN Cc1ccc(S(=O)(=O)N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC001309282173 1052590961 /nfs/dbraw/zinc/59/09/61/1052590961.db2.gz GNOFPCSTKQAUKZ-GUTXKFCHSA-N 0 3 369.487 2.548 20 5 FFBDHN Cc1c(C(=O)N[C@H]2CCCN3CCCC[C@H]23)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000847253266 1055321276 /nfs/dbraw/zinc/32/12/76/1055321276.db2.gz ABGUWEGCRWYPIG-LSDHHAIUSA-N 0 3 362.386 2.558 20 5 FFBDHN COC1(CNCc2ccc(Br)cc2[N+](=O)[O-])CCOCC1 ZINC001349786368 1055468220 /nfs/dbraw/zinc/46/82/20/1055468220.db2.gz JPPKRBONRRSMFF-UHFFFAOYSA-N 0 3 359.220 2.643 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N(CCN(C)C)Cc2cccc(F)c2)n1 ZINC001352871931 1055885934 /nfs/dbraw/zinc/88/59/34/1055885934.db2.gz JHMLYVASUSHWGS-UHFFFAOYSA-N 0 3 360.389 2.641 20 5 FFBDHN CC(C)[C@H](CNc1ncc([N+](=O)[O-])c2ccccc21)N1CCN(C)CC1 ZINC001353227508 1056207906 /nfs/dbraw/zinc/20/79/06/1056207906.db2.gz FFVKOWAWGAXRFJ-KRWDZBQOSA-N 0 3 357.458 2.827 20 5 FFBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@H]3CCC[C@@H](C(F)(F)F)O3)CC2)n1 ZINC001351413599 1056251657 /nfs/dbraw/zinc/25/16/57/1056251657.db2.gz HRTMDKJQSCVYFN-OLZOCXBDSA-N 0 3 362.352 2.928 20 5 FFBDHN CC([C@H](OC(=O)c1ccc2c(n1)OCCO2)c1ccccc1F)[N+](=O)[O-] ZINC000847737074 1056493996 /nfs/dbraw/zinc/49/39/96/1056493996.db2.gz HTACCEZQLPFUHL-BMIGLBTASA-N 0 3 362.313 2.555 20 5 FFBDHN CC(C)N1CC[C@@H](C(=O)Oc2cccc([N+](=O)[O-])c2)[C@@H](c2cnn(C)c2)C1 ZINC000849487696 1056872714 /nfs/dbraw/zinc/87/27/14/1056872714.db2.gz FBLCPNPGHVWRPG-QZTJIDSGSA-N 0 3 372.425 2.748 20 5 FFBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000848350283 1059835398 /nfs/dbraw/zinc/83/53/98/1059835398.db2.gz PKPHJIKXXXAMEX-HKUYNNGSSA-N 0 3 372.469 2.942 20 5 FFBDHN COc1ccc(CC[NH2+]Cc2cc(OC)c([O-])cc2[N+](=O)[O-])cc1OC ZINC001461001477 1061183187 /nfs/dbraw/zinc/18/31/87/1061183187.db2.gz VRTVFLWILJWUQA-UHFFFAOYSA-N 0 3 362.382 2.659 20 5 FFBDHN CN(C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCCN(C)C1 ZINC001476363986 1061398317 /nfs/dbraw/zinc/39/83/17/1061398317.db2.gz YDMVXKIXEOJPTN-NSHDSACASA-N 0 3 371.235 2.915 20 5 FFBDHN Cc1c(NC(=O)CCN2CC[C@@H](c3cnccn3)C2)cccc1[N+](=O)[O-] ZINC001473833573 1065383358 /nfs/dbraw/zinc/38/33/58/1065383358.db2.gz MCTCTDAMAVBFEZ-CQSZACIVSA-N 0 3 355.398 2.511 20 5 FFBDHN COc1c(O)ccc(CN[C@@](C)(CO)Cc2ccccc2F)c1[N+](=O)[O-] ZINC001474651921 1065569722 /nfs/dbraw/zinc/56/97/22/1065569722.db2.gz DRHQWTMMAJBUAB-GOSISDBHSA-N 0 3 364.373 2.531 20 5 FFBDHN CC(C)CCN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC001559482279 1076165730 /nfs/dbraw/zinc/16/57/30/1076165730.db2.gz YJQAAAFRIAVTJB-UHFFFAOYSA-N 0 3 374.485 2.754 20 5 FFBDHN COc1ccccc1C[C@@](C)(CO)NCc1ccc([N+](=O)[O-])cc1OC ZINC001560102521 1076226950 /nfs/dbraw/zinc/22/69/50/1076226950.db2.gz QIBQLFXINZVTHC-IBGZPJMESA-N 0 3 360.410 2.695 20 5 FFBDHN COC(=O)C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C ZINC001560172591 1076241588 /nfs/dbraw/zinc/24/15/88/1076241588.db2.gz ATAMCZLCEQMBST-ZDUSSCGKSA-N 0 3 371.821 2.754 20 5 FFBDHN COc1ccc(OCCC[NH2+]Cc2cc(OC)c([O-])cc2[N+](=O)[O-])cc1 ZINC001560287614 1076260142 /nfs/dbraw/zinc/26/01/42/1076260142.db2.gz MSFHHSNDYLBCJD-UHFFFAOYSA-N 0 3 362.382 2.876 20 5 FFBDHN COCC[C@H](CNCc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC001560283065 1076260362 /nfs/dbraw/zinc/26/03/62/1076260362.db2.gz VZWGHNCYOTVCDO-CQSZACIVSA-N 0 3 353.419 2.614 20 5 FFBDHN C[C@H](Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001589978293 1080916239 /nfs/dbraw/zinc/91/62/39/1080916239.db2.gz MCVLCTFSSBJPEB-GXTWGEPZSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@H](Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001589978293 1080916246 /nfs/dbraw/zinc/91/62/46/1080916246.db2.gz MCVLCTFSSBJPEB-GXTWGEPZSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@H](Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001589978293 1080916252 /nfs/dbraw/zinc/91/62/52/1080916252.db2.gz MCVLCTFSSBJPEB-GXTWGEPZSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@H](Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001589978293 1080916258 /nfs/dbraw/zinc/91/62/58/1080916258.db2.gz MCVLCTFSSBJPEB-GXTWGEPZSA-N 0 3 371.445 2.840 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000377088843 512118277 /nfs/dbraw/zinc/11/82/77/512118277.db2.gz AOTKPGYOCGNEIR-KBXCAEBGSA-N 0 3 354.410 2.691 20 5 FFBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(CCC(C)(C)C)CC1 ZINC000055935834 205225544 /nfs/dbraw/zinc/22/55/44/205225544.db2.gz XYYDOLFBHPDQDD-OAHLLOKOSA-N 0 3 362.474 2.976 20 5 FFBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1Cl ZINC000097454436 250065586 /nfs/dbraw/zinc/06/55/86/250065586.db2.gz ZZLXRRCHYIRZMB-CABZTGNLSA-N 0 3 359.213 2.810 20 5 FFBDHN CN(C)[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000105327891 250210272 /nfs/dbraw/zinc/21/02/72/250210272.db2.gz WLNAFGVNSSLCKC-AWEZNQCLSA-N 0 3 360.439 2.885 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCN(C3CCCC3)C2)c(Cl)c1 ZINC000106891455 250297016 /nfs/dbraw/zinc/29/70/16/250297016.db2.gz KMNCGBLZVOKQAA-LLVKDONJSA-N 0 3 373.862 2.543 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCCN2CCC(OC[C@H]3CCOC3)CC2)cc1 ZINC000131787425 251020617 /nfs/dbraw/zinc/02/06/17/251020617.db2.gz MXGYQRLRRIOGSR-INIZCTEOSA-N 0 3 364.442 2.881 20 5 FFBDHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Br)cc1 ZINC000181109464 251242949 /nfs/dbraw/zinc/24/29/49/251242949.db2.gz ZOGDSNHYGXESKG-NSHDSACASA-N 0 3 366.215 2.870 20 5 FFBDHN CC(=O)c1ccc(OC[C@H](O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000271719642 251861000 /nfs/dbraw/zinc/86/10/00/251861000.db2.gz XNLLLXVCXFTWAL-FZKQIMNGSA-N 0 3 358.394 2.888 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)C[C@H](O)COCCOC(C)C ZINC000272283973 252000079 /nfs/dbraw/zinc/00/00/79/252000079.db2.gz FUQFVNRXNGFUSA-RDJZCZTQSA-N 0 3 354.447 2.699 20 5 FFBDHN CC(C)CN1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000276340533 256091510 /nfs/dbraw/zinc/09/15/10/256091510.db2.gz SGKGHZYEOJULGB-CQSZACIVSA-N 0 3 369.487 2.778 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000277278312 256179938 /nfs/dbraw/zinc/17/99/38/256179938.db2.gz BBLKLQCEJXVCLZ-CQSZACIVSA-N 0 3 364.446 2.834 20 5 FFBDHN CCS[C@@H]1CCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000286009291 257015779 /nfs/dbraw/zinc/01/57/79/257015779.db2.gz GVCSRIQPRUCGOW-UKRRQHHQSA-N 0 3 353.444 2.806 20 5 FFBDHN CC(=O)c1cc(NCc2ccccc2CN2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000286912496 257061618 /nfs/dbraw/zinc/06/16/18/257061618.db2.gz PPOFEFNRGURPNQ-GOSISDBHSA-N 0 3 369.421 2.976 20 5 FFBDHN COc1ccc(C[C@@](C)(O)CNCc2ccccc2[N+](=O)[O-])cc1OC ZINC000289838203 257302281 /nfs/dbraw/zinc/30/22/81/257302281.db2.gz OSSKBPCEJSAUPU-LJQANCHMSA-N 0 3 360.410 2.695 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN(CCCOC)CC1 ZINC000289888982 257304868 /nfs/dbraw/zinc/30/48/68/257304868.db2.gz SWYWQSAZLOYJMH-UHFFFAOYSA-N 0 3 364.446 2.780 20 5 FFBDHN Cc1c(CO)cc([N+](=O)[O-])c(NCCN2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000301075348 258023233 /nfs/dbraw/zinc/02/32/33/258023233.db2.gz GDEXBDKDABDXTP-LLVKDONJSA-N 0 3 352.391 2.590 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302151069 258091088 /nfs/dbraw/zinc/09/10/88/258091088.db2.gz BOIIIVQNUUNRFL-UKRRQHHQSA-N 0 3 352.398 2.570 20 5 FFBDHN C[C@H]1C[C@H](C)CN(CCCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000302675416 258107706 /nfs/dbraw/zinc/10/77/06/258107706.db2.gz UDKKXVDKVIBOLG-KBPBESRZSA-N 0 3 369.487 2.778 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000330691304 258168580 /nfs/dbraw/zinc/16/85/80/258168580.db2.gz BCWRWYNUVGNVTC-WBVHZDCISA-N 0 3 363.458 2.961 20 5 FFBDHN CCCN1CCC(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)CC1 ZINC000330764223 258170100 /nfs/dbraw/zinc/17/01/00/258170100.db2.gz RHQQYOGJXBGTLZ-UHFFFAOYSA-N 0 3 369.487 2.612 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000330836935 258171554 /nfs/dbraw/zinc/17/15/54/258171554.db2.gz TWHIDYZCBKOKAP-ZYHUDNBSSA-N 0 3 357.863 2.939 20 5 FFBDHN CC(C)c1n[nH]c(C(=O)N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000331212508 258179668 /nfs/dbraw/zinc/17/96/68/258179668.db2.gz KFKYEFNLAOQMJN-JHJVBQTASA-N 0 3 351.451 2.538 20 5 FFBDHN CCN1CCCC[C@H]1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000331973200 258208277 /nfs/dbraw/zinc/20/82/77/258208277.db2.gz SROKMVAHTWEEME-INIZCTEOSA-N 0 3 360.458 2.799 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H]2CCCCN2C[C@H]1C ZINC000332007016 258209642 /nfs/dbraw/zinc/20/96/42/258209642.db2.gz JJQONTLPJIUVJF-NVXWUHKLSA-N 0 3 360.458 2.790 20 5 FFBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000331721240 258197917 /nfs/dbraw/zinc/19/79/17/258197917.db2.gz SRKRZLNUWJEYBO-AWEZNQCLSA-N 0 3 358.442 2.738 20 5 FFBDHN CCC[C@@H](N)c1cn(Cc2ccc(Br)cc2[N+](=O)[O-])nn1 ZINC000229958023 509432156 /nfs/dbraw/zinc/43/21/56/509432156.db2.gz CBDJSFMBKZOIJO-LLVKDONJSA-N 0 3 354.208 2.797 20 5 FFBDHN CCOc1ccc(C(=O)NC[C@H](Cc2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000032245618 506235343 /nfs/dbraw/zinc/23/53/43/506235343.db2.gz PHYSDWBVQIDNHH-KRWDZBQOSA-N 0 3 371.437 2.896 20 5 FFBDHN Cn1ccnc1[C@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000377267921 512193441 /nfs/dbraw/zinc/19/34/41/512193441.db2.gz RBYPAFAHIIOIJY-AWEZNQCLSA-N 0 3 357.414 2.537 20 5 FFBDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000369066566 512211198 /nfs/dbraw/zinc/21/11/98/512211198.db2.gz RUBOLJVQMZJRKS-OAHLLOKOSA-N 0 3 369.425 2.527 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CCN(C)C1CCCCC1 ZINC000065971495 506402815 /nfs/dbraw/zinc/40/28/15/506402815.db2.gz CZGMSKVVKPKMAF-UHFFFAOYSA-N 0 3 369.487 2.788 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000054224893 506517900 /nfs/dbraw/zinc/51/79/00/506517900.db2.gz OJGRFUAPHZESPR-GOEBONIOSA-N 0 3 354.410 2.864 20 5 FFBDHN CCN1CCN(Cc2ccccc2CNc2ncccc2[N+](=O)[O-])CC1 ZINC000041621007 506536819 /nfs/dbraw/zinc/53/68/19/506536819.db2.gz VFTSQHXOAJQLQB-UHFFFAOYSA-N 0 3 355.442 2.739 20 5 FFBDHN C[C@@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC(C)CC1 ZINC000067270546 506811889 /nfs/dbraw/zinc/81/18/89/506811889.db2.gz PPUUZRKCQLGOBQ-HNNXBMFYSA-N 0 3 371.441 2.631 20 5 FFBDHN C[C@@H]1C[C@H](C)C[N@@H+](CCCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000056067417 506923384 /nfs/dbraw/zinc/92/33/84/506923384.db2.gz NKLBFXLIHVXYLD-GASCZTMLSA-N 0 3 369.487 2.631 20 5 FFBDHN C[C@@H]1C[C@H](C)C[N@H+](CCCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000056067417 506923392 /nfs/dbraw/zinc/92/33/92/506923392.db2.gz NKLBFXLIHVXYLD-GASCZTMLSA-N 0 3 369.487 2.631 20 5 FFBDHN C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@H]1N1CCN(C)CC1 ZINC000371305412 512318323 /nfs/dbraw/zinc/31/83/23/512318323.db2.gz YRCVWEZLELBQDW-RDTXWAMCSA-N 0 3 366.893 2.706 20 5 FFBDHN CN(C)CCOc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000056891451 507117679 /nfs/dbraw/zinc/11/76/79/507117679.db2.gz ONUARUJRHJJRDD-UHFFFAOYSA-N 0 3 361.373 2.604 20 5 FFBDHN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]1CN1CCCCC1 ZINC000068133233 507123610 /nfs/dbraw/zinc/12/36/10/507123610.db2.gz GTGNBEMJSWIWOO-CQSZACIVSA-N 0 3 357.414 2.562 20 5 FFBDHN CCOc1ccc([C@@H](C)N[C@H]2CCN(c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000371313970 512324159 /nfs/dbraw/zinc/32/41/59/512324159.db2.gz PJYIRYOAXSKZCH-HIFRSBDPSA-N 0 3 359.430 2.657 20 5 FFBDHN CN(C)Cc1ccc(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1 ZINC000068411782 507219395 /nfs/dbraw/zinc/21/93/95/507219395.db2.gz DAYJLARIDSIHII-UHFFFAOYSA-N 0 3 366.421 2.928 20 5 FFBDHN CCN1CCC(NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000047864654 507402699 /nfs/dbraw/zinc/40/26/99/507402699.db2.gz CPPMNRRCFCFRLB-UHFFFAOYSA-N 0 3 358.345 2.802 20 5 FFBDHN CCCCCNC(=O)C(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000048717403 507555711 /nfs/dbraw/zinc/55/57/11/507555711.db2.gz PSSJRCPMRLHMQK-CYBMUJFWSA-N 0 3 356.444 2.513 20 5 FFBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)CN2CCCCC2)cc1OC ZINC000027755920 507681644 /nfs/dbraw/zinc/68/16/44/507681644.db2.gz CEAOGYABVYNNBU-ZDUSSCGKSA-N 0 3 365.430 2.606 20 5 FFBDHN CN(C)[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000071862571 507721359 /nfs/dbraw/zinc/72/13/59/507721359.db2.gz ROISKPZMIQUSSF-MRXNPFEDSA-N 0 3 353.382 2.504 20 5 FFBDHN O=C(COc1ccccc1[N+](=O)[O-])N[C@@H](CN1CCCC1)c1ccccc1 ZINC000029177283 507766305 /nfs/dbraw/zinc/76/63/05/507766305.db2.gz YBFMVOVXGBTCSM-KRWDZBQOSA-N 0 3 369.421 2.927 20 5 FFBDHN Cc1ccc(C(=O)NCC2(N3CCSCC3)CCCC2)cc1[N+](=O)[O-] ZINC000029367198 507775630 /nfs/dbraw/zinc/77/56/30/507775630.db2.gz ANBKHDHYBJOVID-UHFFFAOYSA-N 0 3 363.483 2.995 20 5 FFBDHN CNC(=O)c1ccc(NC[C@H](c2ccc(C)cc2)N(C)C)c([N+](=O)[O-])c1 ZINC000064114110 507784905 /nfs/dbraw/zinc/78/49/05/507784905.db2.gz BPDLDKUQOOXPHZ-GOSISDBHSA-N 0 3 356.426 2.978 20 5 FFBDHN CN1CCC[C@H](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000108340217 507888928 /nfs/dbraw/zinc/88/89/28/507888928.db2.gz ZKHITWLDVKQRJE-MRXNPFEDSA-N 0 3 363.461 2.613 20 5 FFBDHN Cc1ccc([C@H](C)NC(=O)Nc2cnn(CCN(C)C)c2)cc1[N+](=O)[O-] ZINC000078633919 507891527 /nfs/dbraw/zinc/89/15/27/507891527.db2.gz YJJPNCZLVYNJJB-ZDUSSCGKSA-N 0 3 360.418 2.544 20 5 FFBDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000081128770 508141110 /nfs/dbraw/zinc/14/11/10/508141110.db2.gz BTCBUMCFSZEHCP-SFHVURJKSA-N 0 3 369.421 2.707 20 5 FFBDHN CC[C@@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000112535474 508193890 /nfs/dbraw/zinc/19/38/90/508193890.db2.gz NVCYTRDBQKBRIH-QGZVFWFLSA-N 0 3 363.439 2.614 20 5 FFBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CC1CCN(C)CC1 ZINC000103450221 508312765 /nfs/dbraw/zinc/31/27/65/508312765.db2.gz BDKNHVWZNBCAIW-GFCCVEGCSA-N 0 3 369.849 2.816 20 5 FFBDHN O=C(Nc1cccc(CN2CCC(O)CC2)c1)c1csc([N+](=O)[O-])c1 ZINC000086239118 508322885 /nfs/dbraw/zinc/32/28/85/508322885.db2.gz MCARLAMNYLMYDF-UHFFFAOYSA-N 0 3 361.423 2.865 20 5 FFBDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000106787610 508404506 /nfs/dbraw/zinc/40/45/06/508404506.db2.gz UKQFHYFEZWTSNZ-OAHLLOKOSA-N 0 3 358.442 2.916 20 5 FFBDHN CCCc1[nH]nc(C(=O)N2CCN(C3CCC(C)CC3)CC2)c1[N+](=O)[O-] ZINC000115723845 508431841 /nfs/dbraw/zinc/43/18/41/508431841.db2.gz QPMAXKNEPSMEKL-UHFFFAOYSA-N 0 3 363.462 2.607 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CCc1nccs1 ZINC000157544058 508580013 /nfs/dbraw/zinc/58/00/13/508580013.db2.gz SFBWTFXDKZWSMN-UHFFFAOYSA-N 0 3 364.427 2.563 20 5 FFBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccc(-n4cccn4)cc3)C2)nc1 ZINC000118866494 508688888 /nfs/dbraw/zinc/68/88/88/508688888.db2.gz LWOUHMXXDLSYNZ-INIZCTEOSA-N 0 3 364.409 2.862 20 5 FFBDHN COc1ccc(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000137485092 508758554 /nfs/dbraw/zinc/75/85/54/508758554.db2.gz OEGGFTCSDLVUIT-RHSMWYFYSA-N 0 3 369.421 2.996 20 5 FFBDHN C[C@@H]1C[C@H](N(C)C(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCN1C ZINC000124187929 508794662 /nfs/dbraw/zinc/79/46/62/508794662.db2.gz HEOHYKIAKFFWAO-ZYHUDNBSSA-N 0 3 370.247 2.912 20 5 FFBDHN CN(C)CCn1ccc(NCc2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC000119746933 508855103 /nfs/dbraw/zinc/85/51/03/508855103.db2.gz RVWWCHGBDOJKBS-UHFFFAOYSA-N 0 3 355.345 2.566 20 5 FFBDHN NC(=O)[C@@H]1CCC[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000120081954 508924006 /nfs/dbraw/zinc/92/40/06/508924006.db2.gz KOVACGMFHHNFJR-YPMHNXCESA-N 0 3 360.439 2.852 20 5 FFBDHN CN(C)[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)Cc1ccccc1 ZINC000120294273 508966750 /nfs/dbraw/zinc/96/67/50/508966750.db2.gz ZDXBYGBJGSZMAR-INIZCTEOSA-N 0 3 366.421 2.979 20 5 FFBDHN CCN(C)CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000132430789 509030772 /nfs/dbraw/zinc/03/07/72/509030772.db2.gz XJRFHQHRCMURQZ-UHFFFAOYSA-N 0 3 364.627 2.692 20 5 FFBDHN CN(C)CCOc1ccc(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000133072771 509112968 /nfs/dbraw/zinc/11/29/68/509112968.db2.gz RJVHBJGRRPWKAH-UHFFFAOYSA-N 0 3 361.373 2.604 20 5 FFBDHN Cc1c(CC(=O)N[C@@H](Cc2ccccc2)CN(C)C)cccc1[N+](=O)[O-] ZINC000162334105 509201788 /nfs/dbraw/zinc/20/17/88/509201788.db2.gz ZOIAKQCHQBEKSO-SFHVURJKSA-N 0 3 355.438 2.735 20 5 FFBDHN CCN(CC)CCN(CC(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000195536743 509208546 /nfs/dbraw/zinc/20/85/46/509208546.db2.gz HGRKEWXKCSULJI-UHFFFAOYSA-N 0 3 357.476 2.583 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCCN2CCC(C)CC2)cc1C ZINC000195593891 509210200 /nfs/dbraw/zinc/21/02/00/509210200.db2.gz KPAGTHLJUZHLFM-UHFFFAOYSA-N 0 3 369.487 2.612 20 5 FFBDHN COc1cccc(C(=O)NCCN[C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000162404747 509217223 /nfs/dbraw/zinc/21/72/23/509217223.db2.gz OYHPCTCQGKAJMV-AWEZNQCLSA-N 0 3 357.410 2.992 20 5 FFBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000248124619 509239585 /nfs/dbraw/zinc/23/95/85/509239585.db2.gz VEOXTEQXXPKOMN-UGSOOPFHSA-N 0 3 356.426 2.561 20 5 FFBDHN COc1cccc(NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000185644268 509282017 /nfs/dbraw/zinc/28/20/17/509282017.db2.gz LQSIKEJQBMTIQD-HOTGVXAUSA-N 0 3 357.410 2.651 20 5 FFBDHN COc1cc(CN[C@H](CO)Cc2ccccc2C)c([N+](=O)[O-])cc1OC ZINC000188934512 509331311 /nfs/dbraw/zinc/33/13/11/509331311.db2.gz CPWCQHTWGLXQNJ-INIZCTEOSA-N 0 3 360.410 2.614 20 5 FFBDHN CN(C)[C@]1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCSC1 ZINC000267133319 509358513 /nfs/dbraw/zinc/35/85/13/509358513.db2.gz CYZNZSPCTAVWML-AWEZNQCLSA-N 0 3 358.851 2.807 20 5 FFBDHN CCN1CCC(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CC1 ZINC000164076470 509460765 /nfs/dbraw/zinc/46/07/65/509460765.db2.gz YLZKPQQAUMNZJI-UHFFFAOYSA-N 0 3 370.247 2.880 20 5 FFBDHN COc1cccc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000248837789 509505492 /nfs/dbraw/zinc/50/54/92/509505492.db2.gz DQQMDZWZZPSJDO-RHSMWYFYSA-N 0 3 369.421 2.854 20 5 FFBDHN CC(C)(C)OC1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000164906917 509543024 /nfs/dbraw/zinc/54/30/24/509543024.db2.gz JMHWERIYWHLBRY-OAHLLOKOSA-N 0 3 352.431 2.614 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248945920 509550546 /nfs/dbraw/zinc/55/05/46/509550546.db2.gz ZGWNKOIOHPAFKS-FZKQIMNGSA-N 0 3 354.410 2.549 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000248950443 509551680 /nfs/dbraw/zinc/55/16/80/509551680.db2.gz ZSWZCAYWMOWPDA-CRAIPNDOSA-N 0 3 368.437 2.915 20 5 FFBDHN CC(C)C[C@H]1OCCC[C@@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000186305259 509633986 /nfs/dbraw/zinc/63/39/86/509633986.db2.gz AZVFUDNDGRVGHU-FUHWJXTLSA-N 0 3 361.442 2.667 20 5 FFBDHN Nc1c(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000176706406 509651167 /nfs/dbraw/zinc/65/11/67/509651167.db2.gz YJWPKLKWSKVAFI-HNNXBMFYSA-N 0 3 354.410 2.571 20 5 FFBDHN CN1CC[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000180184440 509797897 /nfs/dbraw/zinc/79/78/97/509797897.db2.gz ZWZPPBVFCLROJZ-APWZRJJASA-N 0 3 354.410 2.568 20 5 FFBDHN COC(=O)c1cccc(NC(=O)C[C@@H](C)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000183594672 509877663 /nfs/dbraw/zinc/87/76/63/509877663.db2.gz IDSQLJHZIGDGNF-CYBMUJFWSA-N 0 3 371.393 2.888 20 5 FFBDHN Cc1nc([C@H]2CCCN([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n[nH]1 ZINC000268484165 509961178 /nfs/dbraw/zinc/96/11/78/509961178.db2.gz ONVYRMQONXAACW-OCCSQVGLSA-N 0 3 372.429 2.536 20 5 FFBDHN Cc1n[nH]c([C@H]2CCCN([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000268484165 509961187 /nfs/dbraw/zinc/96/11/87/509961187.db2.gz ONVYRMQONXAACW-OCCSQVGLSA-N 0 3 372.429 2.536 20 5 FFBDHN Cc1nnc([C@H]2CCCN([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)[nH]1 ZINC000268484165 509961205 /nfs/dbraw/zinc/96/12/05/509961205.db2.gz ONVYRMQONXAACW-OCCSQVGLSA-N 0 3 372.429 2.536 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](c2cc[nH]n2)C1 ZINC000193585179 509978206 /nfs/dbraw/zinc/97/82/06/509978206.db2.gz RKSIJNZFSDSPTI-AWEZNQCLSA-N 0 3 357.414 2.835 20 5 FFBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000190186966 509992605 /nfs/dbraw/zinc/99/26/05/509992605.db2.gz KHVNAGYKMSMRIM-UHFFFAOYSA-N 0 3 369.487 2.708 20 5 FFBDHN O=C(NC[C@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000193766300 510057892 /nfs/dbraw/zinc/05/78/92/510057892.db2.gz XRXKHKNBSYWOIO-OAHLLOKOSA-N 0 3 357.385 2.986 20 5 FFBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000180716207 510068818 /nfs/dbraw/zinc/06/88/18/510068818.db2.gz INQSIQIMXYJBCZ-MRXNPFEDSA-N 0 3 368.437 2.962 20 5 FFBDHN O=[N+]([O-])c1ccc2nc(N3CCN(CC4CCOCC4)CC3)ccc2c1 ZINC000265483243 510081012 /nfs/dbraw/zinc/08/10/12/510081012.db2.gz ICKGBBRYVOQVNW-UHFFFAOYSA-N 0 3 356.426 2.692 20 5 FFBDHN CC(C)OCCN1CCC(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000177700634 510205015 /nfs/dbraw/zinc/20/50/15/510205015.db2.gz LAFODEIXZGACBF-UHFFFAOYSA-N 0 3 369.849 2.867 20 5 FFBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C2 ZINC000174682855 510248829 /nfs/dbraw/zinc/24/88/29/510248829.db2.gz QEAXHJGQGWWNOQ-DOTOQJQBSA-N 0 3 372.469 2.894 20 5 FFBDHN CN1CCC(Nc2ccccc2NC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000184362759 510285397 /nfs/dbraw/zinc/28/53/97/510285397.db2.gz XATYDMCZLVJZID-UHFFFAOYSA-N 0 3 369.425 2.935 20 5 FFBDHN C[C@H](c1ccccc1)N1CCC(NC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000184640477 510435889 /nfs/dbraw/zinc/43/58/89/510435889.db2.gz RWPPKKCYGYRHCA-CYBMUJFWSA-N 0 3 369.425 2.527 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(OC2CCCC2)CC1 ZINC000181648881 510521778 /nfs/dbraw/zinc/52/17/78/510521778.db2.gz IOIZQQGVWOHTHP-HNNXBMFYSA-N 0 3 364.442 2.758 20 5 FFBDHN COc1ccccc1[C@@H](CC(C)C)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000181717156 510555807 /nfs/dbraw/zinc/55/58/07/510555807.db2.gz SLKBLNVUMUTLBN-DOTOQJQBSA-N 0 3 362.430 2.538 20 5 FFBDHN CCc1n[nH]c(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000175272302 510562973 /nfs/dbraw/zinc/56/29/73/510562973.db2.gz LQLQVJSWUHLARN-UKRRQHHQSA-N 0 3 371.441 2.663 20 5 FFBDHN CC(C)C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)N(C)C ZINC000181876188 510636857 /nfs/dbraw/zinc/63/68/57/510636857.db2.gz DMVZFRAQRBSIPE-GFCCVEGCSA-N 0 3 359.373 2.902 20 5 FFBDHN CN(Cc1cccc([N+](=O)[O-])c1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000188302676 510698350 /nfs/dbraw/zinc/69/83/50/510698350.db2.gz IDESMPKPADQVRQ-FQEVSTJZSA-N 0 3 355.438 2.664 20 5 FFBDHN C[C@@H](NCc1ccnc(N2CCN(C)CC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178645449 510702575 /nfs/dbraw/zinc/70/25/75/510702575.db2.gz CIZIAWCSKCELNT-OAHLLOKOSA-N 0 3 355.442 2.592 20 5 FFBDHN CCSc1ccc([C@@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000182136723 510775889 /nfs/dbraw/zinc/77/58/89/510775889.db2.gz JJUBGLNZXDQLBJ-IUODEOHRSA-N 0 3 350.444 2.615 20 5 FFBDHN C[C@H]1CN2CCC[C@H]2CN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000247110259 510837059 /nfs/dbraw/zinc/83/70/59/510837059.db2.gz DWXKROFEJHXYPI-JQWIXIFHSA-N 0 3 370.356 2.897 20 5 FFBDHN C[C@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000247643343 510867597 /nfs/dbraw/zinc/86/75/97/510867597.db2.gz OQFHSYQTYHQBBW-WMLDXEAASA-N 0 3 357.414 2.703 20 5 FFBDHN COc1ccc(OC)c([C@H](O)CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000293887188 510887777 /nfs/dbraw/zinc/88/77/77/510887777.db2.gz VSAONHODHCBJJQ-PIGZYNQJSA-N 0 3 361.398 2.578 20 5 FFBDHN CC1CCN([C@H](CNC(=O)c2nn(C)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000270737385 510968247 /nfs/dbraw/zinc/96/82/47/510968247.db2.gz FBJYDQCOMLOAAV-MRXNPFEDSA-N 0 3 371.441 2.531 20 5 FFBDHN Cc1ccccc1CN1CCCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000361066458 510988964 /nfs/dbraw/zinc/98/89/64/510988964.db2.gz AJELTLQOJCATDL-UHFFFAOYSA-N 0 3 366.425 2.658 20 5 FFBDHN CN(C)CCn1nccc1NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000297656663 511024887 /nfs/dbraw/zinc/02/48/87/511024887.db2.gz DXTXVNCNSLROCE-UHFFFAOYSA-N 0 3 371.319 2.624 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CN1C1CC1 ZINC000279381559 511063609 /nfs/dbraw/zinc/06/36/09/511063609.db2.gz VAFJGJCBGCYDKB-KOLCDFICSA-N 0 3 355.797 2.671 20 5 FFBDHN O=C(CCN1CCC[C@H](c2ccncn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000361652485 511074919 /nfs/dbraw/zinc/07/49/19/511074919.db2.gz MHVUQRXZZQGWRM-AWEZNQCLSA-N 0 3 355.398 2.593 20 5 FFBDHN COCCCN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C1CCN(C)CC1 ZINC000291395085 511181360 /nfs/dbraw/zinc/18/13/60/511181360.db2.gz GXNZPOMYKVIWRU-UHFFFAOYSA-N 0 3 369.849 2.821 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1N1CCCC1 ZINC000295018223 511254503 /nfs/dbraw/zinc/25/45/03/511254503.db2.gz UNALQMSNDLOELQ-LSDHHAIUSA-N 0 3 369.874 2.900 20 5 FFBDHN O=[N+]([O-])c1cnc2ccccc2c1N1CCC(CN2CCOCC2)CC1 ZINC000291610816 511266569 /nfs/dbraw/zinc/26/65/69/511266569.db2.gz JKQBTKAWCBKUBP-UHFFFAOYSA-N 0 3 356.426 2.692 20 5 FFBDHN C[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CCN(C2CC2)C1 ZINC000295532757 511436829 /nfs/dbraw/zinc/43/68/29/511436829.db2.gz JTDXJORELXNKSC-ZDUSSCGKSA-N 0 3 369.425 2.541 20 5 FFBDHN CC(C)N(C)C[C@@H](C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000292033330 511438874 /nfs/dbraw/zinc/43/88/74/511438874.db2.gz XTPINXZOGLAXEJ-MRXNPFEDSA-N 0 3 365.477 3.000 20 5 FFBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272213868 511467300 /nfs/dbraw/zinc/46/73/00/511467300.db2.gz SBIVYJHQWKETQH-GFCCVEGCSA-N 0 3 355.385 2.875 20 5 FFBDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)CCC(C)(C)[N+](=O)[O-])cc1 ZINC000295655801 511473225 /nfs/dbraw/zinc/47/32/25/511473225.db2.gz HFTSNOLPQFQDGC-QGZVFWFLSA-N 0 3 363.458 2.784 20 5 FFBDHN Cc1ccccc1NC(=O)CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365509164 511494642 /nfs/dbraw/zinc/49/46/42/511494642.db2.gz INGKSEHEQQDVRS-UHFFFAOYSA-N 0 3 357.414 2.765 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](c2nccn2C)C1 ZINC000365633340 511571339 /nfs/dbraw/zinc/57/13/39/511571339.db2.gz VHESNDUSEWTSCE-OAHLLOKOSA-N 0 3 371.441 2.845 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000296013395 511588325 /nfs/dbraw/zinc/58/83/25/511588325.db2.gz NQMXLOORRQLIRP-BMGDILEWSA-N 0 3 359.426 2.779 20 5 FFBDHN CCN(CC)[C@H](CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-])c1ccsc1 ZINC000299431397 511633423 /nfs/dbraw/zinc/63/34/23/511633423.db2.gz DLYXZMFUHHIYFC-GFCCVEGCSA-N 0 3 351.432 2.501 20 5 FFBDHN COc1cc(CNC[C@H]2CCOC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000299471046 511649597 /nfs/dbraw/zinc/64/95/97/511649597.db2.gz AQVUMMODSLPXNN-SNVBAGLBSA-N 0 3 364.320 2.671 20 5 FFBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@@H](O)c3ccc(Cl)cc3)CC2)n1 ZINC000365819058 511667257 /nfs/dbraw/zinc/66/72/57/511667257.db2.gz IDRSAPOBECGGFB-OAHLLOKOSA-N 0 3 350.806 2.815 20 5 FFBDHN Cc1cc(NC2CCN([C@@H]3CCOC3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000363663802 511692410 /nfs/dbraw/zinc/69/24/10/511692410.db2.gz GKVXXWNHLGDLEH-MRXNPFEDSA-N 0 3 356.426 2.539 20 5 FFBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(Cc4ccccn4)CC3)nc2c1 ZINC000274091374 511716902 /nfs/dbraw/zinc/71/69/02/511716902.db2.gz RUJJCHGDFJORFG-UHFFFAOYSA-N 0 3 352.398 2.578 20 5 FFBDHN O=C1N[C@H]2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@@H]2CO1 ZINC000281155709 511740672 /nfs/dbraw/zinc/74/06/72/511740672.db2.gz FTXSFPMKEJQARX-CJNGLKHVSA-N 0 3 357.366 2.785 20 5 FFBDHN COCCOc1ccccc1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000366046245 511806603 /nfs/dbraw/zinc/80/66/03/511806603.db2.gz ZUANXUONAKSBEA-UHFFFAOYSA-N 0 3 360.414 2.654 20 5 FFBDHN C[C@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCN(C2CC2)C1 ZINC000296683149 511851855 /nfs/dbraw/zinc/85/18/55/511851855.db2.gz IRLGDIIKDMJVIH-ZDUSSCGKSA-N 0 3 357.414 2.561 20 5 FFBDHN CN(C)CC1(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CCC1 ZINC000281634573 511915104 /nfs/dbraw/zinc/91/51/04/511915104.db2.gz GUZVQVSLDPWQBR-UHFFFAOYSA-N 0 3 374.210 2.711 20 5 FFBDHN NC(=O)c1ccc(CN2CCCC[C@H]2[C@@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000364053264 511932222 /nfs/dbraw/zinc/93/22/22/511932222.db2.gz GRIDTLDJXYXCTE-HKUYNNGSSA-N 0 3 369.421 2.782 20 5 FFBDHN Cc1cc(F)c(NC(=O)N2CC[C@]3(C2)CCCN(C)C3)cc1[N+](=O)[O-] ZINC000296889519 511938334 /nfs/dbraw/zinc/93/83/34/511938334.db2.gz XAEBJXOJILTJCY-QGZVFWFLSA-N 0 3 350.394 2.992 20 5 FFBDHN COc1cc(CNC[C@H](OC)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000293635324 512034247 /nfs/dbraw/zinc/03/42/47/512034247.db2.gz LTDMRFJKCXQSEC-HNNXBMFYSA-N 0 3 360.357 2.762 20 5 FFBDHN C[C@H](NCc1cccc(N2CCOCC2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293665071 512044318 /nfs/dbraw/zinc/04/43/18/512044318.db2.gz IYLUUCIJQAKYJY-AWEZNQCLSA-N 0 3 356.426 2.864 20 5 FFBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000367845094 512687033 /nfs/dbraw/zinc/68/70/33/512687033.db2.gz ZXYDEXHBLYKKKS-YPMHNXCESA-N 0 3 369.368 2.895 20 5 FFBDHN CCCN(CCN1CCCC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000411717504 512777531 /nfs/dbraw/zinc/77/75/31/512777531.db2.gz IPXFOMIFUILCML-GOSISDBHSA-N 0 3 360.458 2.508 20 5 FFBDHN CC(C)(O)CN1CCc2c(cccc2NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000368169592 512829509 /nfs/dbraw/zinc/82/95/09/512829509.db2.gz XJOWOVKFAMCQAT-UHFFFAOYSA-N 0 3 369.421 2.976 20 5 FFBDHN C[C@@H]1[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CCN1Cc1ccccc1 ZINC000382009666 512876613 /nfs/dbraw/zinc/87/66/13/512876613.db2.gz MTXQVNILKBBGJS-CJNGLKHVSA-N 0 3 354.410 2.570 20 5 FFBDHN CO[C@@](C)([C@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000411970066 512894301 /nfs/dbraw/zinc/89/43/01/512894301.db2.gz MSBMQICXAJGTDS-QFYYESIMSA-N 0 3 355.822 2.980 20 5 FFBDHN CO[C@](C)([C@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000411970065 512894915 /nfs/dbraw/zinc/89/49/15/512894915.db2.gz MSBMQICXAJGTDS-MGPLVRAMSA-N 0 3 355.822 2.980 20 5 FFBDHN CC(C)(C)OC(=O)CC[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000412081964 512950584 /nfs/dbraw/zinc/95/05/84/512950584.db2.gz WZMHVSBCBBSTAI-CQSZACIVSA-N 0 3 352.435 2.625 20 5 FFBDHN C[C@@H]1CC[C@H](C)N1[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000408217947 513024104 /nfs/dbraw/zinc/02/41/04/513024104.db2.gz GOKMZJJVMQWLQY-IJEWVQPXSA-N 0 3 367.471 2.621 20 5 FFBDHN Cc1cc(CN)cc(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000424429854 513141707 /nfs/dbraw/zinc/14/17/07/513141707.db2.gz YAMUNKFPQRNFGG-UHFFFAOYSA-N 0 3 356.382 2.657 20 5 FFBDHN C[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CC[C@@H]1N1CCN(C)CC1 ZINC000450404047 513179936 /nfs/dbraw/zinc/17/99/36/513179936.db2.gz BTJDDZVJDVYPRB-BEFAXECRSA-N 0 3 369.469 2.605 20 5 FFBDHN CCCCN1CCCC[C@@H]1CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000434179932 513257267 /nfs/dbraw/zinc/25/72/67/513257267.db2.gz ACJPQMYKJDAQLI-CYBMUJFWSA-N 0 3 351.451 2.826 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000429022032 513257409 /nfs/dbraw/zinc/25/74/09/513257409.db2.gz RBXIZWHAVKIKAC-DHSIGJKJSA-N 0 3 360.458 2.504 20 5 FFBDHN C[C@@H](CN1CCCCCC1)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000450744042 513323150 /nfs/dbraw/zinc/32/31/50/513323150.db2.gz KNPNDQSJBCSSRT-HNNXBMFYSA-N 0 3 361.442 2.938 20 5 FFBDHN O=C(NC[C@H]1CCCCN1C1CC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000434446855 513325927 /nfs/dbraw/zinc/32/59/27/513325927.db2.gz RGFTXHAOGZUYTH-QGZVFWFLSA-N 0 3 369.425 2.527 20 5 FFBDHN O=C(NC[C@@H]1CCCCN1C1CC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000434446852 513326434 /nfs/dbraw/zinc/32/64/34/513326434.db2.gz RGFTXHAOGZUYTH-KRWDZBQOSA-N 0 3 369.425 2.527 20 5 FFBDHN CC(=O)N1CCCN(C[C@H]2CCCN(c3c(C)cccc3[N+](=O)[O-])C2)CC1 ZINC000450777965 513336853 /nfs/dbraw/zinc/33/68/53/513336853.db2.gz SZYQVHOBVVWYLD-GOSISDBHSA-N 0 3 374.485 2.674 20 5 FFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCCN1C ZINC000421711379 513382895 /nfs/dbraw/zinc/38/28/95/513382895.db2.gz ONQPRGNPWHPNSF-LLVKDONJSA-N 0 3 370.247 2.832 20 5 FFBDHN CNCc1ccccc1NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000415895523 513465562 /nfs/dbraw/zinc/46/55/62/513465562.db2.gz BKCXNOQNXDTMPR-UHFFFAOYSA-N 0 3 356.382 2.741 20 5 FFBDHN CN(Cc1ccccc1)C(=O)CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447538540 513501984 /nfs/dbraw/zinc/50/19/84/513501984.db2.gz BVYDGJFACLXCLS-IRXDYDNUSA-N 0 3 371.441 2.523 20 5 FFBDHN C[C@@H](O)CN(CCn1ccc([N+](=O)[O-])n1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441241249 513518344 /nfs/dbraw/zinc/51/83/44/513518344.db2.gz SEVWBJZAGDCATF-ZIAGYGMSSA-N 0 3 366.849 2.759 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000430211261 513588084 /nfs/dbraw/zinc/58/80/84/513588084.db2.gz XHOPTXFDWRHADD-IIDMSEBBSA-N 0 3 363.458 2.677 20 5 FFBDHN CN(c1ccccc1)c1ccc(CN[C@@H](CO)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000447965161 513640374 /nfs/dbraw/zinc/64/03/74/513640374.db2.gz HTHQGGZDVRKTIV-PXNSSMCTSA-N 0 3 371.437 2.992 20 5 FFBDHN CN(c1ccccc1)c1ccc(CN[C@H](CO)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000447965165 513640500 /nfs/dbraw/zinc/64/05/00/513640500.db2.gz HTHQGGZDVRKTIV-YLJYHZDGSA-N 0 3 371.437 2.992 20 5 FFBDHN COc1ccc(NC(=O)CCN2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000416207900 513645339 /nfs/dbraw/zinc/64/53/39/513645339.db2.gz WWKNEKBQOKXPCG-UHFFFAOYSA-N 0 3 355.394 2.990 20 5 FFBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451298219 513661102 /nfs/dbraw/zinc/66/11/02/513661102.db2.gz VSHXRUJEBKWYDO-KRWDZBQOSA-N 0 3 371.441 2.631 20 5 FFBDHN O=C1[C@H](N2CCCC[C@@H]2[C@H]2CCC[C@H]2O)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451343682 513689803 /nfs/dbraw/zinc/68/98/03/513689803.db2.gz OSIQADPCXAQWBR-NCXUSEDFSA-N 0 3 373.453 2.716 20 5 FFBDHN C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N(C)C ZINC000436111962 513764168 /nfs/dbraw/zinc/76/41/68/513764168.db2.gz ZXETWURQRICPIY-SNVBAGLBSA-N 0 3 359.376 2.639 20 5 FFBDHN C[C@@H](N[C@@H]1CCO[C@@H](c2ccccn2)C1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000419304540 513768845 /nfs/dbraw/zinc/76/88/45/513768845.db2.gz JYKLXRYOZIMNIF-DDUZABMNSA-N 0 3 370.409 2.827 20 5 FFBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H]2[C@H](C)[C@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451502477 513794946 /nfs/dbraw/zinc/79/49/46/513794946.db2.gz PXCNBQCXMLHESJ-QMMBQJITSA-N 0 3 365.430 2.580 20 5 FFBDHN CCOC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000451589694 513851850 /nfs/dbraw/zinc/85/18/50/513851850.db2.gz JFPXLPCZELLJNC-KGLIPLIRSA-N 0 3 363.414 2.553 20 5 FFBDHN CC(C)[C@@H](CO)[C@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000451589455 513852139 /nfs/dbraw/zinc/85/21/39/513852139.db2.gz AODVHWNTLLJXMH-JJRVBVJISA-N 0 3 351.447 2.801 20 5 FFBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CCCC[C@H]1C ZINC000448699172 513852912 /nfs/dbraw/zinc/85/29/12/513852912.db2.gz SMHIYWVZXWZRMW-HUUCEWRRSA-N 0 3 371.441 2.773 20 5 FFBDHN COc1cc(CN[C@@H]2CCC[C@H]2OC)c([N+](=O)[O-])cc1OCC(F)F ZINC000451635604 513877148 /nfs/dbraw/zinc/87/71/48/513877148.db2.gz YIQFMLWENQXVCM-DGCLKSJQSA-N 0 3 360.357 2.904 20 5 FFBDHN CN(C)[C@@]1(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000431687412 513968902 /nfs/dbraw/zinc/96/89/02/513968902.db2.gz XHMDJIBMVHQZGU-QGZVFWFLSA-N 0 3 366.487 2.566 20 5 FFBDHN CC(C)(C(=O)NCCNc1ccccc1[N+](=O)[O-])[C@H](N)c1ccccc1 ZINC000422931763 513979968 /nfs/dbraw/zinc/97/99/68/513979968.db2.gz CUUDTLNEAWCPTA-QGZVFWFLSA-N 0 3 356.426 2.849 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000423062207 514024900 /nfs/dbraw/zinc/02/49/00/514024900.db2.gz MOEDVFWKLPZVHN-QGZVFWFLSA-N 0 3 357.410 2.946 20 5 FFBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCN(Cc2ccccc2)C1=O ZINC000449109753 514075244 /nfs/dbraw/zinc/07/52/44/514075244.db2.gz YAUUWDQLOPNQIZ-YJBOKZPZSA-N 0 3 353.422 2.917 20 5 FFBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCN(Cc2ccccc2)C1=O ZINC000449109752 514075701 /nfs/dbraw/zinc/07/57/01/514075701.db2.gz YAUUWDQLOPNQIZ-QAPCUYQASA-N 0 3 353.422 2.917 20 5 FFBDHN C[C@H](NC(=O)NC[C@H]1NCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000417128377 514182187 /nfs/dbraw/zinc/18/21/87/514182187.db2.gz IHJDRMUGQQXUPT-SCLBCKFNSA-N 0 3 354.410 2.842 20 5 FFBDHN C[C@@H](NC(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1)c1cccc([N+](=O)[O-])c1 ZINC000417140131 514189021 /nfs/dbraw/zinc/18/90/21/514189021.db2.gz PLUDVNNDFDUNSM-JEBQAFNWSA-N 0 3 354.410 2.792 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H](CC(F)(F)F)C2)c1 ZINC000420938480 514387687 /nfs/dbraw/zinc/38/76/87/514387687.db2.gz AWYVRSDJBZDBOM-JSGCOSHPSA-N 0 3 362.348 2.999 20 5 FFBDHN CC(C)OC[C@H](CO)N(C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000433144826 514398476 /nfs/dbraw/zinc/39/84/76/514398476.db2.gz DLQHQMJSACDSTE-INIZCTEOSA-N 0 3 363.414 2.510 20 5 FFBDHN CCOc1cc(N2CCN(CCC3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000433213565 514424590 /nfs/dbraw/zinc/42/45/90/514424590.db2.gz PPSOJTBLTGLTAP-UHFFFAOYSA-N 0 3 363.458 2.932 20 5 FFBDHN Cc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)n(C2CCN(C)CC2)n1 ZINC000438938858 514469630 /nfs/dbraw/zinc/46/96/30/514469630.db2.gz WSBVLXPCCHCGQB-UHFFFAOYSA-N 0 3 371.441 2.856 20 5 FFBDHN COC(=O)Cc1ccc(NC[C@H](Cc2ccccc2)N(C)C)c([N+](=O)[O-])c1 ZINC000450218960 514548889 /nfs/dbraw/zinc/54/88/89/514548889.db2.gz ZKHDITGPCWKSPZ-KRWDZBQOSA-N 0 3 371.437 2.895 20 5 FFBDHN O=C([C@@H]1CCCN1C1CCCC1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461409859 514602297 /nfs/dbraw/zinc/60/22/97/514602297.db2.gz YISYRIZLBYXWSH-KRWDZBQOSA-N 0 3 359.426 2.723 20 5 FFBDHN CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475305354 514610113 /nfs/dbraw/zinc/61/01/13/514610113.db2.gz NPLLDKRTQSZKKE-GOSISDBHSA-N 0 3 353.422 2.870 20 5 FFBDHN Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2N)ccc1OCCN(C)C ZINC000458200605 514623146 /nfs/dbraw/zinc/62/31/46/514623146.db2.gz SXRKGGVGMHNYSA-UHFFFAOYSA-N 0 3 358.398 2.678 20 5 FFBDHN CN(C)CCN(Cc1ccsc1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000458202010 514623175 /nfs/dbraw/zinc/62/31/75/514623175.db2.gz MXALVCSFIJUMJO-UHFFFAOYSA-N 0 3 363.439 2.626 20 5 FFBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000508344529 514748894 /nfs/dbraw/zinc/74/88/94/514748894.db2.gz QWLLNOZHKWMIGO-GJZGRUSLSA-N 0 3 371.441 2.631 20 5 FFBDHN CCC[NH+](CCC)CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467414906 515000909 /nfs/dbraw/zinc/00/09/09/515000909.db2.gz WYVGXIPYYXZUNA-UHFFFAOYSA-N 0 3 363.505 2.755 20 5 FFBDHN O=[N+]([O-])c1cccc2ncnc(N3CCN(CCc4ccccc4)CC3)c21 ZINC000509048696 515002419 /nfs/dbraw/zinc/00/24/19/515002419.db2.gz GCAMCQGQXBJWBO-UHFFFAOYSA-N 0 3 363.421 2.903 20 5 FFBDHN CC1CCN([C@@H](CNC(=O)c2cc([N+](=O)[O-])nn2C)c2ccccc2)CC1 ZINC000476377123 515023679 /nfs/dbraw/zinc/02/36/79/515023679.db2.gz SWECQIHNJKVDSJ-KRWDZBQOSA-N 0 3 371.441 2.531 20 5 FFBDHN CC1CCN([C@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)c2cccs2)CC1 ZINC000503478897 515047665 /nfs/dbraw/zinc/04/76/65/515047665.db2.gz JOPPGXKRWMPWFZ-CYBMUJFWSA-N 0 3 363.443 2.582 20 5 FFBDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485599295 515106245 /nfs/dbraw/zinc/10/62/45/515106245.db2.gz LXOQHFQAJSXHQI-LLVKDONJSA-N 0 3 369.368 2.943 20 5 FFBDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485599296 515106884 /nfs/dbraw/zinc/10/68/84/515106884.db2.gz LXOQHFQAJSXHQI-NSHDSACASA-N 0 3 369.368 2.943 20 5 FFBDHN C[C@H](N[C@H]1CCN(C(=O)COc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000509531888 515221587 /nfs/dbraw/zinc/22/15/87/515221587.db2.gz GTOXLHXDKUGNIN-RDJZCZTQSA-N 0 3 369.421 2.925 20 5 FFBDHN C[C@H]1CCCN(CCNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000486269624 515410664 /nfs/dbraw/zinc/41/06/64/515410664.db2.gz NAVSUVJIOIHQLH-ZDUSSCGKSA-N 0 3 368.865 2.822 20 5 FFBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1ccco1)N(C)C ZINC000499973416 515542579 /nfs/dbraw/zinc/54/25/79/515542579.db2.gz BZSXMPHKRGDWNA-CJNGLKHVSA-N 0 3 360.414 2.797 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](NC[C@H](CO)[C@H]2CCOC2)c2ccccc2)c1 ZINC000482004365 515543565 /nfs/dbraw/zinc/54/35/65/515543565.db2.gz WHOBXYVIRNJELQ-NLWGTHIKSA-N 0 3 356.422 2.919 20 5 FFBDHN CCC[C@H]1CN(Cc2ccc([N+](=O)[O-])c(OCC)c2)CCN1CCOC ZINC000492718727 515557853 /nfs/dbraw/zinc/55/78/53/515557853.db2.gz BMTRCONAQVWMHJ-KRWDZBQOSA-N 0 3 365.474 2.926 20 5 FFBDHN CC(C)N1CC[C@H](N(C)C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000457081581 515633708 /nfs/dbraw/zinc/63/37/08/515633708.db2.gz DGAPUWDNYQDLQR-AWEZNQCLSA-N 0 3 351.422 2.953 20 5 FFBDHN CN(C)CCOc1cccc(NC(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000500274866 515652171 /nfs/dbraw/zinc/65/21/71/515652171.db2.gz SSVOJTLLHUSTQZ-UHFFFAOYSA-N 0 3 359.382 2.553 20 5 FFBDHN COc1cnccc1N1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000510807356 515675615 /nfs/dbraw/zinc/67/56/15/515675615.db2.gz AZGPHLORDMJQMD-UHFFFAOYSA-N 0 3 364.352 2.599 20 5 FFBDHN COc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000494006101 515710902 /nfs/dbraw/zinc/71/09/02/515710902.db2.gz GEEPOXXILYVORV-PBHICJAKSA-N 0 3 369.421 2.996 20 5 FFBDHN CN(Cc1cccc2[nH]ccc21)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000494104634 515734552 /nfs/dbraw/zinc/73/45/52/515734552.db2.gz DXNAGXKBYCWCBK-INIZCTEOSA-N 0 3 355.394 2.948 20 5 FFBDHN CN(CCOc1ccc(Br)cc1)CCn1ccc([N+](=O)[O-])n1 ZINC000478421964 515816611 /nfs/dbraw/zinc/81/66/11/515816611.db2.gz BHFILJQJRXYASS-UHFFFAOYSA-N 0 3 369.219 2.565 20 5 FFBDHN COC(=O)COc1ccc(CN[C@@H]2CC(C)(C)OC2(C)C)cc1[N+](=O)[O-] ZINC000473990406 515832679 /nfs/dbraw/zinc/83/26/79/515832679.db2.gz VIWYPLHGUCHHEP-OAHLLOKOSA-N 0 3 366.414 2.582 20 5 FFBDHN C[C@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000511564024 515946170 /nfs/dbraw/zinc/94/61/70/515946170.db2.gz YWGVXOOONNGVDY-MRXNPFEDSA-N 0 3 362.474 2.899 20 5 FFBDHN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000460215056 516071699 /nfs/dbraw/zinc/07/16/99/516071699.db2.gz PXTNQDGXPKFQNH-KBPBESRZSA-N 0 3 358.446 2.792 20 5 FFBDHN CC1CCN([C@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)c2ccccc2)CC1 ZINC000507506410 516227614 /nfs/dbraw/zinc/22/76/14/516227614.db2.gz MTVGAHLGECAPQY-MRXNPFEDSA-N 0 3 357.414 2.521 20 5 FFBDHN O=C(NCc1ccccc1CN1CCCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000543766458 516419256 /nfs/dbraw/zinc/41/92/56/516419256.db2.gz WVUAVQLSIFZDLR-UHFFFAOYSA-N 0 3 369.425 2.719 20 5 FFBDHN CCCN(CCN1CCCCC1)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000513123536 516483406 /nfs/dbraw/zinc/48/34/06/516483406.db2.gz VHTUNBDCOWSFRS-UHFFFAOYSA-N 0 3 362.474 2.756 20 5 FFBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000557877165 516484051 /nfs/dbraw/zinc/48/40/51/516484051.db2.gz AKYCUOJHBRQFFU-HZPDHXFCSA-N 0 3 362.474 2.899 20 5 FFBDHN CC(C)Oc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)N(C)C)cc1 ZINC000557934168 516513787 /nfs/dbraw/zinc/51/37/87/516513787.db2.gz DARJVYBOGQVXRJ-GOSISDBHSA-N 0 3 372.425 2.810 20 5 FFBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000558025813 516556093 /nfs/dbraw/zinc/55/60/93/516556093.db2.gz PJABPCLXYPXXEH-ZOBUZTSGSA-N 0 3 361.442 2.552 20 5 FFBDHN CN1CCN([C@@H](CNCc2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000540481419 516574713 /nfs/dbraw/zinc/57/47/13/516574713.db2.gz PLVSMSZSICXOCQ-KRWDZBQOSA-N 0 3 360.483 2.735 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](O)COc1ccc2c(c1)OCO2 ZINC000531695104 516600018 /nfs/dbraw/zinc/60/00/18/516600018.db2.gz BDVYUQFWSGMKMT-ZFWWWQNUSA-N 0 3 374.393 2.722 20 5 FFBDHN CCc1ccc([C@H]2CCCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000513400943 516607332 /nfs/dbraw/zinc/60/73/32/516607332.db2.gz IGAWCINNALTFLK-HKUYNNGSSA-N 0 3 358.442 2.594 20 5 FFBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@@H](C)C1 ZINC000561762683 516758027 /nfs/dbraw/zinc/75/80/27/516758027.db2.gz PTYKIIXRYKWZSH-OGHNNQOOSA-N 0 3 356.426 2.878 20 5 FFBDHN CCO[C@@H]1C[C@@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C1(CC)CC ZINC000536426736 516759360 /nfs/dbraw/zinc/75/93/60/516759360.db2.gz OYUBRDZAQUSDQY-HZPDHXFCSA-N 0 3 351.447 2.672 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])c(NCc2ccccc2CN2CC[C@@H](O)C2)n1 ZINC000541004454 516826326 /nfs/dbraw/zinc/82/63/26/516826326.db2.gz CBOAXEPLKXDMPR-QGZVFWFLSA-N 0 3 356.426 2.785 20 5 FFBDHN C[C@@H]1CCCCN1CCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541014509 516830970 /nfs/dbraw/zinc/83/09/70/516830970.db2.gz SNBILQHBBHLWEM-LLVKDONJSA-N 0 3 357.357 2.800 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1CNCCCN1C(=O)NC2(CCCCC2)C1=O ZINC000544610103 516835808 /nfs/dbraw/zinc/83/58/08/516835808.db2.gz KIAXEGBHSUDFKR-UHFFFAOYSA-N 0 3 374.441 2.638 20 5 FFBDHN C[C@@H](C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000519062489 516872708 /nfs/dbraw/zinc/87/27/08/516872708.db2.gz YXEGNPXYDUZUNO-OWCLPIDISA-N 0 3 363.458 2.704 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(OCCN(C)C)cc2)c1 ZINC000541114864 516882640 /nfs/dbraw/zinc/88/26/40/516882640.db2.gz MODDODSLRACMFL-UHFFFAOYSA-N 0 3 373.409 2.934 20 5 FFBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514212111 516905097 /nfs/dbraw/zinc/90/50/97/516905097.db2.gz BGRPBSFYODNNDO-LLVKDONJSA-N 0 3 357.357 2.610 20 5 FFBDHN COc1ccc(OCCN(Cc2ccccc2)C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000525274436 516990500 /nfs/dbraw/zinc/99/05/00/516990500.db2.gz KBORMWSIPOZHLJ-OAHLLOKOSA-N 0 3 360.410 2.865 20 5 FFBDHN Cc1nc2sccn2c(=O)c1CCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000551968624 516996223 /nfs/dbraw/zinc/99/62/23/516996223.db2.gz PLJXGHFDTXIEAP-UHFFFAOYSA-N 0 3 370.434 2.573 20 5 FFBDHN COc1ccc(CNC[C@H](O)COc2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000514720708 517022516 /nfs/dbraw/zinc/02/25/16/517022516.db2.gz WXBUTOOYCWVPAM-INIZCTEOSA-N 0 3 360.410 2.750 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NCCCN1CCN(c2ccncc2)CC1 ZINC000548613458 517088000 /nfs/dbraw/zinc/08/80/00/517088000.db2.gz ZCBOZAWVCYTRRW-UHFFFAOYSA-N 0 3 355.442 2.922 20 5 FFBDHN O=C(CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccccc1 ZINC000532707325 517107306 /nfs/dbraw/zinc/10/73/06/517107306.db2.gz WIYPWRLWRZBVQW-HNNXBMFYSA-N 0 3 355.398 2.505 20 5 FFBDHN C[C@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCCCC1 ZINC000541564633 517114561 /nfs/dbraw/zinc/11/45/61/517114561.db2.gz ANXKFIXFHNAYTC-AWEZNQCLSA-N 0 3 369.487 2.822 20 5 FFBDHN CS[C@@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@@H]1N1CCCC1 ZINC000519712380 517142512 /nfs/dbraw/zinc/14/25/12/517142512.db2.gz XXXWSIZSLDWJGQ-DLBZAZTESA-N 0 3 362.499 2.885 20 5 FFBDHN COc1ccc(OC)c(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000548761778 517197700 /nfs/dbraw/zinc/19/77/00/517197700.db2.gz YJDSGFKYUIYDLB-UHFFFAOYSA-N 0 3 359.382 2.730 20 5 FFBDHN O=C1C[C@]2(CN1)CCCN(Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)C2 ZINC000537615559 517259745 /nfs/dbraw/zinc/25/97/45/517259745.db2.gz YEBSVMGZIFETFK-IBGZPJMESA-N 0 3 355.394 2.957 20 5 FFBDHN C[C@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000526115948 517351557 /nfs/dbraw/zinc/35/15/57/517351557.db2.gz NTYSQLSCEVBXGZ-CYBMUJFWSA-N 0 3 366.414 2.901 20 5 FFBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000520760072 517502296 /nfs/dbraw/zinc/50/22/96/517502296.db2.gz KSYTXNIOIUORNK-HUUCEWRRSA-N 0 3 371.441 2.773 20 5 FFBDHN [NH3+][C@H]1CCCCCC[C@H]1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000563062983 517626161 /nfs/dbraw/zinc/62/61/61/517626161.db2.gz KNCSWTLTHAIYMJ-CABCVRRESA-N 0 3 357.414 2.643 20 5 FFBDHN CCOc1cc(N2CCN(C[C@H]3CCCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000563220383 517748915 /nfs/dbraw/zinc/74/89/15/517748915.db2.gz MGUZNOWUPIQAED-CRAIPNDOSA-N 0 3 363.458 2.667 20 5 FFBDHN O=C1[C@H](N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000549920087 517782489 /nfs/dbraw/zinc/78/24/89/517782489.db2.gz PHFCICVHZVRKJG-TVFCKZIOSA-N 0 3 371.437 2.637 20 5 FFBDHN CCCN1CCC[C@H]1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000563302297 517807072 /nfs/dbraw/zinc/80/70/72/517807072.db2.gz GJHOHUXRCIWTHJ-INIZCTEOSA-N 0 3 360.458 2.799 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2ccc(OC(F)F)cc2)c1 ZINC000550085743 517855355 /nfs/dbraw/zinc/85/53/55/517855355.db2.gz NRYQLLAWLOPYFO-CQSZACIVSA-N 0 3 368.336 2.726 20 5 FFBDHN CC(C)c1ccc(C(=O)Nc2ccc(N3CCNCC3)cn2)cc1[N+](=O)[O-] ZINC000516921449 517915838 /nfs/dbraw/zinc/91/58/38/517915838.db2.gz BQKLGZBSHRUMIW-UHFFFAOYSA-N 0 3 369.425 2.775 20 5 FFBDHN CCN(C[C@@H]1CCCN1CC)C(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000560744588 518000015 /nfs/dbraw/zinc/00/00/15/518000015.db2.gz PBHOZWWDXVQOGI-ZDUSSCGKSA-N 0 3 367.421 2.618 20 5 FFBDHN Cc1cc(OCC(=O)NC[C@H](c2ccccc2)N(C)C)ccc1[N+](=O)[O-] ZINC000563717706 518088191 /nfs/dbraw/zinc/08/81/91/518088191.db2.gz XHYUZDRZMLEIEG-GOSISDBHSA-N 0 3 357.410 2.701 20 5 FFBDHN CN(CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)Cc1ccccc1 ZINC000534967141 518102379 /nfs/dbraw/zinc/10/23/79/518102379.db2.gz DMAQFJCJCJFMFZ-UHFFFAOYSA-N 0 3 352.394 2.938 20 5 FFBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000547421414 518131215 /nfs/dbraw/zinc/13/12/15/518131215.db2.gz DXXOWBCDIGGVOL-QGZVFWFLSA-N 0 3 358.442 2.820 20 5 FFBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000522828817 518167245 /nfs/dbraw/zinc/16/72/45/518167245.db2.gz MMLNNUNWKKXVOG-KRWDZBQOSA-N 0 3 354.410 2.518 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1ccc(F)c(Cl)c1 ZINC000578521929 518250216 /nfs/dbraw/zinc/25/02/16/518250216.db2.gz STXODDFIIFYAEY-LBPRGKRZSA-N 0 3 354.765 2.917 20 5 FFBDHN CCN(C[C@H]1CCCN1CC)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000579026172 518486180 /nfs/dbraw/zinc/48/61/80/518486180.db2.gz LYVFFDAPHJETRB-GOSISDBHSA-N 0 3 371.441 2.727 20 5 FFBDHN CC(C)(C)c1ccncc1CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000579104000 518523643 /nfs/dbraw/zinc/52/36/43/518523643.db2.gz ZAWUXKWRLSBKHR-HNNXBMFYSA-N 0 3 359.426 2.817 20 5 FFBDHN CN(C)[C@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000573598311 518743997 /nfs/dbraw/zinc/74/39/97/518743997.db2.gz YNCLTPLLVSGNBV-QGZVFWFLSA-N 0 3 363.364 2.835 20 5 FFBDHN NC[C@H]1c2ccccc2CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000567895207 518771952 /nfs/dbraw/zinc/77/19/52/518771952.db2.gz ALIPCQKJRMUMBB-KRWDZBQOSA-N 0 3 365.393 2.703 20 5 FFBDHN CC(C)CN1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C2CC2)CC1 ZINC000565126047 518799707 /nfs/dbraw/zinc/79/97/07/518799707.db2.gz JHMBMUNEUIWNTQ-UHFFFAOYSA-N 0 3 370.457 2.966 20 5 FFBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2cnn(CC(F)(F)F)c2)n1 ZINC000577051049 518891021 /nfs/dbraw/zinc/89/10/21/518891021.db2.gz GRMDYJCYDFBRGH-STQMWFEESA-N 0 3 372.351 2.824 20 5 FFBDHN Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)ccc1CN(C)C ZINC000574162171 519017476 /nfs/dbraw/zinc/01/74/76/519017476.db2.gz QLTHMBFFHRXTGG-UHFFFAOYSA-N 0 3 371.393 2.988 20 5 FFBDHN C[C@@H](C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000577338972 519028660 /nfs/dbraw/zinc/02/86/60/519028660.db2.gz FKVNDYPICYXYEN-KUHUBIRLSA-N 0 3 369.421 2.904 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCN1C ZINC000583057226 519053245 /nfs/dbraw/zinc/05/32/45/519053245.db2.gz LDXZDONIXGXTSP-UWVGGRQHSA-N 0 3 358.345 2.800 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCN1C ZINC000583057227 519053831 /nfs/dbraw/zinc/05/38/31/519053831.db2.gz LDXZDONIXGXTSP-VHSXEESVSA-N 0 3 358.345 2.800 20 5 FFBDHN NC[C@H]1c2ccccc2CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000571443701 519098838 /nfs/dbraw/zinc/09/88/38/519098838.db2.gz JWPZRTPPDXQPIL-IBGZPJMESA-N 0 3 366.421 2.867 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(F)(F)[C@H](C)C1 ZINC000583232106 519140433 /nfs/dbraw/zinc/14/04/33/519140433.db2.gz VAHGXHGJKFEXOL-LLVKDONJSA-N 0 3 357.357 2.909 20 5 FFBDHN CSC1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCN(C)CC1 ZINC000580501512 519205944 /nfs/dbraw/zinc/20/59/44/519205944.db2.gz HJFYGRIZSCJANG-UHFFFAOYSA-N 0 3 352.460 2.852 20 5 FFBDHN CCN1CCN(CC(C)(C)Nc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000577817211 519268496 /nfs/dbraw/zinc/26/84/96/519268496.db2.gz BQLOOBGJXZKEDJ-UHFFFAOYSA-N 0 3 357.458 2.971 20 5 FFBDHN Cc1nc2ccccn2c(=O)c1CCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000580678164 519295851 /nfs/dbraw/zinc/29/58/51/519295851.db2.gz ICCJCTPMVORFJQ-UHFFFAOYSA-N 0 3 364.405 2.512 20 5 FFBDHN CN(CCOc1cccc([N+](=O)[O-])c1)CCn1cc(Br)cn1 ZINC000569031421 519340537 /nfs/dbraw/zinc/34/05/37/519340537.db2.gz SLINJXWSGXAPFO-UHFFFAOYSA-N 0 3 369.219 2.565 20 5 FFBDHN Cc1ccnc([C@H]2CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)c1 ZINC000566429321 519488170 /nfs/dbraw/zinc/48/81/70/519488170.db2.gz SNYLECDLDHUMCB-JKSUJKDBSA-N 0 3 357.410 2.527 20 5 FFBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@@H](c2ccncc2)C1 ZINC000581141063 519543681 /nfs/dbraw/zinc/54/36/81/519543681.db2.gz UPHDIIGMYOWNSR-OAHLLOKOSA-N 0 3 368.393 2.777 20 5 FFBDHN COc1c(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000581213264 519578916 /nfs/dbraw/zinc/57/89/16/519578916.db2.gz YBGNYAITGNVNLH-RHSMWYFYSA-N 0 3 369.421 2.996 20 5 FFBDHN COc1cc(CN[C@@H](C)CN(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000581260619 519603237 /nfs/dbraw/zinc/60/32/37/519603237.db2.gz JTOZDDKPEJLFMS-JTQLQIEISA-N 0 3 365.352 2.584 20 5 FFBDHN COc1cc(CN2CCCN(c3ccncc3)CC2)c([N+](=O)[O-])cc1F ZINC000602848062 519923671 /nfs/dbraw/zinc/92/36/71/519923671.db2.gz ZPVMRHDWKBUFKN-UHFFFAOYSA-N 0 3 360.389 2.850 20 5 FFBDHN CCN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000599985356 519985512 /nfs/dbraw/zinc/98/55/12/519985512.db2.gz CYIQGGNSVXRWMK-UHFFFAOYSA-N 0 3 357.357 2.753 20 5 FFBDHN CN1Cc2ccccc2[C@@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000591757271 520024732 /nfs/dbraw/zinc/02/47/32/520024732.db2.gz HQSBKQMPWYUVAQ-KRWDZBQOSA-N 0 3 354.410 2.700 20 5 FFBDHN C[C@]1(CO)CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@]1(C)CO ZINC000600204459 520122279 /nfs/dbraw/zinc/12/22/79/520122279.db2.gz PSDXLGGUHTXATR-KDURUIRLSA-N 0 3 360.410 2.668 20 5 FFBDHN CC[C@H]1CN(C)CCCN1C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000597606073 520132675 /nfs/dbraw/zinc/13/26/75/520132675.db2.gz UGJOWSRXPGSRPW-OCCSQVGLSA-N 0 3 369.849 2.958 20 5 FFBDHN Cc1c(C(=O)NCCc2ccc(OCCN(C)C)cc2)cccc1[N+](=O)[O-] ZINC000609182363 520223185 /nfs/dbraw/zinc/22/31/85/520223185.db2.gz TWQSSXJZPWNVHD-UHFFFAOYSA-N 0 3 371.437 2.816 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC3(CC=CC3)[C@@H]2c2ccccc2)c1 ZINC000592188895 520254741 /nfs/dbraw/zinc/25/47/41/520254741.db2.gz UWPQXAWUOYXXKM-MSOLQXFVSA-N 0 3 354.410 2.546 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000595027231 520261818 /nfs/dbraw/zinc/26/18/18/520261818.db2.gz QSXAAFLVZDSKLK-UONOGXRCSA-N 0 3 359.430 2.657 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000595038293 520265066 /nfs/dbraw/zinc/26/50/66/520265066.db2.gz IUQMBTNGEUWONI-DEYYWGMASA-N 0 3 364.442 2.822 20 5 FFBDHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@@H]1CCN1C1CCCC1 ZINC000600470964 520278906 /nfs/dbraw/zinc/27/89/06/520278906.db2.gz QGPMQYSPWXFOLQ-LBPRGKRZSA-N 0 3 353.369 2.549 20 5 FFBDHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@H]1CCN1C1CCCC1 ZINC000600470963 520279304 /nfs/dbraw/zinc/27/93/04/520279304.db2.gz QGPMQYSPWXFOLQ-GFCCVEGCSA-N 0 3 353.369 2.549 20 5 FFBDHN COc1ccc(CN(C)C)cc1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000603589963 520317688 /nfs/dbraw/zinc/31/76/88/520317688.db2.gz UGDNNYSEPFYCJW-UHFFFAOYSA-N 0 3 359.382 2.683 20 5 FFBDHN CC(C)(C)N1CC[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000597925400 520326489 /nfs/dbraw/zinc/32/64/89/520326489.db2.gz OMRXELAHDOEVAO-INIZCTEOSA-N 0 3 374.485 2.800 20 5 FFBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000609509298 520337021 /nfs/dbraw/zinc/33/70/21/520337021.db2.gz NMUUMCBCYDROIU-RISCZKNCSA-N 0 3 367.833 2.711 20 5 FFBDHN CC[C@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000609545878 520353483 /nfs/dbraw/zinc/35/34/83/520353483.db2.gz QZCVDDBAURIGFN-AWEZNQCLSA-N 0 3 369.487 2.774 20 5 FFBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000613225019 520397331 /nfs/dbraw/zinc/39/73/31/520397331.db2.gz QOBYMBJFXUKEKU-KRWDZBQOSA-N 0 3 368.437 2.907 20 5 FFBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609731664 520416380 /nfs/dbraw/zinc/41/63/80/520416380.db2.gz HOWOVHWYTCSVTD-CYBMUJFWSA-N 0 3 369.849 2.817 20 5 FFBDHN C[C@H]1CCN(C)CCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609731937 520416441 /nfs/dbraw/zinc/41/64/41/520416441.db2.gz QLADZQFQJRRKLK-LBPRGKRZSA-N 0 3 355.822 2.570 20 5 FFBDHN CCOc1cc(NC(=O)N[C@H]2CCCN(C)C2)c([N+](=O)[O-])cc1OCC ZINC000604230120 520495420 /nfs/dbraw/zinc/49/54/20/520495420.db2.gz SVJBGNIQYHEGND-LBPRGKRZSA-N 0 3 366.418 2.608 20 5 FFBDHN CCCN1CC[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000598341915 520564183 /nfs/dbraw/zinc/56/41/83/520564183.db2.gz IFQMAXHRPLDISZ-GFCCVEGCSA-N 0 3 357.863 2.941 20 5 FFBDHN CCCN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C1 ZINC000598343161 520566730 /nfs/dbraw/zinc/56/67/30/520566730.db2.gz TWJLOFARBBCURJ-NSHDSACASA-N 0 3 370.247 2.880 20 5 FFBDHN Cn1c(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000604472359 520570847 /nfs/dbraw/zinc/57/08/47/520570847.db2.gz SRTKLUGZJMRHNO-INIZCTEOSA-N 0 3 356.426 2.575 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H]2c2ccc(O)cc2)c1 ZINC000604484454 520575543 /nfs/dbraw/zinc/57/55/43/520575543.db2.gz OXEBWQAPJBAMPL-HKUYNNGSSA-N 0 3 358.394 2.877 20 5 FFBDHN C[C@H]1c2ccccc2C[C@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595703890 520662248 /nfs/dbraw/zinc/66/22/48/520662248.db2.gz BJBBBIHORQQTJA-SCLBCKFNSA-N 0 3 351.406 2.802 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@]2(C)CCCC[C@@H]2C(=O)OC)c1 ZINC000593019870 520687584 /nfs/dbraw/zinc/68/75/84/520687584.db2.gz RRWIVFLRUNGJQT-KDOFPFPSSA-N 0 3 364.398 2.593 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H]2CCN(C)[C@H]2c2ccccc2)c1 ZINC000593031406 520695178 /nfs/dbraw/zinc/69/51/78/520695178.db2.gz VZWVNRARLRIRBC-HKUYNNGSSA-N 0 3 369.421 2.916 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H]2CCCCC[C@H]2C(=O)OC)c1 ZINC000593031491 520695314 /nfs/dbraw/zinc/69/53/14/520695314.db2.gz GYKABTLIIWJJSI-CABCVRRESA-N 0 3 364.398 2.593 20 5 FFBDHN Cn1cc(C[C@H]2CCC[C@H]2NCc2nc3cc([N+](=O)[O-])ccc3o2)cn1 ZINC000595772434 520712345 /nfs/dbraw/zinc/71/23/45/520712345.db2.gz SSIRWKCVNDLLFC-UKRRQHHQSA-N 0 3 355.398 2.971 20 5 FFBDHN CC[C@H]1COC(C)(C)CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000593056653 520713850 /nfs/dbraw/zinc/71/38/50/520713850.db2.gz MNXHFGHDZQMWFB-ZDUSSCGKSA-N 0 3 365.430 2.821 20 5 FFBDHN COc1cc(CN[C@H]2CCC[C@H]2Cc2cnn(C)c2)c([N+](=O)[O-])cc1F ZINC000595774016 520714873 /nfs/dbraw/zinc/71/48/73/520714873.db2.gz ZDLLPEUQIHXBON-BBRMVZONSA-N 0 3 362.405 2.977 20 5 FFBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCC[C@@H]1Cc1ccccc1F ZINC000593080088 520729429 /nfs/dbraw/zinc/72/94/29/520729429.db2.gz DUAHSXIPFNYOMW-MRXNPFEDSA-N 0 3 359.401 2.993 20 5 FFBDHN CN(C)CCN(Cc1cccs1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593088175 520734608 /nfs/dbraw/zinc/73/46/08/520734608.db2.gz VYUPBUWROICKIM-UHFFFAOYSA-N 0 3 365.430 2.928 20 5 FFBDHN Cc1ccc(S(=O)(=O)N(C)[C@@H](C)C2CCN(C)CC2)c(C)c1[N+](=O)[O-] ZINC000598608897 520740975 /nfs/dbraw/zinc/74/09/75/520740975.db2.gz UKZDAGCIDXLHPU-AWEZNQCLSA-N 0 3 369.487 2.562 20 5 FFBDHN CN(c1ccccc1)[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000595825710 520749605 /nfs/dbraw/zinc/74/96/05/520749605.db2.gz FVCQERGXTLSCMK-RTBURBONSA-N 0 3 371.437 2.545 20 5 FFBDHN CCOc1ccc(NC(=O)CNC2(COC)CCCCC2)c([N+](=O)[O-])c1 ZINC000595910228 520814656 /nfs/dbraw/zinc/81/46/56/520814656.db2.gz RVPRSBTYLKGUPG-UHFFFAOYSA-N 0 3 365.430 2.871 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2nc(CNC3(CCO)CCOCC3)cs2)c1 ZINC000610771613 520837082 /nfs/dbraw/zinc/83/70/82/520837082.db2.gz AOKWMZIEOUQJSR-UHFFFAOYSA-N 0 3 363.439 2.740 20 5 FFBDHN COc1cc(CN(C)C)ccc1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000601619334 520866768 /nfs/dbraw/zinc/86/67/68/520866768.db2.gz BDTQYZJHZNADAZ-UHFFFAOYSA-N 0 3 358.398 2.716 20 5 FFBDHN COc1cc(CN(C)C)ccc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000601622112 520869793 /nfs/dbraw/zinc/86/97/93/520869793.db2.gz RNODYDRSVCCELX-UHFFFAOYSA-N 0 3 359.382 2.683 20 5 FFBDHN C[C@@H]1CN(C2CCOCC2)CCN1c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593467651 521013241 /nfs/dbraw/zinc/01/32/41/521013241.db2.gz CSMXBESHRDNJSU-CQSZACIVSA-N 0 3 356.426 2.833 20 5 FFBDHN Cc1ccc([C@H](C)NC[C@@H]2CN(Cc3ccncc3)CCO2)cc1[N+](=O)[O-] ZINC000599086955 521024388 /nfs/dbraw/zinc/02/43/88/521024388.db2.gz CXTKXNATZUHIOF-QFBILLFUSA-N 0 3 370.453 2.850 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCN(C3CCOCC3)CC2)nc1-c1ccccc1 ZINC000611182403 521028217 /nfs/dbraw/zinc/02/82/17/521028217.db2.gz ZLRMNRADORHZMO-UHFFFAOYSA-N 0 3 368.437 2.958 20 5 FFBDHN Cc1ccc(S(=O)(=O)N2CCCc3cccc(CN)c32)cc1[N+](=O)[O-] ZINC000599102655 521033425 /nfs/dbraw/zinc/03/34/25/521033425.db2.gz OCPLTJKXZMRXQM-UHFFFAOYSA-N 0 3 361.423 2.503 20 5 FFBDHN C[C@@](O)(C[C@H](O)CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000601966129 521045435 /nfs/dbraw/zinc/04/54/35/521045435.db2.gz PZOBNKWUYGXIKI-LSDHHAIUSA-N 0 3 362.348 2.615 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(NCc2ccc(CN3CC[C@H](O)C3)cc2)c1 ZINC000596422128 521062398 /nfs/dbraw/zinc/06/23/98/521062398.db2.gz AQBBNCHZRUGIEE-INIZCTEOSA-N 0 3 357.410 2.782 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1NCc1ccc(CN3CC[C@@H](O)C3)cc1)CCN2 ZINC000596424586 521065095 /nfs/dbraw/zinc/06/50/95/521065095.db2.gz SRCSDYZLNVEOHK-MRXNPFEDSA-N 0 3 368.437 2.742 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2csc(N3CCC(N4CC[C@H](O)C4)CC3)n2)cc1 ZINC000596539287 521121910 /nfs/dbraw/zinc/12/19/10/521121910.db2.gz OBZXUJRICGASOG-INIZCTEOSA-N 0 3 374.466 2.754 20 5 FFBDHN C[C@@H](CO)C1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000593677260 521148361 /nfs/dbraw/zinc/14/83/61/521148361.db2.gz WGVNUCGRFGFSHA-AWEZNQCLSA-N 0 3 358.442 2.836 20 5 FFBDHN CCN(C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCN(CC)C1 ZINC000596600814 521158510 /nfs/dbraw/zinc/15/85/10/521158510.db2.gz LGKLWIJRFNJEJU-MRXNPFEDSA-N 0 3 373.457 2.744 20 5 FFBDHN O=[N+]([O-])c1ccc(CCN2CCc3nnc(N4CCCC4)cc3C2)cc1 ZINC000596619182 521169889 /nfs/dbraw/zinc/16/98/89/521169889.db2.gz SKGYPAVFDJJWGI-UHFFFAOYSA-N 0 3 353.426 2.586 20 5 FFBDHN CCN1CCCC[C@H]1CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599437759 521223767 /nfs/dbraw/zinc/22/37/67/521223767.db2.gz LXFDJWFJGDSTSG-NSHDSACASA-N 0 3 370.247 2.962 20 5 FFBDHN CN(C)CCN(Cc1ccccn1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611711439 521292147 /nfs/dbraw/zinc/29/21/47/521292147.db2.gz NHYGOUBWKZIDEX-UHFFFAOYSA-N 0 3 352.398 2.501 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@]2(CO)CCCC(C)(C)C2)c1 ZINC000599594852 521318079 /nfs/dbraw/zinc/31/80/79/521318079.db2.gz MIKSTIQUOQCSBG-GOSISDBHSA-N 0 3 350.415 2.802 20 5 FFBDHN COC(=O)[C@](C)(NCCN1C[C@@H](C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599651153 521361443 /nfs/dbraw/zinc/36/14/43/521361443.db2.gz HLBHHIAMIPDAES-YZVOILCLSA-N 0 3 363.458 2.551 20 5 FFBDHN COc1ccc(OC)c(CNC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000602508137 521386727 /nfs/dbraw/zinc/38/67/27/521386727.db2.gz TUZOUOOXRAHJNV-UHFFFAOYSA-N 0 3 372.425 2.766 20 5 FFBDHN O=[N+]([O-])c1ccc2oc(CNC3CCN(Cc4ccncc4)CC3)nc2c1 ZINC000602520220 521391626 /nfs/dbraw/zinc/39/16/26/521391626.db2.gz LGNVEAABVBFDLH-UHFFFAOYSA-N 0 3 367.409 2.885 20 5 FFBDHN CC(=O)N1CCC[C@H](CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602637935 521452202 /nfs/dbraw/zinc/45/22/02/521452202.db2.gz KOWPEXQDFOUZSM-GFCCVEGCSA-N 0 3 359.348 2.962 20 5 FFBDHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594198648 521465047 /nfs/dbraw/zinc/46/50/47/521465047.db2.gz UGOKFLHPTHOFOL-HZPDHXFCSA-N 0 3 353.369 2.549 20 5 FFBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000594198713 521465098 /nfs/dbraw/zinc/46/50/98/521465098.db2.gz VFPGQRSUYZPBKF-GOEBONIOSA-N 0 3 369.425 2.527 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(OCCc2ccccc2)CC1 ZINC000602767294 521521265 /nfs/dbraw/zinc/52/12/65/521521265.db2.gz DCJXFJLEHOETDH-UHFFFAOYSA-N 0 3 358.442 2.823 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(c2c[nH]c3ncccc23)CC1 ZINC000602791998 521534548 /nfs/dbraw/zinc/53/45/48/521534548.db2.gz ZHOLMHHWJSBIAA-UHFFFAOYSA-N 0 3 354.414 2.856 20 5 FFBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594284312 521537233 /nfs/dbraw/zinc/53/72/33/521537233.db2.gz VQXCHRPTSIPMBW-FUHWJXTLSA-N 0 3 360.458 2.796 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000602804516 521541681 /nfs/dbraw/zinc/54/16/81/521541681.db2.gz IWKMNVLLIXDYKB-GOSISDBHSA-N 0 3 358.398 2.612 20 5 FFBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCN([C@H]2CCCN(C)C2)CC1 ZINC000615835652 521551480 /nfs/dbraw/zinc/55/14/80/521551480.db2.gz XVAUGACNKLJICN-QUHSPFQSSA-N 0 3 358.486 2.710 20 5 FFBDHN C[C@@](O)(CO)CNCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000619464225 521582279 /nfs/dbraw/zinc/58/22/79/521582279.db2.gz ATAZVRBKNREGPJ-KRWDZBQOSA-N 0 3 366.801 2.873 20 5 FFBDHN COC(=O)C1CCN(CCCNc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000473508387 561051448 /nfs/dbraw/zinc/05/14/48/561051448.db2.gz ATYBDIHMWNKEEF-UHFFFAOYSA-N 0 3 372.425 2.830 20 5 FFBDHN C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824598730 608484691 /nfs/dbraw/zinc/48/46/91/608484691.db2.gz HXZSDXIYDCWUDF-LBPRGKRZSA-N 0 3 354.370 2.505 20 5 FFBDHN C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824598730 608484692 /nfs/dbraw/zinc/48/46/92/608484692.db2.gz HXZSDXIYDCWUDF-LBPRGKRZSA-N 0 3 354.370 2.505 20 5 FFBDHN Cc1ccc([C@@H](C)[NH2+]CCOc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826283140 608553957 /nfs/dbraw/zinc/55/39/57/608553957.db2.gz LKZAGNZMXFTRIX-CYBMUJFWSA-N 0 3 368.397 2.813 20 5 FFBDHN Cc1ccc([C@@H](C)[NH2+]CCOc2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826283140 608553958 /nfs/dbraw/zinc/55/39/58/608553958.db2.gz LKZAGNZMXFTRIX-CYBMUJFWSA-N 0 3 368.397 2.813 20 5 FFBDHN COCCO[C@]12CCC[C@@]1(NCc1ccc(C)c([N+](=O)[O-])c1)CCO2 ZINC000898001669 735302177 /nfs/dbraw/zinc/30/21/77/735302177.db2.gz PSZFBPSVJSTZCW-QZTJIDSGSA-N 0 3 350.415 2.695 20 5 FFBDHN CCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000041678274 727945525 /nfs/dbraw/zinc/94/55/25/727945525.db2.gz AIUSCHQLEIUZMP-UHFFFAOYSA-N 0 3 358.236 2.771 20 5 FFBDHN CN(C)CCN(Cc1cccs1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000084251343 728418713 /nfs/dbraw/zinc/41/87/13/728418713.db2.gz AXEWEXNSMPRBNP-UHFFFAOYSA-N 0 3 351.403 2.999 20 5 FFBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@H](O)c3ccc(Cl)cc3)C2)nc1 ZINC000173462999 729047726 /nfs/dbraw/zinc/04/77/26/729047726.db2.gz HSMKHPHUIUAFNR-HOCLYGCPSA-N 0 3 362.817 2.863 20 5 FFBDHN CCN1CCN(CCCNc2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856723361 730350047 /nfs/dbraw/zinc/35/00/47/730350047.db2.gz OUCHQFOILZZJFY-UHFFFAOYSA-N 0 3 371.279 2.797 20 5 FFBDHN C[C@H](N[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000859825703 730466794 /nfs/dbraw/zinc/46/67/94/730466794.db2.gz NLKKVOJYGGJHJE-AOVQSLKQSA-N 0 3 355.822 2.977 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1ccns1 ZINC000860054337 730474551 /nfs/dbraw/zinc/47/45/51/730474551.db2.gz JTOISKVDUHIQDM-SNVBAGLBSA-N 0 3 350.400 2.739 20 5 FFBDHN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NCCS(=O)(=O)c1ccccc1 ZINC000866241763 731043139 /nfs/dbraw/zinc/04/31/39/731043139.db2.gz GMNUMHCHLVISAF-ZDUSSCGKSA-N 0 3 366.414 2.728 20 5 FFBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000874839384 732106390 /nfs/dbraw/zinc/10/63/90/732106390.db2.gz VUGGBBUYMZQSCG-KBPBESRZSA-N 0 3 368.231 2.666 20 5 FFBDHN COc1ccc(CNC[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)cc1[N+](=O)[O-] ZINC000886340330 733775784 /nfs/dbraw/zinc/77/57/84/733775784.db2.gz FJZPPDNNKNFZBU-ACXGAUJLSA-N 0 3 350.415 2.666 20 5 FFBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000893601815 734725334 /nfs/dbraw/zinc/72/53/34/734725334.db2.gz JLIOJJYXIARYQW-GJZGRUSLSA-N 0 3 352.822 2.626 20 5 FFBDHN COc1cc([C@@H](C)NC[C@H]2CCC3(CCOCC3)O2)cc([N+](=O)[O-])c1 ZINC000903226709 736060089 /nfs/dbraw/zinc/06/00/89/736060089.db2.gz MGOQTDBXWRNICK-CZUORRHYSA-N 0 3 350.415 2.982 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC1(C2(O)CCOCC2)CC1 ZINC000903346636 736078328 /nfs/dbraw/zinc/07/83/28/736078328.db2.gz LSGISVRHZXJKOJ-ZDUSSCGKSA-N 0 3 350.415 2.576 20 5 FFBDHN C[C@H]1CCCN1CCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000760874715 736676468 /nfs/dbraw/zinc/67/64/68/736676468.db2.gz ZFEHTEQBSXZQSV-JTQLQIEISA-N 0 3 356.220 2.571 20 5 FFBDHN CN1C[C@@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)[C@@H]2C1 ZINC000930767461 739159850 /nfs/dbraw/zinc/15/98/50/739159850.db2.gz GOKOQHWBMVSXDQ-TVQRCGJNSA-N 0 3 358.320 2.781 20 5 FFBDHN CN1C[C@H]2[C@@H](CCN2C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000931335582 739247377 /nfs/dbraw/zinc/24/73/77/739247377.db2.gz XYGKAMFIFBCQKM-ZANVPECISA-N 0 3 369.219 2.525 20 5 FFBDHN CCOC(=O)C1([C@@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000933882609 739700836 /nfs/dbraw/zinc/70/08/36/739700836.db2.gz SOBKPCWGLFQLRY-ZIAGYGMSSA-N 0 3 350.415 2.994 20 5 FFBDHN COc1cnccc1N1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000793369016 739774746 /nfs/dbraw/zinc/77/47/46/739774746.db2.gz ALNAIILETNAMNT-UHFFFAOYSA-N 0 3 362.817 2.974 20 5 FFBDHN C[C@H](NC[C@H](O)CCNC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000794458972 739894280 /nfs/dbraw/zinc/89/42/80/739894280.db2.gz RMMMCHSYSNAHIB-SWLSCSKDSA-N 0 3 353.419 2.521 20 5 FFBDHN Cc1ncsc1-c1nc2ccccc2n1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813102958 741676832 /nfs/dbraw/zinc/67/68/32/741676832.db2.gz WUHBFGMWPOZWGX-JTQLQIEISA-N 0 3 360.395 2.677 20 5 FFBDHN CC(COC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)[N+](=O)[O-] ZINC000813102923 741676876 /nfs/dbraw/zinc/67/68/76/741676876.db2.gz LSCDKRSFMABBOL-MRVPVSSYSA-N 0 3 357.775 2.691 20 5 FFBDHN COc1ccc(-c2nc(C)c(C(=O)OCC(C)[N+](=O)[O-])s2)cc1OC ZINC000813100139 741676913 /nfs/dbraw/zinc/67/69/13/741676913.db2.gz NOCAIMOGVOTPFK-SECBINFHSA-N 0 3 366.395 2.958 20 5 FFBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1OCc1cscn1 ZINC000813106480 741677245 /nfs/dbraw/zinc/67/72/45/741677245.db2.gz CRGYGHSTDQFTAG-JTQLQIEISA-N 0 3 352.368 2.553 20 5 FFBDHN CC(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)[N+](=O)[O-] ZINC000813105119 741677497 /nfs/dbraw/zinc/67/74/97/741677497.db2.gz JQFRSFRWCKFABS-SNVBAGLBSA-N 0 3 361.320 2.525 20 5 FFBDHN Cc1cc([C@H](N)CC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc(Cl)n1 ZINC000827544112 743598391 /nfs/dbraw/zinc/59/83/91/743598391.db2.gz WBBKYBAYLJJPDU-OAHLLOKOSA-N 0 3 362.817 2.700 20 5 FFBDHN CCN(CC)CC(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000839863473 746945903 /nfs/dbraw/zinc/94/59/03/746945903.db2.gz ITWOLKUZJMLEOU-CYBMUJFWSA-N 0 3 351.300 2.795 20 5 FFBDHN Cc1c(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])nnn1C(C)C ZINC000845882903 748344200 /nfs/dbraw/zinc/34/42/00/748344200.db2.gz QCMGKHKCYHLGES-XHDPSFHLSA-N 0 3 350.350 2.870 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCC[S@@](=O)CC(F)(F)F)CCC2 ZINC000850497555 749376144 /nfs/dbraw/zinc/37/61/44/749376144.db2.gz VIBHSLIYJMMYMC-ZAMGYDSWSA-N 0 3 350.362 2.873 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000134886665 960093285 /nfs/dbraw/zinc/09/32/85/960093285.db2.gz ZJZYVWCVHAPDSK-XJKSGUPXSA-N 0 3 354.410 2.691 20 5 FFBDHN Cc1ccc(CNC(=O)CC2(N3CCOCC3)CCCC2)cc1[N+](=O)[O-] ZINC000825647006 1013352328 /nfs/dbraw/zinc/35/23/28/1013352328.db2.gz BOVVNZQUYCOYPU-UHFFFAOYSA-N 0 3 361.442 2.555 20 5 FFBDHN COc1c(O)ccc(CN(C)CCCN(C)Cc2ccco2)c1[N+](=O)[O-] ZINC000894434519 965370097 /nfs/dbraw/zinc/37/00/97/965370097.db2.gz DNWKBZGVUNBRDX-UHFFFAOYSA-N 0 3 363.414 2.856 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CN1C1CC1 ZINC000177132674 969060754 /nfs/dbraw/zinc/06/07/54/969060754.db2.gz DIXHNCBAMZVSOI-LSDHHAIUSA-N 0 3 372.469 2.940 20 5 FFBDHN COc1cccc(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000192752119 975626014 /nfs/dbraw/zinc/62/60/14/975626014.db2.gz ZEINMMLMDHDSRH-ZBFHGGJFSA-N 0 3 369.421 2.996 20 5 FFBDHN Cc1c(C(=O)NCCN2CCCC[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000126244638 977998317 /nfs/dbraw/zinc/99/83/17/977998317.db2.gz OPTXAPGLTMZHHX-LLVKDONJSA-N 0 3 364.402 2.724 20 5 FFBDHN O=[N+]([O-])c1ccccc1NCCc1noc(C23CCCN(CCC2)C3)n1 ZINC000904000753 980155198 /nfs/dbraw/zinc/15/51/98/980155198.db2.gz AVBPBRORFQLRRP-UHFFFAOYSA-N 0 3 357.414 2.760 20 5 FFBDHN COC(=O)c1cc2n(n1)CCC[C@H]2NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000897984599 982581697 /nfs/dbraw/zinc/58/16/97/982581697.db2.gz BKESHMSGCCRIOA-HJHHMULASA-N 0 3 356.382 2.716 20 5 FFBDHN O=C(NC[C@H]1CCCCN1C1CC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000765795038 985859827 /nfs/dbraw/zinc/85/98/27/985859827.db2.gz DQUPNFUDPUDLQT-QGZVFWFLSA-N 0 3 372.469 2.942 20 5 FFBDHN COc1cccc(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000194334710 989212089 /nfs/dbraw/zinc/21/20/89/989212089.db2.gz ZHSYWNWDRDFVTL-CQSZACIVSA-N 0 3 357.410 2.854 20 5 FFBDHN CC(C)(C)C(=O)NC[C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154264435 990111074 /nfs/dbraw/zinc/11/10/74/990111074.db2.gz GBAXXMSLKISJGD-PBHICJAKSA-N 0 3 363.458 2.503 20 5 FFBDHN CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)OCC(C)[N+](=O)[O-] ZINC000813106129 995624532 /nfs/dbraw/zinc/62/45/32/995624532.db2.gz YZXYGZOBWXMKRY-SXUGBLPRSA-N 0 3 366.458 2.552 20 5 FFBDHN CCCCCCn1nc(C(=O)OCC(C)[N+](=O)[O-])c2ccccc2c1=O ZINC000813106695 995624649 /nfs/dbraw/zinc/62/46/49/995624649.db2.gz GLRWTBTVUJQIOD-ZDUSSCGKSA-N 0 3 361.398 2.799 20 5 FFBDHN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1[N+](=O)[O-] ZINC000813330185 995665923 /nfs/dbraw/zinc/66/59/23/995665923.db2.gz UMGOASWIBJZVPR-NWDGAFQWSA-N 0 3 368.393 2.845 20 5 FFBDHN CC([C@H](OC(=O)[C@H](C)NC(=O)c1ccccc1)c1ccccc1F)[N+](=O)[O-] ZINC000845873501 998676860 /nfs/dbraw/zinc/67/68/60/998676860.db2.gz UXIXPSOZUXCZBE-AHIWAGSCSA-N 0 3 374.368 2.894 20 5 FFBDHN COCCn1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c(C)n1 ZINC000845874245 998677203 /nfs/dbraw/zinc/67/72/03/998677203.db2.gz GMPPZTUARSJAEG-LRDDRELGSA-N 0 3 365.361 2.540 20 5 FFBDHN CN(C)CCN(C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C1CCCC1 ZINC000826947973 1016233068 /nfs/dbraw/zinc/23/30/68/1016233068.db2.gz YKTQYXPKYJQLKK-UHFFFAOYSA-N 0 3 366.437 2.746 20 5 FFBDHN CC[C@@H]1CCCCN1CCNc1c([N+](=O)[O-])cc(CO)c(C)c1[N+](=O)[O-] ZINC000733301988 998951103 /nfs/dbraw/zinc/95/11/03/998951103.db2.gz FYEQBDLHSHKHFI-CQSZACIVSA-N 0 3 366.418 2.980 20 5 FFBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCN(c3ncccc3C(F)(F)F)CC2)C1 ZINC001169006818 1000015054 /nfs/dbraw/zinc/01/50/54/1000015054.db2.gz JKPOIRUHFQWICT-CHWSQXEVSA-N 0 3 358.364 2.668 20 5 FFBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCO[C@]3(CCCN(c4ccccc4)C3)C2)C1 ZINC001169023981 1000017793 /nfs/dbraw/zinc/01/77/93/1000017793.db2.gz WHIDRJRIFODCBI-RLLQIKCJSA-N 0 3 359.470 2.803 20 5 FFBDHN CN(CC(=O)O[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000772668173 1001440569 /nfs/dbraw/zinc/44/05/69/1001440569.db2.gz TVIWPVZLARWRHU-KRWDZBQOSA-N 0 3 369.421 2.849 20 5 FFBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2nnc(-c3ccccc3)[nH]2)n1 ZINC000774316334 1001856183 /nfs/dbraw/zinc/85/61/83/1001856183.db2.gz SVJWDAKHELQWBT-LSDHHAIUSA-N 0 3 367.413 2.850 20 5 FFBDHN CCN(C(C)=O)C1CCN([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170354176 1003121716 /nfs/dbraw/zinc/12/17/16/1003121716.db2.gz HZLYPOHPMCSJQM-AWEZNQCLSA-N 0 3 363.458 2.867 20 5 FFBDHN CCO[C@@H]1CN([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])[C@@H]2CCCO[C@H]12 ZINC001170341391 1003130461 /nfs/dbraw/zinc/13/04/61/1003130461.db2.gz QBWZUVHJNCIYOX-QVSURHGTSA-N 0 3 364.442 2.803 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCOC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000805861126 1004162467 /nfs/dbraw/zinc/16/24/67/1004162467.db2.gz GQAUROSACGKJFE-UHFFFAOYSA-N 0 3 372.425 2.555 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](c2ncccn2)C1 ZINC001197864848 1004405166 /nfs/dbraw/zinc/40/51/66/1004405166.db2.gz QJEPOJMSHQQOCB-HNNXBMFYSA-N 0 3 369.425 2.901 20 5 FFBDHN COc1ccc(C[C@](C)(CO)NCc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC001198219467 1004532362 /nfs/dbraw/zinc/53/23/62/1004532362.db2.gz OMBLHXPXWHYHHU-LJQANCHMSA-N 0 3 360.410 2.695 20 5 FFBDHN CC[C@H](C)N[C@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N)c1ccco1 ZINC000807680354 1004660717 /nfs/dbraw/zinc/66/07/17/1004660717.db2.gz PGRDYJGHLZSGFH-GXTWGEPZSA-N 0 3 360.414 2.938 20 5 FFBDHN C[C@H](NCc1ccc(N2CCCNC2=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850575752 1005823424 /nfs/dbraw/zinc/82/34/24/1005823424.db2.gz ZOBWLJKPVUWQNS-ZDUSSCGKSA-N 0 3 369.425 2.948 20 5 FFBDHN CCCCCNC(=O)C1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776578757 1005958832 /nfs/dbraw/zinc/95/88/32/1005958832.db2.gz IUMGCXRLTDLZHF-SFHVURJKSA-N 0 3 363.458 2.647 20 5 FFBDHN CC(C)[C@@H](C)NC(=O)C1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776580946 1005961072 /nfs/dbraw/zinc/96/10/72/1005961072.db2.gz AIIODEDASDBEMY-KDOFPFPSSA-N 0 3 363.458 2.501 20 5 FFBDHN Cc1cccc(C)c1OC[C@H](O)CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815565623 1006685961 /nfs/dbraw/zinc/68/59/61/1006685961.db2.gz VIVFPYIFZJFEDW-GDBMZVCRSA-N 0 3 359.426 2.884 20 5 FFBDHN CN(CCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1F)Cc1ccncc1 ZINC000854487260 1006853053 /nfs/dbraw/zinc/85/30/53/1006853053.db2.gz OEQFOEAIMWCBIJ-UHFFFAOYSA-N 0 3 360.389 2.723 20 5 FFBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC001190569266 1007699050 /nfs/dbraw/zinc/69/90/50/1007699050.db2.gz OWRKYWKIJDDWGP-HNNXBMFYSA-N 0 3 369.487 2.692 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](O)CNCc2ccc(N3CCCCC3)nc2)c1 ZINC000818961021 1007979858 /nfs/dbraw/zinc/97/98/58/1007979858.db2.gz NHYKKXLAJSZRID-GOSISDBHSA-N 0 3 356.426 2.803 20 5 FFBDHN COc1cc(C[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1[O-] ZINC000856813435 1007987527 /nfs/dbraw/zinc/98/75/27/1007987527.db2.gz VQAROANMYGSCLE-NSHDSACASA-N 0 3 369.418 2.702 20 5 FFBDHN COCCCn1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cn1 ZINC000860854660 1009176471 /nfs/dbraw/zinc/17/64/71/1009176471.db2.gz FRRJFIGCBJGTQP-BLLLJJGKSA-N 0 3 365.361 2.622 20 5 FFBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2cccc3c2OCCO3)n1 ZINC000774244597 1010541133 /nfs/dbraw/zinc/54/11/33/1010541133.db2.gz QLJXEHYFPAWXSG-GJZGRUSLSA-N 0 3 358.398 2.836 20 5 FFBDHN Cc1oncc1CNC1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173006616 1012173457 /nfs/dbraw/zinc/17/34/57/1012173457.db2.gz YJIHQCFROHVQDD-UHFFFAOYSA-N 0 3 352.341 2.928 20 5 FFBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1ccnc(OC2CCOCC2)n1 ZINC001173224098 1012357103 /nfs/dbraw/zinc/35/71/03/1012357103.db2.gz LUBFEKTVRPKKMN-CQSZACIVSA-N 0 3 372.425 2.663 20 5 FFBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(CCc2ccncc2)CC1 ZINC001173225020 1012358628 /nfs/dbraw/zinc/35/86/28/1012358628.db2.gz AWEUAUXEIMYWGY-KRWDZBQOSA-N 0 3 354.454 2.781 20 5 FFBDHN CCOC(=O)N(C)C1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000726973055 1020562831 /nfs/dbraw/zinc/56/28/31/1020562831.db2.gz YYFIEMWVNXRIHP-UHFFFAOYSA-N 0 3 365.430 2.916 20 5 FFBDHN COc1ccccc1COC[C@H](O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932181624 1020734744 /nfs/dbraw/zinc/73/47/44/1020734744.db2.gz XQNBBSRPIMWPTI-RDTXWAMCSA-N 0 3 360.410 2.832 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)c1C ZINC000900980376 1020762635 /nfs/dbraw/zinc/76/26/35/1020762635.db2.gz KSOASDZKRNVSOL-GJZGRUSLSA-N 0 3 363.458 2.831 20 5 FFBDHN COc1cc([C@@H](C)NC[C@]2(c3cnn(C)c3)CCCO2)cc([N+](=O)[O-])c1 ZINC000903359890 1020803708 /nfs/dbraw/zinc/80/37/08/1020803708.db2.gz UCJFHJABBLCRJE-ACJLOTCBSA-N 0 3 360.414 2.693 20 5 FFBDHN O=C(CN1CCCC[C@H]([C@H]2CCOC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000934840511 1021424666 /nfs/dbraw/zinc/42/46/66/1021424666.db2.gz FXJOBENBFZHDIU-IRXDYDNUSA-N 0 3 373.453 2.623 20 5 FFBDHN CCC[C@@H]1CN(c2nnc([C@@H](C)[N+](=O)[O-])n2C)CCN1Cc1ccccc1 ZINC001121296129 1023692837 /nfs/dbraw/zinc/69/28/37/1023692837.db2.gz GBJYUWLQWPIVII-NVXWUHKLSA-N 0 3 372.473 2.644 20 5 FFBDHN O=[N+]([O-])c1cc(O[C@@H]2CNCCC2(F)F)c(F)cc1Br ZINC001218448113 1033160286 /nfs/dbraw/zinc/16/02/86/1033160286.db2.gz MDOAXPRBADZMFK-SNVBAGLBSA-N 0 3 355.110 2.872 20 5 FFBDHN CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2CNCCC2(F)F)c1 ZINC001218452984 1033162338 /nfs/dbraw/zinc/16/23/38/1033162338.db2.gz PAXPINCAZFJDIA-CYBMUJFWSA-N 0 3 358.341 2.926 20 5 FFBDHN CN(CCCN(C)C(=O)OC(C)(C)C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000839654083 1026776006 /nfs/dbraw/zinc/77/60/06/1026776006.db2.gz FAEZVYJANZKIPN-MRXNPFEDSA-N 0 3 367.446 2.817 20 5 FFBDHN Cc1nn(CN2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c(C)c1[N+](=O)[O-] ZINC000795690953 1027813453 /nfs/dbraw/zinc/81/34/53/1027813453.db2.gz BTNPHBLLINVNRF-FGTMMUONSA-N 0 3 356.426 2.870 20 5 FFBDHN CN(C)C[C@@]12C[C@@H]1CN(C(=O)c1ccc3oc4ccccc4c(=O)c3c1)C2 ZINC001153421633 1027873857 /nfs/dbraw/zinc/87/38/57/1027873857.db2.gz CXVQWAIKPJDXBM-IVZQSRNASA-N 0 3 362.429 2.970 20 5 FFBDHN CC(C)N1CCC[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC001153807239 1028006717 /nfs/dbraw/zinc/00/67/17/1028006717.db2.gz DDDVOHQGIWGPNH-LBPRGKRZSA-N 0 3 357.357 2.799 20 5 FFBDHN C[C@@H]1[C@H](NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CCN1C ZINC001155894205 1028963896 /nfs/dbraw/zinc/96/38/96/1028963896.db2.gz SHDSLIHJCBPEPE-JYYAWHABSA-N 0 3 374.485 2.900 20 5 FFBDHN O=[N+]([O-])c1cc(F)cc2ccc(N[C@H]3CCCC[C@@]34CNCCO4)nc21 ZINC001163644252 1029005691 /nfs/dbraw/zinc/00/56/91/1029005691.db2.gz CINLCWZRIVSPKH-MAUKXSAKSA-N 0 3 360.389 2.995 20 5 FFBDHN CSc1nc(Cl)c([N+](=O)[O-])c(N2CCNC[C@H]2c2cccs2)n1 ZINC001156089389 1029041649 /nfs/dbraw/zinc/04/16/49/1029041649.db2.gz MAJCOJQVXPRUEM-QMMMGPOBSA-N 0 3 371.875 2.973 20 5 FFBDHN C[C@@H]1CN(CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)[C@@H]2CCCC[C@H]21 ZINC000782277749 1029637269 /nfs/dbraw/zinc/63/72/69/1029637269.db2.gz RUVBNDZSKGNWKI-XOKHGSTOSA-N 0 3 372.425 2.831 20 5 FFBDHN COc1cccc(CO[C@H]2CC[C@H](N3CCOCC3)CC2)c1[N+](=O)[O-] ZINC001223812422 1033600126 /nfs/dbraw/zinc/60/01/26/1033600126.db2.gz MMWYCLKWSLTTFS-WKILWMFISA-N 0 3 350.415 2.763 20 5 FFBDHN O=C(Nc1ccc([N+](=O)[O-])c2ccccc12)N[C@@H]1CCCN(CCCO)C1 ZINC001220437517 1034176855 /nfs/dbraw/zinc/17/68/55/1034176855.db2.gz DIPRONZYWOAIMA-CQSZACIVSA-N 0 3 372.425 2.716 20 5 FFBDHN CCOc1cccc(CN(CCO)C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000832660258 1034898469 /nfs/dbraw/zinc/89/84/69/1034898469.db2.gz STHVRCUDTUVFDD-LJQANCHMSA-N 0 3 360.410 2.521 20 5 FFBDHN CCN1CC[C@@H](Oc2cc(I)ccc2[N+](=O)[O-])C1 ZINC001229153052 1036526244 /nfs/dbraw/zinc/52/62/44/1036526244.db2.gz ZCGBZQNGBWTPOQ-SNVBAGLBSA-N 0 3 362.167 2.672 20 5 FFBDHN CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3c4cccnc4ccc3[N+](=O)[O-])C[C@H]1N2C ZINC001233783859 1036761277 /nfs/dbraw/zinc/76/12/77/1036761277.db2.gz AGIVBLWFNYINJU-UHIXZJCNSA-N 0 3 371.393 2.689 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(Cc2nc(-c3ccc4c(n3)CCNC4)no2)c1 ZINC001249285326 1040667480 /nfs/dbraw/zinc/66/74/80/1040667480.db2.gz NRTQKKBXJYVFCJ-UHFFFAOYSA-N 0 3 351.366 2.585 20 5 FFBDHN O=[N+]([O-])c1c(Cl)cccc1Cc1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001249301911 1040673674 /nfs/dbraw/zinc/67/36/74/1040673674.db2.gz FBEVACKDVSPIOQ-UHFFFAOYSA-N 0 3 371.784 2.930 20 5 FFBDHN Cc1noc(C[C@H]2C[C@H]3CN([C@H](C)Cc4ccccc4[N+](=O)[O-])C[C@H]3O2)n1 ZINC001254559477 1040796796 /nfs/dbraw/zinc/79/67/96/1040796796.db2.gz YCZIQSSZCPURCD-BUIXCFAXSA-N 0 3 372.425 2.549 20 5 FFBDHN CC(C)(C)OC(=O)NCCC1CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254604867 1040834504 /nfs/dbraw/zinc/83/45/04/1040834504.db2.gz XXGAANLCGULFES-QGZVFWFLSA-N 0 3 361.442 2.909 20 5 FFBDHN O=C1c2ccccc2CN1[C@H]1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254611028 1040838821 /nfs/dbraw/zinc/83/88/21/1040838821.db2.gz ONIOULCSNNIAIB-OALUTQOASA-N 0 3 363.417 2.792 20 5 FFBDHN COc1ccc(O[C@H]2CCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)nc1 ZINC001254612159 1040842197 /nfs/dbraw/zinc/84/21/97/1040842197.db2.gz VOQVWGVIPOALTC-AEFFLSMTSA-N 0 3 355.394 2.619 20 5 FFBDHN COCCN1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001311330583 1043890727 /nfs/dbraw/zinc/89/07/27/1043890727.db2.gz FUOAGXXNPHMHRJ-CYBMUJFWSA-N 0 3 358.398 2.590 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001333021353 1048675941 /nfs/dbraw/zinc/67/59/41/1048675941.db2.gz FDZLPAAQYJYONW-CQSZACIVSA-N 0 3 354.414 2.856 20 5 FFBDHN O=[N+]([O-])c1c(N2CCN(C[C@H]3CCOC3)CC2)cccc1C(F)(F)F ZINC001333911578 1049166258 /nfs/dbraw/zinc/16/62/58/1049166258.db2.gz HAGMFOCFRBLMAV-GFCCVEGCSA-N 0 3 359.348 2.772 20 5 FFBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC001330591493 1049220313 /nfs/dbraw/zinc/22/03/13/1049220313.db2.gz IWQKRSXWXSJLFG-KRWDZBQOSA-N 0 3 356.382 2.550 20 5 FFBDHN O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1ccc([C@H]2CNCCO2)cc1 ZINC001340629661 1051007652 /nfs/dbraw/zinc/00/76/52/1051007652.db2.gz GSPUEPWKDZWPFR-GOSISDBHSA-N 0 3 373.384 2.966 20 5 FFBDHN Cc1cccc(C[C@@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC001308671701 1052484365 /nfs/dbraw/zinc/48/43/65/1052484365.db2.gz YFHLLEUOCQQHMN-OAHLLOKOSA-N 0 3 362.451 2.898 20 5 FFBDHN Cc1cc(S(=O)(=O)[N-]CCC[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])s1 ZINC001309015618 1052539229 /nfs/dbraw/zinc/53/92/29/1052539229.db2.gz CYGKFYPXRRDKIV-LLVKDONJSA-N 0 3 361.489 2.508 20 5 FFBDHN Cc1cc(S(=O)(=O)[N-]CCC[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])s1 ZINC001309015618 1052539233 /nfs/dbraw/zinc/53/92/33/1052539233.db2.gz CYGKFYPXRRDKIV-LLVKDONJSA-N 0 3 361.489 2.508 20 5 FFBDHN CC(C)CN(CCN(C)C)C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001543089803 1071377233 /nfs/dbraw/zinc/37/72/33/1071377233.db2.gz RCVANCCRDPHADQ-UHFFFAOYSA-N 0 3 358.442 2.990 20 5 FFBDHN Cc1cc([C@H](N)CC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc(Cl)n1 ZINC001349109871 1055099944 /nfs/dbraw/zinc/09/99/44/1055099944.db2.gz BTGSNAAPUKTYKS-OAHLLOKOSA-N 0 3 360.801 2.884 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC(c2cccs2)c2cccs2)c1 ZINC001356535654 1055562405 /nfs/dbraw/zinc/56/24/05/1055562405.db2.gz VAZQFVMUNKNOQV-LBPRGKRZSA-N 0 3 364.452 2.654 20 5 FFBDHN Cc1cccc(CN2CC[C@@H](NC(=O)Cc3cccc(F)c3[N+](=O)[O-])C2)c1 ZINC001454307537 1059494149 /nfs/dbraw/zinc/49/41/49/1059494149.db2.gz CJVDAZOVADWSRN-QGZVFWFLSA-N 0 3 371.412 2.976 20 5 FFBDHN O=C(CCN1CCC(c2ncco2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC001460602088 1061028753 /nfs/dbraw/zinc/02/87/53/1061028753.db2.gz FELRFAMVFIZVHY-UHFFFAOYSA-N 0 3 362.361 2.930 20 5 FFBDHN C[C@@H]1CN(CCCCNc2ncnc3cccc([N+](=O)[O-])c32)C[C@H](C)O1 ZINC000544394228 1061126438 /nfs/dbraw/zinc/12/64/38/1061126438.db2.gz PKCNOEMMXMFUDX-OKILXGFUSA-N 0 3 359.430 2.839 20 5 FFBDHN O=C(NC/C=C\CNCc1c(Cl)oc2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC001497582501 1063729784 /nfs/dbraw/zinc/72/97/84/1063729784.db2.gz DVYRFOAMJSCBIG-VPOWOMEUSA-N 0 3 363.801 2.513 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC001475069534 1065693171 /nfs/dbraw/zinc/69/31/71/1065693171.db2.gz UZSCTYDXKLLIME-UMVBOHGHSA-N 0 3 369.487 2.548 20 5 FFBDHN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NC[C@@H]1NCCc2ccccc21 ZINC001580569968 1078828437 /nfs/dbraw/zinc/82/84/37/1078828437.db2.gz JFUKCBXPCGHMAD-INIZCTEOSA-N 0 3 359.813 2.794 20 5 FFBDHN C[C@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCN1C1CCCC1 ZINC001558321149 1075981017 /nfs/dbraw/zinc/98/10/17/1075981017.db2.gz JYOJFWGZICEZFL-LBPRGKRZSA-N 0 3 357.414 2.560 20 5 FFBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H]2CCOC23CCCC3)c([N+](=O)[O-])c1 ZINC001560208466 1076247352 /nfs/dbraw/zinc/24/73/52/1076247352.db2.gz GLKHAVZSROEXJO-BLLLJJGKSA-N 0 3 363.414 2.622 20 5 FFBDHN COc1cccc(OCCC[NH2+]Cc2cc(OC)c([O-])cc2[N+](=O)[O-])c1 ZINC001560343426 1076265690 /nfs/dbraw/zinc/26/56/90/1076265690.db2.gz GIGYIMPGKIXSHX-UHFFFAOYSA-N 0 3 362.382 2.876 20 5 FFBDHN CCCc1[n-]nc(C(=O)Nc2ccc(C[NH+](C)C)cc2OC)c1[N+](=O)[O-] ZINC001570178178 1077187544 /nfs/dbraw/zinc/18/75/44/1077187544.db2.gz AWVBOMFHKHIKGO-UHFFFAOYSA-N 0 3 361.402 2.593 20 5 FFBDHN C[C@@H](CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC001589876319 1080824830 /nfs/dbraw/zinc/82/48/30/1080824830.db2.gz UUDLZRNMCHPRFI-ZDUSSCGKSA-N 0 3 367.413 2.707 20 5 FFBDHN C[C@@H](CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC001589876319 1080824831 /nfs/dbraw/zinc/82/48/31/1080824831.db2.gz UUDLZRNMCHPRFI-ZDUSSCGKSA-N 0 3 367.413 2.707 20 5 FFBDHN C[C@@H](CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC001589876319 1080824832 /nfs/dbraw/zinc/82/48/32/1080824832.db2.gz UUDLZRNMCHPRFI-ZDUSSCGKSA-N 0 3 367.413 2.707 20 5 FFBDHN C[C@@H](CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC001589876319 1080824833 /nfs/dbraw/zinc/82/48/33/1080824833.db2.gz UUDLZRNMCHPRFI-ZDUSSCGKSA-N 0 3 367.413 2.707 20 5 FFBDHN C[C@H]1C[C@H](C)C[NH+](CCCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590187836 1081077391 /nfs/dbraw/zinc/07/73/91/1081077391.db2.gz NXFKVPCKFCDPGJ-STQMWFEESA-N 0 3 359.434 2.555 20 5 FFBDHN C[C@H]1C[C@H](C)C[NH+](CCCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590187836 1081077396 /nfs/dbraw/zinc/07/73/96/1081077396.db2.gz NXFKVPCKFCDPGJ-STQMWFEESA-N 0 3 359.434 2.555 20 5 FFBDHN C[C@@H]1CCC[C@](CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC001590241022 1081115692 /nfs/dbraw/zinc/11/56/92/1081115692.db2.gz FZLDSDDZHQFOTF-PXAZEXFGSA-N 0 3 359.434 2.697 20 5 FFBDHN C[C@@H]1CCC[C@](CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC001590241022 1081115695 /nfs/dbraw/zinc/11/56/95/1081115695.db2.gz FZLDSDDZHQFOTF-PXAZEXFGSA-N 0 3 359.434 2.697 20 5 FFBDHN CC(C)[C@@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC001590269646 1081133483 /nfs/dbraw/zinc/13/34/83/1081133483.db2.gz RMEHLAJNJCPHKJ-MRXNPFEDSA-N 0 3 373.461 2.943 20 5 FFBDHN CC(C)[C@@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC001590269646 1081133485 /nfs/dbraw/zinc/13/34/85/1081133485.db2.gz RMEHLAJNJCPHKJ-MRXNPFEDSA-N 0 3 373.461 2.943 20 5 FFBDHN O=C(NCC1CCN(c2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000093191406 250020902 /nfs/dbraw/zinc/02/09/02/250020902.db2.gz RRORKLFJCVXJPJ-UHFFFAOYSA-N 0 3 358.373 2.775 20 5 FFBDHN CCCC(=O)NC[C@H]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000101911970 250092664 /nfs/dbraw/zinc/09/26/64/250092664.db2.gz UMOPWLZBHRXYIO-MRXNPFEDSA-N 0 3 363.458 2.992 20 5 FFBDHN Cc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])c(OCCN(C)C)c1 ZINC000151379563 251068093 /nfs/dbraw/zinc/06/80/93/251068093.db2.gz APMGFSJXJURTTJ-UHFFFAOYSA-N 0 3 373.409 2.861 20 5 FFBDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000153270215 251119901 /nfs/dbraw/zinc/11/99/01/251119901.db2.gz VEYIHSIALQBVGZ-CQSZACIVSA-N 0 3 369.425 2.527 20 5 FFBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[C@H](N2CCCCC2)C1 ZINC000264603748 251320407 /nfs/dbraw/zinc/32/04/07/251320407.db2.gz YCEGCMSWBYGDFL-KRWDZBQOSA-N 0 3 356.426 2.636 20 5 FFBDHN O=C(CN1CC[C@@H](N2CCCCC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000264629098 251329128 /nfs/dbraw/zinc/32/91/28/251329128.db2.gz TVPDWKABYCLIPV-CQSZACIVSA-N 0 3 366.849 2.747 20 5 FFBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000270997744 251681328 /nfs/dbraw/zinc/68/13/28/251681328.db2.gz LEVZPPALNTXCMB-CYBMUJFWSA-N 0 3 360.458 2.971 20 5 FFBDHN CC(C)N1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000272320107 252009292 /nfs/dbraw/zinc/00/92/92/252009292.db2.gz LPBJCKOYIDUSOZ-UHFFFAOYSA-N 0 3 357.357 2.753 20 5 FFBDHN CCC[C@](C)(O)CNCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272393657 252027636 /nfs/dbraw/zinc/02/76/36/252027636.db2.gz JGSPILNHPUFYKJ-INIZCTEOSA-N 0 3 362.373 2.888 20 5 FFBDHN CN1CC[C@@H]2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)[C@@H]2C1 ZINC000272496062 252053391 /nfs/dbraw/zinc/05/33/91/252053391.db2.gz VCVCVOZYXSYEMY-ZWNOBZJWSA-N 0 3 370.356 2.754 20 5 FFBDHN Cc1nccn1CCCCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272557537 252068334 /nfs/dbraw/zinc/06/83/34/252068334.db2.gz SMTCDIDYIGWHMG-SFHVURJKSA-N 0 3 368.441 2.993 20 5 FFBDHN CN1CC=C(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000273084373 252211438 /nfs/dbraw/zinc/21/14/38/252211438.db2.gz BDNRSMLBCYDFGP-UHFFFAOYSA-N 0 3 355.847 2.718 20 5 FFBDHN COc1ccccc1[C@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273397652 252298295 /nfs/dbraw/zinc/29/82/95/252298295.db2.gz VVFOXDGKIUVCOQ-JKSUJKDBSA-N 0 3 372.421 2.833 20 5 FFBDHN COc1ccccc1[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273397649 252298483 /nfs/dbraw/zinc/29/84/83/252298483.db2.gz VVFOXDGKIUVCOQ-HZPDHXFCSA-N 0 3 372.421 2.833 20 5 FFBDHN CS[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H]1N1CCCC1 ZINC000273458057 252309142 /nfs/dbraw/zinc/30/91/42/252309142.db2.gz DWOGRQIHSINWGD-SJORKVTESA-N 0 3 363.483 2.566 20 5 FFBDHN C[C@H](CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)N1CCCCC1 ZINC000276348941 256091802 /nfs/dbraw/zinc/09/18/02/256091802.db2.gz UCEQAODKPLLEQG-CYBMUJFWSA-N 0 3 355.460 2.675 20 5 FFBDHN O=C([C@@H]1CCCN1C1CC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000279204723 256392860 /nfs/dbraw/zinc/39/28/60/256392860.db2.gz ONEKNMLPEMFHMO-SFHVURJKSA-N 0 3 359.426 2.591 20 5 FFBDHN CC1(C)C[C@@H](NC[C@H]2CCCS(=O)(=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000287002899 257066278 /nfs/dbraw/zinc/06/62/78/257066278.db2.gz KECJMKOYYMYIDZ-MLGOLLRUSA-N 0 3 352.456 2.732 20 5 FFBDHN CC1(C)C[C@H](NC[C@@H]2CCCS(=O)(=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000287002898 257066393 /nfs/dbraw/zinc/06/63/93/257066393.db2.gz KECJMKOYYMYIDZ-LRDDRELGSA-N 0 3 352.456 2.732 20 5 FFBDHN COc1ccc([C@@H](CNc2ccc(N)cc2[N+](=O)[O-])N(C)C)cc1OC ZINC000287057062 257069755 /nfs/dbraw/zinc/06/97/55/257069755.db2.gz SGHLXXXYYUJWRG-MRXNPFEDSA-N 0 3 360.414 2.909 20 5 FFBDHN COc1cc(CN[C@H](CO)C2CCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000289441341 257281372 /nfs/dbraw/zinc/28/13/72/257281372.db2.gz FBCORJTVKXFAJC-CYBMUJFWSA-N 0 3 374.384 2.888 20 5 FFBDHN Cc1cnn([C@H]2CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)c1 ZINC000289865335 257303654 /nfs/dbraw/zinc/30/36/54/257303654.db2.gz LLCWKZJGSBHRCI-AWEZNQCLSA-N 0 3 361.377 2.514 20 5 FFBDHN NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1CCCCN1Cc1ccccc1 ZINC000301121337 258026603 /nfs/dbraw/zinc/02/66/03/258026603.db2.gz WUTCWOYMYFXZFH-OAHLLOKOSA-N 0 3 369.425 2.555 20 5 FFBDHN C[C@@H]1CN(CC2CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)C[C@H](C)O1 ZINC000301274958 258039216 /nfs/dbraw/zinc/03/92/16/258039216.db2.gz LPGKXMGKVITGLZ-BETUJISGSA-N 0 3 368.865 2.969 20 5 FFBDHN COC(=O)c1cnc(N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000302749518 258109629 /nfs/dbraw/zinc/10/96/29/258109629.db2.gz GRQRHRXGLSQSBX-RWMBFGLXSA-N 0 3 350.419 2.555 20 5 FFBDHN COC(=O)c1cnc(N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000302754114 258109650 /nfs/dbraw/zinc/10/96/50/258109650.db2.gz IANAVANBXGVGQX-CZUORRHYSA-N 0 3 370.409 2.709 20 5 FFBDHN CCN1C[C@@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000330858436 258172218 /nfs/dbraw/zinc/17/22/18/258172218.db2.gz TUTXAFPTOUMJMD-TXEJJXNPSA-N 0 3 354.838 2.601 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1C ZINC000331825447 258201778 /nfs/dbraw/zinc/20/17/78/258201778.db2.gz MXYBKXOLVQJHQR-DJIMGWMZSA-N 0 3 360.458 2.967 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCN1C ZINC000331825451 258201928 /nfs/dbraw/zinc/20/19/28/258201928.db2.gz MXYBKXOLVQJHQR-PVAVHDDUSA-N 0 3 360.458 2.967 20 5 FFBDHN CN(C[C@H]1CCCN1C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000421708039 513379026 /nfs/dbraw/zinc/37/90/26/513379026.db2.gz YXVUESBTUSIATG-LLVKDONJSA-N 0 3 356.220 2.524 20 5 FFBDHN CN(C)Cc1ccccc1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000011713052 506790619 /nfs/dbraw/zinc/79/06/19/506790619.db2.gz COTJPRIKOOXBTI-UHFFFAOYSA-N 0 3 356.426 2.775 20 5 FFBDHN CC(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)N1CCc2ccccc2C1 ZINC000045313598 506949313 /nfs/dbraw/zinc/94/93/13/506949313.db2.gz FJCVWORFKYHYDT-SFHVURJKSA-N 0 3 356.426 2.736 20 5 FFBDHN Cc1sc(C(=O)NCc2cccc(OCCN(C)C)c2)cc1[N+](=O)[O-] ZINC000056891150 507117810 /nfs/dbraw/zinc/11/78/10/507117810.db2.gz NVWGLSDOPSONET-UHFFFAOYSA-N 0 3 363.439 2.835 20 5 FFBDHN C[C@H]1CCCN(c2ccc(C(=O)N(C)C3CCN(C)CC3)cc2[N+](=O)[O-])C1 ZINC000068192785 507143783 /nfs/dbraw/zinc/14/37/83/507143783.db2.gz SJVZZHBXUOGATB-HNNXBMFYSA-N 0 3 374.485 2.997 20 5 FFBDHN C[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C)C1 ZINC000047213364 507286015 /nfs/dbraw/zinc/28/60/15/507286015.db2.gz PQWOJKFYCBQVLY-KGLIPLIRSA-N 0 3 351.472 2.924 20 5 FFBDHN Cc1c(C(=O)N2CCCN(C(C)C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000068776634 507319750 /nfs/dbraw/zinc/31/97/50/507319750.db2.gz GQVIRSNAHJFVFT-UHFFFAOYSA-N 0 3 364.402 2.676 20 5 FFBDHN COc1cc(OCC(=O)Nc2ccc(CN(C)C)cc2)ccc1[N+](=O)[O-] ZINC000068850085 507342189 /nfs/dbraw/zinc/34/21/89/507342189.db2.gz MZKMGAHEIMWUKQ-UHFFFAOYSA-N 0 3 359.382 2.683 20 5 FFBDHN CN(CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000068996828 507377534 /nfs/dbraw/zinc/37/75/34/507377534.db2.gz STWNNIQHJYFZLU-UHFFFAOYSA-N 0 3 355.460 2.675 20 5 FFBDHN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC1CCN(C(C)C)CC1 ZINC000069691443 507535083 /nfs/dbraw/zinc/53/50/83/507535083.db2.gz LIZSSYYKZIEKAX-UHFFFAOYSA-N 0 3 366.374 2.574 20 5 FFBDHN COc1ccc(NC(=O)CCN(C)CCOc2ccccc2)c([N+](=O)[O-])c1 ZINC000026222712 507570073 /nfs/dbraw/zinc/57/00/73/507570073.db2.gz LZCZLJKVYZJBMI-UHFFFAOYSA-N 0 3 373.409 2.943 20 5 FFBDHN C[C@@H](CN1CCCCC1)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000027748302 507680478 /nfs/dbraw/zinc/68/04/78/507680478.db2.gz BLTMZCGMGIZNBS-INIZCTEOSA-N 0 3 374.485 2.802 20 5 FFBDHN C[C@@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N(C)C ZINC000063732517 507765718 /nfs/dbraw/zinc/76/57/18/507765718.db2.gz FGPWYSLFTQNOTM-AWEZNQCLSA-N 0 3 356.426 2.887 20 5 FFBDHN O=[N+]([O-])c1cccnc1NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000052430650 507809251 /nfs/dbraw/zinc/80/92/51/507809251.db2.gz AQTASRWKWYFEGW-UHFFFAOYSA-N 0 3 369.469 3.000 20 5 FFBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000108302696 507885221 /nfs/dbraw/zinc/88/52/21/507885221.db2.gz NKIVKLKHZGWEFA-CQSZACIVSA-N 0 3 372.450 2.932 20 5 FFBDHN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H]1CCN(CC2CC2)C1 ZINC000108505984 507899774 /nfs/dbraw/zinc/89/97/74/507899774.db2.gz ITIAGLHGQUUXEY-NSHDSACASA-N 0 3 370.356 2.802 20 5 FFBDHN CCc1nn(C)c(N2CC[C@@H](C)N(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000091729306 508005710 /nfs/dbraw/zinc/00/57/10/508005710.db2.gz IUTKYSYQLOWQAP-OAHLLOKOSA-N 0 3 357.458 2.992 20 5 FFBDHN COc1ccc(C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000081125933 508140336 /nfs/dbraw/zinc/14/03/36/508140336.db2.gz JMHKPAFLCLLWFG-QGZVFWFLSA-N 0 3 369.421 2.950 20 5 FFBDHN CC(C)OCCN1CCC(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000081995571 508223964 /nfs/dbraw/zinc/22/39/64/508223964.db2.gz RRYIILAPMPBJIZ-VMPITWQZSA-N 0 3 361.442 2.614 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000106364029 508399881 /nfs/dbraw/zinc/39/98/81/508399881.db2.gz ONQSLEDANFTMEN-WCQYABFASA-N 0 3 355.822 2.568 20 5 FFBDHN C[C@H](NC[C@@H](O)COc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000133759115 508445552 /nfs/dbraw/zinc/44/55/52/508445552.db2.gz YMHHWPDDPOHYLM-SMDDNHRTSA-N 0 3 352.337 2.964 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000156671328 508459913 /nfs/dbraw/zinc/45/99/13/508459913.db2.gz ZTLHAKWTCNYICR-QAPCUYQASA-N 0 3 368.437 2.643 20 5 FFBDHN C[C@@H](c1ccccc1)N1CCC(NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000116063645 508468034 /nfs/dbraw/zinc/46/80/34/508468034.db2.gz BVYMOQIPERDDJA-HNNXBMFYSA-N 0 3 371.441 2.523 20 5 FFBDHN COC(=O)c1cc(C(=O)N(CCN(C)C)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000116126181 508475348 /nfs/dbraw/zinc/47/53/48/508475348.db2.gz OQJFSCHPHJXAAX-UHFFFAOYSA-N 0 3 371.393 2.590 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000127617994 508477334 /nfs/dbraw/zinc/47/73/34/508477334.db2.gz KWANIGKEVHABPE-HNNXBMFYSA-N 0 3 364.446 2.786 20 5 FFBDHN COc1ccc(OCCN2CC[C@@H](C)[C@@H](n3ccnc3)C2)c([N+](=O)[O-])c1 ZINC000122342402 508520087 /nfs/dbraw/zinc/52/00/87/508520087.db2.gz FLCKJRJFCIFRML-PBHICJAKSA-N 0 3 360.414 2.762 20 5 FFBDHN Cc1cccc(C(=O)NCc2ccccc2OCCN(C)C)c1[N+](=O)[O-] ZINC000122750880 508582045 /nfs/dbraw/zinc/58/20/45/508582045.db2.gz JIBCUYXHNNTDJJ-UHFFFAOYSA-N 0 3 357.410 2.774 20 5 FFBDHN Cc1sc(S(=O)(=O)[N-]Cc2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000122882564 508601216 /nfs/dbraw/zinc/60/12/16/508601216.db2.gz JBXVBQMUQJPGMB-UHFFFAOYSA-N 0 3 369.468 2.505 20 5 FFBDHN COc1ccccc1[C@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000157904172 508629924 /nfs/dbraw/zinc/62/99/24/508629924.db2.gz DTFQBMSTOLGKIX-RDJZCZTQSA-N 0 3 372.421 2.833 20 5 FFBDHN COC[C@@H](O)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000153736110 508638138 /nfs/dbraw/zinc/63/81/38/508638138.db2.gz OEESZSGTSNXVPY-LBPRGKRZSA-N 0 3 354.790 2.995 20 5 FFBDHN CCOc1ccnc(N2CCCN(CCc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000135773938 508648751 /nfs/dbraw/zinc/64/87/51/508648751.db2.gz XKCLEXJYQVRRGI-UHFFFAOYSA-N 0 3 371.441 2.538 20 5 FFBDHN Cc1ccc([C@@H](C)NCc2cccnc2N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000158470818 508709308 /nfs/dbraw/zinc/70/93/08/508709308.db2.gz OYJXMEIFIZOISE-MRXNPFEDSA-N 0 3 369.469 2.901 20 5 FFBDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000154266880 508748605 /nfs/dbraw/zinc/74/86/05/508748605.db2.gz HCPPXYHMOGMXAA-YGRLFVJLSA-N 0 3 370.247 2.816 20 5 FFBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H](CN2CCOCC2)C1 ZINC000129701376 508756298 /nfs/dbraw/zinc/75/62/98/508756298.db2.gz IIIICHQYQJUGKP-MRXNPFEDSA-N 0 3 363.458 2.536 20 5 FFBDHN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCN(C2CCCCC2)CC1 ZINC000154416468 508780296 /nfs/dbraw/zinc/78/02/96/508780296.db2.gz NKNDQLNPWQZWOH-UHFFFAOYSA-N 0 3 357.414 2.562 20 5 FFBDHN COc1ccc(NC(=O)[C@@H](C)N[C@@H]2CC(C)(C)OC2(C)C)c([N+](=O)[O-])c1 ZINC000119803631 508866134 /nfs/dbraw/zinc/86/61/34/508866134.db2.gz CDYLQKQDZNJBIZ-IAQYHMDHSA-N 0 3 365.430 2.866 20 5 FFBDHN Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(CC(C)C)C2)cc1[N+](=O)[O-] ZINC000120223004 508953732 /nfs/dbraw/zinc/95/37/32/508953732.db2.gz HKTUSGXSJOUWRP-HNNXBMFYSA-N 0 3 369.487 2.550 20 5 FFBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000160710525 509023554 /nfs/dbraw/zinc/02/35/54/509023554.db2.gz JCGZICOKOHMMKG-KRWDZBQOSA-N 0 3 360.458 2.999 20 5 FFBDHN CC(C)N(CCN(C)C)C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000151774655 509080435 /nfs/dbraw/zinc/08/04/35/509080435.db2.gz LVMGJIMTXLFWMV-GFCCVEGCSA-N 0 3 357.838 2.814 20 5 FFBDHN CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000162064527 509171132 /nfs/dbraw/zinc/17/11/32/509171132.db2.gz BOIWPASQDKADHP-UHFFFAOYSA-N 0 3 356.220 2.524 20 5 FFBDHN C[C@H]1CCCCN1CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000162087692 509172024 /nfs/dbraw/zinc/17/20/24/509172024.db2.gz JATZTQMGDJNWLQ-NSHDSACASA-N 0 3 370.247 2.962 20 5 FFBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1ccc2c(c1)CNC2 ZINC000188762371 509252024 /nfs/dbraw/zinc/25/20/24/509252024.db2.gz ILDOEPBCVBTPKE-UHFFFAOYSA-N 0 3 354.410 2.707 20 5 FFBDHN CCN1CCC[C@H]1CNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000162973266 509326487 /nfs/dbraw/zinc/32/64/87/509326487.db2.gz AYXOYYYVYTUQIH-LBPRGKRZSA-N 0 3 370.247 2.880 20 5 FFBDHN O=C(CCN1CCC([C@@H]2CCCO2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000189217241 509467139 /nfs/dbraw/zinc/46/71/39/509467139.db2.gz GGOGBHGGHIGOCZ-KRWDZBQOSA-N 0 3 365.405 2.954 20 5 FFBDHN CC(C)C[C@@H](CN)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000236640398 509469180 /nfs/dbraw/zinc/46/91/80/509469180.db2.gz XETBVPNFISWJBU-HNNXBMFYSA-N 0 3 351.450 2.644 20 5 FFBDHN CC1CCN(c2ccc(C(=O)N3C[C@H](C)NC[C@@H]3C)cc2[N+](=O)[O-])CC1 ZINC000236669401 509476244 /nfs/dbraw/zinc/47/62/44/509476244.db2.gz ROLGAUVIALQCFH-GJZGRUSLSA-N 0 3 360.458 2.654 20 5 FFBDHN Cc1cc(N2CCN(C3CCOCC3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000182944017 509509568 /nfs/dbraw/zinc/50/95/68/509509568.db2.gz SXMQKSRYFHHDSF-UHFFFAOYSA-N 0 3 356.426 2.752 20 5 FFBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000183022451 509552990 /nfs/dbraw/zinc/55/29/90/509552990.db2.gz AIGUOKOHBCUSGD-GWCFXTLKSA-N 0 3 357.357 2.608 20 5 FFBDHN O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@H](N2CCCCC2)C1 ZINC000264552930 509596698 /nfs/dbraw/zinc/59/66/98/509596698.db2.gz DATXVZDCXOUNBI-KRWDZBQOSA-N 0 3 372.469 2.895 20 5 FFBDHN CS(=O)(=O)CCCNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000237301585 509617558 /nfs/dbraw/zinc/61/75/58/509617558.db2.gz VPLSKLUXKGPDQF-UHFFFAOYSA-N 0 3 354.453 2.848 20 5 FFBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000192924726 509701243 /nfs/dbraw/zinc/70/12/43/509701243.db2.gz JAVIABLFRQIMRP-QGZVFWFLSA-N 0 3 373.457 2.823 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC1CCN(C2CCCC2)CC1 ZINC000176936629 509775611 /nfs/dbraw/zinc/77/56/11/509775611.db2.gz DLEYFWWNXIKILY-UHFFFAOYSA-N 0 3 367.471 2.589 20 5 FFBDHN CN1CC[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000180172512 509793238 /nfs/dbraw/zinc/79/32/38/509793238.db2.gz PHSFRAZEXPGHGA-HKUYNNGSSA-N 0 3 355.394 2.535 20 5 FFBDHN CN1CC[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000180175135 509794868 /nfs/dbraw/zinc/79/48/68/509794868.db2.gz KWFZLMWZPVVDJY-PXNSSMCTSA-N 0 3 368.437 2.958 20 5 FFBDHN COC(=O)c1cccc(NC(=O)C[C@H](C)NCc2ccccc2[N+](=O)[O-])c1 ZINC000183594448 509877739 /nfs/dbraw/zinc/87/77/39/509877739.db2.gz SZRQDAQOCIKLBT-ZDUSSCGKSA-N 0 3 371.393 2.888 20 5 FFBDHN O=C(Nc1ccncc1[N+](=O)[O-])N[C@H](CN1CCCC1)c1ccccc1 ZINC000183626957 509892707 /nfs/dbraw/zinc/89/27/07/509892707.db2.gz VMTBJUQVMALOFV-MRXNPFEDSA-N 0 3 355.398 2.948 20 5 FFBDHN C[C@@H](CN1CCCCC1)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180389428 509899415 /nfs/dbraw/zinc/89/94/15/509899415.db2.gz USNZEWNCHKAVSF-NSHDSACASA-N 0 3 357.357 2.800 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CN1C1CC1 ZINC000177179040 509921252 /nfs/dbraw/zinc/92/12/52/509921252.db2.gz PAJMQTLKAIDHIC-KBPBESRZSA-N 0 3 358.442 2.550 20 5 FFBDHN C[C@@H](NCCOc1cccc(S(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000180437698 509925718 /nfs/dbraw/zinc/92/57/18/509925718.db2.gz VPXAXYHTYMLYPZ-CYBMUJFWSA-N 0 3 364.423 2.728 20 5 FFBDHN CC(=O)Nc1ccc(OC[C@H](O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180453383 509933499 /nfs/dbraw/zinc/93/34/99/509933499.db2.gz MDOBJXKMVAXXPA-SCLBCKFNSA-N 0 3 373.409 2.644 20 5 FFBDHN Cc1nn(CCC(=O)Nc2cc(CN(C)C)ccc2C)c(C)c1[N+](=O)[O-] ZINC000177357281 510010996 /nfs/dbraw/zinc/01/09/96/510010996.db2.gz FVYMBAMNEFWABE-UHFFFAOYSA-N 0 3 359.430 2.807 20 5 FFBDHN Cc1ccc(CN(C)C[C@]2(O)CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000190314996 510058442 /nfs/dbraw/zinc/05/84/42/510058442.db2.gz NVNMLFOJDSPQFH-OAQYLSRUSA-N 0 3 369.465 2.972 20 5 FFBDHN CN(C)Cc1cccc(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c1 ZINC000180780426 510104563 /nfs/dbraw/zinc/10/45/63/510104563.db2.gz ZBZZXCWAMCALJR-GOSISDBHSA-N 0 3 368.393 2.788 20 5 FFBDHN Cn1cc(CN2CC[C@H]3OCCC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000245747710 510125146 /nfs/dbraw/zinc/12/51/46/510125146.db2.gz NEXZDZKYNBWMQE-MAUKXSAKSA-N 0 3 356.426 2.996 20 5 FFBDHN COc1cc(Br)ccc1[C@@H](C)NCCn1cc([N+](=O)[O-])cn1 ZINC000190440888 510132622 /nfs/dbraw/zinc/13/26/22/510132622.db2.gz BKCNUKOLFHTXPY-SNVBAGLBSA-N 0 3 369.219 2.913 20 5 FFBDHN C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)N(C)C ZINC000187223808 510135172 /nfs/dbraw/zinc/13/51/72/510135172.db2.gz RGUGCNBEFRNXMQ-IFXJQAMLSA-N 0 3 357.410 2.781 20 5 FFBDHN C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)N(C)C ZINC000187223832 510136120 /nfs/dbraw/zinc/13/61/20/510136120.db2.gz RGUGCNBEFRNXMQ-AUUYWEPGSA-N 0 3 357.410 2.781 20 5 FFBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000245882418 510185197 /nfs/dbraw/zinc/18/51/97/510185197.db2.gz IITARBGUGPMJJC-XJKSGUPXSA-N 0 3 354.410 2.699 20 5 FFBDHN O=C(CN1CCNC[C@H]1c1ccccc1Cl)Nc1ccccc1[N+](=O)[O-] ZINC000262309307 510239952 /nfs/dbraw/zinc/23/99/52/510239952.db2.gz YRQSXVZQLCHVLU-KRWDZBQOSA-N 0 3 374.828 2.833 20 5 FFBDHN CC1CCN(CCNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000184449573 510329752 /nfs/dbraw/zinc/32/97/52/510329752.db2.gz VJQCSQCUUFUUMF-UHFFFAOYSA-N 0 3 354.838 2.779 20 5 FFBDHN C[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(N2CCOC2=O)c1 ZINC000181314225 510351669 /nfs/dbraw/zinc/35/16/69/510351669.db2.gz OWVGSMNLARDUMC-SCLBCKFNSA-N 0 3 371.393 2.936 20 5 FFBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2cccnc2)cc1 ZINC000181323372 510356360 /nfs/dbraw/zinc/35/63/60/510356360.db2.gz JBTVCBADPPEYNY-LIRRHRJNSA-N 0 3 367.409 2.565 20 5 FFBDHN Cc1ccc(CCN(CCn2cc([N+](=O)[O-])cn2)C[C@H]2CCCO2)cc1 ZINC000174879560 510361635 /nfs/dbraw/zinc/36/16/35/510361635.db2.gz XFAAONUVLYDXPG-LJQANCHMSA-N 0 3 358.442 2.823 20 5 FFBDHN Nc1c(C(=O)NC[C@H](c2ccccc2)N2CCCC2)cccc1[N+](=O)[O-] ZINC000178151094 510459982 /nfs/dbraw/zinc/45/99/82/510459982.db2.gz VHPSYBBXNYNBIS-QGZVFWFLSA-N 0 3 354.410 2.744 20 5 FFBDHN Nc1c(C(=O)N2CCCN(CC3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000178176205 510472080 /nfs/dbraw/zinc/47/20/80/510472080.db2.gz NXNUQRAIOYXHHW-UHFFFAOYSA-N 0 3 360.458 2.905 20 5 FFBDHN CC[C@H]1CCCCN1CCNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000172153989 510573154 /nfs/dbraw/zinc/57/31/54/510573154.db2.gz LARCQZWETCNAAC-HNNXBMFYSA-N 0 3 364.446 2.667 20 5 FFBDHN Cc1ccc([C@@H](C)NCCn2cnc3ccccc3c2=O)cc1[N+](=O)[O-] ZINC000181815484 510607974 /nfs/dbraw/zinc/60/79/74/510607974.db2.gz KHHJJOXRSXXDOC-CQSZACIVSA-N 0 3 352.394 2.964 20 5 FFBDHN CC(C)C[C@]1(CO)CCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000191640011 510766690 /nfs/dbraw/zinc/76/66/90/510766690.db2.gz IJXXDFIIHACXOU-SFHVURJKSA-N 0 3 350.415 2.834 20 5 FFBDHN O=[N+]([O-])c1cccc(OCCN[C@@H](CN2CCOCC2)c2ccccc2)c1 ZINC000182135961 510776058 /nfs/dbraw/zinc/77/60/58/510776058.db2.gz KXMIOYFDROTNCT-FQEVSTJZSA-N 0 3 371.437 2.637 20 5 FFBDHN COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000270433161 510807810 /nfs/dbraw/zinc/80/78/10/510807810.db2.gz JNSFWKBMNHFDSB-MAUKXSAKSA-N 0 3 364.398 2.673 20 5 FFBDHN COc1cc(C(=O)N[C@H](C)CN2CCCCCC2)c([N+](=O)[O-])cc1OC ZINC000185412116 510838468 /nfs/dbraw/zinc/83/84/68/510838468.db2.gz QKTPCIWRXUNLBY-CYBMUJFWSA-N 0 3 365.430 2.606 20 5 FFBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000247454082 510861256 /nfs/dbraw/zinc/86/12/56/510861256.db2.gz QLJYHESONXMVPU-GOEBONIOSA-N 0 3 360.458 2.607 20 5 FFBDHN COc1ccc(OC)c([C@H](O)CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000293887178 510888418 /nfs/dbraw/zinc/88/84/18/510888418.db2.gz VSAONHODHCBJJQ-APPDUMDISA-N 0 3 361.398 2.578 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(N2CCC(N3CCN(C(C)C)CC3)CC2)c1 ZINC000270514515 510892801 /nfs/dbraw/zinc/89/28/01/510892801.db2.gz XVCJBZRYFMTEFF-UHFFFAOYSA-N 0 3 362.474 2.598 20 5 FFBDHN CN1CC[C@]2(CCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)C1 ZINC000293927701 510901430 /nfs/dbraw/zinc/90/14/30/510901430.db2.gz QEAPJKNIYBVZHS-HNNXBMFYSA-N 0 3 357.332 2.781 20 5 FFBDHN O=C(CCN1CCC[C@@H](c2ncc[nH]2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000364604031 510965550 /nfs/dbraw/zinc/96/55/50/510965550.db2.gz HIVMQIHWFVPVCV-GFCCVEGCSA-N 0 3 361.377 2.665 20 5 FFBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000282646054 511059198 /nfs/dbraw/zinc/05/91/98/511059198.db2.gz HLTPKNUUMAWRMT-MLGOLLRUSA-N 0 3 354.834 2.906 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](c2ccncn2)C1 ZINC000361650749 511074814 /nfs/dbraw/zinc/07/48/14/511074814.db2.gz AVBSYEKDDOJABC-OAHLLOKOSA-N 0 3 369.425 2.901 20 5 FFBDHN COCCCN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000291511121 511226322 /nfs/dbraw/zinc/22/63/22/511226322.db2.gz WQEHRJSBYQYZHE-UHFFFAOYSA-N 0 3 369.849 2.821 20 5 FFBDHN C[C@H]1C[C@@H](N(C)C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CCN1C ZINC000294934740 511226649 /nfs/dbraw/zinc/22/66/49/511226649.db2.gz LEVDQBITTNXWDI-WFASDCNBSA-N 0 3 357.414 2.540 20 5 FFBDHN CC[C@@H]1CCCCN1CCNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000294964765 511237075 /nfs/dbraw/zinc/23/70/75/511237075.db2.gz PRKLQVXGHXKSJH-GFCCVEGCSA-N 0 3 353.394 2.737 20 5 FFBDHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1OC(F)F ZINC000271769458 511317164 /nfs/dbraw/zinc/31/71/64/511317164.db2.gz NPEQXAMRTUIYAR-LLVKDONJSA-N 0 3 353.325 2.709 20 5 FFBDHN CN1CC[C@]2(CCN(C(=O)c3cccc([N+](=O)[O-])c3Br)C2)C1 ZINC000295218975 511325640 /nfs/dbraw/zinc/32/56/40/511325640.db2.gz AWVIOTRYKHDNFQ-HNNXBMFYSA-N 0 3 368.231 2.525 20 5 FFBDHN O=C(NC1CC(N2CCCCC2)C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000365419842 511440158 /nfs/dbraw/zinc/44/01/58/511440158.db2.gz FZYWYMQDMLHOIN-UHFFFAOYSA-N 0 3 369.425 2.527 20 5 FFBDHN C[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCN(C2CCC2)C1 ZINC000292077880 511457203 /nfs/dbraw/zinc/45/72/03/511457203.db2.gz DBMJHAIKDLJJRG-CQSZACIVSA-N 0 3 371.441 2.951 20 5 FFBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cc2ccccc2c2cccnc12 ZINC000363377099 511512792 /nfs/dbraw/zinc/51/27/92/511512792.db2.gz WRKNZRAVCLNKJA-IAGOWNOFSA-N 0 3 361.445 2.981 20 5 FFBDHN CN(C)[C@@H]1CCCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC000281031101 511696291 /nfs/dbraw/zinc/69/62/91/511696291.db2.gz VFDINUSLLXZBJL-OAHLLOKOSA-N 0 3 354.410 2.823 20 5 FFBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000296450741 511747777 /nfs/dbraw/zinc/74/77/77/511747777.db2.gz IQIPVKGUXWYONM-KSSFIOAISA-N 0 3 369.425 2.541 20 5 FFBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000296450747 511748390 /nfs/dbraw/zinc/74/83/90/511748390.db2.gz IQIPVKGUXWYONM-RDTXWAMCSA-N 0 3 369.425 2.541 20 5 FFBDHN Cc1ccnc(C2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000363796324 511773528 /nfs/dbraw/zinc/77/35/28/511773528.db2.gz BEWBVUNUXQGERP-UHFFFAOYSA-N 0 3 369.425 2.901 20 5 FFBDHN CN1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[C@H]1c1cccs1 ZINC000366141308 511863305 /nfs/dbraw/zinc/86/33/05/511863305.db2.gz BHVPSNVEHBNFQX-LRDDRELGSA-N 0 3 360.439 2.864 20 5 FFBDHN Cc1n[nH]c(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000274580738 511879257 /nfs/dbraw/zinc/87/92/57/511879257.db2.gz SGIOJASEKYRLAE-OAHLLOKOSA-N 0 3 359.430 2.513 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000285236972 512047687 /nfs/dbraw/zinc/04/76/87/512047687.db2.gz PLFJXRYHJBFMGK-GFCCVEGCSA-N 0 3 365.430 2.948 20 5 FFBDHN CN1CC[C@]2(CCN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)C1 ZINC000366533838 512076345 /nfs/dbraw/zinc/07/63/45/512076345.db2.gz UNWNSBJODNRAGI-SFHVURJKSA-N 0 3 372.450 2.886 20 5 FFBDHN O=C(CN[C@@H](c1ccccc1)[C@@H]1CCOC1)Nc1ccccc1[N+](=O)[O-] ZINC000371556541 512463982 /nfs/dbraw/zinc/46/39/82/512463982.db2.gz ZFDUCLOBYZYLCX-BEFAXECRSA-N 0 3 355.394 2.901 20 5 FFBDHN C[C@@H]1CN(C[C@H]2CCCN2CCOc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000374028061 512630353 /nfs/dbraw/zinc/63/03/53/512630353.db2.gz VYVMGPPATCRFJP-IXDOHACOSA-N 0 3 363.458 2.547 20 5 FFBDHN Cc1ccc([C@@H](C)NCCC(=O)Nc2ccc(C(N)=O)cc2)cc1[N+](=O)[O-] ZINC000411476804 512654431 /nfs/dbraw/zinc/65/44/31/512654431.db2.gz QMQFDNCNYJQHFT-CYBMUJFWSA-N 0 3 370.409 2.682 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(c2ccccn2)CC1 ZINC000367834396 512682167 /nfs/dbraw/zinc/68/21/67/512682167.db2.gz WUMGVWDVRVMFFD-INIZCTEOSA-N 0 3 357.410 2.609 20 5 FFBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000367845093 512686845 /nfs/dbraw/zinc/68/68/45/512686845.db2.gz ZXYDEXHBLYKKKS-WCQYABFASA-N 0 3 369.368 2.895 20 5 FFBDHN C[C@@H](N[C@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000370167936 512799852 /nfs/dbraw/zinc/79/98/52/512799852.db2.gz WZDFWORPOJLTKL-HIFRSBDPSA-N 0 3 354.410 2.623 20 5 FFBDHN O=[N+]([O-])c1ccc2[nH]c(=NC3CCN(Cc4ccccc4)CC3)[nH]c2c1 ZINC000386716515 512890215 /nfs/dbraw/zinc/89/02/15/512890215.db2.gz LRCXQJBFPDMJNN-UHFFFAOYSA-N 0 3 351.410 2.970 20 5 FFBDHN Cc1cc(C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)cc([N+](=O)[O-])c1 ZINC000370502672 512966952 /nfs/dbraw/zinc/96/69/52/512966952.db2.gz IJEQKAIUYDTRFK-INIZCTEOSA-N 0 3 355.394 2.873 20 5 FFBDHN C[C@@H](CNC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)N(C)C ZINC000412381951 513059815 /nfs/dbraw/zinc/05/98/15/513059815.db2.gz AXWRYJNSGIOINR-KKUMJFAQSA-N 0 3 362.474 2.757 20 5 FFBDHN CCCN1C[C@@H](CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CC1=O ZINC000421355041 513233036 /nfs/dbraw/zinc/23/30/36/513233036.db2.gz TUEZGCWATMAHTQ-LLVKDONJSA-N 0 3 357.357 2.544 20 5 FFBDHN COc1ccc(NC(=O)NC[C@@H]2NCCc3ccccc32)cc1[N+](=O)[O-] ZINC000415436944 513260834 /nfs/dbraw/zinc/26/08/34/513260834.db2.gz JZJOPKIOGSSMKA-HNNXBMFYSA-N 0 3 356.382 2.612 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)Nc1ccc(CN(C)C)cc1 ZINC000446662854 513309478 /nfs/dbraw/zinc/30/94/78/513309478.db2.gz XQYYUSGQQYVFHW-UHFFFAOYSA-N 0 3 370.409 2.850 20 5 FFBDHN O=C(NC[C@@H]1CCCCN1C1CC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000434424051 513319854 /nfs/dbraw/zinc/31/98/54/513319854.db2.gz HLZVUZVVBVCJAP-KRWDZBQOSA-N 0 3 369.425 2.527 20 5 FFBDHN CCOC(=O)C1CCC(O)(CN[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000429331922 513343382 /nfs/dbraw/zinc/34/33/82/513343382.db2.gz ILYWPZYQGQHTCI-VNSJNIRKSA-N 0 3 350.415 2.730 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000450864450 513372639 /nfs/dbraw/zinc/37/26/39/513372639.db2.gz QZKSDYJZGKSZCO-MORSLUCNSA-N 0 3 359.426 2.779 20 5 FFBDHN CN1C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)[C@@H]2C1 ZINC000425058699 513393889 /nfs/dbraw/zinc/39/38/89/513393889.db2.gz PDJJHWRUPDOOBP-IINYFYTJSA-N 0 3 357.332 2.780 20 5 FFBDHN Cc1ccc(C)c(S(=O)(=O)[N-]Cc2ccc([C@H](C)[NH3+])cc2)c1[N+](=O)[O-] ZINC000440730294 513393875 /nfs/dbraw/zinc/39/38/75/513393875.db2.gz ATXYLRBXZXWLEF-ZDUSSCGKSA-N 0 3 363.439 2.710 20 5 FFBDHN CCc1nn(C)c(CC)c1CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447587709 513515858 /nfs/dbraw/zinc/51/58/58/513515858.db2.gz RXXWRDAUWAQTDH-WBVHZDCISA-N 0 3 360.462 2.923 20 5 FFBDHN CN(C)[C@@H](CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000416187829 513632361 /nfs/dbraw/zinc/63/23/61/513632361.db2.gz GYJUBUSJAYEXEJ-SFHVURJKSA-N 0 3 354.410 2.568 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCN2C2CCCCC2)cc1 ZINC000435629702 513643923 /nfs/dbraw/zinc/64/39/23/513643923.db2.gz USVMVVUQPHTKMQ-MRXNPFEDSA-N 0 3 367.471 2.670 20 5 FFBDHN COc1ccc(CNC(=O)NC[C@H]2N(C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000447982648 513646848 /nfs/dbraw/zinc/64/68/48/513646848.db2.gz MFBVENCTYWPXNS-MRXNPFEDSA-N 0 3 364.446 2.523 20 5 FFBDHN CN1CC[C@@H](CNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436070264 513752119 /nfs/dbraw/zinc/75/21/19/513752119.db2.gz VLVQYPKVCIBUJH-NSHDSACASA-N 0 3 371.387 2.641 20 5 FFBDHN CCOc1ccc(NC(=O)CN[C@H]2C[C@](C)(OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451484804 513779486 /nfs/dbraw/zinc/77/94/86/513779486.db2.gz HRPIUQAQLQYNEJ-YJBOKZPZSA-N 0 3 365.430 2.725 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000451489069 513783130 /nfs/dbraw/zinc/78/31/30/513783130.db2.gz BSAXARBALMMEPW-CVEARBPZSA-N 0 3 365.430 2.724 20 5 FFBDHN CCO[C@@H]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@@H]1C ZINC000451522737 513805192 /nfs/dbraw/zinc/80/51/92/513805192.db2.gz BRHLXPCNNKXSNP-XJKSGUPXSA-N 0 3 363.414 2.640 20 5 FFBDHN COc1cc(C)c(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1OC ZINC000425962505 513807787 /nfs/dbraw/zinc/80/77/87/513807787.db2.gz YMLZDGWUWZOLOM-UHFFFAOYSA-N 0 3 360.414 2.954 20 5 FFBDHN CN(C)[C@H]1CCCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436337504 513832680 /nfs/dbraw/zinc/83/26/80/513832680.db2.gz FKJQFKANFNDZAI-ZDUSSCGKSA-N 0 3 367.424 2.987 20 5 FFBDHN CC(C)[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](CO)C(C)C ZINC000451589454 513851649 /nfs/dbraw/zinc/85/16/49/513851649.db2.gz AODVHWNTLLJXMH-GRDNDAEWSA-N 0 3 351.447 2.801 20 5 FFBDHN CC(C)[C@@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H](CO)C(C)C ZINC000451600773 513860213 /nfs/dbraw/zinc/86/02/13/513860213.db2.gz SQXRKPRTJKNONQ-RCCFBDPRSA-N 0 3 363.458 2.579 20 5 FFBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448780394 513896207 /nfs/dbraw/zinc/89/62/07/513896207.db2.gz JTEABVRVSHWLKH-LSDHHAIUSA-N 0 3 371.441 2.631 20 5 FFBDHN C[C@@H](O)[C@@H](CO)NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000419824133 513944578 /nfs/dbraw/zinc/94/45/78/513944578.db2.gz YYNRUMNNEAEJOK-IAQYHMDHSA-N 0 3 366.801 2.872 20 5 FFBDHN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000420343029 514102953 /nfs/dbraw/zinc/10/29/53/514102953.db2.gz YGPKSRNQGSZGQN-DNVCBOLYSA-N 0 3 368.437 2.877 20 5 FFBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2CN2CCCCC2)n1 ZINC000427124645 514124412 /nfs/dbraw/zinc/12/44/12/514124412.db2.gz UKMHBMPUPWWGAC-UHFFFAOYSA-N 0 3 371.441 2.727 20 5 FFBDHN C[C@@H](c1ccccc1)N1CC[C@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420581459 514190384 /nfs/dbraw/zinc/19/03/84/514190384.db2.gz GZLHVIRLYSEKAS-ZFWWWQNUSA-N 0 3 354.410 2.941 20 5 FFBDHN CN(c1c(C(N)=O)cccc1[N+](=O)[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000420606905 514198313 /nfs/dbraw/zinc/19/83/13/514198313.db2.gz YXXPRBSYWUMQIO-INIZCTEOSA-N 0 3 368.437 2.795 20 5 FFBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000452120839 514204939 /nfs/dbraw/zinc/20/49/39/514204939.db2.gz JNTUOKHUXPMVJV-DAYGRLMNSA-N 0 3 373.453 2.746 20 5 FFBDHN CO[C@H]1COCC[C@H]1CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449452472 514215474 /nfs/dbraw/zinc/21/54/74/514215474.db2.gz GAQQBOIWGFJDKB-BBRMVZONSA-N 0 3 363.439 2.859 20 5 FFBDHN CC(C)[C@@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCCCC1 ZINC000444628032 514277922 /nfs/dbraw/zinc/27/79/22/514277922.db2.gz BYNQITCHXPAPHV-KRWDZBQOSA-N 0 3 359.430 2.598 20 5 FFBDHN CN(C)Cc1ccccc1C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000427959993 514357892 /nfs/dbraw/zinc/35/78/92/514357892.db2.gz SOGGZOPGZVOQGH-UHFFFAOYSA-N 0 3 355.394 2.691 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000444909727 514366051 /nfs/dbraw/zinc/36/60/51/514366051.db2.gz ZIDPMVZZIGIGJF-BETUJISGSA-N 0 3 350.419 2.988 20 5 FFBDHN CC(C)(C(=O)NCCCNCc1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000428149984 514408724 /nfs/dbraw/zinc/40/87/24/514408724.db2.gz IIJOIRKNWNVTPB-UHFFFAOYSA-N 0 3 356.426 2.564 20 5 FFBDHN CCCN(CCN(CC)CC)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000461369547 514583687 /nfs/dbraw/zinc/58/36/87/514583687.db2.gz DDIQCJIIAJTXMM-UHFFFAOYSA-N 0 3 362.474 2.538 20 5 FFBDHN CN(C)CCOc1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)ccn1 ZINC000497691781 514598911 /nfs/dbraw/zinc/59/89/11/514598911.db2.gz JGOLODBMTMGMJI-UHFFFAOYSA-N 0 3 364.789 2.836 20 5 FFBDHN CN(C)CCN(Cc1ccsc1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000458198858 514621247 /nfs/dbraw/zinc/62/12/47/514621247.db2.gz HWZHQQWNWGKKCS-UHFFFAOYSA-N 0 3 363.439 2.626 20 5 FFBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1(CN(C)C)CCC1 ZINC000466575727 514696810 /nfs/dbraw/zinc/69/68/10/514696810.db2.gz KDOHPZIRFZGFMM-LLVKDONJSA-N 0 3 355.822 2.616 20 5 FFBDHN CN(C)CCOC1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000484661767 514737954 /nfs/dbraw/zinc/73/79/54/514737954.db2.gz DTXHUUGVYKVKDE-UHFFFAOYSA-N 0 3 372.263 2.904 20 5 FFBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000466923252 514829123 /nfs/dbraw/zinc/82/91/23/514829123.db2.gz JFNHNDHENWGVBG-RDTXWAMCSA-N 0 3 360.458 2.998 20 5 FFBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000489416113 514837249 /nfs/dbraw/zinc/83/72/49/514837249.db2.gz YYMHWPAUFUCVHA-DAYGRLMNSA-N 0 3 360.458 2.509 20 5 FFBDHN CN(C)[C@]1(CNc2ncc([N+](=O)[O-])cc2Br)CCSC1 ZINC000485154081 514937721 /nfs/dbraw/zinc/93/77/21/514937721.db2.gz UCQOZOHUZRVVQS-LBPRGKRZSA-N 0 3 361.265 2.602 20 5 FFBDHN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000503473112 515045803 /nfs/dbraw/zinc/04/58/03/515045803.db2.gz VNWNNCDGJIZKFD-OAHLLOKOSA-N 0 3 372.425 2.755 20 5 FFBDHN Cc1ccc(C)c(S(=O)(=O)NCC(C)(C)CN2CCCC2)c1[N+](=O)[O-] ZINC000480765152 515074763 /nfs/dbraw/zinc/07/47/63/515074763.db2.gz YXRPDWHVYUHLQI-UHFFFAOYSA-N 0 3 369.487 2.612 20 5 FFBDHN CC[C@H]1CN(CC)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000456342148 515110639 /nfs/dbraw/zinc/11/06/39/515110639.db2.gz FPFCTTZAPVJYDX-AWEZNQCLSA-N 0 3 357.414 2.541 20 5 FFBDHN COc1c(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000476696909 515161916 /nfs/dbraw/zinc/16/19/16/515161916.db2.gz VVZAFWUDJXDZOG-YOEHRIQHSA-N 0 3 369.421 2.854 20 5 FFBDHN Cn1c(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000490512226 515234133 /nfs/dbraw/zinc/23/41/33/515234133.db2.gz CBJGNCRPOXSVNJ-LJQANCHMSA-N 0 3 356.426 2.718 20 5 FFBDHN CNc1c(C(=O)NCCCN2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000462913616 515296565 /nfs/dbraw/zinc/29/65/65/515296565.db2.gz VBOZCDZWZXZWBS-UHFFFAOYSA-N 0 3 368.437 2.815 20 5 FFBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000490843996 515315755 /nfs/dbraw/zinc/31/57/55/515315755.db2.gz DHANQDBRAOHAGM-MRXNPFEDSA-N 0 3 369.512 2.874 20 5 FFBDHN C[C@@H]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000463072975 515359567 /nfs/dbraw/zinc/35/95/67/515359567.db2.gz XRMWKVZCZJRTED-OAHLLOKOSA-N 0 3 368.437 2.795 20 5 FFBDHN CN(C)CCN(Cc1ccccc1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000463535361 515536995 /nfs/dbraw/zinc/53/69/95/515536995.db2.gz ZRCBOOBVGZFZTP-UHFFFAOYSA-N 0 3 370.453 2.621 20 5 FFBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)n1 ZINC000510552389 515583036 /nfs/dbraw/zinc/58/30/36/515583036.db2.gz QGQOCBZFYQATLN-GUYCJALGSA-N 0 3 359.430 2.541 20 5 FFBDHN CCN1CCC(NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000454622284 515616956 /nfs/dbraw/zinc/61/69/56/515616956.db2.gz QYMWLLWOLAJZPQ-INIZCTEOSA-N 0 3 360.458 2.968 20 5 FFBDHN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCCN3CCCC3)cc2[N+](=O)[O-])C1 ZINC000500269551 515651001 /nfs/dbraw/zinc/65/10/01/515651001.db2.gz ZSNLNRSXTVVPDK-IYBDPMFKSA-N 0 3 374.485 2.903 20 5 FFBDHN COc1cc(CN[C@@H]2CCO[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493763608 515659711 /nfs/dbraw/zinc/65/97/11/515659711.db2.gz IJUXXWBMPHHFRF-CMPLNLGQSA-N 0 3 360.357 2.904 20 5 FFBDHN C[C@H](CNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)N(C)C ZINC000500300493 515660057 /nfs/dbraw/zinc/66/00/57/515660057.db2.gz AXWRYJNSGIOINR-RBSFLKMASA-N 0 3 362.474 2.757 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCN(C(C)C)C2)cc1SC ZINC000457127124 515670964 /nfs/dbraw/zinc/67/09/64/515670964.db2.gz REJLBPMKJKUWPQ-LBPRGKRZSA-N 0 3 367.471 2.880 20 5 FFBDHN COc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000494006103 515711481 /nfs/dbraw/zinc/71/14/81/515711481.db2.gz GEEPOXXILYVORV-WMLDXEAASA-N 0 3 369.421 2.996 20 5 FFBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCc2nn(C)cc21 ZINC000511004249 515741910 /nfs/dbraw/zinc/74/19/10/515741910.db2.gz YXJYLRBUFDCBPD-LRDDRELGSA-N 0 3 357.414 2.713 20 5 FFBDHN CCOC[C@@H]1CCCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000459721952 515769950 /nfs/dbraw/zinc/76/99/50/515769950.db2.gz UJMMQAKRNKKMQM-HNNXBMFYSA-N 0 3 365.430 2.823 20 5 FFBDHN COc1ccccc1[C@H]1[C@@H](N)CCCN1C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000457366911 515830687 /nfs/dbraw/zinc/83/06/87/515830687.db2.gz VGOVSQCMNNGZJQ-WMZOPIPTSA-N 0 3 370.409 2.611 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000494669779 515918823 /nfs/dbraw/zinc/91/88/23/515918823.db2.gz CSIPEUQGRYEFIX-CQSZACIVSA-N 0 3 357.410 2.854 20 5 FFBDHN COc1cnccc1N1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000487720654 515954159 /nfs/dbraw/zinc/95/41/59/515954159.db2.gz NNWAFXPVGDMVLT-UHFFFAOYSA-N 0 3 365.393 2.873 20 5 FFBDHN CCc1ccccc1CNCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000474376597 516018900 /nfs/dbraw/zinc/01/89/00/516018900.db2.gz WWMUGZWGEKPJGD-UHFFFAOYSA-N 0 3 358.394 2.999 20 5 FFBDHN CN(C)Cc1cccc(NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000465027353 516046732 /nfs/dbraw/zinc/04/67/32/516046732.db2.gz CKDQWHPBVDAETM-UHFFFAOYSA-N 0 3 371.393 2.609 20 5 FFBDHN C[C@@H]1C[C@@H](C)CN(C(C)(C)CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000507277840 516151528 /nfs/dbraw/zinc/15/15/28/516151528.db2.gz JGGWYGGGFTXTCZ-ZIAGYGMSSA-N 0 3 369.487 2.630 20 5 FFBDHN CC(=Cc1cccc([N+](=O)[O-])c1)CN1CCC(N2CCCNC2=O)CC1 ZINC000470169516 516159020 /nfs/dbraw/zinc/15/90/20/516159020.db2.gz FXBFPCOYEUCKBG-QINSGFPZSA-N 0 3 358.442 2.878 20 5 FFBDHN CCn1cc([C@@H]2NC(=O)CC[C@H]2N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000488483950 516236107 /nfs/dbraw/zinc/23/61/07/516236107.db2.gz IFRFMBJONUAMRO-CRFBAAHOSA-N 0 3 371.441 2.790 20 5 FFBDHN C[C@H](c1ccccc1)N1CC[C@@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000561153617 516412284 /nfs/dbraw/zinc/41/22/84/516412284.db2.gz FPRUCWBJWZQGDK-UKRRQHHQSA-N 0 3 354.410 2.941 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](CO)c1ccccc1C ZINC000543837306 516449954 /nfs/dbraw/zinc/44/99/54/516449954.db2.gz YVWWGVIRYAYLEA-GOSISDBHSA-N 0 3 357.410 2.863 20 5 FFBDHN Cc1ccccc1[C@H](CO)NCCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000543837983 516452669 /nfs/dbraw/zinc/45/26/69/516452669.db2.gz JYMONGRHRBOUCG-KRWDZBQOSA-N 0 3 357.410 2.863 20 5 FFBDHN COc1ccccc1C[C@H](C)N(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000544147274 516614110 /nfs/dbraw/zinc/61/41/10/516614110.db2.gz YSRSHCDXRVZLEY-RDJZCZTQSA-N 0 3 374.437 2.906 20 5 FFBDHN CN(CCN1CCN(Cc2csc([N+](=O)[O-])c2)CC1)Cc1ccccc1 ZINC000513443733 516623904 /nfs/dbraw/zinc/62/39/04/516623904.db2.gz OUBLLVMQXJWTHK-UHFFFAOYSA-N 0 3 374.510 2.906 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCOC2(CCOCC2)C1 ZINC000561542100 516640642 /nfs/dbraw/zinc/64/06/42/516640642.db2.gz CSWZHXFGUBOTTJ-HNNXBMFYSA-N 0 3 350.415 2.811 20 5 FFBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000536187756 516668077 /nfs/dbraw/zinc/66/80/77/516668077.db2.gz ARHWUOADEFVLFL-ZIAGYGMSSA-N 0 3 358.442 2.998 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000544298834 516687129 /nfs/dbraw/zinc/68/71/29/516687129.db2.gz GSDGHAAOEQYZJH-KBPBESRZSA-N 0 3 364.446 2.666 20 5 FFBDHN Cc1c(Br)c(N2CCC[C@H]3CN(C)CC[C@H]32)ncc1[N+](=O)[O-] ZINC000544395000 516739079 /nfs/dbraw/zinc/73/90/79/516739079.db2.gz SXENLPYTDSYSAG-NWDGAFQWSA-N 0 3 369.263 2.981 20 5 FFBDHN CC[C@@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000513763052 516746031 /nfs/dbraw/zinc/74/60/31/516746031.db2.gz VEDNCOFEYVKDEK-FUHWJXTLSA-N 0 3 357.458 2.882 20 5 FFBDHN CN(C)C1(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CCCCCC1 ZINC000558503420 516781490 /nfs/dbraw/zinc/78/14/90/516781490.db2.gz OAAKXKLPRFEQMM-UHFFFAOYSA-N 0 3 369.487 2.669 20 5 FFBDHN CN(C)CCOc1ccccc1-c1noc(-c2ccc([N+](=O)[O-])cn2)n1 ZINC000555111409 516785354 /nfs/dbraw/zinc/78/53/54/516785354.db2.gz TUKOBOINIHLHMI-UHFFFAOYSA-N 0 3 355.354 2.647 20 5 FFBDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000524716444 516800119 /nfs/dbraw/zinc/80/01/19/516800119.db2.gz LNGZGFYVSYLQMS-QGZVFWFLSA-N 0 3 370.453 2.918 20 5 FFBDHN CCN(CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)c1cccc(OC)c1 ZINC000532397580 516953659 /nfs/dbraw/zinc/95/36/59/516953659.db2.gz WIELCOHQQNNOMJ-GOSISDBHSA-N 0 3 372.425 2.811 20 5 FFBDHN CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCN(C2CC2)C1 ZINC000532583166 517046970 /nfs/dbraw/zinc/04/69/70/517046970.db2.gz VFWURGRWDVZEHR-QGZVFWFLSA-N 0 3 356.426 2.961 20 5 FFBDHN CN(C)CCSCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000555745570 517098329 /nfs/dbraw/zinc/09/83/29/517098329.db2.gz DCVFSTLRCKAYTQ-UHFFFAOYSA-N 0 3 351.350 2.847 20 5 FFBDHN Cc1c(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)cccc1[N+](=O)[O-] ZINC000552198735 517135389 /nfs/dbraw/zinc/13/53/89/517135389.db2.gz DRKDVVWUBQJDKG-MRXNPFEDSA-N 0 3 355.394 2.722 20 5 FFBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](CC(N)=O)c1ccccc1 ZINC000552381260 517232078 /nfs/dbraw/zinc/23/20/78/517232078.db2.gz CVTZYQFXHCEILM-DYVFJYSZSA-N 0 3 370.409 2.518 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000520274583 517326985 /nfs/dbraw/zinc/32/69/85/517326985.db2.gz MRKPMEXVRJFTEY-KBXCAEBGSA-N 0 3 369.421 2.996 20 5 FFBDHN CC(C)(C)[C@H]1C[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000515415606 517344725 /nfs/dbraw/zinc/34/47/25/517344725.db2.gz VAWUAWJWZGCWBA-XJKSGUPXSA-N 0 3 370.471 2.552 20 5 FFBDHN COc1ccc(CN(C)C)cc1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000533235036 517357622 /nfs/dbraw/zinc/35/76/22/517357622.db2.gz XKYKKCMHIWMDSJ-UHFFFAOYSA-N 0 3 361.402 2.764 20 5 FFBDHN COc1ccc(C[C@H]2CCCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)cc1 ZINC000515469985 517366271 /nfs/dbraw/zinc/36/62/71/517366271.db2.gz HPTIXRXXTYOQJS-QGZVFWFLSA-N 0 3 371.437 2.720 20 5 FFBDHN CN(C)C[C@H]1CCCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000542365430 517522812 /nfs/dbraw/zinc/52/28/12/517522812.db2.gz LRFZVPBCZJYKFD-GFCCVEGCSA-N 0 3 357.863 2.893 20 5 FFBDHN O=C([C@@H]1CNCc2ccccc21)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000520818283 517523067 /nfs/dbraw/zinc/52/30/67/517523067.db2.gz DLKNSGZPZNJEPH-LJQANCHMSA-N 0 3 351.406 2.973 20 5 FFBDHN C[C@@H](CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)Oc1ccc(F)cc1 ZINC000562993214 517567265 /nfs/dbraw/zinc/56/72/65/517567265.db2.gz AWAVUMZLMBWFEA-XJKSGUPXSA-N 0 3 364.373 2.531 20 5 FFBDHN COc1cc(C[C@H](CO)CNCc2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC000538412190 517608720 /nfs/dbraw/zinc/60/87/20/517608720.db2.gz KCVVKJCLYKFLEW-INIZCTEOSA-N 0 3 360.410 2.553 20 5 FFBDHN CN(C)CCOc1cccc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC000534040495 517718426 /nfs/dbraw/zinc/71/84/26/517718426.db2.gz RMVBAYRLPLCRBM-UHFFFAOYSA-N 0 3 372.425 2.899 20 5 FFBDHN Cc1ccccc1[C@@H]([C@H](C)Nc1nccc(C(N)=O)c1[N+](=O)[O-])N(C)C ZINC000516520875 517723084 /nfs/dbraw/zinc/72/30/84/517723084.db2.gz VRAVGXJJVJJRSQ-SWLSCSKDSA-N 0 3 357.414 2.500 20 5 FFBDHN C[C@H]1CCCCN1CCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000542781115 517736746 /nfs/dbraw/zinc/73/67/46/517736746.db2.gz IVLJWYNCAHAIOK-ZDUSSCGKSA-N 0 3 368.865 2.964 20 5 FFBDHN COC(=O)c1cc(C)nc(N2CCN(C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000553482592 517739601 /nfs/dbraw/zinc/73/96/01/517739601.db2.gz IARBECOKNXXHEC-UHFFFAOYSA-N 0 3 362.430 2.540 20 5 FFBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000534516830 517923292 /nfs/dbraw/zinc/92/32/92/517923292.db2.gz VITWQEXIQBCVHF-GJZGRUSLSA-N 0 3 360.458 2.783 20 5 FFBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000534690265 518001956 /nfs/dbraw/zinc/00/19/56/518001956.db2.gz FUWRNLVIYNKVEC-SFHVURJKSA-N 0 3 368.437 2.711 20 5 FFBDHN COC(=O)C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000543460421 518105276 /nfs/dbraw/zinc/10/52/76/518105276.db2.gz LYFYTNZSSTXAJN-OAHLLOKOSA-N 0 3 363.414 2.635 20 5 FFBDHN CC(C)C[C@@H](CN(C)C)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000569835031 518316846 /nfs/dbraw/zinc/31/68/46/518316846.db2.gz AJJRRIZCDKRQJX-INIZCTEOSA-N 0 3 350.463 2.755 20 5 FFBDHN C[C@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000578759911 518361281 /nfs/dbraw/zinc/36/12/81/518361281.db2.gz PCGNZZMYERPPQW-JTQLQIEISA-N 0 3 354.350 2.547 20 5 FFBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc2c1CCNC2 ZINC000573070994 518490950 /nfs/dbraw/zinc/49/09/50/518490950.db2.gz AVRKNZSIQISXJE-UHFFFAOYSA-N 0 3 354.410 2.947 20 5 FFBDHN CCCc1n[nH]c(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000579113622 518529502 /nfs/dbraw/zinc/52/95/02/518529502.db2.gz UACVBLCPCXKJOH-OAHLLOKOSA-N 0 3 371.441 2.617 20 5 FFBDHN CCCc1[nH]nc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000579113622 518529505 /nfs/dbraw/zinc/52/95/05/518529505.db2.gz UACVBLCPCXKJOH-OAHLLOKOSA-N 0 3 371.441 2.617 20 5 FFBDHN CC(C)COC[C@H](O)CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000581998488 518539013 /nfs/dbraw/zinc/53/90/13/518539013.db2.gz LHQACVLWRYJNMB-CQSZACIVSA-N 0 3 350.337 2.737 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCc3ccccc3[C@@H]2CN)c1 ZINC000579246920 518592025 /nfs/dbraw/zinc/59/20/25/518592025.db2.gz MRRSQYOKRFRHAL-SFHVURJKSA-N 0 3 355.394 2.692 20 5 FFBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@@H](c2cccnc2)C1 ZINC000573320659 518611035 /nfs/dbraw/zinc/61/10/35/518611035.db2.gz DMEHHNIXEZESCM-OAHLLOKOSA-N 0 3 368.393 2.777 20 5 FFBDHN CO[C@@H]1CN[C@@H](C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000582239974 518655945 /nfs/dbraw/zinc/65/59/45/518655945.db2.gz JYVBLOPUZJFWCE-DLBZAZTESA-N 0 3 357.366 2.703 20 5 FFBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCCN1CCCO[C@@H](C)C1 ZINC000588034059 518706952 /nfs/dbraw/zinc/70/69/52/518706952.db2.gz AYYOVJUDPRNBJQ-AWEZNQCLSA-N 0 3 365.430 2.603 20 5 FFBDHN Cc1cccc2c1OCC[C@H]2NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570955626 518859624 /nfs/dbraw/zinc/85/96/24/518859624.db2.gz TWGLURMXETUQKS-GDBMZVCRSA-N 0 3 358.394 2.756 20 5 FFBDHN CCN(C[C@@H]1CCCN1CC)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000565323080 518898485 /nfs/dbraw/zinc/89/84/85/518898485.db2.gz MNZRHUASPOXUSX-HNNXBMFYSA-N 0 3 371.441 2.727 20 5 FFBDHN CN(C)[C@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)C1CCCCC1 ZINC000568354687 518995768 /nfs/dbraw/zinc/99/57/68/518995768.db2.gz LMANTAQICWOWSL-MRXNPFEDSA-N 0 3 359.430 2.588 20 5 FFBDHN CN(C)C[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Cl)cc1 ZINC000571476679 519113910 /nfs/dbraw/zinc/11/39/10/519113910.db2.gz KGBXDORJJNFTFY-LBPRGKRZSA-N 0 3 351.790 2.916 20 5 FFBDHN CS[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)C[C@@H]1N1CCCC1 ZINC000583392193 519225055 /nfs/dbraw/zinc/22/50/55/519225055.db2.gz XZIUYTUBTKWTSY-LSDHHAIUSA-N 0 3 366.487 2.793 20 5 FFBDHN COC(=O)c1ccnc(NC[C@@H](c2cccs2)N(C)C)c1[N+](=O)[O-] ZINC000590570267 519269717 /nfs/dbraw/zinc/26/97/17/519269717.db2.gz YAKCOJPUAKCVHV-NSHDSACASA-N 0 3 350.400 2.553 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCCc3ccccc3C2)cc1 ZINC000590649681 519302851 /nfs/dbraw/zinc/30/28/51/519302851.db2.gz PPPOSXALYCAAGU-KRWDZBQOSA-N 0 3 374.462 2.906 20 5 FFBDHN CCO[C@@H]1C[C@H](NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C12CCCC2 ZINC000590739522 519342005 /nfs/dbraw/zinc/34/20/05/519342005.db2.gz WAVYGNDBHZAWAH-ZWKOTPCHSA-N 0 3 373.453 2.811 20 5 FFBDHN Cc1ccc(CN2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)nc1 ZINC000591028408 519484394 /nfs/dbraw/zinc/48/43/94/519484394.db2.gz KSITUHKOHQHQPQ-UHFFFAOYSA-N 0 3 366.425 2.887 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CN[C@H]1CCN(c3ccc(F)cc3)C1)OCCO2 ZINC000591267372 519567197 /nfs/dbraw/zinc/56/71/97/519567197.db2.gz FZZJNEBFJLJOSH-HNNXBMFYSA-N 0 3 373.384 2.874 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CNCC[C@H]1COc3ccccc3O1)OCCO2 ZINC000591357227 519607182 /nfs/dbraw/zinc/60/71/82/519607182.db2.gz PBFJBCYWEMSGMZ-AWEZNQCLSA-N 0 3 372.377 2.686 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000602848464 519924678 /nfs/dbraw/zinc/92/46/78/519924678.db2.gz VNCCRDVNUCOIGI-JSGCOSHPSA-N 0 3 352.435 2.542 20 5 FFBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000594417293 519952250 /nfs/dbraw/zinc/95/22/50/519952250.db2.gz BKYCBSTXESAQEC-IRXDYDNUSA-N 0 3 370.409 2.595 20 5 FFBDHN Cc1noc(C)c1[C@@H](C)NCCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000612461582 519973457 /nfs/dbraw/zinc/97/34/57/519973457.db2.gz JWZLVBQZBNJHEW-SNVBAGLBSA-N 0 3 360.370 2.848 20 5 FFBDHN C[C@H](C(=O)N1CCN(c2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000612477943 519982825 /nfs/dbraw/zinc/98/28/25/519982825.db2.gz HEYQXNPAHFJUKC-ZDUSSCGKSA-N 0 3 358.373 2.581 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1ccccc1N1CCCC1 ZINC000591727968 520012884 /nfs/dbraw/zinc/01/28/84/520012884.db2.gz QXBJMPSMVFNYDW-KRWDZBQOSA-N 0 3 371.437 2.725 20 5 FFBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCNC2(CCCCC2)C1 ZINC000594628966 520061066 /nfs/dbraw/zinc/06/10/66/520061066.db2.gz RVQJUSDTRGACPK-UHFFFAOYSA-N 0 3 360.458 2.922 20 5 FFBDHN Cc1ccccc1CC1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000612678086 520086067 /nfs/dbraw/zinc/08/60/67/520086067.db2.gz ZGCRHXYNBYTPNO-LJQANCHMSA-N 0 3 356.422 2.817 20 5 FFBDHN COC(=O)c1cnc(NC[C@@H]2CN(C)C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000591985570 520120844 /nfs/dbraw/zinc/12/08/44/520120844.db2.gz LSQRZMNIXBAQQP-CVEARBPZSA-N 0 3 370.409 2.534 20 5 FFBDHN COC(=O)C1(CN(Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)CC1 ZINC000592133480 520209741 /nfs/dbraw/zinc/20/97/41/520209741.db2.gz VORNWQJQPSYULT-WKILWMFISA-N 0 3 362.426 2.654 20 5 FFBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000594990974 520246021 /nfs/dbraw/zinc/24/60/21/520246021.db2.gz WGDBFJNGLSKGJG-KZFWWMDYSA-N 0 3 357.454 2.841 20 5 FFBDHN COC(=O)COc1ccc(CNC[C@@H]2C(C)(C)C2(F)F)cc1[N+](=O)[O-] ZINC000594991171 520246479 /nfs/dbraw/zinc/24/64/79/520246479.db2.gz FQIKTISQBOGNIK-CYBMUJFWSA-N 0 3 358.341 2.528 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC(C)(C)[C@]1(O)CCCOC1 ZINC000594996540 520249364 /nfs/dbraw/zinc/24/93/64/520249364.db2.gz OZQLDXIKDQXEFG-SFHVURJKSA-N 0 3 352.431 2.651 20 5 FFBDHN C[C@@H](c1ccccc1)[C@@H](O)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000595001974 520250948 /nfs/dbraw/zinc/25/09/48/520250948.db2.gz YTHFWWWBNYJZRM-GUYCJALGSA-N 0 3 358.394 2.620 20 5 FFBDHN COc1cc(CNc2ccnc(C)c2Br)c([N+](=O)[O-])cc1O ZINC000616955449 520256130 /nfs/dbraw/zinc/25/61/30/520256130.db2.gz XEHXKXOWKFPWGE-UHFFFAOYSA-N 0 3 368.187 2.809 20 5 FFBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCN1C1CCCC1 ZINC000600470921 520279808 /nfs/dbraw/zinc/27/98/08/520279808.db2.gz JRBBCIKYCGJDFZ-GOSISDBHSA-N 0 3 360.458 2.920 20 5 FFBDHN O=C(NC[C@H]1CCN1C1CCCC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000600472761 520280739 /nfs/dbraw/zinc/28/07/39/520280739.db2.gz PXJXZBJMKUQIAD-CYBMUJFWSA-N 0 3 369.368 2.943 20 5 FFBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1c(C2CC2)cnn1C ZINC000595076101 520282683 /nfs/dbraw/zinc/28/26/83/520282683.db2.gz DZZWFLCEWRBLEB-GFCCVEGCSA-N 0 3 357.414 2.713 20 5 FFBDHN C[C@@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCCC[C@H]1C ZINC000609547788 520353758 /nfs/dbraw/zinc/35/37/58/520353758.db2.gz JIPGANJFJUELJK-OLZOCXBDSA-N 0 3 372.425 2.841 20 5 FFBDHN COc1ccc(-c2ccc(CNCCCc3ncn(C)n3)o2)c([N+](=O)[O-])c1 ZINC000592373471 520356640 /nfs/dbraw/zinc/35/66/40/520356640.db2.gz SHSJSGOARZNDDA-UHFFFAOYSA-N 0 3 371.397 2.714 20 5 FFBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCN(Cc2ccccc2)C1 ZINC000603929291 520407739 /nfs/dbraw/zinc/40/77/39/520407739.db2.gz JAVSISHMAUACRI-HNNXBMFYSA-N 0 3 354.410 2.641 20 5 FFBDHN COc1ccc(CNC(=O)NC[C@H](C)N2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000604105759 520451737 /nfs/dbraw/zinc/45/17/37/520451737.db2.gz XQARYGNLMCUFGU-KBPBESRZSA-N 0 3 364.446 2.523 20 5 FFBDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000598195758 520486550 /nfs/dbraw/zinc/48/65/50/520486550.db2.gz RLBZEKNEKOCHIA-FQEVSTJZSA-N 0 3 367.449 2.913 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000598196120 520487301 /nfs/dbraw/zinc/48/73/01/520487301.db2.gz ZUADRTRGMPBYCZ-KRWDZBQOSA-N 0 3 368.437 2.687 20 5 FFBDHN Cc1n[nH]c(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000609996196 520500181 /nfs/dbraw/zinc/50/01/81/520500181.db2.gz XPVFFKARRNVCCO-CZUORRHYSA-N 0 3 371.441 2.751 20 5 FFBDHN Cc1[nH]nc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000609996196 520500190 /nfs/dbraw/zinc/50/01/90/520500190.db2.gz XPVFFKARRNVCCO-CZUORRHYSA-N 0 3 371.441 2.751 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000610121992 520549473 /nfs/dbraw/zinc/54/94/73/520549473.db2.gz KYKRZNULXIGRAT-HNNXBMFYSA-N 0 3 356.426 2.670 20 5 FFBDHN CCCN1CC[C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000598342461 520566100 /nfs/dbraw/zinc/56/61/00/520566100.db2.gz NPOZNSVIIWDZIH-CYBMUJFWSA-N 0 3 360.439 2.932 20 5 FFBDHN Cc1cccc(C(=O)NCC2(N(C)C)Cc3ccccc3C2)c1[N+](=O)[O-] ZINC000610180630 520569936 /nfs/dbraw/zinc/56/99/36/520569936.db2.gz YYPOQKHJLRLODQ-UHFFFAOYSA-N 0 3 353.422 2.732 20 5 FFBDHN Cc1n[nH]c(C(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000610200268 520576234 /nfs/dbraw/zinc/57/62/34/520576234.db2.gz WOBIBWXIASNXCM-IAQYHMDHSA-N 0 3 363.443 2.501 20 5 FFBDHN CCCN1CC[C@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000595591548 520577467 /nfs/dbraw/zinc/57/74/67/520577467.db2.gz VSWDAYJOYQQSLB-ZDUSSCGKSA-N 0 3 374.363 2.897 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000595772413 520713284 /nfs/dbraw/zinc/71/32/84/520713284.db2.gz SNXZNQLEWZDMSO-CRAIPNDOSA-N 0 3 371.441 2.576 20 5 FFBDHN CCCN1CCC(N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)CC1 ZINC000598598537 520734519 /nfs/dbraw/zinc/73/45/19/520734519.db2.gz AWWFEKOOXGNYNQ-UHFFFAOYSA-N 0 3 369.487 2.707 20 5 FFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C[C@@H]1C ZINC000598605312 520736923 /nfs/dbraw/zinc/73/69/23/520736923.db2.gz BDQYJAZNMZSWNV-ZFWWWQNUSA-N 0 3 369.487 2.705 20 5 FFBDHN COC(=O)c1ccnc(N[C@H](C)CN(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000598610425 520742022 /nfs/dbraw/zinc/74/20/22/520742022.db2.gz BNOQGGGIBQFWOX-CYBMUJFWSA-N 0 3 358.398 2.709 20 5 FFBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000610572529 520745126 /nfs/dbraw/zinc/74/51/26/520745126.db2.gz DUWRDFGBEAZDSK-LBPRGKRZSA-N 0 3 368.231 2.571 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@]2(CC2(F)F)C1 ZINC000593118340 520758399 /nfs/dbraw/zinc/75/83/99/520758399.db2.gz QKCQPTVOQWRWEX-OAHLLOKOSA-N 0 3 355.341 2.663 20 5 FFBDHN O=C(c1cccc2c1CNC2)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000595927011 520828643 /nfs/dbraw/zinc/82/86/43/520828643.db2.gz MYLLOPZJWXICFG-UHFFFAOYSA-N 0 3 367.405 2.882 20 5 FFBDHN CN1CCN(CCCCNc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596074937 520895857 /nfs/dbraw/zinc/89/58/57/520895857.db2.gz BRRADJUCFNBNDZ-UHFFFAOYSA-N 0 3 371.279 2.797 20 5 FFBDHN C[C@H](C(=O)Nc1cnn(C2CCN(C)CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000601780544 520948467 /nfs/dbraw/zinc/94/84/67/520948467.db2.gz RTKRLIAJUBGYRB-ZDUSSCGKSA-N 0 3 357.414 2.800 20 5 FFBDHN CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596182186 520957183 /nfs/dbraw/zinc/95/71/83/520957183.db2.gz QASMOEHWIUPOCG-UHFFFAOYSA-N 0 3 357.414 2.833 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596218885 520976910 /nfs/dbraw/zinc/97/69/10/520976910.db2.gz NGNUZEYLAQDVMC-DYVFJYSZSA-N 0 3 354.410 2.626 20 5 FFBDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593414340 520978353 /nfs/dbraw/zinc/97/83/53/520978353.db2.gz LYCSMBPKZDXTCA-KRWDZBQOSA-N 0 3 359.401 2.566 20 5 FFBDHN C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CCN1Cc1ccccc1 ZINC000596236441 520988195 /nfs/dbraw/zinc/98/81/95/520988195.db2.gz VVAVVEVENPRDAN-GUYCJALGSA-N 0 3 354.410 2.769 20 5 FFBDHN Cc1cnc(N2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)c([N+](=O)[O-])c1 ZINC000593495813 521031296 /nfs/dbraw/zinc/03/12/96/521031296.db2.gz JWBDBRXAJQZSQV-MOPGFXCFSA-N 0 3 368.437 2.778 20 5 FFBDHN Cc1cc(N2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)ncc1[N+](=O)[O-] ZINC000593496674 521033398 /nfs/dbraw/zinc/03/33/98/521033398.db2.gz VRLFQICXLHGHHM-MOPGFXCFSA-N 0 3 368.437 2.778 20 5 FFBDHN CCOC(=O)c1ccnc(NC[C@H]2CCN2C2CCCCC2)c1[N+](=O)[O-] ZINC000599126987 521044013 /nfs/dbraw/zinc/04/40/13/521044013.db2.gz KTPDVFMWKLGPIR-CQSZACIVSA-N 0 3 362.430 2.985 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc(CN3CC[C@@H](O)C3)cc2)n1 ZINC000596423585 521062478 /nfs/dbraw/zinc/06/24/78/521062478.db2.gz LSQGLPLXYPLPNT-QGZVFWFLSA-N 0 3 356.426 2.785 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(NCc2ccc(CN3CC[C@@H](O)C3)cc2)c1 ZINC000596422129 521063378 /nfs/dbraw/zinc/06/33/78/521063378.db2.gz AQBBNCHZRUGIEE-MRXNPFEDSA-N 0 3 357.410 2.782 20 5 FFBDHN O=[N+]([O-])c1cncc(Cl)c1NCC1CCN(Cc2ccncc2)CC1 ZINC000596436651 521068460 /nfs/dbraw/zinc/06/84/60/521068460.db2.gz MQVFQQISHZIHRU-UHFFFAOYSA-N 0 3 361.833 2.784 20 5 FFBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000599203665 521084656 /nfs/dbraw/zinc/08/46/56/521084656.db2.gz MWGRARRCXPQFSM-SFHVURJKSA-N 0 3 360.458 2.796 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000611537127 521207135 /nfs/dbraw/zinc/20/71/35/521207135.db2.gz VVCKTFCEHVFLFK-SFHVURJKSA-N 0 3 360.414 2.858 20 5 FFBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000611618591 521249990 /nfs/dbraw/zinc/24/99/90/521249990.db2.gz AVLMYGSTOZZGST-OLZOCXBDSA-N 0 3 369.368 2.895 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000596845420 521328583 /nfs/dbraw/zinc/32/85/83/521328583.db2.gz UDIGFDRYCJFMRN-ZDUSSCGKSA-N 0 3 350.419 2.845 20 5 FFBDHN CCN(Cc1cn(C)nc1[N+](=O)[O-])[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000602448280 521351523 /nfs/dbraw/zinc/35/15/23/521351523.db2.gz ICMYMDCATPMEAJ-YJBOKZPZSA-N 0 3 357.458 2.986 20 5 FFBDHN O=C(Nc1cnc2c(c1)CNCC2)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602488125 521375228 /nfs/dbraw/zinc/37/52/28/521375228.db2.gz ZQVULGVHTZDBDY-UHFFFAOYSA-N 0 3 352.394 2.696 20 5 FFBDHN O=[N+]([O-])c1ccn(CCN[C@H](CCO)c2cc(Cl)cc(Cl)c2)n1 ZINC000599665272 521376628 /nfs/dbraw/zinc/37/66/28/521376628.db2.gz IHDORWCRXYUVEF-CYBMUJFWSA-N 0 3 359.213 2.811 20 5 FFBDHN CN(C)CCOc1ccc(CNCc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000602516590 521389954 /nfs/dbraw/zinc/38/99/54/521389954.db2.gz NZKXRCALEFLQAC-UHFFFAOYSA-N 0 3 370.409 2.966 20 5 FFBDHN NC(=O)[C@@H]1CCC[C@H](NCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602552025 521407944 /nfs/dbraw/zinc/40/79/44/521407944.db2.gz RLYIHNZSERODOG-SFYZADRCSA-N 0 3 362.249 2.553 20 5 FFBDHN COC1(CNCc2cc(Br)c([N+](=O)[O-])s2)CCOCC1 ZINC000602584043 521424004 /nfs/dbraw/zinc/42/40/04/521424004.db2.gz XCZAUZQRKJWHHS-UHFFFAOYSA-N 0 3 365.249 2.704 20 5 FFBDHN Cn1nc(CNC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c2ccccc21 ZINC000602619014 521439959 /nfs/dbraw/zinc/43/99/59/521439959.db2.gz VYKBUDRUZZJXQP-UHFFFAOYSA-N 0 3 366.425 2.635 20 5 FFBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000594200368 521466451 /nfs/dbraw/zinc/46/64/51/521466451.db2.gz LADIVLITZKLPOF-WMZOPIPTSA-N 0 3 369.425 2.527 20 5 FFBDHN CO[C@H]1COCC[C@H]1CNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602674974 521475190 /nfs/dbraw/zinc/47/51/90/521475190.db2.gz IUQFYVCQJKVCIA-KWQFWETISA-N 0 3 365.249 2.560 20 5 FFBDHN CN(C)C1(CNC(=O)c2c(Br)cccc2[N+](=O)[O-])CCC1 ZINC000599798548 521480811 /nfs/dbraw/zinc/48/08/11/521480811.db2.gz FYEIHSMWQQBHSK-UHFFFAOYSA-N 0 3 356.220 2.571 20 5 FFBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597093486 521499403 /nfs/dbraw/zinc/49/94/03/521499403.db2.gz WNMLMKJSNWUYQB-CMPLNLGQSA-N 0 3 367.837 2.921 20 5 FFBDHN Cc1ccc2nc([C@H]3CCCN(Cc4cn(C)nc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000602801611 521540363 /nfs/dbraw/zinc/54/03/63/521540363.db2.gz XKEOXHJSWKIPSM-ZDUSSCGKSA-N 0 3 354.414 2.893 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@H](Cn4ccnn4)C3)o2)cc1 ZINC000597172748 521554632 /nfs/dbraw/zinc/55/46/32/521554632.db2.gz BYZWXFHSAPASLB-AWEZNQCLSA-N 0 3 353.382 2.968 20 5 FFBDHN CN1CCC(n2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3F)n2)CC1 ZINC000485511858 561320827 /nfs/dbraw/zinc/32/08/27/561320827.db2.gz ATCXUXLAAXWTDF-UHFFFAOYSA-N 0 3 362.365 2.841 20 5 FFBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCCCC[NH+]1CCCCC1 ZINC000738357567 598678903 /nfs/dbraw/zinc/67/89/03/598678903.db2.gz FOMBDYNDYFBTKI-UHFFFAOYSA-N 0 3 359.434 2.843 20 5 FFBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCCCC[NH+]1CCCCC1 ZINC000738357567 598678905 /nfs/dbraw/zinc/67/89/05/598678905.db2.gz FOMBDYNDYFBTKI-UHFFFAOYSA-N 0 3 359.434 2.843 20 5 FFBDHN C[C@@H]([NH2+]CCOc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820420567 599694279 /nfs/dbraw/zinc/69/42/79/599694279.db2.gz SZQMWZHLOVZQIK-GFCCVEGCSA-N 0 3 354.370 2.505 20 5 FFBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC1CC[NH+](C2CCCCC2)CC1 ZINC000823630475 606142968 /nfs/dbraw/zinc/14/29/68/606142968.db2.gz XMCBMJCLSZTTCF-UHFFFAOYSA-N 0 3 371.445 2.984 20 5 FFBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC1CC[NH+](C2CCCCC2)CC1 ZINC000823630475 606142970 /nfs/dbraw/zinc/14/29/70/606142970.db2.gz XMCBMJCLSZTTCF-UHFFFAOYSA-N 0 3 371.445 2.984 20 5 FFBDHN C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824656552 609314368 /nfs/dbraw/zinc/31/43/68/609314368.db2.gz LPPUMYCNBDWLQN-CHWSQXEVSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000824656552 609314370 /nfs/dbraw/zinc/31/43/70/609314370.db2.gz LPPUMYCNBDWLQN-CHWSQXEVSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824656552 609314372 /nfs/dbraw/zinc/31/43/72/609314372.db2.gz LPPUMYCNBDWLQN-CHWSQXEVSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000824656552 609314374 /nfs/dbraw/zinc/31/43/74/609314374.db2.gz LPPUMYCNBDWLQN-CHWSQXEVSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824607200 609345346 /nfs/dbraw/zinc/34/53/46/609345346.db2.gz VWMJGKNUWSSIJP-NSHDSACASA-N 0 3 356.361 2.807 20 5 FFBDHN CCCc1ccc(CN[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000856770404 730356387 /nfs/dbraw/zinc/35/63/87/730356387.db2.gz IUTYIKATJIAJLM-IAGOWNOFSA-N 0 3 350.440 2.793 20 5 FFBDHN C[C@H](N[C@H]1[C@@H](C)[C@H](C)O[C@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000859825704 730466781 /nfs/dbraw/zinc/46/67/81/730466781.db2.gz NLKKVOJYGGJHJE-DMZJWBPISA-N 0 3 355.822 2.977 20 5 FFBDHN CCO[C@H](C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-])[C@H]1CCOC1 ZINC000870455155 731516352 /nfs/dbraw/zinc/51/63/52/731516352.db2.gz WGFCZJSXLXMJLG-APYUEPQZSA-N 0 3 355.362 2.517 20 5 FFBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000874825283 732104387 /nfs/dbraw/zinc/10/43/87/732104387.db2.gz ITZLMAKJJMOMKW-KGLIPLIRSA-N 0 3 357.332 2.922 20 5 FFBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000874839385 732106306 /nfs/dbraw/zinc/10/63/06/732106306.db2.gz VUGGBBUYMZQSCG-KGLIPLIRSA-N 0 3 368.231 2.666 20 5 FFBDHN CC(C)[C@H](NCc1cn(C)nc1[N+](=O)[O-])[C@H](O)c1ccc(Cl)cc1 ZINC000878996902 732628869 /nfs/dbraw/zinc/62/88/69/732628869.db2.gz QCLKHAOSOBJGFF-LSDHHAIUSA-N 0 3 352.822 2.830 20 5 FFBDHN O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000733157929 734794526 /nfs/dbraw/zinc/79/45/26/734794526.db2.gz BAFAIKVWABNSOI-CQSZACIVSA-N 0 3 367.833 2.621 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNCC1CN(C(=O)OC(C)(C)C)C1 ZINC000894237290 734823077 /nfs/dbraw/zinc/82/30/77/734823077.db2.gz IZCXWSMWFOPIQW-UHFFFAOYSA-N 0 3 351.403 2.560 20 5 FFBDHN O=[N+]([O-])c1ccc2nc(N3CCCN(C[C@@H]4CCCO4)CC3)sc2c1 ZINC000748272234 735632315 /nfs/dbraw/zinc/63/23/15/735632315.db2.gz MBHVYEDBRXIMAZ-AWEZNQCLSA-N 0 3 362.455 2.896 20 5 FFBDHN Cc1c(Br)cc(C(=O)NCCN2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000753094462 736036900 /nfs/dbraw/zinc/03/69/00/736036900.db2.gz DLOFZYXKEXBNPK-JTQLQIEISA-N 0 3 370.247 2.880 20 5 FFBDHN NC(=O)[C@H](CNCc1ccc([N+](=O)[O-])c(Cl)c1)Cc1ccc(F)cc1 ZINC000761525298 736743299 /nfs/dbraw/zinc/74/32/99/736743299.db2.gz FJZPYSUTXNEBPV-ZDUSSCGKSA-N 0 3 365.792 2.821 20 5 FFBDHN Cc1cc(NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc(N)n1 ZINC000914570963 737584395 /nfs/dbraw/zinc/58/43/95/737584395.db2.gz SCTGWHHHWICNQM-UHFFFAOYSA-N 0 3 356.308 2.818 20 5 FFBDHN CS(=O)(=O)C1CCC(CNCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000922418792 738142209 /nfs/dbraw/zinc/14/22/09/738142209.db2.gz CAQAROYNLWKSJU-UHFFFAOYSA-N 0 3 360.863 2.941 20 5 FFBDHN CCN(CC)C[C@H](C)NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000784721091 738914590 /nfs/dbraw/zinc/91/45/90/738914590.db2.gz GAMXPGVRGWDRRT-NSHDSACASA-N 0 3 363.867 2.565 20 5 FFBDHN Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000789737681 739383898 /nfs/dbraw/zinc/38/38/98/739383898.db2.gz HDYFJVZEVWNWEX-UHFFFAOYSA-N 0 3 367.402 2.905 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(c2nc3c(s2)CCC3)CC1 ZINC000932617642 739479424 /nfs/dbraw/zinc/47/94/24/739479424.db2.gz RLWYZIWTTRFADO-UHFFFAOYSA-N 0 3 361.471 2.925 20 5 FFBDHN CCOC(=O)C1([C@H](C)NCc2ccc([N+](=O)[O-])cc2F)CCOCC1 ZINC000933881025 739700518 /nfs/dbraw/zinc/70/05/18/739700518.db2.gz HEDVJVITDJKHNI-LBPRGKRZSA-N 0 3 354.378 2.572 20 5 FFBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000811502536 741530642 /nfs/dbraw/zinc/53/06/42/741530642.db2.gz XEJRNFMNUDHIIQ-GOSISDBHSA-N 0 3 351.422 2.808 20 5 FFBDHN CC(COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000813112693 741678181 /nfs/dbraw/zinc/67/81/81/741678181.db2.gz TTWRADMWNXBEHZ-RFGFWPKPSA-N 0 3 356.419 2.763 20 5 FFBDHN CC(COC(=O)[C@H](C)Oc1ccc(F)cc1Br)[N+](=O)[O-] ZINC000813111517 741678397 /nfs/dbraw/zinc/67/83/97/741678397.db2.gz UHBZIEBUNOKKSD-SFYZADRCSA-N 0 3 350.140 2.564 20 5 FFBDHN Cn1nccc1[C@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000825046821 743201255 /nfs/dbraw/zinc/20/12/55/743201255.db2.gz YGWALANRRUUZDW-MLGOLLRUSA-N 0 3 350.806 2.992 20 5 FFBDHN CN1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CCC1(C)C ZINC000828299759 745052610 /nfs/dbraw/zinc/05/26/10/745052610.db2.gz KMOIZUIGONMWMY-UHFFFAOYSA-N 0 3 358.801 2.526 20 5 FFBDHN NC(=O)[C@]1(c2ccccc2)CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000839640390 746878756 /nfs/dbraw/zinc/87/87/56/746878756.db2.gz KWAIYXYYHZBVAR-GOSISDBHSA-N 0 3 359.813 2.877 20 5 FFBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCCS(=O)(=O)C1CC1 ZINC000840879532 747210620 /nfs/dbraw/zinc/21/06/20/747210620.db2.gz PXLZIEYIPZKRPO-GFCCVEGCSA-N 0 3 358.485 2.632 20 5 FFBDHN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)Nc1cnc2c(c1)CNCC2 ZINC000841321147 747316431 /nfs/dbraw/zinc/31/64/31/747316431.db2.gz AQMURGYYPLTGRI-UHFFFAOYSA-N 0 3 361.789 2.611 20 5 FFBDHN CCCN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000843990977 747946289 /nfs/dbraw/zinc/94/62/89/747946289.db2.gz ZQFCNMZEDJQDRS-LBPRGKRZSA-N 0 3 357.813 2.873 20 5 FFBDHN CC(=O)Nc1nc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cs1 ZINC000845874199 748341424 /nfs/dbraw/zinc/34/14/24/748341424.db2.gz YFQXJPGJWBPJIC-AMIZOPFISA-N 0 3 367.358 2.804 20 5 FFBDHN CC([C@H](OC(=O)[C@@H](C)N(C)CC(F)(F)F)c1ccccc1F)[N+](=O)[O-] ZINC000845883336 748344227 /nfs/dbraw/zinc/34/42/27/748344227.db2.gz SECWNOAZVKMGRQ-CWSCBRNRSA-N 0 3 366.311 2.958 20 5 FFBDHN CN(CCN1CCCCC1)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000846613546 748512805 /nfs/dbraw/zinc/51/28/05/748512805.db2.gz HDVUUMXCRSHZBD-UHFFFAOYSA-N 0 3 357.813 2.874 20 5 FFBDHN C[C@H](NCC1(S(C)(=O)=O)CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850531699 749382814 /nfs/dbraw/zinc/38/28/14/749382814.db2.gz MPMHUTZJQYVXLX-LBPRGKRZSA-N 0 3 355.460 2.575 20 5 FFBDHN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cc2c(s1)CCNC2 ZINC000852814727 749959686 /nfs/dbraw/zinc/95/96/86/749959686.db2.gz OFMYBBABTMSICO-UHFFFAOYSA-N 0 3 351.815 2.885 20 5 FFBDHN COc1ccc([C@H](NC(C)C)C(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000895798644 970965639 /nfs/dbraw/zinc/96/56/39/970965639.db2.gz IUFGBJKPBBKVRG-SFHVURJKSA-N 0 3 357.410 2.959 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000134885631 960093450 /nfs/dbraw/zinc/09/34/50/960093450.db2.gz WMJVYVJVXGRZTG-WBVHZDCISA-N 0 3 369.421 2.753 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)n1 ZINC001267590851 969689323 /nfs/dbraw/zinc/68/93/23/969689323.db2.gz LGSSUGDVDBNSHU-ACJLOTCBSA-N 0 3 354.410 2.549 20 5 FFBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000874850092 1013918302 /nfs/dbraw/zinc/91/83/02/1013918302.db2.gz NVRIIWQFORTVQY-RDJZCZTQSA-N 0 3 358.442 2.504 20 5 FFBDHN Cn1cc([N+](=O)[O-])c(C(=O)OC[C@@]2(C)CCCN2Cc2ccccc2)n1 ZINC000780396828 981290549 /nfs/dbraw/zinc/29/05/49/981290549.db2.gz DPBPYQAFNXKJGO-GOSISDBHSA-N 0 3 358.398 2.540 20 5 FFBDHN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC(N2CCC2)CC1 ZINC000912875165 984136533 /nfs/dbraw/zinc/13/65/33/984136533.db2.gz UBTDPNPSUSHKCL-UHFFFAOYSA-N 0 3 361.445 2.992 20 5 FFBDHN COc1ccc([C@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CCN2)cc1 ZINC000879520753 1015571536 /nfs/dbraw/zinc/57/15/36/1015571536.db2.gz DLWZWCNIRLWONY-GOSISDBHSA-N 0 3 367.409 2.626 20 5 FFBDHN CC(C)[C@H](NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1nncn1C ZINC000809691515 994569408 /nfs/dbraw/zinc/56/94/08/994569408.db2.gz IZHXJCIOOAFDSZ-KRWDZBQOSA-N 0 3 358.446 2.679 20 5 FFBDHN CC(COC(=O)[C@@H]1CCCC[C@H]1C(=O)N1c2ccccc2C[C@H]1C)[N+](=O)[O-] ZINC000813110499 995625278 /nfs/dbraw/zinc/62/52/78/995625278.db2.gz BZTHALNIOUJWTA-MUIFIZLQSA-N 0 3 374.437 2.979 20 5 FFBDHN CC(COC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813114129 995625766 /nfs/dbraw/zinc/62/57/66/995625766.db2.gz ZDBPRRFBNOMUNL-NEPJUHHUSA-N 0 3 374.353 2.985 20 5 FFBDHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823990010 996772985 /nfs/dbraw/zinc/77/29/85/996772985.db2.gz GAUQQLSNMNVWAT-RBUKOAKNSA-N 0 3 369.421 2.582 20 5 FFBDHN CC(C)(C)N1CC[C@H]1COC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000845735438 998641445 /nfs/dbraw/zinc/64/14/45/998641445.db2.gz XKSWZXMXBVWZNW-ZDUSSCGKSA-N 0 3 358.398 2.810 20 5 FFBDHN CC([C@@H](OC(=O)[C@@H](C)NC(=O)OC(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845875115 998676867 /nfs/dbraw/zinc/67/68/67/998676867.db2.gz LOIILMJYMYKPFJ-UHIISALHSA-N 0 3 370.377 2.988 20 5 FFBDHN Cc1nn(C)c(C)c1OCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845875393 998677014 /nfs/dbraw/zinc/67/70/14/998677014.db2.gz KMQIIMSUTDTBSG-YVEFUNNKSA-N 0 3 365.361 2.505 20 5 FFBDHN CC([C@H](OC(=O)CCCn1ccccc1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845874740 998677261 /nfs/dbraw/zinc/67/72/61/998677261.db2.gz ILWKPIVHGMJPCE-UGSOOPFHSA-N 0 3 362.357 2.717 20 5 FFBDHN O=C(CN[C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(Br)c(F)c1 ZINC001168975778 1000013723 /nfs/dbraw/zinc/01/37/23/1000013723.db2.gz XDNLIUGBSCJEQP-GXSJLCMTSA-N 0 3 359.195 2.806 20 5 FFBDHN COc1cc(N2CCN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)ccc1Cl ZINC001169046806 1000018551 /nfs/dbraw/zinc/01/85/51/1000018551.db2.gz NDISEZJYFOGLAD-KGLIPLIRSA-N 0 3 353.850 2.916 20 5 FFBDHN COC(=O)c1c(C)c([N+](=O)[O-])ccc1N1CCCc2ccc(CN)nc21 ZINC001169591379 1000060133 /nfs/dbraw/zinc/06/01/33/1000060133.db2.gz IDUZHMJEHWCCBR-UHFFFAOYSA-N 0 3 356.382 2.628 20 5 FFBDHN C/C(=C/C(=O)N1CCN(C2CCOCC2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000785814308 1001488155 /nfs/dbraw/zinc/48/81/55/1001488155.db2.gz ACWOCUIEIIFOKC-KGAUPUERSA-N 0 3 373.453 2.710 20 5 FFBDHN C[C@@H](NC[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788506599 1001814596 /nfs/dbraw/zinc/81/45/96/1001814596.db2.gz WSWKFJXZKPQYKG-CRAIPNDOSA-N 0 3 370.453 2.729 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(CO)(c3ccccc3)CC2)cc1 ZINC000814646455 1006390667 /nfs/dbraw/zinc/39/06/67/1006390667.db2.gz FCMFHGFDKKWJLY-IBGZPJMESA-N 0 3 356.422 2.654 20 5 FFBDHN C[C@H](NCCNC(=O)CCCc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000818353190 1007910199 /nfs/dbraw/zinc/91/01/99/1007910199.db2.gz SVWFHAMOPHEKTD-HNNXBMFYSA-N 0 3 370.453 2.967 20 5 FFBDHN Cc1ncc2c(n1)CCC[C@@H]2NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000819078282 1008038862 /nfs/dbraw/zinc/03/88/62/1008038862.db2.gz IFNGJPRVLFJDTQ-AWEZNQCLSA-N 0 3 355.398 2.689 20 5 FFBDHN COCCOc1cc(C)ccc1CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819147306 1008043973 /nfs/dbraw/zinc/04/39/73/1008043973.db2.gz OJUVSGHMURLAQC-SFHVURJKSA-N 0 3 360.410 2.752 20 5 FFBDHN O=C1[C@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCN1C1CCCCC1 ZINC000819253525 1008071014 /nfs/dbraw/zinc/07/10/14/1008071014.db2.gz GNJAKCKZQWNLFQ-QZTJIDSGSA-N 0 3 361.442 2.542 20 5 FFBDHN Cc1cc(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c(N)c([N+](=O)[O-])c1 ZINC000137512873 1008616701 /nfs/dbraw/zinc/61/67/01/1008616701.db2.gz LBFADFHJRCWQJZ-HOCLYGCPSA-N 0 3 368.437 2.878 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@@H]3COC4(CCOCC4)O3)o2)c1 ZINC001178317253 1008953667 /nfs/dbraw/zinc/95/36/67/1008953667.db2.gz GFFXXBYHNZPBFO-QGZVFWFLSA-N 0 3 374.393 2.867 20 5 FFBDHN Cc1nccn1CCCN(C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000130591907 1009350168 /nfs/dbraw/zinc/35/01/68/1009350168.db2.gz BXJLJLULNAVHDW-CQSZACIVSA-N 0 3 359.430 2.757 20 5 FFBDHN C[C@@H](NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000119961250 1010444034 /nfs/dbraw/zinc/44/40/34/1010444034.db2.gz VPOPSCNKACTCQA-MRXNPFEDSA-N 0 3 368.437 2.594 20 5 FFBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000865499487 1010800166 /nfs/dbraw/zinc/80/01/66/1010800166.db2.gz OUDLFIVNEDEKAC-HNNXBMFYSA-N 0 3 370.400 2.887 20 5 FFBDHN CN(Cc1ccno1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173018828 1012190118 /nfs/dbraw/zinc/19/01/18/1012190118.db2.gz FYNNOMMTDONEGM-UHFFFAOYSA-N 0 3 352.341 2.962 20 5 FFBDHN CCCCC[C@H](N[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C(=O)NC ZINC001173176993 1012318760 /nfs/dbraw/zinc/31/87/60/1012318760.db2.gz AQTRBXINPQMMFQ-OCCSQVGLSA-N 0 3 369.437 2.958 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCc2ccnn2CCF)c1F ZINC001173181979 1012326764 /nfs/dbraw/zinc/32/67/64/1012326764.db2.gz XTMJGGMDDOGCPM-NSHDSACASA-N 0 3 354.357 2.629 20 5 FFBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801945343 1019529236 /nfs/dbraw/zinc/52/92/36/1019529236.db2.gz DRTQRYXJBARTJC-GFCCVEGCSA-N 0 3 360.389 2.566 20 5 FFBDHN CC(C)CN(Cc1ccccn1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000932450347 1020806469 /nfs/dbraw/zinc/80/64/69/1020806469.db2.gz ZOSDGTAYNHSLOA-KRWDZBQOSA-N 0 3 359.426 2.888 20 5 FFBDHN Cc1cccc(NC[C@H]2CCCN2C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC001116351686 1021175918 /nfs/dbraw/zinc/17/59/18/1021175918.db2.gz ISHFVUOFCWVLBW-MSOLQXFVSA-N 0 3 356.426 2.908 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934836884 1021421632 /nfs/dbraw/zinc/42/16/32/1021421632.db2.gz DVHAJHVNDJPWSD-JKSUJKDBSA-N 0 3 361.442 2.980 20 5 FFBDHN O=C(CN1CCCC[C@@H]([C@@H]2CCOC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000934841627 1021425870 /nfs/dbraw/zinc/42/58/70/1021425870.db2.gz NBCALIFUCPDXJQ-IAGOWNOFSA-N 0 3 373.453 2.623 20 5 FFBDHN CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000016599280 1022281792 /nfs/dbraw/zinc/28/17/92/1022281792.db2.gz CADTVIMAYZHGPP-INIZCTEOSA-N 0 3 358.354 2.536 20 5 FFBDHN C/C(=C/C(=O)N(CCN(C)C)Cc1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000752074992 1023049885 /nfs/dbraw/zinc/04/98/85/1023049885.db2.gz QPCOQFQRWDUKKL-PEZBUJJGSA-N 0 3 368.437 2.984 20 5 FFBDHN COC(=O)[C@H](C)[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000246240568 1025905378 /nfs/dbraw/zinc/90/53/78/1025905378.db2.gz HPZCWORBYPDFAC-FSPWUOQZSA-N 0 3 358.394 2.768 20 5 FFBDHN CC(C)c1[n-]nc(C(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000837700105 1025970952 /nfs/dbraw/zinc/97/09/52/1025970952.db2.gz RTUCJJKDNLRVHW-AWEZNQCLSA-N 0 3 358.398 2.873 20 5 FFBDHN CC(C)c1[n-]nc(C(=O)O[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000837700105 1025970963 /nfs/dbraw/zinc/97/09/63/1025970963.db2.gz RTUCJJKDNLRVHW-AWEZNQCLSA-N 0 3 358.398 2.873 20 5 FFBDHN CN(CCCN(C)C(=O)OC(C)(C)C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839655189 1026777805 /nfs/dbraw/zinc/77/78/05/1026777805.db2.gz TVOPXJOUEBRWOF-MRXNPFEDSA-N 0 3 367.446 2.817 20 5 FFBDHN C[C@H]1CCN(Cc2ccccc2)C[C@H]1N(C)c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001165180688 1029435819 /nfs/dbraw/zinc/43/58/19/1029435819.db2.gz DJOKKRVZWNATSW-MAUKXSAKSA-N 0 3 356.426 2.575 20 5 FFBDHN NCc1cnnn1-c1cc(Oc2ccnc(Cl)c2)c(F)cc1[N+](=O)[O-] ZINC001158423217 1029825646 /nfs/dbraw/zinc/82/56/46/1029825646.db2.gz OKQNPCNOMWECDA-UHFFFAOYSA-N 0 3 364.724 2.614 20 5 FFBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1ccc([N+](=O)[O-])n1C ZINC000797081620 1030991676 /nfs/dbraw/zinc/99/16/76/1030991676.db2.gz VVTIKWDJNGQLHQ-GDBMZVCRSA-N 0 3 354.410 2.690 20 5 FFBDHN Nc1cc2nc3ccccc3nc2cc1NC(=O)C1(N)Cc2ccccc2C1 ZINC001218857749 1033378419 /nfs/dbraw/zinc/37/84/19/1033378419.db2.gz QWALORKVYXJRTH-UHFFFAOYSA-N 0 3 369.428 2.800 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000830456878 1033621591 /nfs/dbraw/zinc/62/15/91/1033621591.db2.gz MWQPOFULZMFYPN-DZGCQCFKSA-N 0 3 367.446 2.782 20 5 FFBDHN CN(C)c1cc(F)c(C(=O)NC[C@@H]2N(C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000830838113 1033813866 /nfs/dbraw/zinc/81/38/66/1033813866.db2.gz JOWWGQDRRCRQQD-INIZCTEOSA-N 0 3 366.437 2.650 20 5 FFBDHN COc1c(O)cc(O[C@@H](C)CN(C)C)c2c(=O)c3ccccc3n(C)c12 ZINC001234170439 1036954862 /nfs/dbraw/zinc/95/48/62/1036954862.db2.gz HYGPPGHCDOMSQS-LBPRGKRZSA-N 0 3 356.422 2.735 20 5 FFBDHN CN(C)c1ccccc1-c1noc(C[C@@H](N)c2ccccc2[N+](=O)[O-])n1 ZINC001249341947 1040692547 /nfs/dbraw/zinc/69/25/47/1040692547.db2.gz FTBSPGBYKSDBGU-CQSZACIVSA-N 0 3 353.382 2.953 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCC(N3CC[C@@](O)(C(F)(F)F)C3)CC2)cc1 ZINC001254475069 1040743738 /nfs/dbraw/zinc/74/37/38/1040743738.db2.gz ZOUBKVXTMCDPKG-HNNXBMFYSA-N 0 3 359.348 2.563 20 5 FFBDHN O=C1Nc2cc(Cl)ccc2C[C@H]1N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581573 1040814949 /nfs/dbraw/zinc/81/49/49/1040814949.db2.gz OLLMVZPBJJOFHI-WMLDXEAASA-N 0 3 357.797 2.868 20 5 FFBDHN O=[N+]([O-])c1ccccc1-n1ccc(-c2nc([C@H]3CN4CCC3CC4)no2)n1 ZINC001254849925 1041005863 /nfs/dbraw/zinc/00/58/63/1041005863.db2.gz GJIZRDHKHYDZMS-ZDUSSCGKSA-N 0 3 366.381 2.640 20 5 FFBDHN CC1(C)[C@H](NCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]2CCCO[C@H]21 ZINC001324732945 1046194702 /nfs/dbraw/zinc/19/47/02/1046194702.db2.gz DMYPBBJJVVEXEX-IUIKQTSFSA-N 0 3 367.833 2.980 20 5 FFBDHN Cn1cc([C@H](NC2CC(n3cc([N+](=O)[O-])cn3)C2)c2ccccc2)cn1 ZINC001330617264 1049232134 /nfs/dbraw/zinc/23/21/34/1049232134.db2.gz AZZCAFWSCAXOQZ-LEOMRAHMSA-N 0 3 352.398 2.608 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC001307995711 1052380371 /nfs/dbraw/zinc/38/03/71/1052380371.db2.gz DJZYBMKAOXDUHR-UHFFFAOYSA-N 0 3 374.445 2.705 20 5 FFBDHN COc1cccc(F)c1CNC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001352098550 1055190482 /nfs/dbraw/zinc/19/04/82/1055190482.db2.gz VCLKSKLFLFYKKH-UHFFFAOYSA-N 0 3 360.389 2.896 20 5 FFBDHN Cc1c(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000847253264 1055320607 /nfs/dbraw/zinc/32/06/07/1055320607.db2.gz ABGUWEGCRWYPIG-GJZGRUSLSA-N 0 3 362.386 2.558 20 5 FFBDHN C[C@@H]1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1(C)C ZINC001473365746 1056253507 /nfs/dbraw/zinc/25/35/07/1056253507.db2.gz UCFDWPHQFDSRMP-MRXNPFEDSA-N 0 3 374.485 2.611 20 5 FFBDHN CCN1C[C@@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C(C)(C)C1 ZINC001472058973 1058337119 /nfs/dbraw/zinc/33/71/19/1058337119.db2.gz RHQWUAHBVGMCKY-GFCCVEGCSA-N 0 3 370.247 2.817 20 5 FFBDHN C[C@@H](c1nnc(N2C[C@@H](C)N(Cc3ccccc3)[C@@H](C)[C@H]2C)n1C)[N+](=O)[O-] ZINC001519598451 1058866268 /nfs/dbraw/zinc/86/62/68/1058866268.db2.gz VZGUHLDTHGVPGK-QXSJWSMHSA-N 0 3 372.473 2.641 20 5 FFBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001453390865 1059363530 /nfs/dbraw/zinc/36/35/30/1059363530.db2.gz PFVYLSJLFDTJGY-JTQLQIEISA-N 0 3 372.828 2.820 20 5 FFBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCCC[C@@H]2N2CCOCC2)c(Cl)c1 ZINC001459961342 1060858308 /nfs/dbraw/zinc/85/83/08/1060858308.db2.gz IMVJVDWVZOFOQT-SJORKVTESA-N 0 3 353.850 2.981 20 5 FFBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@H](O)COc1ccc2cc[nH]c2c1 ZINC001473415886 1065259040 /nfs/dbraw/zinc/25/90/40/1065259040.db2.gz FWDCBPNGHIIWTE-SFHVURJKSA-N 0 3 369.421 2.990 20 5 FFBDHN CCN(CC)C[C@H](C)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1C ZINC001561474436 1076381412 /nfs/dbraw/zinc/38/14/12/1076381412.db2.gz FDTPHNJUEMLOCN-NSHDSACASA-N 0 3 363.867 2.565 20 5 FFBDHN Cc1ccc(CNC(=O)NCCN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC001563751273 1076580437 /nfs/dbraw/zinc/58/04/37/1076580437.db2.gz MAAZDBBAGUUTBD-UHFFFAOYSA-N 0 3 356.426 2.834 20 5 FFBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](N2CCCC2)C1 ZINC000110629705 206334281 /nfs/dbraw/zinc/33/42/81/206334281.db2.gz BNDYFRKGTIRYMI-OCCSQVGLSA-N 0 3 366.849 2.745 20 5 FFBDHN COc1cc(CNC[C@H](c2ccco2)N2CCCC2)c([N+](=O)[O-])cc1O ZINC000101588794 250081377 /nfs/dbraw/zinc/08/13/77/250081377.db2.gz RWZSSMSAKFMPNX-OAHLLOKOSA-N 0 3 361.398 2.829 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)NCCN2CCC[C@@H](C)C2)cc1SC ZINC000103070036 250132658 /nfs/dbraw/zinc/13/26/58/250132658.db2.gz ZUDREOYLPSYJSC-GFCCVEGCSA-N 0 3 367.471 2.787 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](N3CCCC3)C2)cc1SC ZINC000103084561 250134334 /nfs/dbraw/zinc/13/43/34/250134334.db2.gz RZRNYILAKDVBTP-LBPRGKRZSA-N 0 3 365.455 2.636 20 5 FFBDHN CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272705517 252108647 /nfs/dbraw/zinc/10/86/47/252108647.db2.gz ZPBLLUAEARAIOA-DZGCQCFKSA-N 0 3 360.863 2.736 20 5 FFBDHN Cc1cc(NC[C@H]2COC3(CCOCC3)O2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272808611 252137188 /nfs/dbraw/zinc/13/71/88/252137188.db2.gz GLOYPPYSEBTBOX-AWEZNQCLSA-N 0 3 359.382 2.785 20 5 FFBDHN CS[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1N1CCCC1 ZINC000275810988 256050269 /nfs/dbraw/zinc/05/02/69/256050269.db2.gz QAGVQHZPMOLNBB-GJZGRUSLSA-N 0 3 350.444 2.638 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000278726085 256341673 /nfs/dbraw/zinc/34/16/73/256341673.db2.gz LKYSBAUHXIGMGR-AWEZNQCLSA-N 0 3 362.430 2.620 20 5 FFBDHN CC1(C)C[C@@H](NCc2cccc(OCC(N)=O)c2)c2cc([N+](=O)[O-])ccc21 ZINC000279003475 256370942 /nfs/dbraw/zinc/37/09/42/256370942.db2.gz GDMDSBUZDNCOHM-GOSISDBHSA-N 0 3 369.421 2.971 20 5 FFBDHN CS[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@@H]1N(C)C ZINC000289524488 257285718 /nfs/dbraw/zinc/28/57/18/257285718.db2.gz CNSHQFBXFIOYEU-RYUDHWBXSA-N 0 3 358.851 2.758 20 5 FFBDHN COc1ccc([C@H](CNc2ncc([N+](=O)[O-])c(N)n2)N2CCCCC2)cc1 ZINC000301095656 258024880 /nfs/dbraw/zinc/02/48/80/258024880.db2.gz NEHNZTRQMORHFK-HNNXBMFYSA-N 0 3 372.429 2.615 20 5 FFBDHN COCCN1CCC(Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000301329899 258042528 /nfs/dbraw/zinc/04/25/28/258042528.db2.gz AYXMDOMASJQVOT-UHFFFAOYSA-N 0 3 358.236 2.880 20 5 FFBDHN C[C@H](CCN1CCN(C)CC1)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000302305628 258098395 /nfs/dbraw/zinc/09/83/95/258098395.db2.gz ZKSABRDKGYKQPQ-GFCCVEGCSA-N 0 3 371.279 2.795 20 5 FFBDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000302414518 258101017 /nfs/dbraw/zinc/10/10/17/258101017.db2.gz HMDQPHGQXKZRBI-IBGZPJMESA-N 0 3 359.401 2.807 20 5 FFBDHN CCc1cc(N2CCN3CCC2CC3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302789994 258110864 /nfs/dbraw/zinc/11/08/64/258110864.db2.gz XZCPFXADGDTGES-UHFFFAOYSA-N 0 3 353.426 2.899 20 5 FFBDHN Cc1ccc([C@@H](CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)N(C)C)cc1 ZINC000301701755 258063530 /nfs/dbraw/zinc/06/35/30/258063530.db2.gz TUPMDKVYKCLRAM-QGZVFWFLSA-N 0 3 370.409 2.949 20 5 FFBDHN CNC(=O)c1ccc(N[C@@H]2CCN(C)[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000301835355 258070067 /nfs/dbraw/zinc/07/00/67/258070067.db2.gz LCRKVZYVRVKOEX-SJLPKXTDSA-N 0 3 354.410 2.812 20 5 FFBDHN CN(CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])C1CCCCC1 ZINC000301895479 258073292 /nfs/dbraw/zinc/07/32/92/258073292.db2.gz PXUDJZJJTFNRDG-UHFFFAOYSA-N 0 3 355.460 2.675 20 5 FFBDHN O=[N+]([O-])c1cnc2ccc(NC[C@@H](c3cccs3)N3CCCC3)nn21 ZINC000301912293 258074575 /nfs/dbraw/zinc/07/45/75/258074575.db2.gz GXPWNCOSSYABSR-LBPRGKRZSA-N 0 3 358.427 2.948 20 5 FFBDHN Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CCN(C3CCCC3)C2)c1[N+](=O)[O-] ZINC000331953708 258207478 /nfs/dbraw/zinc/20/74/78/258207478.db2.gz PFBGRGVZFMOKDM-CQSZACIVSA-N 0 3 367.471 2.507 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](SC)[C@@H](N2CCCC2)C1 ZINC000332106510 258214351 /nfs/dbraw/zinc/21/43/51/258214351.db2.gz ZPIIKNJTODOBAS-DOTOQJQBSA-N 0 3 351.472 2.615 20 5 FFBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000332164848 258216961 /nfs/dbraw/zinc/21/69/61/258216961.db2.gz KNUAWITVWHKRTD-DGCLKSJQSA-N 0 3 369.368 2.895 20 5 FFBDHN C[C@H]1CC[C@H](C)N1CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000332317605 258224973 /nfs/dbraw/zinc/22/49/73/258224973.db2.gz VFVXEAXMWFJIQL-GJZGRUSLSA-N 0 3 361.442 2.837 20 5 FFBDHN C[C@@H]1CN2CCCC[C@@H]2CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000332465404 258231372 /nfs/dbraw/zinc/23/13/72/258231372.db2.gz ISJOMPUJCRECGY-TZMCWYRMSA-N 0 3 366.849 2.745 20 5 FFBDHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000332659283 258239483 /nfs/dbraw/zinc/23/94/83/258239483.db2.gz WOYUNVWDZNIXGX-ZYHUDNBSSA-N 0 3 355.341 2.505 20 5 FFBDHN O=[N+]([O-])c1ccc(CNCCCn2cc(Br)cn2)c(F)c1 ZINC000385639819 512886500 /nfs/dbraw/zinc/88/65/00/512886500.db2.gz VCHZMTWVDRBYOL-UHFFFAOYSA-N 0 3 357.183 2.873 20 5 FFBDHN CNc1ccc(C(=O)NCCCN2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000032399673 506248078 /nfs/dbraw/zinc/24/80/78/506248078.db2.gz ZMIQESYAVXFVNE-UHFFFAOYSA-N 0 3 368.437 2.815 20 5 FFBDHN O=C1C[C@@H](c2ccccc2)N(CCCOc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000052836993 506259416 /nfs/dbraw/zinc/25/94/16/506259416.db2.gz NBUVUKUYEZADMQ-IBGZPJMESA-N 0 3 369.421 2.927 20 5 FFBDHN CCOc1ccc(C(=O)NCCN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000053348818 506359378 /nfs/dbraw/zinc/35/93/78/506359378.db2.gz YRZDUHQBUWEHFB-UHFFFAOYSA-N 0 3 357.410 2.855 20 5 FFBDHN CN(CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)Cc1ccccc1 ZINC000053349900 506361571 /nfs/dbraw/zinc/36/15/71/506361571.db2.gz UFIZBMKGQCDGMN-UHFFFAOYSA-N 0 3 352.394 2.938 20 5 FFBDHN COc1cc(C(=O)N2C[C@@H](N(C)C)Cc3ccccc32)c([N+](=O)[O-])cc1F ZINC000410464963 512269330 /nfs/dbraw/zinc/26/93/30/512269330.db2.gz ITGQZBHJZHTZOL-ZDUSSCGKSA-N 0 3 373.384 2.876 20 5 FFBDHN Cc1ccc([C@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000065901178 506388752 /nfs/dbraw/zinc/38/87/52/506388752.db2.gz SSBMREMSNICPMK-SFHVURJKSA-N 0 3 356.426 2.734 20 5 FFBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000065940342 506398940 /nfs/dbraw/zinc/39/89/40/506398940.db2.gz VZUXZPKWKBVZRA-UHFFFAOYSA-N 0 3 359.401 2.867 20 5 FFBDHN COc1ccc(CN2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000066377617 506500753 /nfs/dbraw/zinc/50/07/53/506500753.db2.gz LNBTWUQUIWXTQT-UXLLHSPISA-N 0 3 363.458 2.677 20 5 FFBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000054223610 506515393 /nfs/dbraw/zinc/51/53/93/506515393.db2.gz KFQDIVDRBRRBRL-WBVHZDCISA-N 0 3 369.421 2.925 20 5 FFBDHN COc1cc(C(=O)N(CCN(C)C)C2CCCC2)c([N+](=O)[O-])cc1F ZINC000410559867 512292824 /nfs/dbraw/zinc/29/28/24/512292824.db2.gz SXSHLQHPGIWTKR-UHFFFAOYSA-N 0 3 353.394 2.689 20 5 FFBDHN O=C(CNc1ccccc1[N+](=O)[O-])N1CCCN(Cc2ccccc2)CC1 ZINC000067288102 506819683 /nfs/dbraw/zinc/81/96/83/506819683.db2.gz QWTVGFFYZAEDOT-UHFFFAOYSA-N 0 3 368.437 2.741 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000056527679 507038534 /nfs/dbraw/zinc/03/85/34/507038534.db2.gz QSSITQWJDUTRPW-OAHLLOKOSA-N 0 3 372.425 2.898 20 5 FFBDHN COc1ccc(CC(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)cc1[N+](=O)[O-] ZINC000067914230 507049782 /nfs/dbraw/zinc/04/97/82/507049782.db2.gz BDTQOUADHMQXGF-SFHVURJKSA-N 0 3 371.437 2.873 20 5 FFBDHN C[C@H](CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)N(C)C ZINC000068064321 507097644 /nfs/dbraw/zinc/09/76/44/507097644.db2.gz MXQLFATVYPIDJO-KGLIPLIRSA-N 0 3 371.441 2.843 20 5 FFBDHN CCN1CCC[C@H]1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000068265791 507166967 /nfs/dbraw/zinc/16/69/67/507166967.db2.gz FKDGRCLEWAVVKL-YPMHNXCESA-N 0 3 355.822 2.616 20 5 FFBDHN CN(C)CCN(Cc1ccccc1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000068311173 507181890 /nfs/dbraw/zinc/18/18/90/507181890.db2.gz CEADMKCDSPQUGY-UHFFFAOYSA-N 0 3 357.410 2.564 20 5 FFBDHN CCCc1n[nH]c(C(=O)NC[C@@H](c2ccc(CC)cc2)N(C)C)c1[N+](=O)[O-] ZINC000068311310 507182335 /nfs/dbraw/zinc/18/23/35/507182335.db2.gz UWWZAWZMEPIHAD-INIZCTEOSA-N 0 3 373.457 2.866 20 5 FFBDHN CCN1CCN(Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CC1 ZINC000046939382 507228146 /nfs/dbraw/zinc/22/81/46/507228146.db2.gz QDNOHBDXBLHKSA-UHFFFAOYSA-N 0 3 358.398 2.578 20 5 FFBDHN O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000023737888 507370165 /nfs/dbraw/zinc/37/01/65/507370165.db2.gz YDYCXGADGBTSCG-LJQANCHMSA-N 0 3 369.421 2.927 20 5 FFBDHN COc1ccc([C@@H](C)NC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1F ZINC000024102450 507393189 /nfs/dbraw/zinc/39/31/89/507393189.db2.gz ZCPMAWFGMNPGIO-DOMZBBRYSA-N 0 3 364.373 2.833 20 5 FFBDHN CC(C)CN1CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000049970356 507645971 /nfs/dbraw/zinc/64/59/71/507645971.db2.gz MQAPSSSVWOXKLQ-CQSZACIVSA-N 0 3 359.430 2.979 20 5 FFBDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000072035678 507738138 /nfs/dbraw/zinc/73/81/38/507738138.db2.gz QUHFQQCYLFWMGZ-UHFFFAOYSA-N 0 3 358.398 2.896 20 5 FFBDHN CCC(CC)[C@@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])N(C)C ZINC000029873772 507794368 /nfs/dbraw/zinc/79/43/68/507794368.db2.gz BGRWNXAMFSLIBH-MRXNPFEDSA-N 0 3 357.476 2.777 20 5 FFBDHN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cncn2)cc1 ZINC000089580734 507847328 /nfs/dbraw/zinc/84/73/28/507847328.db2.gz SLNSLXVHVSTZDR-CQSZACIVSA-N 0 3 353.382 2.905 20 5 FFBDHN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000089580751 507847448 /nfs/dbraw/zinc/84/74/48/507847448.db2.gz YKYNNEIZMPVTLP-ZDUSSCGKSA-N 0 3 364.423 2.728 20 5 FFBDHN O=[N+]([O-])c1ccc(NC2CCN([C@@H]3CCOC3)CC2)cc1OC(F)F ZINC000089603549 507850561 /nfs/dbraw/zinc/85/05/61/507850561.db2.gz IEKPLSYIRMEHQQ-CYBMUJFWSA-N 0 3 357.357 2.861 20 5 FFBDHN O=c1[nH]cnc2cc(N[C@@H]3CCN(Cc4ccccc4)C3)c([N+](=O)[O-])cc21 ZINC000072991022 507881671 /nfs/dbraw/zinc/88/16/71/507881671.db2.gz KPIWAXMWUJLJCR-CQSZACIVSA-N 0 3 365.393 2.518 20 5 FFBDHN CN(C)CCOc1ccc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000079629471 507984740 /nfs/dbraw/zinc/98/47/40/507984740.db2.gz QBHFVJSAELWOIU-UHFFFAOYSA-N 0 3 372.425 2.610 20 5 FFBDHN COc1cc(C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000081124421 508140384 /nfs/dbraw/zinc/14/03/84/508140384.db2.gz PTBCXXATMIGGGL-QGZVFWFLSA-N 0 3 369.421 2.950 20 5 FFBDHN COCCOc1ccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000093534753 508148195 /nfs/dbraw/zinc/14/81/95/508148195.db2.gz FZNIMZPMBDYRPZ-INIZCTEOSA-N 0 3 372.425 2.701 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@@H](c3nnc4ccccn43)C2)cc1 ZINC000076396445 508200203 /nfs/dbraw/zinc/20/02/03/508200203.db2.gz RPEXUYOQGQIRRT-OAHLLOKOSA-N 0 3 367.409 2.896 20 5 FFBDHN COc1ccccc1C(C)(C)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000103484104 508314898 /nfs/dbraw/zinc/31/48/98/508314898.db2.gz VLVHQBSNAFSPMK-HNNXBMFYSA-N 0 3 360.410 2.868 20 5 FFBDHN C[C@@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)N1CCC[C@@H](C)C1 ZINC000087103057 508336686 /nfs/dbraw/zinc/33/66/86/508336686.db2.gz UTXNTDQZZXHQOK-CABCVRRESA-N 0 3 360.458 2.783 20 5 FFBDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087159787 508340144 /nfs/dbraw/zinc/34/01/44/508340144.db2.gz DLFWNDBEQPSAFN-GOSISDBHSA-N 0 3 355.438 2.817 20 5 FFBDHN CCOC(=O)c1ccnc(NC[C@H](Cc2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000077903637 508390265 /nfs/dbraw/zinc/39/02/65/508390265.db2.gz OLCVDHLVWBKVBJ-HNNXBMFYSA-N 0 3 372.425 2.751 20 5 FFBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCN1CCCC1 ZINC000134081226 508490453 /nfs/dbraw/zinc/49/04/53/508490453.db2.gz BQLXGYCSHKMDOZ-UHFFFAOYSA-N 0 3 367.471 2.501 20 5 FFBDHN Cc1ccc(S(=O)(=O)[N-][C@H](CC[NH+](C)C)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000116372453 508504331 /nfs/dbraw/zinc/50/43/31/508504331.db2.gz RZRJXIORRQZOJI-OAHLLOKOSA-N 0 3 357.476 2.548 20 5 FFBDHN CC(C)[C@@H](C)NC(=O)C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000116379861 508505842 /nfs/dbraw/zinc/50/58/42/508505842.db2.gz ZRLMZSMHGHOZJC-OAHLLOKOSA-N 0 3 363.458 2.846 20 5 FFBDHN CC(C)[C@H](C)NC(=O)C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000134207977 508507998 /nfs/dbraw/zinc/50/79/98/508507998.db2.gz RMRKRFATMYEEEB-HNNXBMFYSA-N 0 3 363.458 2.846 20 5 FFBDHN CCN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000157377099 508558997 /nfs/dbraw/zinc/55/89/97/508558997.db2.gz JYOMNQWNLJGVRT-UHFFFAOYSA-N 0 3 356.426 2.888 20 5 FFBDHN Cc1cc(C(=O)N(CCN(C)C)Cc2cccc(O)c2)cc([N+](=O)[O-])c1 ZINC000153294714 508568940 /nfs/dbraw/zinc/56/89/40/508568940.db2.gz HOJWJYRYQMAECD-UHFFFAOYSA-N 0 3 357.410 2.813 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1OCCN(C)C ZINC000122878871 508600529 /nfs/dbraw/zinc/60/05/29/508600529.db2.gz XINAEZYEPFDEAO-UHFFFAOYSA-N 0 3 357.410 2.774 20 5 FFBDHN CN1CCC(N(Cc2ccco2)C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000122879999 508601248 /nfs/dbraw/zinc/60/12/48/508601248.db2.gz UGKXWMBOBJVEKU-UHFFFAOYSA-N 0 3 373.409 2.690 20 5 FFBDHN O=C(CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccccc1F ZINC000118866184 508688520 /nfs/dbraw/zinc/68/85/20/508688520.db2.gz SFMJZUSUQMMZDR-CYBMUJFWSA-N 0 3 373.388 2.644 20 5 FFBDHN C[C@@H](NCc1cccnc1N1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000158515933 508715550 /nfs/dbraw/zinc/71/55/50/508715550.db2.gz YEPGEUYQRXCUSN-OAHLLOKOSA-N 0 3 355.442 2.592 20 5 FFBDHN C[C@@H]1CN(CCCCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000123627361 508716871 /nfs/dbraw/zinc/71/68/71/508716871.db2.gz XKUMXXYQHVMOEH-CHWSQXEVSA-N 0 3 369.849 2.867 20 5 FFBDHN C[C@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000119221120 508751439 /nfs/dbraw/zinc/75/14/39/508751439.db2.gz YXMVTFZVOQHWMA-MRXNPFEDSA-N 0 3 370.453 2.957 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000119372559 508782896 /nfs/dbraw/zinc/78/28/96/508782896.db2.gz UXUJMHVITOZJOA-BBRMVZONSA-N 0 3 355.398 2.632 20 5 FFBDHN Cc1ccc(NCCCNC(=O)N(CCN(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000159100089 508792627 /nfs/dbraw/zinc/79/26/27/508792627.db2.gz VISQLBWVUYLEHY-UHFFFAOYSA-N 0 3 365.478 2.687 20 5 FFBDHN O=C1[C@@H](N2CCN(C3CCCCC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000141807059 508818573 /nfs/dbraw/zinc/81/85/73/508818573.db2.gz ORBQQGXYTDFJEG-IBGZPJMESA-N 0 3 372.469 2.650 20 5 FFBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(C(F)(F)F)cc1 ZINC000159702535 508877180 /nfs/dbraw/zinc/87/71/80/508877180.db2.gz YDRCSLDVLBGVQB-UHFFFAOYSA-N 0 3 355.316 2.907 20 5 FFBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000154913824 508881451 /nfs/dbraw/zinc/88/14/51/508881451.db2.gz RGBNEXNVGNYFBG-CQSZACIVSA-N 0 3 371.441 2.531 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccccc1OCCN(C)C ZINC000125268050 508957496 /nfs/dbraw/zinc/95/74/96/508957496.db2.gz FQQNMTQZCLXKLU-UHFFFAOYSA-N 0 3 357.410 2.774 20 5 FFBDHN CC(C)OCCN1CCC(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000155253949 508959220 /nfs/dbraw/zinc/95/92/20/508959220.db2.gz MTYYEJZGGIAANG-UHFFFAOYSA-N 0 3 369.849 2.867 20 5 FFBDHN CN(C)[C@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000120553607 509019839 /nfs/dbraw/zinc/01/98/39/509019839.db2.gz MJCWFUBNDAPVLF-LBPRGKRZSA-N 0 3 356.220 2.524 20 5 FFBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000121063419 509120312 /nfs/dbraw/zinc/12/03/12/509120312.db2.gz HLKBCJFEBOYTGU-YGRLFVJLSA-N 0 3 370.247 2.770 20 5 FFBDHN C[C@@H]1CCCN(CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000162089255 509172011 /nfs/dbraw/zinc/17/20/11/509172011.db2.gz JWQKALRMUKWUPG-LLVKDONJSA-N 0 3 370.247 2.819 20 5 FFBDHN CCN1CCC[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000162385090 509213665 /nfs/dbraw/zinc/21/36/65/509213665.db2.gz NDNFWGFRLLAYQQ-GFCCVEGCSA-N 0 3 356.220 2.571 20 5 FFBDHN COc1ccc(NC(=O)CN[C@@H](C)[C@H]2COc3ccccc32)c([N+](=O)[O-])c1 ZINC000185550174 509232909 /nfs/dbraw/zinc/23/29/09/509232909.db2.gz GNKOUZROTUGCLZ-SWLSCSKDSA-N 0 3 371.393 2.696 20 5 FFBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192021927 509302558 /nfs/dbraw/zinc/30/25/58/509302558.db2.gz WSHBVFHPSTZQQF-RDJZCZTQSA-N 0 3 363.801 2.530 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCS[C@@H]2CCCC[C@@H]21 ZINC000248473137 509337113 /nfs/dbraw/zinc/33/71/13/509337113.db2.gz WRDMEHURAVYZBO-UKPHBRMFSA-N 0 3 352.456 2.695 20 5 FFBDHN COCCCNC(=O)C1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182683232 509370292 /nfs/dbraw/zinc/37/02/92/509370292.db2.gz TXJMFPPITQKRQR-OAHLLOKOSA-N 0 3 363.458 2.829 20 5 FFBDHN C[C@@H](CCN1CCN(C)CC1)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000185877424 509400904 /nfs/dbraw/zinc/40/09/04/509400904.db2.gz ZPDVFFDXYXLCLU-INIZCTEOSA-N 0 3 372.469 2.970 20 5 FFBDHN CC1CCN(c2ccc(C(=O)N3C[C@@H](C)NC[C@H]3C)cc2[N+](=O)[O-])CC1 ZINC000236669377 509476786 /nfs/dbraw/zinc/47/67/86/509476786.db2.gz ROLGAUVIALQCFH-HUUCEWRRSA-N 0 3 360.458 2.654 20 5 FFBDHN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCN1C1CCOCC1 ZINC000186022196 509484512 /nfs/dbraw/zinc/48/45/12/509484512.db2.gz YVWNJXHRFSWXRH-INIZCTEOSA-N 0 3 367.833 2.508 20 5 FFBDHN O=C(NC1CCN(C2CC2)CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000267476705 509506760 /nfs/dbraw/zinc/50/67/60/509506760.db2.gz GQJBTJWSLUMKSW-UHFFFAOYSA-N 0 3 368.231 2.714 20 5 FFBDHN CCc1[nH]nc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000192670304 509591466 /nfs/dbraw/zinc/59/14/66/509591466.db2.gz RBGRPZMLHRVXEL-OAHLLOKOSA-N 0 3 371.441 2.617 20 5 FFBDHN CCc1n[nH]c(C(=O)N(CC)[C@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000192898112 509689931 /nfs/dbraw/zinc/68/99/31/509689931.db2.gz WMXZOFLXGNHBIV-HNNXBMFYSA-N 0 3 371.441 2.617 20 5 FFBDHN CCc1[nH]nc(C(=O)N(CC)[C@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000192898112 509689933 /nfs/dbraw/zinc/68/99/33/509689933.db2.gz WMXZOFLXGNHBIV-HNNXBMFYSA-N 0 3 371.441 2.617 20 5 FFBDHN COc1ccc(CN2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000249817385 509768535 /nfs/dbraw/zinc/76/85/35/509768535.db2.gz LNBTWUQUIWXTQT-HLLBOEOZSA-N 0 3 363.458 2.677 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000268183527 509801704 /nfs/dbraw/zinc/80/17/04/509801704.db2.gz LXOGJEQWMGNUEF-TVQRCGJNSA-N 0 3 357.332 2.826 20 5 FFBDHN CCOC(=O)C[C@@](C)(NCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000186720655 509871739 /nfs/dbraw/zinc/87/17/39/509871739.db2.gz CZDUHBJAKBUMNL-GOSISDBHSA-N 0 3 365.430 2.799 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CN1C1CC1 ZINC000177154064 509905260 /nfs/dbraw/zinc/90/52/60/509905260.db2.gz OPHPKQDLLZYTGE-ZBFHGGJFSA-N 0 3 372.469 2.553 20 5 FFBDHN CN(CCOc1ccc(C(F)(F)F)cc1)CCn1ccc([N+](=O)[O-])n1 ZINC000190367736 510090162 /nfs/dbraw/zinc/09/01/62/510090162.db2.gz JLCNDMHHTNXJAR-UHFFFAOYSA-N 0 3 358.320 2.821 20 5 FFBDHN COc1cc(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000193838464 510093009 /nfs/dbraw/zinc/09/30/09/510093009.db2.gz RPPFLBICQGLOPY-INIZCTEOSA-N 0 3 369.421 2.855 20 5 FFBDHN C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC000187182998 510107370 /nfs/dbraw/zinc/10/73/70/510107370.db2.gz ADTOCUKTFXGDMN-IFXJQAMLSA-N 0 3 357.410 2.781 20 5 FFBDHN COc1cc(Br)ccc1[C@H](C)NCCn1cc([N+](=O)[O-])cn1 ZINC000190440871 510132729 /nfs/dbraw/zinc/13/27/29/510132729.db2.gz BKCNUKOLFHTXPY-JTQLQIEISA-N 0 3 369.219 2.913 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1cccc(CN(C)C)c1 ZINC000193946820 510143320 /nfs/dbraw/zinc/14/33/20/510143320.db2.gz AXFMYWUHJDBUCF-UHFFFAOYSA-N 0 3 372.425 2.664 20 5 FFBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](N(C)C)C1 ZINC000245819466 510156736 /nfs/dbraw/zinc/15/67/36/510156736.db2.gz UCDJOFBJLNVEAM-WCQYABFASA-N 0 3 354.838 2.601 20 5 FFBDHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCCN(C2CCCC2)CC1 ZINC000265678332 510170511 /nfs/dbraw/zinc/17/05/11/510170511.db2.gz DIOCTTUUXLNHAD-UHFFFAOYSA-N 0 3 365.405 2.590 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(c3c[nH]c4ccccc43)CC2)c1 ZINC000174711766 510265848 /nfs/dbraw/zinc/26/58/48/510265848.db2.gz SLSSYHJVQQAHAE-MRXNPFEDSA-N 0 3 369.425 2.513 20 5 FFBDHN C[C@H](N[C@@H]1[C@H]2CCO[C@H]2C1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000265907816 510292325 /nfs/dbraw/zinc/29/23/25/510292325.db2.gz AISVKMWEVRMDJN-FOOGCRFISA-N 0 3 367.833 2.978 20 5 FFBDHN CC(C)c1n[nH]c(C(=O)NCCCN(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000269373836 510369129 /nfs/dbraw/zinc/36/91/29/510369129.db2.gz MWBIUNBGCUUITN-UHFFFAOYSA-N 0 3 359.430 2.693 20 5 FFBDHN CC(C)c1n[nH]c(C(=O)NC[C@H](C)N(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000269488643 510432162 /nfs/dbraw/zinc/43/21/62/510432162.db2.gz XGATWPGETUQAFG-ZDUSSCGKSA-N 0 3 359.430 2.692 20 5 FFBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000184812395 510525445 /nfs/dbraw/zinc/52/54/45/510525445.db2.gz AVFXJMBCOLPTEU-PWSUYJOCSA-N 0 3 370.247 2.770 20 5 FFBDHN CC(C)CN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C1CCN(C)CC1 ZINC000181885050 510641807 /nfs/dbraw/zinc/64/18/07/510641807.db2.gz HRLSMBXLRCOPTG-UHFFFAOYSA-N 0 3 363.414 2.516 20 5 FFBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H]1COc2ccccc2O1 ZINC000175484678 510661769 /nfs/dbraw/zinc/66/17/69/510661769.db2.gz CSEKNQNSBVFZQS-MRXNPFEDSA-N 0 3 371.393 2.695 20 5 FFBDHN CN(Cc1ccccc1N1CCOCC1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178569885 510667915 /nfs/dbraw/zinc/66/79/15/510667915.db2.gz XEQYRUWHDIPNLG-FQEVSTJZSA-N 0 3 371.437 2.597 20 5 FFBDHN C[C@H]1CN(C)c2ccccc2CN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181976739 510687920 /nfs/dbraw/zinc/68/79/20/510687920.db2.gz XJHJMEHATADSRF-RDJZCZTQSA-N 0 3 371.437 2.675 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)ccc1CN1CCN(CC2CCOCC2)CC1 ZINC000172426463 510722579 /nfs/dbraw/zinc/72/25/79/510722579.db2.gz VEOWFOGPKYZCRJ-UHFFFAOYSA-N 0 3 353.850 2.792 20 5 FFBDHN CN1CCC(N(Cc2ccco2)C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000191620302 510755462 /nfs/dbraw/zinc/75/54/62/510755462.db2.gz WXVIAEBYDTWSJF-UHFFFAOYSA-N 0 3 358.398 2.507 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@H](Nc2ccccc2)C1 ZINC000182145591 510780698 /nfs/dbraw/zinc/78/06/98/510780698.db2.gz NUYVKSTYOAGTOZ-IRXDYDNUSA-N 0 3 357.410 2.521 20 5 FFBDHN COCC1(O)CCN(Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000270397132 510792919 /nfs/dbraw/zinc/79/29/19/510792919.db2.gz UPZISCNSHXYISU-UHFFFAOYSA-N 0 3 353.418 2.920 20 5 FFBDHN COc1ccc([C@H](C)NC[C@H](O)COc2ccccc2[N+](=O)[O-])cc1F ZINC000182179112 510798501 /nfs/dbraw/zinc/79/85/01/510798501.db2.gz ZYXBAAIRZRGHSB-JSGCOSHPSA-N 0 3 364.373 2.833 20 5 FFBDHN C[C@@H](CN1CCCCCC1)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000185419552 510840415 /nfs/dbraw/zinc/84/04/15/510840415.db2.gz IJLBDTZVFKTALR-HNNXBMFYSA-N 0 3 371.441 2.775 20 5 FFBDHN O=[N+]([O-])c1ccc2c(ccnc2N2CCN(CC3CCOCC3)CC2)c1 ZINC000297318917 510901955 /nfs/dbraw/zinc/90/19/55/510901955.db2.gz ZMTXDLPTDMEFJZ-UHFFFAOYSA-N 0 3 356.426 2.692 20 5 FFBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000270976780 511044338 /nfs/dbraw/zinc/04/43/38/511044338.db2.gz ITGYBNRNLAHXFM-HNNXBMFYSA-N 0 3 374.485 2.997 20 5 FFBDHN COc1cc(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000294648398 511131692 /nfs/dbraw/zinc/13/16/92/511131692.db2.gz VLSSCFLMBRFZRJ-VXGBXAGGSA-N 0 3 353.394 2.593 20 5 FFBDHN COc1cc(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000294648396 511131721 /nfs/dbraw/zinc/13/17/21/511131721.db2.gz VLSSCFLMBRFZRJ-RYUDHWBXSA-N 0 3 353.394 2.593 20 5 FFBDHN CN1CCN(CC2(C)CCN(c3cccc(F)c3[N+](=O)[O-])CC2)CC1 ZINC000364948589 511170581 /nfs/dbraw/zinc/17/05/81/511170581.db2.gz YXISXEGWYATCGE-UHFFFAOYSA-N 0 3 350.438 2.588 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)C2CCN(C(C)C)CC2)c1C ZINC000298160660 511193686 /nfs/dbraw/zinc/19/36/86/511193686.db2.gz QKHJWUMUZFEGMH-UHFFFAOYSA-N 0 3 369.487 2.705 20 5 FFBDHN CCN1CC[C@@H](N(C)C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000294968334 511238496 /nfs/dbraw/zinc/23/84/96/511238496.db2.gz NBWUTBOXBWTPRN-WMLDXEAASA-N 0 3 361.442 2.746 20 5 FFBDHN COc1ccc(CNC2CCN(C(=O)OCC(C)C)CC2)cc1[N+](=O)[O-] ZINC000271945636 511379676 /nfs/dbraw/zinc/37/96/76/511379676.db2.gz QAGSAHFUNQBWGU-UHFFFAOYSA-N 0 3 365.430 2.950 20 5 FFBDHN C[C@@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCN(C2CC2)C1 ZINC000295422049 511400164 /nfs/dbraw/zinc/40/01/64/511400164.db2.gz UBMWVALXNKRCLM-ZDUSSCGKSA-N 0 3 356.426 2.561 20 5 FFBDHN COc1ccc(CNC(=O)NC[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000298862900 511434773 /nfs/dbraw/zinc/43/47/73/511434773.db2.gz KJQQTPNQMZWUGU-KRWDZBQOSA-N 0 3 372.425 2.706 20 5 FFBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)c1 ZINC000272179828 511455841 /nfs/dbraw/zinc/45/58/41/511455841.db2.gz CQSUEGDMUYODRY-HNNXBMFYSA-N 0 3 373.461 2.837 20 5 FFBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)c1 ZINC000272179828 511455843 /nfs/dbraw/zinc/45/58/43/511455843.db2.gz CQSUEGDMUYODRY-HNNXBMFYSA-N 0 3 373.461 2.837 20 5 FFBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272205181 511464108 /nfs/dbraw/zinc/46/41/08/511464108.db2.gz ZDHMXJJIGPLGPU-SWLSCSKDSA-N 0 3 353.369 2.629 20 5 FFBDHN Cc1[nH]ncc1CN1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284378077 511703449 /nfs/dbraw/zinc/70/34/49/511703449.db2.gz ODZCZJHFOITDCZ-UHFFFAOYSA-N 0 3 351.204 2.947 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCN(Cc3ccccc3)[C@H]2C)n1 ZINC000312597589 511785866 /nfs/dbraw/zinc/78/58/66/511785866.db2.gz FIHSRZPESIZCOC-ZFWWWQNUSA-N 0 3 370.409 2.851 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)[C@@H](C)C2CCN(C)CC2)c1 ZINC000281646332 511919841 /nfs/dbraw/zinc/91/98/41/511919841.db2.gz RMDRKFYIIWYEPV-HNNXBMFYSA-N 0 3 363.458 2.861 20 5 FFBDHN COc1ccccc1COC[C@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296846447 511921362 /nfs/dbraw/zinc/92/13/62/511921362.db2.gz XQNBBSRPIMWPTI-KBXCAEBGSA-N 0 3 360.410 2.832 20 5 FFBDHN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CCN(C2CCC2)C1 ZINC000293665007 512044868 /nfs/dbraw/zinc/04/48/68/512044868.db2.gz JTTLKJYPCWNLQV-AWEZNQCLSA-N 0 3 360.458 2.607 20 5 FFBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H](c3nc4ccc(F)cc4o3)C2)n1 ZINC000378245466 512656728 /nfs/dbraw/zinc/65/67/28/512656728.db2.gz NVSAFCGENVLUOF-LBPRGKRZSA-N 0 3 359.361 2.951 20 5 FFBDHN CCc1ccc([C@H](CO)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000411510670 512668082 /nfs/dbraw/zinc/66/80/82/512668082.db2.gz OEUNVMQLSYWTIL-SFHVURJKSA-N 0 3 357.410 2.809 20 5 FFBDHN O=C1C[C@H]([C@@H]2CCCCN2Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CN1 ZINC000372335067 512820779 /nfs/dbraw/zinc/82/07/79/512820779.db2.gz ZASXSHDYHKKIPJ-YOEHRIQHSA-N 0 3 370.409 2.740 20 5 FFBDHN CCOc1cc(CN2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000411970524 512895320 /nfs/dbraw/zinc/89/53/20/512895320.db2.gz FXZRARSFPCHKPQ-SJORKVTESA-N 0 3 369.421 2.694 20 5 FFBDHN C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000376636958 512912190 /nfs/dbraw/zinc/91/21/90/512912190.db2.gz NCJFKCGVOAYZBC-PBHICJAKSA-N 0 3 366.893 2.706 20 5 FFBDHN COc1cc(OCCN(C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000412562811 513165102 /nfs/dbraw/zinc/16/51/02/513165102.db2.gz JDKPSGDHRCBAMB-UHFFFAOYSA-N 0 3 365.411 2.858 20 5 FFBDHN C[C@@]12CCN(CCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)C[C@@H]1C2(F)F ZINC000428735796 513177285 /nfs/dbraw/zinc/17/72/85/513177285.db2.gz XJLFMVOXKFAQMV-GOEBONIOSA-N 0 3 367.352 2.870 20 5 FFBDHN CC(C)c1n[nH]c(C(=O)N(CCN(C)C)Cc2cccs2)c1[N+](=O)[O-] ZINC000434014929 513216265 /nfs/dbraw/zinc/21/62/65/513216265.db2.gz YLYRMHXKOPHJQF-UHFFFAOYSA-N 0 3 365.459 2.707 20 5 FFBDHN CC(C)c1[nH]nc(C(=O)N(CCN(C)C)Cc2cccs2)c1[N+](=O)[O-] ZINC000434014929 513216269 /nfs/dbraw/zinc/21/62/69/513216269.db2.gz YLYRMHXKOPHJQF-UHFFFAOYSA-N 0 3 365.459 2.707 20 5 FFBDHN Cc1c(NC(=O)C(=O)Nc2ccc(CN(C)C)cc2)cccc1[N+](=O)[O-] ZINC000446654224 513307479 /nfs/dbraw/zinc/30/74/79/513307479.db2.gz UELYQQLUIFJUDW-UHFFFAOYSA-N 0 3 356.382 2.542 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000418003926 513330789 /nfs/dbraw/zinc/33/07/89/513330789.db2.gz NLCOBDHQZCYOEM-YJBOKZPZSA-N 0 3 360.435 2.762 20 5 FFBDHN CCC1(CC)[C@H](NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1OC ZINC000429299656 513333197 /nfs/dbraw/zinc/33/31/97/513333197.db2.gz ZUHKKCWGIYBDEZ-SJORKVTESA-N 0 3 361.442 2.667 20 5 FFBDHN CN1CC[C@@H]2CN(c3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])C[C@@H]21 ZINC000450775611 513335060 /nfs/dbraw/zinc/33/50/60/513335060.db2.gz GEXDKSDHTWBOBT-KCJUWKMLSA-N 0 3 366.290 2.784 20 5 FFBDHN CN(C[C@H]1CCCN1C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000421706463 513378664 /nfs/dbraw/zinc/37/86/64/513378664.db2.gz VAFCEZVPIHTTNZ-CYBMUJFWSA-N 0 3 355.822 2.570 20 5 FFBDHN CN(C)C(=O)c1cccc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447525654 513497217 /nfs/dbraw/zinc/49/72/17/513497217.db2.gz APYAOYUBEWODKV-IAGOWNOFSA-N 0 3 371.441 2.767 20 5 FFBDHN CCNC(=O)c1cccc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447529922 513498814 /nfs/dbraw/zinc/49/88/14/513498814.db2.gz NCHBWYJCHHJLFB-IRXDYDNUSA-N 0 3 371.441 2.815 20 5 FFBDHN O=C(CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)Nc1ccc(F)cc1 ZINC000447540488 513501765 /nfs/dbraw/zinc/50/17/65/513501765.db2.gz JVMKUBMVQZHBCN-CABCVRRESA-N 0 3 361.377 2.642 20 5 FFBDHN COc1ccc(OCCN2CCC[C@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000441186292 513508362 /nfs/dbraw/zinc/50/83/62/513508362.db2.gz WNDSXDZADQZSLF-LSDHHAIUSA-N 0 3 350.415 2.731 20 5 FFBDHN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C)n(C2CCN(C)CC2)n1 ZINC000430471285 513662436 /nfs/dbraw/zinc/66/24/36/513662436.db2.gz JUVYIYROWMGYOR-UHFFFAOYSA-N 0 3 357.414 2.927 20 5 FFBDHN O=[N+]([O-])c1ccn(CCN[C@H](CCO)c2cccc(C(F)(F)F)c2)n1 ZINC000451301807 513663528 /nfs/dbraw/zinc/66/35/28/513663528.db2.gz CTQDSJUHYMTGQA-CYBMUJFWSA-N 0 3 358.320 2.523 20 5 FFBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451339620 513686323 /nfs/dbraw/zinc/68/63/23/513686323.db2.gz ILTBNIWGSFOVTH-BVPBIZIASA-N 0 3 361.442 2.937 20 5 FFBDHN CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNc1c([N+](=O)[O-])c(C)nn1C ZINC000413536427 513703562 /nfs/dbraw/zinc/70/35/62/513703562.db2.gz QWJRRVKYDZBJOZ-IAGOWNOFSA-N 0 3 373.457 2.586 20 5 FFBDHN CN(C)[C@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)C1CC1 ZINC000436062475 513749408 /nfs/dbraw/zinc/74/94/08/513749408.db2.gz RGYAGRWGZLDHEM-QGZVFWFLSA-N 0 3 367.424 2.890 20 5 FFBDHN CC1(C)[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]2CCCO[C@H]21 ZINC000451479055 513776119 /nfs/dbraw/zinc/77/61/19/513776119.db2.gz LQWZMMAJFMIPTA-IUIKQTSFSA-N 0 3 367.833 2.980 20 5 FFBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCNCc2ccccc21 ZINC000430959290 513792921 /nfs/dbraw/zinc/79/29/21/513792921.db2.gz XXJLFRVYBYMWMR-UHFFFAOYSA-N 0 3 368.393 2.503 20 5 FFBDHN CC1(C)[C@H](Oc2ccccc2)C[C@@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000451514752 513801975 /nfs/dbraw/zinc/80/19/75/513801975.db2.gz YQUNBVDKDCZSOI-DLBZAZTESA-N 0 3 357.410 2.592 20 5 FFBDHN Cc1nn(-c2ccncc2)cc1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425976339 513813100 /nfs/dbraw/zinc/81/31/00/513813100.db2.gz QRRXKJBSUMJSMK-UHFFFAOYSA-N 0 3 367.413 2.518 20 5 FFBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CCC[C@@H](C)C1 ZINC000448706584 513857188 /nfs/dbraw/zinc/85/71/88/513857188.db2.gz ZIGMNKISNLXKOM-HUUCEWRRSA-N 0 3 371.441 2.631 20 5 FFBDHN CN(CCN1CCCC1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426262470 513889680 /nfs/dbraw/zinc/88/96/80/513889680.db2.gz FJIOYLRQGLFKAD-UHFFFAOYSA-N 0 3 374.363 2.851 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)C(C)(C)CN2CCCC2)c1C ZINC000416658303 513892663 /nfs/dbraw/zinc/89/26/63/513892663.db2.gz FNEROCRFNGEPMQ-UHFFFAOYSA-N 0 3 369.487 2.707 20 5 FFBDHN COc1cc(C(=O)NCCN(C)Cc2ccccc2)c([N+](=O)[O-])cc1F ZINC000448777483 513893150 /nfs/dbraw/zinc/89/31/50/513893150.db2.gz MGHBSMDWHXDVRQ-UHFFFAOYSA-N 0 3 361.373 2.604 20 5 FFBDHN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CCC[C@@H](N2CCCC2)C1 ZINC000448934807 513979210 /nfs/dbraw/zinc/97/92/10/513979210.db2.gz XHFRSOJYAUUXLX-MRXNPFEDSA-N 0 3 369.425 2.685 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2csc(N3CCN(C[C@@H]4CCOC4)CC3)n2)cc1 ZINC000448979504 514004475 /nfs/dbraw/zinc/00/44/75/514004475.db2.gz IUJLOIUGQMDCHW-AWEZNQCLSA-N 0 3 374.466 2.877 20 5 FFBDHN CN(C)CC[C@@](C)(O)CNC(=O)c1cc2ccccc2c2cccnc12 ZINC000420044649 514007201 /nfs/dbraw/zinc/00/72/01/514007201.db2.gz PXYXBGCRWDLRDS-OAQYLSRUSA-N 0 3 351.450 2.821 20 5 FFBDHN CCN1CCCC[C@@H]1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431931625 514043429 /nfs/dbraw/zinc/04/34/29/514043429.db2.gz RDUQPNMRMNGWQF-CYBMUJFWSA-N 0 3 370.247 2.962 20 5 FFBDHN O=[N+]([O-])c1cccc(CNC[C@@H](CO)Cc2cc(F)c(F)c(F)c2)c1 ZINC000443991486 514094745 /nfs/dbraw/zinc/09/47/45/514094745.db2.gz VBLYSXWPSQCXOZ-ZDUSSCGKSA-N 0 3 354.328 2.953 20 5 FFBDHN COc1cc(CNCCN2CCCC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000444019195 514100530 /nfs/dbraw/zinc/10/05/30/514100530.db2.gz WQRFKNZJESVNGO-UHFFFAOYSA-N 0 3 351.447 2.824 20 5 FFBDHN C[C@@H](CCN(C)C)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444025247 514102237 /nfs/dbraw/zinc/10/22/37/514102237.db2.gz TWWGEVJLRFKCQZ-LBPRGKRZSA-N 0 3 355.413 2.890 20 5 FFBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000449240670 514126672 /nfs/dbraw/zinc/12/66/72/514126672.db2.gz OHLGMOJPIUNIJB-CRAIPNDOSA-N 0 3 368.437 2.702 20 5 FFBDHN O=[N+]([O-])c1cccc2c(N3CCC(CN4CCOCC4)CC3)ccnc21 ZINC000432313223 514156942 /nfs/dbraw/zinc/15/69/42/514156942.db2.gz RCIJFSFSLFEOSC-UHFFFAOYSA-N 0 3 356.426 2.692 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(C)nn1C1CCN(C)CC1 ZINC000427381605 514198826 /nfs/dbraw/zinc/19/88/26/514198826.db2.gz IKVHBJVHOQGAQC-UHFFFAOYSA-N 0 3 373.413 2.627 20 5 FFBDHN CC(C)N1CC[C@@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000452121271 514205928 /nfs/dbraw/zinc/20/59/28/514205928.db2.gz SGOZRZBKTKUHJG-CYBMUJFWSA-N 0 3 354.838 2.601 20 5 FFBDHN COC[C@@]1(C(=O)OC)CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000449460450 514217615 /nfs/dbraw/zinc/21/76/15/514217615.db2.gz ZBDJNDZMFDMVBG-LJQANCHMSA-N 0 3 374.393 2.866 20 5 FFBDHN CCOc1cc(NC(=O)N2C[C@H](C)NC[C@@H]2C)c([N+](=O)[O-])cc1OCC ZINC000414762087 514279530 /nfs/dbraw/zinc/27/95/30/514279530.db2.gz VJOFBRKLSAIJDT-RYUDHWBXSA-N 0 3 366.418 2.606 20 5 FFBDHN CCOc1ccc(C(=O)NC[C@@H](N)c2ccccc2CC)cc1[N+](=O)[O-] ZINC000423974763 514317148 /nfs/dbraw/zinc/31/71/48/514317148.db2.gz LDWLNQXTQTWAEQ-MRXNPFEDSA-N 0 3 357.410 2.986 20 5 FFBDHN C[C@]1(Cc2ccc(F)cc2)CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000420921464 514377207 /nfs/dbraw/zinc/37/72/07/514377207.db2.gz CUROLWXDRHLUIB-LJQANCHMSA-N 0 3 359.401 2.993 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3CNCCC3(F)F)cs2)c1 ZINC000415003367 514398330 /nfs/dbraw/zinc/39/83/30/514398330.db2.gz OXRZCLUNILNZQS-ZDUSSCGKSA-N 0 3 354.382 2.805 20 5 FFBDHN CC(C)[C@@H](CNc1nccc2c1cccc2[N+](=O)[O-])N1CCN(C)CC1 ZINC000450242169 514560986 /nfs/dbraw/zinc/56/09/86/514560986.db2.gz KXFISCSNCSTYLO-GOSISDBHSA-N 0 3 357.458 2.827 20 5 FFBDHN CN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475322271 514620086 /nfs/dbraw/zinc/62/00/86/514620086.db2.gz OKQSCELPLGVWNC-SFHVURJKSA-N 0 3 369.421 2.707 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000488889073 514621078 /nfs/dbraw/zinc/62/10/78/514621078.db2.gz JKYGNZMJXOJSBJ-MRXNPFEDSA-N 0 3 361.373 2.775 20 5 FFBDHN Cc1c(Br)cc(C(=O)NC2(CN(C)C)CCC2)cc1[N+](=O)[O-] ZINC000466566417 514694206 /nfs/dbraw/zinc/69/42/06/514694206.db2.gz MQFCLYIVFFQBSV-UHFFFAOYSA-N 0 3 370.247 2.880 20 5 FFBDHN Cc1cc(NCCCN2CCN(C)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461732698 514711687 /nfs/dbraw/zinc/71/16/87/514711687.db2.gz RGFBWXKONQTPJY-UHFFFAOYSA-N 0 3 360.380 2.971 20 5 FFBDHN C[C@H]1CN(CC2CCN(c3ccc([N+](=O)[O-])c(N)c3F)CC2)C[C@H](C)O1 ZINC000476095116 514914238 /nfs/dbraw/zinc/91/42/38/514914238.db2.gz JWTHNKSJKXOCEH-STQMWFEESA-N 0 3 366.437 2.642 20 5 FFBDHN C[C@H]1CCN(C)CCN1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000498476600 514920964 /nfs/dbraw/zinc/92/09/64/514920964.db2.gz WKEMHZHODDTODW-LBPRGKRZSA-N 0 3 354.838 2.526 20 5 FFBDHN COc1ccc(CNC[C@@H](CO)Cc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000480459955 514966707 /nfs/dbraw/zinc/96/67/07/514966707.db2.gz JDZPYWMCOAEIAV-AWEZNQCLSA-N 0 3 366.364 2.822 20 5 FFBDHN C[C@@H](CO)N1CCCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485407074 515028239 /nfs/dbraw/zinc/02/82/39/515028239.db2.gz MKLWUJFQHHYGCR-AWEZNQCLSA-N 0 3 374.416 2.689 20 5 FFBDHN C[C@@H](NCCCCN1C(=O)NC2(CCCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000480767033 515075265 /nfs/dbraw/zinc/07/52/65/515075265.db2.gz SDTZKOPRHUTYQO-CQSZACIVSA-N 0 3 374.441 2.890 20 5 FFBDHN O=[N+]([O-])c1ccccc1/C=C\CNCc1cnc(N2CCOCC2)c(F)c1 ZINC000462535372 515110674 /nfs/dbraw/zinc/11/06/74/515110674.db2.gz BKISDVNWDHLPQZ-HYXAFXHYSA-N 0 3 372.400 2.769 20 5 FFBDHN COc1cccc(CN(CCn2cc([N+](=O)[O-])cn2)C2CCC(O)CC2)c1 ZINC000472245819 515182696 /nfs/dbraw/zinc/18/26/96/515182696.db2.gz XAFAFUSZJWLQNB-UHFFFAOYSA-N 0 3 374.441 2.606 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CCN(C(C)C)C(C)C ZINC000503997056 515192317 /nfs/dbraw/zinc/19/23/17/515192317.db2.gz ADWMUKVFDPFMGJ-UHFFFAOYSA-N 0 3 357.476 2.643 20 5 FFBDHN Cc1c(CNC(=O)c2ccccc2OCCN(C)C)cccc1[N+](=O)[O-] ZINC000481464679 515337206 /nfs/dbraw/zinc/33/72/06/515337206.db2.gz KDTAVWJKTNQIBF-UHFFFAOYSA-N 0 3 357.410 2.774 20 5 FFBDHN COc1ccccc1[C@@H]1CC[C@H](C)CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000510258617 515486550 /nfs/dbraw/zinc/48/65/50/515486550.db2.gz ZXOFNIBEKBOKLL-ZVZYQTTQSA-N 0 3 374.441 2.634 20 5 FFBDHN CCc1n[nH]c(C(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)c1[N+](=O)[O-] ZINC000510526482 515569952 /nfs/dbraw/zinc/56/99/52/515569952.db2.gz STLIDIBYAUQEKH-WBMJQRKESA-N 0 3 359.430 2.610 20 5 FFBDHN CN(C)CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000505681000 515632662 /nfs/dbraw/zinc/63/26/62/515632662.db2.gz LMRYKVKZBOXYLS-UHFFFAOYSA-N 0 3 356.220 2.524 20 5 FFBDHN COc1cc(CNC[C@H]2CCC[C@@H](O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493600550 515646171 /nfs/dbraw/zinc/64/61/71/515646171.db2.gz CPUPONBGYZVQRX-WCQYABFASA-N 0 3 374.384 2.888 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC3(CCCC3)[C@H]2c2ccccc2)c1 ZINC000459568216 515657158 /nfs/dbraw/zinc/65/71/58/515657158.db2.gz BDYUYHIEOBTUQP-ZWKOTPCHSA-N 0 3 356.426 2.770 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000510789465 515670114 /nfs/dbraw/zinc/67/01/14/515670114.db2.gz DWLDVOGFQMKGEK-UHFFFAOYSA-N 0 3 363.483 2.995 20 5 FFBDHN C[C@@H]1CCCN(c2ccc(C(=O)N3C[C@@H](C)NC[C@H]3C)cc2[N+](=O)[O-])C1 ZINC000505880602 515709133 /nfs/dbraw/zinc/70/91/33/515709133.db2.gz WGHCUIOPMJUPIU-RBSFLKMASA-N 0 3 360.458 2.654 20 5 FFBDHN C[C@H]1[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000494061266 515724562 /nfs/dbraw/zinc/72/45/62/515724562.db2.gz VKMFQDBXLXJQJW-RDJZCZTQSA-N 0 3 368.437 2.786 20 5 FFBDHN C[C@H](NC1(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CCOCC1)c1ccccc1 ZINC000500466977 515725857 /nfs/dbraw/zinc/72/58/57/515725857.db2.gz SJLIWRIIIYYIIG-AWEZNQCLSA-N 0 3 372.425 2.553 20 5 FFBDHN CN(C)CCOc1cccc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000506261589 515831020 /nfs/dbraw/zinc/83/10/20/515831020.db2.gz IMZWEMDHYITJTM-UHFFFAOYSA-N 0 3 372.425 2.899 20 5 FFBDHN O=[N+]([O-])c1cccc(F)c1CN1CCC(CCN2CCOCC2)CC1 ZINC000506585284 515923497 /nfs/dbraw/zinc/92/34/97/515923497.db2.gz QVFOWSGSDOUUSS-UHFFFAOYSA-N 0 3 351.422 2.668 20 5 FFBDHN COc1cc(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000478718134 515940810 /nfs/dbraw/zinc/94/08/10/515940810.db2.gz AWFLGCMRDCYZSJ-QWHCGFSZSA-N 0 3 365.430 2.605 20 5 FFBDHN COc1c(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)cccc1[N+](=O)[O-] ZINC000474400266 516031297 /nfs/dbraw/zinc/03/12/97/516031297.db2.gz SHEFGSLWWGAPIX-OAHLLOKOSA-N 0 3 357.410 2.506 20 5 FFBDHN CN(CCN1CCN(Cc2ccccc2)CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000511824553 516044460 /nfs/dbraw/zinc/04/44/60/516044460.db2.gz USYYBEOSEYDGIK-UHFFFAOYSA-N 0 3 368.481 2.844 20 5 FFBDHN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000460208847 516068193 /nfs/dbraw/zinc/06/81/93/516068193.db2.gz HPXRHCGOIZWVCR-KBPBESRZSA-N 0 3 358.446 2.792 20 5 FFBDHN C[C@H]1CN(CCCCNc2c3ccccc3ncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000488112780 516120758 /nfs/dbraw/zinc/12/07/58/516120758.db2.gz IJXLEUAWJUFKJQ-GJZGRUSLSA-N 0 3 358.442 2.866 20 5 FFBDHN CN(C)C1(CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)Cc2ccccc2C1 ZINC000470140171 516138703 /nfs/dbraw/zinc/13/87/03/516138703.db2.gz DGVLZMYKACEMKJ-UHFFFAOYSA-N 0 3 372.400 2.955 20 5 FFBDHN CCN1CC[C@H](N(C)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[C@@H]1C ZINC000495473972 516174457 /nfs/dbraw/zinc/17/44/57/516174457.db2.gz KSTISRNWMBNZTH-GJZGRUSLSA-N 0 3 371.441 2.725 20 5 FFBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3cccc(-n4cccn4)c3)CC2)n1 ZINC000488717395 516293223 /nfs/dbraw/zinc/29/32/23/516293223.db2.gz SIOOGMAEJJQMJG-UHFFFAOYSA-N 0 3 352.398 2.814 20 5 FFBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000488748220 516300004 /nfs/dbraw/zinc/30/00/04/516300004.db2.gz KAQGBVBDNNWCTE-WOSRLPQWSA-N 0 3 361.442 2.856 20 5 FFBDHN CN1C[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@@H](c2ccccc2)C1 ZINC000497412342 516320807 /nfs/dbraw/zinc/32/08/07/516320807.db2.gz ZFBQZIMHDYGYCF-NVXWUHKLSA-N 0 3 364.405 2.904 20 5 FFBDHN CCCCN1CCCC[C@@H]1CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000561153976 516412567 /nfs/dbraw/zinc/41/25/67/516412567.db2.gz LUDRSZZYRSJCMM-CQSZACIVSA-N 0 3 359.430 2.732 20 5 FFBDHN Cc1cccc(NCCN[C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000540220217 516481288 /nfs/dbraw/zinc/48/12/88/516481288.db2.gz LDZQCZUAGSXOBL-CQSZACIVSA-N 0 3 357.414 2.717 20 5 FFBDHN COc1cc(CN[C@@H](C)C[C@H](C)O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000543949786 516510528 /nfs/dbraw/zinc/51/05/28/516510528.db2.gz XMWNZJHRURTWKK-UWVGGRQHSA-N 0 3 366.336 2.794 20 5 FFBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)C1 ZINC000561347282 516535576 /nfs/dbraw/zinc/53/55/76/516535576.db2.gz IDPLMKXOSNMIJX-DCGLDWPTSA-N 0 3 365.861 2.979 20 5 FFBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@@H](C)C1 ZINC000558027891 516559763 /nfs/dbraw/zinc/55/97/63/516559763.db2.gz XFFMFBWSWPJWAP-KHYOSLBOSA-N 0 3 370.453 2.738 20 5 FFBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000561746992 516746490 /nfs/dbraw/zinc/74/64/90/516746490.db2.gz QTPOWGAQKYPWDL-BXWFABGCSA-N 0 3 374.485 2.976 20 5 FFBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000561762604 516756800 /nfs/dbraw/zinc/75/68/00/516756800.db2.gz PBHBWZFGSKDJHQ-VBQJREDUSA-N 0 3 363.483 2.876 20 5 FFBDHN C[C@@H]1CCN(CCNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C1 ZINC000524774910 516825611 /nfs/dbraw/zinc/82/56/11/516825611.db2.gz ISKREEUHUPHXHP-MRXNPFEDSA-N 0 3 374.485 2.903 20 5 FFBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000558596186 516828401 /nfs/dbraw/zinc/82/84/01/516828401.db2.gz JEGNBSLDVVCTBW-IRXDYDNUSA-N 0 3 368.437 2.527 20 5 FFBDHN CCOc1cc(CN2CCC(N3CCOC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000518995793 516849648 /nfs/dbraw/zinc/84/96/48/516849648.db2.gz IYGUWBZKTBYZSC-OAHLLOKOSA-N 0 3 363.458 2.679 20 5 FFBDHN Cc1ccc(NCc2cccc(C(=O)NCCN(C)C)c2)c([N+](=O)[O-])c1 ZINC000514225746 516911715 /nfs/dbraw/zinc/91/17/15/516911715.db2.gz PHEOXJCTMWAWGV-UHFFFAOYSA-N 0 3 356.426 2.807 20 5 FFBDHN O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000514498713 516933387 /nfs/dbraw/zinc/93/33/87/516933387.db2.gz YTKXMOUMVLCQQO-SFHVURJKSA-N 0 3 353.422 2.918 20 5 FFBDHN COc1ccc(CN(C)C)cc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000525191617 516953558 /nfs/dbraw/zinc/95/35/58/516953558.db2.gz WKJRJLSNYXQIDU-UHFFFAOYSA-N 0 3 372.425 2.740 20 5 FFBDHN CCN(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)c1cccc(OC)c1 ZINC000532397581 516953620 /nfs/dbraw/zinc/95/36/20/516953620.db2.gz WIELCOHQQNNOMJ-SFHVURJKSA-N 0 3 372.425 2.811 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C ZINC000551935163 516970220 /nfs/dbraw/zinc/97/02/20/516970220.db2.gz MAJYEUANLWLJIZ-VVFCZOMOSA-N 0 3 371.441 2.649 20 5 FFBDHN COc1cc(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000525576143 517079018 /nfs/dbraw/zinc/07/90/18/517079018.db2.gz OBQVQIGRKBLSLY-BETUJISGSA-N 0 3 365.430 2.605 20 5 FFBDHN CC[C@H](NC[C@H](N1CCOCC1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000514956324 517143247 /nfs/dbraw/zinc/14/32/47/517143247.db2.gz CNGLEFLHOZKMST-GJZGRUSLSA-N 0 3 361.364 2.899 20 5 FFBDHN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCC(=O)N2 ZINC000552238981 517157028 /nfs/dbraw/zinc/15/70/28/517157028.db2.gz YNPWIOAZSSFNLB-LBPRGKRZSA-N 0 3 357.366 2.655 20 5 FFBDHN CS(=O)(=O)[C@@H]1CCC[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000562603485 517227417 /nfs/dbraw/zinc/22/74/17/517227417.db2.gz LSXVZVLTDZGTGD-YSVLISHTSA-N 0 3 352.456 2.918 20 5 FFBDHN COc1ccc(-c2ccc(CN[C@H](C)CN3CCCC3=O)o2)c([N+](=O)[O-])c1 ZINC000520204995 517299930 /nfs/dbraw/zinc/29/99/30/517299930.db2.gz OQIHFPWNFGIEDT-CYBMUJFWSA-N 0 3 373.409 2.964 20 5 FFBDHN CCc1ccc([C@H](CO)NCCOc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000541980835 517319551 /nfs/dbraw/zinc/31/95/51/517319551.db2.gz HUWLLACVHPNHAX-KRWDZBQOSA-N 0 3 360.410 2.868 20 5 FFBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000520254720 517320532 /nfs/dbraw/zinc/32/05/32/517320532.db2.gz LKQODJOSSFNDBG-GJZGRUSLSA-N 0 3 364.446 2.536 20 5 FFBDHN O=[N+]([O-])c1ccc(CCCCNCCS(=O)(=O)c2ccccc2)cc1 ZINC000516050548 517547103 /nfs/dbraw/zinc/54/71/03/517547103.db2.gz VWPCHMUBMGDKEG-UHFFFAOYSA-N 0 3 362.451 2.981 20 5 FFBDHN Cc1cc(C)cc(OCCNC[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000562987596 517560630 /nfs/dbraw/zinc/56/06/30/517560630.db2.gz YPTHORTWGAADHE-KRWDZBQOSA-N 0 3 360.410 2.620 20 5 FFBDHN COc1ccc(CN(C)C)cc1NC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000527230224 517578430 /nfs/dbraw/zinc/57/84/30/517578430.db2.gz KIUKUMUHFXJTNV-UHFFFAOYSA-N 0 3 359.382 2.926 20 5 FFBDHN Cc1ccc(O[C@H](C)CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000516276581 517646980 /nfs/dbraw/zinc/64/69/80/517646980.db2.gz FGCQJSFPCBXCHT-WBVHZDCISA-N 0 3 360.410 2.700 20 5 FFBDHN Cc1ccccc1[C@H]([C@@H](C)Nc1nccc(C(N)=O)c1[N+](=O)[O-])N(C)C ZINC000516520873 517722055 /nfs/dbraw/zinc/72/20/55/517722055.db2.gz VRAVGXJJVJJRSQ-DOMZBBRYSA-N 0 3 357.414 2.500 20 5 FFBDHN CCN(C(=O)c1[nH]nc(C)c1[N+](=O)[O-])[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000521477128 517747622 /nfs/dbraw/zinc/74/76/22/517747622.db2.gz SDHYWDXZIUJTIZ-ZBFHGGJFSA-N 0 3 371.441 2.924 20 5 FFBDHN CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000521477128 517747629 /nfs/dbraw/zinc/74/76/29/517747629.db2.gz SDHYWDXZIUJTIZ-ZBFHGGJFSA-N 0 3 371.441 2.924 20 5 FFBDHN CCC[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CCN1Cc1ccccc1 ZINC000553622445 517817103 /nfs/dbraw/zinc/81/71/03/517817103.db2.gz WJXCQMZMRMKGSA-QGZVFWFLSA-N 0 3 357.458 2.815 20 5 FFBDHN COCCOC1(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCOCC1 ZINC000516719379 517819824 /nfs/dbraw/zinc/81/98/24/517819824.db2.gz UZWOWCNLRYEVQL-HNNXBMFYSA-N 0 3 352.431 2.766 20 5 FFBDHN COc1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000542962140 517839976 /nfs/dbraw/zinc/83/99/76/517839976.db2.gz OFYQIUGISBLUBJ-INIZCTEOSA-N 0 3 370.409 2.999 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(Cc3cccnc3)CC2)c1 ZINC000538942856 517856756 /nfs/dbraw/zinc/85/67/56/517856756.db2.gz HONJKCSNKSHZAR-LJQANCHMSA-N 0 3 371.437 2.684 20 5 FFBDHN Cc1cc(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)ccc1[N+](=O)[O-] ZINC000560677979 517966638 /nfs/dbraw/zinc/96/66/38/517966638.db2.gz ADNDEVUAYOKRLL-QGZVFWFLSA-N 0 3 355.394 2.722 20 5 FFBDHN COCCSc1ccc([C@@H](C)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000539306384 517984858 /nfs/dbraw/zinc/98/48/58/517984858.db2.gz WSFSNQBYTUAUQZ-CYBMUJFWSA-N 0 3 350.444 2.881 20 5 FFBDHN COc1cc(C[C@@H](CO)CNCc2cccc([N+](=O)[O-])c2)cc(OC)c1 ZINC000530870550 518022585 /nfs/dbraw/zinc/02/25/85/518022585.db2.gz WXOGHNPAMUYFGK-MRXNPFEDSA-N 0 3 360.410 2.553 20 5 FFBDHN CSC1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCN(C)CC1 ZINC000517268417 518099916 /nfs/dbraw/zinc/09/99/16/518099916.db2.gz PKLFQBCQDRDSMB-UHFFFAOYSA-N 0 3 356.423 2.683 20 5 FFBDHN COc1cc(CN(CCN(C)C)Cc2ccccn2)c([N+](=O)[O-])cc1OC ZINC000563842475 518144580 /nfs/dbraw/zinc/14/45/80/518144580.db2.gz OCOFBNWDMXJZIV-UHFFFAOYSA-N 0 3 374.441 2.571 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCCC[C@H]2C2CC2)cc1 ZINC000543598027 518149276 /nfs/dbraw/zinc/14/92/76/518149276.db2.gz OYVAZHDCVGCEIH-IRXDYDNUSA-N 0 3 352.456 2.927 20 5 FFBDHN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000584175259 518214859 /nfs/dbraw/zinc/21/48/59/518214859.db2.gz PRGFOCVRJYDGQU-OAHLLOKOSA-N 0 3 369.425 2.882 20 5 FFBDHN O=C(N[C@H](CO)CN1CCCCC1)c1cc2ccccc2c2cccnc12 ZINC000572636444 518289004 /nfs/dbraw/zinc/28/90/04/518289004.db2.gz LHJJLOCMWHCAMR-KRWDZBQOSA-N 0 3 363.461 2.965 20 5 FFBDHN C[C@H](CNC[C@@H](O)COc1ccccc1[N+](=O)[O-])Oc1ccccc1F ZINC000579103342 518523129 /nfs/dbraw/zinc/52/31/29/518523129.db2.gz JBIKHJPELRSFRY-ZIAGYGMSSA-N 0 3 364.373 2.531 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@H](c2cccc(F)c2)C1 ZINC000564607403 518523345 /nfs/dbraw/zinc/52/33/45/518523345.db2.gz LLXDGBDWBDVREU-RDJZCZTQSA-N 0 3 360.385 2.963 20 5 FFBDHN CCc1ccc(S(=O)(=O)N(C)C2CCN(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000567584037 518599757 /nfs/dbraw/zinc/59/97/57/518599757.db2.gz AIARKOQNDGSDSC-UHFFFAOYSA-N 0 3 369.487 2.651 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](CO)c1ccccc1C ZINC000576485590 518617157 /nfs/dbraw/zinc/61/71/57/518617157.db2.gz MMAFACAUYHFDOM-KRWDZBQOSA-N 0 3 373.409 2.564 20 5 FFBDHN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CN1C1CC1 ZINC000582311532 518692771 /nfs/dbraw/zinc/69/27/71/518692771.db2.gz PCEAFIZSXZNNDI-STQMWFEESA-N 0 3 364.421 2.608 20 5 FFBDHN CC(=O)N1C[C@@H]2CCC[C@@H](NCc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000579519505 518719834 /nfs/dbraw/zinc/71/98/34/518719834.db2.gz MBSKCMFOYHRANX-YSVLISHTSA-N 0 3 351.834 2.985 20 5 FFBDHN CC(=O)N1C[C@@H]2CCC[C@@H](NCc3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000579519501 518719718 /nfs/dbraw/zinc/71/97/18/518719718.db2.gz MBSKCMFOYHRANX-JLJPHGGASA-N 0 3 351.834 2.985 20 5 FFBDHN Cc1ncccc1CN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000589259223 518966817 /nfs/dbraw/zinc/96/68/17/518966817.db2.gz UKAWHPSSOJGBCN-UHFFFAOYSA-N 0 3 366.425 2.887 20 5 FFBDHN CCOc1cccc([C@@H]2C[C@H]2NC[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000565475712 518974963 /nfs/dbraw/zinc/97/49/63/518974963.db2.gz CYLTYBZRVNKMIR-FFZOFVMBSA-N 0 3 372.421 2.879 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@]1(CO)C[C@H]1c1ccccc1)OCCO2 ZINC000589325085 518981389 /nfs/dbraw/zinc/98/13/89/518981389.db2.gz LDTMJKQUXJJEQW-JXFKEZNVSA-N 0 3 370.405 2.622 20 5 FFBDHN CCCCN1CCCC[C@H]1CNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000580357291 519133514 /nfs/dbraw/zinc/13/35/14/519133514.db2.gz AFBYDKFLYDXCEQ-ZDUSSCGKSA-N 0 3 350.419 2.843 20 5 FFBDHN COc1ccc(OCCN2C[C@H](c3cnn(C)c3)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000583213073 519133727 /nfs/dbraw/zinc/13/37/27/519133727.db2.gz YOBYHGQBNQIHTQ-MRXNPFEDSA-N 0 3 374.441 2.841 20 5 FFBDHN CCOc1cc(CN[C@H]2CCCC[C@@H]2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000574512858 519190251 /nfs/dbraw/zinc/19/02/51/519190251.db2.gz NYAVZEGJECASQI-IRXDYDNUSA-N 0 3 363.458 2.727 20 5 FFBDHN CNc1c(C(=O)N(C)CCCN(C)Cc2ccncc2)cccc1[N+](=O)[O-] ZINC000583326601 519190501 /nfs/dbraw/zinc/19/05/01/519190501.db2.gz GNMNCYQLBIKMSM-UHFFFAOYSA-N 0 3 371.441 2.626 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCCOC1CCCCCC1 ZINC000571790431 519276717 /nfs/dbraw/zinc/27/67/17/519276717.db2.gz NNHJALKYLGJFAN-OAHLLOKOSA-N 0 3 352.431 2.664 20 5 FFBDHN CC(C)[C@H]1C[C@@H](CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000590658521 519305270 /nfs/dbraw/zinc/30/52/70/519305270.db2.gz PBKRWXHJTUKXEY-XJKSGUPXSA-N 0 3 350.415 2.907 20 5 FFBDHN CCn1c(C)nc([N+](=O)[O-])c1NCCc1ccc(OCCN(C)C)cc1 ZINC000574745708 519309977 /nfs/dbraw/zinc/30/99/77/519309977.db2.gz NBKODJBPEGPYOY-UHFFFAOYSA-N 0 3 361.446 2.715 20 5 FFBDHN CC[C@H](C)N[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000583653868 519360466 /nfs/dbraw/zinc/36/04/66/519360466.db2.gz NZXKMVRGDLHWLE-XJKSGUPXSA-N 0 3 361.398 2.812 20 5 FFBDHN COC(=O)COc1ccc(CN2CC[C@@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000566247893 519392852 /nfs/dbraw/zinc/39/28/52/519392852.db2.gz ZBEDWDRUEQGVQI-MRXNPFEDSA-N 0 3 371.393 2.531 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCc2ccccc2[C@@H]1CN ZINC000569246109 519452866 /nfs/dbraw/zinc/45/28/66/519452866.db2.gz UUXHTTQCNSRXCB-IBGZPJMESA-N 0 3 368.437 2.790 20 5 FFBDHN COc1ccc(OCCN[C@@H](CO)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000583831694 519456377 /nfs/dbraw/zinc/45/63/77/519456377.db2.gz AXBRCYKBIIIQRI-HNNXBMFYSA-N 0 3 366.801 2.959 20 5 FFBDHN CC1(C)CC[C@@H](CN2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)O1 ZINC000591028426 519484027 /nfs/dbraw/zinc/48/40/27/519484027.db2.gz RBCHEZJDMPKLGS-HNNXBMFYSA-N 0 3 373.457 2.941 20 5 FFBDHN COc1cc(C(=O)N2CCCN(CC3CCC3)CC2)cc([N+](=O)[O-])c1C ZINC000572190954 519487091 /nfs/dbraw/zinc/48/70/91/519487091.db2.gz WVTMECJBNUVSEZ-UHFFFAOYSA-N 0 3 361.442 2.860 20 5 FFBDHN COC(=O)COc1ccc(CN[C@@H]2CCc3cc(N)ccc32)cc1[N+](=O)[O-] ZINC000566489995 519519141 /nfs/dbraw/zinc/51/91/41/519519141.db2.gz BJWIOVADVIZLNI-MRXNPFEDSA-N 0 3 371.393 2.506 20 5 FFBDHN Cc1ccc(CC[C@@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000575174893 519540176 /nfs/dbraw/zinc/54/01/76/519540176.db2.gz XYMOXRPZWHNORZ-CYBMUJFWSA-N 0 3 366.439 2.881 20 5 FFBDHN COc1cnccc1N1CCN(c2cc([N+](=O)[O-])ccc2C(C)=O)CC1 ZINC000578358844 519552896 /nfs/dbraw/zinc/55/28/96/519552896.db2.gz MYEWLYJNQZIORV-UHFFFAOYSA-N 0 3 356.382 2.528 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](c1ccccc1)C1(CO)CC=CC1 ZINC000602851305 519924395 /nfs/dbraw/zinc/92/43/95/519924395.db2.gz VLLVMLASLWAYBF-SFHVURJKSA-N 0 3 356.426 2.759 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC2(CCSCC2)CC1 ZINC000602948595 519989468 /nfs/dbraw/zinc/98/94/68/519989468.db2.gz BCERHZISKNTKOB-HNNXBMFYSA-N 0 3 366.483 2.944 20 5 FFBDHN COc1cncc(/C=C\CCN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC000602963323 519996200 /nfs/dbraw/zinc/99/62/00/519996200.db2.gz VICQMDZRDWPCEA-WSGSOLELSA-N 0 3 357.410 2.899 20 5 FFBDHN Cc1cc(S(=O)(=O)NC[C@@H]2CCN(C(C)(C)C)C2)c(C)cc1[N+](=O)[O-] ZINC000594787690 520158840 /nfs/dbraw/zinc/15/88/40/520158840.db2.gz CDPHQBBYBHOESV-AWEZNQCLSA-N 0 3 369.487 2.610 20 5 FFBDHN COC[C@@H](CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)OC ZINC000594955282 520227879 /nfs/dbraw/zinc/22/78/79/520227879.db2.gz MLRJWXVKKUNLRG-OAHLLOKOSA-N 0 3 351.428 2.859 20 5 FFBDHN CC(C)[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)C1(CO)CC=CC1 ZINC000592179427 520249885 /nfs/dbraw/zinc/24/98/85/520249885.db2.gz QJEMLUJEABMPFL-GOSISDBHSA-N 0 3 362.426 2.904 20 5 FFBDHN CC1(C)[C@H]2CCC[C@H]2[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595032259 520263764 /nfs/dbraw/zinc/26/37/64/520263764.db2.gz LTVLGGFOXBYZCI-PMPSAXMXSA-N 0 3 352.456 2.783 20 5 FFBDHN O=C(NC[C@@H]1CCN1C1CCCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000600469593 520278767 /nfs/dbraw/zinc/27/87/67/520278767.db2.gz CKVQCKBUGLSIKI-ZDUSSCGKSA-N 0 3 369.368 2.943 20 5 FFBDHN CC(C)(C)N1CC[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000597921874 520324675 /nfs/dbraw/zinc/32/46/75/520324675.db2.gz HFSHBUNNHKDCHN-LLVKDONJSA-N 0 3 357.357 2.799 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@](C)(CO)c1ccccc1 ZINC000609483906 520327308 /nfs/dbraw/zinc/32/73/08/520327308.db2.gz PUJNASOXFMSUSK-LJQANCHMSA-N 0 3 357.410 2.729 20 5 FFBDHN CC(C)N1CC[C@@H](CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000609560653 520358527 /nfs/dbraw/zinc/35/85/27/520358527.db2.gz DVNUHFMQZVPZKD-AWEZNQCLSA-N 0 3 371.441 2.702 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000598062201 520405058 /nfs/dbraw/zinc/40/50/58/520405058.db2.gz NZOMIVLMJCMECL-UHFFFAOYSA-N 0 3 368.437 2.940 20 5 FFBDHN C[C@H]1CN(CCN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C)O1 ZINC000595331951 520412631 /nfs/dbraw/zinc/41/26/31/520412631.db2.gz ZMVOZCSOMPNJSW-HOTGVXAUSA-N 0 3 363.458 2.547 20 5 FFBDHN CN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000609724568 520414734 /nfs/dbraw/zinc/41/47/34/520414734.db2.gz ARGNINDFBWCDGA-CQSZACIVSA-N 0 3 367.833 2.712 20 5 FFBDHN CNC(=O)[C@@]1(C(F)(F)F)CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000592525605 520439086 /nfs/dbraw/zinc/43/90/86/520439086.db2.gz AUBDQKHSCBLPBM-IYCSXQJISA-N 0 3 371.359 2.999 20 5 FFBDHN CC[C@H](CN1CCCC1)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000609833825 520449626 /nfs/dbraw/zinc/44/96/26/520449626.db2.gz XIBXZJWNJWYTDU-MRXNPFEDSA-N 0 3 360.458 2.799 20 5 FFBDHN COc1ccc(CNC(=O)NC[C@@H](C)N2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000604105761 520452340 /nfs/dbraw/zinc/45/23/40/520452340.db2.gz XQARYGNLMCUFGU-UONOGXRCSA-N 0 3 364.446 2.523 20 5 FFBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000598261414 520525239 /nfs/dbraw/zinc/52/52/39/520525239.db2.gz FFLOQQKCXAPKAV-OAHLLOKOSA-N 0 3 371.441 2.631 20 5 FFBDHN CCCN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)[C@H]1CCN(C)C1 ZINC000592828866 520605338 /nfs/dbraw/zinc/60/53/38/520605338.db2.gz KIKGJJUTUZZCRD-HNNXBMFYSA-N 0 3 357.414 2.541 20 5 FFBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000595637864 520614767 /nfs/dbraw/zinc/61/47/67/520614767.db2.gz YHXWIMKBHPTTEV-ZIEJDFEHSA-N 0 3 358.398 2.799 20 5 FFBDHN CN(C)CCn1cc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cn1 ZINC000610291738 520624946 /nfs/dbraw/zinc/62/49/46/520624946.db2.gz ADCKYDLRZBKORA-UHFFFAOYSA-N 0 3 371.319 2.624 20 5 FFBDHN CC(C)(C)N1CC[C@H]1CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000595665957 520633681 /nfs/dbraw/zinc/63/36/81/520633681.db2.gz ZBLOKADGQHDWLD-HNNXBMFYSA-N 0 3 373.457 2.791 20 5 FFBDHN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C[C@H](C)N1 ZINC000598530992 520684366 /nfs/dbraw/zinc/68/43/66/520684366.db2.gz CSMJEHNKKGIAEQ-GXSJLCMTSA-N 0 3 370.247 2.878 20 5 FFBDHN O=[N+]([O-])c1cnn(CCN(Cc2ccc3c(c2)OCO3)C2CCCC2)c1 ZINC000610447481 520691036 /nfs/dbraw/zinc/69/10/36/520691036.db2.gz ATVOQQIOEJEXCS-UHFFFAOYSA-N 0 3 358.398 2.965 20 5 FFBDHN COC(=O)c1ccnc(N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000598589925 520730735 /nfs/dbraw/zinc/73/07/35/520730735.db2.gz VQQZAWLRSGNCNR-RWMBFGLXSA-N 0 3 350.419 2.555 20 5 FFBDHN COc1ccc(NC(=O)CCN2CC[C@]3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC000593119232 520757886 /nfs/dbraw/zinc/75/78/86/520757886.db2.gz VUEHGGGKGWKFTF-HNNXBMFYSA-N 0 3 355.341 2.663 20 5 FFBDHN CN(C(=O)C(C[C@@H]1COCCO1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000598802369 520849716 /nfs/dbraw/zinc/84/97/16/520849716.db2.gz CKVNXMMZKOMAMF-CHWSQXEVSA-N 0 3 362.304 2.542 20 5 FFBDHN CCN1CCN(CCNc2cc(C)c([N+](=O)[O-])cc2Br)CC1 ZINC000596073953 520895878 /nfs/dbraw/zinc/89/58/78/520895878.db2.gz OUGJWHZTPFSLCS-UHFFFAOYSA-N 0 3 371.279 2.715 20 5 FFBDHN O=[N+]([O-])c1ccc2[nH]c(CN3CC[C@H]4[C@@H](CCCN4C4CC4)C3)nc2c1 ZINC000618288441 520982732 /nfs/dbraw/zinc/98/27/32/520982732.db2.gz PURCUXIFKJLTOG-UGSOOPFHSA-N 0 3 355.442 2.920 20 5 FFBDHN C[C@H]1CCCN(CCNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599072943 521016286 /nfs/dbraw/zinc/01/62/86/521016286.db2.gz LVRIDENDNMQZDI-NSHDSACASA-N 0 3 370.247 2.819 20 5 FFBDHN O=[N+]([O-])c1cnc(NCc2ccc(CN3CC[C@H](O)C3)cc2)c(Cl)c1 ZINC000596423727 521063415 /nfs/dbraw/zinc/06/34/15/521063415.db2.gz OORYDRCPOFEEFQ-HNNXBMFYSA-N 0 3 362.817 2.822 20 5 FFBDHN Cn1cc(CN2CCC(C3(O)CC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000593648314 521129886 /nfs/dbraw/zinc/12/98/86/521129886.db2.gz WIYSABCYEGQOAA-UHFFFAOYSA-N 0 3 356.426 2.732 20 5 FFBDHN COc1cc(CNC[C@@]2(CO)CCc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000593653149 521133335 /nfs/dbraw/zinc/13/33/35/521133335.db2.gz UTYLFILFIDSFJA-HXUWFJFHSA-N 0 3 372.421 2.578 20 5 FFBDHN C[C@H](CCO)C1(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCC1 ZINC000611443463 521161422 /nfs/dbraw/zinc/16/14/22/521161422.db2.gz VSXHFIBSOGWBPO-CYBMUJFWSA-N 0 3 350.415 2.644 20 5 FFBDHN CN(CCN1CCCCC1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000593882467 521271046 /nfs/dbraw/zinc/27/10/46/521271046.db2.gz IKQSFIRQIUCQLK-UHFFFAOYSA-N 0 3 360.458 2.753 20 5 FFBDHN C[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)N1CCc2ccccc2C1 ZINC000611703508 521288168 /nfs/dbraw/zinc/28/81/68/521288168.db2.gz UAAHNTDKUCNECF-AWEZNQCLSA-N 0 3 363.421 2.819 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])CCN1C ZINC000599576169 521307579 /nfs/dbraw/zinc/30/75/79/521307579.db2.gz KFDHMAMJDJGIBN-ZJUUUORDSA-N 0 3 356.220 2.570 20 5 FFBDHN CN(C)C[C@H](Cc1ccccc1)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602517415 521389514 /nfs/dbraw/zinc/38/95/14/521389514.db2.gz BHCAUDWNTPMPFU-HNNXBMFYSA-N 0 3 354.410 2.999 20 5 FFBDHN CC(C)Oc1ccc(CNC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cn1 ZINC000602517358 521390667 /nfs/dbraw/zinc/39/06/67/521390667.db2.gz ZLJBHFOYSDXDAY-UHFFFAOYSA-N 0 3 371.441 2.931 20 5 FFBDHN O=[N+]([O-])c1sc(CN[C@@H]2CCc3n[nH]cc3C2)cc1Br ZINC000602552666 521407913 /nfs/dbraw/zinc/40/79/13/521407913.db2.gz OZAWKWQUKICSEK-MRVPVSSYSA-N 0 3 357.233 2.789 20 5 FFBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOc2ccc(CN)cc21 ZINC000602576142 521419886 /nfs/dbraw/zinc/41/98/86/521419886.db2.gz NCDHMXPDLDLNHQ-GFCCVEGCSA-N 0 3 373.434 2.960 20 5 FFBDHN CN(C)CC1CN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000615504869 521423672 /nfs/dbraw/zinc/42/36/72/521423672.db2.gz JLTJAMXEKQMSHN-UHFFFAOYSA-N 0 3 371.387 2.593 20 5 FFBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594195335 521461630 /nfs/dbraw/zinc/46/16/30/521461630.db2.gz FWGHRDIXEQXOAH-MSOLQXFVSA-N 0 3 356.426 2.752 20 5 FFBDHN O=[N+]([O-])c1cc(CNC[C@H]2CNc3ccnn3C2)cc(C(F)(F)F)c1 ZINC000619264495 521480349 /nfs/dbraw/zinc/48/03/49/521480349.db2.gz GYZLLIILTRDOAZ-NSHDSACASA-N 0 3 355.320 2.642 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3COCc4ccccc43)CC2)cn1 ZINC000602694826 521483064 /nfs/dbraw/zinc/48/30/64/521483064.db2.gz KKWJNCXIYZUJEX-GOSISDBHSA-N 0 3 354.410 2.820 20 5 FFBDHN CON1CCC(NCc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602700227 521485048 /nfs/dbraw/zinc/48/50/48/521485048.db2.gz UFXSYMSWZORBRF-UHFFFAOYSA-N 0 3 350.238 2.534 20 5 FFBDHN C[C@H]1C[C@@H](N(C)C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CCN1C ZINC000597103915 521509695 /nfs/dbraw/zinc/50/96/95/521509695.db2.gz MQUMWIRNVRHAFU-ONGXEEELSA-N 0 3 355.826 2.777 20 5 FFBDHN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCN(CC2CC2)C1 ZINC000612286013 521561037 /nfs/dbraw/zinc/56/10/37/521561037.db2.gz URCBRCZYDQLGIN-CYBMUJFWSA-N 0 3 369.874 2.941 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826293310 608280148 /nfs/dbraw/zinc/28/01/48/608280148.db2.gz KSLBGLVSGMKNJH-CYBMUJFWSA-N 0 3 368.397 2.813 20 5 FFBDHN C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000824598301 608465168 /nfs/dbraw/zinc/46/51/68/608465168.db2.gz DMOHZWPWSUPLFM-GFCCVEGCSA-N 0 3 354.370 2.505 20 5 FFBDHN C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000824598301 608465170 /nfs/dbraw/zinc/46/51/70/608465170.db2.gz DMOHZWPWSUPLFM-GFCCVEGCSA-N 0 3 354.370 2.505 20 5 FFBDHN Cc1ccc([C@H](C)[NH2+]CCOc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826283141 608554177 /nfs/dbraw/zinc/55/41/77/608554177.db2.gz LKZAGNZMXFTRIX-ZDUSSCGKSA-N 0 3 368.397 2.813 20 5 FFBDHN Cc1ccc([C@H](C)[NH2+]CCOc2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826283141 608554179 /nfs/dbraw/zinc/55/41/79/608554179.db2.gz LKZAGNZMXFTRIX-ZDUSSCGKSA-N 0 3 368.397 2.813 20 5 FFBDHN CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCC(CO)CC1 ZINC000156261426 728846694 /nfs/dbraw/zinc/84/66/94/728846694.db2.gz LVLYHWQGQIOCOP-UHFFFAOYSA-N 0 3 355.822 2.670 20 5 FFBDHN CCCN(CCN(C)C)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000159097752 728900553 /nfs/dbraw/zinc/90/05/53/728900553.db2.gz BCUUYLGKFNDHPL-UHFFFAOYSA-N 0 3 358.236 2.771 20 5 FFBDHN C[C@H](CN(C)CCOc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000860098749 730476130 /nfs/dbraw/zinc/47/61/30/730476130.db2.gz QIOJYPVACJVFIQ-CYBMUJFWSA-N 0 3 353.419 2.819 20 5 FFBDHN CS[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@@H]1N1CCCC1 ZINC000860788837 730547470 /nfs/dbraw/zinc/54/74/70/730547470.db2.gz VJZPPTBYDXMMHN-KBPBESRZSA-N 0 3 369.874 2.900 20 5 FFBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000874830732 732104682 /nfs/dbraw/zinc/10/46/82/732104682.db2.gz SSOOZDBWODIGQO-UONOGXRCSA-N 0 3 355.797 2.625 20 5 FFBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000874839386 732106241 /nfs/dbraw/zinc/10/62/41/732106241.db2.gz VUGGBBUYMZQSCG-UONOGXRCSA-N 0 3 368.231 2.666 20 5 FFBDHN CC(C)[C@@H](C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])N(C)C ZINC000881863574 733122468 /nfs/dbraw/zinc/12/24/68/733122468.db2.gz BWXULCSXQWKDIH-ZDUSSCGKSA-N 0 3 358.236 2.560 20 5 FFBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCC[C@H]1CCCS1(=O)=O ZINC000883309863 733367002 /nfs/dbraw/zinc/36/70/02/733367002.db2.gz WCKBJXLNDXDOTE-WCQYABFASA-N 0 3 358.485 2.935 20 5 FFBDHN C[C@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1cncc(F)c1 ZINC000782531169 738731134 /nfs/dbraw/zinc/73/11/34/738731134.db2.gz RIJFRVDWGBKTBF-JTQLQIEISA-N 0 3 350.325 2.947 20 5 FFBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000894048513 734793118 /nfs/dbraw/zinc/79/31/18/734793118.db2.gz ZGGTVGPRGYJEQO-CABCVRRESA-N 0 3 366.849 2.669 20 5 FFBDHN O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000734242410 734884994 /nfs/dbraw/zinc/88/49/94/734884994.db2.gz DRCSSXHAWWXUGU-CQSZACIVSA-N 0 3 367.833 2.621 20 5 FFBDHN CC[C@H](COCC(F)(F)F)NCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894666005 734897949 /nfs/dbraw/zinc/89/79/49/734897949.db2.gz DPFUVXDGOUZZNA-SNVBAGLBSA-N 0 3 352.309 2.756 20 5 FFBDHN O=[N+]([O-])c1ccccc1CNCC1(OCCO)CCC(C(F)F)CC1 ZINC000897539764 735244303 /nfs/dbraw/zinc/24/43/03/735244303.db2.gz SCIVGISPEDEYDC-UHFFFAOYSA-N 0 3 358.385 2.887 20 5 FFBDHN COc1cc([C@@H](C)NC[C@@H]2CCC3(CCOCC3)O2)cc([N+](=O)[O-])c1 ZINC000903226708 736060019 /nfs/dbraw/zinc/06/00/19/736060019.db2.gz MGOQTDBXWRNICK-CJNGLKHVSA-N 0 3 350.415 2.982 20 5 FFBDHN C[C@H]1CN(CCCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000754613917 736179938 /nfs/dbraw/zinc/17/99/38/736179938.db2.gz KQDJJGADFFBKSS-STQMWFEESA-N 0 3 352.391 2.804 20 5 FFBDHN C[C@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)C1=CCN(C)CC1 ZINC000907281270 736606116 /nfs/dbraw/zinc/60/61/16/736606116.db2.gz HNMUHILGMFTTNO-LBPRGKRZSA-N 0 3 351.834 2.947 20 5 FFBDHN COCC[C@@]1(NCc2ccc(Br)c([N+](=O)[O-])c2)CCOC1 ZINC000775034997 738055521 /nfs/dbraw/zinc/05/55/21/738055521.db2.gz WFPZUBBSGJEUDB-CQSZACIVSA-N 0 3 359.220 2.643 20 5 FFBDHN O=C(CN[C@@H]1CCOC12CCCC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000934393345 739780459 /nfs/dbraw/zinc/78/04/59/739780459.db2.gz SURFNLZOJFZUGY-CQSZACIVSA-N 0 3 353.806 2.878 20 5 FFBDHN CS[C@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000804622366 740889877 /nfs/dbraw/zinc/88/98/77/740889877.db2.gz CMIKXFHFUMPQPD-KGLIPLIRSA-N 0 3 352.416 2.519 20 5 FFBDHN CCn1c(SCC(=O)OCC(C)[N+](=O)[O-])nnc1-c1cccc(C)c1 ZINC000813106252 741677438 /nfs/dbraw/zinc/67/74/38/741677438.db2.gz BLIDMECTMGXYEG-GFCCVEGCSA-N 0 3 364.427 2.574 20 5 FFBDHN CC(COC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)[N+](=O)[O-] ZINC000813108698 741677736 /nfs/dbraw/zinc/67/77/36/741677736.db2.gz KGLDHEXNRGCOHV-DTWKUNHWSA-N 0 3 361.181 2.555 20 5 FFBDHN CC(COC(=O)c1ccc(I)c(Cl)c1)[N+](=O)[O-] ZINC000813112680 741678207 /nfs/dbraw/zinc/67/82/07/741678207.db2.gz SVIMDDRXKMMFPF-LURJTMIESA-N 0 3 369.542 2.767 20 5 FFBDHN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813113250 741678277 /nfs/dbraw/zinc/67/82/77/741678277.db2.gz OTFKNVJJXSHNEE-VIFPVBQESA-N 0 3 368.187 2.765 20 5 FFBDHN C[C@]1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1(Cl)Cl ZINC000819346970 742379446 /nfs/dbraw/zinc/37/94/46/742379446.db2.gz IULPEPZREMZGHJ-GFCCVEGCSA-N 0 3 367.254 2.542 20 5 FFBDHN CCN1CCCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)[C@H](C)C1 ZINC000822568948 742753442 /nfs/dbraw/zinc/75/34/42/742753442.db2.gz KPVZKCRJEUULDX-SECBINFHSA-N 0 3 358.801 2.526 20 5 FFBDHN Cn1nccc1[C@@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000825046822 743200980 /nfs/dbraw/zinc/20/09/80/743200980.db2.gz YGWALANRRUUZDW-WBMJQRKESA-N 0 3 350.806 2.992 20 5 FFBDHN Cc1cc(Cl)c(C(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000826928590 743472442 /nfs/dbraw/zinc/47/24/42/743472442.db2.gz GZYLAXYODPNJTD-CYBMUJFWSA-N 0 3 367.833 2.540 20 5 FFBDHN CC(C)(C)OC(=O)[C@@]1(C)CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000839105066 746775895 /nfs/dbraw/zinc/77/58/95/746775895.db2.gz OEICIYCKWSHDSF-QAPCUYQASA-N 0 3 350.415 2.682 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(C(=O)Nc2ccnn2CCN(C)C)cc1Cl ZINC000839392252 746821527 /nfs/dbraw/zinc/82/15/27/746821527.db2.gz FLVSVMKGOLGVGZ-UHFFFAOYSA-N 0 3 351.794 2.567 20 5 FFBDHN C[C@@H]1CN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000841160656 747283727 /nfs/dbraw/zinc/28/37/27/747283727.db2.gz DBRMCGALIGRFQF-BDAKNGLRSA-N 0 3 357.208 2.571 20 5 FFBDHN Cc1sc(=O)n(CC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c1C ZINC000845873420 748340688 /nfs/dbraw/zinc/34/06/88/748340688.db2.gz DCICXCMEYKCUIJ-MEBBXXQBSA-N 0 3 368.386 2.615 20 5 FFBDHN CC([C@H](OC(=O)c1ccc([N+](=O)[O-])n1C)c1ccccc1F)[N+](=O)[O-] ZINC000845874797 748341274 /nfs/dbraw/zinc/34/12/74/748341274.db2.gz KBNDLHJOQCKOSN-OTYXRUKQSA-N 0 3 351.290 2.636 20 5 FFBDHN COCc1ncc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])s1 ZINC000845883779 748345060 /nfs/dbraw/zinc/34/50/60/748345060.db2.gz VXTSAXDWKAGQMC-LKFCYVNXSA-N 0 3 354.359 2.992 20 5 FFBDHN O=[N+]([O-])c1ccc(CN2CCC[C@@H](N3CCOCC3)CC2)cc1Cl ZINC000848929859 749037543 /nfs/dbraw/zinc/03/75/43/749037543.db2.gz KKHKDVACUMRDQK-OAHLLOKOSA-N 0 3 353.850 2.935 20 5 FFBDHN O=[N+]([O-])c1ccc(Cl)cc1CN[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000850396179 749359522 /nfs/dbraw/zinc/35/95/22/749359522.db2.gz RCGPJZISLRXYDC-IAGOWNOFSA-N 0 3 365.861 2.981 20 5 FFBDHN CCOc1ccc([C@H](C)NCC[S@@](=O)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000850495382 749375640 /nfs/dbraw/zinc/37/56/40/749375640.db2.gz CQXSWUIHYOFJMZ-CCGUKBGLSA-N 0 3 368.377 2.955 20 5 FFBDHN CC(COC(=O)c1cc(Br)cc(N2CCCC2)c1)[N+](=O)[O-] ZINC000851037662 749490976 /nfs/dbraw/zinc/49/09/76/749490976.db2.gz ZCMZTYJFONKUOX-JTQLQIEISA-N 0 3 357.204 2.871 20 5 FFBDHN CCOC(=O)[C@@H]1CC[C@H](C)N(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000852204662 749802576 /nfs/dbraw/zinc/80/25/76/749802576.db2.gz UVHCWENKUNGRBX-IXKJSCDLSA-N 0 3 350.415 2.680 20 5 FFBDHN C[C@H](Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)[C@H]1CN(C)CCN1C ZINC000895246131 968758716 /nfs/dbraw/zinc/75/87/16/968758716.db2.gz LRGZWYRJFHRBQU-SUMWQHHRSA-N 0 3 373.432 2.842 20 5 FFBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000874828469 1013910199 /nfs/dbraw/zinc/91/01/99/1013910199.db2.gz GZEHSYMZCCZGIV-IRXDYDNUSA-N 0 3 366.421 2.966 20 5 FFBDHN COc1c(O)ccc(CNC[C@@H]2CCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000895469735 970653742 /nfs/dbraw/zinc/65/37/42/970653742.db2.gz RBVIQHCEXLZMJC-INIZCTEOSA-N 0 3 357.410 2.673 20 5 FFBDHN Cc1noc(C[C@@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)n1 ZINC000759932888 975340844 /nfs/dbraw/zinc/34/08/44/975340844.db2.gz XHUJPIPRCBUHRC-MSOLQXFVSA-N 0 3 368.393 2.893 20 5 FFBDHN CCCCNC(=O)C1(NC[C@H](O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000178872237 978256404 /nfs/dbraw/zinc/25/64/04/978256404.db2.gz OHFWNCKKZUWAIB-KRWDZBQOSA-N 0 3 363.458 2.837 20 5 FFBDHN COC(=O)c1cc2n(n1)CCC[C@@H]2NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000897984600 982581501 /nfs/dbraw/zinc/58/15/01/982581501.db2.gz BKESHMSGCCRIOA-ZBKLQPJUSA-N 0 3 356.382 2.716 20 5 FFBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCc2nnc3ccccn32)c1 ZINC000131313687 985057791 /nfs/dbraw/zinc/05/77/91/985057791.db2.gz SSEZTSIOFZHHTI-UHFFFAOYSA-N 0 3 363.324 2.571 20 5 FFBDHN O=C(Cc1ccc([N+](=O)[O-])cc1F)NCCCN1CCc2ccccc2C1 ZINC000129962877 985146827 /nfs/dbraw/zinc/14/68/27/985146827.db2.gz OOJXNSBMAUTCDZ-UHFFFAOYSA-N 0 3 371.412 2.841 20 5 FFBDHN COc1cccc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000194881051 990621386 /nfs/dbraw/zinc/62/13/86/990621386.db2.gz DQQMDZWZZPSJDO-PBHICJAKSA-N 0 3 369.421 2.854 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@](CO)(Cc3ccccc3)C2)cc1 ZINC000812874000 995556750 /nfs/dbraw/zinc/55/67/50/995556750.db2.gz RQAZNMYHUNGVQI-SFTDATJTSA-N 0 3 370.449 2.945 20 5 FFBDHN CCN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CC(C)(C)C ZINC000812892306 995572666 /nfs/dbraw/zinc/57/26/66/995572666.db2.gz FMGUQFREANZDPC-UHFFFAOYSA-N 0 3 362.474 2.611 20 5 FFBDHN CC(COC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)[N+](=O)[O-] ZINC000813103950 995614723 /nfs/dbraw/zinc/61/47/23/995614723.db2.gz VEMLHIIVAISSNB-SJKOYZFVSA-N 0 3 355.346 2.963 20 5 FFBDHN CC(COC(=O)[C@H]1CCCC[C@H]1C(=O)N1c2ccccc2C[C@H]1C)[N+](=O)[O-] ZINC000813110501 995625200 /nfs/dbraw/zinc/62/52/00/995625200.db2.gz BZTHALNIOUJWTA-WTTBNOFXSA-N 0 3 374.437 2.979 20 5 FFBDHN Cc1cccc(CN2Cc3ccc(CNC(=O)[C@@H]4CC4[N+](=O)[O-])cc3C2)c1 ZINC001054264719 1015995777 /nfs/dbraw/zinc/99/57/77/1015995777.db2.gz QMXOOCIFICICQG-WOJBJXKFSA-N 0 3 365.433 2.792 20 5 FFBDHN O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823990006 996772882 /nfs/dbraw/zinc/77/28/82/996772882.db2.gz GAUQQLSNMNVWAT-MOPGFXCFSA-N 0 3 369.421 2.582 20 5 FFBDHN O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)C1CCN(C2CC2)CC1 ZINC000805923513 997743689 /nfs/dbraw/zinc/74/36/89/997743689.db2.gz KTPUTYJEOBALEH-GOSISDBHSA-N 0 3 359.426 2.591 20 5 FFBDHN COc1ccc(C2CCN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000844351326 997820231 /nfs/dbraw/zinc/82/02/31/997820231.db2.gz NIMRDXUBHVEKTE-IBGZPJMESA-N 0 3 357.410 2.911 20 5 FFBDHN COc1cc2c(cc1CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1)O[C@H](C)C2 ZINC000731678717 998143523 /nfs/dbraw/zinc/14/35/23/998143523.db2.gz ONTXIOMBXRQUCY-SJKOYZFVSA-N 0 3 358.394 2.750 20 5 FFBDHN CC(C)(C)N1CC[C@@H]1COC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000845735771 998643208 /nfs/dbraw/zinc/64/32/08/998643208.db2.gz OPAKTNOENKTFKX-OAHLLOKOSA-N 0 3 358.398 2.810 20 5 FFBDHN COCCn1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c(C)n1 ZINC000845874247 998676962 /nfs/dbraw/zinc/67/69/62/998676962.db2.gz GMPPZTUARSJAEG-MLGOLLRUSA-N 0 3 365.361 2.540 20 5 FFBDHN CC([C@@H](OC(=O)c1cc(OC(F)F)n(C)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845872882 998677027 /nfs/dbraw/zinc/67/70/27/998677027.db2.gz AMAOSASMUBCVKG-AMIZOPFISA-N 0 3 373.287 2.724 20 5 FFBDHN CC([C@H](OC(=O)[C@@H](C)NC(=O)OC(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845875113 998677114 /nfs/dbraw/zinc/67/71/14/998677114.db2.gz LOIILMJYMYKPFJ-SUNKGSAMSA-N 0 3 370.377 2.988 20 5 FFBDHN CC([C@@H](OC(=O)CCc1ccc(C(N)=O)cc1)c1ccccc1F)[N+](=O)[O-] ZINC000845877695 998677172 /nfs/dbraw/zinc/67/71/72/998677172.db2.gz GCNHWZZZJCVDDU-KZULUSFZSA-N 0 3 374.368 2.807 20 5 FFBDHN CCC(=O)N1CCC[C@H](C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])C1 ZINC000845875921 998677227 /nfs/dbraw/zinc/67/72/27/998677227.db2.gz OFHPSIKWCNKCTR-DCGLDWPTSA-N 0 3 366.389 2.724 20 5 FFBDHN CC([C@@H](OC(=O)[C@H]1CCCc2nn(C)cc21)c1ccccc1F)[N+](=O)[O-] ZINC000845880021 998677935 /nfs/dbraw/zinc/67/79/35/998677935.db2.gz JYMGZNRNSKZAPR-BWACUDIHSA-N 0 3 361.373 2.929 20 5 FFBDHN CC([C@@H](OC(=O)Cc1cn2c(n1)CCCC2)c1ccccc1F)[N+](=O)[O-] ZINC000845882034 998678447 /nfs/dbraw/zinc/67/84/47/998678447.db2.gz QIDBNWCGDPOWPM-KPZWWZAWSA-N 0 3 361.373 2.851 20 5 FFBDHN C[C@@H]1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)C1 ZINC000744798034 999876160 /nfs/dbraw/zinc/87/61/60/999876160.db2.gz FIOHOQHGTRZRPD-MRXNPFEDSA-N 0 3 374.485 2.903 20 5 FFBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCO[C@]3(CCCN(c4ccccc4)C3)C2)C1 ZINC001169023979 1000017972 /nfs/dbraw/zinc/01/79/72/1000017972.db2.gz WHIDRJRIFODCBI-HOJAQTOUSA-N 0 3 359.470 2.803 20 5 FFBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(CCN(C)C)Cc1ccccn1 ZINC001144800844 1000287945 /nfs/dbraw/zinc/28/79/45/1000287945.db2.gz MLIWVVGZAZHHPD-UHFFFAOYSA-N 0 3 360.389 2.641 20 5 FFBDHN COc1ccc(C[C@@H](C)NCC(=O)Nc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001170325960 1003113003 /nfs/dbraw/zinc/11/30/03/1003113003.db2.gz ZCMFSKVIAJKLIO-GFCCVEGCSA-N 0 3 361.373 2.902 20 5 FFBDHN COc1ccc(C[C@@H](C)N2CC[C@H](Oc3ncc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC001170355633 1003123230 /nfs/dbraw/zinc/12/32/30/1003123230.db2.gz NGOOEWSNYDSDCH-PBHICJAKSA-N 0 3 372.425 2.786 20 5 FFBDHN COC(=O)[C@H]1CC[C@@H](C)N([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170348021 1003133944 /nfs/dbraw/zinc/13/39/44/1003133944.db2.gz UUYHXSMASAVHFH-NFAWXSAZSA-N 0 3 350.415 2.808 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(O)(Cc3ccc(F)cc3)CC2)cc1 ZINC000775742399 1003936627 /nfs/dbraw/zinc/93/66/27/1003936627.db2.gz SYLLOESJQKMBQD-IBGZPJMESA-N 0 3 374.412 2.837 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@]1(C)CN2CCC1CC2 ZINC001130798606 1004478440 /nfs/dbraw/zinc/47/84/40/1004478440.db2.gz HOYHPPQLZSLMNC-APPDUMDISA-N 0 3 367.833 2.616 20 5 FFBDHN CC(COC(=O)c1cccc2c1CCN(C(=O)OC(C)(C)C)C2)[N+](=O)[O-] ZINC000851036929 1005858180 /nfs/dbraw/zinc/85/81/80/1005858180.db2.gz NUNCEKBIUCHYRH-LBPRGKRZSA-N 0 3 364.398 2.802 20 5 FFBDHN CC(C)N(C)Cc1cc(O[C@H]2CCN(c3ccc([N+](=O)[O-])nc3)C2)ccn1 ZINC000856535097 1007874880 /nfs/dbraw/zinc/87/48/80/1007874880.db2.gz NNVOACDOPSZRDQ-SFHVURJKSA-N 0 3 371.441 2.883 20 5 FFBDHN Cc1cc(C)n(-c2ccc(CNC[C@@H](O)c3cccc([N+](=O)[O-])c3)cn2)n1 ZINC000818963866 1007979734 /nfs/dbraw/zinc/97/97/34/1007979734.db2.gz CXUCJYVJRUBEOS-GOSISDBHSA-N 0 3 367.409 2.616 20 5 FFBDHN O=C1CCCN1c1cccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000818955587 1007993674 /nfs/dbraw/zinc/99/36/74/1007993674.db2.gz AUQUYNWZQGBCKT-SFHVURJKSA-N 0 3 355.394 2.545 20 5 FFBDHN O=C1[C@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)CCCN1C1CCCCC1 ZINC000819253523 1008071130 /nfs/dbraw/zinc/07/11/30/1008071130.db2.gz GNJAKCKZQWNLFQ-MSOLQXFVSA-N 0 3 361.442 2.542 20 5 FFBDHN CCC(CC)Nc1ccncc1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000820139597 1008292277 /nfs/dbraw/zinc/29/22/77/1008292277.db2.gz IXHGYEAOPWGPCR-UHFFFAOYSA-N 0 3 361.377 2.986 20 5 FFBDHN CN1CCN(CCCCNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000858452654 1008363053 /nfs/dbraw/zinc/36/30/53/1008363053.db2.gz LLVBMYAHZSFMJD-UHFFFAOYSA-N 0 3 370.453 2.505 20 5 FFBDHN CC(COC(=O)C1(CNC(=O)OCc2ccccc2)CCCC1)[N+](=O)[O-] ZINC000860777917 1009147766 /nfs/dbraw/zinc/14/77/66/1009147766.db2.gz ZJFQQWLMMGFNDS-AWEZNQCLSA-N 0 3 364.398 2.682 20 5 FFBDHN C[C@H](N[C@@H]1CCc2ccccc2OC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000509519028 1009528212 /nfs/dbraw/zinc/52/82/12/1009528212.db2.gz ZIRCGTYNXWGMJW-XJKSGUPXSA-N 0 3 355.394 2.905 20 5 FFBDHN CC(C)[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1 ZINC000794602231 1010434971 /nfs/dbraw/zinc/43/49/71/1010434971.db2.gz CZUZZVQVSJBGPU-PMACEKPBSA-N 0 3 371.437 2.905 20 5 FFBDHN C[C@@H]1[C@H](N(C)C)CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000646474300 1011968842 /nfs/dbraw/zinc/96/88/42/1011968842.db2.gz YCKIENPYJSZBRC-CRAIPNDOSA-N 0 3 363.461 2.706 20 5 FFBDHN c1nc(-c2nc(-c3ccc4ccc5cccnc5c4n3)no2)c2n1CCNC2 ZINC001217213678 1032655119 /nfs/dbraw/zinc/65/51/19/1032655119.db2.gz BTNBEDQPJLCYHF-UHFFFAOYSA-N 0 3 369.388 2.800 20 5 FFBDHN O=[N+]([O-])c1ccc2cc(-c3nc(-c4ccc5c(n4)CCNC5)no3)[nH]c2c1 ZINC001217363025 1032710355 /nfs/dbraw/zinc/71/03/55/1032710355.db2.gz QDDDFGMEPZAXIC-UHFFFAOYSA-N 0 3 362.349 2.834 20 5 FFBDHN O=[N+]([O-])c1cccc2c(-c3nc(-c4ccc5c(n4)CCNC5)no3)ccnc21 ZINC001217543752 1032777566 /nfs/dbraw/zinc/77/75/66/1032777566.db2.gz RUVYBHCVPYQVPI-UHFFFAOYSA-N 0 3 374.360 2.901 20 5 FFBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@@](CO)(c3ccccc3)C2)c1 ZINC000801578510 1019134211 /nfs/dbraw/zinc/13/42/11/1019134211.db2.gz HHCDOGBQYHRRNV-HXUWFJFHSA-N 0 3 356.422 3.000 20 5 FFBDHN O=C(CN[C@H]1CCOC12CCCCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000933874562 1021106183 /nfs/dbraw/zinc/10/61/83/1021106183.db2.gz RROQYDMMSZBJTB-KRWDZBQOSA-N 0 3 359.426 2.565 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H](Cn2cccn2)c2ccccc2)c1 ZINC000750108496 1021356049 /nfs/dbraw/zinc/35/60/49/1021356049.db2.gz URCJJAJENPGQRI-RTBURBONSA-N 0 3 352.394 2.856 20 5 FFBDHN CCOc1cc(N2CCN(CC3CCC(O)CC3)CC2)ccc1[N+](=O)[O-] ZINC001118497792 1022263378 /nfs/dbraw/zinc/26/33/78/1022263378.db2.gz ZTEANCRCNXHOTC-UHFFFAOYSA-N 0 3 363.458 2.667 20 5 FFBDHN COc1cc(C(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1O[C@@H]1CN[C@@H]1C ZINC001218382995 1033130696 /nfs/dbraw/zinc/13/06/96/1033130696.db2.gz FJUOQAYRILOBQG-SJKOYZFVSA-N 0 3 356.378 2.882 20 5 FFBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc([C@@H]2CCCN(C)C2)n1C ZINC001121348313 1023721442 /nfs/dbraw/zinc/72/14/42/1023721442.db2.gz JHCFLASWHKJJGL-MRXNPFEDSA-N 0 3 372.473 2.948 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000757790934 1023859930 /nfs/dbraw/zinc/85/99/30/1023859930.db2.gz SVCVSRODCJIYGX-TVQRCGJNSA-N 0 3 370.356 2.800 20 5 FFBDHN COC(=O)c1cc(C(=O)OCCN(C)Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000837344899 1025736083 /nfs/dbraw/zinc/73/60/83/1025736083.db2.gz WQUNAZWGOMMWDB-UHFFFAOYSA-N 0 3 372.377 2.670 20 5 FFBDHN Cc1nn(CN2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c2ncc([N+](=O)[O-])cc12 ZINC000840117173 1026965243 /nfs/dbraw/zinc/96/52/43/1026965243.db2.gz SKSGVOHMYIMWDP-OIISXLGYSA-N 0 3 359.430 2.621 20 5 FFBDHN C[C@@]12CN(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000840118172 1026965849 /nfs/dbraw/zinc/96/58/49/1026965849.db2.gz YCKVLLQQJAOVRS-PBYMTVQHSA-N 0 3 351.410 2.955 20 5 FFBDHN O=[N+]([O-])c1ccc2cnn(CN3CCC[C@@H]4CC5(CC[C@@H]43)OCCO5)c2c1 ZINC000840138615 1026978691 /nfs/dbraw/zinc/97/86/91/1026978691.db2.gz RSRBOTAPTKCMLP-PBHICJAKSA-N 0 3 372.425 2.910 20 5 FFBDHN NCc1ccc2c(n1)N(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)CCC2 ZINC001158649507 1027083723 /nfs/dbraw/zinc/08/37/23/1027083723.db2.gz LSMUMYNJQRZGQY-UHFFFAOYSA-N 0 3 369.759 2.999 20 5 FFBDHN Cc1nn(CN2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c(C)c1[N+](=O)[O-] ZINC000795690967 1027815169 /nfs/dbraw/zinc/81/51/69/1027815169.db2.gz BTNPHBLLINVNRF-KZNAEPCWSA-N 0 3 356.426 2.870 20 5 FFBDHN N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N1CCNC2(CC2)C1 ZINC001161550275 1028223959 /nfs/dbraw/zinc/22/39/59/1028223959.db2.gz GUIXSXFBWYXNBF-NRFANRHFSA-N 0 3 359.473 2.827 20 5 FFBDHN Cc1cc(Cl)c([N+](=O)[O-])c(-n2nc(C(F)(F)F)c3c2CCNC3)n1 ZINC001154849173 1028483041 /nfs/dbraw/zinc/48/30/41/1028483041.db2.gz GFOUCIOELSVMDO-UHFFFAOYSA-N 0 3 361.711 2.802 20 5 FFBDHN C[Si](C)(C)CCOCN[C@@H]1CCCN(c2cc([N+](=O)[O-])ccn2)C1 ZINC001156464104 1029202869 /nfs/dbraw/zinc/20/28/69/1029202869.db2.gz COSZONXOCCGAOV-CQSZACIVSA-N 0 3 352.511 2.861 20 5 FFBDHN COCCN1CCC(Oc2cccc([N+](=O)[O-])c2Br)CC1 ZINC001225762111 1034400241 /nfs/dbraw/zinc/40/02/41/1034400241.db2.gz ZEFVAHMVIKWMOF-UHFFFAOYSA-N 0 3 359.220 2.847 20 5 FFBDHN CN1CCC[C@H](Oc2ccccc2C(=O)Nc2ncc([N+](=O)[O-])s2)C1 ZINC001227514917 1035592670 /nfs/dbraw/zinc/59/26/70/1035592670.db2.gz DWCQRYBHSFUWSO-NSHDSACASA-N 0 3 362.411 2.777 20 5 FFBDHN Cc1cc2[n-]c(OC[C@@H]3CCC4(CC[NH+](C)CC4)O3)nc2cc1[N+](=O)[O-] ZINC001228672090 1036245040 /nfs/dbraw/zinc/24/50/40/1036245040.db2.gz PCPAXLVUTLFQRG-ZDUSSCGKSA-N 0 3 360.414 2.802 20 5 FFBDHN COc1cc(CC[N+](=O)[O-])ccc1O[C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001233987601 1036856414 /nfs/dbraw/zinc/85/64/14/1036856414.db2.gz RHWBUZARNDLGGJ-QAQDUYKDSA-N 0 3 364.442 2.537 20 5 FFBDHN COc1cnc(-c2noc(C[C@@H](N)c3ccccc3[N+](=O)[O-])n2)c(C)c1 ZINC001249343272 1040692083 /nfs/dbraw/zinc/69/20/83/1040692083.db2.gz ZBYMEOBWZDRFCW-CYBMUJFWSA-N 0 3 355.354 2.599 20 5 FFBDHN Cc1cc(OC2CCN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)ncn1 ZINC001254605665 1040834640 /nfs/dbraw/zinc/83/46/40/1040834640.db2.gz BZQQCNATPOTBBG-KRWDZBQOSA-N 0 3 354.410 2.704 20 5 FFBDHN Cc1cncnc1O[C@@H]1CCCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612420 1040841169 /nfs/dbraw/zinc/84/11/69/1040841169.db2.gz WEDBVAWMABQSAQ-ZWKOTPCHSA-N 0 3 354.410 2.704 20 5 FFBDHN Cc1cnc(OC2CCN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)nc1 ZINC001254611993 1040841704 /nfs/dbraw/zinc/84/17/04/1040841704.db2.gz UHVSIZVGDNSJER-KRWDZBQOSA-N 0 3 354.410 2.704 20 5 FFBDHN CN1CCN(c2ccc3[nH]c(Cc4cccc([N+](=O)[O-])c4)nc3c2)CC1 ZINC001250594156 1041262779 /nfs/dbraw/zinc/26/27/79/1041262779.db2.gz AHJWWWZHHMUAJK-UHFFFAOYSA-N 0 3 351.410 2.814 20 5 FFBDHN O=C(Nc1ccc([C@H]2CNCCO2)cc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001261630304 1041340963 /nfs/dbraw/zinc/34/09/63/1041340963.db2.gz IUEICYPLIJTIOL-GOSISDBHSA-N 0 3 368.393 2.803 20 5 FFBDHN COc1c(F)nccc1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC001263534855 1042359557 /nfs/dbraw/zinc/35/95/57/1042359557.db2.gz LESKGJDKLOHHJC-TVQRCGJNSA-N 0 3 352.293 2.932 20 5 FFBDHN COc1ccc(CC(=O)N2CCN(C)C3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC001298169333 1050390672 /nfs/dbraw/zinc/39/06/72/1050390672.db2.gz CEXCRXBXNQYONB-UHFFFAOYSA-N 0 3 361.442 2.623 20 5 FFBDHN CCn1c([C@@H]2CCCN(C)C2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] ZINC001342801740 1051410119 /nfs/dbraw/zinc/41/01/19/1051410119.db2.gz MCCAWDRYWKIPFY-MRXNPFEDSA-N 0 3 372.473 2.694 20 5 FFBDHN Cc1cc(N2CC[C@@H]3[C@H]2CCCN3CCO)c([N+](=O)[O-])cc1C(F)(F)F ZINC001307227611 1052272253 /nfs/dbraw/zinc/27/22/53/1052272253.db2.gz IVTJVYWUTSJWBV-ZIAGYGMSSA-N 0 3 373.375 2.957 20 5 FFBDHN COc1ccc(CN[C@@H]2COc3c(F)cc(F)cc3C2)cc1[N+](=O)[O-] ZINC001308548863 1052467449 /nfs/dbraw/zinc/46/74/49/1052467449.db2.gz KXGZDMHQMHWCOE-ZDUSSCGKSA-N 0 3 350.321 2.975 20 5 FFBDHN CC(C)(C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)N1CCCCC1 ZINC001544203343 1071610192 /nfs/dbraw/zinc/61/01/92/1071610192.db2.gz RFLNUDYXBDZIRM-UHFFFAOYSA-N 0 3 374.485 2.504 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849483722 1056869392 /nfs/dbraw/zinc/86/93/92/1056869392.db2.gz IVHVJYKGVKESEK-JKSUJKDBSA-N 0 3 371.441 2.619 20 5 FFBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001544755867 1071687544 /nfs/dbraw/zinc/68/75/44/1071687544.db2.gz VOAAKSBQMMYEJH-UHFFFAOYSA-N 0 3 360.389 2.520 20 5 FFBDHN Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC001518340735 1058347034 /nfs/dbraw/zinc/34/70/34/1058347034.db2.gz FWSNEUOXJQEWKY-CQSZACIVSA-N 0 3 368.393 2.918 20 5 FFBDHN COc1cc(CN(C)C)ccc1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001451089783 1059081265 /nfs/dbraw/zinc/08/12/65/1059081265.db2.gz HVXPXHAHJJSVCC-UHFFFAOYSA-N 0 3 362.361 2.639 20 5 FFBDHN C[C@@H](C(=O)OC[C@@H]1CCN1C1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC001520069480 1059372743 /nfs/dbraw/zinc/37/27/43/1059372743.db2.gz RAYRNTCJXCILSU-DOMZBBRYSA-N 0 3 366.389 2.634 20 5 FFBDHN CC(COC(=O)c1ccc(Cn2cc(Br)cn2)s1)[N+](=O)[O-] ZINC001515230887 1059446635 /nfs/dbraw/zinc/44/66/35/1059446635.db2.gz VIHSUYGHAUCYIZ-MRVPVSSYSA-N 0 3 374.216 2.577 20 5 FFBDHN CCCCN(C)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1CC ZINC001475355210 1061059362 /nfs/dbraw/zinc/05/93/62/1061059362.db2.gz CVANXDCKCCNUTG-ZDUSSCGKSA-N 0 3 357.476 2.556 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N2c3ccccc3CC[C@@H]2CN(C)C)n1 ZINC001523575462 1062525520 /nfs/dbraw/zinc/52/55/20/1062525520.db2.gz ZVPMUFXPFCPNTE-OAHLLOKOSA-N 0 3 354.410 2.821 20 5 FFBDHN COc1cccc([C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3OC)CCN2)c1 ZINC001473740024 1065342924 /nfs/dbraw/zinc/34/29/24/1065342924.db2.gz ZPPCEHQBBHMRED-SFHVURJKSA-N 0 3 357.410 2.759 20 5 FFBDHN CC(C)OC(=O)C1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC001560154491 1076237840 /nfs/dbraw/zinc/23/78/40/1076237840.db2.gz LGZHSSDHEQDLNZ-UHFFFAOYSA-N 0 3 363.414 2.587 20 5 FFBDHN CC(C)CC[NH+]1CCC(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001589602108 1080631181 /nfs/dbraw/zinc/63/11/81/1080631181.db2.gz PCUIHKSIVCUHQA-UHFFFAOYSA-N 0 3 373.461 2.945 20 5 FFBDHN CC(C)CC[NH+]1CCC(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001589602108 1080631185 /nfs/dbraw/zinc/63/11/85/1080631185.db2.gz PCUIHKSIVCUHQA-UHFFFAOYSA-N 0 3 373.461 2.945 20 5 FFBDHN C[C@@]1(c2ccccc2)CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590152956 1081053976 /nfs/dbraw/zinc/05/39/76/1081053976.db2.gz IFLDRTUVQVSYTG-LJQANCHMSA-N 0 3 364.409 2.939 20 5 FFBDHN C[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590152956 1081053982 /nfs/dbraw/zinc/05/39/82/1081053982.db2.gz IFLDRTUVQVSYTG-LJQANCHMSA-N 0 3 364.409 2.939 20 5 FFBDHN C[C@H]1CCC[C@@](CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC001590241031 1081115766 /nfs/dbraw/zinc/11/57/66/1081115766.db2.gz FZLDSDDZHQFOTF-YVEFUNNKSA-N 0 3 359.434 2.697 20 5 FFBDHN C[C@H]1CCC[C@@](CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC001590241031 1081115769 /nfs/dbraw/zinc/11/57/69/1081115769.db2.gz FZLDSDDZHQFOTF-YVEFUNNKSA-N 0 3 359.434 2.697 20 5 FFBDHN C[C@@H]1CCC[N@H+](CCCCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590261443 1081128858 /nfs/dbraw/zinc/12/88/58/1081128858.db2.gz WJDZZEBGVHIERW-CYBMUJFWSA-N 0 3 359.434 2.699 20 5 FFBDHN C[C@@H]1CCC[N@@H+](CCCCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590261443 1081128864 /nfs/dbraw/zinc/12/88/64/1081128864.db2.gz WJDZZEBGVHIERW-CYBMUJFWSA-N 0 3 359.434 2.699 20 5 FFBDHN C[C@@H]1CCC[N@H+](CCCCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590261443 1081128869 /nfs/dbraw/zinc/12/88/69/1081128869.db2.gz WJDZZEBGVHIERW-CYBMUJFWSA-N 0 3 359.434 2.699 20 5 FFBDHN C[C@@H]1CCC[N@@H+](CCCCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590261443 1081128875 /nfs/dbraw/zinc/12/88/75/1081128875.db2.gz WJDZZEBGVHIERW-CYBMUJFWSA-N 0 3 359.434 2.699 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[C@H](n4cncn4)C3)o2)c1 ZINC000106217943 250259269 /nfs/dbraw/zinc/25/92/69/250259269.db2.gz CRUOJNRLMIVQCQ-INIZCTEOSA-N 0 3 368.397 2.721 20 5 FFBDHN CN(CCN(C)C1CC1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000186786024 251263543 /nfs/dbraw/zinc/26/35/43/251263543.db2.gz OHNGREOZCCOSNW-UHFFFAOYSA-N 0 3 360.458 2.751 20 5 FFBDHN Cc1ccc2[nH]c([C@H]3CCCN(CCn4ccc([N+](=O)[O-])n4)C3)nc2c1 ZINC000181141531 251246536 /nfs/dbraw/zinc/24/65/36/251246536.db2.gz FMVNTBMCBXHKBM-AWEZNQCLSA-N 0 3 354.414 2.856 20 5 FFBDHN Cc1ccc2nc([C@H]3CCCN(CCn4ccc([N+](=O)[O-])n4)C3)[nH]c2c1 ZINC000181141531 251246539 /nfs/dbraw/zinc/24/65/39/251246539.db2.gz FMVNTBMCBXHKBM-AWEZNQCLSA-N 0 3 354.414 2.856 20 5 FFBDHN C[C@@H]1CN(CCC2CCN(c3ncc([N+](=O)[O-])s3)CC2)C[C@@H](C)O1 ZINC000192479775 251277374 /nfs/dbraw/zinc/27/73/74/251277374.db2.gz QYTQWASVUHOEIH-CHWSQXEVSA-N 0 3 354.476 2.767 20 5 FFBDHN CCC[C@@](C)(O)CNCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272393661 252027526 /nfs/dbraw/zinc/02/75/26/252027526.db2.gz JGSPILNHPUFYKJ-MRXNPFEDSA-N 0 3 362.373 2.888 20 5 FFBDHN CN1CC[C@H]2CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272604399 252079340 /nfs/dbraw/zinc/07/93/40/252079340.db2.gz YYBYDVUWTAOWQY-IINYFYTJSA-N 0 3 368.231 2.524 20 5 FFBDHN C[C@@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1=CCN(C)CC1 ZINC000272987580 252183672 /nfs/dbraw/zinc/18/36/72/252183672.db2.gz PPVJVFYEJINCGH-CQSZACIVSA-N 0 3 358.442 2.919 20 5 FFBDHN C[C@@]1(NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000273049000 252200402 /nfs/dbraw/zinc/20/04/02/252200402.db2.gz JYRZWDNLGPGCPA-HZPDHXFCSA-N 0 3 353.806 2.734 20 5 FFBDHN CN(C)CCN(Cc1ccco1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273499617 252318299 /nfs/dbraw/zinc/31/82/99/252318299.db2.gz UYHVUQMBYVVUCE-UHFFFAOYSA-N 0 3 350.350 2.923 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)NCC2(N(C)C)CCC2)cc1SC ZINC000275845525 256053595 /nfs/dbraw/zinc/05/35/95/256053595.db2.gz HIBMNJSOCATMCO-UHFFFAOYSA-N 0 3 353.444 2.539 20 5 FFBDHN O=C(NC[C@H]1CCCCN1C1CC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000277630228 256219601 /nfs/dbraw/zinc/21/96/01/256219601.db2.gz XDMNMJALOOTBMM-CQSZACIVSA-N 0 3 370.409 2.595 20 5 FFBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000285813457 257006146 /nfs/dbraw/zinc/00/61/46/257006146.db2.gz NJAVOBNTRHZPSU-CZUORRHYSA-N 0 3 358.442 2.868 20 5 FFBDHN CN1CC[C@@H]2OCCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[C@@H]2C1 ZINC000284550292 256935830 /nfs/dbraw/zinc/93/58/30/256935830.db2.gz HHLDLYHSLCXYIK-MJGOQNOKSA-N 0 3 357.410 2.760 20 5 FFBDHN CC[C@H](NC[C@@](C)(O)CNC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000289300700 257273177 /nfs/dbraw/zinc/27/31/77/257273177.db2.gz BMMFPMACRILUME-MAUKXSAKSA-N 0 3 367.446 2.911 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H](c3ccncc3)C2)c1 ZINC000289358051 257276406 /nfs/dbraw/zinc/27/64/06/257276406.db2.gz NVOMIBKVQJTHOR-FUHWJXTLSA-N 0 3 357.410 2.609 20 5 FFBDHN CS[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@H]1N(C)C ZINC000289524481 257285793 /nfs/dbraw/zinc/28/57/93/257285793.db2.gz CNSHQFBXFIOYEU-NEPJUHHUSA-N 0 3 358.851 2.758 20 5 FFBDHN CCN(CC)[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccsc1 ZINC000290581377 257343610 /nfs/dbraw/zinc/34/36/10/257343610.db2.gz VXPOQTOWCZONQL-CYBMUJFWSA-N 0 3 363.443 2.645 20 5 FFBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NCCCN1CCc2ccccc2C1 ZINC000301096836 258024494 /nfs/dbraw/zinc/02/44/94/258024494.db2.gz JMAACDUAJYSIJN-UHFFFAOYSA-N 0 3 368.437 2.815 20 5 FFBDHN Cn1ccnc1C(=O)c1ccc(N[C@@H]2CCN3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000301231496 258035820 /nfs/dbraw/zinc/03/58/20/258035820.db2.gz FRJWWFZECXLSDQ-CVEARBPZSA-N 0 3 369.425 2.598 20 5 FFBDHN CN1CCC[C@H](N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)C1 ZINC000301303707 258041582 /nfs/dbraw/zinc/04/15/82/258041582.db2.gz SQMASNPNQUIOJF-AWEZNQCLSA-N 0 3 372.391 2.830 20 5 FFBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCN1CC(C)(C)O ZINC000302465499 258102757 /nfs/dbraw/zinc/10/27/57/258102757.db2.gz BFNGXQMKZFVKFR-NSHDSACASA-N 0 3 361.364 2.895 20 5 FFBDHN Cc1cccc(N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000302506970 258104010 /nfs/dbraw/zinc/10/40/10/258104010.db2.gz QTWFQQWNJUXLAJ-HXUWFJFHSA-N 0 3 355.438 2.976 20 5 FFBDHN C[C@H]1CCC[C@@](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)(N(C)C)C1 ZINC000302632116 258107201 /nfs/dbraw/zinc/10/72/01/258107201.db2.gz JLKSGGMQSTYZBH-SUMWQHHRSA-N 0 3 369.487 2.921 20 5 FFBDHN CN(C)[C@@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)c1ccc(F)cc1 ZINC000301614188 258058389 /nfs/dbraw/zinc/05/83/89/258058389.db2.gz HWCPBWZLXDJAER-INIZCTEOSA-N 0 3 374.372 2.780 20 5 FFBDHN O=[N+]([O-])c1cc(F)c(N2CC[C@@H](OCCN3CCCCC3)C2)c(F)c1 ZINC000301838840 258070220 /nfs/dbraw/zinc/07/02/20/258070220.db2.gz ZGAIQCAXAPDPFV-CQSZACIVSA-N 0 3 355.385 2.954 20 5 FFBDHN CN(c1ccc2ncc([N+](=O)[O-])n2n1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000301965579 258078965 /nfs/dbraw/zinc/07/89/65/258078965.db2.gz KDAPNYZNHHYGRA-MRXNPFEDSA-N 0 3 366.425 2.738 20 5 FFBDHN Cc1c(NC(=O)CCN2CC[C@@H](C(C)(C)C)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000330703346 258168620 /nfs/dbraw/zinc/16/86/20/258168620.db2.gz JBJJVTWLFBESQT-PBHICJAKSA-N 0 3 363.458 2.961 20 5 FFBDHN CCN(CCNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)C1CC1 ZINC000121152545 509140270 /nfs/dbraw/zinc/14/02/70/509140270.db2.gz PBNGNTXHRMFARU-UHFFFAOYSA-N 0 3 370.247 2.880 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000064965230 506245954 /nfs/dbraw/zinc/24/59/54/506245954.db2.gz LCHNKMISOBNGTJ-ZDUSSCGKSA-N 0 3 369.487 2.692 20 5 FFBDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000369067506 512211710 /nfs/dbraw/zinc/21/17/10/512211710.db2.gz USRJVVZUWMHKQS-AWEZNQCLSA-N 0 3 369.425 2.527 20 5 FFBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(CCC(C)(C)C)CC1 ZINC000055936279 506892172 /nfs/dbraw/zinc/89/21/72/506892172.db2.gz GRVOJZABXPFDPM-HNNXBMFYSA-N 0 3 362.474 2.976 20 5 FFBDHN CN1CCC(N(Cc2ccco2)C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000067722253 506989155 /nfs/dbraw/zinc/98/91/55/506989155.db2.gz JPWWXTNFMKLUCV-UHFFFAOYSA-N 0 3 372.425 2.994 20 5 FFBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000068226836 507154966 /nfs/dbraw/zinc/15/49/66/507154966.db2.gz XFZSNUSJUBUSDO-LSDHHAIUSA-N 0 3 358.442 2.786 20 5 FFBDHN O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000023737892 507370064 /nfs/dbraw/zinc/37/00/64/507370064.db2.gz YDYCXGADGBTSCG-IBGZPJMESA-N 0 3 369.421 2.927 20 5 FFBDHN CN(C)CCN(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000058991672 507489730 /nfs/dbraw/zinc/48/97/30/507489730.db2.gz LHHIYLGYUSYHPL-UHFFFAOYSA-N 0 3 359.401 2.867 20 5 FFBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000059850243 507504773 /nfs/dbraw/zinc/50/47/73/507504773.db2.gz ZGWIQHGHSIMCLL-GOSISDBHSA-N 0 3 353.422 2.918 20 5 FFBDHN Cc1c(CS(=O)(=O)C(C)C(=O)NC2CCCCC2)cccc1[N+](=O)[O-] ZINC000048716966 507554783 /nfs/dbraw/zinc/55/47/83/507554783.db2.gz KXJIOTYXPQSFOR-CYBMUJFWSA-N 0 3 368.455 2.655 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000073988702 507974419 /nfs/dbraw/zinc/97/44/19/507974419.db2.gz VYWSNFKSNFBQNB-YUTCNCBUSA-N 0 3 367.833 2.711 20 5 FFBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000073992736 507974659 /nfs/dbraw/zinc/97/46/59/507974659.db2.gz XSNOQUUNIYZAAV-UONOGXRCSA-N 0 3 367.833 2.712 20 5 FFBDHN CCN(CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000079804988 508002613 /nfs/dbraw/zinc/00/26/13/508002613.db2.gz ITWFDOQBAGABGR-UHFFFAOYSA-N 0 3 356.220 2.571 20 5 FFBDHN CN(C)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000079803992 508002585 /nfs/dbraw/zinc/00/25/85/508002585.db2.gz NUJWITWBHVVACI-LLVKDONJSA-N 0 3 356.220 2.524 20 5 FFBDHN CCN1CCCC[C@@H]1CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000110996801 508064377 /nfs/dbraw/zinc/06/43/77/508064377.db2.gz JPGAVELYMIISRF-MRXNPFEDSA-N 0 3 371.441 2.600 20 5 FFBDHN CN1CC[C@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000377654657 512380027 /nfs/dbraw/zinc/38/00/27/512380027.db2.gz RMBZFZYEHPOJDX-QFBILLFUSA-N 0 3 372.400 2.707 20 5 FFBDHN COCCOc1cccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000093534295 508148554 /nfs/dbraw/zinc/14/85/54/508148554.db2.gz FTSKKCMREXCWEH-INIZCTEOSA-N 0 3 372.425 2.701 20 5 FFBDHN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[C@@H](N2CCCC2)C1 ZINC000112680063 508208641 /nfs/dbraw/zinc/20/86/41/508208641.db2.gz NRUMCHNDUYHXFA-GFCCVEGCSA-N 0 3 351.378 2.585 20 5 FFBDHN CN(C)CCN(Cc1cccs1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000084251323 508271401 /nfs/dbraw/zinc/27/14/01/508271401.db2.gz ADHOEWITFNASEF-UHFFFAOYSA-N 0 3 351.403 2.999 20 5 FFBDHN C[C@@H]1C[C@H](N(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCN1C ZINC000121869604 508437158 /nfs/dbraw/zinc/43/71/58/508437158.db2.gz AXTBWXRWQFSWJJ-ZWNOBZJWSA-N 0 3 370.247 2.912 20 5 FFBDHN CCOC(=O)c1ccnc(N2CCN(C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000152426386 508443792 /nfs/dbraw/zinc/44/37/92/508443792.db2.gz DQWNNAMFEBBGCB-UHFFFAOYSA-N 0 3 362.430 2.621 20 5 FFBDHN CN(C)CCOc1ccccc1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000133943644 508472364 /nfs/dbraw/zinc/47/23/64/508472364.db2.gz JDBVBPYILLYRHW-UHFFFAOYSA-N 0 3 361.373 2.604 20 5 FFBDHN Cn1cc(CN[C@@H](CO)Cc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000152719229 508501437 /nfs/dbraw/zinc/50/14/37/508501437.db2.gz LIVSRIHIIWJEFJ-GOSISDBHSA-N 0 3 366.421 2.689 20 5 FFBDHN COCCN1CCC(Nc2cc(Cl)c(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000122245901 508506130 /nfs/dbraw/zinc/50/61/30/508506130.db2.gz OAJFQWDKFPELGP-UHFFFAOYSA-N 0 3 371.821 2.558 20 5 FFBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000157158391 508530839 /nfs/dbraw/zinc/53/08/39/508530839.db2.gz WRKFBIYPXKWIRK-IAGOWNOFSA-N 0 3 372.469 2.751 20 5 FFBDHN CCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SCCOC ZINC000128093642 508546499 /nfs/dbraw/zinc/54/64/99/508546499.db2.gz KMONPESPZAYWIK-AWEZNQCLSA-N 0 3 367.471 2.547 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000119036285 508711672 /nfs/dbraw/zinc/71/16/72/508711672.db2.gz UNMXMMYRDXQWRK-KXBFYZLASA-N 0 3 368.437 2.915 20 5 FFBDHN C[C@@H]1CN(CCCCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000119105099 508726570 /nfs/dbraw/zinc/72/65/70/508726570.db2.gz APHOHUOUVISWHA-CHWSQXEVSA-N 0 3 369.849 2.867 20 5 FFBDHN COc1cc(C(=O)Nc2ccc(OCCN(C)C)cc2)ccc1[N+](=O)[O-] ZINC000154410496 508778596 /nfs/dbraw/zinc/77/85/96/508778596.db2.gz DMGAZRXMHXKTEG-UHFFFAOYSA-N 0 3 359.382 2.796 20 5 FFBDHN Cc1ccc([C@H](C)NC[C@@]2(N3CCOCC3)CCSC2)cc1[N+](=O)[O-] ZINC000154427330 508782524 /nfs/dbraw/zinc/78/25/24/508782524.db2.gz UHLAXAPFDZRKSC-YJBOKZPZSA-N 0 3 365.499 2.762 20 5 FFBDHN CN(C)C[C@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000159104859 508792843 /nfs/dbraw/zinc/79/28/43/508792843.db2.gz ONZIDDRHEXIVBO-SNVBAGLBSA-N 0 3 356.220 2.524 20 5 FFBDHN Cc1ccc([C@H](C)NCc2ccnc(N3CCN(C)CC3)c2)cc1[N+](=O)[O-] ZINC000159156004 508801159 /nfs/dbraw/zinc/80/11/59/508801159.db2.gz BOCDKXHRQQWHBD-INIZCTEOSA-N 0 3 369.469 2.901 20 5 FFBDHN Cn1cc(CN2CCN(CC3CC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000130637707 508825668 /nfs/dbraw/zinc/82/56/68/508825668.db2.gz RMTIOAJHUFEONG-UHFFFAOYSA-N 0 3 355.442 2.523 20 5 FFBDHN Cn1cc(N2CC[C@@H](NCc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2)cn1 ZINC000377728585 512422414 /nfs/dbraw/zinc/42/24/14/512422414.db2.gz XLQJXYKOPQTFOV-OAHLLOKOSA-N 0 3 367.409 2.957 20 5 FFBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H](O)c1ccc(F)cc1 ZINC000124828209 508891251 /nfs/dbraw/zinc/89/12/51/508891251.db2.gz XTXBBTQKNCESHO-SJCJKPOMSA-N 0 3 361.373 2.774 20 5 FFBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000160245455 508959992 /nfs/dbraw/zinc/95/99/92/508959992.db2.gz OVEAETJKHVPBBF-LIRRHRJNSA-N 0 3 368.437 2.887 20 5 FFBDHN C[C@@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)N1CCC(C)CC1 ZINC000125336865 508967253 /nfs/dbraw/zinc/96/72/53/508967253.db2.gz YLFQEVPKQYAUHF-HNNXBMFYSA-N 0 3 360.458 2.783 20 5 FFBDHN O=C(NC[C@@H]1CCN(C2CC2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000126672955 509111323 /nfs/dbraw/zinc/11/13/23/509111323.db2.gz HSKNEAAMRYYPJA-LBPRGKRZSA-N 0 3 372.450 2.932 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CN1C1CC1 ZINC000182350713 509189725 /nfs/dbraw/zinc/18/97/25/509189725.db2.gz AGTQNNUJVALKDH-VHSXEESVSA-N 0 3 355.341 2.551 20 5 FFBDHN C[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000182404250 509220366 /nfs/dbraw/zinc/22/03/66/509220366.db2.gz IAWHHPPPVDGFGJ-WFASDCNBSA-N 0 3 361.354 2.594 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@H](Nc2ccccc2)C1 ZINC000248459696 509331490 /nfs/dbraw/zinc/33/14/90/509331490.db2.gz NUYVKSTYOAGTOZ-DLBZAZTESA-N 0 3 357.410 2.521 20 5 FFBDHN COc1cc(CNC[C@@H](C)N(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000264234172 509399628 /nfs/dbraw/zinc/39/96/28/509399628.db2.gz CSSPOWSALGOKOQ-SNVBAGLBSA-N 0 3 365.352 2.584 20 5 FFBDHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000192219633 509410475 /nfs/dbraw/zinc/41/04/75/509410475.db2.gz MYRFWIYPXVGUMK-IBGZPJMESA-N 0 3 369.421 2.616 20 5 FFBDHN CCc1[nH]nc(C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000173208558 509457123 /nfs/dbraw/zinc/45/71/23/509457123.db2.gz OTOWWDXUAJTQMA-AWEZNQCLSA-N 0 3 371.441 2.617 20 5 FFBDHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cccc(OC(F)F)c1 ZINC000179575856 509520580 /nfs/dbraw/zinc/52/05/80/509520580.db2.gz HBKIRWFAJAVENU-NSHDSACASA-N 0 3 353.325 2.709 20 5 FFBDHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(OC(F)F)cc1 ZINC000179601182 509531552 /nfs/dbraw/zinc/53/15/52/509531552.db2.gz ZOZZZLTTXYGFIX-LLVKDONJSA-N 0 3 353.325 2.709 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000248907110 509540134 /nfs/dbraw/zinc/54/01/34/509540134.db2.gz UXUJMHVITOZJOA-CZUORRHYSA-N 0 3 355.398 2.632 20 5 FFBDHN CC(C)CN(C(=O)CN(C)c1ccccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000173409972 509580350 /nfs/dbraw/zinc/58/03/50/509580350.db2.gz DZIYGFJAYAEABR-UHFFFAOYSA-N 0 3 362.474 2.610 20 5 FFBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCN(CC(C)(C)O)C[C@@H]1C ZINC000189461120 509585943 /nfs/dbraw/zinc/58/59/43/509585943.db2.gz RTXUSDFWMYFXEY-HNNXBMFYSA-N 0 3 365.474 2.659 20 5 FFBDHN O=C(NC1CC1)c1ccc(N2CC[C@H](N3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000264546326 509591766 /nfs/dbraw/zinc/59/17/66/509591766.db2.gz BXEUVHOOAMVAQZ-INIZCTEOSA-N 0 3 358.442 2.552 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@@H](N4CCCCC4)C3)n2)cc1 ZINC000264557265 509598903 /nfs/dbraw/zinc/59/89/03/509598903.db2.gz DUFLPKZWBRGZPD-MRXNPFEDSA-N 0 3 357.414 2.705 20 5 FFBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000183148621 509626061 /nfs/dbraw/zinc/62/60/61/509626061.db2.gz VNGNHSFYCKZVFJ-BXUZGUMPSA-N 0 3 369.368 2.753 20 5 FFBDHN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H](N2CCCCC2)C1 ZINC000264703935 509656396 /nfs/dbraw/zinc/65/63/96/509656396.db2.gz AJWHTLUKYKICDV-AWEZNQCLSA-N 0 3 370.409 2.549 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCCO[C@H]1CC(C)C ZINC000186339978 509657817 /nfs/dbraw/zinc/65/78/17/509657817.db2.gz VRZJOUOJOFJAIO-PBHICJAKSA-N 0 3 365.430 2.725 20 5 FFBDHN CC(C)C[C@H]1OCCC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000186344357 509660808 /nfs/dbraw/zinc/66/08/08/509660808.db2.gz IUIBMPHRDOCJTB-DLBZAZTESA-N 0 3 370.471 2.552 20 5 FFBDHN CN(C)C[C@@H]1CCCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000268125348 509769838 /nfs/dbraw/zinc/76/98/38/509769838.db2.gz LLPBVMLJBBAXHY-AWEZNQCLSA-N 0 3 360.439 2.885 20 5 FFBDHN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NC[C@H]3CCCN3C)cc2[N+](=O)[O-])C1 ZINC000253356599 509870274 /nfs/dbraw/zinc/87/02/74/509870274.db2.gz VNUKBCPTSYDOIY-HLLBOEOZSA-N 0 3 374.485 2.901 20 5 FFBDHN C[C@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)N1[C@H](C)CC[C@H]1C ZINC000245203392 509884625 /nfs/dbraw/zinc/88/46/25/509884625.db2.gz QMVYGVSLYOPTKB-BZUAXINKSA-N 0 3 360.458 2.505 20 5 FFBDHN C[C@H](NCCC(=O)NC(=O)NCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180394248 509900457 /nfs/dbraw/zinc/90/04/57/509900457.db2.gz SIXTYTOAVFFSOI-AWEZNQCLSA-N 0 3 370.409 2.662 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000171048059 509907672 /nfs/dbraw/zinc/90/76/72/509907672.db2.gz NHHMRNZLYUGFKL-UHFFFAOYSA-N 0 3 356.426 2.807 20 5 FFBDHN COC(=O)c1cnc(NC[C@@H](c2cccs2)N(C)C)c([N+](=O)[O-])c1 ZINC000190164291 509978467 /nfs/dbraw/zinc/97/84/67/509978467.db2.gz YWNMVSCXTBIHPR-LBPRGKRZSA-N 0 3 350.400 2.553 20 5 FFBDHN C[C@@H]1C[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2Br)CCN1C ZINC000180571793 509990692 /nfs/dbraw/zinc/99/06/92/509990692.db2.gz IIQOVIONKJONOW-GHMZBOCLSA-N 0 3 370.247 2.912 20 5 FFBDHN CC(C)n1cnnc1[C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000180629888 510023581 /nfs/dbraw/zinc/02/35/81/510023581.db2.gz YFJXPMXVGQSYPC-RDJZCZTQSA-N 0 3 359.430 2.680 20 5 FFBDHN CCc1ccc([C@@H]2CNCCN2CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000261708839 510036500 /nfs/dbraw/zinc/03/65/00/510036500.db2.gz KEZGNPPBCRQNFL-IBGZPJMESA-N 0 3 368.437 2.742 20 5 FFBDHN C[C@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@H](C)C1 ZINC000245721179 510106669 /nfs/dbraw/zinc/10/66/69/510106669.db2.gz WCTKIDTYRPHQQP-LSDHHAIUSA-N 0 3 371.441 2.631 20 5 FFBDHN COc1ccc(NC(=O)CCN2CCC(c3ncc[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000265548791 510110812 /nfs/dbraw/zinc/11/08/12/510110812.db2.gz YEOPMLAHTAWBAU-UHFFFAOYSA-N 0 3 373.413 2.535 20 5 FFBDHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC000174660802 510236548 /nfs/dbraw/zinc/23/65/48/510236548.db2.gz KSPZJQVQFZCHRX-SKDRFNHKSA-N 0 3 359.213 2.810 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H]2Cc2ccccc2Cl)c1 ZINC000174749406 510290502 /nfs/dbraw/zinc/29/05/02/510290502.db2.gz FHTFXGAUYDKNHJ-ZBFHGGJFSA-N 0 3 364.833 2.513 20 5 FFBDHN Cc1ccc(CCN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]2CCCO2)cc1 ZINC000174879543 510361669 /nfs/dbraw/zinc/36/16/69/510361669.db2.gz XFAAONUVLYDXPG-IBGZPJMESA-N 0 3 358.442 2.823 20 5 FFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000175130773 510497683 /nfs/dbraw/zinc/49/76/83/510497683.db2.gz OMLJYRJFIKNSHO-GDBMZVCRSA-N 0 3 369.487 2.562 20 5 FFBDHN CCCc1n[nH]c(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000194743692 510506985 /nfs/dbraw/zinc/50/69/85/510506985.db2.gz SJMPABXXHKAJSH-OAHLLOKOSA-N 0 3 371.441 2.522 20 5 FFBDHN CC(C)(C)[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000181631325 510511311 /nfs/dbraw/zinc/51/13/11/510511311.db2.gz RAZQFVTUGNOUMO-CJNGLKHVSA-N 0 3 368.384 2.807 20 5 FFBDHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CC=CC2)C1 ZINC000175202403 510529365 /nfs/dbraw/zinc/52/93/65/510529365.db2.gz UEHYBBYVWYNZHS-GOSISDBHSA-N 0 3 358.442 2.573 20 5 FFBDHN COC[C@@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000181704117 510547590 /nfs/dbraw/zinc/54/75/90/510547590.db2.gz FGOFMUKMPFIEHH-QGZVFWFLSA-N 0 3 373.409 2.909 20 5 FFBDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000269997236 510632976 /nfs/dbraw/zinc/63/29/76/510632976.db2.gz WUDULKAMAJVHPB-CLROSIBMSA-N 0 3 359.426 2.859 20 5 FFBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000188254623 510672024 /nfs/dbraw/zinc/67/20/24/510672024.db2.gz BEGGPKNMZSTTMM-UHFFFAOYSA-N 0 3 369.487 2.708 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CCN(C(C)(C)C)CC1 ZINC000195232822 510727356 /nfs/dbraw/zinc/72/73/56/510727356.db2.gz GRKUMFGWFWIJKV-UHFFFAOYSA-N 0 3 369.487 2.698 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(c2ccncc2)CC1 ZINC000191673499 510782201 /nfs/dbraw/zinc/78/22/01/510782201.db2.gz APUOMRKBZSDQDK-QGZVFWFLSA-N 0 3 357.410 2.609 20 5 FFBDHN C[C@H]1[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCS1(=O)=O ZINC000293998805 510924542 /nfs/dbraw/zinc/92/45/42/510924542.db2.gz SOTIWTRUNZAHTL-NHYWBVRUSA-N 0 3 366.464 2.989 20 5 FFBDHN CN1CCC[C@]2(CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000294169296 510977567 /nfs/dbraw/zinc/97/75/67/510977567.db2.gz OLJSVFGAPIJWHB-IBGZPJMESA-N 0 3 363.433 2.956 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCCN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000286515338 511027639 /nfs/dbraw/zinc/02/76/39/511027639.db2.gz NACHZEYTDQXRCR-IUODEOHRSA-N 0 3 362.348 2.856 20 5 FFBDHN COc1ccc(CN[C@H](C)C2CN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000294480440 511078721 /nfs/dbraw/zinc/07/87/21/511078721.db2.gz ZYMNAUHNDFBQQE-GFCCVEGCSA-N 0 3 365.430 2.948 20 5 FFBDHN COc1ccc(OCCN2CC[C@@H](C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000361940049 511106020 /nfs/dbraw/zinc/10/60/20/511106020.db2.gz AMUAXIQOPNCQBL-OAHLLOKOSA-N 0 3 350.415 2.731 20 5 FFBDHN O=[N+]([O-])c1cnn(CCN2CCC(COc3ccc(Cl)nc3)CC2)c1 ZINC000364887796 511135081 /nfs/dbraw/zinc/13/50/81/511135081.db2.gz MRELDOWLMJJTOF-UHFFFAOYSA-N 0 3 365.821 2.631 20 5 FFBDHN CN(C)C(=O)COc1ccccc1CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282981074 511187571 /nfs/dbraw/zinc/18/75/71/511187571.db2.gz JJQSYWSIYZBNHH-UHFFFAOYSA-N 0 3 371.437 2.736 20 5 FFBDHN Cn1cc([C@H]2CN(Cc3cccc([N+](=O)[O-])c3)CC23CCOCC3)cn1 ZINC000295098304 511281602 /nfs/dbraw/zinc/28/16/02/511281602.db2.gz UMTATYCPVYRAGO-GOSISDBHSA-N 0 3 356.426 2.725 20 5 FFBDHN COc1cc(C(=O)N2CCN(C3CCC3)C[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000295315044 511360146 /nfs/dbraw/zinc/36/01/46/511360146.db2.gz CSVKTPQDIGVJHJ-LBPRGKRZSA-N 0 3 365.405 2.689 20 5 FFBDHN Cc1nc2ccccn2c(=O)c1CCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292243477 511518839 /nfs/dbraw/zinc/51/88/39/511518839.db2.gz WYZMNUJXLMOOKC-UHFFFAOYSA-N 0 3 366.421 2.979 20 5 FFBDHN C[C@@H]1C[C@H](c2cccnc2)N(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000365588064 511546005 /nfs/dbraw/zinc/54/60/05/511546005.db2.gz UENKQNZMYJPZRG-UWWQBHOKSA-N 0 3 357.410 2.813 20 5 FFBDHN C[C@H](NCc1cccc(CN2CCOCC2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284067022 511594255 /nfs/dbraw/zinc/59/42/55/511594255.db2.gz LDPLCPILNPHMBN-HNNXBMFYSA-N 0 3 370.453 2.860 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@](CO)(Cc3ccccc3)C2)c1 ZINC000365841946 511682451 /nfs/dbraw/zinc/68/24/51/511682451.db2.gz PAZKGTREQWRUQX-RTWAWAEBSA-N 0 3 370.449 2.945 20 5 FFBDHN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCCCCN1CCCC1 ZINC000292780306 511718319 /nfs/dbraw/zinc/71/83/19/511718319.db2.gz LSVJSWVLSRWKJJ-UHFFFAOYSA-N 0 3 355.460 2.676 20 5 FFBDHN Nc1c(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000312662576 511785985 /nfs/dbraw/zinc/78/59/85/511785985.db2.gz MMYDWXDGCWHWQZ-MRXNPFEDSA-N 0 3 368.437 2.819 20 5 FFBDHN CN1CCC(N(Cc2ccccc2)C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000363871632 511820154 /nfs/dbraw/zinc/82/01/54/511820154.db2.gz FWUXGCVYHQNGKT-UHFFFAOYSA-N 0 3 354.410 2.726 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000324013818 511832790 /nfs/dbraw/zinc/83/27/90/511832790.db2.gz LVXOUIVSQKLNAO-HNNXBMFYSA-N 0 3 368.437 2.771 20 5 FFBDHN CN(CCN(C)C1CC1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000274615482 511889014 /nfs/dbraw/zinc/88/90/14/511889014.db2.gz YDJAJUZDVYUXMP-UHFFFAOYSA-N 0 3 356.220 2.524 20 5 FFBDHN Cc1nc2ccccn2c(=O)c1CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296854916 511924805 /nfs/dbraw/zinc/92/48/05/511924805.db2.gz YKSCNXNKYLFRCC-ZDUSSCGKSA-N 0 3 352.394 2.804 20 5 FFBDHN C[C@@H](NCCCN1C(=O)NC2(CCCCC2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000366285647 511939790 /nfs/dbraw/zinc/93/97/90/511939790.db2.gz OZWBEHNUQNIDKN-CQSZACIVSA-N 0 3 374.441 2.890 20 5 FFBDHN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C1=CCN(C)CC1 ZINC000293532078 512000057 /nfs/dbraw/zinc/00/00/57/512000057.db2.gz RIKNHXCJEZNVPA-SNVBAGLBSA-N 0 3 357.332 2.994 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000275129608 512050283 /nfs/dbraw/zinc/05/02/83/512050283.db2.gz OJYMBBLIDJMHHV-ZIAGYGMSSA-N 0 3 369.874 2.900 20 5 FFBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000360063019 512069859 /nfs/dbraw/zinc/06/98/59/512069859.db2.gz XNPXYOOHSOKTSH-WBMJQRKESA-N 0 3 358.341 2.624 20 5 FFBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NC(C)(C)CN2CCCC2)cc1OC ZINC000411089535 512465532 /nfs/dbraw/zinc/46/55/32/512465532.db2.gz WRQKTPWIJXQLCG-UHFFFAOYSA-N 0 3 365.430 2.606 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@H](C)N2CCC[C@H](C)C2)c1F ZINC000411414773 512624880 /nfs/dbraw/zinc/62/48/80/512624880.db2.gz BZAGILSBMDUUDV-STQMWFEESA-N 0 3 367.421 2.522 20 5 FFBDHN COc1ccc([C@@H](CCO)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000411465459 512649530 /nfs/dbraw/zinc/64/95/30/512649530.db2.gz WSVNIBVBIMJZFP-GOSISDBHSA-N 0 3 373.409 2.645 20 5 FFBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000367845091 512687116 /nfs/dbraw/zinc/68/71/16/512687116.db2.gz ZXYDEXHBLYKKKS-AAEUAGOBSA-N 0 3 369.368 2.895 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)Nc2cnc3c(c2)CNCC3)cc1SC ZINC000378394433 512737906 /nfs/dbraw/zinc/73/79/06/512737906.db2.gz JSYOLZYFWZKINN-UHFFFAOYSA-N 0 3 374.422 2.618 20 5 FFBDHN CN1CCN(CC2(C)CCN(Cc3csc([N+](=O)[O-])c3)CC2)CC1 ZINC000368331454 512902940 /nfs/dbraw/zinc/90/29/40/512902940.db2.gz JORCRFVYHGHFTM-UHFFFAOYSA-N 0 3 352.504 2.506 20 5 FFBDHN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000374778531 512998148 /nfs/dbraw/zinc/99/81/48/512998148.db2.gz JYMWLWAAWLTTOD-IYHXRUFHSA-N 0 3 356.426 2.772 20 5 FFBDHN O=[N+]([O-])c1cccc2c1ccnc2N1CCN(CC2CCOCC2)CC1 ZINC000450339688 513150381 /nfs/dbraw/zinc/15/03/81/513150381.db2.gz BLLXIKUKFANZIZ-UHFFFAOYSA-N 0 3 356.426 2.692 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000439756582 513177126 /nfs/dbraw/zinc/17/71/26/513177126.db2.gz LTXHPCHMTBRVOG-HZPDHXFCSA-N 0 3 351.472 2.836 20 5 FFBDHN COC(=O)[C@]1(c2ccccc2)CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000428794043 513193480 /nfs/dbraw/zinc/19/34/80/513193480.db2.gz LXJCUGCRVMUSPK-HXUWFJFHSA-N 0 3 370.405 2.920 20 5 FFBDHN COc1cnccc1N1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450497074 513220913 /nfs/dbraw/zinc/22/09/13/513220913.db2.gz BWFHXKQZPWWMBO-UHFFFAOYSA-N 0 3 365.393 2.873 20 5 FFBDHN CCCN(CCN1CCN(CC)CC1)c1nccc2c1cccc2[N+](=O)[O-] ZINC000450531653 513239172 /nfs/dbraw/zinc/23/91/72/513239172.db2.gz KCBCSSQVKLVPPO-UHFFFAOYSA-N 0 3 371.485 2.997 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000428994673 513244687 /nfs/dbraw/zinc/24/46/87/513244687.db2.gz PJOYOFYKABARLM-DDUZABMNSA-N 0 3 360.458 2.504 20 5 FFBDHN CN(C)CCc1ccccc1NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000446576894 513286647 /nfs/dbraw/zinc/28/66/47/513286647.db2.gz JEVUJWKUEXJVKE-UHFFFAOYSA-N 0 3 371.441 2.933 20 5 FFBDHN C[C@@H](NC(=O)NC[C@@H]1NCCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000417992286 513322317 /nfs/dbraw/zinc/32/23/17/513322317.db2.gz WKFWGSKBRGBMAY-DYVFJYSZSA-N 0 3 354.410 2.842 20 5 FFBDHN C[C@@H]1CCCN(c2ccc(C(=O)N(C)C[C@@H]3CCCN3C)cc2[N+](=O)[O-])C1 ZINC000421706638 513378563 /nfs/dbraw/zinc/37/85/63/513378563.db2.gz VINZUDIPRDGDCW-WBVHZDCISA-N 0 3 374.485 2.997 20 5 FFBDHN CC(C)[C@@H](CNc1nccc2ccc([N+](=O)[O-])cc21)N1CCN(C)CC1 ZINC000413047352 513407539 /nfs/dbraw/zinc/40/75/39/513407539.db2.gz UZMRIXIKHQYFAI-GOSISDBHSA-N 0 3 357.458 2.827 20 5 FFBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415966440 513505924 /nfs/dbraw/zinc/50/59/24/513505924.db2.gz BXOPFLMWRHSCOU-UHFFFAOYSA-N 0 3 356.382 2.741 20 5 FFBDHN CN1C(=O)NCC12CCN(Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)CC2 ZINC000425373353 513533479 /nfs/dbraw/zinc/53/34/79/513533479.db2.gz PQBPJZUIIAMWTI-UHFFFAOYSA-N 0 3 370.409 2.844 20 5 FFBDHN C[C@@H](CN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)N1CCc2ccccc2C1 ZINC000447666381 513534473 /nfs/dbraw/zinc/53/44/73/513534473.db2.gz ASSZYQKAGXKSLO-ZDUSSCGKSA-N 0 3 351.410 2.752 20 5 FFBDHN O=[N+]([O-])c1cnc(NC[C@H]2CN(Cc3ccccc3)CCCO2)c(F)c1 ZINC000413256551 513551295 /nfs/dbraw/zinc/55/12/95/513551295.db2.gz CPANEVJDUYUOSJ-INIZCTEOSA-N 0 3 360.389 2.832 20 5 FFBDHN COc1ccc(-c2ccc(CNCC3([S@@](C)=O)CC3)o2)c([N+](=O)[O-])c1 ZINC000441386221 513558087 /nfs/dbraw/zinc/55/80/87/513558087.db2.gz WLNAKHNALZMCLG-RUZDIDTESA-N 0 3 364.423 2.864 20 5 FFBDHN CON1CCC(N(C)Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425492152 513598008 /nfs/dbraw/zinc/59/80/08/513598008.db2.gz MYQLSGMNWDMOPR-UHFFFAOYSA-N 0 3 358.236 2.815 20 5 FFBDHN O=[N+]([O-])c1cccc(F)c1CN[C@H](C1CCOCC1)C1(CO)CCC1 ZINC000425533251 513624996 /nfs/dbraw/zinc/62/49/96/513624996.db2.gz COHZUWYIQZVOBO-QGZVFWFLSA-N 0 3 352.406 2.781 20 5 FFBDHN Cc1cc(NCC(C)(C)C2(O)CCOCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000419013953 513717337 /nfs/dbraw/zinc/71/73/37/513717337.db2.gz HNUVQVYTPXNEKI-UHFFFAOYSA-N 0 3 359.426 2.853 20 5 FFBDHN CCCN1CCC(CNS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000416385627 513745184 /nfs/dbraw/zinc/74/51/84/513745184.db2.gz PTCDWXZGUCMWHY-UHFFFAOYSA-N 0 3 369.487 2.612 20 5 FFBDHN CO[C@@H]1[C@H](C)[C@@H](NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000451499102 513789734 /nfs/dbraw/zinc/78/97/34/513789734.db2.gz LMZCWCFTWHJHDR-DFKRKDTASA-N 0 3 355.822 2.836 20 5 FFBDHN C[C@H]1CN(CCCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCCO1 ZINC000436376325 513841481 /nfs/dbraw/zinc/84/14/81/513841481.db2.gz HHQQNZCJGLIBHY-NSHDSACASA-N 0 3 362.352 2.921 20 5 FFBDHN CC1CCN(C[C@H](O)CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000436386253 513842926 /nfs/dbraw/zinc/84/29/26/513842926.db2.gz JSUGJFJYARLEEQ-LLVKDONJSA-N 0 3 362.352 2.513 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C(C)(C)CN1CCCC1 ZINC000416658285 513892811 /nfs/dbraw/zinc/89/28/11/513892811.db2.gz FIHPMPLMAQNKFN-UHFFFAOYSA-N 0 3 369.487 2.652 20 5 FFBDHN C[C@@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000448814928 513912085 /nfs/dbraw/zinc/91/20/85/513912085.db2.gz XZENVGGUEXBBGG-HNNXBMFYSA-N 0 3 361.442 2.794 20 5 FFBDHN CCOc1ccc([C@H](C)NCCC(C)(C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000414253158 514023771 /nfs/dbraw/zinc/02/37/71/514023771.db2.gz IDFIXOGMERWBKP-LBPRGKRZSA-N 0 3 358.460 2.857 20 5 FFBDHN O=[N+]([O-])c1ccccc1CNC[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000443995409 514096223 /nfs/dbraw/zinc/09/62/23/514096223.db2.gz MZZOPJHXMFGJCX-LBPRGKRZSA-N 0 3 354.328 2.953 20 5 FFBDHN C[C@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])CCN1C1CCN(C)CC1 ZINC000432137540 514105021 /nfs/dbraw/zinc/10/50/21/514105021.db2.gz HUQPPVNGHFTVPR-ZDUSSCGKSA-N 0 3 352.866 2.853 20 5 FFBDHN Cc1cc(OCC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000432197216 514123000 /nfs/dbraw/zinc/12/30/00/514123000.db2.gz WUGCKPYXLHYLQJ-PXNSSMCTSA-N 0 3 369.421 2.844 20 5 FFBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000449360931 514178682 /nfs/dbraw/zinc/17/86/82/514178682.db2.gz VYINOTBBCBSYPL-UKRRQHHQSA-N 0 3 360.435 2.687 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3CCCCN3CCO)o2)cc1 ZINC000449389036 514191110 /nfs/dbraw/zinc/19/11/10/514191110.db2.gz BQGZXOMBOVSSHI-KRWDZBQOSA-N 0 3 359.426 2.791 20 5 FFBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000423649323 514192967 /nfs/dbraw/zinc/19/29/67/514192967.db2.gz HOZKNLWHVYGEGI-UHFFFAOYSA-N 0 3 357.366 2.728 20 5 FFBDHN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2NC2CCN(C)CC2)n1 ZINC000427457257 514223609 /nfs/dbraw/zinc/22/36/09/514223609.db2.gz TUBWQQGZMJOKTF-UHFFFAOYSA-N 0 3 372.429 2.570 20 5 FFBDHN CC(C)[C@@H](CO)[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)C ZINC000449504578 514231724 /nfs/dbraw/zinc/23/17/24/514231724.db2.gz AASFCZJKLNWWAT-SJORKVTESA-N 0 3 352.431 2.840 20 5 FFBDHN CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000449509631 514232934 /nfs/dbraw/zinc/23/29/34/514232934.db2.gz JIXLKXAWXNEUAQ-CVEARBPZSA-N 0 3 364.398 2.673 20 5 FFBDHN COC(=O)[C@@H]1CN(Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000449752401 514335651 /nfs/dbraw/zinc/33/56/51/514335651.db2.gz FLCCBPCRBFGKJY-DLBZAZTESA-N 0 3 370.405 2.992 20 5 FFBDHN N[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H]1c1cccc(F)c1 ZINC000424010948 514337771 /nfs/dbraw/zinc/33/77/71/514337771.db2.gz MCUOHBQFLXLAQF-ZWKOTPCHSA-N 0 3 357.385 2.620 20 5 FFBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000445086550 514409139 /nfs/dbraw/zinc/40/91/39/514409139.db2.gz TWDJIKKKTSQHGH-BETUJISGSA-N 0 3 374.445 2.533 20 5 FFBDHN CC[C@@H]1CCCCN1CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000445135657 514424440 /nfs/dbraw/zinc/42/44/40/514424440.db2.gz LRWOPIYREKXXLG-CYBMUJFWSA-N 0 3 374.445 2.535 20 5 FFBDHN COc1c(C(=O)N(CCN(C)C)Cc2ccsc2)cccc1[N+](=O)[O-] ZINC000458216376 514636092 /nfs/dbraw/zinc/63/60/92/514636092.db2.gz FVQZZCJNYLETMT-UHFFFAOYSA-N 0 3 363.439 2.869 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000466557843 514690665 /nfs/dbraw/zinc/69/06/65/514690665.db2.gz YOPRYVOXVJZJPB-RDTXWAMCSA-N 0 3 360.458 2.699 20 5 FFBDHN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC000508169253 514692817 /nfs/dbraw/zinc/69/28/17/514692817.db2.gz OZAXUCLGNKMQLZ-UHFFFAOYSA-N 0 3 372.473 2.949 20 5 FFBDHN CCCN(CCN1CCN(CC)CC1)c1cc(C)c([N+](=O)[O-])cc1F ZINC000461862513 514758639 /nfs/dbraw/zinc/75/86/39/514758639.db2.gz AUIJIDBBBFZQEQ-UHFFFAOYSA-N 0 3 352.454 2.896 20 5 FFBDHN Cc1cc(N2CCN(C3CCN(C)CC3)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000461937930 514797015 /nfs/dbraw/zinc/79/70/15/514797015.db2.gz WFKPXBHKUOHDFM-AWEZNQCLSA-N 0 3 350.438 2.647 20 5 FFBDHN Cc1cc(N2CCCN([C@@H](C)CO)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461943066 514798284 /nfs/dbraw/zinc/79/82/84/514798284.db2.gz WCSJEBFMSCOKSV-LBPRGKRZSA-N 0 3 361.364 2.815 20 5 FFBDHN COc1c(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000476060503 514903624 /nfs/dbraw/zinc/90/36/24/514903624.db2.gz FCLDASRVJYXQIC-INIZCTEOSA-N 0 3 369.421 2.998 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467214555 514942254 /nfs/dbraw/zinc/94/22/54/514942254.db2.gz CXSLRMOWDWETAC-MEBBXXQBSA-N 0 3 352.822 2.530 20 5 FFBDHN CC(C)CN1CCCC[C@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000489717054 514948977 /nfs/dbraw/zinc/94/89/77/514948977.db2.gz PTGWMEJLEIHEGJ-AWEZNQCLSA-N 0 3 363.414 2.564 20 5 FFBDHN CCN(C(=O)c1cc([N+](=O)[O-])nn1C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000476381875 515028636 /nfs/dbraw/zinc/02/86/36/515028636.db2.gz YEYXDRGEKZQOAK-GDBMZVCRSA-N 0 3 371.441 2.626 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC[NH+](C(C)C)C(C)C)c1C ZINC000481006848 515171261 /nfs/dbraw/zinc/17/12/61/515171261.db2.gz PVCCLKAQXYJKLO-UHFFFAOYSA-N 0 3 371.503 2.999 20 5 FFBDHN Cc1ccc(C)c(S(=O)(=O)NC[C@H](C)CN2CCCCC2)c1[N+](=O)[O-] ZINC000481050965 515188094 /nfs/dbraw/zinc/18/80/94/515188094.db2.gz BIKZGVKNFRALDR-ZDUSSCGKSA-N 0 3 369.487 2.612 20 5 FFBDHN COC(=O)C1CCN(CCCNc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000509559926 515232595 /nfs/dbraw/zinc/23/25/95/515232595.db2.gz WDDNUPVTHKRERA-UHFFFAOYSA-N 0 3 355.822 2.935 20 5 FFBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000462780258 515239523 /nfs/dbraw/zinc/23/95/23/515239523.db2.gz VTPXUPRDQHPBBD-QAPCUYQASA-N 0 3 365.499 2.717 20 5 FFBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000462780254 515240073 /nfs/dbraw/zinc/24/00/73/515240073.db2.gz VTPXUPRDQHPBBD-MAUKXSAKSA-N 0 3 365.499 2.717 20 5 FFBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000468483329 515380181 /nfs/dbraw/zinc/38/01/81/515380181.db2.gz JWKGTNNGYXWMLT-KRWDZBQOSA-N 0 3 371.441 2.631 20 5 FFBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000468695375 515475112 /nfs/dbraw/zinc/47/51/12/515475112.db2.gz SFIGHURGNOPWPS-DZGCQCFKSA-N 0 3 354.410 2.742 20 5 FFBDHN COc1cc(CNCC2(CO)CCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000473064859 515495297 /nfs/dbraw/zinc/49/52/97/515495297.db2.gz DJDPHHPYKXGWOK-UHFFFAOYSA-N 0 3 374.384 2.890 20 5 FFBDHN CN(C)CCOC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000482050912 515558187 /nfs/dbraw/zinc/55/81/87/515558187.db2.gz QKDWBOFWHCYXHQ-UHFFFAOYSA-N 0 3 370.837 2.823 20 5 FFBDHN C[C@@H](NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000482073732 515566844 /nfs/dbraw/zinc/56/68/44/515566844.db2.gz GNZYDGPAIGQGET-BLVKFPJESA-N 0 3 368.393 2.500 20 5 FFBDHN CC1CCC(N2CCN(C(=O)CN(C)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000463712289 515590302 /nfs/dbraw/zinc/59/03/02/515590302.db2.gz VBPZHBGCOABDHH-UHFFFAOYSA-N 0 3 374.485 2.754 20 5 FFBDHN CC1(C)CCCN1CCNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000457063555 515617956 /nfs/dbraw/zinc/61/79/56/515617956.db2.gz WCUMLLIHYFGTPV-UHFFFAOYSA-N 0 3 372.425 2.512 20 5 FFBDHN CN(C)CCN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000505658469 515625552 /nfs/dbraw/zinc/62/55/52/515625552.db2.gz IVLSDZLNDFXYPW-UHFFFAOYSA-N 0 3 360.439 2.885 20 5 FFBDHN Cc1c(Br)cc(C(=O)N(CCN(C)C)C2CC2)cc1[N+](=O)[O-] ZINC000505682942 515632748 /nfs/dbraw/zinc/63/27/48/515632748.db2.gz ULURQSYQKRZLJE-UHFFFAOYSA-N 0 3 370.247 2.832 20 5 FFBDHN COc1cc(CN[C@@H]2CCO[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493763614 515662343 /nfs/dbraw/zinc/66/23/43/515662343.db2.gz IJUXXWBMPHHFRF-ZYHUDNBSSA-N 0 3 360.357 2.904 20 5 FFBDHN CN(C)CCOc1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000500314417 515664344 /nfs/dbraw/zinc/66/43/44/515664344.db2.gz GOJFQLMNZVDTCR-UHFFFAOYSA-N 0 3 359.382 2.553 20 5 FFBDHN C[C@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N(C)C ZINC000494244586 515782107 /nfs/dbraw/zinc/78/21/07/515782107.db2.gz KACKDYLQDNUNMI-CQSZACIVSA-N 0 3 357.410 2.854 20 5 FFBDHN O=C(CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Nc1cccnc1 ZINC000478381739 515800759 /nfs/dbraw/zinc/80/07/59/515800759.db2.gz WBGKCTHBYQJRKU-UHFFFAOYSA-N 0 3 370.409 2.862 20 5 FFBDHN CCC(CC)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)N(C)C ZINC000473950947 515815936 /nfs/dbraw/zinc/81/59/36/515815936.db2.gz NAHSFGJWAZRFQD-INIZCTEOSA-N 0 3 357.476 2.548 20 5 FFBDHN CCc1ccc(C(=O)N2CCN(c3ccncc3OC)CC2)cc1[N+](=O)[O-] ZINC000478439284 515822256 /nfs/dbraw/zinc/82/22/56/515822256.db2.gz QBKVNVLAMOPBAJ-UHFFFAOYSA-N 0 3 370.409 2.523 20 5 FFBDHN C[C@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCCC[C@H]1C ZINC000478591620 515884351 /nfs/dbraw/zinc/88/43/51/515884351.db2.gz ONRVRCBUKKZGNW-HUUCEWRRSA-N 0 3 371.441 2.773 20 5 FFBDHN C[C@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCCC[C@@H]1C ZINC000478591621 515884823 /nfs/dbraw/zinc/88/48/23/515884823.db2.gz ONRVRCBUKKZGNW-LSDHHAIUSA-N 0 3 371.441 2.773 20 5 FFBDHN CC(C)c1ccc(C(=O)NCCCN2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000470106796 516121851 /nfs/dbraw/zinc/12/18/51/516121851.db2.gz VYFDZSPCLWNXIX-OAHLLOKOSA-N 0 3 363.458 2.949 20 5 FFBDHN CC(C)[C@@H]1CCC[C@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000474706879 516164416 /nfs/dbraw/zinc/16/44/16/516164416.db2.gz ILDRQNGZHDOSMS-CABCVRRESA-N 0 3 369.487 2.678 20 5 FFBDHN Cn1c(C(=O)NCc2ccccc2CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000496520225 516266565 /nfs/dbraw/zinc/26/65/65/516266565.db2.gz OUIFGMLJMSAHSE-UHFFFAOYSA-N 0 3 356.426 2.849 20 5 FFBDHN CN(C)C[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1 ZINC000554655971 516571494 /nfs/dbraw/zinc/57/14/94/516571494.db2.gz SSOLVJLNTWXLFL-MRXNPFEDSA-N 0 3 371.372 2.643 20 5 FFBDHN C[C@@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCN(C2CCC2)C1 ZINC000561534333 516637047 /nfs/dbraw/zinc/63/70/47/516637047.db2.gz KLYMOTJFNDUFSS-LBPRGKRZSA-N 0 3 367.396 2.748 20 5 FFBDHN COc1cc(CN[C@@](C)(CO)C(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000554976419 516729696 /nfs/dbraw/zinc/72/96/96/516729696.db2.gz UZDSQYMXXFTKHU-INIZCTEOSA-N 0 3 362.373 2.744 20 5 FFBDHN C[C@H]1C[C@H]1N1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000561746995 516744814 /nfs/dbraw/zinc/74/48/14/516744814.db2.gz QTPOWGAQKYPWDL-TXPKVOOTSA-N 0 3 374.485 2.976 20 5 FFBDHN CC(C)(NCCN1C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000514154712 516883624 /nfs/dbraw/zinc/88/36/24/516883624.db2.gz XENYJFJNGRSNBA-UHFFFAOYSA-N 0 3 353.378 2.716 20 5 FFBDHN CCN(CC)[C@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])CC(C)C ZINC000544714057 516890290 /nfs/dbraw/zinc/89/02/90/516890290.db2.gz YXNVLHPICQBACD-INIZCTEOSA-N 0 3 371.503 2.771 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C ZINC000551935162 516969449 /nfs/dbraw/zinc/96/94/49/516969449.db2.gz MAJYEUANLWLJIZ-URKNILKWSA-N 0 3 371.441 2.649 20 5 FFBDHN COc1ccc(C2(NC[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000541326170 516990997 /nfs/dbraw/zinc/99/09/97/516990997.db2.gz RNIBDDFFDWKNFY-HNNXBMFYSA-N 0 3 358.394 2.622 20 5 FFBDHN CS[C@@H]1CN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1N1CCCC1 ZINC000562403372 517083260 /nfs/dbraw/zinc/08/32/60/517083260.db2.gz IASUYBDCAIMDSK-RRQGHBQHSA-N 0 3 363.483 2.737 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](CC(C)C)CN(C)C)c1 ZINC000537315948 517141199 /nfs/dbraw/zinc/14/11/99/517141199.db2.gz YHPWMTOUMWCDOD-HNNXBMFYSA-N 0 3 351.447 2.765 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)n1 ZINC000541935029 517299215 /nfs/dbraw/zinc/29/92/15/517299215.db2.gz HKEODWNFEOMPIZ-MSOLQXFVSA-N 0 3 370.453 2.902 20 5 FFBDHN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000520309546 517339020 /nfs/dbraw/zinc/33/90/20/517339020.db2.gz OXKZCGUFGUJEGH-UHFFFAOYSA-N 0 3 374.466 2.777 20 5 FFBDHN Cc1cc(C(=O)N(C)CCCN(C)Cc2ccncc2)cc([N+](=O)[O-])c1 ZINC000520384214 517370829 /nfs/dbraw/zinc/37/08/29/517370829.db2.gz TXKOGDYFSNSTGP-UHFFFAOYSA-N 0 3 356.426 2.892 20 5 FFBDHN CCOc1ccc([C@H](C)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000537984516 517425163 /nfs/dbraw/zinc/42/51/63/517425163.db2.gz XRQAKEZRYUZVEX-QEJZJMRPSA-N 0 3 370.471 3.000 20 5 FFBDHN CCOc1ccc([C@H](C)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000537984513 517425384 /nfs/dbraw/zinc/42/53/84/517425384.db2.gz XRQAKEZRYUZVEX-AEGPPILISA-N 0 3 370.471 3.000 20 5 FFBDHN COc1cc(CNCCN2CCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000533563226 517527187 /nfs/dbraw/zinc/52/71/87/517527187.db2.gz CBRDWZLCQVHVBT-UHFFFAOYSA-N 0 3 371.437 2.978 20 5 FFBDHN CC(C)C[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)NCCN(C)C ZINC000533910781 517664929 /nfs/dbraw/zinc/66/49/29/517664929.db2.gz NFAZZYFKWJOPLF-HNNXBMFYSA-N 0 3 356.854 2.753 20 5 FFBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCCN(C)Cc1ccco1 ZINC000556882773 517726509 /nfs/dbraw/zinc/72/65/09/517726509.db2.gz CRSGCBJLHLNRHD-HNNXBMFYSA-N 0 3 374.441 2.969 20 5 FFBDHN CCCCO[C@@H]1C[C@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000534178486 517773387 /nfs/dbraw/zinc/77/33/87/517773387.db2.gz VBGXZRHKKNXPOD-JKSUJKDBSA-N 0 3 351.447 2.672 20 5 FFBDHN CCN(CCN1CCCCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000553547834 517773736 /nfs/dbraw/zinc/77/37/36/517773736.db2.gz NZNSCACRSYTXMR-UHFFFAOYSA-N 0 3 369.487 2.790 20 5 FFBDHN CCN(CCN1CCCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000553552286 517778814 /nfs/dbraw/zinc/77/88/14/517778814.db2.gz ZWLCQOUTNXZCKU-UHFFFAOYSA-N 0 3 369.487 2.790 20 5 FFBDHN CC(C)C[C@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)N(C)C ZINC000542903314 517805956 /nfs/dbraw/zinc/80/59/56/517805956.db2.gz XFVBRGZAYHJKKI-GFCCVEGCSA-N 0 3 359.373 2.902 20 5 FFBDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccc([N+](=O)[O-])cn3)c2)CC1 ZINC000534335425 517856653 /nfs/dbraw/zinc/85/66/53/517856653.db2.gz OXNRTYHCFGYKQR-UHFFFAOYSA-N 0 3 369.425 2.773 20 5 FFBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H](C)C1 ZINC000553783337 517902109 /nfs/dbraw/zinc/90/21/09/517902109.db2.gz OZMWPIGUTHHVIB-IQUTYRLHSA-N 0 3 370.453 2.807 20 5 FFBDHN Cn1c(C(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)ccc1[N+](=O)[O-] ZINC000560768729 518014637 /nfs/dbraw/zinc/01/46/37/518014637.db2.gz MACZYZKRFKYZBS-FQEVSTJZSA-N 0 3 368.437 2.672 20 5 FFBDHN COc1cc(CNCCc2cnc(C3CC3)nc2)c([N+](=O)[O-])cc1OC ZINC000539520286 518087498 /nfs/dbraw/zinc/08/74/98/518087498.db2.gz DWWYHHNEXHVPTM-UHFFFAOYSA-N 0 3 358.398 2.612 20 5 FFBDHN COC(=O)C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000543460418 518104833 /nfs/dbraw/zinc/10/48/33/518104833.db2.gz LYFYTNZSSTXAJN-HNNXBMFYSA-N 0 3 363.414 2.635 20 5 FFBDHN COC1CCN(C(C)(C)CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000517418985 518145076 /nfs/dbraw/zinc/14/50/76/518145076.db2.gz WMBQNRBCRKARBJ-UHFFFAOYSA-N 0 3 364.446 2.914 20 5 FFBDHN CN(C)CCSCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000535255794 518170783 /nfs/dbraw/zinc/17/07/83/518170783.db2.gz VHQVDGBFHPOJEH-UHFFFAOYSA-N 0 3 362.249 2.591 20 5 FFBDHN COc1cc(C(=O)Nc2ccccc2CN(C)C)cc([N+](=O)[O-])c1OC ZINC000581342408 518237457 /nfs/dbraw/zinc/23/74/57/518237457.db2.gz OARQPPNQDMBLAJ-UHFFFAOYSA-N 0 3 359.382 2.926 20 5 FFBDHN C[C@]1(NC(=O)CNc2ccccc2[N+](=O)[O-])CCN(Cc2ccccc2)C1 ZINC000581436304 518284452 /nfs/dbraw/zinc/28/44/52/518284452.db2.gz YGGDNNYVJSARLX-FQEVSTJZSA-N 0 3 368.437 2.788 20 5 FFBDHN CCC[N@H+](CC)C[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000581718863 518423738 /nfs/dbraw/zinc/42/37/38/518423738.db2.gz JKYJYOGFFOFIRB-NSHDSACASA-N 0 3 363.867 2.647 20 5 FFBDHN CCC[N@@H+](CC)C[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000581718863 518423741 /nfs/dbraw/zinc/42/37/41/518423741.db2.gz JKYJYOGFFOFIRB-NSHDSACASA-N 0 3 363.867 2.647 20 5 FFBDHN COc1cccc(C(=O)NCCN[C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000581893814 518491078 /nfs/dbraw/zinc/49/10/78/518491078.db2.gz BAUFQFJQIXUNJB-QGZVFWFLSA-N 0 3 355.394 2.610 20 5 FFBDHN CC1=C[C@H](C)C[C@@H](CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000564579907 518511755 /nfs/dbraw/zinc/51/17/55/518511755.db2.gz WOKVOKJKHWFERN-DZGCQCFKSA-N 0 3 352.456 2.951 20 5 FFBDHN CN(C)[C@H](CNCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000576293024 518521226 /nfs/dbraw/zinc/52/12/26/518521226.db2.gz FDGRWCWTADEZRI-MRXNPFEDSA-N 0 3 362.455 2.877 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H]2C[C@H]2c2c(F)cccc2F)c1 ZINC000564863687 518661842 /nfs/dbraw/zinc/66/18/42/518661842.db2.gz LNGWFZDPAHSZDH-SUYBPPKGSA-N 0 3 364.348 2.758 20 5 FFBDHN CCN1CC[C@H]2OCCN(Cc3cc([N+](=O)[O-])ccc3OC(C)C)[C@H]2C1 ZINC000573737050 518812282 /nfs/dbraw/zinc/81/22/82/518812282.db2.gz ZYFGMCFITNJMJT-PKOBYXMFSA-N 0 3 363.458 2.677 20 5 FFBDHN C[C@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N1[C@H](C)CC[C@@H]1C ZINC000576915290 518823681 /nfs/dbraw/zinc/82/36/81/518823681.db2.gz LWRNHPQRALITKB-HZSPNIEDSA-N 0 3 358.442 2.996 20 5 FFBDHN CC(=O)N1C[C@@H]2CCC[C@@H](NCc3c(Cl)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000588979413 518887583 /nfs/dbraw/zinc/88/75/83/518887583.db2.gz RSNAEOZNOMPZQB-DUVNUKRYSA-N 0 3 351.834 2.985 20 5 FFBDHN C[C@@H](C(=O)NC[C@H](Cc1ccccc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000577042847 518887937 /nfs/dbraw/zinc/88/79/37/518887937.db2.gz CFGMNKFZYJHLBF-BEFAXECRSA-N 0 3 355.438 2.987 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000565389717 518928759 /nfs/dbraw/zinc/92/87/59/518928759.db2.gz ALIWVOPKTJMAON-XLIONFOSSA-N 0 3 368.437 2.877 20 5 FFBDHN CC(=O)NCCN(Cc1ccc(C)c([N+](=O)[O-])c1)C1CCSCC1 ZINC000565552435 519014737 /nfs/dbraw/zinc/01/47/37/519014737.db2.gz SGJSVJYVVOATFW-UHFFFAOYSA-N 0 3 351.472 2.737 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)ccc1CCNCCS(=O)(=O)c1ccccc1 ZINC000568385164 519014909 /nfs/dbraw/zinc/01/49/09/519014909.db2.gz PSBBFWPPRLFGKM-UHFFFAOYSA-N 0 3 368.842 2.854 20 5 FFBDHN C[C@H](C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000577338971 519028308 /nfs/dbraw/zinc/02/83/08/519028308.db2.gz FKVNDYPICYXYEN-IFXJQAMLSA-N 0 3 369.421 2.904 20 5 FFBDHN CN1CCN(c2ncccc2CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000565844567 519160175 /nfs/dbraw/zinc/16/01/75/519160175.db2.gz XUOGPHWZDCLTGN-GOSISDBHSA-N 0 3 367.453 2.519 20 5 FFBDHN O=[N+]([O-])c1ccc(CN[C@@H](C2CC2)C2(CO)CCOCC2)c(Cl)c1 ZINC000590378373 519210989 /nfs/dbraw/zinc/21/09/89/519210989.db2.gz GPYALAZFPICTBM-INIZCTEOSA-N 0 3 354.834 2.906 20 5 FFBDHN CC1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)Cc2ccccc2C1 ZINC000574565268 519218206 /nfs/dbraw/zinc/21/82/06/519218206.db2.gz NXSQTGSIJQVGKL-UHFFFAOYSA-N 0 3 374.462 2.763 20 5 FFBDHN CCN1CCN(CCCN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000566345469 519444971 /nfs/dbraw/zinc/44/49/71/519444971.db2.gz HCVIZKUOFNNFPA-MRXNPFEDSA-N 0 3 374.407 2.815 20 5 FFBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCc2c1cnn2C ZINC000591019690 519479846 /nfs/dbraw/zinc/47/98/46/519479846.db2.gz VLYYUYFSSMNPQE-INIZCTEOSA-N 0 3 357.414 2.666 20 5 FFBDHN C[C@H]1CCCN(CCNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000569444337 519552732 /nfs/dbraw/zinc/55/27/32/519552732.db2.gz IOKJFQDGQWCWCT-AWEZNQCLSA-N 0 3 373.457 2.650 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000602924885 519976585 /nfs/dbraw/zinc/97/65/85/519976585.db2.gz JVJGEXVYWHZVLR-CQSZACIVSA-N 0 3 356.785 2.606 20 5 FFBDHN CCC(C)(C)N1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)CC1 ZINC000594472699 519982155 /nfs/dbraw/zinc/98/21/55/519982155.db2.gz KTTQIKHXLGZDLB-UHFFFAOYSA-N 0 3 358.446 2.701 20 5 FFBDHN CC[C@@H](CN1CCCC1)Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000594556933 520026064 /nfs/dbraw/zinc/02/60/64/520026064.db2.gz WTDCARXZLVUKTD-AWEZNQCLSA-N 0 3 366.437 2.857 20 5 FFBDHN COc1cccc([N+](=O)[O-])c1N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000594569891 520032958 /nfs/dbraw/zinc/03/29/58/520032958.db2.gz LDTPCNJMCPBNQK-UHFFFAOYSA-N 0 3 362.474 2.598 20 5 FFBDHN CCC(C)(C)N1CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000594610823 520054826 /nfs/dbraw/zinc/05/48/26/520054826.db2.gz DRWAMVJMZZCTOD-UHFFFAOYSA-N 0 3 351.447 2.918 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CN(C)C[C@H]2c2ccccc2)n1 ZINC000591987504 520121948 /nfs/dbraw/zinc/12/19/48/520121948.db2.gz YLQGTZRYAVFUBT-CABCVRRESA-N 0 3 370.409 2.534 20 5 FFBDHN CCN(C)C(=O)CCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130650 520206135 /nfs/dbraw/zinc/20/61/35/520206135.db2.gz HKMYQYGUAPRSKG-QAQDUYKDSA-N 0 3 363.458 2.569 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H]1CCCN(c2cc(C)nn2C)C1 ZINC000595048916 520269637 /nfs/dbraw/zinc/26/96/37/520269637.db2.gz SOAVRWJSEQQQME-CABCVRRESA-N 0 3 373.457 2.965 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](CO)[C@@H]1CCC[C@H](OC)C1 ZINC000595061411 520273884 /nfs/dbraw/zinc/27/38/84/520273884.db2.gz KTWDIADVLYUMQW-UICACZKSSA-N 0 3 352.431 2.820 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2CCN2C2CCCC2)c1 ZINC000600473989 520281705 /nfs/dbraw/zinc/28/17/05/520281705.db2.gz VZLYACFLVRAPIV-INIZCTEOSA-N 0 3 361.442 2.805 20 5 FFBDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000597859850 520287254 /nfs/dbraw/zinc/28/72/54/520287254.db2.gz ZHVDPBYXTQVAIT-NSHDSACASA-N 0 3 357.357 2.799 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000609509299 520337162 /nfs/dbraw/zinc/33/71/62/520337162.db2.gz NMUUMCBCYDROIU-SMDDNHRTSA-N 0 3 367.833 2.711 20 5 FFBDHN CCN(C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000597943953 520342738 /nfs/dbraw/zinc/34/27/38/520342738.db2.gz BDTJCIOQKKMUDW-KRWDZBQOSA-N 0 3 374.485 2.997 20 5 FFBDHN Cc1cccc(C(=O)N2CC[C@H](c3cccc(F)c3)[C@H](N)C2)c1[N+](=O)[O-] ZINC000595224337 520359870 /nfs/dbraw/zinc/35/98/70/520359870.db2.gz DCBKELVPQJSBLR-NVXWUHKLSA-N 0 3 357.385 2.999 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)c1 ZINC000595256123 520375020 /nfs/dbraw/zinc/37/50/20/520375020.db2.gz BDHYSHWBSNEDOR-KRWDZBQOSA-N 0 3 357.366 2.517 20 5 FFBDHN N[C@@H]1CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC[C@H]1F ZINC000595260694 520376044 /nfs/dbraw/zinc/37/60/44/520376044.db2.gz IYVGHXSHWOTASD-HZPDHXFCSA-N 0 3 372.400 2.718 20 5 FFBDHN CN(C)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])n2C)cc1Cl ZINC000609738629 520417523 /nfs/dbraw/zinc/41/75/23/520417523.db2.gz XJRUYAQFWHASSM-UHFFFAOYSA-N 0 3 366.805 2.779 20 5 FFBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCCN1C[C@@H](C)C[C@H](C)C1 ZINC000603983590 520422754 /nfs/dbraw/zinc/42/27/54/520422754.db2.gz ZJULWDFLJVDNPK-KBPBESRZSA-N 0 3 369.487 2.550 20 5 FFBDHN CCOc1cc(N2CCN(C[C@H](OC)C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000595463638 520487292 /nfs/dbraw/zinc/48/72/92/520487292.db2.gz BICADOCOZFUCDD-IBGZPJMESA-N 0 3 363.458 2.931 20 5 FFBDHN O=[N+]([O-])c1cnc(NC[C@]2(O)CCN(Cc3ccccc3)C2)c(Cl)c1 ZINC000610160527 520564469 /nfs/dbraw/zinc/56/44/69/520564469.db2.gz VGFSIGKVLNXNSB-QGZVFWFLSA-N 0 3 362.817 2.692 20 5 FFBDHN O=[N+]([O-])c1cnc(NC[C@@]2(O)CCN(Cc3ccccc3)C2)c(Cl)c1 ZINC000610160526 520565168 /nfs/dbraw/zinc/56/51/68/520565168.db2.gz VGFSIGKVLNXNSB-KRWDZBQOSA-N 0 3 362.817 2.692 20 5 FFBDHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCCC[C@H](N2CCCC2)C1 ZINC000601115786 520644378 /nfs/dbraw/zinc/64/43/78/520644378.db2.gz KNQVTKMJIAZQPY-NSHDSACASA-N 0 3 361.368 2.802 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@](C)(CO)C2CCCCC2)c1 ZINC000593014351 520684148 /nfs/dbraw/zinc/68/41/48/520684148.db2.gz JBSUYIYZVWHWOD-GOSISDBHSA-N 0 3 350.415 2.802 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@]2(C)CCCC[C@H]2C(=O)OC)c1 ZINC000593019872 520687482 /nfs/dbraw/zinc/68/74/82/520687482.db2.gz RRWIVFLRUNGJQT-KSSFIOAISA-N 0 3 364.398 2.593 20 5 FFBDHN CN(c1ccccc1)[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000595825993 520749419 /nfs/dbraw/zinc/74/94/19/520749419.db2.gz ISXBZKSCJCCYFA-QZTJIDSGSA-N 0 3 371.437 2.545 20 5 FFBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCC1CCN(c2ccncc2)CC1 ZINC000593115093 520756270 /nfs/dbraw/zinc/75/62/70/520756270.db2.gz HNZADCXXGHKRJI-UHFFFAOYSA-N 0 3 372.400 2.704 20 5 FFBDHN COc1ccccc1N1CC[C@H](NCCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000610682033 520794913 /nfs/dbraw/zinc/79/49/13/520794913.db2.gz DUFXNBPRYBOIBS-INIZCTEOSA-N 0 3 355.394 2.541 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](OCCN3CCCCC3)C2)c1 ZINC000610886921 520893832 /nfs/dbraw/zinc/89/38/32/520893832.db2.gz HZWJUOWDZRAUPQ-INIZCTEOSA-N 0 3 361.442 2.620 20 5 FFBDHN NC(=O)c1cc(NC[C@H]2CCCN2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000596129517 520930394 /nfs/dbraw/zinc/93/03/94/520930394.db2.gz QRWALBJLUAMQPK-MRXNPFEDSA-N 0 3 354.410 2.770 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000610995344 520936078 /nfs/dbraw/zinc/93/60/78/520936078.db2.gz VMHXCINQZRTMNV-RDJZCZTQSA-N 0 3 372.469 2.790 20 5 FFBDHN CN(C)[C@H]1CCOc2c(Nc3ccc([N+](=O)[O-])c(C(N)=O)c3)cccc21 ZINC000596214416 520976215 /nfs/dbraw/zinc/97/62/15/520976215.db2.gz GGXWMMCIXZKPCV-HNNXBMFYSA-N 0 3 356.382 2.823 20 5 FFBDHN CC(C)[C@@H](CNc1ccc2cnccc2c1[N+](=O)[O-])N1CCN(C)CC1 ZINC000599022442 520984987 /nfs/dbraw/zinc/98/49/87/520984987.db2.gz KUPIMGKBLUXJHM-GOSISDBHSA-N 0 3 357.458 2.827 20 5 FFBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCN1C1CCCCC1 ZINC000599021172 520986131 /nfs/dbraw/zinc/98/61/31/520986131.db2.gz SEPUVXNDGFCWTD-GOSISDBHSA-N 0 3 360.458 2.844 20 5 FFBDHN COc1ccc(NC(=O)CNc2cccc(CN(C)C)c2)c([N+](=O)[O-])c1 ZINC000601929699 521032357 /nfs/dbraw/zinc/03/23/57/521032357.db2.gz AKCYVXHOSLBHDC-UHFFFAOYSA-N 0 3 358.398 2.716 20 5 FFBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCc2cccc(CN)c21 ZINC000599105475 521034539 /nfs/dbraw/zinc/03/45/39/521034539.db2.gz ZUFPXPGXISCGBB-UHFFFAOYSA-N 0 3 361.423 2.503 20 5 FFBDHN Cn1ccnc1C(=O)c1ccc(NC[C@@H]2CCCCN(C)C2)c([N+](=O)[O-])c1 ZINC000599138645 521049981 /nfs/dbraw/zinc/04/99/81/521049981.db2.gz IIDYATCRAIOSOC-AWEZNQCLSA-N 0 3 371.441 2.703 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCCN(C[C@@H]3CCCO3)CC2)cc1OC(F)F ZINC000611296514 521086948 /nfs/dbraw/zinc/08/69/48/521086948.db2.gz DWHMAXSQUOWSNV-AWEZNQCLSA-N 0 3 371.384 2.887 20 5 FFBDHN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCC2CCN(CC3CC3)CC2)s1 ZINC000596562746 521132601 /nfs/dbraw/zinc/13/26/01/521132601.db2.gz PXWDLHGSGDDUGN-UHFFFAOYSA-N 0 3 373.500 2.594 20 5 FFBDHN Cc1ccc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000596620726 521169203 /nfs/dbraw/zinc/16/92/03/521169203.db2.gz PWRNXDJLGRSFQU-VXGBXAGGSA-N 0 3 362.304 2.826 20 5 FFBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599512064 521268121 /nfs/dbraw/zinc/26/81/21/521268121.db2.gz YEVZPAMDYKCQJU-NSHDSACASA-N 0 3 370.247 2.771 20 5 FFBDHN O=C(NCc1ccc2c(c1)CNC2)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602486686 521375944 /nfs/dbraw/zinc/37/59/44/521375944.db2.gz GQPSQEWVRZJVER-UHFFFAOYSA-N 0 3 351.406 2.936 20 5 FFBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594198140 521464831 /nfs/dbraw/zinc/46/48/31/521464831.db2.gz SJRNZFFUGYKQCH-HZPDHXFCSA-N 0 3 351.834 2.924 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H]1c1ccc(O)cc1 ZINC000612094694 521477661 /nfs/dbraw/zinc/47/76/61/521477661.db2.gz RDOLKPSJLCNFGU-DLBZAZTESA-N 0 3 358.394 2.877 20 5 FFBDHN O=[N+]([O-])c1cc(CNC[C@@H]2CNc3ccnn3C2)cc(C(F)(F)F)c1 ZINC000619264494 521481291 /nfs/dbraw/zinc/48/12/91/521481291.db2.gz GYZLLIILTRDOAZ-LLVKDONJSA-N 0 3 355.320 2.642 20 5 FFBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cccc4c3CCOC4)C2)nc1 ZINC000602794758 521535816 /nfs/dbraw/zinc/53/58/16/521535816.db2.gz OXVAXHNQCYHCSP-MRXNPFEDSA-N 0 3 354.410 2.749 20 5 FFBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594284289 521536221 /nfs/dbraw/zinc/53/62/21/521536221.db2.gz UXLCAVWDTNONJK-MSOLQXFVSA-N 0 3 360.458 2.796 20 5 FFBDHN COc1ccccc1COC1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602796956 521539025 /nfs/dbraw/zinc/53/90/25/521539025.db2.gz GRTTVEBPCFUYHE-UHFFFAOYSA-N 0 3 374.441 2.790 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCN2CCCC(C)(C)C2)c1 ZINC000619584091 521783605 /nfs/dbraw/zinc/78/36/05/521783605.db2.gz YGHIJNKTNVANAX-UHFFFAOYSA-N 0 3 363.458 2.910 20 5 FFBDHN O=[N+]([O-])c1ccc(C[NH2+]CCSCc2ccccc2-c2nn[n-]n2)cc1 ZINC000738358251 598361268 /nfs/dbraw/zinc/36/12/68/598361268.db2.gz CYQYJIYCGNDGSK-UHFFFAOYSA-N 0 3 370.438 2.798 20 5 FFBDHN O=[N+]([O-])c1cc(NC[C@@H](c2ccco2)[NH+]2CCCC2)ccc1-c1nnn[n-]1 ZINC000823634755 606645352 /nfs/dbraw/zinc/64/53/52/606645352.db2.gz LRBGUNNQQUOEFK-HNNXBMFYSA-N 0 3 369.385 2.617 20 5 FFBDHN C[C@H]([NH2+]CCCOc1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000824592240 608468462 /nfs/dbraw/zinc/46/84/62/608468462.db2.gz KSUTWTASVXRPKZ-ZDUSSCGKSA-N 0 3 368.397 2.895 20 5 FFBDHN C[C@H]([NH2+]CCCOc1cccc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000824592240 608468463 /nfs/dbraw/zinc/46/84/63/608468463.db2.gz KSUTWTASVXRPKZ-ZDUSSCGKSA-N 0 3 368.397 2.895 20 5 FFBDHN Cc1ccnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164899728 721520948 /nfs/dbraw/zinc/52/09/48/721520948.db2.gz LYRBLYQERJPRDH-RDJZCZTQSA-N 0 3 372.400 2.779 20 5 FFBDHN O=[N+]([O-])c1ccc(Cl)cc1CN1CCCN(C[C@@H]2CCCO2)CC1 ZINC000746671948 735503473 /nfs/dbraw/zinc/50/34/73/735503473.db2.gz CQITUZMFUPZIBT-INIZCTEOSA-N 0 3 353.850 2.935 20 5 FFBDHN CCN(CC)CCN(CC(C)C)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119541792 728596152 /nfs/dbraw/zinc/59/61/52/728596152.db2.gz BVOBLHJTDZPELD-UHFFFAOYSA-N 0 3 363.505 2.645 20 5 FFBDHN CCC(CC)(CNCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)OC ZINC000120732721 728614668 /nfs/dbraw/zinc/61/46/68/728614668.db2.gz LQWTXFKSQRBNLJ-UHFFFAOYSA-N 0 3 371.821 2.756 20 5 FFBDHN CCO[C@@H]1COCC[C@@H]1NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000759172966 736552761 /nfs/dbraw/zinc/55/27/61/736552761.db2.gz KRRQKJDJVRBZFK-GXTWGEPZSA-N 0 3 359.220 2.641 20 5 FFBDHN COCCN1CCC[C@H]1COC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000861037624 730569609 /nfs/dbraw/zinc/56/96/09/730569609.db2.gz CLZJGAKXKUGHPD-AWEZNQCLSA-N 0 3 350.415 2.526 20 5 FFBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1CCCS(=O)(=O)C1 ZINC000872071873 731726958 /nfs/dbraw/zinc/72/69/58/731726958.db2.gz YZYPXAFFRXTVCF-VXGBXAGGSA-N 0 3 358.485 2.792 20 5 FFBDHN C[C@H](Cc1cnccn1)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000876977183 732305992 /nfs/dbraw/zinc/30/59/92/732305992.db2.gz WKCJWCJNCFMFJJ-MRVPVSSYSA-N 0 3 357.233 2.930 20 5 FFBDHN CCON1CCC(NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000926850359 738661195 /nfs/dbraw/zinc/66/11/95/738661195.db2.gz QLEDCRRBNRIGBR-UHFFFAOYSA-N 0 3 358.236 2.863 20 5 FFBDHN O=C(CN[C@@H](CO)C1CCCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000782086657 738687365 /nfs/dbraw/zinc/68/73/65/738687365.db2.gz XTAIAEAZZVKRBA-AWEZNQCLSA-N 0 3 355.822 2.718 20 5 FFBDHN CCOc1ccc([C@H](C)NCC[C@H]2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000883306997 733365586 /nfs/dbraw/zinc/36/55/86/733365586.db2.gz JYPNGSGVNYGXML-GXTWGEPZSA-N 0 3 356.444 2.611 20 5 FFBDHN CC1(C)CCN(CCNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000890068330 734261219 /nfs/dbraw/zinc/26/12/19/734261219.db2.gz NLQOPJMSOBILDJ-UHFFFAOYSA-N 0 3 370.247 2.819 20 5 FFBDHN COc1c(O)ccc(CNC[C@@H]2CC[C@@H](C(F)(F)F)O2)c1[N+](=O)[O-] ZINC000896280673 735131199 /nfs/dbraw/zinc/13/11/99/735131199.db2.gz QFODOQBWZVIMGF-ONGXEEELSA-N 0 3 350.293 2.509 20 5 FFBDHN CN1C[C@@H]2CCN(C(=O)c3cc(F)c(Cl)c([N+](=O)[O-])c3Cl)[C@@H]2C1 ZINC000897826190 735280999 /nfs/dbraw/zinc/28/09/99/735280999.db2.gz VAUXOWMCXWLPML-OIBJUYFYSA-N 0 3 362.188 2.817 20 5 FFBDHN COC(=O)C[C@@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000754535992 736169451 /nfs/dbraw/zinc/16/94/51/736169451.db2.gz BGSNMZZBMRFVCV-YMTOWFKASA-N 0 3 369.805 2.507 20 5 FFBDHN CN(C(=O)CCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCN(C2CC2)C1 ZINC000906649791 736529220 /nfs/dbraw/zinc/52/92/20/736529220.db2.gz CWAXHJSYWKJVAC-OAHLLOKOSA-N 0 3 351.834 2.876 20 5 FFBDHN C[C@H](OC(=O)C1CC[C@@H](C(F)(F)F)NC1=O)c1ccccc1[N+](=O)[O-] ZINC000764597029 737033759 /nfs/dbraw/zinc/03/37/59/737033759.db2.gz KWHFVYPOTOZOSQ-XRNSZHNASA-N 0 3 360.288 2.656 20 5 FFBDHN C[C@@H]1CC[C@H](C)N1[C@@H]1CCCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768812687 737461106 /nfs/dbraw/zinc/46/11/06/737461106.db2.gz LXKUSKDSEHSWNR-FRRDWIJNSA-N 0 3 373.500 2.682 20 5 FFBDHN COc1cc(CNC[C@H]2CCC[C@@H](C(F)(F)F)O2)c([N+](=O)[O-])cc1O ZINC000922694180 738186948 /nfs/dbraw/zinc/18/69/48/738186948.db2.gz KCPLPIMIMONTAI-YGRLFVJLSA-N 0 3 364.320 2.899 20 5 FFBDHN CN(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccc(Cl)cc1 ZINC000802381145 740699397 /nfs/dbraw/zinc/69/93/97/740699397.db2.gz HDPNYWVLEDHRBK-INIZCTEOSA-N 0 3 362.817 2.863 20 5 FFBDHN CN(C)C(=O)[C@H]1CCCN1CCCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000804407213 740869884 /nfs/dbraw/zinc/86/98/84/740869884.db2.gz RHYXFKKSWUXUKG-OAHLLOKOSA-N 0 3 354.838 2.603 20 5 FFBDHN CNC(=O)OC[C@@H]1CCCCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000805825237 741014412 /nfs/dbraw/zinc/01/44/12/741014412.db2.gz OIVUCQFZEBBSBL-HNNXBMFYSA-N 0 3 351.403 2.574 20 5 FFBDHN O=[N+]([O-])c1ccc(Cl)c(CN[C@@H](C2CC2)C2(CO)CCOCC2)c1 ZINC000816657405 742051640 /nfs/dbraw/zinc/05/16/40/742051640.db2.gz RBAVXSCWBGQXQF-INIZCTEOSA-N 0 3 354.834 2.906 20 5 FFBDHN CO[C@@H]1C[C@H](N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC000831334451 745516719 /nfs/dbraw/zinc/51/67/19/745516719.db2.gz WHVFPDBVGDNLEX-BIGNPOOSSA-N 0 3 355.822 2.978 20 5 FFBDHN CC[C@@H](C)N1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000832188341 745653677 /nfs/dbraw/zinc/65/36/77/745653677.db2.gz XUUFNOZRCNHCSH-GFCCVEGCSA-N 0 3 354.838 2.603 20 5 FFBDHN CO[C@@H]1C[C@@H](NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C12CCC2 ZINC000839191037 746798228 /nfs/dbraw/zinc/79/82/28/746798228.db2.gz NHSXUJVWDXTUFB-ZIAGYGMSSA-N 0 3 353.806 2.734 20 5 FFBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000839440591 746828434 /nfs/dbraw/zinc/82/84/34/746828434.db2.gz WCOUTZRIAVOQKZ-GFCCVEGCSA-N 0 3 370.247 2.912 20 5 FFBDHN CC(C)N(Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@@H]1CCC(=O)N1 ZINC000839670341 746887275 /nfs/dbraw/zinc/88/72/75/746887275.db2.gz UAKMGRGNVXVFIH-LBPRGKRZSA-N 0 3 370.247 2.846 20 5 FFBDHN CC(=O)Nc1nc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cs1 ZINC000845874202 748341628 /nfs/dbraw/zinc/34/16/28/748341628.db2.gz YFQXJPGJWBPJIC-ISVAXAHUSA-N 0 3 367.358 2.804 20 5 FFBDHN COC(=O)c1coc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000845879592 748343322 /nfs/dbraw/zinc/34/33/22/748343322.db2.gz VYWDTEWGJGIQJR-XPTSAGLGSA-N 0 3 351.286 2.769 20 5 FFBDHN CC([C@H](OC(=O)[C@@H](C)N(C)CC(F)(F)F)c1ccccc1F)[N+](=O)[O-] ZINC000845883335 748344256 /nfs/dbraw/zinc/34/42/56/748344256.db2.gz SECWNOAZVKMGRQ-BREBYQMCSA-N 0 3 366.311 2.958 20 5 FFBDHN Cc1c(CNCc2ccc(CN3CCNC3=O)cc2)cccc1[N+](=O)[O-] ZINC000873151912 1013405023 /nfs/dbraw/zinc/40/50/23/1013405023.db2.gz CZFLUJLPPJQINK-UHFFFAOYSA-N 0 3 354.410 2.718 20 5 FFBDHN C[C@@H]1NC[C@H]1Oc1c(Br)cc(Br)cc1[N+](=O)[O-] ZINC001218385339 969898215 /nfs/dbraw/zinc/89/82/15/969898215.db2.gz LGVCJOROURHZEO-SSDLBLMSSA-N 0 3 366.009 2.859 20 5 FFBDHN COc1cccc(CN(CCN(C)C)C(=O)c2cc([N+](=O)[O-])cc(C)n2)c1 ZINC001269137066 978476965 /nfs/dbraw/zinc/47/69/65/978476965.db2.gz LNKRCHUDVWHSDJ-UHFFFAOYSA-N 0 3 372.425 2.511 20 5 FFBDHN COc1cc(CN[C@H]2CCN(C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000729682643 981284734 /nfs/dbraw/zinc/28/47/34/981284734.db2.gz XMGAVQZKDDUZJF-KRWDZBQOSA-N 0 3 371.437 2.976 20 5 FFBDHN C[C@H](NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1nnc2ccccn21 ZINC000764723603 984662865 /nfs/dbraw/zinc/66/28/65/984662865.db2.gz QWPFIQXUIXCDTD-AWEZNQCLSA-N 0 3 366.425 2.957 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000193054028 987305495 /nfs/dbraw/zinc/30/54/95/987305495.db2.gz YVNXCSGYHXNLMH-GOSISDBHSA-N 0 3 354.410 2.865 20 5 FFBDHN CC1(C)Nc2ccccc2[C@H]1NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923425102 991134550 /nfs/dbraw/zinc/13/45/50/991134550.db2.gz FGXVBQPMEHBCTG-FZKQIMNGSA-N 0 3 357.410 2.870 20 5 FFBDHN COc1ccc(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(OC)n1 ZINC000810261683 994738630 /nfs/dbraw/zinc/73/86/30/994738630.db2.gz XVEFVNUZNPTWOS-UHFFFAOYSA-N 0 3 372.425 2.766 20 5 FFBDHN CC(COC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])[N+](=O)[O-] ZINC000813103088 995615491 /nfs/dbraw/zinc/61/54/91/995615491.db2.gz NIJDGLBOBCCTKB-LBPRGKRZSA-N 0 3 360.322 2.996 20 5 FFBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1ccc([N+](=O)[O-])n1C ZINC000824417402 996950358 /nfs/dbraw/zinc/95/03/58/996950358.db2.gz VVTIKWDJNGQLHQ-GOEBONIOSA-N 0 3 354.410 2.690 20 5 FFBDHN CCn1c2ccccc2nc1N1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169055344 1000019036 /nfs/dbraw/zinc/01/90/36/1000019036.db2.gz PSLBVGOXRRPZHC-JKSUJKDBSA-N 0 3 357.458 2.624 20 5 FFBDHN CCOC(=O)C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CNC2)c1cccnc1 ZINC001169675495 1000070208 /nfs/dbraw/zinc/07/02/08/1000070208.db2.gz BXBWDFFBDZJKEZ-OAHLLOKOSA-N 0 3 356.382 2.699 20 5 FFBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2nnc(-c3ccccc3)[nH]2)n1 ZINC000774316317 1001857778 /nfs/dbraw/zinc/85/77/78/1001857778.db2.gz SVJWDAKHELQWBT-CABCVRRESA-N 0 3 367.413 2.850 20 5 FFBDHN C[C@@H](CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC001184839250 1002734349 /nfs/dbraw/zinc/73/43/49/1002734349.db2.gz FOODNWFTRLULNS-KGLIPLIRSA-N 0 3 358.442 2.979 20 5 FFBDHN CO[C@]1(C)C[C@H](NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1(C)C ZINC001170385910 1003138581 /nfs/dbraw/zinc/13/85/81/1003138581.db2.gz KHWIETOWUGQMPI-XJKSGUPXSA-N 0 3 355.822 2.980 20 5 FFBDHN Cc1c(CN[C@H](CN2CCN(C)CC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000775618444 1004838118 /nfs/dbraw/zinc/83/81/18/1004838118.db2.gz ZQOOYEKZXTWQDH-HXUWFJFHSA-N 0 3 368.481 2.982 20 5 FFBDHN COc1ccc(N2C[C@H](N[C@@H](C)c3ccc(N)c([N+](=O)[O-])c3)CC2=O)cc1 ZINC000850516814 1005819963 /nfs/dbraw/zinc/81/99/63/1005819963.db2.gz ZBZSZKBEZWDAFM-GXTWGEPZSA-N 0 3 370.409 2.642 20 5 FFBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000851646612 1005902819 /nfs/dbraw/zinc/90/28/19/1005902819.db2.gz YYNZPCZWBZOGSJ-SFHVURJKSA-N 0 3 370.409 2.574 20 5 FFBDHN CCCCN(C)C(=O)C1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776579100 1005959648 /nfs/dbraw/zinc/95/96/48/1005959648.db2.gz JENUWULZLFIUQU-SFHVURJKSA-N 0 3 363.458 2.599 20 5 FFBDHN CCC[C@H](C)NC(=O)[C@H]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776580517 1005960994 /nfs/dbraw/zinc/96/09/94/1005960994.db2.gz VYLMDUQXSLRZSW-ZVZYQTTQSA-N 0 3 363.458 2.645 20 5 FFBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(OC[C@@H]3CCCCO3)CC2)cc1 ZINC000776590409 1005993667 /nfs/dbraw/zinc/99/36/67/1005993667.db2.gz DIGVSIARGQGNFL-RBUKOAKNSA-N 0 3 364.442 2.678 20 5 FFBDHN Cc1noc(COC(=O)C2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000853900694 1006576496 /nfs/dbraw/zinc/57/64/96/1006576496.db2.gz ZUPBBJRQWNZVHA-UHFFFAOYSA-N 0 3 359.382 2.847 20 5 FFBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC001135925194 1007628696 /nfs/dbraw/zinc/62/86/96/1007628696.db2.gz YBEMMQIYHQSCML-OAHLLOKOSA-N 0 3 359.401 2.945 20 5 FFBDHN Cc1c(C(=O)N[C@H](C)CN2CCC(C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000855898770 1007629916 /nfs/dbraw/zinc/62/99/16/1007629916.db2.gz UXIBNFPUYWKTLY-GFCCVEGCSA-N 0 3 364.402 2.662 20 5 FFBDHN O=[N+]([O-])c1ccc([C@H](O)CNCc2ccc(OCC(F)(F)F)nc2)cc1 ZINC000818957159 1007995071 /nfs/dbraw/zinc/99/50/71/1007995071.db2.gz RGJPOQIKZNQPSD-CQSZACIVSA-N 0 3 371.315 2.754 20 5 FFBDHN Nc1ccc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000114694406 1008017997 /nfs/dbraw/zinc/01/79/97/1008017997.db2.gz YZQTXRFBWZGLLJ-MRXNPFEDSA-N 0 3 354.410 2.571 20 5 FFBDHN CC(=O)N1CC[C@@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000819192464 1008062834 /nfs/dbraw/zinc/06/28/34/1008062834.db2.gz YQPKEXMSTYFWBD-IEBWSBKVSA-N 0 3 355.394 2.716 20 5 FFBDHN CN(C[C@@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000823167592 1008954561 /nfs/dbraw/zinc/95/45/61/1008954561.db2.gz JSZJBGYZAWCOFL-ZDUSSCGKSA-N 0 3 367.446 2.647 20 5 FFBDHN C[C@@H]1[C@@H](NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000823939075 1009287100 /nfs/dbraw/zinc/28/71/00/1009287100.db2.gz QUEZEVZAQKGBCF-DYVFJYSZSA-N 0 3 369.425 2.962 20 5 FFBDHN C[C@H](N[C@@H]1CCc2ccccc2OC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000509520289 1009534054 /nfs/dbraw/zinc/53/40/54/1009534054.db2.gz CHOMXCUOLPDUSM-XJKSGUPXSA-N 0 3 355.394 2.905 20 5 FFBDHN Cc1c(C(=O)NC[C@@H]2CCN2C2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000863032058 1010088699 /nfs/dbraw/zinc/08/86/99/1010088699.db2.gz DLQGLVJHCMUSSV-ZDUSSCGKSA-N 0 3 362.386 2.558 20 5 FFBDHN CCC1(N2CCOCC2)CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000863492916 1010224364 /nfs/dbraw/zinc/22/43/64/1010224364.db2.gz OGQFTXAIJVCUDS-VMPITWQZSA-N 0 3 373.453 2.711 20 5 FFBDHN C[C@@H](NCc1ccc(CN2CCNC2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000866573731 1011018270 /nfs/dbraw/zinc/01/82/70/1011018270.db2.gz LZKQTDJXLXDBIM-CQSZACIVSA-N 0 3 354.410 2.971 20 5 FFBDHN COC(=O)c1cccnc1CN[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172911222 1012123743 /nfs/dbraw/zinc/12/37/43/1012123743.db2.gz HSERHIIZAOCMTG-OAHLLOKOSA-N 0 3 355.394 2.814 20 5 FFBDHN O=[N+]([O-])c1cc(F)c(N2CCC(N3CC(N4CCCC4)C3)CC2)c(F)c1 ZINC001173016127 1012187350 /nfs/dbraw/zinc/18/73/50/1012187350.db2.gz BLNNKIOOBMGKHD-UHFFFAOYSA-N 0 3 366.412 2.622 20 5 FFBDHN O=[N+]([O-])c1cc(F)c(N2CCC(N3CC4(CSC4)C3)CC2)c(F)c1 ZINC001173017288 1012189757 /nfs/dbraw/zinc/18/97/57/1012189757.db2.gz BFWJBCCVSYNQKS-UHFFFAOYSA-N 0 3 355.410 2.891 20 5 FFBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cc(OC2CCOCC2)ncn1 ZINC001173223602 1012353846 /nfs/dbraw/zinc/35/38/46/1012353846.db2.gz IWFNXBIVBUCVIL-AWEZNQCLSA-N 0 3 372.425 2.663 20 5 FFBDHN COc1ccnc(OC2CCN([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001173237772 1012386760 /nfs/dbraw/zinc/38/67/60/1012386760.db2.gz MIPOFJFFKKMJNN-AWEZNQCLSA-N 0 3 372.425 2.868 20 5 FFBDHN Cn1nnc2c1C[C@@H](N[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)CC2 ZINC000927148634 1018380004 /nfs/dbraw/zinc/38/00/04/1018380004.db2.gz XHTBEVVLDCKWLS-OXJNMPFZSA-N 0 3 363.421 2.960 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2cnn(CN3CCN(C4CCCC4)CC3)c2)c1 ZINC000777955105 1020323622 /nfs/dbraw/zinc/32/36/22/1020323622.db2.gz MESRTYJNYSBMRR-UHFFFAOYSA-N 0 3 355.442 2.976 20 5 FFBDHN CN(C)CCN(Cc1ccccn1)C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000932210777 1020743337 /nfs/dbraw/zinc/74/33/37/1020743337.db2.gz DLHNFUGHNHWUMF-UHFFFAOYSA-N 0 3 374.416 2.652 20 5 FFBDHN CC[C@H](C)NC(=O)c1cccc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000749676902 1021019561 /nfs/dbraw/zinc/01/95/61/1021019561.db2.gz MZQZMTVFQKIVJZ-LIRRHRJNSA-N 0 3 371.437 2.946 20 5 FFBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H](Cn2cccn2)c2ccccc2)c1 ZINC000750108490 1021355177 /nfs/dbraw/zinc/35/51/77/1021355177.db2.gz URCJJAJENPGQRI-OALUTQOASA-N 0 3 352.394 2.856 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934836972 1021422271 /nfs/dbraw/zinc/42/22/71/1021422271.db2.gz GUIPBEFTCXMJCB-JKSUJKDBSA-N 0 3 361.442 2.980 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](CO)CC1CCOCC1 ZINC001116801216 1021423158 /nfs/dbraw/zinc/42/31/58/1021423158.db2.gz TUBAEXDHKSCUCT-HNNXBMFYSA-N 0 3 352.431 2.508 20 5 FFBDHN C/C(=C/C(=O)N(CCN(C)C)C[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000752029346 1023029362 /nfs/dbraw/zinc/02/93/62/1023029362.db2.gz DPJZJZSKFKIQSY-XXTMNZORSA-N 0 3 361.442 2.567 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)CN1Cc1ccccc1 ZINC000188328595 1023054786 /nfs/dbraw/zinc/05/47/86/1023054786.db2.gz AJKOXLSZBHKRKE-HIFRSBDPSA-N 0 3 354.410 2.570 20 5 FFBDHN CC(COC(=O)c1cccc2c1CCN2C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC001123042807 1023607696 /nfs/dbraw/zinc/60/76/96/1023607696.db2.gz RNZKPUQKIDKXJI-NSHDSACASA-N 0 3 350.371 2.806 20 5 FFBDHN C[C@@H](CN1CCCCC1)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001141534345 1026526202 /nfs/dbraw/zinc/52/62/02/1026526202.db2.gz MJIMBMVGWNUVIM-VIFPVBQESA-N 0 3 358.801 2.574 20 5 FFBDHN COc1ccc(CC(=O)Nc2ccc(CN(C)C)cc2F)cc1[N+](=O)[O-] ZINC000839823617 1026839085 /nfs/dbraw/zinc/83/90/85/1026839085.db2.gz NNNFEUKLNWZQRN-UHFFFAOYSA-N 0 3 361.373 2.985 20 5 FFBDHN NCc1cc(-c2ccncc2)nn1-c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001160339487 1027682269 /nfs/dbraw/zinc/68/22/69/1027682269.db2.gz LDIFVFJHSGVVHG-UHFFFAOYSA-N 0 3 373.376 2.758 20 5 FFBDHN Cc1nn(CN2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000795690972 1027814086 /nfs/dbraw/zinc/81/40/86/1027814086.db2.gz BTNPHBLLINVNRF-SQNIBIBYSA-N 0 3 356.426 2.870 20 5 FFBDHN C[C@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000780763425 1028799722 /nfs/dbraw/zinc/79/97/22/1028799722.db2.gz BZCASKLTVYQNMG-QAPCUYQASA-N 0 3 357.458 2.882 20 5 FFBDHN O=[N+]([O-])c1ccc(C(F)(F)c2nc(-c3ccc4c(n3)CCNC4)no2)cc1 ZINC001205080624 1031511411 /nfs/dbraw/zinc/51/14/11/1031511411.db2.gz DVGAEAXDEOGLHF-UHFFFAOYSA-N 0 3 373.319 2.826 20 5 FFBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@H](c2ccccn2)C1 ZINC000799192513 1031688951 /nfs/dbraw/zinc/68/89/51/1031688951.db2.gz YVKMPUOKRKOZCV-AWEZNQCLSA-N 0 3 368.393 2.777 20 5 FFBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000831237301 1034005131 /nfs/dbraw/zinc/00/51/31/1034005131.db2.gz PRZXQNXLJDPFID-BCLQGDPASA-N 0 3 365.430 2.616 20 5 FFBDHN COC(=O)c1cc(O[C@H]2CCCN(C(C)C)C2)c(OC)cc1[N+](=O)[O-] ZINC001226438545 1034684778 /nfs/dbraw/zinc/68/47/78/1034684778.db2.gz HNIKBVHWDYVJBN-LBPRGKRZSA-N 0 3 352.387 2.642 20 5 FFBDHN COCCN1CCC(Oc2ncnc3cc(Cl)c([N+](=O)[O-])cc32)CC1 ZINC001227363328 1035518452 /nfs/dbraw/zinc/51/84/52/1035518452.db2.gz BJLROIJSXKIREN-UHFFFAOYSA-N 0 3 366.805 2.681 20 5 FFBDHN O=[N+]([O-])c1cc(O[C@H]2CN3CCC2CC3)ccc1I ZINC001229951741 1036995684 /nfs/dbraw/zinc/99/56/84/1036995684.db2.gz RVKJHTLTMLQWGS-ZDUSSCGKSA-N 0 3 374.178 2.672 20 5 FFBDHN CCOC(=O)c1ccc(Br)c([O-])c1O[C@@H](C)C[N+](C)(C)C ZINC001234609631 1037111036 /nfs/dbraw/zinc/11/10/36/1037111036.db2.gz RAMARUIMNWHDAH-JTQLQIEISA-O 0 3 361.256 2.805 20 5 FFBDHN COc1cc(O[C@H](C)CN(C)C)c2c(c1)oc1ccc(OC)c(O)c1c2=O ZINC001230525601 1037303109 /nfs/dbraw/zinc/30/31/09/1037303109.db2.gz HOUHHYFBSRJGNH-LLVKDONJSA-N 0 3 373.405 2.998 20 5 FFBDHN COCOc1ccccc1-c1noc(C[C@@H](N)c2ccccc2[N+](=O)[O-])n1 ZINC001249342804 1040692882 /nfs/dbraw/zinc/69/28/82/1040692882.db2.gz UEJVBUJSXSYVFH-CQSZACIVSA-N 0 3 370.365 2.870 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCC(N3CCN4CC(F)(F)C[C@H]4C3)CC2)cc1 ZINC001254479730 1040745812 /nfs/dbraw/zinc/74/58/12/1040745812.db2.gz JVQCFQKRFWJBSK-KRWDZBQOSA-N 0 3 366.412 2.589 20 5 FFBDHN CCS(=O)(=O)c1ccc(CN[C@H](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC001254531968 1040784586 /nfs/dbraw/zinc/78/45/86/1040784586.db2.gz HVJJXJKTXUXCJT-CYBMUJFWSA-N 0 3 363.439 2.504 20 5 FFBDHN Cc1ccc(C[C@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001254736747 1040922259 /nfs/dbraw/zinc/92/22/59/1040922259.db2.gz JFPUIWPIYDGEBL-HNNXBMFYSA-N 0 3 362.451 2.898 20 5 FFBDHN Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC001539270509 1070602982 /nfs/dbraw/zinc/60/29/82/1070602982.db2.gz FLSAGHPBYHAFQL-SFHVURJKSA-N 0 3 354.410 2.744 20 5 FFBDHN Cc1c([C@H](C)NCCN2C(=O)COc3ccccc32)cccc1[N+](=O)[O-] ZINC001324843368 1046250535 /nfs/dbraw/zinc/25/05/35/1046250535.db2.gz YTACJSKHIQCBFX-AWEZNQCLSA-N 0 3 355.394 2.979 20 5 FFBDHN CC(C)n1ncc2c1[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC001327990804 1048124420 /nfs/dbraw/zinc/12/44/20/1048124420.db2.gz AQVPZVQOVSJZPW-SJLPKXTDSA-N 0 3 374.441 2.779 20 5 FFBDHN CCn1c([C@@H]2CCCN(C)C2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001341146040 1051495813 /nfs/dbraw/zinc/49/58/13/1051495813.db2.gz MXEMXZQQVABNIC-MRXNPFEDSA-N 0 3 372.473 2.694 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](O)CNC[C@@](O)(c2ccccc2)C(F)(F)F)c1 ZINC001335367782 1053320280 /nfs/dbraw/zinc/32/02/80/1053320280.db2.gz VQSHJGBOQSDFKX-HZPDHXFCSA-N 0 3 370.327 2.668 20 5 FFBDHN COC1CCN(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])c(F)cc2C)CC1 ZINC001543838524 1071554340 /nfs/dbraw/zinc/55/43/40/1071554340.db2.gz ZWMFDVKTGQPQSG-UHFFFAOYSA-N 0 3 367.421 2.662 20 5 FFBDHN C[C@@H]1CC2(CN1CN1CC[C@H](c3ccc([N+](=O)[O-])cc3)C1=O)CCOCC2 ZINC000848489096 1060143410 /nfs/dbraw/zinc/14/34/10/1060143410.db2.gz JCZROMWSYNDSHK-CRAIPNDOSA-N 0 3 373.453 2.759 20 5 FFBDHN COc1c([O-])ccc(C[NH2+]CCc2cn(C)c3ncccc23)c1[N+](=O)[O-] ZINC001462519653 1061655857 /nfs/dbraw/zinc/65/58/57/1061655857.db2.gz YBDKRNCLTSDMJT-UHFFFAOYSA-N 0 3 356.382 2.528 20 5 FFBDHN CC[NH+](CC)CCOc1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC001472352313 1065028518 /nfs/dbraw/zinc/02/85/18/1065028518.db2.gz CKBPKRMIHQVJRF-UHFFFAOYSA-N 0 3 374.397 2.668 20 5 FFBDHN CC(C)CN1CCN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CC1 ZINC001472635533 1065118196 /nfs/dbraw/zinc/11/81/96/1065118196.db2.gz IMVAIAVGXOCPDM-UHFFFAOYSA-N 0 3 359.386 2.829 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCCCC[NH+]1CCCCC1 ZINC001582803905 1079109491 /nfs/dbraw/zinc/10/94/91/1079109491.db2.gz BVIUJSLXWVSFJI-UHFFFAOYSA-N 0 3 359.434 2.843 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCCCC[NH+]1CCCCC1 ZINC001582803905 1079109495 /nfs/dbraw/zinc/10/94/95/1079109495.db2.gz BVIUJSLXWVSFJI-UHFFFAOYSA-N 0 3 359.434 2.843 20 5 FFBDHN CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCN(C)CC1 ZINC000051468815 249491610 /nfs/dbraw/zinc/49/16/10/249491610.db2.gz MUVSVBIAWODWKK-UHFFFAOYSA-N 0 3 360.439 2.885 20 5 FFBDHN COc1cc(CNCC2CCOCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272350350 252017191 /nfs/dbraw/zinc/01/71/91/252017191.db2.gz DAIGODKNWSSUGJ-UHFFFAOYSA-N 0 3 360.357 2.764 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000272443181 252039487 /nfs/dbraw/zinc/03/94/87/252039487.db2.gz FBFFLLULWLRFDN-CQSZACIVSA-N 0 3 369.487 2.562 20 5 FFBDHN C[C@@H]1C[C@@H](N(C)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000272465970 252045823 /nfs/dbraw/zinc/04/58/23/252045823.db2.gz HPGXGZIUZJQBKJ-DOMZBBRYSA-N 0 3 368.865 2.915 20 5 FFBDHN CC[C@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000272586780 252073661 /nfs/dbraw/zinc/07/36/61/252073661.db2.gz ZFLQCZVOCBHKKR-SJLPKXTDSA-N 0 3 357.458 2.882 20 5 FFBDHN C[C@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C1=CCN(C)CC1 ZINC000272882170 252154837 /nfs/dbraw/zinc/15/48/37/252154837.db2.gz YDIPADWPIFCUCK-HNNXBMFYSA-N 0 3 360.458 2.867 20 5 FFBDHN C[C@@H]1C[C@H](N2CCCC2)CN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000285755337 257003101 /nfs/dbraw/zinc/00/31/01/257003101.db2.gz ZBJSRIKNICGOLO-OCCSQVGLSA-N 0 3 366.849 2.745 20 5 FFBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000285763690 257003608 /nfs/dbraw/zinc/00/36/08/257003608.db2.gz ZQFMTFAEEFNTCE-TZMCWYRMSA-N 0 3 366.849 2.745 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000277381735 256191755 /nfs/dbraw/zinc/19/17/55/256191755.db2.gz WJJUKNHJBWLWDU-JOYOIKCWSA-N 0 3 368.231 2.570 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000277278220 256179919 /nfs/dbraw/zinc/17/99/19/256179919.db2.gz BAAUQXOGKIWWEZ-CQSZACIVSA-N 0 3 350.419 2.526 20 5 FFBDHN COc1cc(NCCCN2CCCO[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000278179562 256285074 /nfs/dbraw/zinc/28/50/74/256285074.db2.gz PNFZDZFDGUKKAT-ZDUSSCGKSA-N 0 3 353.419 2.525 20 5 FFBDHN CN(C)[C@H]1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000278529129 256322144 /nfs/dbraw/zinc/32/21/44/256322144.db2.gz UANFYAOBFVGCFB-QMMMGPOBSA-N 0 3 354.279 2.784 20 5 FFBDHN O=[N+]([O-])c1ccc2[nH]c(CNC3CCN(CCC(F)(F)F)CC3)nc2c1 ZINC000278772554 256346459 /nfs/dbraw/zinc/34/64/59/256346459.db2.gz UVEXGHIWEDRWMB-UHFFFAOYSA-N 0 3 371.363 2.978 20 5 FFBDHN COc1cc(CN(C)CCCO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000281651995 256650758 /nfs/dbraw/zinc/65/07/58/256650758.db2.gz BRASXLAOSZVLIU-UHFFFAOYSA-N 0 3 360.410 2.997 20 5 FFBDHN CCS[C@@H]1CCC[C@H]1NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000286236667 257027065 /nfs/dbraw/zinc/02/70/65/257027065.db2.gz RQOCTLIMUBCUQB-UKRRQHHQSA-N 0 3 353.444 2.806 20 5 FFBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000288169138 257155069 /nfs/dbraw/zinc/15/50/69/257155069.db2.gz AXNHWHDQOJUYDP-ZIAGYGMSSA-N 0 3 354.410 2.842 20 5 FFBDHN C[C@@H]1C[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000290829210 257359960 /nfs/dbraw/zinc/35/99/60/257359960.db2.gz UIQJRQGIXLMTJB-UKRRQHHQSA-N 0 3 369.425 2.554 20 5 FFBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000301069162 258022668 /nfs/dbraw/zinc/02/26/68/258022668.db2.gz DYPKUQQMIUBANQ-SFHVURJKSA-N 0 3 356.426 2.978 20 5 FFBDHN CC[C@@H]1CN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CCN1C[C@@H](C)O ZINC000302022640 258083118 /nfs/dbraw/zinc/08/31/18/258083118.db2.gz ORBSVYMQNHZYLG-HUUCEWRRSA-N 0 3 358.442 2.733 20 5 FFBDHN C[C@H]1CN(CC2CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)CC2)C[C@H](C)O1 ZINC000302456812 258102857 /nfs/dbraw/zinc/10/28/57/258102857.db2.gz QPCGGAJEBXSBMK-GJZGRUSLSA-N 0 3 374.485 2.888 20 5 FFBDHN Cc1c(CO)cc([N+](=O)[O-])c(NCCN2CCCCCC2)c1[N+](=O)[O-] ZINC000301538411 258055051 /nfs/dbraw/zinc/05/50/51/258055051.db2.gz RKSHCWSRFPDYRJ-UHFFFAOYSA-N 0 3 352.391 2.592 20 5 FFBDHN CN(C)[C@H](CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])C1CCCCC1 ZINC000301858650 258070961 /nfs/dbraw/zinc/07/09/61/258070961.db2.gz CWVSWRDUCIPKDI-OAHLLOKOSA-N 0 3 369.487 2.921 20 5 FFBDHN CCN1C[C@@H](C)N(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000331338419 258182715 /nfs/dbraw/zinc/18/27/15/258182715.db2.gz JLLUXJGXZKSLPI-TXEJJXNPSA-N 0 3 354.838 2.601 20 5 FFBDHN O=[N+]([O-])c1cc(Br)ccc1NC[C@H]1CCCN1CCCO ZINC000450598539 513266905 /nfs/dbraw/zinc/26/69/05/513266905.db2.gz RBSHVTVFDUFXDQ-GFCCVEGCSA-N 0 3 358.236 2.616 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000043126953 506703633 /nfs/dbraw/zinc/70/36/33/506703633.db2.gz OUKJXGRKWKRSRP-INIZCTEOSA-N 0 3 372.425 2.898 20 5 FFBDHN C[C@@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000043893367 506797994 /nfs/dbraw/zinc/79/79/94/506797994.db2.gz YVLAJYWKCWZAKZ-CABCVRRESA-N 0 3 363.462 2.569 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(CCC(C)(C)C)CC1 ZINC000055936304 506891598 /nfs/dbraw/zinc/89/15/98/506891598.db2.gz XNYFMLAQLNTXQU-UHFFFAOYSA-N 0 3 362.474 2.896 20 5 FFBDHN CC(C)(C)CCN1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055933739 506891994 /nfs/dbraw/zinc/89/19/94/506891994.db2.gz OSKDOFADRQBMJE-UHFFFAOYSA-N 0 3 362.474 2.977 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000067544509 506920776 /nfs/dbraw/zinc/92/07/76/506920776.db2.gz UFWVADNGODGTJR-UHFFFAOYSA-N 0 3 369.421 2.998 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCN(C4CCCC4)CC3)o2)cc1 ZINC000045753705 507012503 /nfs/dbraw/zinc/01/25/03/507012503.db2.gz PNBRMNINLSKROJ-UHFFFAOYSA-N 0 3 357.414 2.705 20 5 FFBDHN CC(C)C[C@@H](CN(C)C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000068222930 507153360 /nfs/dbraw/zinc/15/33/60/507153360.db2.gz CLMKCNSULILULA-INIZCTEOSA-N 0 3 362.474 2.901 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000023081649 507328585 /nfs/dbraw/zinc/32/85/85/507328585.db2.gz BJNWLXKFCXDFEH-INIZCTEOSA-N 0 3 357.410 2.506 20 5 FFBDHN CCCc1n[nH]c(C(=O)NC2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000068830943 507335956 /nfs/dbraw/zinc/33/59/56/507335956.db2.gz BOXOGFVSDPDPAI-UHFFFAOYSA-N 0 3 371.441 2.665 20 5 FFBDHN C[C@H]1CCC[C@](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])(N(C)C)C1 ZINC000058066332 507368720 /nfs/dbraw/zinc/36/87/20/507368720.db2.gz RWFQCLXYJIXYTD-GUYCJALGSA-N 0 3 369.487 2.921 20 5 FFBDHN Cc1cccc(C(=O)NCc2cccc(OCCN(C)C)c2)c1[N+](=O)[O-] ZINC000047672881 507377804 /nfs/dbraw/zinc/37/78/04/507377804.db2.gz BSFFZQDWMBWYAJ-UHFFFAOYSA-N 0 3 357.410 2.774 20 5 FFBDHN Cc1ccc(C(=O)NCc2cccc(OCCN(C)C)c2)cc1[N+](=O)[O-] ZINC000047672894 507378282 /nfs/dbraw/zinc/37/82/82/507378282.db2.gz UYPUYDYOGSIKNW-UHFFFAOYSA-N 0 3 357.410 2.774 20 5 FFBDHN CN(C)CCOc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1 ZINC000058492308 507427324 /nfs/dbraw/zinc/42/73/24/507427324.db2.gz HDMAZVXZEYISNY-UHFFFAOYSA-N 0 3 362.361 2.509 20 5 FFBDHN CCc1ccc([C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)N(C)C)cc1 ZINC000048313126 507500205 /nfs/dbraw/zinc/50/02/05/507500205.db2.gz OKYGPVDBSXKPPQ-KRWDZBQOSA-N 0 3 374.416 2.911 20 5 FFBDHN Cc1ccc(OCCN(C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000025699651 507523992 /nfs/dbraw/zinc/52/39/92/507523992.db2.gz WAHNRPTVLWRIOQ-QGZVFWFLSA-N 0 3 360.410 2.654 20 5 FFBDHN CCN1CCC[C@@H]1CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000051341656 507762966 /nfs/dbraw/zinc/76/29/66/507762966.db2.gz GXZDJNUYWLJJJQ-CQSZACIVSA-N 0 3 360.439 2.932 20 5 FFBDHN CCC(CC)[C@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])N(C)C ZINC000029873774 507794328 /nfs/dbraw/zinc/79/43/28/507794328.db2.gz BGRWNXAMFSLIBH-INIZCTEOSA-N 0 3 357.476 2.777 20 5 FFBDHN O=[N+]([O-])c1ccc(NCCCCN2CCN(Cc3ccccc3)CC2)nc1 ZINC000052430654 507809120 /nfs/dbraw/zinc/80/91/20/507809120.db2.gz PWKZKHJFLRHRIC-UHFFFAOYSA-N 0 3 369.469 3.000 20 5 FFBDHN CCN(CC)CCC[C@H](C)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000089619537 507851211 /nfs/dbraw/zinc/85/12/11/507851211.db2.gz YWCBWEJUBNHRGG-ZDUSSCGKSA-N 0 3 357.476 2.921 20 5 FFBDHN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@@H](N2CCCC2)C1 ZINC000107599932 507858885 /nfs/dbraw/zinc/85/88/85/507858885.db2.gz GMXXXEZEBCFJHZ-MRXNPFEDSA-N 0 3 358.442 2.870 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)N(C)Cc2ccccc2)c1 ZINC000110356103 508022800 /nfs/dbraw/zinc/02/28/00/508022800.db2.gz PTHLVRLZDWVDHG-AWEZNQCLSA-N 0 3 357.410 2.854 20 5 FFBDHN CNc1ccc(C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000081127242 508140374 /nfs/dbraw/zinc/14/03/74/508140374.db2.gz GDRDOZGNQOIUKN-KRWDZBQOSA-N 0 3 368.437 2.983 20 5 FFBDHN COc1ccc(-c2ccc(CN3CCC[C@@H](CC(N)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000093808899 508156093 /nfs/dbraw/zinc/15/60/93/508156093.db2.gz LYRLVYLUGISEHK-ZDUSSCGKSA-N 0 3 373.409 2.951 20 5 FFBDHN CNC(=O)[C@H](C)CN(C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000093899212 508159439 /nfs/dbraw/zinc/15/94/39/508159439.db2.gz NWIDVXINWODQBI-GFCCVEGCSA-N 0 3 361.398 2.677 20 5 FFBDHN CN(C)Cc1ccc(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000152379223 508434618 /nfs/dbraw/zinc/43/46/18/508434618.db2.gz NDBJFRUZHCDXSI-UHFFFAOYSA-N 0 3 368.437 2.924 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000134918805 508575342 /nfs/dbraw/zinc/57/53/42/508575342.db2.gz SPTFVWARVUCHDM-ZBFHGGJFSA-N 0 3 369.421 2.996 20 5 FFBDHN C[C@@H]1C[C@@H](N(C)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CCN1C ZINC000122833204 508593387 /nfs/dbraw/zinc/59/33/87/508593387.db2.gz WSQARMJTRPPPTF-WBVHZDCISA-N 0 3 374.485 2.752 20 5 FFBDHN COc1ccccc1[C@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000157949485 508636771 /nfs/dbraw/zinc/63/67/71/508636771.db2.gz BTWZYBHJQSBTGR-AWEZNQCLSA-N 0 3 355.394 2.692 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCS[C@@H](C)[C@H]1C ZINC000118415708 508650567 /nfs/dbraw/zinc/65/05/67/508650567.db2.gz DAXZMQJOJIKWGS-NEPJUHHUSA-N 0 3 353.444 2.758 20 5 FFBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)cc1OC ZINC000123351410 508673491 /nfs/dbraw/zinc/67/34/91/508673491.db2.gz UQPCNJFDTCBWLH-OLZOCXBDSA-N 0 3 365.430 2.557 20 5 FFBDHN CCN(Cc1ccc(C(=O)N(C)C)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153970117 508689024 /nfs/dbraw/zinc/68/90/24/508689024.db2.gz VQUQBTVWHQHZGK-IBGZPJMESA-N 0 3 371.437 2.852 20 5 FFBDHN Cc1ccc(CN(C)C)cc1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000154029926 508701960 /nfs/dbraw/zinc/70/19/60/508701960.db2.gz TWCURNFTAXXVSB-UHFFFAOYSA-N 0 3 363.439 2.907 20 5 FFBDHN Cn1cc([C@H](O)C[C@H]2CCCN2CCCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000371454785 512411619 /nfs/dbraw/zinc/41/16/19/512411619.db2.gz BDYRCVCGEJAXLU-IEBWSBKVSA-N 0 3 374.441 2.685 20 5 FFBDHN Cc1cc(S(=O)(=O)NC2CCN(C(C)(C)C)CC2)cc([N+](=O)[O-])c1F ZINC000154251856 508745729 /nfs/dbraw/zinc/74/57/29/508745729.db2.gz WPAAZDIWVLGZAA-UHFFFAOYSA-N 0 3 373.450 2.584 20 5 FFBDHN O=C(CC1(N2CCOCC2)CCCC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000119438237 508796195 /nfs/dbraw/zinc/79/61/95/508796195.db2.gz JTSBNCHJWJGYRN-UHFFFAOYSA-N 0 3 373.453 2.515 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000119859928 508878018 /nfs/dbraw/zinc/87/80/18/508878018.db2.gz UEKGQFYWMCULRP-DYVFJYSZSA-N 0 3 357.385 2.984 20 5 FFBDHN COc1ccc(-c2ccc(CN3CCC[C@H](C(N)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000155005958 508902796 /nfs/dbraw/zinc/90/27/96/508902796.db2.gz ZSBPXGVGMFSBMK-LBPRGKRZSA-N 0 3 359.382 2.561 20 5 FFBDHN COC(=O)c1ccc(CN(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000125187702 508944286 /nfs/dbraw/zinc/94/42/86/508944286.db2.gz KZZXDECYTSVLFO-UHFFFAOYSA-N 0 3 371.393 2.842 20 5 FFBDHN CCN(CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000120303814 508968086 /nfs/dbraw/zinc/96/80/86/508968086.db2.gz FOQSDQJXFHZHAP-UHFFFAOYSA-N 0 3 356.220 2.571 20 5 FFBDHN C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000125390214 508976247 /nfs/dbraw/zinc/97/62/47/508976247.db2.gz NMLAAOBWIXFPKE-SNVBAGLBSA-N 0 3 363.867 2.503 20 5 FFBDHN COc1ccc(OCCN2CC[C@@]3(O)CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000160911621 509047406 /nfs/dbraw/zinc/04/74/06/509047406.db2.gz FTHQDDXZLQILOV-KDOFPFPSSA-N 0 3 350.415 2.609 20 5 FFBDHN Cc1ccc([C@H](C)NC[C@@H](O)CN2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000151782666 509082356 /nfs/dbraw/zinc/08/23/56/509082356.db2.gz OAUBAUOTASBPRK-OXJNMPFZSA-N 0 3 369.465 2.973 20 5 FFBDHN O=C(NC[C@H]1CCN(C2CC2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000126673150 509111482 /nfs/dbraw/zinc/11/14/82/509111482.db2.gz HSKNEAAMRYYPJA-GFCCVEGCSA-N 0 3 372.450 2.932 20 5 FFBDHN N[C@H](Cc1ccccc1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000161976213 509167365 /nfs/dbraw/zinc/16/73/65/509167365.db2.gz FSIZLBPYDRPRQA-LJQANCHMSA-N 0 3 369.421 2.535 20 5 FFBDHN CCCN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000121389054 509171310 /nfs/dbraw/zinc/17/13/10/509171310.db2.gz BVUHQTPVAXMVAP-UHFFFAOYSA-N 0 3 358.236 2.771 20 5 FFBDHN Cc1ccsc1[C@@H](C)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000162106157 509172431 /nfs/dbraw/zinc/17/24/31/509172431.db2.gz QABJBWHOFWGLMZ-GFCCVEGCSA-N 0 3 369.468 2.594 20 5 FFBDHN C[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1COc2ccccc21 ZINC000185595051 509255308 /nfs/dbraw/zinc/25/53/08/509255308.db2.gz MCGDLCQBOPSQEO-DYVFJYSZSA-N 0 3 367.405 2.638 20 5 FFBDHN O=[N+]([O-])c1cnn(CCN[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000192090695 509340957 /nfs/dbraw/zinc/34/09/57/509340957.db2.gz PZYWWZGUIYBSRG-LSDHHAIUSA-N 0 3 354.769 2.704 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000182636450 509344472 /nfs/dbraw/zinc/34/44/72/509344472.db2.gz YIAVXNTYVHNXKU-OAHLLOKOSA-N 0 3 361.442 2.535 20 5 FFBDHN CCN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000163404724 509373044 /nfs/dbraw/zinc/37/30/44/509373044.db2.gz HYWGBDIMDWKDJE-HOCLYGCPSA-N 0 3 371.441 2.626 20 5 FFBDHN CCc1n[nH]c(C(=O)NC(C)(C)CN(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000185888789 509409870 /nfs/dbraw/zinc/40/98/70/509409870.db2.gz VCWKVZPXXMLSMD-UHFFFAOYSA-N 0 3 359.430 2.521 20 5 FFBDHN CC1CCN(c2ccc(C(=O)N3C[C@H](C)NC[C@H]3C)cc2[N+](=O)[O-])CC1 ZINC000236669426 509476577 /nfs/dbraw/zinc/47/65/77/509476577.db2.gz ROLGAUVIALQCFH-LSDHHAIUSA-N 0 3 360.458 2.654 20 5 FFBDHN CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC1(c2ccccc2)CC1 ZINC000189298221 509507500 /nfs/dbraw/zinc/50/75/00/509507500.db2.gz JREIMLMRCMWELA-QGZVFWFLSA-N 0 3 356.422 2.998 20 5 FFBDHN C[C@@H](NCc1ccc(N2CCN(C)CC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000192464485 509530548 /nfs/dbraw/zinc/53/05/48/509530548.db2.gz FKNWIXYOJCSTJX-OAHLLOKOSA-N 0 3 355.442 2.592 20 5 FFBDHN COc1ccc(COC[C@H](O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173356469 509550601 /nfs/dbraw/zinc/55/06/01/509550601.db2.gz RSNJFKYBUXDTRX-KBXCAEBGSA-N 0 3 360.410 2.832 20 5 FFBDHN O=C(CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccc(F)cc1 ZINC000173467628 509618962 /nfs/dbraw/zinc/61/89/62/509618962.db2.gz UKXGHSJTYRPTBT-HNNXBMFYSA-N 0 3 373.388 2.644 20 5 FFBDHN C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)N(C)C1CC1 ZINC000267919822 509670992 /nfs/dbraw/zinc/67/09/92/509670992.db2.gz JADHNWNMRQIOJH-QMMMGPOBSA-N 0 3 374.210 2.709 20 5 FFBDHN C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)N(C)C1CC1 ZINC000267919819 509671446 /nfs/dbraw/zinc/67/14/46/509671446.db2.gz JADHNWNMRQIOJH-MRVPVSSYSA-N 0 3 374.210 2.709 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(CCN(C)C)C1CCCC1 ZINC000176845891 509722285 /nfs/dbraw/zinc/72/22/85/509722285.db2.gz MHTMJMRXEGONBY-UHFFFAOYSA-N 0 3 364.446 2.619 20 5 FFBDHN C[C@H]1C[C@@H](N(C)C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCN1C ZINC000268186520 509803176 /nfs/dbraw/zinc/80/31/76/509803176.db2.gz WCQPBZVYHTYZJF-AAEUAGOBSA-N 0 3 354.838 2.872 20 5 FFBDHN CC[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCS1 ZINC000173930039 509859493 /nfs/dbraw/zinc/85/94/93/509859493.db2.gz JHMPUZOQUCSWAZ-CYBMUJFWSA-N 0 3 353.444 2.759 20 5 FFBDHN CN(CCN(C)C1CC1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000186707233 509865302 /nfs/dbraw/zinc/86/53/02/509865302.db2.gz YIKVSTUCSRJNMC-UHFFFAOYSA-N 0 3 360.439 2.885 20 5 FFBDHN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@H]3CCCN3C)cc2[N+](=O)[O-])C1 ZINC000253356598 509869810 /nfs/dbraw/zinc/86/98/10/509869810.db2.gz VNUKBCPTSYDOIY-BFYDXBDKSA-N 0 3 374.485 2.901 20 5 FFBDHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc(Cl)ccc1Cl ZINC000189996338 509874699 /nfs/dbraw/zinc/87/46/99/509874699.db2.gz ILBXYGXUVMKABB-SKDRFNHKSA-N 0 3 359.213 2.810 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CN1C1CC1 ZINC000177195606 509930679 /nfs/dbraw/zinc/93/06/79/509930679.db2.gz FYYSZQRVIJMAAW-AAEUAGOBSA-N 0 3 367.833 2.759 20 5 FFBDHN CC[C@@H](O)CCNCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000268703697 510078104 /nfs/dbraw/zinc/07/81/04/510078104.db2.gz VVLIVHUJZMUIET-LLVKDONJSA-N 0 3 366.336 2.795 20 5 FFBDHN Cc1c(NC(=O)CCN2CCC(c3ncc[nH]3)CC2)cccc1[N+](=O)[O-] ZINC000265531710 510101930 /nfs/dbraw/zinc/10/19/30/510101930.db2.gz VMCYREKMZYFYCC-UHFFFAOYSA-N 0 3 357.414 2.835 20 5 FFBDHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180830102 510133780 /nfs/dbraw/zinc/13/37/80/510133780.db2.gz FPHSIGFOUWABNC-INIZCTEOSA-N 0 3 368.437 2.771 20 5 FFBDHN CC(=O)c1ccc(NC2CCN([C@H]3CCCC[C@@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000268930695 510143232 /nfs/dbraw/zinc/14/32/32/510143232.db2.gz BZZHHRWJOJQUBZ-HKUYNNGSSA-N 0 3 361.442 2.977 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000193947924 510143548 /nfs/dbraw/zinc/14/35/48/510143548.db2.gz JCTBIILOVMSSRH-KGLIPLIRSA-N 0 3 364.446 2.523 20 5 FFBDHN CN1CCC2(CC1)C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1O2 ZINC000193953346 510146820 /nfs/dbraw/zinc/14/68/20/510146820.db2.gz ZJNXFNWNWORPNO-AWEZNQCLSA-N 0 3 371.393 2.906 20 5 FFBDHN O=[N+]([O-])c1cccc(OCCN(C[C@@H]2CCCO2)[C@H]2CCSC2)c1 ZINC000245907831 510199875 /nfs/dbraw/zinc/19/98/75/510199875.db2.gz QWJHXIDGNVROHU-RDJZCZTQSA-N 0 3 352.456 2.960 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(c3c[nH]c4ccccc43)CC2)c1 ZINC000174711753 510266373 /nfs/dbraw/zinc/26/63/73/510266373.db2.gz SLSSYHJVQQAHAE-INIZCTEOSA-N 0 3 369.425 2.513 20 5 FFBDHN CC(C)(C)[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(F)c1 ZINC000181073975 510268331 /nfs/dbraw/zinc/26/83/31/510268331.db2.gz XHDIPAINRPSTAC-HOTGVXAUSA-N 0 3 350.394 2.668 20 5 FFBDHN Cc1c([C@H](C)NCc2ccc(N3CCN(C)CC3)nc2)cccc1[N+](=O)[O-] ZINC000177826816 510276110 /nfs/dbraw/zinc/27/61/10/510276110.db2.gz XSHHBAMURBQFQV-INIZCTEOSA-N 0 3 369.469 2.901 20 5 FFBDHN CCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)c1cc2ccccc2o1 ZINC000174749438 510290461 /nfs/dbraw/zinc/29/04/61/510290461.db2.gz ZTXWGCZHPKVOAW-XJKSGUPXSA-N 0 3 358.398 2.982 20 5 FFBDHN O=[N+]([O-])c1cnn(CCNC2(c3ccc(Br)cc3)CC2)c1 ZINC000174837681 510337000 /nfs/dbraw/zinc/33/70/00/510337000.db2.gz QZBZMBKHSHJCMU-UHFFFAOYSA-N 0 3 351.204 2.833 20 5 FFBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000181308531 510349094 /nfs/dbraw/zinc/34/90/94/510349094.db2.gz PADDQRLQUZKZHN-OAHLLOKOSA-N 0 3 356.426 2.915 20 5 FFBDHN COc1cccc(C(=O)NCCN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000178016409 510379030 /nfs/dbraw/zinc/37/90/30/510379030.db2.gz INQXWDDOEXMCGQ-CQSZACIVSA-N 0 3 357.410 2.992 20 5 FFBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000178181427 510474057 /nfs/dbraw/zinc/47/40/57/510474057.db2.gz OCOCWVGOADVFSQ-UHFFFAOYSA-N 0 3 360.389 2.520 20 5 FFBDHN O=C(NC1CCN(C2CC2)CC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000266268816 510490910 /nfs/dbraw/zinc/49/09/10/510490910.db2.gz QBEWXVPOGSBTTD-UHFFFAOYSA-N 0 3 357.332 2.970 20 5 FFBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246487536 510514915 /nfs/dbraw/zinc/51/49/15/510514915.db2.gz GYGPZIODBMOILR-ZRGWGRIASA-N 0 3 372.469 2.871 20 5 FFBDHN COc1ccc(CN[C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1O ZINC000178409235 510589510 /nfs/dbraw/zinc/58/95/10/510589510.db2.gz IGNJPYVHPIEAQH-GFCCVEGCSA-N 0 3 359.382 2.816 20 5 FFBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000246743279 510647709 /nfs/dbraw/zinc/64/77/09/510647709.db2.gz HAJOZZWQRQTNLP-WMLDXEAASA-N 0 3 358.442 2.725 20 5 FFBDHN C[C@H](NCc1ccnc(N2CCN(C)CC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178645433 510702406 /nfs/dbraw/zinc/70/24/06/510702406.db2.gz CIZIAWCSKCELNT-HNNXBMFYSA-N 0 3 355.442 2.592 20 5 FFBDHN O=[N+]([O-])c1cc(CN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c2c(c1)COCO2 ZINC000246909323 510739382 /nfs/dbraw/zinc/73/93/82/510739382.db2.gz RWUUKLLOYOKVMT-LIRRHRJNSA-N 0 3 373.453 2.910 20 5 FFBDHN O=C(CCN1CCC[C@@H](c2cc[nH]n2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000185194492 510741293 /nfs/dbraw/zinc/74/12/93/510741293.db2.gz RVNSPJURMKDTEG-GFCCVEGCSA-N 0 3 361.377 2.665 20 5 FFBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)n1 ZINC000191615473 510751690 /nfs/dbraw/zinc/75/16/90/510751690.db2.gz GWBGACLDCBQGSY-UHFFFAOYSA-N 0 3 371.441 2.548 20 5 FFBDHN CC(C)(C)OC(=O)NC[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000185232481 510760346 /nfs/dbraw/zinc/76/03/46/510760346.db2.gz FQVMSKJOSXMPTE-JKSUJKDBSA-N 0 3 365.430 2.521 20 5 FFBDHN Cc1nn(CCC(=O)Nc2cc(C)cc(CN(C)C)c2)c(C)c1[N+](=O)[O-] ZINC000270357453 510776031 /nfs/dbraw/zinc/77/60/31/510776031.db2.gz FPPWDNXJGARBDK-UHFFFAOYSA-N 0 3 359.430 2.807 20 5 FFBDHN COc1cc(OCC(=O)Nc2cc(C)cc(CN(C)C)c2)ccc1[N+](=O)[O-] ZINC000270361510 510777873 /nfs/dbraw/zinc/77/78/73/510777873.db2.gz GWDGXHUMJOZUIX-UHFFFAOYSA-N 0 3 373.409 2.991 20 5 FFBDHN Cc1ccccc1OCCN(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182190835 510805900 /nfs/dbraw/zinc/80/59/00/510805900.db2.gz XSQHAFXZJKPYRE-INIZCTEOSA-N 0 3 360.410 2.654 20 5 FFBDHN Cc1nn(CCC(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)c(C)c1[N+](=O)[O-] ZINC000263766090 510833238 /nfs/dbraw/zinc/83/32/38/510833238.db2.gz DLOVOLHSQHUWEM-KRWDZBQOSA-N 0 3 373.457 2.526 20 5 FFBDHN CN1CC[C@]2(CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C2)C1 ZINC000293966423 510913103 /nfs/dbraw/zinc/91/31/03/510913103.db2.gz UHHMQUNUXCZENM-HNNXBMFYSA-N 0 3 368.231 2.525 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000360775429 510946295 /nfs/dbraw/zinc/94/62/95/510946295.db2.gz GNSDTJYWFUZJJO-QGZVFWFLSA-N 0 3 368.437 2.940 20 5 FFBDHN CCN1CCC(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000279697449 511181696 /nfs/dbraw/zinc/18/16/96/511181696.db2.gz IXCVQJDLHZCTGD-UHFFFAOYSA-N 0 3 374.363 2.897 20 5 FFBDHN CN(C)Cc1cccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000298367653 511259664 /nfs/dbraw/zinc/25/96/64/511259664.db2.gz YWKIUHLOWOJUQH-UHFFFAOYSA-N 0 3 357.366 2.680 20 5 FFBDHN O=C(CCN1CCC(c2ccncn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000298524480 511315218 /nfs/dbraw/zinc/31/52/18/511315218.db2.gz VYNJKSAASHPPTB-UHFFFAOYSA-N 0 3 355.398 2.593 20 5 FFBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000295278616 511346376 /nfs/dbraw/zinc/34/63/76/511346376.db2.gz IIMVVQJILXNPBF-CZUORRHYSA-N 0 3 369.425 2.684 20 5 FFBDHN C[C@@H](N[C@H]1CCN(c2ccccc2C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000363175184 511397915 /nfs/dbraw/zinc/39/79/15/511397915.db2.gz PAXYNDMRKQQFJV-HIFRSBDPSA-N 0 3 354.410 2.623 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC(N2CCCCC2)CC1 ZINC000298827802 511422952 /nfs/dbraw/zinc/42/29/52/511422952.db2.gz TZBHUDHJVULBEZ-UHFFFAOYSA-N 0 3 367.471 2.542 20 5 FFBDHN Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)c1[N+](=O)[O-] ZINC000283694334 511463905 /nfs/dbraw/zinc/46/39/05/511463905.db2.gz XJXRRODGHYKCPF-HNNXBMFYSA-N 0 3 371.441 2.657 20 5 FFBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295845531 511533331 /nfs/dbraw/zinc/53/33/31/511533331.db2.gz WUEMOPJBRWJASL-PBHICJAKSA-N 0 3 359.426 2.643 20 5 FFBDHN CN1CC[C@@]2(CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C2)C1 ZINC000292331834 511555933 /nfs/dbraw/zinc/55/59/33/511555933.db2.gz UGKIFSNCZPRHTA-OAHLLOKOSA-N 0 3 368.231 2.525 20 5 FFBDHN CN1CCC[C@@]2(CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)C2)C1 ZINC000296005608 511586083 /nfs/dbraw/zinc/58/60/83/511586083.db2.gz VXWIJLZTJWJEJA-LJQANCHMSA-N 0 3 369.425 2.543 20 5 FFBDHN CC[C@@H](N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000284720679 511838840 /nfs/dbraw/zinc/83/88/40/511838840.db2.gz CLUOVCCBJVHQJL-GPMSIDNRSA-N 0 3 371.441 2.731 20 5 FFBDHN Cn1cc(CN2CCOCC3(CCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000363916217 511847925 /nfs/dbraw/zinc/84/79/25/511847925.db2.gz DSOXLOLYGSULJV-UHFFFAOYSA-N 0 3 356.426 2.998 20 5 FFBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000296780054 511894081 /nfs/dbraw/zinc/89/40/81/511894081.db2.gz NILQTTBHAZIGJH-CQSZACIVSA-N 0 3 361.442 2.746 20 5 FFBDHN CC(=O)c1cccc(OC[C@H](O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000296863829 511928152 /nfs/dbraw/zinc/92/81/52/511928152.db2.gz ZAKBECJTEIMWJT-SCLBCKFNSA-N 0 3 358.394 2.888 20 5 FFBDHN NC(=O)c1ccc(CN2CCCC[C@H]2[C@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000364053270 511932253 /nfs/dbraw/zinc/93/22/53/511932253.db2.gz GRIDTLDJXYXCTE-PKOBYXMFSA-N 0 3 369.421 2.782 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293353968 511935148 /nfs/dbraw/zinc/93/51/48/511935148.db2.gz KXMZRIYPIUGQTA-OTYXRUKQSA-N 0 3 357.332 2.826 20 5 FFBDHN C[C@@H](NCCCS(=O)(=O)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293620828 512029634 /nfs/dbraw/zinc/02/96/34/512029634.db2.gz HBSIOTWBZZXUDC-CYBMUJFWSA-N 0 3 363.439 2.692 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000275078754 512034969 /nfs/dbraw/zinc/03/49/69/512034969.db2.gz CNZMLXQCIXFIEK-RYUDHWBXSA-N 0 3 359.348 2.965 20 5 FFBDHN CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1N1CCCC1 ZINC000275140703 512053977 /nfs/dbraw/zinc/05/39/77/512053977.db2.gz PYEZSKKXAPKDTC-CABCVRRESA-N 0 3 369.874 2.900 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)c1 ZINC000373942516 512584375 /nfs/dbraw/zinc/58/43/75/512584375.db2.gz HBGFQVZRSKPCQY-HZPDHXFCSA-N 0 3 361.442 2.615 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000376043362 512632200 /nfs/dbraw/zinc/63/22/00/512632200.db2.gz HKDSRPCOMNVDBV-UHFFFAOYSA-N 0 3 372.429 2.741 20 5 FFBDHN CCCN(CCN1CCCC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000411717506 512777284 /nfs/dbraw/zinc/77/72/84/512777284.db2.gz IPXFOMIFUILCML-SFHVURJKSA-N 0 3 360.458 2.508 20 5 FFBDHN CC(C)(NCCC(=O)Nc1ccc(C(N)=O)cc1)c1ccccc1[N+](=O)[O-] ZINC000411760596 512797282 /nfs/dbraw/zinc/79/72/82/512797282.db2.gz SNBFYRURXVRAPA-UHFFFAOYSA-N 0 3 370.409 2.547 20 5 FFBDHN CCc1nn(C)c(N2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC000381013583 512874724 /nfs/dbraw/zinc/87/47/24/512874724.db2.gz PYPMNWCQMZQPGN-IRXDYDNUSA-N 0 3 369.469 2.849 20 5 FFBDHN O=C(CCN1C[C@H](O)C[C@@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000411920917 512875120 /nfs/dbraw/zinc/87/51/20/512875120.db2.gz CUAIMRAAEPBEFY-CRAIPNDOSA-N 0 3 355.394 2.731 20 5 FFBDHN O=C(CCN1C[C@H](O)C[C@H]1c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411932527 512879508 /nfs/dbraw/zinc/87/95/08/512879508.db2.gz GAEJBUROQPVAKG-MSOLQXFVSA-N 0 3 355.394 2.731 20 5 FFBDHN CN(CCNc1c(Br)cncc1[N+](=O)[O-])Cc1ccccc1 ZINC000386691944 512890466 /nfs/dbraw/zinc/89/04/66/512890466.db2.gz KPJMOTOECOCBCG-UHFFFAOYSA-N 0 3 365.231 2.718 20 5 FFBDHN CCOc1ccc(NC(=O)CN[C@@H](C)[C@@](C)(OC)C2CC2)c([N+](=O)[O-])c1 ZINC000411973075 512896798 /nfs/dbraw/zinc/89/67/98/512896798.db2.gz RBDDDPYTEZGPGE-KPZWWZAWSA-N 0 3 365.430 2.725 20 5 FFBDHN CNc1c(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000389892135 512903780 /nfs/dbraw/zinc/90/37/80/512903780.db2.gz WOLVNSRVWOVZMD-WMLDXEAASA-N 0 3 368.437 2.887 20 5 FFBDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000370582884 513003593 /nfs/dbraw/zinc/00/35/93/513003593.db2.gz LAIPKZQVADUZIC-KRWDZBQOSA-N 0 3 368.437 2.974 20 5 FFBDHN CCOc1cc(CN2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000372810109 513053564 /nfs/dbraw/zinc/05/35/64/513053564.db2.gz NIZGUZCUQBUEIL-FUHWJXTLSA-N 0 3 374.441 2.815 20 5 FFBDHN CN(C)CCOc1cc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])ccn1 ZINC000450297274 513128642 /nfs/dbraw/zinc/12/86/42/513128642.db2.gz IAYSKBCLFICHNP-UHFFFAOYSA-N 0 3 372.425 2.847 20 5 FFBDHN Cc1c(NC(=O)[C@H](C)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000429041008 513266934 /nfs/dbraw/zinc/26/69/34/513266934.db2.gz NTDWPAFPWWLPCP-PGSNGQOISA-N 0 3 374.485 2.892 20 5 FFBDHN COC1CCN(C(C)(C)CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000446483848 513269838 /nfs/dbraw/zinc/26/98/38/513269838.db2.gz FHIWKYGCJKBABX-UHFFFAOYSA-N 0 3 364.446 2.914 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000450866129 513374319 /nfs/dbraw/zinc/37/43/19/513374319.db2.gz SXCOYTBRKHTASU-OLMNPRSZSA-N 0 3 359.426 2.779 20 5 FFBDHN O=[N+]([O-])c1cnc2ccc(NCCN3CCC4(CCCCC4)CC3)nn21 ZINC000440676334 513378871 /nfs/dbraw/zinc/37/88/71/513378871.db2.gz RHYKVFUTDACFCZ-UHFFFAOYSA-N 0 3 358.446 2.518 20 5 FFBDHN CCN1CCN(Cc2ccccc2CNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413054012 513411158 /nfs/dbraw/zinc/41/11/58/513411158.db2.gz MAEVEJDHSQMXIA-UHFFFAOYSA-N 0 3 373.432 2.879 20 5 FFBDHN C[C@H](NC(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1)c1ccc([N+](=O)[O-])cc1 ZINC000418232533 513433612 /nfs/dbraw/zinc/43/36/12/513433612.db2.gz MWASENYUZXHTPF-DOPJRALCSA-N 0 3 354.410 2.792 20 5 FFBDHN CC(C)(CO)[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000429725982 513453455 /nfs/dbraw/zinc/45/34/55/513453455.db2.gz ZQUOKHNSQMIZIS-VQIMIIECSA-N 0 3 374.437 2.684 20 5 FFBDHN O=[N+]([O-])c1cnc(NCc2ccc(CN3CCC(O)CC3)cc2)c(F)c1 ZINC000413120739 513460502 /nfs/dbraw/zinc/46/05/02/513460502.db2.gz DASJXGRFTMDHAP-UHFFFAOYSA-N 0 3 360.389 2.698 20 5 FFBDHN C[C@@H](c1ccncc1)N1CCC(Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000425242195 513470332 /nfs/dbraw/zinc/47/03/32/513470332.db2.gz RLDUYKHPONCMKW-ZDUSSCGKSA-N 0 3 369.425 2.726 20 5 FFBDHN O=[N+]([O-])c1cnc(N2CCN(CC3CCOCC3)CC2)c(C(F)(F)F)c1 ZINC000413156092 513487960 /nfs/dbraw/zinc/48/79/60/513487960.db2.gz NLETVLKTOAUJSZ-UHFFFAOYSA-N 0 3 374.363 2.557 20 5 FFBDHN CCNC(=O)c1ccc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447564777 513509957 /nfs/dbraw/zinc/50/99/57/513509957.db2.gz ZCNPQEKJSDOETJ-IRXDYDNUSA-N 0 3 371.441 2.815 20 5 FFBDHN O=C1CC[C@@H](NCc2ccc(Br)cc2[N+](=O)[O-])C2(CCC2)N1 ZINC000425449551 513571763 /nfs/dbraw/zinc/57/17/63/513571763.db2.gz XDLMYPYXYYOLBH-CYBMUJFWSA-N 0 3 368.231 2.648 20 5 FFBDHN CN(C)[C@@H](CC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000416128967 513584465 /nfs/dbraw/zinc/58/44/65/513584465.db2.gz VNYPYRJCXMNYKX-SFHVURJKSA-N 0 3 356.426 2.816 20 5 FFBDHN CN(C(=O)[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000430306802 513617241 /nfs/dbraw/zinc/61/72/41/513617241.db2.gz XMYRTXPQBCCRGB-MRXNPFEDSA-N 0 3 369.421 2.959 20 5 FFBDHN CN(C(=O)[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000430334029 513625941 /nfs/dbraw/zinc/62/59/41/513625941.db2.gz TYAOSXBXIMSFJL-INIZCTEOSA-N 0 3 369.421 2.959 20 5 FFBDHN COc1cc(C(=O)Nc2cc(C)nn2C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000430493256 513667879 /nfs/dbraw/zinc/66/78/79/513667879.db2.gz OIDWUKVAHVEWAD-UHFFFAOYSA-N 0 3 373.413 2.627 20 5 FFBDHN COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCCN(C)C ZINC000416345139 513724102 /nfs/dbraw/zinc/72/41/02/513724102.db2.gz WVWJGOKNOIWADP-UHFFFAOYSA-N 0 3 359.382 2.796 20 5 FFBDHN CC1(C)[C@H](NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC000451478245 513775485 /nfs/dbraw/zinc/77/54/85/513775485.db2.gz JROZBAWRSFZSDS-XZJROXQQSA-N 0 3 367.833 2.980 20 5 FFBDHN CCO[C@@H]1C[C@H](N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C12CCC2 ZINC000451484535 513780156 /nfs/dbraw/zinc/78/01/56/513780156.db2.gz XGEWXSBTHRUPAP-IXDOHACOSA-N 0 3 359.426 2.637 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCNCc2ccccc21 ZINC000430919480 513781319 /nfs/dbraw/zinc/78/13/19/513781319.db2.gz QQFWJWWEIXTIGD-ZDUSSCGKSA-N 0 3 370.409 2.540 20 5 FFBDHN COc1ccc(NC(=O)CN[C@H]2C[C@@H](OC(C)C)C2(C)C)c([N+](=O)[O-])c1 ZINC000451499176 513789527 /nfs/dbraw/zinc/78/95/27/513789527.db2.gz MMHVUUCCXXOWRD-JKSUJKDBSA-N 0 3 365.430 2.724 20 5 FFBDHN Cc1cc(OCC(=O)NC[C@@H](Cc2ccccc2)N(C)C)ccc1[N+](=O)[O-] ZINC000431358294 513880711 /nfs/dbraw/zinc/88/07/11/513880711.db2.gz LWEZNPUPYPIYQG-QGZVFWFLSA-N 0 3 371.437 2.571 20 5 FFBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448780729 513896351 /nfs/dbraw/zinc/89/63/51/513896351.db2.gz KWJHYYACJWRNQQ-GJZGRUSLSA-N 0 3 361.442 2.794 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCCc2ccccc2CC1 ZINC000451709749 513928574 /nfs/dbraw/zinc/92/85/74/513928574.db2.gz LLVSUCOLKHHRIP-GOSISDBHSA-N 0 3 356.422 2.825 20 5 FFBDHN COc1cc(CNc2nccn2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000414297988 514038239 /nfs/dbraw/zinc/03/82/39/514038239.db2.gz IFLPPZUGMQDVGB-UHFFFAOYSA-N 0 3 360.292 2.890 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@]3(CCSC3)C2)c1 ZINC000451963700 514098340 /nfs/dbraw/zinc/09/83/40/514098340.db2.gz IURGVNBELQKNLI-NVXWUHKLSA-N 0 3 352.456 2.554 20 5 FFBDHN COc1cnccc1N1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432167513 514114421 /nfs/dbraw/zinc/11/44/21/514114421.db2.gz WXYBHCBILUTJIY-UHFFFAOYSA-N 0 3 365.393 2.873 20 5 FFBDHN O=C(CCN1CCNC[C@@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000420412523 514138486 /nfs/dbraw/zinc/13/84/86/514138486.db2.gz SHAOQUBKIGFZFV-GOSISDBHSA-N 0 3 354.410 2.570 20 5 FFBDHN C[C@@H]1CN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C[C@@H]1N(C)C ZINC000444156596 514138475 /nfs/dbraw/zinc/13/84/75/514138475.db2.gz DFUFSVFWDLXSCZ-PXAZEXFGSA-N 0 3 367.424 2.843 20 5 FFBDHN COc1cc(CN[C@H]2CCC[C@H](CO)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414578595 514190006 /nfs/dbraw/zinc/19/00/06/514190006.db2.gz PPXQEUSDYVIMTL-AAEUAGOBSA-N 0 3 374.384 2.888 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000427360234 514194336 /nfs/dbraw/zinc/19/43/36/514194336.db2.gz YLFODJVQHIYHCE-KSSFIOAISA-N 0 3 369.421 2.854 20 5 FFBDHN CO[C@@H]1COCC[C@H]1CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449452475 514215322 /nfs/dbraw/zinc/21/53/22/514215322.db2.gz GAQQBOIWGFJDKB-XJKSGUPXSA-N 0 3 363.439 2.859 20 5 FFBDHN C[C@@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C)N1CCO ZINC000449535807 514245179 /nfs/dbraw/zinc/24/51/79/514245179.db2.gz OQPKWEDXTQDSHE-GASCZTMLSA-N 0 3 359.426 2.742 20 5 FFBDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000452340555 514291736 /nfs/dbraw/zinc/29/17/36/514291736.db2.gz CCRSROHUKRVOKR-ZDUSSCGKSA-N 0 3 359.430 2.711 20 5 FFBDHN CN1C(=O)CC[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1=O ZINC000424205400 514416054 /nfs/dbraw/zinc/41/60/54/514416054.db2.gz MXTKDWPJMCNVKK-CQSZACIVSA-N 0 3 359.407 2.560 20 5 FFBDHN CN1C(=O)CC[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1=O ZINC000424205399 514416470 /nfs/dbraw/zinc/41/64/70/514416470.db2.gz MXTKDWPJMCNVKK-AWEZNQCLSA-N 0 3 359.407 2.560 20 5 FFBDHN CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC(OC(C)(C)C)C1 ZINC000420987650 514425703 /nfs/dbraw/zinc/42/57/03/514425703.db2.gz QIAVAIZMPFVLJE-CKDBGZEDSA-N 0 3 352.431 2.612 20 5 FFBDHN Cc1cc(NC(=O)COc2cccc([N+](=O)[O-])c2)ccc1OCCN(C)C ZINC000458195066 514619010 /nfs/dbraw/zinc/61/90/10/514619010.db2.gz KYDNBTXSCVVXQQ-UHFFFAOYSA-N 0 3 373.409 2.861 20 5 FFBDHN CN(C)CCN(Cc1ccsc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000458207719 514629433 /nfs/dbraw/zinc/62/94/33/514629433.db2.gz WGOPQWVKDJRHRC-UHFFFAOYSA-N 0 3 351.403 2.999 20 5 FFBDHN COc1cc(OCC(=O)Nc2ccc(CN(C)C)c(C)c2)ccc1[N+](=O)[O-] ZINC000458284694 514687510 /nfs/dbraw/zinc/68/75/10/514687510.db2.gz NHJMJEMKAALRQG-UHFFFAOYSA-N 0 3 373.409 2.991 20 5 FFBDHN C[C@@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCCC[C@H]1C ZINC000479858255 514746958 /nfs/dbraw/zinc/74/69/58/514746958.db2.gz AUXVGQIPCCVPKS-CABCVRRESA-N 0 3 371.441 2.773 20 5 FFBDHN CN(C)CC1(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000508638251 514851998 /nfs/dbraw/zinc/85/19/98/514851998.db2.gz QWUNCQZLEUVQQS-UHFFFAOYSA-N 0 3 360.439 2.932 20 5 FFBDHN CN(C)[C@H](CNc1ncnc2cccc([N+](=O)[O-])c21)c1ccc(F)cc1 ZINC000509029234 514995074 /nfs/dbraw/zinc/99/50/74/514995074.db2.gz DISNNYHBDKNOLK-MRXNPFEDSA-N 0 3 355.373 2.814 20 5 FFBDHN COc1cc(CN[C@@H]2CC[C@H](OC)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000471796196 515014523 /nfs/dbraw/zinc/01/45/23/515014523.db2.gz CQGWVTAACZNJER-NEPJUHHUSA-N 0 3 360.357 2.904 20 5 FFBDHN C[C@H](NCCCCN1C(=O)NC2(CCCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000480767031 515075430 /nfs/dbraw/zinc/07/54/30/515075430.db2.gz SDTZKOPRHUTYQO-AWEZNQCLSA-N 0 3 374.441 2.890 20 5 FFBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000485903450 515249579 /nfs/dbraw/zinc/24/95/79/515249579.db2.gz DXTULWNTUKHQEW-VXGBXAGGSA-N 0 3 355.385 2.652 20 5 FFBDHN COc1ccc(CN2CCC(CNC(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)cc1 ZINC000499295756 515273774 /nfs/dbraw/zinc/27/37/74/515273774.db2.gz KLOUQJQRQFJSMY-UHFFFAOYSA-N 0 3 372.425 2.574 20 5 FFBDHN CNc1c(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)cccc1[N+](=O)[O-] ZINC000462907851 515293146 /nfs/dbraw/zinc/29/31/46/515293146.db2.gz UQUUMHYUMWCFCL-OAHLLOKOSA-N 0 3 356.426 2.539 20 5 FFBDHN CN(Cc1ccccc1)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)C1CC1 ZINC000477298947 515404293 /nfs/dbraw/zinc/40/42/93/515404293.db2.gz YJGHXWKUSSZBTR-KRWDZBQOSA-N 0 3 356.426 2.574 20 5 FFBDHN CN1C[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@@H](c2ccccc2)C1 ZINC000481793546 515468910 /nfs/dbraw/zinc/46/89/10/515468910.db2.gz KKWMTEZKDDGUMM-MJGOQNOKSA-N 0 3 364.405 2.904 20 5 FFBDHN CN(C)CCOc1cc(CNc2nc3ccccc3cc2[N+](=O)[O-])ccn1 ZINC000473533969 515651610 /nfs/dbraw/zinc/65/16/10/515651610.db2.gz OZRHZVQFLRGZKB-UHFFFAOYSA-N 0 3 367.409 2.512 20 5 FFBDHN C[C@@H]1CN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H](C)CN1 ZINC000505857070 515698394 /nfs/dbraw/zinc/69/83/94/515698394.db2.gz NQPKRAIWSCZVEE-GHMZBOCLSA-N 0 3 374.363 2.624 20 5 FFBDHN Cc1ccc(S(=O)(=O)NC[C@H](C2CCCCC2)N(C)C)c([N+](=O)[O-])c1 ZINC000473903405 515796497 /nfs/dbraw/zinc/79/64/97/515796497.db2.gz HGXXVUGOHQRNHR-MRXNPFEDSA-N 0 3 369.487 2.692 20 5 FFBDHN Cc1c(CNC(=O)NC[C@H](Cc2ccccc2)N(C)C)cccc1[N+](=O)[O-] ZINC000478460836 515833684 /nfs/dbraw/zinc/83/36/84/515833684.db2.gz KCYMKSZJSMVKOW-SFHVURJKSA-N 0 3 370.453 2.875 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCN1C ZINC000501087496 515974056 /nfs/dbraw/zinc/97/40/56/515974056.db2.gz UQWQGTDFMDRWST-ONGXEEELSA-N 0 3 371.235 2.962 20 5 FFBDHN COC(=O)COc1ccc(CNCc2sccc2C)cc1[N+](=O)[O-] ZINC000474365411 516014238 /nfs/dbraw/zinc/01/42/38/516014238.db2.gz ARUIJOFVMNLPPA-UHFFFAOYSA-N 0 3 350.396 2.806 20 5 FFBDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000464937344 516020618 /nfs/dbraw/zinc/02/06/18/516020618.db2.gz RIGUEYAQFFSTLV-KRWDZBQOSA-N 0 3 370.453 2.918 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000501234353 516026006 /nfs/dbraw/zinc/02/60/06/516026006.db2.gz OJGRFUAPHZESPR-GDBMZVCRSA-N 0 3 354.410 2.864 20 5 FFBDHN CN(CCN(C)C1CC1)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000474555834 516093894 /nfs/dbraw/zinc/09/38/94/516093894.db2.gz JPFILOUHKJAYNQ-UHFFFAOYSA-N 0 3 357.863 2.893 20 5 FFBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000507618706 516264251 /nfs/dbraw/zinc/26/42/51/516264251.db2.gz SXERDXXWNYOCIL-RDJZCZTQSA-N 0 3 369.421 2.925 20 5 FFBDHN Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(C2CCCCC2)CC1 ZINC000507871226 516316591 /nfs/dbraw/zinc/31/65/91/516316591.db2.gz VMPRATUTLLRATC-UHFFFAOYSA-N 0 3 370.457 2.845 20 5 FFBDHN CC(=O)c1cc(N2CC[C@H](OCCN3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000557640184 516353204 /nfs/dbraw/zinc/35/32/04/516353204.db2.gz QOPNFMKNLWTNSP-KRWDZBQOSA-N 0 3 361.442 2.879 20 5 FFBDHN Cc1cccc(NCCN[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000540155443 516457867 /nfs/dbraw/zinc/45/78/67/516457867.db2.gz GBPCFZFLAVVXNG-AWEZNQCLSA-N 0 3 357.414 2.717 20 5 FFBDHN NC(=O)c1cccc(NC[C@@H]2CCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000561232494 516468081 /nfs/dbraw/zinc/46/80/81/516468081.db2.gz VSWUYTFRGNFWMM-HNNXBMFYSA-N 0 3 354.410 2.770 20 5 FFBDHN CN1CCN(CCCNc2ccc([N+](=O)[O-])nc2)[C@@H](c2ccccc2)C1 ZINC000513103549 516476465 /nfs/dbraw/zinc/47/64/65/516476465.db2.gz WKWAJUDDIXPOLG-GOSISDBHSA-N 0 3 355.442 2.781 20 5 FFBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000557877161 516483286 /nfs/dbraw/zinc/48/32/86/516483286.db2.gz AKYCUOJHBRQFFU-CVEARBPZSA-N 0 3 362.474 2.899 20 5 FFBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)C1 ZINC000561347279 516534819 /nfs/dbraw/zinc/53/48/19/516534819.db2.gz IDPLMKXOSNMIJX-AHIWAGSCSA-N 0 3 365.861 2.979 20 5 FFBDHN CN(C)CCN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1CCCC1 ZINC000523664255 516537543 /nfs/dbraw/zinc/53/75/43/516537543.db2.gz MVCSPOPUNWKIOA-UHFFFAOYSA-N 0 3 371.441 2.727 20 5 FFBDHN CN(CCCN1C(=O)c2ccccc2C1=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000561404218 516563501 /nfs/dbraw/zinc/56/35/01/516563501.db2.gz RZPIVAKBFSOWCE-UHFFFAOYSA-N 0 3 353.378 2.713 20 5 FFBDHN C[C@@H](NCCOc1ccc(S(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000531720452 516610198 /nfs/dbraw/zinc/61/01/98/516610198.db2.gz OHNCZQNZLAPRLM-CYBMUJFWSA-N 0 3 364.423 2.728 20 5 FFBDHN COCC[C@H](C)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000558490874 516774866 /nfs/dbraw/zinc/77/48/66/516774866.db2.gz KRCKNACVWQRROQ-VIFPVBQESA-N 0 3 364.183 2.714 20 5 FFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C[C@H]1C ZINC000544655996 516859047 /nfs/dbraw/zinc/85/90/47/516859047.db2.gz VGEJWRDABHVNSO-UKRRQHHQSA-N 0 3 369.487 2.705 20 5 FFBDHN COC(=O)CC1(NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000548426819 516977342 /nfs/dbraw/zinc/97/73/42/516977342.db2.gz LVKAKOIZIOSKRF-UHFFFAOYSA-N 0 3 369.805 2.652 20 5 FFBDHN Cc1ccc([C@@H](CC(=O)OC(C)C)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000537166681 517065221 /nfs/dbraw/zinc/06/52/21/517065221.db2.gz XBCIEUDMUYEDEW-QGZVFWFLSA-N 0 3 360.414 2.772 20 5 FFBDHN C[C@@H]1CCCN(CCN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000552254473 517164150 /nfs/dbraw/zinc/16/41/50/517164150.db2.gz GHSOOFHKVVSOIX-QAPCUYQASA-N 0 3 357.458 2.739 20 5 FFBDHN CN(C)C[C@@H](O)COc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000519895411 517237289 /nfs/dbraw/zinc/23/72/89/517237289.db2.gz CFVDZYQNGQRXIS-MRXNPFEDSA-N 0 3 374.397 2.540 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000552513153 517291495 /nfs/dbraw/zinc/29/14/95/517291495.db2.gz ILTQCICOILRBLE-QAPCUYQASA-N 0 3 360.385 2.963 20 5 FFBDHN COc1ccc(-c2ccc(CNCC(C)(C)OCCO)o2)c([N+](=O)[O-])c1 ZINC000515400404 517335302 /nfs/dbraw/zinc/33/53/02/517335302.db2.gz LSEGKZWPESBHRM-UHFFFAOYSA-N 0 3 364.398 2.741 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(OC(C)C)CC1 ZINC000533475394 517482423 /nfs/dbraw/zinc/48/24/23/517482423.db2.gz ASFGPIWGUCEZBB-UHFFFAOYSA-N 0 3 365.430 2.821 20 5 FFBDHN Cc1ccc([C@@H](C)NC[C@H](O)COc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000538277658 517536179 /nfs/dbraw/zinc/53/61/79/517536179.db2.gz WSRRWRFYNKVHRX-HIFRSBDPSA-N 0 3 374.393 2.722 20 5 FFBDHN CC[C@H](C)N[C@H](CNc1ncc(C(=O)OC)cc1[N+](=O)[O-])c1ccco1 ZINC000553264537 517611766 /nfs/dbraw/zinc/61/17/66/517611766.db2.gz MMYRIKDAXJXTBV-WCQYABFASA-N 0 3 362.386 2.911 20 5 FFBDHN COc1cc(CNC[C@]2(O)CCC[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000556958067 517774879 /nfs/dbraw/zinc/77/48/79/517774879.db2.gz CAGVBDKRAXSXJI-PIGZYNQJSA-N 0 3 374.384 2.888 20 5 FFBDHN Cc1c(NC(=O)CCN[C@@H](CO)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000563261614 517777038 /nfs/dbraw/zinc/77/70/38/517777038.db2.gz GIRJCYSBJSXGNN-INIZCTEOSA-N 0 3 361.373 2.694 20 5 FFBDHN CC(C)Oc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)N(C)C)cc1 ZINC000553671649 517842555 /nfs/dbraw/zinc/84/25/55/517842555.db2.gz UAQREAAPEWXUOA-SFHVURJKSA-N 0 3 374.441 2.753 20 5 FFBDHN CCC[C@H](C)[C@H](CC)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000539073127 517902423 /nfs/dbraw/zinc/90/24/23/517902423.db2.gz NYFNKUXDBFHWFA-KBPBESRZSA-N 0 3 357.476 2.678 20 5 FFBDHN C[C@H]([C@H]1Cc2ccccc2O1)N(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000543136552 517927241 /nfs/dbraw/zinc/92/72/41/517927241.db2.gz HNVZZXQKYIOJIL-AKCHCHLHSA-N 0 3 372.421 2.659 20 5 FFBDHN O=c1cccc2n1C[C@H]1C[C@@H]2CN([C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000517173621 518050366 /nfs/dbraw/zinc/05/03/66/518050366.db2.gz YNUOLDHMBAHOFF-PMUMKWKESA-N 0 3 351.406 2.863 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CN(CC(C)(C)O)C1CCOCC1 ZINC000539835438 518170600 /nfs/dbraw/zinc/17/06/00/518170600.db2.gz CSZHTAZATJDGDW-UHFFFAOYSA-N 0 3 352.431 2.745 20 5 FFBDHN CC(C)Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)N(C)C)cc1 ZINC000564030461 518274304 /nfs/dbraw/zinc/27/43/04/518274304.db2.gz YXAYBCLKSDHEIC-MRXNPFEDSA-N 0 3 359.430 2.549 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000564132035 518317995 /nfs/dbraw/zinc/31/79/95/518317995.db2.gz ZMKUHRGIMXWUFE-OXQOHEQNSA-N 0 3 368.437 2.877 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000570032329 518408179 /nfs/dbraw/zinc/40/81/79/518408179.db2.gz ZLAAOJDEJHZJBG-KRWDZBQOSA-N 0 3 355.394 2.722 20 5 FFBDHN CC1=C[C@H](C)C[C@H](CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000564579912 518512298 /nfs/dbraw/zinc/51/22/98/518512298.db2.gz WOKVOKJKHWFERN-ZFWWWQNUSA-N 0 3 352.456 2.951 20 5 FFBDHN CC1CCN(CCNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000570310598 518544786 /nfs/dbraw/zinc/54/47/86/518544786.db2.gz NXZLPNNKDLZMEA-UHFFFAOYSA-N 0 3 373.457 2.650 20 5 FFBDHN COC(=O)c1cc(C)nc(N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000579154211 518546056 /nfs/dbraw/zinc/54/60/56/518546056.db2.gz XLVSUTXSHGAQOS-SCRDCRAPSA-N 0 3 364.446 2.863 20 5 FFBDHN CCN(C[C@H]1CCCN1CC)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000582081315 518579350 /nfs/dbraw/zinc/57/93/50/518579350.db2.gz APAATHDRIUYROC-QGZVFWFLSA-N 0 3 371.441 2.727 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCCc2ccccc2F)cc1 ZINC000582117782 518596581 /nfs/dbraw/zinc/59/65/81/518596581.db2.gz GWRCMPXZUJKDFM-UHFFFAOYSA-N 0 3 366.414 2.730 20 5 FFBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000567625037 518620696 /nfs/dbraw/zinc/62/06/96/518620696.db2.gz CKLLBHJYVLUOEE-KWCYVHTRSA-N 0 3 367.833 2.711 20 5 FFBDHN CSCc1ccc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000579464753 518692923 /nfs/dbraw/zinc/69/29/23/518692923.db2.gz OJDOFOXCAAUTII-KRWDZBQOSA-N 0 3 362.451 2.987 20 5 FFBDHN CNC(=O)[C@H](CNCc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1C ZINC000564960833 518715885 /nfs/dbraw/zinc/71/58/85/518715885.db2.gz IZNDCRGJCCIGDV-INIZCTEOSA-N 0 3 359.401 2.737 20 5 FFBDHN COc1cccc2c1CC[C@@H]2NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000570837339 518805014 /nfs/dbraw/zinc/80/50/14/518805014.db2.gz QYYSOGDYRGYMMR-KSSFIOAISA-N 0 3 358.394 2.620 20 5 FFBDHN O=[N+]([O-])c1cc(Br)ccc1N[C@@H](CO)CN1CCCCC1 ZINC000589101229 518914855 /nfs/dbraw/zinc/91/48/55/518914855.db2.gz IUMMNUSZJZLTIQ-GFCCVEGCSA-N 0 3 358.236 2.616 20 5 FFBDHN C[C@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCCC[C@@H]1C ZINC000565502246 518988364 /nfs/dbraw/zinc/98/83/64/518988364.db2.gz ABTQXLHMEPZTKM-NWDGAFQWSA-N 0 3 355.385 2.795 20 5 FFBDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000577341680 519029548 /nfs/dbraw/zinc/02/95/48/519029548.db2.gz FOFRQJCGVKIDQU-ZDUSSCGKSA-N 0 3 363.414 2.564 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](SC)[C@H](N(C)C)C1 ZINC000574243340 519056862 /nfs/dbraw/zinc/05/68/62/519056862.db2.gz DTXRNLDSLRITPY-HUUCEWRRSA-N 0 3 352.460 2.667 20 5 FFBDHN C[C@@H]1CN(CC2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)C[C@H](C)O1 ZINC000574257132 519065249 /nfs/dbraw/zinc/06/52/49/519065249.db2.gz XSKXBESURGMWKC-OKILXGFUSA-N 0 3 373.457 2.797 20 5 FFBDHN O=[N+]([O-])c1ccc(CN[C@H](C2CC2)C2(CO)CCOCC2)c(Cl)c1 ZINC000590378387 519210649 /nfs/dbraw/zinc/21/06/49/519210649.db2.gz GPYALAZFPICTBM-MRXNPFEDSA-N 0 3 354.834 2.906 20 5 FFBDHN COc1ccccc1COC[C@H](O)CNCc1cccc([N+](=O)[O-])c1C ZINC000571672254 519212888 /nfs/dbraw/zinc/21/28/88/519212888.db2.gz VLTOAVVRGRTNDW-QGZVFWFLSA-N 0 3 360.410 2.579 20 5 FFBDHN COC1CCN(C(C)(C)CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000580546282 519231911 /nfs/dbraw/zinc/23/19/11/519231911.db2.gz ZMXGJFTWCMEOMS-AWEZNQCLSA-N 0 3 363.458 2.704 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H](c2ccccn2)C1 ZINC000590599084 519283444 /nfs/dbraw/zinc/28/34/44/519283444.db2.gz AAJCNIQSDXBRAU-CVEARBPZSA-N 0 3 357.410 2.609 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](C(C)C)[C@H](CO)C(C)C)c1 ZINC000590659161 519306546 /nfs/dbraw/zinc/30/65/46/519306546.db2.gz AOENUISLRUEEDW-WBVHZDCISA-N 0 3 352.431 2.760 20 5 FFBDHN CCO[C@@H]1C[C@@H](NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C12CCCC2 ZINC000590739520 519341364 /nfs/dbraw/zinc/34/13/64/519341364.db2.gz WAVYGNDBHZAWAH-QZTJIDSGSA-N 0 3 373.453 2.811 20 5 FFBDHN COc1cccc([N+](=O)[O-])c1N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000574842841 519360407 /nfs/dbraw/zinc/36/04/07/519360407.db2.gz ILLHRQSDPAUKOW-GJZGRUSLSA-N 0 3 363.458 2.929 20 5 FFBDHN Cc1c(CNC(=O)N2CCc3ccccc3[C@H]2CN)cccc1[N+](=O)[O-] ZINC000566191634 519362204 /nfs/dbraw/zinc/36/22/04/519362204.db2.gz QZZLETVIEBSJJT-GOSISDBHSA-N 0 3 354.410 2.671 20 5 FFBDHN O=C(N[C@H]1CCN(CC2CC2)C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590806561 519380056 /nfs/dbraw/zinc/38/00/56/519380056.db2.gz RMMICKYRKJIOBK-ROUUACIJSA-N 0 3 372.469 2.968 20 5 FFBDHN CN1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC12CCCCC2 ZINC000574887695 519385380 /nfs/dbraw/zinc/38/53/80/519385380.db2.gz AFCDHGCXVMVANV-UHFFFAOYSA-N 0 3 361.442 2.912 20 5 FFBDHN Cc1nn(C)cc1[C@@H]1CCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000591016063 519477923 /nfs/dbraw/zinc/47/79/23/519477923.db2.gz OLRHIDSJYDBRHZ-KRWDZBQOSA-N 0 3 357.414 2.802 20 5 FFBDHN Cc1ccnc([C@@H]2CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)c1 ZINC000566429314 519488570 /nfs/dbraw/zinc/48/85/70/519488570.db2.gz SNYLECDLDHUMCB-CVEARBPZSA-N 0 3 357.410 2.527 20 5 FFBDHN O=C(CCN[C@@H](CO)c1ccc(Cl)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000575165528 519535492 /nfs/dbraw/zinc/53/54/92/519535492.db2.gz PUAUOYWEEAJINW-HNNXBMFYSA-N 0 3 363.801 2.900 20 5 FFBDHN C[C@@H]1CCCN(CCNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000569444339 519552648 /nfs/dbraw/zinc/55/26/48/519552648.db2.gz IOKJFQDGQWCWCT-CQSZACIVSA-N 0 3 373.457 2.650 20 5 FFBDHN C[C@H](C(=O)NCc1ccc(OCCN(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000572341991 519564629 /nfs/dbraw/zinc/56/46/29/519564629.db2.gz LWYCVXCVKDDATN-HNNXBMFYSA-N 0 3 371.437 2.955 20 5 FFBDHN Cc1ccc([C@H](C)NC(=O)Nc2cnc3c(c2)CNCC3)cc1[N+](=O)[O-] ZINC000591310734 519585886 /nfs/dbraw/zinc/58/58/86/519585886.db2.gz GSPPBFJHGWQNLF-LBPRGKRZSA-N 0 3 355.398 2.827 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCN[C@H](c2ccncc2)C2(CO)CCC2)cc1 ZINC000602903329 519961273 /nfs/dbraw/zinc/96/12/73/519961273.db2.gz QQYASRJLAUUXBY-GOSISDBHSA-N 0 3 357.410 2.862 20 5 FFBDHN CCC(C)(C)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)CC1 ZINC000594472668 519983036 /nfs/dbraw/zinc/98/30/36/519983036.db2.gz JIZBRDFDTDZBSH-UHFFFAOYSA-N 0 3 358.446 2.701 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594515083 520010213 /nfs/dbraw/zinc/01/02/13/520010213.db2.gz QARPSMMTPNMJAC-SOUVJXGZSA-N 0 3 351.447 2.581 20 5 FFBDHN CN(C)CCOc1cnccc1CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594518387 520012649 /nfs/dbraw/zinc/01/26/49/520012649.db2.gz HDGRNVIBPJZPFA-QGZVFWFLSA-N 0 3 356.426 2.707 20 5 FFBDHN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594604058 520050485 /nfs/dbraw/zinc/05/04/85/520050485.db2.gz XRPKZDRUBPUBKI-MJGOQNOKSA-N 0 3 374.485 2.856 20 5 FFBDHN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCCN(c2ccncc2)CC1 ZINC000603081383 520068104 /nfs/dbraw/zinc/06/81/04/520068104.db2.gz ACJJGYVVNAXEJR-UHFFFAOYSA-N 0 3 369.425 2.531 20 5 FFBDHN COc1cc(CNc2ccc([C@H]3CNCCO3)cc2)c([N+](=O)[O-])cc1OC ZINC000594739896 520125026 /nfs/dbraw/zinc/12/50/26/520125026.db2.gz RLBKSOIGOYHKES-LJQANCHMSA-N 0 3 373.409 2.885 20 5 FFBDHN COc1cc(C(=O)NC[C@H]2CCN2C2CCCCC2)c([N+](=O)[O-])cc1F ZINC000600230353 520141135 /nfs/dbraw/zinc/14/11/35/520141135.db2.gz RQDZRKFJTWBGDY-CYBMUJFWSA-N 0 3 365.405 2.879 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](n2ccnc2)C1 ZINC000609157511 520213969 /nfs/dbraw/zinc/21/39/69/520213969.db2.gz ZZEHTUJUMJMONH-MRXNPFEDSA-N 0 3 357.414 2.765 20 5 FFBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC2CCN([C@@H]3CCOC3)CC2)c1 ZINC000594994389 520248254 /nfs/dbraw/zinc/24/82/54/520248254.db2.gz UMPXEEXPMVLGKM-OAHLLOKOSA-N 0 3 371.384 2.539 20 5 FFBDHN COc1ccc(CN[C@H]2C[C@H](O)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000594998049 520249047 /nfs/dbraw/zinc/24/90/47/520249047.db2.gz FVQHDDFJZFTTRH-JCNLHEQBSA-N 0 3 358.394 2.795 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC3(CC=CC3)[C@H]2c2ccccc2)c1 ZINC000592188896 520255068 /nfs/dbraw/zinc/25/50/68/520255068.db2.gz UWPQXAWUOYXXKM-QZTJIDSGSA-N 0 3 354.410 2.546 20 5 FFBDHN CNC(=O)c1cccc(CCN[C@H](C)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000595009852 520255142 /nfs/dbraw/zinc/25/51/42/520255142.db2.gz TXQDAOXQGQUTRS-CYBMUJFWSA-N 0 3 357.410 2.856 20 5 FFBDHN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NC[C@@H]1CSCCN1 ZINC000603418557 520257472 /nfs/dbraw/zinc/25/74/72/520257472.db2.gz GBCXFAFBYRGIFY-SSDOTTSWSA-N 0 3 372.319 2.761 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCCNC(=O)c1cccc(O)c1 ZINC000595040874 520266568 /nfs/dbraw/zinc/26/65/68/520266568.db2.gz PGRLTYXLLIIVID-CYBMUJFWSA-N 0 3 373.409 2.780 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CCC[C@H]2CN(C(C)=O)C[C@@H]21 ZINC000595046899 520267720 /nfs/dbraw/zinc/26/77/20/520267720.db2.gz CXHFOYVBTDUUCW-CSBKYJRVSA-N 0 3 361.442 2.901 20 5 FFBDHN O=C(NC[C@H]1CCN1C1CCCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600470131 520279044 /nfs/dbraw/zinc/27/90/44/520279044.db2.gz GDFKXORVNTUXQM-QGZVFWFLSA-N 0 3 369.425 2.527 20 5 FFBDHN O=C(NCC1(N2CCSCC2)CCCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609441174 520310272 /nfs/dbraw/zinc/31/02/72/520310272.db2.gz DSNOIUBPCDWYGE-UHFFFAOYSA-N 0 3 367.446 2.825 20 5 FFBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000613180810 520371113 /nfs/dbraw/zinc/37/11/13/520371113.db2.gz BXNQGFJMDGBDLC-OAHLLOKOSA-N 0 3 359.430 2.560 20 5 FFBDHN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc([C@H]2CNCCO2)cc1 ZINC000595256136 520374916 /nfs/dbraw/zinc/37/49/16/520374916.db2.gz BJFGBGJXZPZSHL-GOSISDBHSA-N 0 3 371.393 2.663 20 5 FFBDHN CCN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H]1CCN(CC)C1 ZINC000598044152 520392701 /nfs/dbraw/zinc/39/27/01/520392701.db2.gz YPGRTEUXIGIMMU-KRWDZBQOSA-N 0 3 374.485 2.754 20 5 FFBDHN CCOc1cc(NC(=O)N[C@@H]2CCCN(C)C2)c([N+](=O)[O-])cc1OCC ZINC000604230119 520495183 /nfs/dbraw/zinc/49/51/83/520495183.db2.gz SVJBGNIQYHEGND-GFCCVEGCSA-N 0 3 366.418 2.608 20 5 FFBDHN COc1cc(C(=O)N[C@@H]2CCN(C3CCCCC3)C2)c([N+](=O)[O-])cc1F ZINC000598218078 520499074 /nfs/dbraw/zinc/49/90/74/520499074.db2.gz FDIGBFSKJPNXAJ-GFCCVEGCSA-N 0 3 365.405 2.879 20 5 FFBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598261439 520525824 /nfs/dbraw/zinc/52/58/24/520525824.db2.gz FLULJWNVFZFRDO-HNNXBMFYSA-N 0 3 371.441 2.631 20 5 FFBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000604472371 520570894 /nfs/dbraw/zinc/57/08/94/520570894.db2.gz UZQNWGNAUNJTOD-MRXNPFEDSA-N 0 3 356.426 2.575 20 5 FFBDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000610297749 520627989 /nfs/dbraw/zinc/62/79/89/520627989.db2.gz PUPUABSRTINNGV-HNNXBMFYSA-N 0 3 372.400 2.663 20 5 FFBDHN CN1C[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)[C@H](c2ccccc2)C1 ZINC000592881914 520631495 /nfs/dbraw/zinc/63/14/95/520631495.db2.gz PAEVFSOTCOUCKU-PBHICJAKSA-N 0 3 357.385 2.809 20 5 FFBDHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@H]1CN1CCCCC1 ZINC000601147649 520659511 /nfs/dbraw/zinc/65/95/11/520659511.db2.gz VKKPBWDSLOPCIO-NSHDSACASA-N 0 3 361.368 2.802 20 5 FFBDHN C[C@@H]1CN(C2CCOCC2)CCN1c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601154310 520663981 /nfs/dbraw/zinc/66/39/81/520663981.db2.gz GKTYRAYOMXVWAU-CQSZACIVSA-N 0 3 356.426 2.833 20 5 FFBDHN Cc1sc(C(=O)N2CC3(CCCC3)OC[C@H]2CN(C)C)cc1[N+](=O)[O-] ZINC000598536195 520687224 /nfs/dbraw/zinc/68/72/24/520687224.db2.gz OGTISDMJBABXNP-CYBMUJFWSA-N 0 3 367.471 2.680 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 ZINC000593026454 520691506 /nfs/dbraw/zinc/69/15/06/520691506.db2.gz BSAZKDCNKRHAJU-USXIJHARSA-N 0 3 360.410 2.819 20 5 FFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C[C@@H]1C ZINC000598605294 520737106 /nfs/dbraw/zinc/73/71/06/520737106.db2.gz BDQYJAZNMZSWNV-DZGCQCFKSA-N 0 3 369.487 2.705 20 5 FFBDHN CC[C@@H](CN1CCCC1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000610914482 520902552 /nfs/dbraw/zinc/90/25/52/520902552.db2.gz YVQCNLGJWWLHFZ-ZDUSSCGKSA-N 0 3 370.247 2.962 20 5 FFBDHN Cc1cc(NCc2cccc(C(=O)NCCN(C)C)c2)c([N+](=O)[O-])s1 ZINC000596107615 520916269 /nfs/dbraw/zinc/91/62/69/520916269.db2.gz ZANRIDFNZWHFLC-UHFFFAOYSA-N 0 3 362.455 2.868 20 5 FFBDHN O=c1[n-]ccc(NCc2ccc(OCC[NH+]3CCCC3)cc2)c1[N+](=O)[O-] ZINC000596124684 520927060 /nfs/dbraw/zinc/92/70/60/520927060.db2.gz YACNUVCVNIJGKN-UHFFFAOYSA-N 0 3 358.398 2.782 20 5 FFBDHN COC(=O)c1c(Cl)c(N(C)[C@@H]2CCN(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000596137769 520934184 /nfs/dbraw/zinc/93/41/84/520934184.db2.gz WIOKWAQVWVFWCU-WDEREUQCSA-N 0 3 355.822 2.954 20 5 FFBDHN CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CCN1Cc1ccccc1 ZINC000596191953 520962830 /nfs/dbraw/zinc/96/28/30/520962830.db2.gz IRPYGGLLVOOJOJ-MRXNPFEDSA-N 0 3 368.437 2.795 20 5 FFBDHN Cc1ccc(CNCC2(OCCO)CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000598992972 520966155 /nfs/dbraw/zinc/96/61/55/520966155.db2.gz FWVFODFYQFXMTF-UHFFFAOYSA-N 0 3 358.385 2.950 20 5 FFBDHN COc1cc(CNCC2COC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000599010499 520977677 /nfs/dbraw/zinc/97/76/77/520977677.db2.gz AFFMPYWZALHDAM-UHFFFAOYSA-N 0 3 358.394 2.918 20 5 FFBDHN COc1ccc(CN(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cn1 ZINC000611140054 521006240 /nfs/dbraw/zinc/00/62/40/521006240.db2.gz QBOCRNXQVSWUSV-UHFFFAOYSA-N 0 3 358.398 2.767 20 5 FFBDHN C[C@@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)CC[C@H]1N1CCN(C)CC1 ZINC000593463959 521009264 /nfs/dbraw/zinc/00/92/64/521009264.db2.gz ALAQFNRJUXZWMV-DNVCBOLYSA-N 0 3 369.469 2.605 20 5 FFBDHN CC(C)(C)N1CC[C@H]1CNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000596309474 521020970 /nfs/dbraw/zinc/02/09/70/521020970.db2.gz SCQPTKQUJMMZDU-ZDUSSCGKSA-N 0 3 366.437 2.855 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cccc(CN(C)C)c1 ZINC000601932156 521033955 /nfs/dbraw/zinc/03/39/55/521033955.db2.gz JYIVUPRFOUSRIS-UHFFFAOYSA-N 0 3 358.398 2.716 20 5 FFBDHN CCN(C[C@@H]1CCOC1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000611205368 521037355 /nfs/dbraw/zinc/03/73/55/521037355.db2.gz YHHNUCXOBQGPBK-NEPJUHHUSA-N 0 3 355.822 2.934 20 5 FFBDHN O=C(NC[C@@H]1CCN(C2CC2)C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599125520 521043001 /nfs/dbraw/zinc/04/30/01/521043001.db2.gz HIFQPJTWKUNSTI-JTQLQIEISA-N 0 3 368.231 2.571 20 5 FFBDHN CN1CC[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000593559783 521076538 /nfs/dbraw/zinc/07/65/38/521076538.db2.gz NMFMADGXWJCLPV-QFBILLFUSA-N 0 3 357.385 2.838 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CNCCSCC(F)(F)F)OCCO2 ZINC000611278650 521077178 /nfs/dbraw/zinc/07/71/78/521077178.db2.gz RSXNEHUINIAEFH-UHFFFAOYSA-N 0 3 352.334 2.751 20 5 FFBDHN Cc1cc(NC[C@@H]2CC(=O)N(C(C)(C)C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000596518795 521112758 /nfs/dbraw/zinc/11/27/58/521112758.db2.gz FNKXMMMNBHPJGI-ZDUSSCGKSA-N 0 3 356.426 2.932 20 5 FFBDHN O=[N+]([O-])c1ccc(CN2CCCN(C[C@H]3CCCO3)CC2)c(Cl)c1 ZINC000611773138 521323492 /nfs/dbraw/zinc/32/34/92/521323492.db2.gz AYPPADNGKAYICO-MRXNPFEDSA-N 0 3 353.850 2.935 20 5 FFBDHN CC1(C)C(=O)N[C@@H]1C1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593993373 521335127 /nfs/dbraw/zinc/33/51/27/521335127.db2.gz OJPRUKRWKRUBCA-QGZVFWFLSA-N 0 3 361.442 2.600 20 5 FFBDHN CCC(C)(C)N1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000594021290 521354138 /nfs/dbraw/zinc/35/41/38/521354138.db2.gz SDDNQIIXAFTEGT-QGZVFWFLSA-N 0 3 360.458 2.506 20 5 FFBDHN CCC1(N2CCOCC2)CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000599665440 521377188 /nfs/dbraw/zinc/37/71/88/521377188.db2.gz VMDYFRIDEIQFRP-UHFFFAOYSA-N 0 3 363.458 2.680 20 5 FFBDHN O=[N+]([O-])c1ccn(CCN[C@@H](CCO)c2cc(Cl)cc(Cl)c2)n1 ZINC000599665273 521377597 /nfs/dbraw/zinc/37/75/97/521377597.db2.gz IHDORWCRXYUVEF-ZDUSSCGKSA-N 0 3 359.213 2.811 20 5 FFBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594198136 521464309 /nfs/dbraw/zinc/46/43/09/521464309.db2.gz SJRNZFFUGYKQCH-CVEARBPZSA-N 0 3 351.834 2.924 20 5 FFBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000594200281 521466079 /nfs/dbraw/zinc/46/60/79/521466079.db2.gz KMSQHOWGEBEMOB-CVEARBPZSA-N 0 3 369.425 2.527 20 5 FFBDHN COC[C@@H](CCNCc1cc(Br)c([N+](=O)[O-])s1)OC ZINC000602706517 521487080 /nfs/dbraw/zinc/48/70/80/521487080.db2.gz PCRLMYZCZSRQKZ-MRVPVSSYSA-N 0 3 353.238 2.560 20 5 FFBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC1CCN([C@H]2CCOC2)CC1 ZINC000602717880 521493491 /nfs/dbraw/zinc/49/34/91/521493491.db2.gz JPIOXBWLOMFLQG-HNNXBMFYSA-N 0 3 373.375 2.957 20 5 FFBDHN CCCN1CC[C@H](NCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000597222722 521583236 /nfs/dbraw/zinc/58/32/36/521583236.db2.gz GFRAWSYMEMXMGA-ZDUSSCGKSA-N 0 3 373.400 2.821 20 5 FFBDHN CC[C@@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C[C@H](C)N1 ZINC000620905789 522505883 /nfs/dbraw/zinc/50/58/83/522505883.db2.gz BMGPFQUSIRLQRA-JKSUJKDBSA-N 0 3 363.461 2.754 20 5 FFBDHN O=[N+]([O-])c1cnc(NCCCCCCC[NH+]2CCCC2)c(-c2nnn[n-]2)c1 ZINC000738373691 598500242 /nfs/dbraw/zinc/50/02/42/598500242.db2.gz FRPIIQSCYQXCRL-UHFFFAOYSA-N 0 3 374.449 2.628 20 5 FFBDHN O=[N+]([O-])c1cnc(NCCCCCCC[NH+]2CCCC2)c(-c2nn[n-]n2)c1 ZINC000738373691 598500243 /nfs/dbraw/zinc/50/02/43/598500243.db2.gz FRPIIQSCYQXCRL-UHFFFAOYSA-N 0 3 374.449 2.628 20 5 FFBDHN C[C@H]([NH2+]CCOc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820420568 599694147 /nfs/dbraw/zinc/69/41/47/599694147.db2.gz SZQMWZHLOVZQIK-LBPRGKRZSA-N 0 3 354.370 2.505 20 5 FFBDHN C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824607255 609145639 /nfs/dbraw/zinc/14/56/39/609145639.db2.gz WOOJIFKZXIKALJ-LLVKDONJSA-N 0 3 356.361 2.807 20 5 FFBDHN C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824607255 609145641 /nfs/dbraw/zinc/14/56/41/609145641.db2.gz WOOJIFKZXIKALJ-LLVKDONJSA-N 0 3 356.361 2.807 20 5 FFBDHN C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824648956 609314298 /nfs/dbraw/zinc/31/42/98/609314298.db2.gz JZBURIHZBFYHHJ-JSGCOSHPSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000824648956 609314299 /nfs/dbraw/zinc/31/42/99/609314299.db2.gz JZBURIHZBFYHHJ-JSGCOSHPSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824648956 609314301 /nfs/dbraw/zinc/31/43/01/609314301.db2.gz JZBURIHZBFYHHJ-JSGCOSHPSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000824648956 609314303 /nfs/dbraw/zinc/31/43/03/609314303.db2.gz JZBURIHZBFYHHJ-JSGCOSHPSA-N 0 3 371.445 2.840 20 5 FFBDHN O=[N+]([O-])c1cc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)nc2[nH]ccc21 ZINC001164732948 720412629 /nfs/dbraw/zinc/41/26/29/720412629.db2.gz OWDBUASTGOEGRH-HZPDHXFCSA-N 0 3 364.409 2.719 20 5 FFBDHN CC(COC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C)[N+](=O)[O-] ZINC000860776708 730546094 /nfs/dbraw/zinc/54/60/94/730546094.db2.gz HGNJZSKLVVEAGU-TZMCWYRMSA-N 0 3 352.387 2.536 20 5 FFBDHN O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)NCCN1CCCCC1 ZINC000864879337 730887956 /nfs/dbraw/zinc/88/79/56/730887956.db2.gz IXRBCIBZMXSOTL-UHFFFAOYSA-N 0 3 370.247 2.502 20 5 FFBDHN Cc1cc(N2CCC(N3CCN(C)CC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000866213904 731041194 /nfs/dbraw/zinc/04/11/94/731041194.db2.gz CASPGBLZWQFRFF-UHFFFAOYSA-N 0 3 352.866 2.773 20 5 FFBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000874839387 732106294 /nfs/dbraw/zinc/10/62/94/732106294.db2.gz VUGGBBUYMZQSCG-ZIAGYGMSSA-N 0 3 368.231 2.666 20 5 FFBDHN C[C@@H](NCc1ccc(Br)cc1[N+](=O)[O-])C(C)(C)n1cncn1 ZINC000883294668 733361535 /nfs/dbraw/zinc/36/15/35/733361535.db2.gz GWNPXYAMOSMCOL-SNVBAGLBSA-N 0 3 368.235 2.862 20 5 FFBDHN COC(=O)[C@H]1CC[C@@H](NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000886651995 733813055 /nfs/dbraw/zinc/81/30/55/733813055.db2.gz WPYIJRXKAQZDBZ-JOYOIKCWSA-N 0 3 357.204 2.789 20 5 FFBDHN COc1c(O)ccc(CNC[C@@H](c2ccsc2)N(C)C)c1[N+](=O)[O-] ZINC000892507807 734567585 /nfs/dbraw/zinc/56/75/85/734567585.db2.gz CGAVTDTVDGPGKO-ZDUSSCGKSA-N 0 3 351.428 2.763 20 5 FFBDHN O=[N+]([O-])c1ccc(Cl)c(CN2CCCN(C[C@@H]3CCCO3)CC2)c1 ZINC000735562389 734950728 /nfs/dbraw/zinc/95/07/28/734950728.db2.gz KAXXXJXZPNQELV-INIZCTEOSA-N 0 3 353.850 2.935 20 5 FFBDHN COc1ccc(F)cc1CC[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000896053212 735094956 /nfs/dbraw/zinc/09/49/56/735094956.db2.gz WRWXATBGHCDKCA-UHFFFAOYSA-N 0 3 350.346 2.789 20 5 FFBDHN O=[N+]([O-])c1c(N2CC[C@@H]3[C@H]2CCCN3CCO)cccc1C(F)(F)F ZINC000897216012 735207105 /nfs/dbraw/zinc/20/71/05/735207105.db2.gz GRBYLLJFFFBNES-CHWSQXEVSA-N 0 3 359.348 2.649 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000901230435 735759080 /nfs/dbraw/zinc/75/90/80/735759080.db2.gz PMBDAKDRSIOKIQ-VXGBXAGGSA-N 0 3 361.826 2.505 20 5 FFBDHN CCOc1ccc([C@H](C)N[C@@H]2CCCN(C(=O)OC)C2)cc1[N+](=O)[O-] ZINC000768100919 737397867 /nfs/dbraw/zinc/39/78/67/737397867.db2.gz GCCFGXFNHAXKBF-GXTWGEPZSA-N 0 3 351.403 2.875 20 5 FFBDHN O=[N+]([O-])c1cccc(Br)c1CN1CCN(CC2CC2)CC1 ZINC000768773000 737456377 /nfs/dbraw/zinc/45/63/77/737456377.db2.gz ORDPVCVGDMLEQO-UHFFFAOYSA-N 0 3 354.248 2.885 20 5 FFBDHN C[C@]1(NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCO[C@@H]1C1CC1 ZINC000784586958 738905565 /nfs/dbraw/zinc/90/55/65/738905565.db2.gz BSQBXMCJWVXGLZ-CVEARBPZSA-N 0 3 353.806 2.734 20 5 FFBDHN CC(COC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1)[N+](=O)[O-] ZINC000813102506 741677039 /nfs/dbraw/zinc/67/70/39/741677039.db2.gz GVTDNHZKOCBMER-SECBINFHSA-N 0 3 358.272 2.998 20 5 FFBDHN CC(COC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)[N+](=O)[O-] ZINC000813108697 741677707 /nfs/dbraw/zinc/67/77/07/741677707.db2.gz KGLDHEXNRGCOHV-BDAKNGLRSA-N 0 3 361.181 2.555 20 5 FFBDHN COc1ccc(Br)cc1C(=O)CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813109492 741677773 /nfs/dbraw/zinc/67/77/73/741677773.db2.gz UNKYYSFEUMGBBT-SECBINFHSA-N 0 3 374.187 2.629 20 5 FFBDHN CCN1CCCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)[C@@H](C)C1 ZINC000822568949 742753407 /nfs/dbraw/zinc/75/34/07/742753407.db2.gz KPVZKCRJEUULDX-VIFPVBQESA-N 0 3 358.801 2.526 20 5 FFBDHN COC(=O)C[C@@H](NCc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000822841273 742791259 /nfs/dbraw/zinc/79/12/59/742791259.db2.gz IMTZUZYJPPJMKF-GFCCVEGCSA-N 0 3 357.204 2.789 20 5 FFBDHN COc1ccc(CN[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000824644950 743121626 /nfs/dbraw/zinc/12/16/26/743121626.db2.gz VEKTXCPZZDLVJQ-RYUDHWBXSA-N 0 3 353.419 2.995 20 5 FFBDHN CCCN(C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCN(C)C1 ZINC000826677504 743421394 /nfs/dbraw/zinc/42/13/94/743421394.db2.gz MSDACGXUEPYNQS-CQSZACIVSA-N 0 3 354.838 2.874 20 5 FFBDHN C[C@@H]1CN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCN(C2CC2)C1 ZINC000838514886 746655911 /nfs/dbraw/zinc/65/59/11/746655911.db2.gz WPYLBPIJMXLKRS-LBPRGKRZSA-N 0 3 366.849 2.874 20 5 FFBDHN CO[C@@](C)([C@H](C)NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000839638103 746878003 /nfs/dbraw/zinc/87/80/03/746878003.db2.gz HPJZPADSXFCIPF-QFYYESIMSA-N 0 3 355.822 2.980 20 5 FFBDHN NC(=O)[C@@]1(c2ccccc2)CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000839643758 746880731 /nfs/dbraw/zinc/88/07/31/746880731.db2.gz SNLLGAPDVZUPGM-SFHVURJKSA-N 0 3 359.813 2.877 20 5 FFBDHN CO[C@@H]([C@H](C)N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000840779440 747181183 /nfs/dbraw/zinc/18/11/83/747181183.db2.gz BVNDJOUYEBFDOI-WMFXKJRFSA-N 0 3 355.822 2.978 20 5 FFBDHN CC(C)CCC(=O)NCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845874037 748341672 /nfs/dbraw/zinc/34/16/72/748341672.db2.gz HBBBIAUGMABCPZ-SJCJKPOMSA-N 0 3 354.378 2.628 20 5 FFBDHN CCC(C)(C)N1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000847039756 748603593 /nfs/dbraw/zinc/60/35/93/748603593.db2.gz IDIQXPIMOATHAV-UHFFFAOYSA-N 0 3 368.865 2.993 20 5 FFBDHN COCCN1CCC(OC(=O)c2cccc(SC)c2[N+](=O)[O-])CC1 ZINC000847885145 748803848 /nfs/dbraw/zinc/80/38/48/748803848.db2.gz IXNNCFOKBHTIMY-UHFFFAOYSA-N 0 3 354.428 2.584 20 5 FFBDHN CC(C)(C)N1CC[C@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000852199019 749800195 /nfs/dbraw/zinc/80/01/95/749800195.db2.gz FFSXUWKUWOFWDI-ZDUSSCGKSA-N 0 3 354.838 2.920 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c1F ZINC000855054888 750419022 /nfs/dbraw/zinc/41/90/22/750419022.db2.gz AOYPOZQOFDDIPU-NEPJUHHUSA-N 0 3 353.369 2.928 20 5 FFBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(C2CCCC2)[C@@H](C)C1 ZINC001176155003 1013647255 /nfs/dbraw/zinc/64/72/55/1013647255.db2.gz TVZBNJJDKFURJY-LSDHHAIUSA-N 0 3 360.458 2.871 20 5 FFBDHN CN(C)CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000065746180 968531249 /nfs/dbraw/zinc/53/12/49/968531249.db2.gz YVTGCUWYJXXEOB-UHFFFAOYSA-N 0 3 364.402 2.840 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC[C@H]([C@H](O)c2nccn2C)C1 ZINC000876809106 1014400849 /nfs/dbraw/zinc/40/08/49/1014400849.db2.gz CQMKDISFWGMRKT-YJBOKZPZSA-N 0 3 358.442 2.891 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(Cc2noc(C34CCCN(CCC3)C4)n2)c1 ZINC000904054779 980171303 /nfs/dbraw/zinc/17/13/03/980171303.db2.gz KLBBLDOTHJCQDP-UHFFFAOYSA-N 0 3 358.398 2.705 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC001211936834 981215952 /nfs/dbraw/zinc/21/59/52/981215952.db2.gz JWRFBVOLKYYCOQ-HNNXBMFYSA-N 0 3 369.487 2.692 20 5 FFBDHN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H](C)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000067593516 981267526 /nfs/dbraw/zinc/26/75/26/981267526.db2.gz RGAJVBNDUHAMDI-GFCCVEGCSA-N 0 3 364.402 2.662 20 5 FFBDHN C[C@@H](CNc1ccc([N+](=O)[O-])c2nonc21)N1CCc2ccccc2C1 ZINC000914863019 988000585 /nfs/dbraw/zinc/00/05/85/988000585.db2.gz CZQDDSSYNLAHGA-LBPRGKRZSA-N 0 3 353.382 2.990 20 5 FFBDHN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCCN2CCCC2)CC1 ZINC000193667287 988799279 /nfs/dbraw/zinc/79/92/79/988799279.db2.gz CPNQEIZPZPRKAB-UHFFFAOYSA-N 0 3 360.458 2.657 20 5 FFBDHN COc1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000193942614 989109509 /nfs/dbraw/zinc/10/95/09/989109509.db2.gz MQPMCUBELRWLDW-UHFFFAOYSA-N 0 3 369.421 2.998 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N(CCc1ccccc1)CCN(C)C ZINC000916384085 989783678 /nfs/dbraw/zinc/78/36/78/989783678.db2.gz NARQKTRQYIJLHM-UHFFFAOYSA-N 0 3 371.437 2.850 20 5 FFBDHN CC(C)(C)CCN1CCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000172897115 989823340 /nfs/dbraw/zinc/82/33/40/989823340.db2.gz TYQNMRUIIUJVRU-UHFFFAOYSA-N 0 3 372.473 2.865 20 5 FFBDHN COc1cccc([C@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CCN2)c1 ZINC000879524837 1015574961 /nfs/dbraw/zinc/57/49/61/1015574961.db2.gz QFNMMOFMTKWDPR-GOSISDBHSA-N 0 3 367.409 2.626 20 5 FFBDHN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000711061130 990665180 /nfs/dbraw/zinc/66/51/80/990665180.db2.gz RJMUJDYOGZEVDA-CZUORRHYSA-N 0 3 365.430 2.709 20 5 FFBDHN CC([C@@H](OC(=O)c1cc(OC(F)F)n(C)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845872884 998676980 /nfs/dbraw/zinc/67/69/80/998676980.db2.gz AMAOSASMUBCVKG-ISVAXAHUSA-N 0 3 373.287 2.724 20 5 FFBDHN O=C(c1ccccc1)N1CCC[C@H](Nc2cc3c(cc2[N+](=O)[O-])CNC3)C1 ZINC001168900910 1000005275 /nfs/dbraw/zinc/00/52/75/1000005275.db2.gz YSJVDUMXAVAAMK-KRWDZBQOSA-N 0 3 366.421 2.915 20 5 FFBDHN CCN1CCN(Cc2ccccc2CNc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000804351363 1000109939 /nfs/dbraw/zinc/10/99/39/1000109939.db2.gz XFIJGZHETQETAH-UHFFFAOYSA-N 0 3 369.469 2.927 20 5 FFBDHN Cn1cc([C@H](O)C[C@H]2CCCN2C/C=C\c2ccccc2[N+](=O)[O-])cn1 ZINC000770388040 1000784356 /nfs/dbraw/zinc/78/43/56/1000784356.db2.gz ULOBHHVIHUHGCP-DSABOLQXSA-N 0 3 356.426 2.930 20 5 FFBDHN Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)N(C)C)cc1 ZINC000791339040 1002657915 /nfs/dbraw/zinc/65/79/15/1002657915.db2.gz HAZLVRLFLUFMTF-KRWDZBQOSA-N 0 3 360.389 2.657 20 5 FFBDHN COc1ccc(C[C@@H](C)NCc2ccc(OC)c(OC)n2)c([N+](=O)[O-])c1 ZINC001170322922 1003112225 /nfs/dbraw/zinc/11/22/25/1003112225.db2.gz IQBZNACVKPJDOW-GFCCVEGCSA-N 0 3 361.398 2.736 20 5 FFBDHN COc1ccc(C[C@H](C)N2CC[C@H](Oc3ncc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC001170355636 1003122905 /nfs/dbraw/zinc/12/29/05/1003122905.db2.gz NGOOEWSNYDSDCH-YOEHRIQHSA-N 0 3 372.425 2.786 20 5 FFBDHN COc1ccc(C[C@@H](C)N2CCC(N3CC(F)C3)CC2)c([N+](=O)[O-])c1 ZINC001170348732 1003133979 /nfs/dbraw/zinc/13/39/79/1003133979.db2.gz ZZBKAUZVODGTAD-CYBMUJFWSA-N 0 3 351.422 2.653 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)n1 ZINC001130613518 1004304199 /nfs/dbraw/zinc/30/41/99/1004304199.db2.gz DEJTUBGRKUMOKS-LJQANCHMSA-N 0 3 354.410 2.693 20 5 FFBDHN Cc1ccc([C@H](CNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)N(C)C)cc1 ZINC000104149082 1004436393 /nfs/dbraw/zinc/43/63/93/1004436393.db2.gz OASLMMVGLPHHMT-KRWDZBQOSA-N 0 3 356.426 2.827 20 5 FFBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@H](c3nnc4ccccn43)C2)cc1 ZINC000776584278 1005954781 /nfs/dbraw/zinc/95/47/81/1005954781.db2.gz KAZOSAJAJKXDFE-DOTOQJQBSA-N 0 3 367.409 2.551 20 5 FFBDHN CC(C)(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)NCC1CCCCC1 ZINC000776597385 1006041662 /nfs/dbraw/zinc/04/16/62/1006041662.db2.gz KNJNNDGVOOKNKD-KRWDZBQOSA-N 0 3 363.458 2.693 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(Cc2noc(C[C@H]3NCc4ccccc43)n2)c1 ZINC000854153403 1006709150 /nfs/dbraw/zinc/70/91/50/1006709150.db2.gz LAWKXOWVASUAJP-MRXNPFEDSA-N 0 3 366.377 2.964 20 5 FFBDHN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H]3CN(C)C[C@@H]32)CC1 ZINC000816952853 1007274163 /nfs/dbraw/zinc/27/41/63/1007274163.db2.gz SVZIEHXBSJQYPX-KXBFYZLASA-N 0 3 372.469 2.607 20 5 FFBDHN C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000817288913 1007509613 /nfs/dbraw/zinc/50/96/13/1007509613.db2.gz OWMMJTVIQKUWMJ-UKPHBRMFSA-N 0 3 364.442 2.928 20 5 FFBDHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000856412863 1007813049 /nfs/dbraw/zinc/81/30/49/1007813049.db2.gz YUKYNUSVQRBPOO-VOCYLRNQSA-N 0 3 373.453 2.710 20 5 FFBDHN CSc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)N(C)C)cc1 ZINC000819335649 1008101576 /nfs/dbraw/zinc/10/15/76/1008101576.db2.gz NQOUCDLQHMJMGM-QGZVFWFLSA-N 0 3 374.466 2.932 20 5 FFBDHN Nc1ccc(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000819640185 1008202511 /nfs/dbraw/zinc/20/25/11/1008202511.db2.gz PZUKTOGBOUGKQB-QFBILLFUSA-N 0 3 366.421 2.524 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1COCCN1C(=O)OC(C)(C)C ZINC000858280336 1008338712 /nfs/dbraw/zinc/33/87/12/1008338712.db2.gz PGBGYZGVMRATCE-INIZCTEOSA-N 0 3 365.430 2.629 20 5 FFBDHN Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@H]2CCN2C2CCCC2)c1[N+](=O)[O-] ZINC000858780248 1008422595 /nfs/dbraw/zinc/42/25/95/1008422595.db2.gz LMRKATUNWBRKIJ-AWEZNQCLSA-N 0 3 364.402 2.733 20 5 FFBDHN CN1CC[C@@H](NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000823956539 1009278117 /nfs/dbraw/zinc/27/81/17/1009278117.db2.gz SKSUWUJSSLDTLM-WBVHZDCISA-N 0 3 355.398 2.744 20 5 FFBDHN CC(C)[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000794614664 1010441756 /nfs/dbraw/zinc/44/17/56/1010441756.db2.gz SNRCLBBOFWJNEZ-RTBURBONSA-N 0 3 357.410 2.881 20 5 FFBDHN C[NH+]1CCC2(CC1)CN(c1cc[n-]c(=O)c1[N+](=O)[O-])Cc1ccccc12 ZINC000866016551 1010907641 /nfs/dbraw/zinc/90/76/41/1010907641.db2.gz OUVRUGQUJDXSGP-UHFFFAOYSA-N 0 3 354.410 2.679 20 5 FFBDHN C[C@@H](NCc1ccc(CN2CCNC2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000866573009 1011017838 /nfs/dbraw/zinc/01/78/38/1011017838.db2.gz FGIPDHPMDQOEPV-CQSZACIVSA-N 0 3 354.410 2.971 20 5 FFBDHN COc1ccnc(O[C@@H]2CCCN([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001173237404 1012383037 /nfs/dbraw/zinc/38/30/37/1012383037.db2.gz JCIWXWOGPJNBGO-WMLDXEAASA-N 0 3 372.425 2.868 20 5 FFBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)N(C)Cc1ccccc1 ZINC000801891454 1019490211 /nfs/dbraw/zinc/49/02/11/1019490211.db2.gz LWROOOPGGHQZFR-GFCCVEGCSA-N 0 3 360.389 2.566 20 5 FFBDHN C[C@@H]1CCC[C@@H](N(C)CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000726586215 1020489080 /nfs/dbraw/zinc/48/90/80/1020489080.db2.gz IPFBARIZDAXWIR-ZIAGYGMSSA-N 0 3 360.414 2.831 20 5 FFBDHN CN(C)CCN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000932210813 1020743932 /nfs/dbraw/zinc/74/39/32/1020743932.db2.gz LWLCUPYOLOMSQH-MOPGFXCFSA-N 0 3 368.437 2.684 20 5 FFBDHN CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000016599281 1022280739 /nfs/dbraw/zinc/28/07/39/1022280739.db2.gz CADTVIMAYZHGPP-MRXNPFEDSA-N 0 3 358.354 2.536 20 5 FFBDHN O=C1[C@H](NCCc2ccc([N+](=O)[O-])cc2)CCN1c1c(F)cccc1F ZINC000755984810 1023656457 /nfs/dbraw/zinc/65/64/57/1023656457.db2.gz KVJUAUPJTFERRW-MRXNPFEDSA-N 0 3 361.348 2.811 20 5 FFBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000191663476 1023889855 /nfs/dbraw/zinc/88/98/55/1023889855.db2.gz NUKGEZFAKAHBBW-MRXNPFEDSA-N 0 3 354.410 2.571 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000758333648 1024052007 /nfs/dbraw/zinc/05/20/07/1024052007.db2.gz IBKWGNVHDYLNJH-RDTXWAMCSA-N 0 3 372.469 2.798 20 5 FFBDHN COc1ccc(CC(=O)OCCN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000837500084 1025852138 /nfs/dbraw/zinc/85/21/38/1025852138.db2.gz OILNTPWJRYDXRQ-UHFFFAOYSA-N 0 3 358.394 2.821 20 5 FFBDHN COC(=O)c1cnc(-n2c(-c3ccccc3)cnc2[C@H](C)N)c([N+](=O)[O-])c1 ZINC001159592544 1027438940 /nfs/dbraw/zinc/43/89/40/1027438940.db2.gz YBQAXUXFFLEXNG-NSHDSACASA-N 0 3 367.365 2.649 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2C)C[C@@H]1N1CCCC1 ZINC001153677319 1027956186 /nfs/dbraw/zinc/95/61/86/1027956186.db2.gz YXFBYMLICMKMMV-JKSUJKDBSA-N 0 3 367.446 2.694 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(OC(C)C)cc1NCCCN1CCN(C)CC1 ZINC001161711464 1028292471 /nfs/dbraw/zinc/29/24/71/1028292471.db2.gz NJCSPKKMSORGRY-UHFFFAOYSA-N 0 3 350.463 2.740 20 5 FFBDHN CCOc1nc(-n2cncc2CNCc2ccccc2)ccc1[N+](=O)[O-] ZINC001156496614 1029217382 /nfs/dbraw/zinc/21/73/82/1029217382.db2.gz PABIVJBWQSUHJA-UHFFFAOYSA-N 0 3 353.382 2.864 20 5 FFBDHN CN(CCN1CCCC1)c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-] ZINC001165141901 1029418674 /nfs/dbraw/zinc/41/86/74/1029418674.db2.gz QLWWWQCAFOTVIQ-UHFFFAOYSA-N 0 3 353.732 2.589 20 5 FFBDHN C[C@@H](N[C@@H](COC(N)=O)Cc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840863477 1029896786 /nfs/dbraw/zinc/89/67/86/1029896786.db2.gz JJYASAIMZDCOIL-IUODEOHRSA-N 0 3 358.398 2.948 20 5 FFBDHN Cc1ccc(N(C)[C@@H]2CCCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)cc1 ZINC000784375010 1030594005 /nfs/dbraw/zinc/59/40/05/1030594005.db2.gz PHXWMUGDEHNUKG-GOSISDBHSA-N 0 3 370.453 2.666 20 5 FFBDHN C[C@@H]1CC2(CN1Cn1cnc(-c3ccc([N+](=O)[O-])cc3)n1)CCOCC2 ZINC000842640073 1030870910 /nfs/dbraw/zinc/87/09/10/1030870910.db2.gz ULDRCBYASZDQKW-CQSZACIVSA-N 0 3 357.414 2.702 20 5 FFBDHN Cc1nnc(CNC(=O)[C@@H](N)Cc2c3ccccc3cc3ccccc32)[nH]1 ZINC001221410321 1034721543 /nfs/dbraw/zinc/72/15/43/1034721543.db2.gz XTKOHUSWBJJBMF-IBGZPJMESA-N 0 3 359.433 2.606 20 5 FFBDHN COc1cc(O[C@H](C)CN(C)C)c2c(c1)oc1c(O)ccc(O)c1c2=O ZINC001227645823 1035653416 /nfs/dbraw/zinc/65/34/16/1035653416.db2.gz JTFHTPWTHHPSOJ-SNVBAGLBSA-N 0 3 359.378 2.695 20 5 FFBDHN O=c1oc2ccccc2c(O[C@H]2CC[C@H](N3CCOCC3)CC2)c1[N+](=O)[O-] ZINC001228806649 1036334475 /nfs/dbraw/zinc/33/44/75/1036334475.db2.gz PHYSGISVFRDYCE-HDJSIYSDSA-N 0 3 374.393 2.723 20 5 FFBDHN CO[C@@H]1CC[N@H+](CCOc2ccc3c(c2)oc2cc([O-])ccc2c3=O)C1 ZINC001229515614 1036715061 /nfs/dbraw/zinc/71/50/61/1036715061.db2.gz XLMYJKYFRFMTCV-OAHLLOKOSA-N 0 3 355.390 2.751 20 5 FFBDHN CO[C@@H]1CC[N@@H+](CCOc2ccc3c(c2)oc2cc([O-])ccc2c3=O)C1 ZINC001229515614 1036715081 /nfs/dbraw/zinc/71/50/81/1036715081.db2.gz XLMYJKYFRFMTCV-OAHLLOKOSA-N 0 3 355.390 2.751 20 5 FFBDHN C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc([O-])cc(/C=C/c2ccccc2)c1 ZINC001229668775 1036816394 /nfs/dbraw/zinc/81/63/94/1036816394.db2.gz BFSQWTKUCQPEKK-JBVUFVISSA-O 0 3 356.442 2.925 20 5 FFBDHN CN1CCc2c(cccc2O[C@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)C1 ZINC001234425773 1037032638 /nfs/dbraw/zinc/03/26/38/1037032638.db2.gz YIYLDLLXMQPNAP-LJQANCHMSA-N 0 3 356.378 2.800 20 5 FFBDHN COc1c(O[C@H]2CCCN(C)C2)c2nccc3c4ccccc4n(c32)c1=O ZINC001234719063 1037154899 /nfs/dbraw/zinc/15/48/99/1037154899.db2.gz XRQSJYNZSMKDGZ-ZDUSSCGKSA-N 0 3 363.417 2.920 20 5 FFBDHN COc1cc(N2CCC(N3CCCC(=O)[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093974 1038380574 /nfs/dbraw/zinc/38/05/74/1038380574.db2.gz UEIKUNXIUWLNMU-CQSZACIVSA-N 0 3 361.442 2.873 20 5 FFBDHN COc1cc(N2CCC(N3CCOC[C@H]3C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001256100606 1038383559 /nfs/dbraw/zinc/38/35/59/1038383559.db2.gz LPQXBMMXJQQQQH-SFHVURJKSA-N 0 3 363.458 2.929 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCNC[C@@H]2C(F)(F)F)c1F ZINC001246993450 1039566831 /nfs/dbraw/zinc/56/68/31/1039566831.db2.gz TWKCBTMPBISCID-NOZJJQNGSA-N 0 3 365.327 2.510 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCNC[C@H]2C(F)(F)F)c1F ZINC001246993452 1039567643 /nfs/dbraw/zinc/56/76/43/1039567643.db2.gz TWKCBTMPBISCID-RNCFNFMXSA-N 0 3 365.327 2.510 20 5 FFBDHN CCC1=NC2(CCN([C@H](C)Cc3ccccc3[N+](=O)[O-])CC2)C(=O)N1C ZINC001254570871 1040807141 /nfs/dbraw/zinc/80/71/41/1040807141.db2.gz QGIMRUHSXUIFIC-CQSZACIVSA-N 0 3 358.442 2.641 20 5 FFBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCC(C)(C)C1 ZINC001289680311 1047717812 /nfs/dbraw/zinc/71/78/12/1047717812.db2.gz ZXJCGXQOMXREOW-CYBMUJFWSA-N 0 3 351.472 2.924 20 5 FFBDHN Cc1ccc(S(=O)(=O)N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC001309282174 1052590801 /nfs/dbraw/zinc/59/08/01/1052590801.db2.gz GNOFPCSTKQAUKZ-KCQAQPDRSA-N 0 3 369.487 2.548 20 5 FFBDHN O=[N+]([O-])c1ccc([C@H](O)CNCc2ccc3c(c2)OC(F)(F)O3)cc1 ZINC001335313992 1053290852 /nfs/dbraw/zinc/29/08/52/1053290852.db2.gz JXNGFAPLNYPPJQ-CYBMUJFWSA-N 0 3 352.293 2.740 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](O)CNC[C@](O)(c2ccccc2)C(F)(F)F)c1 ZINC001335367778 1053320708 /nfs/dbraw/zinc/32/07/08/1053320708.db2.gz VQSHJGBOQSDFKX-CVEARBPZSA-N 0 3 370.327 2.668 20 5 FFBDHN CN(C)c1cc(F)c(C(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000847254992 1055322978 /nfs/dbraw/zinc/32/29/78/1055322978.db2.gz IGNYBJMAUCTYED-LSDHHAIUSA-N 0 3 364.421 2.547 20 5 FFBDHN C[C@@H](COC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCCCC1 ZINC000847964017 1058535293 /nfs/dbraw/zinc/53/52/93/1058535293.db2.gz VVDUPVQWYOAJBQ-AWEZNQCLSA-N 0 3 358.398 2.812 20 5 FFBDHN C[C@H](c1nnc(N2C[C@@H](C)N(Cc3ccccc3)[C@@H](C)[C@H]2C)n1C)[N+](=O)[O-] ZINC001519598450 1058866810 /nfs/dbraw/zinc/86/68/10/1058866810.db2.gz VZGUHLDTHGVPGK-QKPAOTATSA-N 0 3 372.473 2.641 20 5 FFBDHN C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])cc2N)CCN(Cc2ccccc2)C1 ZINC001452735228 1059289644 /nfs/dbraw/zinc/28/96/44/1059289644.db2.gz GBWUNBXUVDVSMJ-LJQANCHMSA-N 0 3 354.410 2.571 20 5 FFBDHN COC(=O)C[C@](C)(NCCCOc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC001460991627 1061181157 /nfs/dbraw/zinc/18/11/57/1061181157.db2.gz LKZKWBFHSXAVNU-IBGZPJMESA-N 0 3 373.409 2.827 20 5 FFBDHN COc1c(O)ccc(CNC[C@](C)(O)c2ccccc2Cl)c1[N+](=O)[O-] ZINC001462045580 1061486680 /nfs/dbraw/zinc/48/66/80/1061486680.db2.gz BGVGEQFZHHZNCO-KRWDZBQOSA-N 0 3 366.801 2.960 20 5 FFBDHN C[C@@](CO)(NCCCOc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC001473714552 1065330238 /nfs/dbraw/zinc/33/02/38/1065330238.db2.gz UMBNZWNFXLIPFH-IBGZPJMESA-N 0 3 374.393 2.590 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001582804627 1079109719 /nfs/dbraw/zinc/10/97/19/1079109719.db2.gz WYYSJRMGFWMLDO-CQSZACIVSA-N 0 3 357.418 2.594 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC001582804627 1079109726 /nfs/dbraw/zinc/10/97/26/1079109726.db2.gz WYYSJRMGFWMLDO-CQSZACIVSA-N 0 3 357.418 2.594 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001582804627 1079109736 /nfs/dbraw/zinc/10/97/36/1079109736.db2.gz WYYSJRMGFWMLDO-CQSZACIVSA-N 0 3 357.418 2.594 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC001582804627 1079109742 /nfs/dbraw/zinc/10/97/42/1079109742.db2.gz WYYSJRMGFWMLDO-CQSZACIVSA-N 0 3 357.418 2.594 20 5 FFBDHN Nc1c(Cl)cc(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC001583145776 1079170485 /nfs/dbraw/zinc/17/04/85/1079170485.db2.gz UCQJEYMCEKGFPA-CHWSQXEVSA-N 0 3 352.822 2.577 20 5 FFBDHN CC1CCN(c2ccc(C(=O)N3C[C@H]4CCN(C)[C@H]4C3)cc2[N+](=O)[O-])CC1 ZINC001583279300 1079187477 /nfs/dbraw/zinc/18/74/77/1079187477.db2.gz VULFUYPQDLPDSL-APWZRJJASA-N 0 3 372.469 2.607 20 5 FFBDHN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CC(N[C@@H]2CCOC2)C1 ZINC001559290654 1076146753 /nfs/dbraw/zinc/14/67/53/1076146753.db2.gz XFDHFHYASPWCOI-MRVPVSSYSA-N 0 3 365.739 2.834 20 5 FFBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 ZINC001561350438 1076366746 /nfs/dbraw/zinc/36/67/46/1076366746.db2.gz KNHKNPNTDANAFQ-MELADBBJSA-N 0 3 369.487 2.548 20 5 FFBDHN C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590189138 1081079690 /nfs/dbraw/zinc/07/96/90/1081079690.db2.gz VJWSVSVQACSCJU-ZIAGYGMSSA-N 0 3 373.461 2.945 20 5 FFBDHN C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590189138 1081079698 /nfs/dbraw/zinc/07/96/98/1081079698.db2.gz VJWSVSVQACSCJU-ZIAGYGMSSA-N 0 3 373.461 2.945 20 5 FFBDHN CCN1CCC(n2nccc2NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000073459392 249804647 /nfs/dbraw/zinc/80/46/47/249804647.db2.gz XWOLFUMNKHQSEV-UHFFFAOYSA-N 0 3 357.414 2.629 20 5 FFBDHN O=C(NCc1ccccc1[N+](=O)[O-])NCC1CCN(c2ccncc2)CC1 ZINC000093120200 250015506 /nfs/dbraw/zinc/01/55/06/250015506.db2.gz LSGJPIZPOIMMHV-UHFFFAOYSA-N 0 3 369.425 2.706 20 5 FFBDHN Cc1c(CC(=O)NCC2CCN(c3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000093064191 250016247 /nfs/dbraw/zinc/01/62/47/250016247.db2.gz JPAGIXPJGVXMPC-UHFFFAOYSA-N 0 3 368.437 2.874 20 5 FFBDHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1Cl ZINC000097454446 250064814 /nfs/dbraw/zinc/06/48/14/250064814.db2.gz ZZLXRRCHYIRZMB-BXKDBHETSA-N 0 3 359.213 2.810 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N(C)C2CC2)cc1SC ZINC000103085386 250134460 /nfs/dbraw/zinc/13/44/60/250134460.db2.gz PGNDCULKVSIOLX-SNVBAGLBSA-N 0 3 353.444 2.538 20 5 FFBDHN Cn1cc(CNC[C@H](O)Cc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105492997 250213723 /nfs/dbraw/zinc/21/37/23/250213723.db2.gz RLECJHFNVWSJOL-LJQANCHMSA-N 0 3 366.421 2.689 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000175556315 251227140 /nfs/dbraw/zinc/22/71/40/251227140.db2.gz WYDHUIPIJYNPOV-UHFFFAOYSA-N 0 3 364.446 2.914 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000181188299 251256151 /nfs/dbraw/zinc/25/61/51/251256151.db2.gz QOTVUNXNUTWXRY-ZFWWWQNUSA-N 0 3 354.410 2.570 20 5 FFBDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000269997239 251442839 /nfs/dbraw/zinc/44/28/39/251442839.db2.gz WUDULKAMAJVHPB-WRFANHODSA-N 0 3 359.426 2.859 20 5 FFBDHN COc1cc(CNC[C@@H]2CCCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272369623 252022311 /nfs/dbraw/zinc/02/23/11/252022311.db2.gz GJXOZRHRJGQERN-NSHDSACASA-N 0 3 360.357 2.764 20 5 FFBDHN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1=CCN(C)CC1 ZINC000272621514 252083252 /nfs/dbraw/zinc/08/32/52/252083252.db2.gz ACMABCURDTYAEJ-SNVBAGLBSA-N 0 3 357.332 2.994 20 5 FFBDHN CN(C(=O)Nc1ccncc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272785071 252130802 /nfs/dbraw/zinc/13/08/02/252130802.db2.gz ZZVTXSVLBIUKLI-OAHLLOKOSA-N 0 3 355.398 2.728 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000273531255 252324796 /nfs/dbraw/zinc/32/47/96/252324796.db2.gz QXMHGOKFRJYJTA-CYBMUJFWSA-N 0 3 369.487 2.508 20 5 FFBDHN C[C@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)CN1CCCCC1 ZINC000276209770 256080945 /nfs/dbraw/zinc/08/09/45/256080945.db2.gz KBDMYGYKRLEJKK-CYBMUJFWSA-N 0 3 355.460 2.532 20 5 FFBDHN C[C@H](CO)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000276448919 256101008 /nfs/dbraw/zinc/10/10/08/256101008.db2.gz MQBRTDSLCIJDFQ-LLVKDONJSA-N 0 3 355.822 2.812 20 5 FFBDHN CN1CCN(CC2CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)CC1 ZINC000276572362 256111066 /nfs/dbraw/zinc/11/10/66/256111066.db2.gz HNARYCPUMBDVPI-UHFFFAOYSA-N 0 3 369.469 2.607 20 5 FFBDHN CCN1CCN(C[C@H](C)CNc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000277212462 256172532 /nfs/dbraw/zinc/17/25/32/256172532.db2.gz ZBCWQFYUVKKAPD-OAHLLOKOSA-N 0 3 357.458 2.829 20 5 FFBDHN CCOc1cc(CN2CCN(C3CCOCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278608612 256330915 /nfs/dbraw/zinc/33/09/15/256330915.db2.gz JAYITBBRXIRQJE-HNNXBMFYSA-N 0 3 363.458 2.679 20 5 FFBDHN CCS[C@H]1CCC[C@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000286030634 257017081 /nfs/dbraw/zinc/01/70/81/257017081.db2.gz HWHDMHGNJTXDCE-BMIGLBTASA-N 0 3 367.427 2.526 20 5 FFBDHN CN(C)CCOc1cc(CNc2ncnc3sc([N+](=O)[O-])cc32)ccn1 ZINC000286102128 257020391 /nfs/dbraw/zinc/02/03/91/257020391.db2.gz DBAWQDGREZQONB-UHFFFAOYSA-N 0 3 374.426 2.547 20 5 FFBDHN COc1ccc(C[C@H](CO)CNCc2ccc([N+](=O)[O-])cc2C)cc1O ZINC000289456699 257282296 /nfs/dbraw/zinc/28/22/96/257282296.db2.gz NWMPPPZQYBZGCY-HNNXBMFYSA-N 0 3 360.410 2.558 20 5 FFBDHN Cc1ccc([C@@H](C)NC[C@@](C)(O)CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000289661477 257292683 /nfs/dbraw/zinc/29/26/83/257292683.db2.gz XYNLPGFVSHXGSL-FZKQIMNGSA-N 0 3 367.446 2.830 20 5 FFBDHN C[C@@H]1C[C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000290829207 257360023 /nfs/dbraw/zinc/36/00/23/257360023.db2.gz UIQJRQGIXLMTJB-HIFRSBDPSA-N 0 3 369.425 2.554 20 5 FFBDHN CC(C)[C@H](CN(C)Cc1ccccc1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290973181 257369635 /nfs/dbraw/zinc/36/96/35/257369635.db2.gz QGSMGZCDHJRXQT-INIZCTEOSA-N 0 3 371.441 2.657 20 5 FFBDHN CS[C@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1N1CCCC1 ZINC000295018214 257612385 /nfs/dbraw/zinc/61/23/85/257612385.db2.gz UNALQMSNDLOELQ-CABCVRRESA-N 0 3 369.874 2.900 20 5 FFBDHN CC(C)(CCC(=O)Nc1cccc(CN2CCC(CO)CC2)c1)[N+](=O)[O-] ZINC000295019341 257612647 /nfs/dbraw/zinc/61/26/47/257612647.db2.gz RKAZLGXROGKJBM-UHFFFAOYSA-N 0 3 363.458 2.665 20 5 FFBDHN CN1CCC[C@]2(CCN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000295596108 257638856 /nfs/dbraw/zinc/63/88/56/257638856.db2.gz MQQRKZDHJZIJCL-IBGZPJMESA-N 0 3 359.426 2.502 20 5 FFBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](C)N1CCc2ccccc2C1 ZINC000301107926 258026136 /nfs/dbraw/zinc/02/61/36/258026136.db2.gz MWCXGJRYGIEQBZ-AWEZNQCLSA-N 0 3 368.437 2.813 20 5 FFBDHN Cc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)N2CCCC2)cc1 ZINC000301115851 258026959 /nfs/dbraw/zinc/02/69/59/258026959.db2.gz OJADWCGWUYIIFF-QGZVFWFLSA-N 0 3 369.425 2.646 20 5 FFBDHN COC[C@@H](C)CNCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000299659380 258014727 /nfs/dbraw/zinc/01/47/27/258014727.db2.gz VHIAEUZLMBUFJV-JTQLQIEISA-N 0 3 366.336 2.917 20 5 FFBDHN C[C@@H]1CN(CC2CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)CC2)C[C@H](C)O1 ZINC000302456809 258102683 /nfs/dbraw/zinc/10/26/83/258102683.db2.gz QPCGGAJEBXSBMK-GASCZTMLSA-N 0 3 374.485 2.888 20 5 FFBDHN C[C@@H]1C[C@H](C)CN(CCCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000302675418 258107661 /nfs/dbraw/zinc/10/76/61/258107661.db2.gz UDKKXVDKVIBOLG-OKILXGFUSA-N 0 3 369.487 2.778 20 5 FFBDHN C[C@@H]1C[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)CN1Cc1ccccc1 ZINC000301975102 258079277 /nfs/dbraw/zinc/07/92/77/258079277.db2.gz VRNZXIZBMRZTPX-HIFRSBDPSA-N 0 3 352.398 2.712 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H]2CCCCN2C[C@H]1C ZINC000331980686 258208772 /nfs/dbraw/zinc/20/87/72/258208772.db2.gz FHXJGHDTRNFKDV-WBVHZDCISA-N 0 3 360.458 2.790 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H]2CCCCN2C[C@H]1C ZINC000331980679 258208787 /nfs/dbraw/zinc/20/87/87/258208787.db2.gz FHXJGHDTRNFKDV-NVXWUHKLSA-N 0 3 360.458 2.790 20 5 FFBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000332295282 258223768 /nfs/dbraw/zinc/22/37/68/258223768.db2.gz LYSFUHOOKXORCL-STQMWFEESA-N 0 3 369.368 2.753 20 5 FFBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000332631814 258238298 /nfs/dbraw/zinc/23/82/98/258238298.db2.gz RHBCLUWKTMOLPT-KRWDZBQOSA-N 0 3 362.474 2.899 20 5 FFBDHN CCCCCNC(=O)C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065534440 506319018 /nfs/dbraw/zinc/31/90/18/506319018.db2.gz SIYIPRIGSULBGI-UHFFFAOYSA-N 0 3 363.458 2.992 20 5 FFBDHN COc1cc2c(cc1OC)CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000366744046 512167922 /nfs/dbraw/zinc/16/79/22/512167922.db2.gz OIOXOQMIRVYMDJ-GOSISDBHSA-N 0 3 372.421 2.746 20 5 FFBDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000409951891 512173797 /nfs/dbraw/zinc/17/37/97/512173797.db2.gz WUNALBHUJZYHMC-MRXNPFEDSA-N 0 3 366.421 2.979 20 5 FFBDHN Cc1noc([C@H]2CCCN(CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000054676247 506601522 /nfs/dbraw/zinc/60/15/22/506601522.db2.gz LJHWIHFIAKILAH-AWEZNQCLSA-N 0 3 373.413 2.803 20 5 FFBDHN CN(C)CCOc1ccc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000057005430 507144120 /nfs/dbraw/zinc/14/41/20/507144120.db2.gz UWYQWPGRGKBDDD-UHFFFAOYSA-N 0 3 372.425 2.535 20 5 FFBDHN COc1ccc([C@H](C)NC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1F ZINC000024102451 507392920 /nfs/dbraw/zinc/39/29/20/507392920.db2.gz ZCPMAWFGMNPGIO-WFASDCNBSA-N 0 3 364.373 2.833 20 5 FFBDHN CCCCN1CCCC[C@@H]1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000060330693 507523909 /nfs/dbraw/zinc/52/39/09/507523909.db2.gz UVLPOCFGPHJDFM-QGZVFWFLSA-N 0 3 369.487 2.669 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CCOc1ccccc1 ZINC000026222774 507570103 /nfs/dbraw/zinc/57/01/03/507570103.db2.gz NJMQVRFFHPLFNZ-UHFFFAOYSA-N 0 3 373.409 2.943 20 5 FFBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000367126099 512350049 /nfs/dbraw/zinc/35/00/49/512350049.db2.gz KQRVQTZJGQVBEH-CQSZACIVSA-N 0 3 372.400 2.568 20 5 FFBDHN CCN(CC)CCN(CC(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000071990943 507733722 /nfs/dbraw/zinc/73/37/22/507733722.db2.gz CXDLZKHTJJLOCS-UHFFFAOYSA-N 0 3 371.503 2.892 20 5 FFBDHN CC(C)(C)N1CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000063722615 507764200 /nfs/dbraw/zinc/76/42/00/507764200.db2.gz YZGMUEYSCFCXAI-UHFFFAOYSA-N 0 3 371.441 2.727 20 5 FFBDHN CC(C)(C)N1CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000063728085 507765902 /nfs/dbraw/zinc/76/59/02/507765902.db2.gz LQDJIGSOYKQQCZ-UHFFFAOYSA-N 0 3 371.441 2.727 20 5 FFBDHN COc1ccc([C@@H](CNc2c([N+](=O)[O-])ncn2C)N2CCCCC2)cc1 ZINC000029852628 507793047 /nfs/dbraw/zinc/79/30/47/507793047.db2.gz AZYXMDOJUUKTFF-MRXNPFEDSA-N 0 3 359.430 2.976 20 5 FFBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCN1CCCCC1 ZINC000064725054 507807163 /nfs/dbraw/zinc/80/71/63/507807163.db2.gz LIUCNLPNWKPBTJ-GFCCVEGCSA-N 0 3 355.822 2.618 20 5 FFBDHN COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000089644385 507853434 /nfs/dbraw/zinc/85/34/34/507853434.db2.gz IQSAFIQKFWUUFE-OALUTQOASA-N 0 3 371.437 2.789 20 5 FFBDHN Cc1c([C@H](C)NCCn2cc([N+](=O)[O-])cn2)cnn1-c1ccc(F)cc1 ZINC000090538404 507926258 /nfs/dbraw/zinc/92/62/58/507926258.db2.gz YTWSGJGZXVMXMZ-LBPRGKRZSA-N 0 3 358.377 2.775 20 5 FFBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](N(C)C)C1 ZINC000109808324 507988506 /nfs/dbraw/zinc/98/85/06/507988506.db2.gz UCDJOFBJLNVEAM-AAEUAGOBSA-N 0 3 354.838 2.601 20 5 FFBDHN O=[N+]([O-])c1ccc(NCCCCN2CCN(Cc3ccccc3)CC2)cn1 ZINC000079942135 508017973 /nfs/dbraw/zinc/01/79/73/508017973.db2.gz RNADVTYVHLWPIB-UHFFFAOYSA-N 0 3 369.469 3.000 20 5 FFBDHN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@@H](N2CCCC2)C1 ZINC000110521725 508032363 /nfs/dbraw/zinc/03/23/63/508032363.db2.gz JNRKEMAVVJYTMV-MRXNPFEDSA-N 0 3 358.442 2.505 20 5 FFBDHN CC[C@@](C)(O)CNCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000111384729 508095918 /nfs/dbraw/zinc/09/59/18/508095918.db2.gz OQMZCVBLJZSJDB-CQSZACIVSA-N 0 3 366.336 2.795 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](c2ncc[nH]2)C1 ZINC000080959061 508117253 /nfs/dbraw/zinc/11/72/53/508117253.db2.gz MEHFGGDUIYGDQQ-AWEZNQCLSA-N 0 3 357.414 2.835 20 5 FFBDHN COC(=O)C(C)(C)[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000093280808 508134296 /nfs/dbraw/zinc/13/42/96/508134296.db2.gz NHCORNMBXAXXQY-AWEZNQCLSA-N 0 3 350.415 2.885 20 5 FFBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000076397246 508201008 /nfs/dbraw/zinc/20/10/08/508201008.db2.gz HECLFSSGDQOQGF-HNNXBMFYSA-N 0 3 367.409 2.896 20 5 FFBDHN CCN(Cc1ccc2c(c1)OCO2)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000104949346 508354593 /nfs/dbraw/zinc/35/45/93/508354593.db2.gz XRERUWQCMMXBSI-INIZCTEOSA-N 0 3 374.393 2.585 20 5 FFBDHN CNC(=O)c1ccc(NC[C@@H](Cc2ccccc2)N(C)C)c([N+](=O)[O-])c1 ZINC000115713907 508430016 /nfs/dbraw/zinc/43/00/16/508430016.db2.gz IDEXVMHZLMHVBU-MRXNPFEDSA-N 0 3 356.426 2.539 20 5 FFBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000121859770 508434619 /nfs/dbraw/zinc/43/46/19/508434619.db2.gz YRFMJEAGCWRCAT-HZMBPMFUSA-N 0 3 370.247 2.770 20 5 FFBDHN C[C@H](CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])N(C)C1CC1 ZINC000116748331 508554453 /nfs/dbraw/zinc/55/44/53/508554453.db2.gz VDGOALYDABQWEC-LLVKDONJSA-N 0 3 355.822 2.616 20 5 FFBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000153410833 508580933 /nfs/dbraw/zinc/58/09/33/508580933.db2.gz PGAASCZHSOQAEH-YPMHNXCESA-N 0 3 355.822 2.568 20 5 FFBDHN C[C@@H]1C[C@H](N(C)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CCN1C ZINC000122832758 508593411 /nfs/dbraw/zinc/59/34/11/508593411.db2.gz WSQARMJTRPPPTF-NVXWUHKLSA-N 0 3 374.485 2.752 20 5 FFBDHN CN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CCOc1ccccc1 ZINC000117333662 508593826 /nfs/dbraw/zinc/59/38/26/508593826.db2.gz LCDNUAINHSJNSF-UHFFFAOYSA-N 0 3 371.393 2.904 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000128538864 508608066 /nfs/dbraw/zinc/60/80/66/508608066.db2.gz NKCMAKKIDYBTQM-UHFFFAOYSA-N 0 3 373.413 2.560 20 5 FFBDHN Cc1cc(NC(=O)NCc2ccnc(OCCN(C)C)c2)ccc1[N+](=O)[O-] ZINC000153671032 508621491 /nfs/dbraw/zinc/62/14/91/508621491.db2.gz LGJDBUWUWPRUKN-UHFFFAOYSA-N 0 3 373.413 2.560 20 5 FFBDHN CCN(CC)[C@@H](CNC(=O)c1c([N+](=O)[O-])c(C)nn1C)c1ccsc1 ZINC000128704822 508631903 /nfs/dbraw/zinc/63/19/03/508631903.db2.gz ICKLUOASFLWGJS-ZDUSSCGKSA-N 0 3 365.459 2.511 20 5 FFBDHN CCC[C@H](C)NC(=O)[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000153825403 508657154 /nfs/dbraw/zinc/65/71/54/508657154.db2.gz WTLIIOIYQAAPKG-LESCRADOSA-N 0 3 363.458 2.645 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1 ZINC000137448781 508756597 /nfs/dbraw/zinc/75/65/97/508756597.db2.gz NUKCPRRANSFZRA-ZBFHGGJFSA-N 0 3 369.421 2.996 20 5 FFBDHN COc1ccc(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000137485009 508758434 /nfs/dbraw/zinc/75/84/34/508758434.db2.gz OEGGFTCSDLVUIT-PBHICJAKSA-N 0 3 369.421 2.996 20 5 FFBDHN CCN1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000159032459 508783314 /nfs/dbraw/zinc/78/33/14/508783314.db2.gz FOGWEPZNRCKSKU-SNVBAGLBSA-N 0 3 356.220 2.571 20 5 FFBDHN CCCCNC(=O)[C@@H]1CC[C@H](C)N(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000144837963 508841100 /nfs/dbraw/zinc/84/11/00/508841100.db2.gz HQVBYLSIAWHTOD-JKSUJKDBSA-N 0 3 363.458 2.990 20 5 FFBDHN COc1ccc(CN(C)C[C@@H](C)O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000130830794 508853048 /nfs/dbraw/zinc/85/30/48/508853048.db2.gz CZAUKWQUJQIOFO-CQSZACIVSA-N 0 3 360.410 2.995 20 5 FFBDHN Cc1sc(S(=O)(=O)[N-]CCC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000124915504 508905173 /nfs/dbraw/zinc/90/51/73/508905173.db2.gz PTGYZODBCNXBJD-UHFFFAOYSA-N 0 3 363.505 2.752 20 5 FFBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccn(CCN(C)C)n1 ZINC000155287504 508967743 /nfs/dbraw/zinc/96/77/43/508967743.db2.gz AOLDAQOMMKZYSG-UHFFFAOYSA-N 0 3 363.443 2.717 20 5 FFBDHN COc1cc(CNCCn2cc([N+](=O)[O-])cn2)ccc1OCC(F)(F)F ZINC000151273409 508991393 /nfs/dbraw/zinc/99/13/93/508991393.db2.gz HMXLJZZQNKAWMX-UHFFFAOYSA-N 0 3 374.319 2.531 20 5 FFBDHN CCC(CC)(CNCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)OC ZINC000120899581 509085417 /nfs/dbraw/zinc/08/54/17/509085417.db2.gz MPPDOOBIUGXKOZ-UHFFFAOYSA-N 0 3 371.821 2.756 20 5 FFBDHN CCc1[nH]nc(C(=O)N2CCCN(Cc3ccccc3C)CC2)c1[N+](=O)[O-] ZINC000371502290 512436913 /nfs/dbraw/zinc/43/69/13/512436913.db2.gz NPLKHZGZDGUJPZ-UHFFFAOYSA-N 0 3 371.441 2.537 20 5 FFBDHN Cc1nn(C)c(Nc2cccc(N3CCN(C(C)C)CC3)c2)c1[N+](=O)[O-] ZINC000161320650 509101230 /nfs/dbraw/zinc/10/12/30/509101230.db2.gz LOASXVFXVNEFAK-UHFFFAOYSA-N 0 3 358.446 2.911 20 5 FFBDHN CCO[C@@H]1C[C@@H](N(C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000121062915 509120702 /nfs/dbraw/zinc/12/07/02/509120702.db2.gz URQFUOCXNHXYGA-CGTJXYLNSA-N 0 3 364.442 2.614 20 5 FFBDHN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCC(CO)CC1 ZINC000156279215 509154668 /nfs/dbraw/zinc/15/46/68/509154668.db2.gz NPXCKPKVUPBRCR-UHFFFAOYSA-N 0 3 355.822 2.670 20 5 FFBDHN COc1cccc(C(=O)NCCN[C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000162404319 509217202 /nfs/dbraw/zinc/21/72/02/509217202.db2.gz LIQRUFHCBIGADI-CQSZACIVSA-N 0 3 357.410 2.992 20 5 FFBDHN COc1cccc(CN(CCN(C)C)C(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000191956318 509262650 /nfs/dbraw/zinc/26/26/50/509262650.db2.gz IUAAOPFWSMLDNX-UHFFFAOYSA-N 0 3 372.425 2.511 20 5 FFBDHN O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[C@@H](N2CCCC2)C1 ZINC000182662604 509356894 /nfs/dbraw/zinc/35/68/94/509356894.db2.gz HAAURVAEZRYMRC-LLVKDONJSA-N 0 3 368.231 2.668 20 5 FFBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000267138305 509362401 /nfs/dbraw/zinc/36/24/01/509362401.db2.gz GXAQGEIURNGXFM-UHFFFAOYSA-N 0 3 371.393 2.988 20 5 FFBDHN CCN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000163404593 509372202 /nfs/dbraw/zinc/37/22/02/509372202.db2.gz HYWGBDIMDWKDJE-GOEBONIOSA-N 0 3 371.441 2.626 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000248778344 509481602 /nfs/dbraw/zinc/48/16/02/509481602.db2.gz HUBOQGXXFKTORG-KBXCAEBGSA-N 0 3 369.421 2.854 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000248826453 509499744 /nfs/dbraw/zinc/49/97/44/509499744.db2.gz MAABMHMPKPHZLZ-MAUKXSAKSA-N 0 3 353.422 2.774 20 5 FFBDHN COC(=O)C[C@@H]1CCCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000165697500 509580396 /nfs/dbraw/zinc/58/03/96/509580396.db2.gz BNWQWHDMJDSECA-AWEZNQCLSA-N 0 3 363.414 2.649 20 5 FFBDHN CC(C)C[C@H]1OCCC[C@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000186341271 509659572 /nfs/dbraw/zinc/65/95/72/509659572.db2.gz GJSAUCOYSDGTHT-SJLPKXTDSA-N 0 3 361.442 2.667 20 5 FFBDHN CC[C@]1(CO)CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000189657213 509687482 /nfs/dbraw/zinc/68/74/82/509687482.db2.gz YLRWNSPIBADPKX-KRWDZBQOSA-N 0 3 353.394 2.547 20 5 FFBDHN Cc1ccc(NCCCNC(=O)[C@H](CN)c2ccccc2)c([N+](=O)[O-])c1 ZINC000237668135 509706771 /nfs/dbraw/zinc/70/67/71/509706771.db2.gz VLXDXLXVIONSRX-MRXNPFEDSA-N 0 3 356.426 2.564 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCc2ccccc2[C@@H]1CO ZINC000268148578 509782520 /nfs/dbraw/zinc/78/25/20/509782520.db2.gz RCDNBDRGJCQDNL-IBGZPJMESA-N 0 3 369.421 2.824 20 5 FFBDHN CCC1(CC)[C@H](OC)C[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000186608822 509799686 /nfs/dbraw/zinc/79/96/86/509799686.db2.gz SZNVJRYFVMMFTN-JKSUJKDBSA-N 0 3 370.471 2.552 20 5 FFBDHN O=C(NC[C@H](c1ccccc1)N1CCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000183546687 509854912 /nfs/dbraw/zinc/85/49/12/509854912.db2.gz JYVAIQIEQJXDAI-MRXNPFEDSA-N 0 3 355.398 2.948 20 5 FFBDHN CC[C@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCS1 ZINC000173930050 509860257 /nfs/dbraw/zinc/86/02/57/509860257.db2.gz JHMPUZOQUCSWAZ-ZDUSSCGKSA-N 0 3 353.444 2.759 20 5 FFBDHN CCc1ccc([C@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])N(C)C)cc1 ZINC000183627070 509893423 /nfs/dbraw/zinc/89/34/23/509893423.db2.gz XEFFEJJLBDEDEB-INIZCTEOSA-N 0 3 357.414 2.977 20 5 FFBDHN CC(=O)Nc1ccc(OC[C@@H](O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180453343 509933279 /nfs/dbraw/zinc/93/32/79/509933279.db2.gz MDOBJXKMVAXXPA-UGSOOPFHSA-N 0 3 373.409 2.644 20 5 FFBDHN CCOc1ccc([C@H](C)N[C@@H](C)[C@H](C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000245500495 509969211 /nfs/dbraw/zinc/96/92/11/509969211.db2.gz AJCRLFHNZQTMDZ-KKUMJFAQSA-N 0 3 351.447 2.753 20 5 FFBDHN COC(=O)c1cnc(NC[C@H](c2cccs2)N(C)C)c([N+](=O)[O-])c1 ZINC000190164309 509979493 /nfs/dbraw/zinc/97/94/93/509979493.db2.gz YWNMVSCXTBIHPR-GFCCVEGCSA-N 0 3 350.400 2.553 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCNC[C@H]1c1cccc(F)c1 ZINC000261764251 510054832 /nfs/dbraw/zinc/05/48/32/510054832.db2.gz OGFKQNOJSLIIOE-SFHVURJKSA-N 0 3 372.400 2.627 20 5 FFBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000177782857 510250837 /nfs/dbraw/zinc/25/08/37/510250837.db2.gz ISMPGIDGAFPPAZ-OLZOCXBDSA-N 0 3 362.386 2.510 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000177788001 510253271 /nfs/dbraw/zinc/25/32/71/510253271.db2.gz MRLUWPJXGYKOCY-HOCLYGCPSA-N 0 3 360.458 2.842 20 5 FFBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])o1 ZINC000269380558 510373914 /nfs/dbraw/zinc/37/39/14/510373914.db2.gz JDJYLLDOONQPAY-UHFFFAOYSA-N 0 3 363.418 2.547 20 5 FFBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])o1 ZINC000269380558 510373919 /nfs/dbraw/zinc/37/39/19/510373919.db2.gz JDJYLLDOONQPAY-UHFFFAOYSA-N 0 3 363.418 2.547 20 5 FFBDHN CCc1n[nH]c(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)c1[N+](=O)[O-] ZINC000171806371 510381507 /nfs/dbraw/zinc/38/15/07/510381507.db2.gz FLEUFKRODVZSTM-MRXNPFEDSA-N 0 3 371.441 2.756 20 5 FFBDHN CCCN1CCC(N(C)S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)CC1 ZINC000175089895 510479290 /nfs/dbraw/zinc/47/92/90/510479290.db2.gz WGNALPNQANRGOL-UHFFFAOYSA-N 0 3 369.487 2.707 20 5 FFBDHN CCOC(=O)c1ccnc(NC[C@H](C)N2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000246598984 510576335 /nfs/dbraw/zinc/57/63/35/510576335.db2.gz ABURXHSMVUAFAU-OLZOCXBDSA-N 0 3 350.419 2.699 20 5 FFBDHN Cc1nc2ccccc2n1C[C@@H]1CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000270126147 510685453 /nfs/dbraw/zinc/68/54/53/510685453.db2.gz GJKQUNLTFUEBGZ-HNNXBMFYSA-N 0 3 354.414 2.614 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000246935940 510754719 /nfs/dbraw/zinc/75/47/19/510754719.db2.gz HIGNNOBBQDMSSD-DNVCBOLYSA-N 0 3 370.453 2.999 20 5 FFBDHN CN(C)c1cccc(CN(C)C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000182218920 510818269 /nfs/dbraw/zinc/81/82/69/510818269.db2.gz ZGBYUTOSMVQMKF-KRWDZBQOSA-N 0 3 359.426 2.533 20 5 FFBDHN C[C@@H]1CN(CC2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000263839674 510852295 /nfs/dbraw/zinc/85/22/95/510852295.db2.gz VRIYENHCXLYMJP-BETUJISGSA-N 0 3 367.471 2.618 20 5 FFBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000247216402 510852726 /nfs/dbraw/zinc/85/27/26/510852726.db2.gz CKUCIAZYQPYRRM-NVXWUHKLSA-N 0 3 374.485 2.610 20 5 FFBDHN O=C1Nc2ccccc2[C@@]12CCN(CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000364452917 510874636 /nfs/dbraw/zinc/87/46/36/510874636.db2.gz XPWZHBZQRDAQFE-IBGZPJMESA-N 0 3 353.378 2.569 20 5 FFBDHN CCN(CCNC(=O)c1cc([N+](=O)[O-])ccc1SCCOC)C1CC1 ZINC000270704498 510956361 /nfs/dbraw/zinc/95/63/61/510956361.db2.gz MRUHEAQHSQQOSI-UHFFFAOYSA-N 0 3 367.471 2.547 20 5 FFBDHN Cc1nc(N(CCN(C)C)Cc2ccc(F)c(F)c2)ncc1[N+](=O)[O-] ZINC000297481642 510962569 /nfs/dbraw/zinc/96/25/69/510962569.db2.gz LTJJNAIKVOAQSY-UHFFFAOYSA-N 0 3 351.357 2.540 20 5 FFBDHN COc1cc(C(=O)NCc2cccc(CN(C)C)c2)c([N+](=O)[O-])cc1F ZINC000294293873 511016915 /nfs/dbraw/zinc/01/69/15/511016915.db2.gz FIGJSVWABFKFOM-UHFFFAOYSA-N 0 3 361.373 2.734 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](c2ccncn2)C1 ZINC000361650748 511074264 /nfs/dbraw/zinc/07/42/64/511074264.db2.gz AVBSYEKDDOJABC-HNNXBMFYSA-N 0 3 369.425 2.901 20 5 FFBDHN COc1cc(C(=O)NC[C@@H](c2ccccc2)N(C)C)c([N+](=O)[O-])cc1F ZINC000294504082 511087031 /nfs/dbraw/zinc/08/70/31/511087031.db2.gz XGRNUEHKYNARIL-INIZCTEOSA-N 0 3 361.373 2.775 20 5 FFBDHN COC(=O)[C@@H]1CC12CCN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC2 ZINC000271194621 511115787 /nfs/dbraw/zinc/11/57/87/511115787.db2.gz QWLFNAQPFSPPIQ-ZDUSSCGKSA-N 0 3 370.352 2.971 20 5 FFBDHN CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CCc1cnccn1 ZINC000271287221 511150616 /nfs/dbraw/zinc/15/06/16/511150616.db2.gz BFLDMCAXWJQZOC-UHFFFAOYSA-N 0 3 353.382 2.757 20 5 FFBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)c1 ZINC000272179835 511456119 /nfs/dbraw/zinc/45/61/19/511456119.db2.gz CQSUEGDMUYODRY-OAHLLOKOSA-N 0 3 373.461 2.837 20 5 FFBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)c1 ZINC000272179835 511456122 /nfs/dbraw/zinc/45/61/22/511456122.db2.gz CQSUEGDMUYODRY-OAHLLOKOSA-N 0 3 373.461 2.837 20 5 FFBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272205176 511464960 /nfs/dbraw/zinc/46/49/60/511464960.db2.gz ZDHMXJJIGPLGPU-DOMZBBRYSA-N 0 3 353.369 2.629 20 5 FFBDHN C[C@@H]1C[C@@H](c2cccnc2)N(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000365588061 511545214 /nfs/dbraw/zinc/54/52/14/511545214.db2.gz UENKQNZMYJPZRG-HFTRVMKXSA-N 0 3 357.410 2.813 20 5 FFBDHN CS[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000284206033 511642071 /nfs/dbraw/zinc/64/20/71/511642071.db2.gz SRNMCESMTRYXOK-HZPDHXFCSA-N 0 3 366.443 2.515 20 5 FFBDHN CC(C)[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)C1(CO)CCC1 ZINC000292829053 511735942 /nfs/dbraw/zinc/73/59/42/511735942.db2.gz QYMBAMBGQZPTPQ-QGZVFWFLSA-N 0 3 350.415 2.738 20 5 FFBDHN Cc1ccc(C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000363879692 511827107 /nfs/dbraw/zinc/82/71/07/511827107.db2.gz PJEJBEATVFOQEF-HNNXBMFYSA-N 0 3 355.394 2.873 20 5 FFBDHN COc1ccccc1COC[C@@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296846451 511921319 /nfs/dbraw/zinc/92/13/19/511921319.db2.gz XQNBBSRPIMWPTI-KSSFIOAISA-N 0 3 360.410 2.832 20 5 FFBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000296881959 511934578 /nfs/dbraw/zinc/93/45/78/511934578.db2.gz XASFSLDDULKVQM-CYBMUJFWSA-N 0 3 371.441 2.787 20 5 FFBDHN Cc1cc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)ccc1-n1cncn1 ZINC000369556842 512477000 /nfs/dbraw/zinc/47/70/00/512477000.db2.gz PSMQQPBJOLODMQ-UHFFFAOYSA-N 0 3 367.413 2.518 20 5 FFBDHN CC(C)N1CCN([C@H]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)C2)CC1 ZINC000375867667 512545167 /nfs/dbraw/zinc/54/51/67/512545167.db2.gz DUKXHTOIBZQEEJ-INIZCTEOSA-N 0 3 369.469 2.748 20 5 FFBDHN Cc1c(C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)cccc1[N+](=O)[O-] ZINC000378162043 512619084 /nfs/dbraw/zinc/61/90/84/512619084.db2.gz SXBNTPUZEWGRGP-AWEZNQCLSA-N 0 3 355.394 2.873 20 5 FFBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)CC[C@H]1N1CCN(C)CC1 ZINC000374306569 512756697 /nfs/dbraw/zinc/75/66/97/512756697.db2.gz AVAFTHWHGXTUJC-NVXWUHKLSA-N 0 3 369.469 2.605 20 5 FFBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@H](O)Cc3cccc(Cl)c3)CC2)n1 ZINC000376509045 512850053 /nfs/dbraw/zinc/85/00/53/512850053.db2.gz ZCXFKWZQCWYODT-MRXNPFEDSA-N 0 3 364.833 2.685 20 5 FFBDHN O=C(CCN1C[C@H](O)C[C@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000411920926 512875691 /nfs/dbraw/zinc/87/56/91/512875691.db2.gz CUAIMRAAEPBEFY-QAPCUYQASA-N 0 3 355.394 2.731 20 5 FFBDHN NC(=O)[C@@]1(c2ccccc2)CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000411962556 512891751 /nfs/dbraw/zinc/89/17/51/512891751.db2.gz GNGBBLFFRHSMNA-SFHVURJKSA-N 0 3 359.813 2.877 20 5 FFBDHN Cc1ccnc(C2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000368326258 512900101 /nfs/dbraw/zinc/90/01/01/512900101.db2.gz FNDIVWXOSIYZTQ-UHFFFAOYSA-N 0 3 369.425 2.901 20 5 FFBDHN CNc1c(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000389892136 512903911 /nfs/dbraw/zinc/90/39/11/512903911.db2.gz WOLVNSRVWOVZMD-YOEHRIQHSA-N 0 3 368.437 2.887 20 5 FFBDHN CNc1ccc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000389952308 512904128 /nfs/dbraw/zinc/90/41/28/512904128.db2.gz SNMINEUWGIKXND-RDTXWAMCSA-N 0 3 368.437 2.887 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@H]3CCCC[C@]32c2ccccc2)c1 ZINC000370706822 513063143 /nfs/dbraw/zinc/06/31/43/513063143.db2.gz FVDFXYLXHBDWBE-QRQLOZEOSA-N 0 3 356.426 2.554 20 5 FFBDHN Cc1cc(CN)cc(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000424443613 513148076 /nfs/dbraw/zinc/14/80/76/513148076.db2.gz KVYJGIIYEVFOID-UHFFFAOYSA-N 0 3 369.425 2.716 20 5 FFBDHN CCN1CCC[C@@H](CN(C)c2ncc(C)cc2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000433783641 513150684 /nfs/dbraw/zinc/15/06/84/513150684.db2.gz QOBYRAXQBUMTLU-MAUKXSAKSA-N 0 3 372.473 2.941 20 5 FFBDHN COc1cc(OCCN(C)C)ccc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000412567525 513167364 /nfs/dbraw/zinc/16/73/64/513167364.db2.gz ZFJYLGTYDCFMGW-UHFFFAOYSA-N 0 3 373.409 2.725 20 5 FFBDHN Cc1c(NC(=O)[C@H](C)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000429041009 513266300 /nfs/dbraw/zinc/26/63/00/513266300.db2.gz NTDWPAFPWWLPCP-QMYADUOMSA-N 0 3 374.485 2.892 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@]3(CCCc4ccccc43)C2)c1 ZINC000440326304 513294199 /nfs/dbraw/zinc/29/41/99/513294199.db2.gz MGKIUGDNHLQJON-UYAOXDASSA-N 0 3 370.453 2.522 20 5 FFBDHN Cc1c(CNC(=O)NC[C@@H]2NCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000418056294 513356921 /nfs/dbraw/zinc/35/69/21/513356921.db2.gz CKGRZRZOABTNLX-KRWDZBQOSA-N 0 3 354.410 2.589 20 5 FFBDHN COC1([C@@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000421844335 513451243 /nfs/dbraw/zinc/45/12/43/513451243.db2.gz TWAQVZRPOAPFPL-CQSZACIVSA-N 0 3 370.471 2.696 20 5 FFBDHN CNCc1cccc(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000415925526 513483013 /nfs/dbraw/zinc/48/30/13/513483013.db2.gz AYCNZTFVCOLINC-UHFFFAOYSA-N 0 3 369.425 2.668 20 5 FFBDHN CNCc1cccc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000415930683 513484794 /nfs/dbraw/zinc/48/47/94/513484794.db2.gz KTYQPOADUXYTKC-UHFFFAOYSA-N 0 3 369.425 2.668 20 5 FFBDHN CCc1nn(C)c(CC)c1CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447587708 513515897 /nfs/dbraw/zinc/51/58/97/513515897.db2.gz RXXWRDAUWAQTDH-RDJZCZTQSA-N 0 3 360.462 2.923 20 5 FFBDHN CCCc1[nH]nc(C(=O)Nc2cccc3c2OCC[C@H]3N(C)C)c1[N+](=O)[O-] ZINC000447730024 513554825 /nfs/dbraw/zinc/55/48/25/513554825.db2.gz PCBVFEZVEJCLLN-CQSZACIVSA-N 0 3 373.413 2.908 20 5 FFBDHN CCCc1[n-]nc(C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)c1[N+](=O)[O-] ZINC000447730024 513554830 /nfs/dbraw/zinc/55/48/30/513554830.db2.gz PCBVFEZVEJCLLN-CQSZACIVSA-N 0 3 373.413 2.908 20 5 FFBDHN CCc1ccccc1[C@@H](N)CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418644847 513589902 /nfs/dbraw/zinc/58/99/02/513589902.db2.gz CQWUZMAGSSHZGC-IBGZPJMESA-N 0 3 368.437 2.925 20 5 FFBDHN O=C(CCN1CCc2ccccc2C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000416186864 513632689 /nfs/dbraw/zinc/63/26/89/513632689.db2.gz CKRIHWWIOLAATF-UHFFFAOYSA-N 0 3 365.433 2.928 20 5 FFBDHN CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000413542715 513706693 /nfs/dbraw/zinc/70/66/93/513706693.db2.gz XEPRKGYGEXKRCX-SJLPKXTDSA-N 0 3 356.426 2.939 20 5 FFBDHN CN(C)Cc1ccc(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000448594312 513799222 /nfs/dbraw/zinc/79/92/22/513799222.db2.gz LIMQOLYJFNZBOT-UHFFFAOYSA-N 0 3 369.421 2.936 20 5 FFBDHN CCO[C@@H]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H]1C ZINC000451522736 513806244 /nfs/dbraw/zinc/80/62/44/513806244.db2.gz BRHLXPCNNKXSNP-CZUORRHYSA-N 0 3 363.414 2.640 20 5 FFBDHN O=C(CN[C@H]([C@H](CO)C1CC1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451606912 513862547 /nfs/dbraw/zinc/86/25/47/513862547.db2.gz MGNYHAOOOVKLEX-DYVFJYSZSA-N 0 3 367.833 2.573 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@]2(CCSC2)C1 ZINC000451964048 514098460 /nfs/dbraw/zinc/09/84/60/514098460.db2.gz INIZLDDUQJSHHO-YOEHRIQHSA-N 0 3 352.456 2.554 20 5 FFBDHN O=C(CNc1c(Cl)cccc1[N+](=O)[O-])NCCN1CCCCCC1 ZINC000432170154 514115426 /nfs/dbraw/zinc/11/54/26/514115426.db2.gz PYOXUBNGLPVDGZ-UHFFFAOYSA-N 0 3 354.838 2.652 20 5 FFBDHN C[C@H]1CN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C[C@H]1N(C)C ZINC000444156603 514139292 /nfs/dbraw/zinc/13/92/92/514139292.db2.gz DFUFSVFWDLXSCZ-YVEFUNNKSA-N 0 3 367.424 2.843 20 5 FFBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1cc(S(C)(=O)=O)ccc1F ZINC000449305954 514156922 /nfs/dbraw/zinc/15/69/22/514156922.db2.gz IXMXZENPBKFAIB-GFCCVEGCSA-N 0 3 366.414 2.858 20 5 FFBDHN CCOC(=O)[C@H]1CN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC12COC2 ZINC000449364320 514180342 /nfs/dbraw/zinc/18/03/42/514180342.db2.gz NSSKLQVIDNQGMD-OEXZBZRSSA-N 0 3 360.410 2.510 20 5 FFBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H]2CCCN2CCCO)o1 ZINC000449384824 514189678 /nfs/dbraw/zinc/18/96/78/514189678.db2.gz CTVVXXLAWMMDQJ-OAHLLOKOSA-N 0 3 359.426 2.791 20 5 FFBDHN COc1cc(CN[C@@H]2CCC[C@H](CO)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414578600 514190692 /nfs/dbraw/zinc/19/06/92/514190692.db2.gz PPXQEUSDYVIMTL-WCQYABFASA-N 0 3 374.384 2.888 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000427396057 514202585 /nfs/dbraw/zinc/20/25/85/514202585.db2.gz BTNXZMWDLPKATJ-UHFFFAOYSA-N 0 3 361.398 2.709 20 5 FFBDHN CCc1ccccc1[C@H](N)CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000414654410 514224137 /nfs/dbraw/zinc/22/41/37/514224137.db2.gz JIEZUKCQTXCVIS-OAHLLOKOSA-N 0 3 358.398 2.987 20 5 FFBDHN Cn1cc(CN2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449558874 514255029 /nfs/dbraw/zinc/25/50/29/514255029.db2.gz XEJBXNAGRUUYSY-MDZRGWNJSA-N 0 3 370.453 2.978 20 5 FFBDHN CNC(=O)C[C@@H](C)NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000449599205 514267805 /nfs/dbraw/zinc/26/78/05/514267805.db2.gz FTWHISJTSJDPDC-CQSZACIVSA-N 0 3 356.426 2.977 20 5 FFBDHN CC[C@@H](C)N1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000449624321 514271981 /nfs/dbraw/zinc/27/19/81/514271981.db2.gz NKMFHYIRNNUVLQ-OAHLLOKOSA-N 0 3 357.458 2.911 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(Cl)c1NC1CCN(CCC(=O)N(C)C)CC1 ZINC000444827315 514344233 /nfs/dbraw/zinc/34/42/33/514344233.db2.gz JPSIHLHPRDFROE-UHFFFAOYSA-N 0 3 368.865 2.911 20 5 FFBDHN CN(C)C1(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000438507627 514392726 /nfs/dbraw/zinc/39/27/26/514392726.db2.gz ALFQAHKYULQXOX-UHFFFAOYSA-N 0 3 355.822 2.618 20 5 FFBDHN COc1cc(CN(C)C[C@@H]2CCCN2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000421006126 514434702 /nfs/dbraw/zinc/43/47/02/514434702.db2.gz PRPLULZHRYVACM-ZDUSSCGKSA-N 0 3 373.400 2.773 20 5 FFBDHN Cc1nc(Nc2cccc(N3CCN(CC4CC4)CC3)c2)ncc1[N+](=O)[O-] ZINC000450275105 514576453 /nfs/dbraw/zinc/57/64/53/514576453.db2.gz LRFBARMCZSTTGL-UHFFFAOYSA-N 0 3 368.441 2.969 20 5 FFBDHN COCC[C@@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000466471313 514656315 /nfs/dbraw/zinc/65/63/15/514656315.db2.gz BJLUVAMBROHVTR-NSHDSACASA-N 0 3 354.790 2.995 20 5 FFBDHN CCOc1cc(N2CCN(CC(C)(C)COC)CC2)ccc1[N+](=O)[O-] ZINC000475516897 514698741 /nfs/dbraw/zinc/69/87/41/514698741.db2.gz OPAPLYKMOITCBZ-UHFFFAOYSA-N 0 3 351.447 2.788 20 5 FFBDHN CN(C)CCOc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1F ZINC000458325916 514710172 /nfs/dbraw/zinc/71/01/72/514710172.db2.gz UMQGUHBBUGHPSX-UHFFFAOYSA-N 0 3 361.373 2.856 20 5 FFBDHN CN(C)CCN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CCCC1 ZINC000502802914 514784169 /nfs/dbraw/zinc/78/41/69/514784169.db2.gz QUBJGRAPDGNIRA-UHFFFAOYSA-N 0 3 358.442 2.882 20 5 FFBDHN CNC(=O)c1ccc(NCCN(C)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000484833149 514810659 /nfs/dbraw/zinc/81/06/59/514810659.db2.gz VVJFVJDFALRSLK-UHFFFAOYSA-N 0 3 360.389 2.637 20 5 FFBDHN O=C(NC[C@H]1CCN(Cc2ccccc2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000471281329 514824494 /nfs/dbraw/zinc/82/44/94/514824494.db2.gz CWNNANFVGSDXCV-OAHLLOKOSA-N 0 3 357.385 2.986 20 5 FFBDHN COc1c(C(=O)NC[C@H](C)N(C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000475900151 514847622 /nfs/dbraw/zinc/84/76/22/514847622.db2.gz OYVCYQJTCYXUMI-AWEZNQCLSA-N 0 3 357.410 2.854 20 5 FFBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NCC1(SC)CCN(C)CC1 ZINC000484964346 514857997 /nfs/dbraw/zinc/85/79/97/514857997.db2.gz VRXCETAWTGNTSF-UHFFFAOYSA-N 0 3 367.471 2.551 20 5 FFBDHN COc1c(C(=O)N(CCN(C)C)Cc2cccs2)cccc1[N+](=O)[O-] ZINC000476274194 514979257 /nfs/dbraw/zinc/97/92/57/514979257.db2.gz RHBHZPQUFHGKOH-UHFFFAOYSA-N 0 3 363.439 2.869 20 5 FFBDHN COc1c(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000476310138 514993940 /nfs/dbraw/zinc/99/39/40/514993940.db2.gz UKMBMLZRWHSLAG-HOCLYGCPSA-N 0 3 369.421 2.996 20 5 FFBDHN O=[N+]([O-])c1cccc2ncnc(NC[C@@H](c3ccco3)N3CCCC3)c21 ZINC000509056484 515004049 /nfs/dbraw/zinc/00/40/49/515004049.db2.gz JRNKTXOZCMAXIH-HNNXBMFYSA-N 0 3 353.382 2.802 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000499141078 515216918 /nfs/dbraw/zinc/21/69/18/515216918.db2.gz HIVCZVRHFHIIOC-KRWDZBQOSA-N 0 3 357.410 2.945 20 5 FFBDHN CS[C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1N1CCCC1 ZINC000509622073 515261994 /nfs/dbraw/zinc/26/19/94/515261994.db2.gz BFIIWQYJFAVELL-HZPDHXFCSA-N 0 3 357.426 2.885 20 5 FFBDHN CNc1c(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)cccc1[N+](=O)[O-] ZINC000462927944 515303800 /nfs/dbraw/zinc/30/38/00/515303800.db2.gz UNSVPPZRCRUFLL-QGZVFWFLSA-N 0 3 356.426 2.978 20 5 FFBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000468457144 515366492 /nfs/dbraw/zinc/36/64/92/515366492.db2.gz BEAGTLGPMIEZGY-QGZVFWFLSA-N 0 3 371.441 2.631 20 5 FFBDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1N)N(C)C ZINC000510551401 515583920 /nfs/dbraw/zinc/58/39/20/515583920.db2.gz UFQSAZAHUYMYGQ-ACJLOTCBSA-N 0 3 356.426 2.907 20 5 FFBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCN(C(C)C)C2)cc1OC ZINC000457126158 515671779 /nfs/dbraw/zinc/67/17/79/515671779.db2.gz QWVMSBPRLXUMKT-ZDUSSCGKSA-N 0 3 365.430 2.557 20 5 FFBDHN Cc1cc(C)c(S(=O)(=O)NCC[C@H](C)N2CCCCC2)cc1[N+](=O)[O-] ZINC000493887029 515676470 /nfs/dbraw/zinc/67/64/70/515676470.db2.gz AFAGRCOJFMHKBN-HNNXBMFYSA-N 0 3 369.487 2.754 20 5 FFBDHN C[C@@H]1[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000494070185 515726943 /nfs/dbraw/zinc/72/69/43/515726943.db2.gz VOEDGIWECGYNNV-BEFAXECRSA-N 0 3 353.422 2.917 20 5 FFBDHN CN(Cc1cccc2[nH]ccc21)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000494110027 515736909 /nfs/dbraw/zinc/73/69/09/515736909.db2.gz YFKVCCIPFNHOSM-OAHLLOKOSA-N 0 3 355.394 2.948 20 5 FFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC(C)(C)CN(C)C ZINC000457230993 515741134 /nfs/dbraw/zinc/74/11/34/515741134.db2.gz FZRSTHWNCIJXFN-UHFFFAOYSA-N 0 3 358.236 2.736 20 5 FFBDHN CN(C)C[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000500560504 515769651 /nfs/dbraw/zinc/76/96/51/515769651.db2.gz HOSXNRNOCWNIGT-SFHVURJKSA-N 0 3 374.416 2.879 20 5 FFBDHN CC(C)c1ccc(C(=O)NC[C@]2(N(C)C)CCSC2)cc1[N+](=O)[O-] ZINC000473857880 515779099 /nfs/dbraw/zinc/77/90/99/515779099.db2.gz IDJWYOMGAJKRAE-QGZVFWFLSA-N 0 3 351.472 2.885 20 5 FFBDHN CCOc1ccc(NC(=O)CNC2(CCO)CCCCC2)c([N+](=O)[O-])c1 ZINC000474275453 515966522 /nfs/dbraw/zinc/96/65/22/515966522.db2.gz MAHLUEPVSUDJJS-UHFFFAOYSA-N 0 3 365.430 2.607 20 5 FFBDHN COC(=O)[C@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]1C ZINC000469997508 516067681 /nfs/dbraw/zinc/06/76/81/516067681.db2.gz ZYKKEKUDSOQWOE-DOMZBBRYSA-N 0 3 359.382 2.676 20 5 FFBDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455372005 516157500 /nfs/dbraw/zinc/15/75/00/516157500.db2.gz PKAOJMPIBLZLJF-UHFFFAOYSA-N 0 3 371.441 2.755 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000512118136 516160058 /nfs/dbraw/zinc/16/00/58/516160058.db2.gz GNSNPHMBQWVICG-RYUDHWBXSA-N 0 3 367.833 2.782 20 5 FFBDHN CN(CCNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000512145601 516173059 /nfs/dbraw/zinc/17/30/59/516173059.db2.gz CWBIPWJEJFECSG-UHFFFAOYSA-N 0 3 370.453 2.911 20 5 FFBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000495580634 516190449 /nfs/dbraw/zinc/19/04/49/516190449.db2.gz LSMUSAXHJWCYRM-HIFRSBDPSA-N 0 3 369.512 2.824 20 5 FFBDHN CN(CCN(C)C1CCCCC1)c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000497536684 516325678 /nfs/dbraw/zinc/32/56/78/516325678.db2.gz XLKPVBAAYNWBOW-UHFFFAOYSA-N 0 3 369.487 2.699 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)CC[C@H]2CCCCN2C)c1 ZINC000543674669 516358398 /nfs/dbraw/zinc/35/83/98/516358398.db2.gz HQBZFOSZZUWLNW-OAHLLOKOSA-N 0 3 369.487 2.707 20 5 FFBDHN CC[C@H]1CN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C[C@@H](C)S1(=O)=O ZINC000557751243 516420219 /nfs/dbraw/zinc/42/02/19/516420219.db2.gz QURJNVNDZGXWRU-OCCSQVGLSA-N 0 3 363.439 2.853 20 5 FFBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@@H](N1CCOCC1)C(F)(F)F ZINC000512972590 516430004 /nfs/dbraw/zinc/43/00/04/516430004.db2.gz UYXRNUPBQJCTHF-RCBBPTIPSA-N 0 3 373.375 2.851 20 5 FFBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC1(S(C)(=O)=O)CCCC1 ZINC000513007537 516439112 /nfs/dbraw/zinc/43/91/12/516439112.db2.gz RCBCIIZHPOGARS-UVTDQMKNSA-N 0 3 352.456 2.945 20 5 FFBDHN CCc1nnc(NC(=O)[C@H](C)[C@H](C)NCc2cccc([N+](=O)[O-])c2)s1 ZINC000513074480 516462382 /nfs/dbraw/zinc/46/23/82/516462382.db2.gz HHIDDVNAGSHFIV-MNOVXSKESA-N 0 3 363.443 2.762 20 5 FFBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@@H](C)C1 ZINC000558022813 516555043 /nfs/dbraw/zinc/55/50/43/516555043.db2.gz JOASVHSDNGZAEJ-VEVIJQCQSA-N 0 3 356.426 2.878 20 5 FFBDHN C[C@H]1C[C@H]1N1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000558025805 516555119 /nfs/dbraw/zinc/55/51/19/516555119.db2.gz PJABPCLXYPXXEH-YQQAZPJKSA-N 0 3 361.442 2.552 20 5 FFBDHN C[C@H](NC(=O)N1CCc2ccccc2[C@H]1CN)c1ccc([N+](=O)[O-])cc1 ZINC000518180610 516568646 /nfs/dbraw/zinc/56/86/46/516568646.db2.gz XNNRAECLKNDSLB-SCLBCKFNSA-N 0 3 354.410 2.924 20 5 FFBDHN COCC[C@](C)(O)CNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000523840183 516591020 /nfs/dbraw/zinc/59/10/20/516591020.db2.gz XNHORFWVUFAMLG-SFHVURJKSA-N 0 3 364.398 2.741 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CN1C1CC1 ZINC000554699308 516593242 /nfs/dbraw/zinc/59/32/42/516593242.db2.gz BWJWVVBPLNDRLV-JSGCOSHPSA-N 0 3 371.441 2.543 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000531695101 516600268 /nfs/dbraw/zinc/60/02/68/516600268.db2.gz BDVYUQFWSGMKMT-DZGCQCFKSA-N 0 3 374.393 2.722 20 5 FFBDHN CSc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)N(C)C)cc1 ZINC000561727442 516734672 /nfs/dbraw/zinc/73/46/72/516734672.db2.gz XMNKLXLZHFWKHG-INIZCTEOSA-N 0 3 362.455 2.688 20 5 FFBDHN COc1ccc(C2(NC[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000541326171 516992448 /nfs/dbraw/zinc/99/24/48/516992448.db2.gz RNIBDDFFDWKNFY-OAHLLOKOSA-N 0 3 358.394 2.622 20 5 FFBDHN CC[C@H](C)N[C@@H](CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])c1ccco1 ZINC000519658811 517110398 /nfs/dbraw/zinc/11/03/98/517110398.db2.gz DIDWMDOCUKNRBA-RYUDHWBXSA-N 0 3 363.418 2.894 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H](O)[C@@H]3CCOC3)o2)c(Cl)c1 ZINC000537315419 517140113 /nfs/dbraw/zinc/14/01/13/517140113.db2.gz SCWNWGQHRABOPJ-BDJLRTHQSA-N 0 3 366.801 2.995 20 5 FFBDHN CS[C@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@@H]1N1CCCC1 ZINC000519712401 517142399 /nfs/dbraw/zinc/14/23/99/517142399.db2.gz XXXWSIZSLDWJGQ-IRXDYDNUSA-N 0 3 362.499 2.885 20 5 FFBDHN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCC(=O)N2 ZINC000552238980 517157092 /nfs/dbraw/zinc/15/70/92/517157092.db2.gz YNPWIOAZSSFNLB-GFCCVEGCSA-N 0 3 357.366 2.655 20 5 FFBDHN C[C@H](Cc1ccsc1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541740808 517195649 /nfs/dbraw/zinc/19/56/49/517195649.db2.gz RDFHUTINIDMSDM-GFCCVEGCSA-N 0 3 354.453 2.651 20 5 FFBDHN NC(=O)c1ccc(CN(CCOc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000520059492 517266850 /nfs/dbraw/zinc/26/68/50/517266850.db2.gz FDEHXLHNQQQICU-UHFFFAOYSA-N 0 3 355.394 2.737 20 5 FFBDHN Cc1ccccc1[C@@H](CO)NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000541981410 517319757 /nfs/dbraw/zinc/31/97/57/517319757.db2.gz AXCLNPVTLHNGSX-GOSISDBHSA-N 0 3 357.410 2.863 20 5 FFBDHN COc1ccc2c(c1)CCCN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000542279882 517481447 /nfs/dbraw/zinc/48/14/47/517481447.db2.gz QDAYJDITHJLBBI-QGZVFWFLSA-N 0 3 372.421 2.792 20 5 FFBDHN CN(CCN1CCCC1)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000542365377 517523859 /nfs/dbraw/zinc/52/38/59/517523859.db2.gz XZQZKAMKISVKDQ-UHFFFAOYSA-N 0 3 357.863 2.895 20 5 FFBDHN Cc1cc(C)cc(OCCNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000562987599 517559759 /nfs/dbraw/zinc/55/97/59/517559759.db2.gz YPTHORTWGAADHE-QGZVFWFLSA-N 0 3 360.410 2.620 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2ccnc(C(F)(F)F)c2)c1 ZINC000562998422 517570898 /nfs/dbraw/zinc/57/08/98/517570898.db2.gz IFVAQPZKCZTREC-ZDUSSCGKSA-N 0 3 371.315 2.538 20 5 FFBDHN COc1ccc([C@H](CN(C)C)NC(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000560249950 517657730 /nfs/dbraw/zinc/65/77/30/517657730.db2.gz NOJLLTSXBLCKKC-SFHVURJKSA-N 0 3 357.410 2.945 20 5 FFBDHN C[C@@H]1CCCCN1CCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000556874431 517721085 /nfs/dbraw/zinc/72/10/85/517721085.db2.gz JUNQNMJRQSMPFS-CRAIPNDOSA-N 0 3 357.458 2.882 20 5 FFBDHN CC(=O)NCCN(C/C=C/c1ccccc1[N+](=O)[O-])C1CCSCC1 ZINC000549852310 517745933 /nfs/dbraw/zinc/74/59/33/517745933.db2.gz ILDRDNHRGISRTI-GQCTYLIASA-N 0 3 363.483 2.942 20 5 FFBDHN CCCCO[C@H]1C[C@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000534178483 517774003 /nfs/dbraw/zinc/77/40/03/517774003.db2.gz VBGXZRHKKNXPOD-HOTGVXAUSA-N 0 3 351.447 2.672 20 5 FFBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000516623378 517774600 /nfs/dbraw/zinc/77/46/00/517774600.db2.gz LMBOFUVLFJHPMG-IUODEOHRSA-N 0 3 372.400 2.881 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000542852641 517781506 /nfs/dbraw/zinc/78/15/06/517781506.db2.gz OBYWXDDGLPDZIY-ONGXEEELSA-N 0 3 355.341 2.551 20 5 FFBDHN COc1cc(C(=O)NCCN2[C@H](C)CCC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000521670967 517821638 /nfs/dbraw/zinc/82/16/38/517821638.db2.gz CPTNZLOLAIQJRK-CHWSQXEVSA-N 0 3 365.430 2.605 20 5 FFBDHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@@H]1CN1CCCCC1 ZINC000516945695 517931141 /nfs/dbraw/zinc/93/11/41/517931141.db2.gz YZLNLAMJWHIXTA-CYBMUJFWSA-N 0 3 367.396 2.892 20 5 FFBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000534768880 518027327 /nfs/dbraw/zinc/02/73/27/518027327.db2.gz LUYJYNDOGYSKRB-SFHVURJKSA-N 0 3 368.437 2.561 20 5 FFBDHN CC(C)[C@@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)N1CCC(C)CC1 ZINC000557493333 518035281 /nfs/dbraw/zinc/03/52/81/518035281.db2.gz MXRNRUJAMQUZCC-QGZVFWFLSA-N 0 3 373.457 2.834 20 5 FFBDHN CN(C)CCSCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000531032748 518109952 /nfs/dbraw/zinc/10/99/52/518109952.db2.gz NXSQUPVAPAFQEG-UHFFFAOYSA-N 0 3 366.468 2.952 20 5 FFBDHN CC[C@H](C)N[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000569640885 518215450 /nfs/dbraw/zinc/21/54/50/518215450.db2.gz MRDFNZYOHJBOAK-XJKSGUPXSA-N 0 3 361.398 2.812 20 5 FFBDHN COc1cnccc1N1CCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)CC1 ZINC000566927051 518269487 /nfs/dbraw/zinc/26/94/87/518269487.db2.gz TWGMXVMGQGIDRH-UHFFFAOYSA-N 0 3 373.413 2.507 20 5 FFBDHN CCN(C[C@H]1CCCN1CC)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000567056349 518331937 /nfs/dbraw/zinc/33/19/37/518331937.db2.gz XNEVJBQCGQPUPW-QGZVFWFLSA-N 0 3 371.441 2.727 20 5 FFBDHN Cc1ccc(-c2cccc(CNC[C@H](O)Cn3cc([N+](=O)[O-])cn3)c2)cc1 ZINC000578740441 518351617 /nfs/dbraw/zinc/35/16/17/518351617.db2.gz GYGXDYABWOJMNZ-FQEVSTJZSA-N 0 3 366.421 2.917 20 5 FFBDHN Cc1cccc(OC[C@@H](C)NC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000584524916 518383838 /nfs/dbraw/zinc/38/38/38/518383838.db2.gz NCDORYRLFLDHHC-HZPDHXFCSA-N 0 3 360.410 2.700 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000576082152 518418462 /nfs/dbraw/zinc/41/84/62/518418462.db2.gz CQBICGSREIFXAW-OAHLLOKOSA-N 0 3 356.426 2.527 20 5 FFBDHN COc1ccc(NC(=O)NCC2(SC)CCN(C)CC2)cc1[N+](=O)[O-] ZINC000584751102 518458360 /nfs/dbraw/zinc/45/83/60/518458360.db2.gz VUGMYCNIEOGPTP-UHFFFAOYSA-N 0 3 368.459 2.552 20 5 FFBDHN CCCC[N@H+](C)C[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000579055832 518497711 /nfs/dbraw/zinc/49/77/11/518497711.db2.gz ONJRBUBUAYKKEE-LLVKDONJSA-N 0 3 363.867 2.647 20 5 FFBDHN CCCC[N@@H+](C)C[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000579055832 518497715 /nfs/dbraw/zinc/49/77/15/518497715.db2.gz ONJRBUBUAYKKEE-LLVKDONJSA-N 0 3 363.867 2.647 20 5 FFBDHN CCC[N@@H+](CC)C[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000570321410 518549162 /nfs/dbraw/zinc/54/91/62/518549162.db2.gz JKYJYOGFFOFIRB-LLVKDONJSA-N 0 3 363.867 2.647 20 5 FFBDHN COc1ccc(COC[C@H](O)CNCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000564863135 518660422 /nfs/dbraw/zinc/66/04/22/518660422.db2.gz HAELPXBWUDVGAH-QGZVFWFLSA-N 0 3 360.410 2.579 20 5 FFBDHN COc1ccc(C(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000568011346 518830255 /nfs/dbraw/zinc/83/02/55/518830255.db2.gz KRGYYRBKQUGOSU-HXUWFJFHSA-N 0 3 369.421 2.998 20 5 FFBDHN CC1CCN(CCN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000573987833 518932226 /nfs/dbraw/zinc/93/22/26/518932226.db2.gz DRYJTDMCXCKQGX-GOSISDBHSA-N 0 3 357.458 2.739 20 5 FFBDHN CCOc1ccc([C@@H](C)NCc2ccc(CC(N)=O)cc2)cc1[N+](=O)[O-] ZINC000589344819 518985905 /nfs/dbraw/zinc/98/59/05/518985905.db2.gz LZKSBPGIPOGFDX-CYBMUJFWSA-N 0 3 357.410 2.872 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000589505979 519020172 /nfs/dbraw/zinc/02/01/72/519020172.db2.gz SVUPVLKBWIWCPX-MAUKXSAKSA-N 0 3 373.453 2.830 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H](c2ccccc2)[C@H]2CCCO2)c1 ZINC000580184546 519049723 /nfs/dbraw/zinc/04/97/23/519049723.db2.gz GXHKQOZHNVCVJL-MISYRCLQSA-N 0 3 372.421 2.844 20 5 FFBDHN CCOc1ccc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1F ZINC000577500303 519112002 /nfs/dbraw/zinc/11/20/02/519112002.db2.gz BOOMQODHLZUEBM-HNNXBMFYSA-N 0 3 364.373 2.662 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000590014363 519130121 /nfs/dbraw/zinc/13/01/21/519130121.db2.gz BSRIDNIQDJWCMW-SJCJKPOMSA-N 0 3 367.833 2.570 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H](c3ccccn3)C2)c1 ZINC000590602699 519285927 /nfs/dbraw/zinc/28/59/27/519285927.db2.gz VTQMLTRXAQRLKZ-WBVHZDCISA-N 0 3 357.410 2.609 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CN[C@@H]1CCO[C@@H](c3ccncc3)C1)OCCO2 ZINC000590660230 519305305 /nfs/dbraw/zinc/30/53/05/519305305.db2.gz QYPYQVGHMLRLBG-NVXWUHKLSA-N 0 3 371.393 2.771 20 5 FFBDHN Cc1c2ccccc2n(C)c1CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566123583 519315922 /nfs/dbraw/zinc/31/59/22/519315922.db2.gz MGPAKTSRGXXWMJ-OAHLLOKOSA-N 0 3 369.421 2.924 20 5 FFBDHN CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C1CC1)[C@@H]1CCN(C2CC2)C1 ZINC000580899206 519416838 /nfs/dbraw/zinc/41/68/38/519416838.db2.gz YYUPMAPCIXPLLM-QGZVFWFLSA-N 0 3 368.441 2.861 20 5 FFBDHN CCN1CCN(CCCN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000566345466 519445138 /nfs/dbraw/zinc/44/51/38/519445138.db2.gz HCVIZKUOFNNFPA-INIZCTEOSA-N 0 3 374.407 2.815 20 5 FFBDHN Cc1cc2cc(CNC[C@H](O)COc3ccccc3[N+](=O)[O-])ccc2[nH]1 ZINC000575054238 519475981 /nfs/dbraw/zinc/47/59/81/519475981.db2.gz WIENXMNIRQRLQE-INIZCTEOSA-N 0 3 355.394 2.914 20 5 FFBDHN Cc1cccc(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)c1[N+](=O)[O-] ZINC000569392200 519526399 /nfs/dbraw/zinc/52/63/99/519526399.db2.gz YJKCKOAZQJSEFB-MRXNPFEDSA-N 0 3 355.394 2.722 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCN[C@@H](c2ccncc2)C2(CO)CCC2)cc1 ZINC000602903330 519961773 /nfs/dbraw/zinc/96/17/73/519961773.db2.gz QQYASRJLAUUXBY-SFHVURJKSA-N 0 3 357.410 2.862 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(SC)CC1 ZINC000602923622 519974255 /nfs/dbraw/zinc/97/42/55/519974255.db2.gz SOWKTBIPAYKNND-UHFFFAOYSA-N 0 3 353.444 2.759 20 5 FFBDHN C[C@@](CO)(NC[C@@H](O)Cc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000602963651 519996914 /nfs/dbraw/zinc/99/69/14/519996914.db2.gz YAJVPHFASGFBSV-ROUUACIJSA-N 0 3 364.829 2.649 20 5 FFBDHN O=C(NCCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1cccc([O-])c1 ZINC000594493289 520001652 /nfs/dbraw/zinc/00/16/52/520001652.db2.gz KXGMUHSFOQNCMR-KRWDZBQOSA-N 0 3 355.394 2.697 20 5 FFBDHN CO[C@](C)(CO)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000594512211 520008732 /nfs/dbraw/zinc/00/87/32/520008732.db2.gz VAGJTAPPKGIKBE-INIZCTEOSA-N 0 3 354.790 2.995 20 5 FFBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1c2ccccc2C[C@@H]1O ZINC000594519350 520011997 /nfs/dbraw/zinc/01/19/97/520011997.db2.gz PYVVBPVKGDGFIE-KHDYIWLOSA-N 0 3 355.394 2.560 20 5 FFBDHN CCn1ccc(CN(C)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c1 ZINC000616786049 520139043 /nfs/dbraw/zinc/13/90/43/520139043.db2.gz AYHFZJXBCGLYIA-UHFFFAOYSA-N 0 3 358.398 2.846 20 5 FFBDHN O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1CCN1C1CCCCC1 ZINC000600227766 520139544 /nfs/dbraw/zinc/13/95/44/520139544.db2.gz GBOLPAFDAJEUHA-INIZCTEOSA-N 0 3 361.442 2.887 20 5 FFBDHN CCc1cc(NCCN2CCCCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000609111596 520194045 /nfs/dbraw/zinc/19/40/45/520194045.db2.gz PIOTXFYHAYNBKI-UHFFFAOYSA-N 0 3 355.442 2.934 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000595003043 520250814 /nfs/dbraw/zinc/25/08/14/520250814.db2.gz BMEQGJBVWQLXHP-KKUMJFAQSA-N 0 3 351.447 2.753 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000595007481 520255191 /nfs/dbraw/zinc/25/51/91/520255191.db2.gz OEVJQLGTRDBTIL-QAPCUYQASA-N 0 3 364.490 2.526 20 5 FFBDHN CC1(C)[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@@H]21 ZINC000595032258 520263799 /nfs/dbraw/zinc/26/37/99/520263799.db2.gz LTVLGGFOXBYZCI-OWCLPIDISA-N 0 3 352.456 2.783 20 5 FFBDHN Cn1ccnc1[C@@H](N[C@H]1CCN(C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595056352 520271909 /nfs/dbraw/zinc/27/19/09/520271909.db2.gz FOPMTLYOKMYXIM-RDJZCZTQSA-N 0 3 357.458 2.880 20 5 FFBDHN O=C1N(CCN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@H]2CCCCN12 ZINC000595102115 520294678 /nfs/dbraw/zinc/29/46/78/520294678.db2.gz JUAWXRAKGVASRS-SJLPKXTDSA-N 0 3 358.442 2.852 20 5 FFBDHN CC(C)(C)N1CC[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000597925413 520326414 /nfs/dbraw/zinc/32/64/14/520326414.db2.gz ORVKVVCCVSRKJT-OAHLLOKOSA-N 0 3 360.458 2.798 20 5 FFBDHN C[C@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCCC[C@@H]1C ZINC000609547792 520353890 /nfs/dbraw/zinc/35/38/90/520353890.db2.gz JIPGANJFJUELJK-QWHCGFSZSA-N 0 3 372.425 2.841 20 5 FFBDHN CCOc1ccc([C@H](C)NCC(C)(C)[C@@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000592398154 520367972 /nfs/dbraw/zinc/36/79/72/520367972.db2.gz QBFGKQYFQKUEMI-SCLBCKFNSA-N 0 3 352.431 2.822 20 5 FFBDHN CCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCN(CC)C1 ZINC000598040545 520389641 /nfs/dbraw/zinc/38/96/41/520389641.db2.gz HTNPBLQEPSNTMB-JSGCOSHPSA-N 0 3 369.849 2.958 20 5 FFBDHN CCCCN1CCCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000609674922 520403177 /nfs/dbraw/zinc/40/31/77/520403177.db2.gz XNXKJMVRBOHLRV-HNNXBMFYSA-N 0 3 369.487 2.836 20 5 FFBDHN CC1(OCC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CNC1 ZINC000592536058 520446864 /nfs/dbraw/zinc/44/68/64/520446864.db2.gz GLUKCHBYEOWKCN-UHFFFAOYSA-N 0 3 357.366 2.704 20 5 FFBDHN CC(C)(C)n1nnc(CCN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000595526506 520529631 /nfs/dbraw/zinc/52/96/31/520529631.db2.gz SRUVJHCDENZRAJ-HNNXBMFYSA-N 0 3 358.446 2.758 20 5 FFBDHN O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000604535024 520593477 /nfs/dbraw/zinc/59/34/77/520593477.db2.gz PBQLIZKSJCUWGX-KRWDZBQOSA-N 0 3 354.410 2.518 20 5 FFBDHN CCCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000592830160 520606815 /nfs/dbraw/zinc/60/68/15/520606815.db2.gz COLRQHFXJKYWED-INIZCTEOSA-N 0 3 360.458 2.751 20 5 FFBDHN CN1C[C@@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000592881333 520631751 /nfs/dbraw/zinc/63/17/51/520631751.db2.gz MFEZYFQMCTWRIT-PBHICJAKSA-N 0 3 357.385 2.809 20 5 FFBDHN COc1ccc([C@@H](CNc2ncc(F)cc2[N+](=O)[O-])N(C)C)cc1OC ZINC000601100216 520634970 /nfs/dbraw/zinc/63/49/70/520634970.db2.gz NIAMNGSGJIIEKE-CQSZACIVSA-N 0 3 364.377 2.861 20 5 FFBDHN CN(C)CCOc1ccc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000593034650 520696741 /nfs/dbraw/zinc/69/67/41/520696741.db2.gz PXGRQCYYZQRPFF-UHFFFAOYSA-N 0 3 361.373 2.856 20 5 FFBDHN O=[N+]([O-])c1c2cccnc2ccc1N1CCCN(C[C@H]2CCCO2)CC1 ZINC000610489205 520711206 /nfs/dbraw/zinc/71/12/06/520711206.db2.gz MQMBMGHIOKGNKU-OAHLLOKOSA-N 0 3 356.426 2.834 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000595770867 520713726 /nfs/dbraw/zinc/71/37/26/520713726.db2.gz OBJRPQFMIUHFDB-DOTOQJQBSA-N 0 3 371.441 2.576 20 5 FFBDHN CCCCN1CCC(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)CC1 ZINC000598598592 520733435 /nfs/dbraw/zinc/73/34/35/520733435.db2.gz CPBVMTXUCLWGMW-UHFFFAOYSA-N 0 3 369.487 2.754 20 5 FFBDHN CN(c1ccccc1)[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000595825992 520748466 /nfs/dbraw/zinc/74/84/66/520748466.db2.gz ISXBZKSCJCCYFA-MSOLQXFVSA-N 0 3 371.437 2.545 20 5 FFBDHN CN(C)CCN(Cc1ccsc1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593172059 520797948 /nfs/dbraw/zinc/79/79/48/520797948.db2.gz GAVOUXOGHIVHNH-UHFFFAOYSA-N 0 3 365.430 2.928 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CCOC(C)(C)C ZINC000610859961 520877436 /nfs/dbraw/zinc/87/74/36/520877436.db2.gz XPWWLFZNDDWOSQ-UHFFFAOYSA-N 0 3 353.419 2.679 20 5 FFBDHN CN1C[C@@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000601649489 520884429 /nfs/dbraw/zinc/88/44/29/520884429.db2.gz PMILINALMCWMQY-CABCVRRESA-N 0 3 357.385 2.809 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1N1CC[C@H](OCCN3CCCCC3)C1)CCN2 ZINC000618156485 520908091 /nfs/dbraw/zinc/90/80/91/520908091.db2.gz SCHWFZQXJCTMOJ-HNNXBMFYSA-N 0 3 360.458 2.644 20 5 FFBDHN O=c1[n-]ccc(NCC2([NH+]3CCSCC3)CCCCC2)c1[N+](=O)[O-] ZINC000596124931 520927284 /nfs/dbraw/zinc/92/72/84/520927284.db2.gz JISHTTXBEWZUGY-UHFFFAOYSA-N 0 3 352.460 2.859 20 5 FFBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@@H](C)CN1Cc1ccccc1 ZINC000596176211 520954237 /nfs/dbraw/zinc/95/42/37/520954237.db2.gz BBYSXHJNSPSKBM-CABCVRRESA-N 0 3 368.437 2.793 20 5 FFBDHN CCN1CCC[C@H]1CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000598978004 520956301 /nfs/dbraw/zinc/95/63/01/520956301.db2.gz GHFIVRBBSDTCIW-JTQLQIEISA-N 0 3 356.220 2.571 20 5 FFBDHN COc1cc(CN[C@H]2C[C@H](OC)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000599014848 520980872 /nfs/dbraw/zinc/98/08/72/520980872.db2.gz HTWVRENJHOJXKQ-XYPYZODXSA-N 0 3 364.320 2.812 20 5 FFBDHN O=c1[n-]ccc(N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1[N+](=O)[O-] ZINC000596231183 520985066 /nfs/dbraw/zinc/98/50/66/520985066.db2.gz HBFVQBJEOYLURB-IBGZPJMESA-N 0 3 354.410 2.798 20 5 FFBDHN O=c1[n-]ccc(N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1[N+](=O)[O-] ZINC000596231183 520985070 /nfs/dbraw/zinc/98/50/70/520985070.db2.gz HBFVQBJEOYLURB-IBGZPJMESA-N 0 3 354.410 2.798 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc(CN3CC[C@H](O)C3)cc2)n1 ZINC000596423584 521063227 /nfs/dbraw/zinc/06/32/27/521063227.db2.gz LSQGLPLXYPLPNT-KRWDZBQOSA-N 0 3 356.426 2.785 20 5 FFBDHN CCC1(N2CCOCC2)CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000599183793 521076841 /nfs/dbraw/zinc/07/68/41/521076841.db2.gz VARQGDPUXMTANV-UHFFFAOYSA-N 0 3 371.441 2.619 20 5 FFBDHN Cn1nc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c2ccccc21 ZINC000618575541 521130825 /nfs/dbraw/zinc/13/08/25/521130825.db2.gz PDTGOBHFXKVBNO-YOEHRIQHSA-N 0 3 354.414 2.952 20 5 FFBDHN COC(=O)COc1ccc(CN[C@@H]2CCCC[C@H]2SC)cc1[N+](=O)[O-] ZINC000593654827 521133946 /nfs/dbraw/zinc/13/39/46/521133946.db2.gz VYTNFRMUQMEVQF-CZUORRHYSA-N 0 3 368.455 2.910 20 5 FFBDHN O=C([C@H]1CCN1C1CCCC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602108985 521147342 /nfs/dbraw/zinc/14/73/42/521147342.db2.gz WVHMOLFZICZBQV-LJQANCHMSA-N 0 3 373.453 2.982 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCCN2CCC(Oc3cnccn3)CC2)cc1 ZINC000618762641 521219034 /nfs/dbraw/zinc/21/90/34/521219034.db2.gz KBAHAIZTHUJTBU-UHFFFAOYSA-N 0 3 358.398 2.697 20 5 FFBDHN O=C(NC1CC1)c1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000618821815 521251623 /nfs/dbraw/zinc/25/16/23/521251623.db2.gz MDYUJGPCQIKSKZ-UHFFFAOYSA-N 0 3 369.425 2.521 20 5 FFBDHN O=[N+]([O-])c1ccc2ncnc(NCC3(N4CCSCC4)CCCC3)c2c1 ZINC000611702728 521288136 /nfs/dbraw/zinc/28/81/36/521288136.db2.gz XKMHKGPQCZGYFQ-UHFFFAOYSA-N 0 3 373.482 2.733 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H](c2ccccn2)C2CCC2)c1 ZINC000599569134 521304243 /nfs/dbraw/zinc/30/42/43/521304243.db2.gz LHNJNLVIXDWIPH-QFBILLFUSA-N 0 3 357.410 2.861 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000596836389 521321297 /nfs/dbraw/zinc/32/12/97/521321297.db2.gz IOTPNYSLVBZUIR-OAHLLOKOSA-N 0 3 362.430 2.586 20 5 FFBDHN Cc1cc(N2CCO[C@H](C(=O)OC(C)(C)C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000611928157 521397646 /nfs/dbraw/zinc/39/76/46/521397646.db2.gz MZVUPDZNRUFCBK-KRWDZBQOSA-N 0 3 373.409 2.998 20 5 FFBDHN Cc1ccn2cc(CNC3CCN(c4ccc([N+](=O)[O-])nc4)CC3)nc2c1 ZINC000602551703 521407760 /nfs/dbraw/zinc/40/77/60/521407760.db2.gz QBWCBCVKKVZVIC-UHFFFAOYSA-N 0 3 366.425 2.705 20 5 FFBDHN CN(CCCN1CCN(C)CC1)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602656763 521463372 /nfs/dbraw/zinc/46/33/72/521463372.db2.gz MZEQSLZLTHRHHH-UHFFFAOYSA-N 0 3 374.407 2.683 20 5 FFBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597097208 521503512 /nfs/dbraw/zinc/50/35/12/521503512.db2.gz DTNWBHOUPCWYJI-SNVBAGLBSA-N 0 3 355.826 2.636 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000602784134 521529146 /nfs/dbraw/zinc/52/91/46/521529146.db2.gz QCBMQMHUSBAUSY-INIZCTEOSA-N 0 3 357.458 2.696 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000602804953 521542451 /nfs/dbraw/zinc/54/24/51/521542451.db2.gz IFMAEPZTGSPVHA-CYBMUJFWSA-N 0 3 357.414 2.577 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](c1cccs1)C1(CO)CCC1 ZINC000602837574 521561957 /nfs/dbraw/zinc/56/19/57/521561957.db2.gz OXWUBFLUUIJYPG-OAHLLOKOSA-N 0 3 350.444 2.655 20 5 FFBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCN(c2ccncc2)CC1 ZINC000602846561 521567772 /nfs/dbraw/zinc/56/77/72/521567772.db2.gz RMLBVFUADSLNLU-HNNXBMFYSA-N 0 3 369.425 2.529 20 5 FFBDHN O=C1CC[C@@H]2CN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC[C@@H]2N1 ZINC000597204842 521572834 /nfs/dbraw/zinc/57/28/34/521572834.db2.gz GGAOTVBBYQQQIC-PBHICJAKSA-N 0 3 355.394 2.955 20 5 FFBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cccc(NS(C)(=O)=O)c1 ZINC000619846242 521901480 /nfs/dbraw/zinc/90/14/80/521901480.db2.gz WAQKGWWIRGVHIT-UHFFFAOYSA-N 0 3 363.439 2.641 20 5 FFBDHN CC(C)C[N@@H+]1CCC[C@H](CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000820092427 607467305 /nfs/dbraw/zinc/46/73/05/607467305.db2.gz LPIAAYNYARXREY-CYBMUJFWSA-N 0 3 359.434 2.555 20 5 FFBDHN CC(C)C[N@H+]1CCC[C@H](CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000820092427 607467307 /nfs/dbraw/zinc/46/73/07/607467307.db2.gz LPIAAYNYARXREY-CYBMUJFWSA-N 0 3 359.434 2.555 20 5 FFBDHN CC(C)C[N@@H+]1CCC[C@H](CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000820092427 607467309 /nfs/dbraw/zinc/46/73/09/607467309.db2.gz LPIAAYNYARXREY-CYBMUJFWSA-N 0 3 359.434 2.555 20 5 FFBDHN CC(C)C[N@H+]1CCC[C@H](CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000820092427 607467311 /nfs/dbraw/zinc/46/73/11/607467311.db2.gz LPIAAYNYARXREY-CYBMUJFWSA-N 0 3 359.434 2.555 20 5 FFBDHN C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000824600166 608488218 /nfs/dbraw/zinc/48/82/18/608488218.db2.gz WXBATRFAOWNURC-LBPRGKRZSA-N 0 3 354.370 2.505 20 5 FFBDHN C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000824600166 608488219 /nfs/dbraw/zinc/48/82/19/608488219.db2.gz WXBATRFAOWNURC-LBPRGKRZSA-N 0 3 354.370 2.505 20 5 FFBDHN Cc1ccc([C@@H](C)[NH2+]CCOc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000826283255 608554037 /nfs/dbraw/zinc/55/40/37/608554037.db2.gz NMUFKISHOCKCCA-CYBMUJFWSA-N 0 3 368.397 2.813 20 5 FFBDHN C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824605296 609141129 /nfs/dbraw/zinc/14/11/29/609141129.db2.gz HJLCZWBEXDJZPG-NSHDSACASA-N 0 3 356.361 2.807 20 5 FFBDHN C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824605296 609141130 /nfs/dbraw/zinc/14/11/30/609141130.db2.gz HJLCZWBEXDJZPG-NSHDSACASA-N 0 3 356.361 2.807 20 5 FFBDHN CN(C[C@@H]1CCCN1C)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000159135482 728901312 /nfs/dbraw/zinc/90/13/12/728901312.db2.gz LMGKDPFNPYCSCJ-JTQLQIEISA-N 0 3 356.220 2.524 20 5 FFBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CN3CCC[C@@H]3CO2)c(Br)c1 ZINC000091672573 728460940 /nfs/dbraw/zinc/46/09/40/728460940.db2.gz BMPJQSJHTCPVEQ-VXGBXAGGSA-N 0 3 356.220 2.632 20 5 FFBDHN COc1cc(CN[C@@H](C)C[C@@H](O)c2ccco2)c([N+](=O)[O-])cc1OC ZINC000130552121 728719402 /nfs/dbraw/zinc/71/94/02/728719402.db2.gz VRMMITFOOFJLAL-SMDDNHRTSA-N 0 3 350.371 2.807 20 5 FFBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC1CCN(C(C)(C)C)CC1 ZINC000132293820 728724156 /nfs/dbraw/zinc/72/41/56/728724156.db2.gz RJNXTDVWCFVMIJ-UHFFFAOYSA-N 0 3 373.450 2.584 20 5 FFBDHN Cc1c(CNCCn2cc(Br)ccc2=O)cccc1[N+](=O)[O-] ZINC000873128708 731878077 /nfs/dbraw/zinc/87/80/77/731878077.db2.gz AMSCIIZOOKUKJJ-UHFFFAOYSA-N 0 3 366.215 2.617 20 5 FFBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000874828669 732104563 /nfs/dbraw/zinc/10/45/63/732104563.db2.gz YDWCAOHAGXAPES-UONOGXRCSA-N 0 3 357.332 2.922 20 5 FFBDHN NC(=O)C1(N2CCCCC2)CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000882814002 733298027 /nfs/dbraw/zinc/29/80/27/733298027.db2.gz AKOIHPGQYIZGMH-UHFFFAOYSA-N 0 3 366.849 2.558 20 5 FFBDHN C[C@@H](Cc1cnccn1)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000883295355 733361578 /nfs/dbraw/zinc/36/15/78/733361578.db2.gz GCROGLVTBMXXHM-JTQLQIEISA-N 0 3 351.204 2.868 20 5 FFBDHN O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000733157716 734794495 /nfs/dbraw/zinc/79/44/95/734794495.db2.gz CXOZSFLEWNGRBP-AWEZNQCLSA-N 0 3 367.833 2.621 20 5 FFBDHN CCN1C[C@H](C)N(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C ZINC000766253167 737212528 /nfs/dbraw/zinc/21/25/28/737212528.db2.gz JATYXDAGLZYRPN-NEPJUHHUSA-N 0 3 354.838 2.601 20 5 FFBDHN CCOc1ccc([C@@H](C)N[C@@H]2CCCN(C(=O)OC)C2)cc1[N+](=O)[O-] ZINC000768100924 737397650 /nfs/dbraw/zinc/39/76/50/737397650.db2.gz GCCFGXFNHAXKBF-TZMCWYRMSA-N 0 3 351.403 2.875 20 5 FFBDHN O=[N+]([O-])c1ccc(Cl)cc1CN[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000769802959 737568372 /nfs/dbraw/zinc/56/83/72/737568372.db2.gz XJANLXFJBJVWNM-WBVHZDCISA-N 0 3 353.850 2.981 20 5 FFBDHN CN1C[C@H]2[C@@H](CCN2C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000930544029 739124710 /nfs/dbraw/zinc/12/47/10/739124710.db2.gz KBCUNSGVONOXSC-ZANVPECISA-N 0 3 369.219 2.525 20 5 FFBDHN C[C@@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788603590 739262895 /nfs/dbraw/zinc/26/28/95/739262895.db2.gz FHTOPLAKJRJLDK-YPMHNXCESA-N 0 3 350.419 2.837 20 5 FFBDHN CN(C(=O)CCc1c(Cl)cccc1[N+](=O)[O-])[C@H]1CN2CCC1CC2 ZINC000932538883 739466921 /nfs/dbraw/zinc/46/69/21/739466921.db2.gz KRCZFEUXOZTIEE-INIZCTEOSA-N 0 3 351.834 2.733 20 5 FFBDHN CC(C)N(C)C[C@H](C)Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000811848754 741567103 /nfs/dbraw/zinc/56/71/03/741567103.db2.gz RVWGHAMRTQHBDQ-JTQLQIEISA-N 0 3 365.402 2.732 20 5 FFBDHN CC(COC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)[N+](=O)[O-] ZINC000813099696 741677079 /nfs/dbraw/zinc/67/70/79/741677079.db2.gz APLOBIYDENGPBL-QMMMGPOBSA-N 0 3 361.251 2.852 20 5 FFBDHN CC(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)[N+](=O)[O-] ZINC000813105117 741677374 /nfs/dbraw/zinc/67/73/74/741677374.db2.gz JQFRSFRWCKFABS-JTQLQIEISA-N 0 3 361.320 2.525 20 5 FFBDHN CC(COC(=O)C[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000813113257 741678914 /nfs/dbraw/zinc/67/89/14/741678914.db2.gz OUPKYVQECHVMEC-MGPQQGTHSA-N 0 3 358.435 2.868 20 5 FFBDHN COCC1(NCc2ccc(Br)c([N+](=O)[O-])c2)CCOCC1 ZINC000814302509 741810592 /nfs/dbraw/zinc/81/05/92/741810592.db2.gz VZJXNRYJRBVDAG-UHFFFAOYSA-N 0 3 359.220 2.643 20 5 FFBDHN Cc1ccc([C@@H](C)NCCn2cnc(Br)n2)cc1[N+](=O)[O-] ZINC000821401560 742621662 /nfs/dbraw/zinc/62/16/62/742621662.db2.gz FWJYLAJHQZRAAB-SNVBAGLBSA-N 0 3 354.208 2.608 20 5 FFBDHN CCN(CC)CC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000839863474 746945886 /nfs/dbraw/zinc/94/58/86/746945886.db2.gz ITWOLKUZJMLEOU-ZDUSSCGKSA-N 0 3 351.300 2.795 20 5 FFBDHN CN(C)CCN(C)C(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000841760116 747451887 /nfs/dbraw/zinc/45/18/87/747451887.db2.gz RANFIAIMJACFLB-LBPRGKRZSA-N 0 3 366.315 2.540 20 5 FFBDHN CSc1c(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cnn1C ZINC000845877037 748342629 /nfs/dbraw/zinc/34/26/29/748342629.db2.gz DMXQGCADQYINEB-RNCFNFMXSA-N 0 3 353.375 2.844 20 5 FFBDHN COCc1ncc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])s1 ZINC000845883782 748344971 /nfs/dbraw/zinc/34/49/71/748344971.db2.gz VXTSAXDWKAGQMC-XPTSAGLGSA-N 0 3 354.359 2.992 20 5 FFBDHN COc1cnc(F)c(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000847736946 748770048 /nfs/dbraw/zinc/77/00/48/748770048.db2.gz GIEQIMYAMZSUAG-YMTOWFKASA-N 0 3 352.293 2.932 20 5 FFBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000852199018 749800127 /nfs/dbraw/zinc/80/01/27/749800127.db2.gz FFSXUWKUWOFWDI-CYBMUJFWSA-N 0 3 354.838 2.920 20 5 FFBDHN COc1ccc([C@@H](NC(C)C)C(=O)NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000895940317 971100624 /nfs/dbraw/zinc/10/06/24/971100624.db2.gz LKLQJAFBHUFTTM-GOSISDBHSA-N 0 3 357.410 2.959 20 5 FFBDHN O=C1CN(CN2CCC[C@H]2C2CCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000728195240 959390720 /nfs/dbraw/zinc/39/07/20/959390720.db2.gz DLZVTOFELMWEMJ-INIZCTEOSA-N 0 3 358.398 2.585 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000134886685 960092963 /nfs/dbraw/zinc/09/29/63/960092963.db2.gz ZJZYVWCVHAPDSK-BBRMVZONSA-N 0 3 354.410 2.691 20 5 FFBDHN COC(=O)[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)[C@H]([C@H]2CCCO2)C1 ZINC000933181422 963675870 /nfs/dbraw/zinc/67/58/70/963675870.db2.gz QUJQXMHEDBSXKE-BPQIPLTHSA-N 0 3 362.426 2.570 20 5 FFBDHN C[C@@](CO)(NCCCn1c(=O)[nH]c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC001175322790 1013444332 /nfs/dbraw/zinc/44/43/32/1013444332.db2.gz GERLDAKULYWKIZ-IBGZPJMESA-N 0 3 370.409 2.538 20 5 FFBDHN C[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1cnn(CC2CCC2)c1 ZINC001176849290 1013794663 /nfs/dbraw/zinc/79/46/63/1013794663.db2.gz MYPZOLWZGSFRJA-PBHICJAKSA-N 0 3 374.441 2.682 20 5 FFBDHN C[C@H](CN1CCCCC1)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000027752258 975325008 /nfs/dbraw/zinc/32/50/08/975325008.db2.gz RYSXLJUHTNREQG-OAHLLOKOSA-N 0 3 360.458 2.799 20 5 FFBDHN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCN(C2CCCCC2)CC1 ZINC000765575199 985202650 /nfs/dbraw/zinc/20/26/50/985202650.db2.gz HGLCSHZFLQFAPA-UHFFFAOYSA-N 0 3 372.469 2.942 20 5 FFBDHN COC(=O)[C@H](C)[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000154619953 990326336 /nfs/dbraw/zinc/32/63/36/990326336.db2.gz HPZCWORBYPDFAC-JEBQAFNWSA-N 0 3 358.394 2.768 20 5 FFBDHN COc1cccc(C(=O)N(CCN(C)C)Cc2ccc(C)o2)c1[N+](=O)[O-] ZINC000194690522 990445029 /nfs/dbraw/zinc/44/50/29/990445029.db2.gz ARWFLEJZLVMIAL-UHFFFAOYSA-N 0 3 361.398 2.709 20 5 FFBDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000731466496 997933403 /nfs/dbraw/zinc/93/34/03/997933403.db2.gz SOOQDQYTHDNMGJ-MRXNPFEDSA-N 0 3 368.437 2.916 20 5 FFBDHN COc1cc2c(cc1CNC[C@H](O)c1ccc([N+](=O)[O-])cc1)O[C@@H](C)C2 ZINC000731678716 998143800 /nfs/dbraw/zinc/14/38/00/998143800.db2.gz ONTXIOMBXRQUCY-SJCJKPOMSA-N 0 3 358.394 2.750 20 5 FFBDHN Cc1nn(C)c2ncc(C(=O)O[C@H](c3ccccc3F)C(C)[N+](=O)[O-])cc12 ZINC000845873626 998677276 /nfs/dbraw/zinc/67/72/76/998677276.db2.gz VLHRIDBWWKWDDT-BZNIZROVSA-N 0 3 372.356 2.979 20 5 FFBDHN Cc1c(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])nn2c1OCCC2 ZINC000845882674 998678492 /nfs/dbraw/zinc/67/84/92/998678492.db2.gz PMYSPVAEZFLNAG-ABAIWWIYSA-N 0 3 363.345 2.676 20 5 FFBDHN O=C1CCCCN1[C@H]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000732807505 998780922 /nfs/dbraw/zinc/78/09/22/998780922.db2.gz PQCZVEVRTMTCDD-KRWDZBQOSA-N 0 3 361.442 2.841 20 5 FFBDHN CN(C)Cc1ccc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c(F)c1 ZINC001299306843 999097396 /nfs/dbraw/zinc/09/73/96/999097396.db2.gz RMXNCUHLXDFADO-UHFFFAOYSA-N 0 3 371.372 2.784 20 5 FFBDHN Cc1cc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)c(N)c([N+](=O)[O-])c1 ZINC000734178419 999222678 /nfs/dbraw/zinc/22/26/78/999222678.db2.gz XSJUHHLDMVWHGO-INIZCTEOSA-N 0 3 368.437 2.880 20 5 FFBDHN CCn1c2ccccc2nc1N1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169055342 1000019067 /nfs/dbraw/zinc/01/90/67/1000019067.db2.gz PSLBVGOXRRPZHC-HOTGVXAUSA-N 0 3 357.458 2.624 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H](Cn2ccnc2)c2ccccc2)c1 ZINC001197265476 1004147601 /nfs/dbraw/zinc/14/76/01/1004147601.db2.gz SJEKDHVXCOSTDL-RTBURBONSA-N 0 3 352.394 2.856 20 5 FFBDHN O=C(O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CCN(C2CC2)CC1 ZINC000805897703 1004173744 /nfs/dbraw/zinc/17/37/44/1004173744.db2.gz VSWPOFXPSZFJQX-JKSUJKDBSA-N 0 3 362.430 2.693 20 5 FFBDHN COC(=O)COc1ccc(CNC[C@H](OC)c2ccccc2)cc1[N+](=O)[O-] ZINC001199657252 1004990738 /nfs/dbraw/zinc/99/07/38/1004990738.db2.gz HSCSYOKLNXQEPF-SFHVURJKSA-N 0 3 374.393 2.624 20 5 FFBDHN COc1ccccc1Cn1cnc2cc(C(=O)OCC(C)[N+](=O)[O-])ccc21 ZINC000851036756 1005858329 /nfs/dbraw/zinc/85/83/29/1005858329.db2.gz MQJCXEJVFLYUTD-CYBMUJFWSA-N 0 3 369.377 2.915 20 5 FFBDHN O=C1CCCN1C[C@@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000776605801 1006116206 /nfs/dbraw/zinc/11/62/06/1006116206.db2.gz ONZDHTGJMCQGKR-MOPGFXCFSA-N 0 3 369.421 2.582 20 5 FFBDHN O=[N+]([O-])c1cnccc1N1CCCN(Cc2ccccc2)CCOCC1 ZINC001187739917 1006226945 /nfs/dbraw/zinc/22/69/45/1006226945.db2.gz OGFNGGKYWZUWCK-UHFFFAOYSA-N 0 3 356.426 2.719 20 5 FFBDHN O=[N+]([O-])c1cn(CN2CCC[C@@H]2C2CCOCC2)nc1-c1ccccn1 ZINC000853505899 1006418861 /nfs/dbraw/zinc/41/88/61/1006418861.db2.gz SBXVOVSIKNXBSY-MRXNPFEDSA-N 0 3 357.414 2.702 20 5 FFBDHN CCC(=O)c1ccc(N2CCC(N3CCCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000853688358 1006505284 /nfs/dbraw/zinc/50/52/84/1006505284.db2.gz NAXGIJCMISLWTR-UHFFFAOYSA-N 0 3 361.442 2.879 20 5 FFBDHN C[C@@H](NCc1ccccc1Cn1cncn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815558240 1006684437 /nfs/dbraw/zinc/68/44/37/1006684437.db2.gz WEKFTCSSWXNUSI-CYBMUJFWSA-N 0 3 352.398 2.668 20 5 FFBDHN CCN1CCN(c2ccc(C(=O)Nc3ccc(N)c([N+](=O)[O-])c3)cc2)CC1 ZINC000854496136 1006856478 /nfs/dbraw/zinc/85/64/78/1006856478.db2.gz AEMIPKWSVPPDAC-UHFFFAOYSA-N 0 3 369.425 2.571 20 5 FFBDHN CN(C)CCSc1nc(CC(=O)Nc2cccc([N+](=O)[O-])c2)cs1 ZINC001135504474 1006979727 /nfs/dbraw/zinc/97/97/27/1006979727.db2.gz MWTJNIROTBVVLR-UHFFFAOYSA-N 0 3 366.468 2.886 20 5 FFBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000855899416 1007629568 /nfs/dbraw/zinc/62/95/68/1007629568.db2.gz LGPULLWHTJJEKW-ZDUSSCGKSA-N 0 3 355.385 2.923 20 5 FFBDHN Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)CN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000855903428 1007632548 /nfs/dbraw/zinc/63/25/48/1007632548.db2.gz PATHUHLIJKGMAW-LBPRGKRZSA-N 0 3 364.402 2.662 20 5 FFBDHN CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CCN1 ZINC000856485462 1007850535 /nfs/dbraw/zinc/85/05/35/1007850535.db2.gz OKDURWQYPHUKMV-KRWDZBQOSA-N 0 3 360.458 2.655 20 5 FFBDHN CCCNC(=O)c1cccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000818961400 1007978470 /nfs/dbraw/zinc/97/84/70/1007978470.db2.gz QNMCHEGHQABOLM-GOSISDBHSA-N 0 3 357.410 2.558 20 5 FFBDHN O=[N+]([O-])c1cc(CN[C@H]2CCc3ccccc3OC2)c2c(c1)COCO2 ZINC000509445895 1009518870 /nfs/dbraw/zinc/51/88/70/1009518870.db2.gz FFCPBNPRCQPFEL-INIZCTEOSA-N 0 3 356.378 2.945 20 5 FFBDHN O=[N+]([O-])c1cc(F)c(N2CCC(N(C3CC3)C3COC3)CC2)c(F)c1 ZINC001173014770 1012186710 /nfs/dbraw/zinc/18/67/10/1012186710.db2.gz AXQNHHNXHCXNQE-UHFFFAOYSA-N 0 3 353.369 2.705 20 5 FFBDHN CCN(CC)C(=O)[C@H](C)N[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173180341 1012323351 /nfs/dbraw/zinc/32/33/51/1012323351.db2.gz VOEVIKVDPRUJGX-RYUDHWBXSA-N 0 3 355.410 2.520 20 5 FFBDHN CCO[C@@H]1COCC[C@@H]1CC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000870454396 1012390272 /nfs/dbraw/zinc/39/02/72/1012390272.db2.gz KLCINIBURYOPHZ-FAELENHSSA-N 0 3 369.389 2.907 20 5 FFBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801836643 1019433934 /nfs/dbraw/zinc/43/39/34/1019433934.db2.gz POWUJVISLNVLMR-OCCSQVGLSA-N 0 3 372.400 2.881 20 5 FFBDHN CN(C)CCN(Cc1ccco1)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778034620 1020608685 /nfs/dbraw/zinc/60/86/85/1020608685.db2.gz CGYFIPLRNDWALC-UHFFFAOYSA-N 0 3 367.352 2.870 20 5 FFBDHN COc1ccc(OCCN2CCC(c3ccn(C)n3)CC2)c([N+](=O)[O-])c1 ZINC000932145817 1020724297 /nfs/dbraw/zinc/72/42/97/1020724297.db2.gz ZGUOFFBXYNLDPW-UHFFFAOYSA-N 0 3 360.414 2.595 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@@H](CO)c2ccccc2C(F)(F)F)c1 ZINC000933241521 1020983452 /nfs/dbraw/zinc/98/34/52/1020983452.db2.gz MRRFPAYRPKGRQV-JKSUJKDBSA-N 0 3 370.327 2.970 20 5 FFBDHN CN(C)CCN(Cc1ccco1)C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000934493601 1021261194 /nfs/dbraw/zinc/26/11/94/1021261194.db2.gz WXUPJAIWIWNWOI-UHFFFAOYSA-N 0 3 363.389 2.850 20 5 FFBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)N2Cc1ccc(C2CC2)cc1 ZINC001039583285 1022768360 /nfs/dbraw/zinc/76/83/60/1022768360.db2.gz KGOFAERDCGEBNL-IYWMVGAKSA-N 0 3 369.465 2.795 20 5 FFBDHN O=C1NC2(CO1)CCN(Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)CC2 ZINC000753586233 1023356209 /nfs/dbraw/zinc/35/62/09/1023356209.db2.gz GEPWEFWSGZUVGB-UHFFFAOYSA-N 0 3 357.366 2.929 20 5 FFBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@H]32)n1 ZINC000756624640 1023737071 /nfs/dbraw/zinc/73/70/71/1023737071.db2.gz BMSIWOMFRRLRQT-GDBMZVCRSA-N 0 3 369.425 2.568 20 5 FFBDHN O=C(Nc1ccc([C@@H]2CNCCO2)cc1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001122071703 1024318033 /nfs/dbraw/zinc/31/80/33/1024318033.db2.gz YLWSAFAMKIHYAZ-QRVBRYPASA-N 0 3 367.405 2.998 20 5 FFBDHN CN(CCCN(C)C(=O)OC(C)(C)C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839655188 1026777167 /nfs/dbraw/zinc/77/71/67/1026777167.db2.gz TVOPXJOUEBRWOF-INIZCTEOSA-N 0 3 367.446 2.817 20 5 FFBDHN C[C@@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000780763424 1028799891 /nfs/dbraw/zinc/79/98/91/1028799891.db2.gz BZCASKLTVYQNMG-MAUKXSAKSA-N 0 3 357.458 2.882 20 5 FFBDHN COc1nc(N(C)[C@H]2CN(Cc3ccccc3)CC[C@H]2C)ncc1[N+](=O)[O-] ZINC001165184599 1029440279 /nfs/dbraw/zinc/44/02/79/1029440279.db2.gz XQFHDLZIBPQBPZ-PBHICJAKSA-N 0 3 371.441 2.740 20 5 FFBDHN C[C@](CO)(NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1 ZINC000782496985 1029721765 /nfs/dbraw/zinc/72/17/65/1029721765.db2.gz YVQXGWDFYNUNFD-GOSISDBHSA-N 0 3 361.373 2.560 20 5 FFBDHN CN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C[C@@H]1CC=CCC1 ZINC000784394517 1030602740 /nfs/dbraw/zinc/60/27/40/1030602740.db2.gz TXJOLXLOTXSFPA-QGZVFWFLSA-N 0 3 372.469 2.532 20 5 FFBDHN O=C(CCn1cc([N+](=O)[O-])cn1)OC[C@H]1CCCCN1Cc1ccccc1 ZINC000799632612 1031844785 /nfs/dbraw/zinc/84/47/85/1031844785.db2.gz OEXPPEHJLRHBMW-QGZVFWFLSA-N 0 3 372.425 2.779 20 5 FFBDHN O=C(CCn1cc([N+](=O)[O-])cn1)OC[C@@H]1CCCCN1Cc1ccccc1 ZINC000799632611 1031846903 /nfs/dbraw/zinc/84/69/03/1031846903.db2.gz OEXPPEHJLRHBMW-KRWDZBQOSA-N 0 3 372.425 2.779 20 5 FFBDHN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NC[C@@H]1CCCCN1C1CC1 ZINC001140097019 1035341044 /nfs/dbraw/zinc/34/10/44/1035341044.db2.gz HVLSXAPBNOSLQG-AWEZNQCLSA-N 0 3 351.834 2.924 20 5 FFBDHN O=c1oc2ccccc2c(O[C@H]2CC[C@@H](N3CCOCC3)CC2)c1[N+](=O)[O-] ZINC001228803983 1036334426 /nfs/dbraw/zinc/33/44/26/1036334426.db2.gz PHYSGISVFRDYCE-OKILXGFUSA-N 0 3 374.393 2.723 20 5 FFBDHN COc1ccnc(O[C@H]2CCCN([C@@H](C)Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC001254567331 1040805804 /nfs/dbraw/zinc/80/58/04/1040805804.db2.gz BPDGQZPBHQOSIN-HOCLYGCPSA-N 0 3 372.425 2.868 20 5 FFBDHN COC(=O)c1ccc2c(c1)CCN([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254594432 1040821336 /nfs/dbraw/zinc/82/13/36/1040821336.db2.gz QWBIMSMIGAYEMJ-LJQANCHMSA-N 0 3 352.390 2.907 20 5 FFBDHN COc1ccnc(O[C@@H]2CCN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)c1 ZINC001254610261 1040840027 /nfs/dbraw/zinc/84/00/27/1040840027.db2.gz ISFVKYTZZQJOTJ-FUHWJXTLSA-N 0 3 355.394 2.619 20 5 FFBDHN CCOc1ccc(Br)c(C(=O)OCC(C)[N+](=O)[O-])c1F ZINC001263501982 1042345785 /nfs/dbraw/zinc/34/57/85/1042345785.db2.gz HMGRXCZGJLYGDZ-SSDOTTSWSA-N 0 3 350.140 2.809 20 5 FFBDHN COc1c(F)nccc1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC001263534854 1042359654 /nfs/dbraw/zinc/35/96/54/1042359654.db2.gz LESKGJDKLOHHJC-RNCFNFMXSA-N 0 3 352.293 2.932 20 5 FFBDHN CC(C)(C(=O)NCCN1CCC(C)(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC001539537820 1070655110 /nfs/dbraw/zinc/65/51/10/1070655110.db2.gz XAHINRUYBMEZFJ-UHFFFAOYSA-N 0 3 351.422 2.860 20 5 FFBDHN CC(C)n1ncc2c1[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC001327990802 1048124893 /nfs/dbraw/zinc/12/48/93/1048124893.db2.gz AQVPZVQOVSJZPW-AEFFLSMTSA-N 0 3 374.441 2.779 20 5 FFBDHN COc1c(O)ccc(CNCCN2CCc3sccc3C2)c1[N+](=O)[O-] ZINC001334152780 1049278353 /nfs/dbraw/zinc/27/83/53/1049278353.db2.gz BNTSXOXIOQJMBG-UHFFFAOYSA-N 0 3 363.439 2.518 20 5 FFBDHN Cc1cc(N2CC[C@H]3[C@@H]2CCCN3CCO)c([N+](=O)[O-])cc1C(F)(F)F ZINC001307227608 1052272274 /nfs/dbraw/zinc/27/22/74/1052272274.db2.gz IVTJVYWUTSJWBV-KBPBESRZSA-N 0 3 373.375 2.957 20 5 FFBDHN Cc1ccc(OC(=O)C2CCN(Cc3ccccc3)C2=O)c([N+](=O)[O-])c1 ZINC001343550486 1052299922 /nfs/dbraw/zinc/29/99/22/1052299922.db2.gz OYQKTIIJPAPYLN-HNNXBMFYSA-N 0 3 354.362 2.857 20 5 FFBDHN CC1(C)Oc2ccsc2[C@H](NCCOc2ccc([N+](=O)[O-])cc2)[C@H]1O ZINC001307790714 1052350615 /nfs/dbraw/zinc/35/06/15/1052350615.db2.gz JLRABDDOGWUENR-GOEBONIOSA-N 0 3 364.423 2.898 20 5 FFBDHN COC(=O)c1ccc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])o1 ZINC001343838204 1052445745 /nfs/dbraw/zinc/44/57/45/1052445745.db2.gz OSIAHFAWWABAOM-YMTOWFKASA-N 0 3 351.286 2.769 20 5 FFBDHN COc1ccccc1-c1cc(CNC2CC(n3cc([N+](=O)[O-])cn3)C2)on1 ZINC001308881805 1052511127 /nfs/dbraw/zinc/51/11/27/1052511127.db2.gz WMYXPUUIGSPKPV-UHFFFAOYSA-N 0 3 369.381 2.948 20 5 FFBDHN CC(C)OCCN1CCC(NC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC001353394982 1056361035 /nfs/dbraw/zinc/36/10/35/1056361035.db2.gz KYYHCQRZDXSWKL-UHFFFAOYSA-N 0 3 368.409 2.745 20 5 FFBDHN C[C@@H]1CN(CCCCNc2ncnc3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000611709971 1056448133 /nfs/dbraw/zinc/44/81/33/1056448133.db2.gz XJLICQQMXPHXRU-ZIAGYGMSSA-N 0 3 359.430 2.839 20 5 FFBDHN C[C@@H]1CN(CCCCNc2ncnc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000611709970 1056448173 /nfs/dbraw/zinc/44/81/73/1056448173.db2.gz XJLICQQMXPHXRU-OKILXGFUSA-N 0 3 359.430 2.839 20 5 FFBDHN Nc1ccc(C(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1[N+](=O)[O-] ZINC001451880688 1059158582 /nfs/dbraw/zinc/15/85/82/1059158582.db2.gz PZUKTOGBOUGKQB-APWZRJJASA-N 0 3 366.421 2.524 20 5 FFBDHN CCOC(=O)[C@@H]1CC[C@@H]1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC001515769433 1059786180 /nfs/dbraw/zinc/78/61/80/1059786180.db2.gz VVLINAYNLMOSFL-OZTPJHRESA-N 0 3 353.346 2.665 20 5 FFBDHN O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1CN1CC[C@H](C2CCOCC2)C1 ZINC000848481751 1060117491 /nfs/dbraw/zinc/11/74/91/1060117491.db2.gz CQRJQHWOQYASOZ-PKOBYXMFSA-N 0 3 373.453 2.617 20 5 FFBDHN Cc1c(NC(=O)CCN2CC[C@H](c3ncccn3)C2)cccc1[N+](=O)[O-] ZINC001460847042 1061128067 /nfs/dbraw/zinc/12/80/67/1061128067.db2.gz HMZLELURAPUFKQ-AWEZNQCLSA-N 0 3 355.398 2.511 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCCN1Cc2ccccc2OCC1=O ZINC001461749497 1061397352 /nfs/dbraw/zinc/39/73/52/1061397352.db2.gz DHUPDSPSEBFYMV-UHFFFAOYSA-N 0 3 369.421 2.722 20 5 FFBDHN CC1(C)CCN(CCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC001440037279 1063253891 /nfs/dbraw/zinc/25/38/91/1063253891.db2.gz ZWTLXKISZMBCJZ-UHFFFAOYSA-N 0 3 360.458 2.657 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001465900089 1063256091 /nfs/dbraw/zinc/25/60/91/1063256091.db2.gz NFOFCXZTVPPUMS-ZBEGNZNMSA-N 0 3 354.410 2.543 20 5 FFBDHN Cc1c(NC(=O)N[C@H]2CCN(C)[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC001466389167 1063419959 /nfs/dbraw/zinc/41/99/59/1063419959.db2.gz QGYUZBMVUBEFFF-ONGXEEELSA-N 0 3 371.235 2.880 20 5 FFBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC001561350437 1076366651 /nfs/dbraw/zinc/36/66/51/1076366651.db2.gz KNHKNPNTDANAFQ-HZSPNIEDSA-N 0 3 369.487 2.548 20 5 FFBDHN Cc1cc(S(=O)(=O)N2CCC(C)(C)NC(C)(C)C2)c(C)cc1[N+](=O)[O-] ZINC001562028663 1076469739 /nfs/dbraw/zinc/46/97/39/1076469739.db2.gz KWXVAGXGUACIKF-UHFFFAOYSA-N 0 3 369.487 2.753 20 5 FFBDHN C[C@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+](C)C ZINC001589980796 1080919836 /nfs/dbraw/zinc/91/98/36/1080919836.db2.gz FEOQNZQPSFVWAK-SJCJKPOMSA-N 0 3 367.413 2.878 20 5 FFBDHN C[C@@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@@H](C)C1 ZINC000109291395 209302703 /nfs/dbraw/zinc/30/27/03/209302703.db2.gz OQDCHXWRUJVNLF-CABCVRRESA-N 0 3 371.441 2.631 20 5 FFBDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000067208416 249683297 /nfs/dbraw/zinc/68/32/97/249683297.db2.gz INKKWYBEMHZRRT-MRXNPFEDSA-N 0 3 370.365 2.636 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ccc(CN(CCO)CCCO)o2)c(Cl)c1 ZINC000093323743 250030072 /nfs/dbraw/zinc/03/00/72/250030072.db2.gz CUTKEQZZHUGZJV-UHFFFAOYSA-N 0 3 354.790 2.685 20 5 FFBDHN O=C(NC1CCN(C2CC2)CC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000132130285 251048702 /nfs/dbraw/zinc/04/87/02/251048702.db2.gz QCVYLLQQRFWUIW-UHFFFAOYSA-N 0 3 358.442 2.896 20 5 FFBDHN CN1CC[C@@H]2CCN(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000272474558 252047573 /nfs/dbraw/zinc/04/75/73/252047573.db2.gz IRGQZQWHUKLYML-CJNGLKHVSA-N 0 3 366.849 2.526 20 5 FFBDHN COc1cc(CN[C@H](CCO)C(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272514414 252056587 /nfs/dbraw/zinc/05/65/87/252056587.db2.gz XJSFYPBCIBTOII-GFCCVEGCSA-N 0 3 362.373 2.744 20 5 FFBDHN C[C@H](Cc1ccc(F)cc1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272914815 252163212 /nfs/dbraw/zinc/16/32/12/252163212.db2.gz HEXBBITZLNOVQV-CYBMUJFWSA-N 0 3 366.414 2.728 20 5 FFBDHN O=[N+]([O-])c1ccc(NCc2ccccc2CN2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000273177562 252240623 /nfs/dbraw/zinc/24/06/23/252240623.db2.gz LIEFVDFVCNBUNE-INIZCTEOSA-N 0 3 372.381 2.682 20 5 FFBDHN COc1ccccc1[C@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273397647 252298312 /nfs/dbraw/zinc/29/83/12/252298312.db2.gz VVFOXDGKIUVCOQ-HOTGVXAUSA-N 0 3 372.421 2.833 20 5 FFBDHN CCN1CCC(CCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000276338564 256091335 /nfs/dbraw/zinc/09/13/35/256091335.db2.gz SBCIDEJYRQGRAI-UHFFFAOYSA-N 0 3 355.460 2.532 20 5 FFBDHN C[C@H]1CC[C@@H](CN2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)O1 ZINC000276472997 256103264 /nfs/dbraw/zinc/10/32/64/256103264.db2.gz ZDRALMGMUIXFTC-ZFWWWQNUSA-N 0 3 359.430 2.551 20 5 FFBDHN C[C@@H]1CC[C@@H](CN2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)O1 ZINC000276472988 256103551 /nfs/dbraw/zinc/10/35/51/256103551.db2.gz ZDRALMGMUIXFTC-HIFRSBDPSA-N 0 3 359.430 2.551 20 5 FFBDHN Cc1ccc(NC(=O)NCCCN2CCCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000277342286 256187613 /nfs/dbraw/zinc/18/76/13/256187613.db2.gz DGNIKSPGRIZFME-AWEZNQCLSA-N 0 3 350.419 2.526 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000277439611 256198554 /nfs/dbraw/zinc/19/85/54/256198554.db2.gz LEWWFRHGLORLHK-OAHLLOKOSA-N 0 3 364.446 2.834 20 5 FFBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000278373173 256305014 /nfs/dbraw/zinc/30/50/14/256305014.db2.gz RURJZDISMAOKHV-ZDUSSCGKSA-N 0 3 369.849 2.787 20 5 FFBDHN O=c1[nH]c(N2CC[C@H]3[C@H](CCCN3C3CC3)C2)nc2ccc([N+](=O)[O-])cc21 ZINC000286290887 257029790 /nfs/dbraw/zinc/02/97/90/257029790.db2.gz RXPLBPGCTVARNC-PXAZEXFGSA-N 0 3 369.425 2.697 20 5 FFBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@H](CCO)c2ccc(Cl)cc2)c1 ZINC000286697286 257050313 /nfs/dbraw/zinc/05/03/13/257050313.db2.gz DOINYXRWCLQJFQ-SJORKVTESA-N 0 3 350.802 2.995 20 5 FFBDHN COc1cc(CNC[C@@]2(CO)C[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000289785424 257299165 /nfs/dbraw/zinc/29/91/65/257299165.db2.gz JUWRLOVZRDFBOU-OXQOHEQNSA-N 0 3 372.421 2.868 20 5 FFBDHN COc1ccc(C[C@H](CO)CNCc2ccc(C)c([N+](=O)[O-])c2)cc1O ZINC000289547083 257286759 /nfs/dbraw/zinc/28/67/59/257286759.db2.gz XHLNBCFHGLLYPM-INIZCTEOSA-N 0 3 360.410 2.558 20 5 FFBDHN Cc1cc(F)c(NC(=O)NCCCN2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000296901204 257764876 /nfs/dbraw/zinc/76/48/76/257764876.db2.gz XVSBIMODEPXZEK-CYBMUJFWSA-N 0 3 368.409 2.665 20 5 FFBDHN CCN1CCN(c2ccc(Nc3c([N+](=O)[O-])c(C)nn3C)c(C)c2)CC1 ZINC000301288580 258040059 /nfs/dbraw/zinc/04/00/59/258040059.db2.gz PGEKICKBLZPDIW-UHFFFAOYSA-N 0 3 358.446 2.831 20 5 FFBDHN Cc1c(CO)cc([N+](=O)[O-])c(N[C@H](C)CN2CCCCC2)c1[N+](=O)[O-] ZINC000301518259 258053571 /nfs/dbraw/zinc/05/35/71/258053571.db2.gz KMSPRQWCQXOTOZ-LLVKDONJSA-N 0 3 352.391 2.590 20 5 FFBDHN CN(CCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)Cc1ccc(F)cc1 ZINC000301692893 258063159 /nfs/dbraw/zinc/06/31/59/258063159.db2.gz OKQAQDPLEDWOML-UHFFFAOYSA-N 0 3 374.372 2.609 20 5 FFBDHN Cc1cc(N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)ncc1[N+](=O)[O-] ZINC000301719975 258065092 /nfs/dbraw/zinc/06/50/92/258065092.db2.gz MDEMIHVKTZXYHK-DLBZAZTESA-N 0 3 356.426 2.593 20 5 FFBDHN CNC(=O)c1ccc(N[C@H]2CCN(C)[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000301835354 258069935 /nfs/dbraw/zinc/06/99/35/258069935.db2.gz LCRKVZYVRVKOEX-FUHWJXTLSA-N 0 3 354.410 2.812 20 5 FFBDHN Cc1c(NC(=O)CCN2CC[C@H](C(C)(C)C)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000330703349 258168663 /nfs/dbraw/zinc/16/86/63/258168663.db2.gz JBJJVTWLFBESQT-YOEHRIQHSA-N 0 3 363.458 2.961 20 5 FFBDHN CC(C)c1n[nH]c(C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000331215234 258179884 /nfs/dbraw/zinc/17/98/84/258179884.db2.gz NXSVDUHZHZWMMB-GFCCVEGCSA-N 0 3 351.451 2.682 20 5 FFBDHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[C@@H](N2CCCCC2)C1 ZINC000332668083 258239582 /nfs/dbraw/zinc/23/95/82/258239582.db2.gz OTQGOGCOKPFLQD-GFCCVEGCSA-N 0 3 353.369 2.502 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000064960294 506245759 /nfs/dbraw/zinc/24/57/59/506245759.db2.gz DGBVHYYVFXXYEE-ZDUSSCGKSA-N 0 3 369.487 2.692 20 5 FFBDHN CNC(=O)c1ccc(NCc2ccc(OCCN(C)C)cc2)c([N+](=O)[O-])c1 ZINC000053573075 506408760 /nfs/dbraw/zinc/40/87/60/506408760.db2.gz BVMDTVVEVXARDF-UHFFFAOYSA-N 0 3 372.425 2.507 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNCCCO)cc1 ZINC000066067898 506419747 /nfs/dbraw/zinc/41/97/47/506419747.db2.gz MCQSUYBDUUXTKC-UHFFFAOYSA-N 0 3 352.394 2.920 20 5 FFBDHN Cc1noc(C2CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)n1 ZINC000053640273 506420174 /nfs/dbraw/zinc/42/01/74/506420174.db2.gz FWSXBNNHENLNLZ-UHFFFAOYSA-N 0 3 373.413 2.803 20 5 FFBDHN Cc1sc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc1[N+](=O)[O-] ZINC000053992862 506473776 /nfs/dbraw/zinc/47/37/76/506473776.db2.gz YAUBYKGAQSSCTD-UHFFFAOYSA-N 0 3 363.439 2.835 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NCC(C)(C)N1CCCCC1 ZINC000043126971 506703250 /nfs/dbraw/zinc/70/32/50/506703250.db2.gz BQWVAXRHKFGXFI-UHFFFAOYSA-N 0 3 350.419 2.989 20 5 FFBDHN CC(C)(C)CCN1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000067377836 506850149 /nfs/dbraw/zinc/85/01/49/506850149.db2.gz MNAKCVXFXJWANS-GOSISDBHSA-N 0 3 374.485 2.754 20 5 FFBDHN C[C@@H]1CN(C[C@@H]2CCCN2CCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000067387602 506856079 /nfs/dbraw/zinc/85/60/79/506856079.db2.gz BIKLOTAFLNMHLQ-JZXOWHBKSA-N 0 3 363.458 2.547 20 5 FFBDHN CC[N@H+](C)Cc1cccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000067716808 506988946 /nfs/dbraw/zinc/98/89/46/506988946.db2.gz LXYCDUGQGJIPBG-UHFFFAOYSA-N 0 3 363.439 2.525 20 5 FFBDHN CC[N@@H+](C)Cc1cccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000067716808 506988949 /nfs/dbraw/zinc/98/89/49/506988949.db2.gz LXYCDUGQGJIPBG-UHFFFAOYSA-N 0 3 363.439 2.525 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OCCN(C)C)cc2)c1 ZINC000067751543 506997426 /nfs/dbraw/zinc/99/74/26/506997426.db2.gz RMKQNQRTSXVCRD-UHFFFAOYSA-N 0 3 359.382 2.796 20 5 FFBDHN CN(C)[C@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000067787103 507009973 /nfs/dbraw/zinc/00/99/73/507009973.db2.gz DXPCVAPCFJAVEN-KRWDZBQOSA-N 0 3 371.437 2.653 20 5 FFBDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000067806196 507014029 /nfs/dbraw/zinc/01/40/29/507014029.db2.gz ZVXBHANBWNYIKO-QGZVFWFLSA-N 0 3 371.437 2.653 20 5 FFBDHN CN(C)CCOc1cccc(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])c1 ZINC000068130282 507122402 /nfs/dbraw/zinc/12/24/02/507122402.db2.gz PIWVFNBLJPDFNJ-UHFFFAOYSA-N 0 3 361.373 2.604 20 5 FFBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000068226377 507155659 /nfs/dbraw/zinc/15/56/59/507155659.db2.gz NLKCSASIIDEXIT-RDJZCZTQSA-N 0 3 368.437 2.958 20 5 FFBDHN CC(C)N1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000068800477 507328598 /nfs/dbraw/zinc/32/85/98/507328598.db2.gz IOVRRZLRWIKUTC-UHFFFAOYSA-N 0 3 360.458 2.751 20 5 FFBDHN COc1cc(OCC(=O)N(CCN(C)C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000058296739 507401822 /nfs/dbraw/zinc/40/18/22/507401822.db2.gz BTLZCWLQPGPVJM-UHFFFAOYSA-N 0 3 373.409 2.577 20 5 FFBDHN CCC[C@@H](C)NC(=O)C(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000048717170 507554827 /nfs/dbraw/zinc/55/48/27/507554827.db2.gz CVJXUJIKUNPDTI-DGCLKSJQSA-N 0 3 356.444 2.511 20 5 FFBDHN C[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCCC1 ZINC000051342881 507764204 /nfs/dbraw/zinc/76/42/04/507764204.db2.gz REXSRKOJVCQPIQ-GFCCVEGCSA-N 0 3 360.439 2.932 20 5 FFBDHN O=C(COc1ccc([N+](=O)[O-])cc1)NCCCN1CCc2ccccc2C1 ZINC000029837964 507792139 /nfs/dbraw/zinc/79/21/39/507792139.db2.gz VMCOORBXAQSMQU-UHFFFAOYSA-N 0 3 369.421 2.538 20 5 FFBDHN CN(C)[C@@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000072487676 507798830 /nfs/dbraw/zinc/79/88/30/507798830.db2.gz KSIVEHDLQUCWOZ-SFHVURJKSA-N 0 3 371.441 2.609 20 5 FFBDHN CN(C)CCOc1ccccc1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000089304308 507828360 /nfs/dbraw/zinc/82/83/60/507828360.db2.gz SFZKGCWUMZVNHG-UHFFFAOYSA-N 0 3 357.410 2.508 20 5 FFBDHN COc1ccc(C(=O)NCCN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000089514233 507844241 /nfs/dbraw/zinc/84/42/41/507844241.db2.gz LTIZSKFHAREFPP-AWEZNQCLSA-N 0 3 357.410 2.992 20 5 FFBDHN C[C@@H]1CCC[C@@](CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])(N(C)C)C1 ZINC000089619886 507850985 /nfs/dbraw/zinc/85/09/85/507850985.db2.gz CSLFUNYBPZPGJW-CXAGYDPISA-N 0 3 369.487 2.921 20 5 FFBDHN CCCCN1CCCC[C@H]1CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000078650318 507893619 /nfs/dbraw/zinc/89/36/19/507893619.db2.gz MLRSGEFOAGABNJ-ZDUSSCGKSA-N 0 3 359.430 2.898 20 5 FFBDHN C[C@H](NCc1ccc(C(=O)NCCN(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000090038818 507903461 /nfs/dbraw/zinc/90/34/61/507903461.db2.gz NJNPKBNXGPKTOR-HNNXBMFYSA-N 0 3 370.453 2.737 20 5 FFBDHN CCN(CC)[C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])c1ccco1 ZINC000078878201 507914375 /nfs/dbraw/zinc/91/43/75/507914375.db2.gz TXHAMFVSYLTFBY-MRXNPFEDSA-N 0 3 371.397 2.919 20 5 FFBDHN CCCCN1CCCC[C@H]1CNC(=O)c1[nH]nc(CCC)c1[N+](=O)[O-] ZINC000109621299 507971743 /nfs/dbraw/zinc/97/17/43/507971743.db2.gz SEDAQSDDNMSACT-ZDUSSCGKSA-N 0 3 351.451 2.655 20 5 FFBDHN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCC[C@@H](N2CCCC2)C1 ZINC000091453556 507986951 /nfs/dbraw/zinc/98/69/51/507986951.db2.gz OMOWVCRHOOMXOR-CYBMUJFWSA-N 0 3 365.405 2.975 20 5 FFBDHN Cc1cc(N(C)C2CCN(CCc3ccccn3)CC2)ncc1[N+](=O)[O-] ZINC000074745277 508051583 /nfs/dbraw/zinc/05/15/83/508051583.db2.gz SEPGPFPPSBMWNE-UHFFFAOYSA-N 0 3 355.442 2.837 20 5 FFBDHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000111050077 508066911 /nfs/dbraw/zinc/06/69/11/508066911.db2.gz MLMFFSKUKUWACM-SNVBAGLBSA-N 0 3 363.867 2.565 20 5 FFBDHN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[C@H]2CC[C@@H](C1)N2C ZINC000075061534 508080609 /nfs/dbraw/zinc/08/06/09/508080609.db2.gz XBWPRUDXGFEMRB-NEPJUHHUSA-N 0 3 351.378 2.584 20 5 FFBDHN O=C1c2ccccc2C(=O)N1CCCCNCc1csc([N+](=O)[O-])c1 ZINC000111394115 508095927 /nfs/dbraw/zinc/09/59/27/508095927.db2.gz WMNCPVDAEXXZHY-UHFFFAOYSA-N 0 3 359.407 2.822 20 5 FFBDHN C[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000111461199 508101327 /nfs/dbraw/zinc/10/13/27/508101327.db2.gz IHHFMERRNHIRLF-OAHLLOKOSA-N 0 3 356.426 2.915 20 5 FFBDHN COc1cc(CNCC2(C)COC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000112711883 508213879 /nfs/dbraw/zinc/21/38/79/508213879.db2.gz XJYLNAYKRWEJBZ-UHFFFAOYSA-N 0 3 364.320 2.671 20 5 FFBDHN CCN1CCN(C[C@H](C)CNc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000076921946 508262752 /nfs/dbraw/zinc/26/27/52/508262752.db2.gz WRJYOSMSJKEPSN-OAHLLOKOSA-N 0 3 357.458 2.829 20 5 FFBDHN CC(C)CN(C(=O)CCNc1ccccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000114143231 508295736 /nfs/dbraw/zinc/29/57/36/508295736.db2.gz LAMBDKPRFWQJML-UHFFFAOYSA-N 0 3 362.474 2.976 20 5 FFBDHN CCN1CCN(c2ccc(C(=O)NCc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000114173534 508297584 /nfs/dbraw/zinc/29/75/84/508297584.db2.gz QCMPQQIRVHLJLR-UHFFFAOYSA-N 0 3 368.437 2.667 20 5 FFBDHN Nc1c(C(=O)NC[C@H]2CCCN2Cc2ccccc2)cc(F)cc1[N+](=O)[O-] ZINC000114695019 508338266 /nfs/dbraw/zinc/33/82/66/508338266.db2.gz UUCJIICPBPUNGV-OAHLLOKOSA-N 0 3 372.400 2.711 20 5 FFBDHN CN(C)CCN(Cc1ccco1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000088507073 508373985 /nfs/dbraw/zinc/37/39/85/508373985.db2.gz UNFULCJMRRUZDJ-UHFFFAOYSA-N 0 3 360.414 2.504 20 5 FFBDHN CC1CCC(N2CCN(CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000115567621 508410448 /nfs/dbraw/zinc/41/04/48/508410448.db2.gz UDWHWPHPLVEBLV-UHFFFAOYSA-N 0 3 374.485 2.754 20 5 FFBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000122900549 508604121 /nfs/dbraw/zinc/60/41/21/508604121.db2.gz ZYZCYIQCLLDJGU-NSHDSACASA-N 0 3 370.247 2.771 20 5 FFBDHN Cc1cc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc([N+](=O)[O-])c1 ZINC000123120813 508640400 /nfs/dbraw/zinc/64/04/00/508640400.db2.gz RMZJAEBGIQEOHZ-UHFFFAOYSA-N 0 3 357.410 2.774 20 5 FFBDHN CCN1CCCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000118826182 508679653 /nfs/dbraw/zinc/67/96/53/508679653.db2.gz NMIXSKWVPMPJFB-LBPRGKRZSA-N 0 3 354.838 2.603 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000118958805 508695616 /nfs/dbraw/zinc/69/56/16/508695616.db2.gz ZSWZCAYWMOWPDA-YJBOKZPZSA-N 0 3 368.437 2.915 20 5 FFBDHN Nc1ccc(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)cc1[N+](=O)[O-] ZINC000140179241 508801072 /nfs/dbraw/zinc/80/10/72/508801072.db2.gz KKXPBZHBGLVALX-ZDUSSCGKSA-N 0 3 374.466 2.881 20 5 FFBDHN CC[C@H](NCc1ccnc(N2CCN(C)CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000159172631 508803470 /nfs/dbraw/zinc/80/34/70/508803470.db2.gz JBWYUADEZRALJY-IBGZPJMESA-N 0 3 369.469 2.983 20 5 FFBDHN CN(C)CCn1c2cc(NCc3ccc([N+](=O)[O-])cc3)ccc2oc1=O ZINC000124687746 508869215 /nfs/dbraw/zinc/86/92/15/508869215.db2.gz SRIJYOACVIAJAP-UHFFFAOYSA-N 0 3 356.382 2.676 20 5 FFBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H](O)c1ccc(F)cc1 ZINC000124828932 508891049 /nfs/dbraw/zinc/89/10/49/508891049.db2.gz XTXBBTQKNCESHO-SJKOYZFVSA-N 0 3 361.373 2.774 20 5 FFBDHN C[C@@H]1CCCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000159902252 508909415 /nfs/dbraw/zinc/90/94/15/508909415.db2.gz ODKSCWUKCGEVHN-LLVKDONJSA-N 0 3 370.247 2.819 20 5 FFBDHN CNC(=O)C(C)(C)CNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000120257414 508959446 /nfs/dbraw/zinc/95/94/46/508959446.db2.gz NIVFUPRXDJPTSI-UHFFFAOYSA-N 0 3 361.398 2.725 20 5 FFBDHN CCCN1CCC(N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)CC1 ZINC000132353256 509020352 /nfs/dbraw/zinc/02/03/52/509020352.db2.gz OGRUTFDQAOOYAD-UHFFFAOYSA-N 0 3 373.450 2.537 20 5 FFBDHN CC(C)(CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCCCC1 ZINC000160907503 509046532 /nfs/dbraw/zinc/04/65/32/509046532.db2.gz JXKCGKVLGMVQCZ-UHFFFAOYSA-N 0 3 371.441 2.775 20 5 FFBDHN C[C@@H]1CN(C2CCN(Cc3c(Cl)cccc3[N+](=O)[O-])CC2)CCO1 ZINC000163419983 509373922 /nfs/dbraw/zinc/37/39/22/509373922.db2.gz ZHEYENUVIQEZRU-CYBMUJFWSA-N 0 3 353.850 2.933 20 5 FFBDHN Cc1ccc(CN(CCN(C)C)C(=O)Cc2cccc([N+](=O)[O-])c2C)o1 ZINC000163542008 509389668 /nfs/dbraw/zinc/38/96/68/509389668.db2.gz WAETXLXAHJLLNY-UHFFFAOYSA-N 0 3 359.426 2.938 20 5 FFBDHN COc1cc(C(=O)N(CCN(C)C)Cc2ccco2)cc([N+](=O)[O-])c1C ZINC000189231746 509474100 /nfs/dbraw/zinc/47/41/00/509474100.db2.gz OPIJVJGHDIXGJZ-UHFFFAOYSA-N 0 3 361.398 2.709 20 5 FFBDHN Cc1cccc(CN(CCN(C)C)C(=O)c2cccc([N+](=O)[O-])c2N)c1 ZINC000176473236 509531958 /nfs/dbraw/zinc/53/19/58/509531958.db2.gz KHFBJKMNTZRCCE-UHFFFAOYSA-N 0 3 356.426 2.689 20 5 FFBDHN Cc1c(C(=O)N2CC[C@@H](N3CCCCC3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000264445392 509532678 /nfs/dbraw/zinc/53/26/78/509532678.db2.gz CFBJTYYZJFQUFM-CYBMUJFWSA-N 0 3 362.386 2.512 20 5 FFBDHN O=[N+]([O-])c1ccc(CN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000249035609 509578176 /nfs/dbraw/zinc/57/81/76/509578176.db2.gz SNHQXWXIHBPPGF-SUMWQHHRSA-N 0 3 360.414 2.952 20 5 FFBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000179707891 509584823 /nfs/dbraw/zinc/58/48/23/509584823.db2.gz HVJIEIPVTOIQKH-OAHLLOKOSA-N 0 3 356.426 2.643 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000249783702 509763057 /nfs/dbraw/zinc/76/30/57/509763057.db2.gz QVWFQQUIBIJMAR-KBPBESRZSA-N 0 3 364.446 2.523 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3CCS(=O)(=O)C3)s2)cc1 ZINC000237989641 509792279 /nfs/dbraw/zinc/79/22/79/509792279.db2.gz KWZFZJZBIWJTGP-GFCCVEGCSA-N 0 3 366.464 2.848 20 5 FFBDHN CN1CC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000180172529 509793462 /nfs/dbraw/zinc/79/34/62/509793462.db2.gz PHSFRAZEXPGHGA-MJGOQNOKSA-N 0 3 355.394 2.535 20 5 FFBDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000268336899 509875959 /nfs/dbraw/zinc/87/59/59/509875959.db2.gz GEQYWZQDEIRWSE-ZWNOBZJWSA-N 0 3 370.247 2.816 20 5 FFBDHN CCOc1ccc(NC(=O)CN(C)C2CCC(OC)CC2)c([N+](=O)[O-])c1 ZINC000265178856 509905238 /nfs/dbraw/zinc/90/52/38/509905238.db2.gz DJAJXWLJIXUMRE-UHFFFAOYSA-N 0 3 365.430 2.821 20 5 FFBDHN Cc1nccn1-c1ccc([C@H](C)NCCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000183685758 509927619 /nfs/dbraw/zinc/92/76/19/509927619.db2.gz SBLCIHAHPIOTJU-AWEZNQCLSA-N 0 3 367.409 2.601 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000177208005 509937008 /nfs/dbraw/zinc/93/70/08/509937008.db2.gz NWMUOXNEWGHTPX-UKRRQHHQSA-N 0 3 358.442 2.550 20 5 FFBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2Br)CCN1C ZINC000180571835 509992338 /nfs/dbraw/zinc/99/23/38/509992338.db2.gz IIQOVIONKJONOW-MNOVXSKESA-N 0 3 370.247 2.912 20 5 FFBDHN CN(C)C1(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000187018765 510009969 /nfs/dbraw/zinc/00/99/69/510009969.db2.gz ZVLMUPVGUPWOJR-UHFFFAOYSA-N 0 3 370.247 2.914 20 5 FFBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000245731903 510112815 /nfs/dbraw/zinc/11/28/15/510112815.db2.gz YXIPDVNOKWTSOC-CABCVRRESA-N 0 3 371.441 2.631 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCN(C[C@@H]2CCCO2)[C@H]2CCSC2)cc1 ZINC000245903415 510197904 /nfs/dbraw/zinc/19/79/04/510197904.db2.gz QGMQIWIDYIPIGW-RDJZCZTQSA-N 0 3 352.456 2.960 20 5 FFBDHN COc1cc(C[NH2+]CCc2nn(C)c3ccccc23)c([N+](=O)[O-])cc1[O-] ZINC000187393032 510239085 /nfs/dbraw/zinc/23/90/85/510239085.db2.gz MBMNZRORBFXLKX-UHFFFAOYSA-N 0 3 356.382 2.528 20 5 FFBDHN CN(Cc1ccccc1)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)C1CC1 ZINC000187463303 510280096 /nfs/dbraw/zinc/28/00/96/510280096.db2.gz SVBKINLVPCTFNJ-SFHVURJKSA-N 0 3 368.437 2.817 20 5 FFBDHN O=C(C[C@H]1CNCCO1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000269219364 510297241 /nfs/dbraw/zinc/29/72/41/510297241.db2.gz MQUVCNIRVULBOE-KRWDZBQOSA-N 0 3 357.366 2.704 20 5 FFBDHN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N)c(OCCN(C)C)c1 ZINC000184428893 510320290 /nfs/dbraw/zinc/32/02/90/510320290.db2.gz GHGXAMAXKOBXLK-UHFFFAOYSA-N 0 3 358.398 2.678 20 5 FFBDHN CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184462433 510336147 /nfs/dbraw/zinc/33/61/47/510336147.db2.gz PIRJCYSGQFUUQN-MRXNPFEDSA-N 0 3 368.437 2.771 20 5 FFBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)C[C@H]1CCCN(C)C1 ZINC000246172481 510338840 /nfs/dbraw/zinc/33/88/40/510338840.db2.gz PVZGBFMRTKXPRU-KBPBESRZSA-N 0 3 359.430 2.979 20 5 FFBDHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2cccnc2)cc1 ZINC000181323391 510356414 /nfs/dbraw/zinc/35/64/14/510356414.db2.gz JBTVCBADPPEYNY-KUHUBIRLSA-N 0 3 367.409 2.565 20 5 FFBDHN CCN(CCO)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000184544065 510381194 /nfs/dbraw/zinc/38/11/94/510381194.db2.gz MXMAUZKUIRBTPT-UHFFFAOYSA-N 0 3 367.833 2.912 20 5 FFBDHN CN(C)Cc1cccc(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000190869029 510384231 /nfs/dbraw/zinc/38/42/31/510384231.db2.gz DAOAKOQAGLZRKN-UHFFFAOYSA-N 0 3 370.409 2.952 20 5 FFBDHN CNC(=O)CC1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000175010489 510433260 /nfs/dbraw/zinc/43/32/60/510433260.db2.gz LMVHQBAIKHVOIQ-UHFFFAOYSA-N 0 3 372.425 2.640 20 5 FFBDHN CCOc1cc(NC(C)(C)CCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000184836054 510539118 /nfs/dbraw/zinc/53/91/18/510539118.db2.gz SPAUHGVVFTURAA-UHFFFAOYSA-N 0 3 350.463 2.822 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)CN1C1CC1 ZINC000184856948 510550648 /nfs/dbraw/zinc/55/06/48/510550648.db2.gz HUZIPDDPOCZUAB-VHSXEESVSA-N 0 3 368.231 2.712 20 5 FFBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246985627 510782195 /nfs/dbraw/zinc/78/21/95/510782195.db2.gz WCDXYMFMJJEDRK-RVKKMQEKSA-N 0 3 372.469 2.871 20 5 FFBDHN Cc1cc(CN(C)C)cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000270390246 510789342 /nfs/dbraw/zinc/78/93/42/510789342.db2.gz RLAMPTQRNFANLT-UHFFFAOYSA-N 0 3 371.393 2.988 20 5 FFBDHN Cc1ccc(OCCN(C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000182190543 510806107 /nfs/dbraw/zinc/80/61/07/510806107.db2.gz PIUPUZYXHHBYPI-MRXNPFEDSA-N 0 3 360.410 2.654 20 5 FFBDHN CCCO[C@@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000247181797 510849733 /nfs/dbraw/zinc/84/97/33/510849733.db2.gz PPTVIXQMGCUHAG-IAGOWNOFSA-N 0 3 352.431 2.616 20 5 FFBDHN CC[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(OC)c(OC)c1 ZINC000285518512 510939764 /nfs/dbraw/zinc/93/97/64/510939764.db2.gz RKFOSEXJKHZLFS-HNNXBMFYSA-N 0 3 361.398 2.515 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCCN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000277737113 510970871 /nfs/dbraw/zinc/97/08/71/510970871.db2.gz KLKWETBLMHHZSK-DOMZBBRYSA-N 0 3 362.348 2.999 20 5 FFBDHN CN1CCC[C@@]2(CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000294169298 510977354 /nfs/dbraw/zinc/97/73/54/510977354.db2.gz OLJSVFGAPIJWHB-LJQANCHMSA-N 0 3 363.433 2.956 20 5 FFBDHN CN1CCN(CC2(C)CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000364940335 511165967 /nfs/dbraw/zinc/16/59/67/511165967.db2.gz CXVBFJUYFDZQCF-UHFFFAOYSA-N 0 3 368.428 2.727 20 5 FFBDHN CCN1CC[C@@H](N(C)C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000294968330 511237752 /nfs/dbraw/zinc/23/77/52/511237752.db2.gz NBWUTBOXBWTPRN-RHSMWYFYSA-N 0 3 361.442 2.746 20 5 FFBDHN C[C@@H]1[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000291678544 511294192 /nfs/dbraw/zinc/29/41/92/511294192.db2.gz CCGRDFZDNIAUAR-CZUORRHYSA-N 0 3 354.410 2.570 20 5 FFBDHN CCN1CCN(C[C@@H](C)CNc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000295497821 511424836 /nfs/dbraw/zinc/42/48/36/511424836.db2.gz KNNRUIQHDAUEAW-HNNXBMFYSA-N 0 3 357.458 2.829 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C)[C@H](C)C2)cc1SC ZINC000334042579 511435202 /nfs/dbraw/zinc/43/52/02/511435202.db2.gz TXVGUWTTWBRVQL-MNOVXSKESA-N 0 3 353.444 2.538 20 5 FFBDHN C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCN(C2CCC2)C1 ZINC000292258535 511525373 /nfs/dbraw/zinc/52/53/73/511525373.db2.gz KQMRIAJAAJAVIT-CYBMUJFWSA-N 0 3 358.442 2.790 20 5 FFBDHN CC[C@@H](C)N1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000295935912 511560111 /nfs/dbraw/zinc/56/01/11/511560111.db2.gz GIEBRTRNCSSIMI-GFCCVEGCSA-N 0 3 354.838 2.603 20 5 FFBDHN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCCN(C(C)C)CC1 ZINC000296059069 511605009 /nfs/dbraw/zinc/60/50/09/511605009.db2.gz VRBVYKQUIONCKO-UHFFFAOYSA-N 0 3 358.446 2.794 20 5 FFBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@H](O)c3ccc(Cl)cc3)CC2)n1 ZINC000365819057 511667604 /nfs/dbraw/zinc/66/76/04/511667604.db2.gz IDRSAPOBECGGFB-HNNXBMFYSA-N 0 3 350.806 2.815 20 5 FFBDHN O=C(CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000296288941 511686325 /nfs/dbraw/zinc/68/63/25/511686325.db2.gz OZLQZZWCGURAOM-XZJROXQQSA-N 0 3 365.817 2.734 20 5 FFBDHN C[C@H](c1ccccc1)N1CCC(Nc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000301314226 511693757 /nfs/dbraw/zinc/69/37/57/511693757.db2.gz LEXVRKZCYBLABD-CYBMUJFWSA-N 0 3 369.425 2.726 20 5 FFBDHN CN(C)CC1(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCC1 ZINC000281188270 511753333 /nfs/dbraw/zinc/75/33/33/511753333.db2.gz ZJTNYCJLEXRANK-UHFFFAOYSA-N 0 3 356.220 2.571 20 5 FFBDHN CN1CCC[C@@]2(CCN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)C2)C1 ZINC000292892553 511761474 /nfs/dbraw/zinc/76/14/74/511761474.db2.gz VYZSUUSPDVQCKM-HXUWFJFHSA-N 0 3 372.469 2.753 20 5 FFBDHN Cc1cc(Cl)c(C(=O)NCCCN2CCCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000296731189 511873301 /nfs/dbraw/zinc/87/33/01/511873301.db2.gz NYYDYFASNCMQMP-ZDUSSCGKSA-N 0 3 369.849 2.787 20 5 FFBDHN CN(CCN(C)C1CC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000274570416 511877493 /nfs/dbraw/zinc/87/74/93/511877493.db2.gz MAKRPPBDRWTADA-UHFFFAOYSA-N 0 3 374.210 2.663 20 5 FFBDHN O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000366198522 511895816 /nfs/dbraw/zinc/89/58/16/511895816.db2.gz VFHPDRTWFUQDCD-MRXNPFEDSA-N 0 3 354.410 2.632 20 5 FFBDHN CC(C)c1n[nH]c(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000274699456 511913396 /nfs/dbraw/zinc/91/33/96/511913396.db2.gz NFYMDEHIAMSEQR-MLGOLLRUSA-N 0 3 359.430 2.863 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000275129603 512050318 /nfs/dbraw/zinc/05/03/18/512050318.db2.gz OJYMBBLIDJMHHV-UONOGXRCSA-N 0 3 369.874 2.900 20 5 FFBDHN O=C(NCC(F)(F)F)[C@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000275156919 512059342 /nfs/dbraw/zinc/05/93/42/512059342.db2.gz WJEVSIWTMMXQBD-LQPUYASZSA-N 0 3 357.332 2.608 20 5 FFBDHN C[C@@H]1CN(C[C@H]2CCCN2CCOc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000374028060 512630573 /nfs/dbraw/zinc/63/05/73/512630573.db2.gz VYVMGPPATCRFJP-BRWVUGGUSA-N 0 3 363.458 2.547 20 5 FFBDHN CO[C@](C)([C@@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000411970068 512894598 /nfs/dbraw/zinc/89/45/98/512894598.db2.gz MSBMQICXAJGTDS-QLJPJBMISA-N 0 3 355.822 2.980 20 5 FFBDHN CC(C)(O)CN1CCc2c(cccc2NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000374613206 512916873 /nfs/dbraw/zinc/91/68/73/512916873.db2.gz RHWRSIAGFVTSMQ-UHFFFAOYSA-N 0 3 369.421 2.976 20 5 FFBDHN CCn1nc(C)c([N+](=O)[O-])c1NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000397529128 512947437 /nfs/dbraw/zinc/94/74/37/512947437.db2.gz ZOYZBPFWRFXPBP-UHFFFAOYSA-N 0 3 373.457 2.559 20 5 FFBDHN O=C(CCN1CCC[C@@H](c2ccncn2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000372599285 512962398 /nfs/dbraw/zinc/96/23/98/512962398.db2.gz KFEUOGOFHWMIMT-CYBMUJFWSA-N 0 3 373.388 2.732 20 5 FFBDHN O=C(CNC1(C2CC2)CCOCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000368491311 512972743 /nfs/dbraw/zinc/97/27/43/512972743.db2.gz UAXKORRSRGXQHP-UHFFFAOYSA-N 0 3 353.806 2.736 20 5 FFBDHN C[C@@H]1CN(CCCCNc2nccc3c2cccc3[N+](=O)[O-])C[C@H](C)O1 ZINC000450373560 513165071 /nfs/dbraw/zinc/16/50/71/513165071.db2.gz CSHDRCBVOAJXMQ-GASCZTMLSA-N 0 3 358.442 2.866 20 5 FFBDHN O=[N+]([O-])c1cc(F)c(NC[C@@]2(O)CCN(Cc3ccccc3)C2)c(F)c1 ZINC000440594888 513360271 /nfs/dbraw/zinc/36/02/71/513360271.db2.gz CJICUMFDGQCPSS-SFHVURJKSA-N 0 3 363.364 2.922 20 5 FFBDHN COc1ccc([C@H](CNc2ncc([N+](=O)[O-])cc2F)N(C)C)cc1OC ZINC000413030768 513395171 /nfs/dbraw/zinc/39/51/71/513395171.db2.gz VRKGDUDLTRUULU-AWEZNQCLSA-N 0 3 364.377 2.861 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000440928372 513439244 /nfs/dbraw/zinc/43/92/44/513439244.db2.gz YIYQKTJDPIITIT-GVXVVHGQSA-N 0 3 367.833 2.757 20 5 FFBDHN CC(C)(CO)[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000429712571 513448133 /nfs/dbraw/zinc/44/81/33/513448133.db2.gz BZUICODRSDAQQM-PKOBYXMFSA-N 0 3 374.437 2.684 20 5 FFBDHN C[C@H](NC(=O)Nc1ccc2c(c1)CNCCO2)c1cccc([N+](=O)[O-])c1 ZINC000415966934 513504695 /nfs/dbraw/zinc/50/46/95/513504695.db2.gz CLYPMPATGMMROP-LBPRGKRZSA-N 0 3 356.382 2.960 20 5 FFBDHN CCNC(=O)c1ccc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447564779 513509405 /nfs/dbraw/zinc/50/94/05/513509405.db2.gz ZCNPQEKJSDOETJ-SJORKVTESA-N 0 3 371.441 2.815 20 5 FFBDHN Cc1c(NC(=O)NC[C@H]2CCCN2C)cc(Br)cc1[N+](=O)[O-] ZINC000435329467 513558035 /nfs/dbraw/zinc/55/80/35/513558035.db2.gz PQOOLYBUZURWFP-LLVKDONJSA-N 0 3 371.235 2.881 20 5 FFBDHN COc1cc(C(=O)N(C)C(C)(C)CN2CCCC2)c([N+](=O)[O-])cc1F ZINC000416111832 513575840 /nfs/dbraw/zinc/57/58/40/513575840.db2.gz VZANMFUIVNCZPN-UHFFFAOYSA-N 0 3 353.394 2.689 20 5 FFBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000418626922 513581541 /nfs/dbraw/zinc/58/15/41/513581541.db2.gz ADNKAHDKTVBPRF-LJQANCHMSA-N 0 3 368.437 2.666 20 5 FFBDHN CN(C(=O)[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000430334030 513625880 /nfs/dbraw/zinc/62/58/80/513625880.db2.gz TYAOSXBXIMSFJL-MRXNPFEDSA-N 0 3 369.421 2.959 20 5 FFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000416406201 513755250 /nfs/dbraw/zinc/75/52/50/513755250.db2.gz FCGKTBUNWDOOMI-CABCVRRESA-N 0 3 369.487 2.562 20 5 FFBDHN C[C@H](N[C@@H]1CCO[C@@H](c2ccccn2)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000419310270 513770887 /nfs/dbraw/zinc/77/08/87/513770887.db2.gz QSRUYMXFTGUZHX-JCKWVBRZSA-N 0 3 370.409 2.827 20 5 FFBDHN CN(C)CCOC1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000436404388 513847231 /nfs/dbraw/zinc/84/72/31/513847231.db2.gz LZNBBCPZVKIUNL-UHFFFAOYSA-N 0 3 362.352 2.556 20 5 FFBDHN Cc1c(NC(=O)[C@H](C)N[C@H]([C@@H](CO)C2CC2)C2CC2)cccc1[N+](=O)[O-] ZINC000451616636 513868445 /nfs/dbraw/zinc/86/84/45/513868445.db2.gz WBSBGKITOAFBFK-QITLCBANSA-N 0 3 361.442 2.617 20 5 FFBDHN CCCN1CCC(N(C)C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000448773843 513891690 /nfs/dbraw/zinc/89/16/90/513891690.db2.gz XCETYDBSQZDKHF-UHFFFAOYSA-N 0 3 361.442 2.891 20 5 FFBDHN COc1cc(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000448932284 513978018 /nfs/dbraw/zinc/97/80/18/513978018.db2.gz HSAWPQFBQBITMG-TXEJJXNPSA-N 0 3 353.394 2.735 20 5 FFBDHN CC(C)(C(=O)NCCNc1ccc([N+](=O)[O-])cc1)[C@H](N)c1ccccc1 ZINC000422933872 513981862 /nfs/dbraw/zinc/98/18/62/513981862.db2.gz IOYNWERPQFTBFL-QGZVFWFLSA-N 0 3 356.426 2.849 20 5 FFBDHN CCN1CCCC[C@H]1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431931626 514043527 /nfs/dbraw/zinc/04/35/27/514043527.db2.gz RDUQPNMRMNGWQF-ZDUSSCGKSA-N 0 3 370.247 2.962 20 5 FFBDHN O=C(CNC1(Cc2ccccc2)CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000451943531 514085646 /nfs/dbraw/zinc/08/56/46/514085646.db2.gz WGPCAVNHJIOKOS-UHFFFAOYSA-N 0 3 369.421 2.915 20 5 FFBDHN Cc1cc(OCC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000432197215 514123876 /nfs/dbraw/zinc/12/38/76/514123876.db2.gz WUGCKPYXLHYLQJ-FXAWDEMLSA-N 0 3 369.421 2.844 20 5 FFBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NC[C@H]1CS(=O)(=O)c2ccccc21 ZINC000449360933 514179338 /nfs/dbraw/zinc/17/93/38/514179338.db2.gz VYINOTBBCBSYPL-ZFWWWQNUSA-N 0 3 360.435 2.687 20 5 FFBDHN COC[C@@](C)(O)CCNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000449385211 514189650 /nfs/dbraw/zinc/18/96/50/514189650.db2.gz PNPZATSJHCNGOC-SFHVURJKSA-N 0 3 364.398 2.741 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2ccc(CN[C@@H]3CCCN(CCCO)C3)o2)c1 ZINC000449393200 514192788 /nfs/dbraw/zinc/19/27/88/514192788.db2.gz BQSPDDJUNGDIEC-MRXNPFEDSA-N 0 3 359.426 2.791 20 5 FFBDHN COc1cc(C(=O)Nc2ccc3c(c2)CNCCO3)cc([N+](=O)[O-])c1C ZINC000423651481 514194623 /nfs/dbraw/zinc/19/46/23/514194623.db2.gz OQLCCFPPRXWUSP-UHFFFAOYSA-N 0 3 357.366 2.646 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H]1CCCS(=O)(=O)C1)CCCC2 ZINC000417331611 514298312 /nfs/dbraw/zinc/29/83/12/514298312.db2.gz MOWWACYZSMBJAO-CXAGYDPISA-N 0 3 352.456 2.777 20 5 FFBDHN C[C@H](CN1CCCCC1)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000427906049 514344089 /nfs/dbraw/zinc/34/40/89/514344089.db2.gz RCXJRCBPSBCNQI-CQSZACIVSA-N 0 3 372.425 2.512 20 5 FFBDHN C[C@@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCCC[C@@H]1C ZINC000444850053 514350538 /nfs/dbraw/zinc/35/05/38/514350538.db2.gz NXVSPXIIPWBEMQ-STQMWFEESA-N 0 3 374.445 2.533 20 5 FFBDHN CCN1CC[C@@H](N(C)C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000449973932 514449156 /nfs/dbraw/zinc/44/91/56/514449156.db2.gz SYSMDXLAEWFQEE-GDBMZVCRSA-N 0 3 361.442 2.889 20 5 FFBDHN COc1cc(C(=O)NC[C@H]2CCCCN2CC(C)C)c([N+](=O)[O-])cc1F ZINC000450192873 514534046 /nfs/dbraw/zinc/53/40/46/514534046.db2.gz LKGRTLUGCTYTNU-CYBMUJFWSA-N 0 3 367.421 2.983 20 5 FFBDHN COc1c(C(=O)N[C@H](CN(C)C)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000488912054 514630805 /nfs/dbraw/zinc/63/08/05/514630805.db2.gz NEHOGCUODMRQAK-OAHLLOKOSA-N 0 3 361.373 2.775 20 5 FFBDHN CC[C@@H](C)N1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC)CC1 ZINC000453457363 514651789 /nfs/dbraw/zinc/65/17/89/514651789.db2.gz ALKBJAPZFAYHLB-CQSZACIVSA-N 0 3 358.446 2.794 20 5 FFBDHN Cc1cc(NCCc2cn3c(n2)SCC3)c2cc([N+](=O)[O-])ccc2n1 ZINC000466497733 514664385 /nfs/dbraw/zinc/66/43/85/514664385.db2.gz UNWGJFCPTMLNAP-UHFFFAOYSA-N 0 3 355.423 2.830 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCCC[C@H]1OC(F)F ZINC000502580214 514705151 /nfs/dbraw/zinc/70/51/51/514705151.db2.gz SHZWZUNRGNGSHN-DGCLKSJQSA-N 0 3 373.356 2.682 20 5 FFBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NCCN(C)Cc1ccc(F)cc1 ZINC000484826025 514807508 /nfs/dbraw/zinc/80/75/08/514807508.db2.gz AMAUHEDYTXLGEO-UHFFFAOYSA-N 0 3 360.389 2.637 20 5 FFBDHN COc1c(C(=O)NC[C@H]2CCCN2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000476060505 514903779 /nfs/dbraw/zinc/90/37/79/514903779.db2.gz FCLDASRVJYXQIC-MRXNPFEDSA-N 0 3 369.421 2.998 20 5 FFBDHN CSCC[C@H](N[C@@H](C)CCc1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000489955815 515045996 /nfs/dbraw/zinc/04/59/96/515045996.db2.gz LTCCWXNTUDEMRP-ZFWWWQNUSA-N 0 3 353.488 2.715 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462491877 515083659 /nfs/dbraw/zinc/08/36/59/515083659.db2.gz SQHTYXHIMIPMHF-RHSMWYFYSA-N 0 3 368.437 2.885 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000467709059 515088006 /nfs/dbraw/zinc/08/80/06/515088006.db2.gz PCGGWMPECNXEMH-MJVIPROJSA-N 0 3 367.833 2.614 20 5 FFBDHN Cc1c(CNC(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000490204019 515140033 /nfs/dbraw/zinc/14/00/33/515140033.db2.gz SKPSJCBKKVNGSV-PMUMKWKESA-N 0 3 360.458 2.775 20 5 FFBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000462768682 515232553 /nfs/dbraw/zinc/23/25/53/515232553.db2.gz QJMOFZDPLLLEKH-HYVNUMGLSA-N 0 3 365.499 2.668 20 5 FFBDHN COc1c(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000477128427 515341181 /nfs/dbraw/zinc/34/11/81/515341181.db2.gz PYVMFWVUMMGMFQ-INIZCTEOSA-N 0 3 369.421 2.855 20 5 FFBDHN CC[C@@H]1CCCCN1CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000499698809 515416975 /nfs/dbraw/zinc/41/69/75/515416975.db2.gz YCSPJMHZKBJWQG-OAHLLOKOSA-N 0 3 371.441 2.775 20 5 FFBDHN CN1C[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@@H](c2ccccc2)C1 ZINC000481793545 515469990 /nfs/dbraw/zinc/46/99/90/515469990.db2.gz KKWMTEZKDDGUMM-IEBWSBKVSA-N 0 3 364.405 2.904 20 5 FFBDHN CN(C)CCOc1cccc(NC(=O)CNc2ccccc2[N+](=O)[O-])c1 ZINC000500103262 515590735 /nfs/dbraw/zinc/59/07/35/515590735.db2.gz BXPSEMSYUFIKDA-UHFFFAOYSA-N 0 3 358.398 2.586 20 5 FFBDHN COc1ccc(C(=O)Nc2cccc(OCCN(C)C)c2)cc1[N+](=O)[O-] ZINC000500293196 515658444 /nfs/dbraw/zinc/65/84/44/515658444.db2.gz KGOBZDSYHZYIAG-UHFFFAOYSA-N 0 3 359.382 2.796 20 5 FFBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000505857073 515698665 /nfs/dbraw/zinc/69/86/65/515698665.db2.gz NQPKRAIWSCZVEE-WDEREUQCSA-N 0 3 374.363 2.624 20 5 FFBDHN C[C@@H]1[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000494040583 515719341 /nfs/dbraw/zinc/71/93/41/515719341.db2.gz YDJCFHMSDKABAH-BEFAXECRSA-N 0 3 369.421 2.753 20 5 FFBDHN C[C@@H]1[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000494061265 515723473 /nfs/dbraw/zinc/72/34/73/515723473.db2.gz VKMFQDBXLXJQJW-NVXWUHKLSA-N 0 3 368.437 2.786 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](CO)c1ccc(OC)cc1 ZINC000459732620 515776895 /nfs/dbraw/zinc/77/68/95/515776895.db2.gz JGQODWZAGJGBKU-MRXNPFEDSA-N 0 3 360.410 2.868 20 5 FFBDHN CO[C@@H]1C[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000459740689 515781446 /nfs/dbraw/zinc/78/14/46/515781446.db2.gz BNRAASGHTFALPQ-UONOGXRCSA-N 0 3 353.806 2.734 20 5 FFBDHN CN(CCC(=O)N1CCOc2ccccc21)CCc1ccccc1[N+](=O)[O-] ZINC000511142001 515803247 /nfs/dbraw/zinc/80/32/47/515803247.db2.gz YDRHQXVAGPLFAH-UHFFFAOYSA-N 0 3 369.421 2.885 20 5 FFBDHN COc1ccccc1[C@H]1[C@@H](N)CCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000457367654 515830986 /nfs/dbraw/zinc/83/09/86/515830986.db2.gz XAHHJXYKXYPRBB-WMZOPIPTSA-N 0 3 355.394 2.908 20 5 FFBDHN COc1cc(CNC[C@@](C)(O)C(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000494667026 515916985 /nfs/dbraw/zinc/91/69/85/515916985.db2.gz RRZFVHMDRAICEI-MRXNPFEDSA-N 0 3 362.373 2.744 20 5 FFBDHN CN1CCC[C@H]1CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501080024 515970048 /nfs/dbraw/zinc/97/00/48/515970048.db2.gz BPFWFSSPSJYFCE-NSHDSACASA-N 0 3 357.208 2.573 20 5 FFBDHN COC(=O)COc1ccc(CN[C@@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000474357561 516008286 /nfs/dbraw/zinc/00/82/86/516008286.db2.gz QFLPFPKUBBEGBV-MRXNPFEDSA-N 0 3 356.378 2.924 20 5 FFBDHN Cn1c(C(=O)N2CCCN(CCCc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000507106571 516091431 /nfs/dbraw/zinc/09/14/31/516091431.db2.gz WZZRYTQVBXJTKN-UHFFFAOYSA-N 0 3 370.453 2.714 20 5 FFBDHN CC(C)c1ccc(C(=O)NCCCN2CCCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000470106795 516122097 /nfs/dbraw/zinc/12/20/97/516122097.db2.gz VYFDZSPCLWNXIX-HNNXBMFYSA-N 0 3 363.458 2.949 20 5 FFBDHN CC(C)(C)[C@H]1C[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000488568134 516262515 /nfs/dbraw/zinc/26/25/15/516262515.db2.gz ARRKJVLKJPZELF-SWLSCSKDSA-N 0 3 372.512 2.878 20 5 FFBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000507618707 516264601 /nfs/dbraw/zinc/26/46/01/516264601.db2.gz SXERDXXWNYOCIL-WBVHZDCISA-N 0 3 369.421 2.925 20 5 FFBDHN CCCN(CCN1CCCC1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000512474344 516290856 /nfs/dbraw/zinc/29/08/56/516290856.db2.gz JPRHMBAWWGCRTQ-UHFFFAOYSA-N 0 3 368.865 2.995 20 5 FFBDHN C[C@H]1C[C@H]1N1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488714514 516291703 /nfs/dbraw/zinc/29/17/03/516291703.db2.gz NCEXXZOOIOFYEJ-QWQRMKEZSA-N 0 3 372.469 2.654 20 5 FFBDHN C[C@@H](NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000484135246 516302733 /nfs/dbraw/zinc/30/27/33/516302733.db2.gz QXUMMAZSEFIAAK-UZLBHIALSA-N 0 3 355.438 2.882 20 5 FFBDHN C[C@H](NC[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000484135244 516302795 /nfs/dbraw/zinc/30/27/95/516302795.db2.gz QXUMMAZSEFIAAK-OXJNMPFZSA-N 0 3 355.438 2.882 20 5 FFBDHN CN(C)CCN(Cc1ccccn1)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000557644624 516355418 /nfs/dbraw/zinc/35/54/18/516355418.db2.gz SUFIZGJXBCRHQJ-UHFFFAOYSA-N 0 3 358.427 2.563 20 5 FFBDHN CN(c1ccccc1)c1ccc(CNC[C@H](O)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000522962502 516361694 /nfs/dbraw/zinc/36/16/94/516361694.db2.gz HIEZYVBSAVADLM-JXFKEZNVSA-N 0 3 371.437 2.850 20 5 FFBDHN C[C@H](N[C@H]1CCN(C)[C@H]1c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000550678860 516380385 /nfs/dbraw/zinc/38/03/85/516380385.db2.gz WPNORCQKDHCOHC-JVPBZIDWSA-N 0 3 368.437 2.957 20 5 FFBDHN CCCN1CCC[C@H]1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000557733308 516410147 /nfs/dbraw/zinc/41/01/47/516410147.db2.gz IKTWCCXERRGLKY-ZDUSSCGKSA-N 0 3 370.247 2.962 20 5 FFBDHN C[C@H](c1ccccc1)N1CC[C@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000561153615 516412414 /nfs/dbraw/zinc/41/24/14/516412414.db2.gz FPRUCWBJWZQGDK-HIFRSBDPSA-N 0 3 354.410 2.941 20 5 FFBDHN CC[C@H]1CN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C[C@H](C)S1(=O)=O ZINC000557751242 516419702 /nfs/dbraw/zinc/41/97/02/516419702.db2.gz QURJNVNDZGXWRU-JSGCOSHPSA-N 0 3 363.439 2.853 20 5 FFBDHN CN(CCN1CCN(c2ccccc2)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000523445280 516473810 /nfs/dbraw/zinc/47/38/10/516473810.db2.gz CGFFXLPNJBJNIJ-UHFFFAOYSA-N 0 3 354.454 2.849 20 5 FFBDHN Cc1nc(CCN(C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)no1 ZINC000513216211 516528306 /nfs/dbraw/zinc/52/83/06/516528306.db2.gz YNYAGGZCSCRTAD-UHFFFAOYSA-N 0 3 357.370 2.658 20 5 FFBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000558024817 516555704 /nfs/dbraw/zinc/55/57/04/516555704.db2.gz HGBIIFBWBIBQFB-OFQRWUPVSA-N 0 3 361.442 2.796 20 5 FFBDHN CCc1nncn1CCNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000547789710 516565674 /nfs/dbraw/zinc/56/56/74/516565674.db2.gz XRFHPZUXLGYQST-UHFFFAOYSA-N 0 3 371.397 2.807 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](CC(C)C)C(=O)NCCN(C)C ZINC000540747237 516695155 /nfs/dbraw/zinc/69/51/55/516695155.db2.gz NCLFURBGNLQEHR-YJBOKZPZSA-N 0 3 364.490 2.646 20 5 FFBDHN COc1ccc(-c2ccc(CNCC3(C(N)=O)CCCC3)o2)c([N+](=O)[O-])c1 ZINC000540808747 516720985 /nfs/dbraw/zinc/72/09/85/516720985.db2.gz FHWPLBRDVOMQCK-UHFFFAOYSA-N 0 3 373.409 2.999 20 5 FFBDHN Cc1c(Br)c(N2CCC[C@@H]3CN(C)CC[C@H]32)ncc1[N+](=O)[O-] ZINC000544395003 516740050 /nfs/dbraw/zinc/74/00/50/516740050.db2.gz SXENLPYTDSYSAG-VXGBXAGGSA-N 0 3 369.263 2.981 20 5 FFBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@@H](C)C1 ZINC000561749739 516748229 /nfs/dbraw/zinc/74/82/29/516748229.db2.gz ZARHAHARDYIDOX-PMUMKWKESA-N 0 3 368.437 2.945 20 5 FFBDHN CC[C@H](COC)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000558485770 516772918 /nfs/dbraw/zinc/77/29/18/516772918.db2.gz KBKWKSSFEWCCND-LLVKDONJSA-N 0 3 364.183 2.714 20 5 FFBDHN O=C(CCNC[C@H](c1ccco1)N1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000558573333 516815640 /nfs/dbraw/zinc/81/56/40/516815640.db2.gz ATOOMCRKYMYADO-QGZVFWFLSA-N 0 3 372.425 2.943 20 5 FFBDHN Cc1cc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000555222033 516837658 /nfs/dbraw/zinc/83/76/58/516837658.db2.gz KBSAYOWNKQAKKH-HNNXBMFYSA-N 0 3 350.438 2.647 20 5 FFBDHN CN(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)c1ccc(Cl)cc1 ZINC000555229539 516841294 /nfs/dbraw/zinc/84/12/94/516841294.db2.gz LIPILJPMLLHNSJ-ZDUSSCGKSA-N 0 3 350.806 2.619 20 5 FFBDHN CC(C)C[C@H](Nc1ccc2ncccc2c1[N+](=O)[O-])C(=O)NCCN(C)C ZINC000551732380 516846595 /nfs/dbraw/zinc/84/65/95/516846595.db2.gz IDYIROFLCKJIOK-KRWDZBQOSA-N 0 3 373.457 2.647 20 5 FFBDHN CC(C)[C@H]1CCCC[C@@H]1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536858060 516956911 /nfs/dbraw/zinc/95/69/11/516956911.db2.gz OHQFBAURSZPADK-CABCVRRESA-N 0 3 369.487 2.678 20 5 FFBDHN CCN(CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000514635237 516973012 /nfs/dbraw/zinc/97/30/12/516973012.db2.gz NICQECAXWYXYAV-ZDUSSCGKSA-N 0 3 365.430 2.821 20 5 FFBDHN COc1ccc(OCCN(Cc2ccccc2)C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000525274435 516989488 /nfs/dbraw/zinc/98/94/88/516989488.db2.gz KBORMWSIPOZHLJ-HNNXBMFYSA-N 0 3 360.410 2.865 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CCN(CC)[C@@H](C)C1 ZINC000525385639 517025037 /nfs/dbraw/zinc/02/50/37/517025037.db2.gz FCQCQYPGIBKAQG-ZFWWWQNUSA-N 0 3 369.487 2.651 20 5 FFBDHN COc1cc(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000525560307 517075604 /nfs/dbraw/zinc/07/56/04/517075604.db2.gz NVINIKZMKHEPLM-QWHCGFSZSA-N 0 3 365.430 2.605 20 5 FFBDHN O=[N+]([O-])c1cccc2ncnc(N3CC[C@H](OCCN4CCCCC4)C3)c21 ZINC000541575774 517119778 /nfs/dbraw/zinc/11/97/78/517119778.db2.gz APLHYHLIMZXMRX-HNNXBMFYSA-N 0 3 371.441 2.619 20 5 FFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N1CCCC1 ZINC000559572293 517321024 /nfs/dbraw/zinc/32/10/24/517321024.db2.gz ATYGEDVOLPMKLK-JTQLQIEISA-N 0 3 370.247 2.880 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@H]3CCc4ccccc4C3)CC2)cn1 ZINC000541985657 517324697 /nfs/dbraw/zinc/32/46/97/517324697.db2.gz GXUKGFDUBQWLDG-INIZCTEOSA-N 0 3 352.438 2.917 20 5 FFBDHN COc1cc(CN[C@H]2CCC[C@]2(C)CO)c([N+](=O)[O-])cc1OC(F)F ZINC000515392898 517332999 /nfs/dbraw/zinc/33/29/99/517332999.db2.gz DOXYKIWCIIKPFF-GOEBONIOSA-N 0 3 360.357 2.846 20 5 FFBDHN COc1ccc(COC[C@H](O)CN[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000538279067 517538694 /nfs/dbraw/zinc/53/86/94/517538694.db2.gz ITTKLLJXGVNKKD-GOEBONIOSA-N 0 3 360.410 2.832 20 5 FFBDHN CN(c1cccc(C(N)=O)c1[N+](=O)[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000553155109 517548351 /nfs/dbraw/zinc/54/83/51/517548351.db2.gz YGJGBOQPTQKWQA-INIZCTEOSA-N 0 3 368.437 2.795 20 5 FFBDHN COCCO[C@@H]1CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000549411215 517551102 /nfs/dbraw/zinc/55/11/02/517551102.db2.gz ZJGZMEILGREZDS-GOSISDBHSA-N 0 3 374.441 2.623 20 5 FFBDHN COc1ccc([C@H](CN(C)C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000560249319 517656963 /nfs/dbraw/zinc/65/69/63/517656963.db2.gz KUYNNABZTDAIBZ-KRWDZBQOSA-N 0 3 361.373 2.775 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC[C@H](C)N2CCCCC2)c1 ZINC000542756885 517719437 /nfs/dbraw/zinc/71/94/37/517719437.db2.gz IIRIPRVWTMXRIJ-AWEZNQCLSA-N 0 3 369.487 2.754 20 5 FFBDHN CC[C@H](N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000539045565 517895673 /nfs/dbraw/zinc/89/56/73/517895673.db2.gz BDLWUDIWHXTGTA-LQJRIPTKSA-N 0 3 363.336 2.603 20 5 FFBDHN C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)N(C)Cc1ccccc1 ZINC000521955519 517917271 /nfs/dbraw/zinc/91/72/71/517917271.db2.gz LALPOWXRCMIEMM-CYBMUJFWSA-N 0 3 371.393 2.574 20 5 FFBDHN COc1cc(-c2noc(-c3cc([N+](=O)[O-])c[n-]3)n2)ccc1OCC[NH+](C)C ZINC000546983276 517946107 /nfs/dbraw/zinc/94/61/07/517946107.db2.gz PGRYYGNLHUENCM-UHFFFAOYSA-N 0 3 373.369 2.589 20 5 FFBDHN COc1cc(-c2noc(-c3cc([N+](=O)[O-])c[nH]3)n2)ccc1OCCN(C)C ZINC000546983276 517946120 /nfs/dbraw/zinc/94/61/20/517946120.db2.gz PGRYYGNLHUENCM-UHFFFAOYSA-N 0 3 373.369 2.589 20 5 FFBDHN C[C@@H]1C[C@@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])c2ccccc2O1 ZINC000563805358 518132598 /nfs/dbraw/zinc/13/25/98/518132598.db2.gz FEJXJRORJIIJCJ-IJEWVQPXSA-N 0 3 358.394 2.836 20 5 FFBDHN CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H](OCCN2CCCCC2)C1 ZINC000584372298 518305903 /nfs/dbraw/zinc/30/59/03/518305903.db2.gz QZGWEPVEOHDPJZ-KRWDZBQOSA-N 0 3 361.442 2.879 20 5 FFBDHN Cc1ccc(-c2cccc(CNC[C@@H](O)Cn3cc([N+](=O)[O-])cn3)c2)cc1 ZINC000578740442 518351426 /nfs/dbraw/zinc/35/14/26/518351426.db2.gz GYGXDYABWOJMNZ-HXUWFJFHSA-N 0 3 366.421 2.917 20 5 FFBDHN NC(=O)[C@H](NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(F)cc1 ZINC000570198175 518489891 /nfs/dbraw/zinc/48/98/91/518489891.db2.gz CKVNGKWSDJHVBQ-QGZVFWFLSA-N 0 3 356.357 2.574 20 5 FFBDHN CC1(C)CCN(CC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000570292217 518536112 /nfs/dbraw/zinc/53/61/12/518536112.db2.gz HKYZGTFZUOIMMX-UHFFFAOYSA-N 0 3 361.442 2.697 20 5 FFBDHN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc3c2CCNC3)cc1OC ZINC000576508553 518626329 /nfs/dbraw/zinc/62/63/29/518626329.db2.gz LJQNELGZRTZZLM-UHFFFAOYSA-N 0 3 371.393 2.900 20 5 FFBDHN CN(CCCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)Cc1ccccc1 ZINC000587029852 518675562 /nfs/dbraw/zinc/67/55/62/518675562.db2.gz UDLBKWUPEHIRDP-UHFFFAOYSA-N 0 3 367.409 2.600 20 5 FFBDHN CC(C)(C)N1CCCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000576934714 518834503 /nfs/dbraw/zinc/83/45/03/518834503.db2.gz UWHVOMKFWVGLKT-UHFFFAOYSA-N 0 3 371.441 2.931 20 5 FFBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2cnn(CC(F)(F)F)c2)n1 ZINC000577051046 518891392 /nfs/dbraw/zinc/89/13/92/518891392.db2.gz GRMDYJCYDFBRGH-CHWSQXEVSA-N 0 3 372.351 2.824 20 5 FFBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2cnn(CC(F)(F)F)c2)n1 ZINC000577051047 518891893 /nfs/dbraw/zinc/89/18/93/518891893.db2.gz GRMDYJCYDFBRGH-OLZOCXBDSA-N 0 3 372.351 2.824 20 5 FFBDHN CSC1(CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CCN(C)CC1 ZINC000582758590 518905377 /nfs/dbraw/zinc/90/53/77/518905377.db2.gz XYAZSRVZWOIUAB-CYBMUJFWSA-N 0 3 366.487 2.782 20 5 FFBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@]1(N(C)C)CCSC1 ZINC000580176337 519044662 /nfs/dbraw/zinc/04/46/62/519044662.db2.gz PAMOZVAUXSKJBB-MRXNPFEDSA-N 0 3 353.444 2.539 20 5 FFBDHN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCCCN1C1CCCC1 ZINC000574367889 519119669 /nfs/dbraw/zinc/11/96/69/519119669.db2.gz WSQLEIACLJBLLS-KRWDZBQOSA-N 0 3 371.441 2.884 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000589997202 519123916 /nfs/dbraw/zinc/12/39/16/519123916.db2.gz ZRPGRSVMHTVMLT-KRWDZBQOSA-N 0 3 355.394 2.722 20 5 FFBDHN COc1ccc(-c2ccc(CN3CCNC[C@@H]3C(F)F)o2)c([N+](=O)[O-])c1 ZINC000583204409 519128566 /nfs/dbraw/zinc/12/85/66/519128566.db2.gz KIPCRQVORKNERH-OAHLLOKOSA-N 0 3 367.352 2.902 20 5 FFBDHN COc1cccc2c1CC[C@@H]2NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566115810 519311100 /nfs/dbraw/zinc/31/11/00/519311100.db2.gz SITWLDYSXKJYKD-CJNGLKHVSA-N 0 3 358.394 2.620 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCNC[C@H](O)COc2ccc(Cl)cc2)cc1 ZINC000574869099 519375180 /nfs/dbraw/zinc/37/51/80/519375180.db2.gz NJOCLKVDNOGYJB-HNNXBMFYSA-N 0 3 366.801 2.657 20 5 FFBDHN O=C(CCNCc1ccnc(N2CCCC2)c1)Nc1ccccc1[N+](=O)[O-] ZINC000569095410 519375305 /nfs/dbraw/zinc/37/53/05/519375305.db2.gz RAHFZXJLUXRIIS-UHFFFAOYSA-N 0 3 369.425 2.708 20 5 FFBDHN O=C(N[C@H]1CCN(CC2CC2)C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590806559 519381302 /nfs/dbraw/zinc/38/13/02/519381302.db2.gz RMMICKYRKJIOBK-MSOLQXFVSA-N 0 3 372.469 2.968 20 5 FFBDHN CCN1CCC[C@H]1CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590926381 519437297 /nfs/dbraw/zinc/43/72/97/519437297.db2.gz OGIPBPXYRCMRHV-AEFFLSMTSA-N 0 3 360.458 2.968 20 5 FFBDHN CCc1ccccc1[C@@H](N)CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000591361037 519608545 /nfs/dbraw/zinc/60/85/45/519608545.db2.gz XYTCIYGBEYXANX-SFHVURJKSA-N 0 3 368.437 2.925 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000569582710 519620415 /nfs/dbraw/zinc/62/04/15/519620415.db2.gz ZFAWMKNTLHHLNO-HXUWFJFHSA-N 0 3 369.421 2.998 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H](c3cccnc3)C2)c1 ZINC000602855825 519930074 /nfs/dbraw/zinc/93/00/74/519930074.db2.gz PQYMUTUFHUMHHG-WMZOPIPTSA-N 0 3 357.410 2.609 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2CCc3ccccc3C2)cc1 ZINC000591741809 520019211 /nfs/dbraw/zinc/01/92/11/520019211.db2.gz SDUORTTZIVKTQN-OAHLLOKOSA-N 0 3 374.462 2.763 20 5 FFBDHN CC(C)n1ncc2c1C[C@@H](NCc1cc3c(cc1[N+](=O)[O-])OCCO3)CC2 ZINC000616484880 520036243 /nfs/dbraw/zinc/03/62/43/520036243.db2.gz WSNNQLRXUYMDOW-HNNXBMFYSA-N 0 3 372.425 2.791 20 5 FFBDHN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCCN(c2ccncc2)CC1 ZINC000603083956 520070244 /nfs/dbraw/zinc/07/02/44/520070244.db2.gz QEFJEIMCMUVNSN-UHFFFAOYSA-N 0 3 354.410 2.661 20 5 FFBDHN Cc1ccc(CC2CN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000594732007 520122018 /nfs/dbraw/zinc/12/20/18/520122018.db2.gz JDZWVSUNWNKOBR-LJQANCHMSA-N 0 3 356.422 2.817 20 5 FFBDHN O=C(NC[C@@H]1CCN1C1CCCCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000600230074 520140147 /nfs/dbraw/zinc/14/01/47/520140147.db2.gz ZBWYDDPDQLPYNF-AWEZNQCLSA-N 0 3 357.414 2.608 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](n2ccnc2)C1 ZINC000609157510 520214262 /nfs/dbraw/zinc/21/42/62/520214262.db2.gz ZZEHTUJUMJMONH-INIZCTEOSA-N 0 3 357.414 2.765 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000595038296 520265636 /nfs/dbraw/zinc/26/56/36/520265636.db2.gz IUQMBTNGEUWONI-SUNYJGFJSA-N 0 3 364.442 2.822 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](CO)[C@@H]1CCC[C@@H](OC)C1 ZINC000595061410 520274163 /nfs/dbraw/zinc/27/41/63/520274163.db2.gz KTWDIADVLYUMQW-TZDHZFECSA-N 0 3 352.431 2.820 20 5 FFBDHN O=C(NC[C@@H]1CCN1C1CCCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000600472722 520279571 /nfs/dbraw/zinc/27/95/71/520279571.db2.gz OWTCZYKQBKZPCM-KRWDZBQOSA-N 0 3 369.425 2.527 20 5 FFBDHN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@H](N2CCCCC2)C1 ZINC000609348058 520289781 /nfs/dbraw/zinc/28/97/81/520289781.db2.gz KWPNXVSOTWPDJH-KRWDZBQOSA-N 0 3 372.469 2.895 20 5 FFBDHN CCCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OCC)[C@@H]1CCN(C)C1 ZINC000592258742 520295116 /nfs/dbraw/zinc/29/51/16/520295116.db2.gz UHHTWOIJFGNXAP-CQSZACIVSA-N 0 3 350.419 2.942 20 5 FFBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C(C)(C)C)C2)cc1OC ZINC000597922530 520324437 /nfs/dbraw/zinc/32/44/37/520324437.db2.gz FQCPGQCPJKYOHV-LBPRGKRZSA-N 0 3 365.430 2.605 20 5 FFBDHN C[C@@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCCC[C@@H]1C ZINC000609547795 520353675 /nfs/dbraw/zinc/35/36/75/520353675.db2.gz JIPGANJFJUELJK-STQMWFEESA-N 0 3 372.425 2.841 20 5 FFBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000609549646 520355483 /nfs/dbraw/zinc/35/54/83/520355483.db2.gz GBCDLUBNQNFCCC-BETUJISGSA-N 0 3 372.425 2.841 20 5 FFBDHN N[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1c1cccc(F)c1 ZINC000595226182 520361136 /nfs/dbraw/zinc/36/11/36/520361136.db2.gz RBNMMFDFGCBGPB-QZTJIDSGSA-N 0 3 357.385 2.620 20 5 FFBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000595235165 520365421 /nfs/dbraw/zinc/36/54/21/520365421.db2.gz ROQPLASEQMCGLO-GOSISDBHSA-N 0 3 370.409 2.620 20 5 FFBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000595257187 520377572 /nfs/dbraw/zinc/37/75/72/520377572.db2.gz IEPQYXSNYMXWRR-KRWDZBQOSA-N 0 3 371.393 2.907 20 5 FFBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H]2CCCS(=O)(=O)C2)s1 ZINC000609851535 520457377 /nfs/dbraw/zinc/45/73/77/520457377.db2.gz WVVTVAKVCGSLPY-LBPRGKRZSA-N 0 3 366.464 2.990 20 5 FFBDHN CC(=O)N1CCC(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000610252322 520603805 /nfs/dbraw/zinc/60/38/05/520603805.db2.gz UGNWAHIFWOONLS-UHFFFAOYSA-N 0 3 360.439 2.819 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1C(F)(F)F ZINC000610468604 520703827 /nfs/dbraw/zinc/70/38/27/520703827.db2.gz QRUVKDOCUCENSM-HUUCEWRRSA-N 0 3 359.348 2.649 20 5 FFBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCC[C@H]1Cc1ccccc1F ZINC000593080087 520729453 /nfs/dbraw/zinc/72/94/53/520729453.db2.gz DUAHSXIPFNYOMW-INIZCTEOSA-N 0 3 359.401 2.993 20 5 FFBDHN Cc1ccc(S(=O)(=O)N(C)C2CCN(C(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000598597709 520733999 /nfs/dbraw/zinc/73/39/99/520733999.db2.gz UHXBOUKHSBIMLE-UHFFFAOYSA-N 0 3 369.487 2.705 20 5 FFBDHN CN(C)C[C@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])c2ccccc2O1 ZINC000593090184 520737549 /nfs/dbraw/zinc/73/75/49/520737549.db2.gz SIKJSTFDHOUWFV-HNNXBMFYSA-N 0 3 373.384 2.632 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000610816238 520853797 /nfs/dbraw/zinc/85/37/97/520853797.db2.gz DWNGGWFKWYHZKW-GJZGRUSLSA-N 0 3 368.437 2.932 20 5 FFBDHN COC1CC[NH+](C2(CNc3cc[n-]c(=O)c3[N+](=O)[O-])CCCC2)CC1 ZINC000596123003 520925304 /nfs/dbraw/zinc/92/53/04/520925304.db2.gz QZPHLGVGPHSQBE-UHFFFAOYSA-N 0 3 350.419 2.531 20 5 FFBDHN COC(=O)c1c(Cl)c(N(C)[C@@H]2CCN(C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000596150989 520940026 /nfs/dbraw/zinc/94/00/26/520940026.db2.gz GWDIBOVKSOTSEH-GHMZBOCLSA-N 0 3 355.822 2.811 20 5 FFBDHN CN1CCC(n2cc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cn2)CC1 ZINC000601772007 520944368 /nfs/dbraw/zinc/94/43/68/520944368.db2.gz HUEXVFGJGSBJHK-UHFFFAOYSA-N 0 3 363.805 2.964 20 5 FFBDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593414341 520978408 /nfs/dbraw/zinc/97/84/08/520978408.db2.gz LYCSMBPKZDXTCA-QGZVFWFLSA-N 0 3 359.401 2.566 20 5 FFBDHN O=[N+]([O-])c1c2ccncc2ccc1N1CCCN(C[C@H]2CCCO2)CC1 ZINC000599020012 520984130 /nfs/dbraw/zinc/98/41/30/520984130.db2.gz LRFKYXSGBIELGZ-MRXNPFEDSA-N 0 3 356.426 2.834 20 5 FFBDHN CN1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)[C@@H](Cc2ccccc2)C1 ZINC000593504850 521035938 /nfs/dbraw/zinc/03/59/38/521035938.db2.gz RTIQELCCAYCXJR-KRWDZBQOSA-N 0 3 363.421 2.901 20 5 FFBDHN Cc1cc(NC[C@H]2CC(=O)N(C(C)(C)C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000596518794 521111959 /nfs/dbraw/zinc/11/19/59/521111959.db2.gz FNKXMMMNBHPJGI-CYBMUJFWSA-N 0 3 356.426 2.932 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000611370589 521123007 /nfs/dbraw/zinc/12/30/07/521123007.db2.gz KQBZHIMMTBZIEK-GASCZTMLSA-N 0 3 363.458 2.929 20 5 FFBDHN CN(c1ccccc1)c1ccc(CNCC[C@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000593670962 521142453 /nfs/dbraw/zinc/14/24/53/521142453.db2.gz NNPDMWGJRPAMKG-FQEVSTJZSA-N 0 3 371.437 2.994 20 5 FFBDHN CN(CCN1CCCCC1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000593884670 521272959 /nfs/dbraw/zinc/27/29/59/521272959.db2.gz WHGKHNITHQAEDH-UHFFFAOYSA-N 0 3 370.247 2.915 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](c2ccncc2)C1 ZINC000593987386 521331752 /nfs/dbraw/zinc/33/17/52/521331752.db2.gz OWIDHWXYSDHKGX-HNNXBMFYSA-N 0 3 370.409 2.817 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](CC(=O)OC(C)C)C(C)C ZINC000594042555 521368556 /nfs/dbraw/zinc/36/85/56/521368556.db2.gz VIXACTAKTSJJEL-AWEZNQCLSA-N 0 3 365.430 2.798 20 5 FFBDHN CN(C)[C@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1 ZINC000602503311 521383813 /nfs/dbraw/zinc/38/38/13/521383813.db2.gz LURCQKWQMYZGRE-INIZCTEOSA-N 0 3 354.410 2.999 20 5 FFBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1Nc1cnn(CCN(C)C)c1 ZINC000619153446 521419402 /nfs/dbraw/zinc/41/94/02/521419402.db2.gz RKBSGFMLDNDBOZ-UHFFFAOYSA-N 0 3 367.793 2.537 20 5 FFBDHN CS(=O)(=O)CCCCCNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602619652 521440249 /nfs/dbraw/zinc/44/02/49/521440249.db2.gz IPGKGDBYVXAAMC-UHFFFAOYSA-N 0 3 368.377 2.918 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCC(N[C@H]3COCc4ccccc43)CC2)cn1 ZINC000602694827 521484045 /nfs/dbraw/zinc/48/40/45/521484045.db2.gz KKWJNCXIYZUJEX-SFHVURJKSA-N 0 3 354.410 2.820 20 5 FFBDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])c4ccncc34)[C@@H]2C1 ZINC000599832687 521501732 /nfs/dbraw/zinc/50/17/32/521501732.db2.gz IGUABJJKGAPLAH-SJKOYZFVSA-N 0 3 355.398 2.701 20 5 FFBDHN C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824598562 608462840 /nfs/dbraw/zinc/46/28/40/608462840.db2.gz GKQFXCRQWMBVFJ-LBPRGKRZSA-N 0 3 354.370 2.505 20 5 FFBDHN C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824598562 608462842 /nfs/dbraw/zinc/46/28/42/608462842.db2.gz GKQFXCRQWMBVFJ-LBPRGKRZSA-N 0 3 354.370 2.505 20 5 FFBDHN CC[C@H]([NH2+]CCOc1cccc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000825141419 608552006 /nfs/dbraw/zinc/55/20/06/608552006.db2.gz OHLZKQQMOUOWTA-KRWDZBQOSA-N 0 3 368.397 2.895 20 5 FFBDHN C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824656554 609314501 /nfs/dbraw/zinc/31/45/01/609314501.db2.gz LPPUMYCNBDWLQN-QWHCGFSZSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000824656554 609314503 /nfs/dbraw/zinc/31/45/03/609314503.db2.gz LPPUMYCNBDWLQN-QWHCGFSZSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824656554 609314505 /nfs/dbraw/zinc/31/45/05/609314505.db2.gz LPPUMYCNBDWLQN-QWHCGFSZSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000824656554 609314508 /nfs/dbraw/zinc/31/45/08/609314508.db2.gz LPPUMYCNBDWLQN-QWHCGFSZSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@H]1CCCN1CCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000744345146 735350509 /nfs/dbraw/zinc/35/05/09/735350509.db2.gz LALFSDRVCBIEGK-LBPRGKRZSA-N 0 3 360.439 2.932 20 5 FFBDHN CS[C@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000779351975 738457582 /nfs/dbraw/zinc/45/75/82/738457582.db2.gz XFJAALOPDCZVBJ-OLZOCXBDSA-N 0 3 358.851 2.758 20 5 FFBDHN O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1cccc([N+](=O)[O-])c1Cl ZINC000859356299 730451709 /nfs/dbraw/zinc/45/17/09/730451709.db2.gz NPFIXYYDMJUHRU-CYBMUJFWSA-N 0 3 367.833 2.621 20 5 FFBDHN CCN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000861892960 730651033 /nfs/dbraw/zinc/65/10/33/730651033.db2.gz ZJRCICLSWLWGLZ-UHFFFAOYSA-N 0 3 357.813 2.873 20 5 FFBDHN Cc1cc(S(=O)(=O)[N-]C2CC[NH+](C(C)(C)C)CC2)c([N+](=O)[O-])s1 ZINC000866551740 731073455 /nfs/dbraw/zinc/07/34/55/731073455.db2.gz CJIJARZMAOYAIY-UHFFFAOYSA-N 0 3 361.489 2.506 20 5 FFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000866854646 731109104 /nfs/dbraw/zinc/10/91/04/731109104.db2.gz JGCVQWGVOUOELP-CHWSQXEVSA-N 0 3 373.450 2.536 20 5 FFBDHN COc1cnc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c(F)c1 ZINC000870454424 731516432 /nfs/dbraw/zinc/51/64/32/731516432.db2.gz KPDJTCUWNOTPHG-RFAUZJTJSA-N 0 3 352.293 2.932 20 5 FFBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1COC2(CCOCC2)O1 ZINC000872058526 731724887 /nfs/dbraw/zinc/72/48/87/731724887.db2.gz VMKDCBJPEABOPW-OCCSQVGLSA-N 0 3 368.455 2.889 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@H]2CCCN3C)cc1SC ZINC000874835768 732105470 /nfs/dbraw/zinc/10/54/70/732105470.db2.gz ADXAQSOGIOANTC-QWHCGFSZSA-N 0 3 365.455 2.634 20 5 FFBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@H](O)c1cc(Br)no1 ZINC000878566167 732555400 /nfs/dbraw/zinc/55/54/00/732555400.db2.gz UAGUEQKUUABRCZ-LBPRGKRZSA-N 0 3 370.203 2.553 20 5 FFBDHN O=C(NC[C@H]1CCN1C1CCOCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000927645662 738765241 /nfs/dbraw/zinc/76/52/41/738765241.db2.gz PBQMBTAPKYUONC-CYBMUJFWSA-N 0 3 368.821 2.623 20 5 FFBDHN COc1c([O-])ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)c1[N+](=O)[O-] ZINC000893277500 734679187 /nfs/dbraw/zinc/67/91/87/734679187.db2.gz YZAHZECLQDDSIR-IFUGULHKSA-N 0 3 356.469 2.778 20 5 FFBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCC[C@H]1C ZINC000783920731 738849092 /nfs/dbraw/zinc/84/90/92/738849092.db2.gz OFRDRCCWNXIIQA-CYBMUJFWSA-N 0 3 367.471 2.547 20 5 FFBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000894048515 734792959 /nfs/dbraw/zinc/79/29/59/734792959.db2.gz ZGGTVGPRGYJEQO-HUUCEWRRSA-N 0 3 366.849 2.669 20 5 FFBDHN O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000733157717 734794287 /nfs/dbraw/zinc/79/42/87/734794287.db2.gz CXOZSFLEWNGRBP-CQSZACIVSA-N 0 3 367.833 2.621 20 5 FFBDHN CC(C)[C@H](N)c1cn(Cc2cc([N+](=O)[O-])ccc2Br)nn1 ZINC000900595290 735665869 /nfs/dbraw/zinc/66/58/69/735665869.db2.gz DPSPMPQVCCMUBR-ZDUSSCGKSA-N 0 3 354.208 2.653 20 5 FFBDHN CS[C@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000901230431 735758922 /nfs/dbraw/zinc/75/89/22/735758922.db2.gz PMBDAKDRSIOKIQ-RYUDHWBXSA-N 0 3 361.826 2.505 20 5 FFBDHN CCN(C[C@@H]1CCOC1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000764197669 737000811 /nfs/dbraw/zinc/00/08/11/737000811.db2.gz PQEPPNYUUJSXAO-NEPJUHHUSA-N 0 3 355.822 2.934 20 5 FFBDHN O=[N+]([O-])c1ccc(Cl)cc1CN[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000769802956 737568288 /nfs/dbraw/zinc/56/82/88/737568288.db2.gz XJANLXFJBJVWNM-RDJZCZTQSA-N 0 3 353.850 2.981 20 5 FFBDHN COC(=O)CC1(NCc2ccc(Br)c([N+](=O)[O-])c2)CCC1 ZINC000777441826 738289619 /nfs/dbraw/zinc/28/96/19/738289619.db2.gz ZPMGEQUDDWXEFH-UHFFFAOYSA-N 0 3 357.204 2.933 20 5 FFBDHN CN1CCC(NC(=S)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000789359104 739341931 /nfs/dbraw/zinc/34/19/31/739341931.db2.gz PMIZNUZOMYMCIR-UHFFFAOYSA-N 0 3 373.276 2.738 20 5 FFBDHN CC(C)CN(CCN(C)C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790895543 739509968 /nfs/dbraw/zinc/50/99/68/739509968.db2.gz VPWOEWLQBJUDFS-UHFFFAOYSA-N 0 3 359.829 2.976 20 5 FFBDHN CNC(=O)OC[C@H]1CCCCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000805825238 741014390 /nfs/dbraw/zinc/01/43/90/741014390.db2.gz OIVUCQFZEBBSBL-OAHLLOKOSA-N 0 3 351.403 2.574 20 5 FFBDHN COCC[C@@H](Cc1cccc(Br)c1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813105785 741677603 /nfs/dbraw/zinc/67/76/03/741677603.db2.gz UNUYDPSHOPCENL-AAEUAGOBSA-N 0 3 374.231 2.853 20 5 FFBDHN COc1ccc(CN[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000824644948 743121287 /nfs/dbraw/zinc/12/12/87/743121287.db2.gz VEKTXCPZZDLVJQ-NEPJUHHUSA-N 0 3 353.419 2.995 20 5 FFBDHN COC(=O)[C@@H]1CCC[C@@H]1N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000830991005 745463217 /nfs/dbraw/zinc/46/32/17/745463217.db2.gz PUMKLDSRKKNVSZ-NDMJEZRESA-N 0 3 369.805 2.507 20 5 FFBDHN CO[C@@H]1C[C@@H](N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC000831334454 745516673 /nfs/dbraw/zinc/51/66/73/745516673.db2.gz WHVFPDBVGDNLEX-CUOATXAZSA-N 0 3 355.822 2.978 20 5 FFBDHN COC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000831669606 745563787 /nfs/dbraw/zinc/56/37/87/745563787.db2.gz FLXRHPHQVSNZPD-YPMHNXCESA-N 0 3 369.805 2.508 20 5 FFBDHN CC(COC(=O)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)[N+](=O)[O-] ZINC000835453781 746017391 /nfs/dbraw/zinc/01/73/91/746017391.db2.gz GLQAMQPBAWRWBA-XHDPSFHLSA-N 0 3 361.316 2.863 20 5 FFBDHN CC(C)CCC(=O)NCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845874039 748341752 /nfs/dbraw/zinc/34/17/52/748341752.db2.gz HBBBIAUGMABCPZ-YVEFUNNKSA-N 0 3 354.378 2.628 20 5 FFBDHN CC([C@@H](OC(=O)CNC(=O)CC(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845875891 748341978 /nfs/dbraw/zinc/34/19/78/748341978.db2.gz NZUQVFDAIWZKNB-BDJLRTHQSA-N 0 3 354.378 2.628 20 5 FFBDHN COCc1ncsc1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845881488 748344046 /nfs/dbraw/zinc/34/40/46/748344046.db2.gz LHZIHUZVWZXUOZ-NOZJJQNGSA-N 0 3 354.359 2.992 20 5 FFBDHN O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@@H](N2CCOCC2)CC1 ZINC000848929395 749036485 /nfs/dbraw/zinc/03/64/85/749036485.db2.gz DLEDGIZASKHVEG-MRXNPFEDSA-N 0 3 353.850 2.935 20 5 FFBDHN COCCCN(C(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000891030289 961647245 /nfs/dbraw/zinc/64/72/45/961647245.db2.gz RBQICUSAJBLSOI-UHFFFAOYSA-N 0 3 363.458 2.785 20 5 FFBDHN Cc1c(CN[C@@H](C)Cn2ncc3ccccc3c2=O)cccc1[N+](=O)[O-] ZINC000873097094 1013385266 /nfs/dbraw/zinc/38/52/66/1013385266.db2.gz GNAVNGUPBAFALZ-ZDUSSCGKSA-N 0 3 352.394 2.791 20 5 FFBDHN Cc1c(C(=O)NCCN2CCC[C@@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000126245578 1014431220 /nfs/dbraw/zinc/43/12/20/1014431220.db2.gz WLOIEUPIRRVJOR-LLVKDONJSA-N 0 3 364.402 2.582 20 5 FFBDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC001212034743 981463695 /nfs/dbraw/zinc/46/36/95/981463695.db2.gz CORDLYQZMUXCHL-CYBMUJFWSA-N 0 3 357.476 2.610 20 5 FFBDHN CCN1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910296443 981902854 /nfs/dbraw/zinc/90/28/54/981902854.db2.gz MXOPPDIBNKYPIX-HNNXBMFYSA-N 0 3 360.458 2.751 20 5 FFBDHN O=C(c1cc2ccccc2c2cccnc12)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000673514242 988433007 /nfs/dbraw/zinc/43/30/07/988433007.db2.gz LVZDMHZMZZYRKR-SJORKVTESA-N 0 3 361.445 2.669 20 5 FFBDHN CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000920767001 990917306 /nfs/dbraw/zinc/91/73/06/990917306.db2.gz CZZNBPIVJBVZKT-CQSZACIVSA-N 0 3 356.386 2.512 20 5 FFBDHN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)OCC(C)[N+](=O)[O-] ZINC000813108106 995624210 /nfs/dbraw/zinc/62/42/10/995624210.db2.gz VEOCVEXCSFKAHZ-GFCCVEGCSA-N 0 3 354.366 2.940 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000823981539 996772263 /nfs/dbraw/zinc/77/22/63/996772263.db2.gz ZLFFQTLOWCSMEM-CJNGLKHVSA-N 0 3 369.425 2.962 20 5 FFBDHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823990008 996773043 /nfs/dbraw/zinc/77/30/43/996773043.db2.gz GAUQQLSNMNVWAT-OALUTQOASA-N 0 3 369.421 2.582 20 5 FFBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1cc([N+](=O)[O-])cn1C ZINC000824415867 996948190 /nfs/dbraw/zinc/94/81/90/996948190.db2.gz KUCZCSNEEFIHMB-DOTOQJQBSA-N 0 3 354.410 2.690 20 5 FFBDHN CN(C)CCN(CCc1ccccc1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000844333692 997791687 /nfs/dbraw/zinc/79/16/87/997791687.db2.gz PPZFOXSWGNXGFL-UHFFFAOYSA-N 0 3 373.428 2.909 20 5 FFBDHN CC([C@H](OC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845875907 998676922 /nfs/dbraw/zinc/67/69/22/998676922.db2.gz OCNZVDIXKHOFHZ-WQGACYEGSA-N 0 3 366.389 2.722 20 5 FFBDHN CC([C@H](OC(=O)CCCn1ccccc1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845874731 998677136 /nfs/dbraw/zinc/67/71/36/998677136.db2.gz ILWKPIVHGMJPCE-ACJLOTCBSA-N 0 3 362.357 2.717 20 5 FFBDHN COC(=O)c1ccc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])n1C ZINC000845883021 998678397 /nfs/dbraw/zinc/67/83/97/998678397.db2.gz QWEXRIWZRVDYGY-ZUZCIYMTSA-N 0 3 364.329 2.514 20 5 FFBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)C1 ZINC001169025136 1000018147 /nfs/dbraw/zinc/01/81/47/1000018147.db2.gz XUGAKPVNMMPPLI-UJWQCDCRSA-N 0 3 352.475 2.870 20 5 FFBDHN CCn1c2ccccc2nc1N1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169055343 1000018899 /nfs/dbraw/zinc/01/88/99/1000018899.db2.gz PSLBVGOXRRPZHC-HZPDHXFCSA-N 0 3 357.458 2.624 20 5 FFBDHN NCc1ccc2c(n1)N(c1ncnc3cc(F)c([N+](=O)[O-])cc31)CCC2 ZINC001169585027 1000062655 /nfs/dbraw/zinc/06/26/55/1000062655.db2.gz XVRSVELYOYPHAM-UHFFFAOYSA-N 0 3 354.345 2.615 20 5 FFBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1cccc2c1OCCO2 ZINC000772982560 1000913578 /nfs/dbraw/zinc/91/35/78/1000913578.db2.gz JPOBRSUPWVKNCQ-CYBMUJFWSA-N 0 3 371.393 2.873 20 5 FFBDHN CCOC(=O)c1cc(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)on1 ZINC001183407032 1002257788 /nfs/dbraw/zinc/25/77/88/1002257788.db2.gz CXKHGZCMHAVRQT-UHFFFAOYSA-N 0 3 374.397 2.518 20 5 FFBDHN COC(=O)C[C@H]1CCCN([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170352781 1003121800 /nfs/dbraw/zinc/12/18/00/1003121800.db2.gz QCYBNLMULHDCTR-UONOGXRCSA-N 0 3 350.415 2.810 20 5 FFBDHN COCCCCN1CCN([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170355486 1003122691 /nfs/dbraw/zinc/12/26/91/1003122691.db2.gz GQBXMCBSTYIUIZ-INIZCTEOSA-N 0 3 365.474 2.579 20 5 FFBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H](Cn2ccnc2)c2ccccc2)c1 ZINC001197265473 1004147428 /nfs/dbraw/zinc/14/74/28/1004147428.db2.gz SJEKDHVXCOSTDL-OALUTQOASA-N 0 3 352.394 2.856 20 5 FFBDHN COC(=O)N1CCC[C@@H]([C@H](C)NCc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000775819787 1004485053 /nfs/dbraw/zinc/48/50/53/1004485053.db2.gz QSYLQFCYWVUOMW-NWDGAFQWSA-N 0 3 369.393 2.699 20 5 FFBDHN CN(Cc1ccc(C(=O)NC2CC2)cc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776278933 1005345369 /nfs/dbraw/zinc/34/53/69/1005345369.db2.gz VFSVQELXXUFVSB-IBGZPJMESA-N 0 3 369.421 2.652 20 5 FFBDHN C[C@H](NCCNC(=O)c1c(F)cccc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815592851 1006702225 /nfs/dbraw/zinc/70/22/25/1006702225.db2.gz UVKJZDTUIBIEOW-JTQLQIEISA-N 0 3 364.352 2.536 20 5 FFBDHN Cc1cc(C)n(-c2ccc(CNC[C@H](O)c3cccc([N+](=O)[O-])c3)cn2)n1 ZINC000818963867 1007980247 /nfs/dbraw/zinc/98/02/47/1007980247.db2.gz CXUCJYVJRUBEOS-SFHVURJKSA-N 0 3 367.409 2.616 20 5 FFBDHN O=C1CCCN1Cc1ccccc1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818949146 1007989005 /nfs/dbraw/zinc/98/90/05/1007989005.db2.gz JTVZCVBYWUAZSD-IBGZPJMESA-N 0 3 369.421 2.540 20 5 FFBDHN O=C1CCCN1Cc1ccccc1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818949149 1007990503 /nfs/dbraw/zinc/99/05/03/1007990503.db2.gz JTVZCVBYWUAZSD-LJQANCHMSA-N 0 3 369.421 2.540 20 5 FFBDHN CN(C)C(=O)Nc1cccc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819102549 1008034546 /nfs/dbraw/zinc/03/45/46/1008034546.db2.gz LLHUEXIKDZPZBN-KRWDZBQOSA-N 0 3 358.398 2.512 20 5 FFBDHN Cc1ccc(N2CCC[C@H](NC[C@@H](O)c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000819111812 1008047454 /nfs/dbraw/zinc/04/74/54/1008047454.db2.gz VYCKYJRKTNDMSB-RBUKOAKNSA-N 0 3 369.421 2.722 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCCNC(=O)OC(C)(C)C ZINC001177718684 1008726420 /nfs/dbraw/zinc/72/64/20/1008726420.db2.gz GMAXBGSVZGPLLM-UHFFFAOYSA-N 0 3 353.419 2.998 20 5 FFBDHN COCCCn1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cn1 ZINC000860854661 1009176977 /nfs/dbraw/zinc/17/69/77/1009176977.db2.gz FRRJFIGCBJGTQP-LRDDRELGSA-N 0 3 365.361 2.622 20 5 FFBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OC[C@@]1(C)C[C@H](OC)CN1C ZINC000861348299 1009366412 /nfs/dbraw/zinc/36/64/12/1009366412.db2.gz NZBJXQKSXAWCAH-HHXXYDBFSA-N 0 3 364.442 2.816 20 5 FFBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000862631806 1009911581 /nfs/dbraw/zinc/91/15/81/1009911581.db2.gz VTTPFVPFLPRDRA-INIZCTEOSA-N 0 3 360.458 2.798 20 5 FFBDHN CN(C)C[C@H](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000868346581 1011258536 /nfs/dbraw/zinc/25/85/36/1011258536.db2.gz FCWBKDMLYMYOOM-INIZCTEOSA-N 0 3 363.364 2.835 20 5 FFBDHN Cc1ccnc(N2CCN([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)n1 ZINC001172911408 1012123790 /nfs/dbraw/zinc/12/37/90/1012123790.db2.gz BHLBSRFLDDDBSX-GOSISDBHSA-N 0 3 367.453 2.763 20 5 FFBDHN C[C@H](N)c1ccn(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)n1 ZINC001173008047 1012176667 /nfs/dbraw/zinc/17/66/67/1012176667.db2.gz KSHJYLSAHPVJAR-JTQLQIEISA-N 0 3 351.357 2.931 20 5 FFBDHN Cc1cc(CNC2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)nn1C ZINC001173011828 1012182060 /nfs/dbraw/zinc/18/20/60/1012182060.db2.gz LDFUOXQLHGBQTK-UHFFFAOYSA-N 0 3 365.384 2.674 20 5 FFBDHN Cc1nccnc1CNC1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173013152 1012184584 /nfs/dbraw/zinc/18/45/84/1012184584.db2.gz PMDZLDSKHUVYOP-UHFFFAOYSA-N 0 3 363.368 2.730 20 5 FFBDHN COc1ccnc(O[C@@H]2CCCN([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001173237403 1012381392 /nfs/dbraw/zinc/38/13/92/1012381392.db2.gz JCIWXWOGPJNBGO-RHSMWYFYSA-N 0 3 372.425 2.868 20 5 FFBDHN C[C@H](c1ccccc1)[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000827309961 1017568731 /nfs/dbraw/zinc/56/87/31/1017568731.db2.gz IRSNTAZPTHLXFA-OXQOHEQNSA-N 0 3 355.438 2.881 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1CCc2ccccc2OC1 ZINC000801571452 1019127800 /nfs/dbraw/zinc/12/78/00/1019127800.db2.gz TXIZHNYDQCYJDN-OAHLLOKOSA-N 0 3 355.394 2.825 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CN1Cc1ccccc1 ZINC000801921037 1019513869 /nfs/dbraw/zinc/51/38/69/1019513869.db2.gz WONIHUNTUVTPNN-OCCSQVGLSA-N 0 3 372.400 2.709 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@]1(c2cnn(C)c2)CCCO1 ZINC000903358474 1020802611 /nfs/dbraw/zinc/80/26/11/1020802611.db2.gz JZDJLTVDOPMXTQ-ACJLOTCBSA-N 0 3 360.414 2.693 20 5 FFBDHN O=C(CN[C@@H]1CCOC12CCCCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000933874565 1021106231 /nfs/dbraw/zinc/10/62/31/1021106231.db2.gz RROQYDMMSZBJTB-QGZVFWFLSA-N 0 3 359.426 2.565 20 5 FFBDHN Cc1c(C(=O)NCC(C)(C)N2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000042159971 1022143993 /nfs/dbraw/zinc/14/39/93/1022143993.db2.gz VAOVYEVPXWECBP-UHFFFAOYSA-N 0 3 364.402 2.806 20 5 FFBDHN CC(COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21)[N+](=O)[O-] ZINC001123042492 1023606607 /nfs/dbraw/zinc/60/66/07/1023606607.db2.gz NDDNAGIUEGEZEG-AAEUAGOBSA-N 0 3 350.371 2.734 20 5 FFBDHN CCC[C@@H]1CN(c2nnc([C@H](C)[N+](=O)[O-])n2C)CCN1Cc1ccccc1 ZINC001121296128 1023692797 /nfs/dbraw/zinc/69/27/97/1023692797.db2.gz GBJYUWLQWPIVII-DOTOQJQBSA-N 0 3 372.473 2.644 20 5 FFBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@@H]32)n1 ZINC000756624643 1023736631 /nfs/dbraw/zinc/73/66/31/1023736631.db2.gz BMSIWOMFRRLRQT-ZBFHGGJFSA-N 0 3 369.425 2.568 20 5 FFBDHN O=[N+]([O-])c1cc(F)c(Br)c(O[C@H]2CNCCC2(F)F)c1 ZINC001218452762 1033162990 /nfs/dbraw/zinc/16/29/90/1033162990.db2.gz LEPIYPQIBHIWIE-VIFPVBQESA-N 0 3 355.110 2.872 20 5 FFBDHN COc1cccc(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000192752133 1024265405 /nfs/dbraw/zinc/26/54/05/1024265405.db2.gz ZEINMMLMDHDSRH-HOCLYGCPSA-N 0 3 369.421 2.996 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2ncn(CN3CCCC[C@@H]3[C@H]3CCC[C@@H]3O)n2)c1 ZINC000840114435 1026961684 /nfs/dbraw/zinc/96/16/84/1026961684.db2.gz IDYXXGVHKPOWCI-KURKYZTESA-N 0 3 371.441 2.826 20 5 FFBDHN COC(=O)c1cc([N+](=O)[O-])cnc1-n1c(-c2ccccc2)cnc1[C@H](C)N ZINC001159590065 1027437494 /nfs/dbraw/zinc/43/74/94/1027437494.db2.gz IIZLAZFWEOBUDX-NSHDSACASA-N 0 3 367.365 2.649 20 5 FFBDHN CN(CCCN(C)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccco1 ZINC000795754593 1028094825 /nfs/dbraw/zinc/09/48/25/1028094825.db2.gz YDAWGMQMAGZFPX-UHFFFAOYSA-N 0 3 374.397 2.507 20 5 FFBDHN O=[N+]([O-])c1ccc2ccc(-n3nc(C(F)(F)F)c4c3CCNC4)nc2c1 ZINC001154849481 1028482515 /nfs/dbraw/zinc/48/25/15/1028482515.db2.gz NADVNUPNLXSZOY-UHFFFAOYSA-N 0 3 363.299 2.993 20 5 FFBDHN CCOC(=O)c1cc([N+](=O)[O-])cnc1-n1c2ccccc2nc1[C@@H](C)N ZINC001155254420 1028645217 /nfs/dbraw/zinc/64/52/17/1028645217.db2.gz KGKAHTORWYNLHS-SNVBAGLBSA-N 0 3 355.354 2.525 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ccc(NCc3nnn4c3CNCCC4)cc2)cc1 ZINC001162978001 1028744965 /nfs/dbraw/zinc/74/49/65/1028744965.db2.gz SCFUYWUALBJBSM-UHFFFAOYSA-N 0 3 364.409 2.959 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ccc(N[C@H]3CCCC[C@@]34CNCCO4)nn2)cc1 ZINC001155834392 1028934418 /nfs/dbraw/zinc/93/44/18/1028934418.db2.gz UHYJHFCWDNHSSN-PKOBYXMFSA-N 0 3 369.425 2.765 20 5 FFBDHN COc1cc(C)nc(-n2cncc2CNCc2ccccc2)c1[N+](=O)[O-] ZINC001156482448 1029211324 /nfs/dbraw/zinc/21/13/24/1029211324.db2.gz MBAGJKRHLSDBKV-UHFFFAOYSA-N 0 3 353.382 2.782 20 5 FFBDHN O=[N+]([O-])c1cnc(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001165083549 1029371253 /nfs/dbraw/zinc/37/12/53/1029371253.db2.gz GXWKUOUYSBUNLE-WMLDXEAASA-N 0 3 369.381 2.609 20 5 FFBDHN NCc1nn(-c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])c2ccccc12 ZINC001156860618 1029379712 /nfs/dbraw/zinc/37/97/12/1029379712.db2.gz PQBALHJIMMLPFF-UHFFFAOYSA-N 0 3 372.694 2.855 20 5 FFBDHN COCCCN1CCN(c2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)CC1 ZINC001165096934 1029386842 /nfs/dbraw/zinc/38/68/42/1029386842.db2.gz OUEOSZNSVDGROS-UHFFFAOYSA-N 0 3 364.833 2.955 20 5 FFBDHN O=C(NC[C@H]1CCCCN1C1CC1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001156965347 1029423554 /nfs/dbraw/zinc/42/35/54/1029423554.db2.gz VCOAFXKLXHVHDV-MRXNPFEDSA-N 0 3 369.425 2.732 20 5 FFBDHN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001165180689 1029435695 /nfs/dbraw/zinc/43/56/95/1029435695.db2.gz DJOKKRVZWNATSW-QAPCUYQASA-N 0 3 356.426 2.575 20 5 FFBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N(Cc1ccc(F)cc1)C1CCN(C)CC1 ZINC001158449186 1029831637 /nfs/dbraw/zinc/83/16/37/1029831637.db2.gz VQBAIVLLPTYYLZ-UHFFFAOYSA-N 0 3 374.416 2.777 20 5 FFBDHN C/C(=C\C(=O)N1CCN(CC2CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000784013868 1030417678 /nfs/dbraw/zinc/41/76/78/1030417678.db2.gz PNAONCYRAPAENK-JQIJEIRASA-N 0 3 373.453 2.569 20 5 FFBDHN Nc1c(C(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)cccc1[N+](=O)[O-] ZINC001142659271 1030689660 /nfs/dbraw/zinc/68/96/60/1030689660.db2.gz NTEJORWCSBZYGW-QAPCUYQASA-N 0 3 366.421 2.524 20 5 FFBDHN CCOc1cc(NC(=O)NC[C@@H]2CCN2C(C)(C)C)ccc1[N+](=O)[O-] ZINC001219317468 1033597180 /nfs/dbraw/zinc/59/71/80/1033597180.db2.gz BOBYUWMAALBCJQ-ZDUSSCGKSA-N 0 3 350.419 2.988 20 5 FFBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000831572900 1034129963 /nfs/dbraw/zinc/12/99/63/1034129963.db2.gz XDRXJPKVSMQVLT-AGIUHOORSA-N 0 3 371.359 2.998 20 5 FFBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000831572901 1034130053 /nfs/dbraw/zinc/13/00/53/1034130053.db2.gz XDRXJPKVSMQVLT-FRRDWIJNSA-N 0 3 371.359 2.998 20 5 FFBDHN CN1CCC[C@@H](Oc2ccc([N+](=O)[O-])c(I)c2)C1 ZINC001227995088 1035858493 /nfs/dbraw/zinc/85/84/93/1035858493.db2.gz RJMRFJFPPDPGIC-SNVBAGLBSA-N 0 3 362.167 2.672 20 5 FFBDHN CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3nccc4ccc([N+](=O)[O-])cc43)C[C@H]1N2C ZINC001229010079 1036456482 /nfs/dbraw/zinc/45/64/82/1036456482.db2.gz ZCJQZOSUBYIDHQ-CWLKWCNXSA-N 0 3 371.393 2.689 20 5 FFBDHN CN1CCC(Oc2ccc(I)c([N+](=O)[O-])c2)CC1 ZINC001229946167 1036993547 /nfs/dbraw/zinc/99/35/47/1036993547.db2.gz LNNXQCDXBQBVPN-UHFFFAOYSA-N 0 3 362.167 2.672 20 5 FFBDHN COc1cc(N2CCC(N(C)Cc3cc(C)nn3C)CC2)ccc1[N+](=O)[O-] ZINC001256098994 1038382336 /nfs/dbraw/zinc/38/23/36/1038382336.db2.gz IJJJMYNUSCUGID-UHFFFAOYSA-N 0 3 373.457 2.746 20 5 FFBDHN CCN1CCN(Cc2ccc(Nc3cnc(OC)c([N+](=O)[O-])c3)cc2)CC1 ZINC001210138483 1039401758 /nfs/dbraw/zinc/40/17/58/1039401758.db2.gz UUSBPDSUSRVWFN-UHFFFAOYSA-N 0 3 371.441 2.880 20 5 FFBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001254551509 1040791783 /nfs/dbraw/zinc/79/17/83/1040791783.db2.gz CMZMNSIBRJEHRP-FAYQHZLMSA-N 0 3 361.442 2.981 20 5 FFBDHN Cc1noc(C[C@@H]2C[C@H]3CN([C@H](C)Cc4ccccc4[N+](=O)[O-])C[C@H]3O2)n1 ZINC001254559476 1040797066 /nfs/dbraw/zinc/79/70/66/1040797066.db2.gz YCZIQSSZCPURCD-BLBBIFAFSA-N 0 3 372.425 2.549 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCCN(Cc3ccncc3)CC1)C2 ZINC001254599743 1040830075 /nfs/dbraw/zinc/83/00/75/1040830075.db2.gz PRZNPGZAKOKYFZ-FQEVSTJZSA-N 0 3 352.438 2.665 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])cc1-c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001216836916 1042140278 /nfs/dbraw/zinc/14/02/78/1042140278.db2.gz BIPRAQHWKARUBM-UHFFFAOYSA-N 0 3 351.366 2.969 20 5 FFBDHN COCCN1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001311330584 1043891508 /nfs/dbraw/zinc/89/15/08/1043891508.db2.gz FUOAGXXNPHMHRJ-ZDUSSCGKSA-N 0 3 358.398 2.590 20 5 FFBDHN CN1CCCC[C@H]1CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001312380988 1044103685 /nfs/dbraw/zinc/10/36/85/1044103685.db2.gz NNPPDLDNXDAGFG-AWEZNQCLSA-N 0 3 354.838 2.574 20 5 FFBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CCN(c2cnn(C)c2)C1 ZINC001329642208 1048826551 /nfs/dbraw/zinc/82/65/51/1048826551.db2.gz GEEGCALOIMFIKS-OLZOCXBDSA-N 0 3 361.471 2.980 20 5 FFBDHN CN(C)[C@H](CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001330157326 1049062237 /nfs/dbraw/zinc/06/22/37/1049062237.db2.gz NOGKRCWTIGATCF-GOSISDBHSA-N 0 3 354.410 2.923 20 5 FFBDHN COc1ccc([C@@H](CN(C)C)NC[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001335414553 1053347264 /nfs/dbraw/zinc/34/72/64/1053347264.db2.gz YUXPQRAPGUFFDG-MOPGFXCFSA-N 0 3 359.426 2.529 20 5 FFBDHN CS[C@@H]1CCCC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001335469179 1053385309 /nfs/dbraw/zinc/38/53/09/1053385309.db2.gz YQRVHASEEDQVCT-HUUCEWRRSA-N 0 3 358.485 2.632 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H]2CCCN3CCO)c(C(F)(F)F)c1 ZINC001335565340 1053439266 /nfs/dbraw/zinc/43/92/66/1053439266.db2.gz HYZISUMGJLTTMR-HUUCEWRRSA-N 0 3 359.348 2.649 20 5 FFBDHN COc1c(O)ccc(CNc2ccc(N3CCN(C)CC3)cc2)c1[N+](=O)[O-] ZINC001336699421 1054148112 /nfs/dbraw/zinc/14/81/12/1054148112.db2.gz ZHOUUZKLMSSLRO-UHFFFAOYSA-N 0 3 372.425 2.673 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CNCCN2CC[C@@H](O)C2)o1 ZINC001351619399 1054923668 /nfs/dbraw/zinc/92/36/68/1054923668.db2.gz LYKDQZRUPWDLEV-CYBMUJFWSA-N 0 3 365.817 2.664 20 5 FFBDHN C[C@@H](CN(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])CC(C)(C)C ZINC001460296184 1060946092 /nfs/dbraw/zinc/94/60/92/1060946092.db2.gz OVCSOJVADHDUAU-CQSZACIVSA-N 0 3 371.503 2.877 20 5 FFBDHN CCOc1ccc(NC(=O)CN[C@H]2CCOC23CCCC3)c([N+](=O)[O-])c1 ZINC001460910135 1061147553 /nfs/dbraw/zinc/14/75/53/1061147553.db2.gz RKVKEXKUFWDDIS-INIZCTEOSA-N 0 3 363.414 2.623 20 5 FFBDHN C[C@@H](CNCc1c(Br)cccc1[N+](=O)[O-])Cn1ccnc1 ZINC001461157721 1061228641 /nfs/dbraw/zinc/22/86/41/1061228641.db2.gz SDOVFJYEALGOSD-NSHDSACASA-N 0 3 353.220 2.980 20 5 FFBDHN O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1[n-]nc([N+](=O)[O-])c1Cl ZINC001440676292 1063333899 /nfs/dbraw/zinc/33/38/99/1063333899.db2.gz MTTGWDCQYAYHCJ-VIFPVBQESA-N 0 3 369.834 2.600 20 5 FFBDHN COc1ccc(CC[NH2+]Cc2cc(OC)c([O-])cc2[N+](=O)[O-])c(OC)c1 ZINC001473966680 1065429878 /nfs/dbraw/zinc/42/98/78/1065429878.db2.gz SRZLGQURTWSCTI-UHFFFAOYSA-N 0 3 362.382 2.659 20 5 FFBDHN Nc1c(Cl)cc(C(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC001583145778 1079170757 /nfs/dbraw/zinc/17/07/57/1079170757.db2.gz UCQJEYMCEKGFPA-QWHCGFSZSA-N 0 3 352.822 2.577 20 5 FFBDHN CN(C)Cc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c(F)c1 ZINC001557008901 1075798481 /nfs/dbraw/zinc/79/84/81/1075798481.db2.gz WGIQTIQNKXMOSX-UHFFFAOYSA-N 0 3 350.325 2.769 20 5 FFBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001570017408 1077177428 /nfs/dbraw/zinc/17/74/28/1077177428.db2.gz MUANMAAOSYJEOF-VQIMIIECSA-N 0 3 366.421 2.934 20 5 FFBDHN CC(C)([NH2+]CCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC001589321707 1080482041 /nfs/dbraw/zinc/48/20/41/1080482041.db2.gz LNEHBRBPDXMBAP-UHFFFAOYSA-N 0 3 352.398 2.842 20 5 FFBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000109286423 209302663 /nfs/dbraw/zinc/30/26/63/209302663.db2.gz QLNPDCZVFROJDF-LSDHHAIUSA-N 0 3 371.441 2.631 20 5 FFBDHN CN1CC[C@H]2CCN(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000272474561 252048041 /nfs/dbraw/zinc/04/80/41/252048041.db2.gz IRGQZQWHUKLYML-XJKSGUPXSA-N 0 3 366.849 2.526 20 5 FFBDHN CN1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)[C@H]2C1 ZINC000272697274 252106958 /nfs/dbraw/zinc/10/69/58/252106958.db2.gz YATUKULQLRCZTN-HZMBPMFUSA-N 0 3 368.231 2.524 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000273531258 252324337 /nfs/dbraw/zinc/32/43/37/252324337.db2.gz QXMHGOKFRJYJTA-ZDUSSCGKSA-N 0 3 369.487 2.508 20 5 FFBDHN COc1cc(CN[C@@H]2CCC[C@@H]2CCO)c([N+](=O)[O-])cc1OC(F)F ZINC000275056929 255951437 /nfs/dbraw/zinc/95/14/37/255951437.db2.gz NPACDYJRTGJYSE-ZYHUDNBSSA-N 0 3 360.357 2.846 20 5 FFBDHN C[C@@H]1C[C@H](N2CCCC2)CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000285763685 257003461 /nfs/dbraw/zinc/00/34/61/257003461.db2.gz ZQFMTFAEEFNTCE-OCCSQVGLSA-N 0 3 366.849 2.745 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000277571356 256212607 /nfs/dbraw/zinc/21/26/07/256212607.db2.gz OACRNYQVYVVPIY-HNNXBMFYSA-N 0 3 363.458 2.751 20 5 FFBDHN COc1ccc([C@H](CN(C)C)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000285866217 257008472 /nfs/dbraw/zinc/00/84/72/257008472.db2.gz BGZRFFKQGLPEDX-INIZCTEOSA-N 0 3 373.409 2.645 20 5 FFBDHN CCCN(CCN1CCCCC1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000286285925 257029617 /nfs/dbraw/zinc/02/96/17/257029617.db2.gz ROHVLZNYCFCHGD-UHFFFAOYSA-N 0 3 352.410 2.654 20 5 FFBDHN Cc1cnn([C@@H]2CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)c1 ZINC000289865337 257303513 /nfs/dbraw/zinc/30/35/13/257303513.db2.gz LLCWKZJGSBHRCI-CQSZACIVSA-N 0 3 361.377 2.514 20 5 FFBDHN CN1CCN(CCCNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000290816850 257359263 /nfs/dbraw/zinc/35/92/63/257359263.db2.gz GPJHQJDUULQFRR-UHFFFAOYSA-N 0 3 361.273 2.629 20 5 FFBDHN C[C@H]1CCCN(CCNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000301116398 258026876 /nfs/dbraw/zinc/02/68/76/258026876.db2.gz PVVIZTYSMWCOHV-HNNXBMFYSA-N 0 3 360.458 2.975 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](CCO)c1ccccc1 ZINC000299704453 258018487 /nfs/dbraw/zinc/01/84/87/258018487.db2.gz PKUAEGHSDTYRHK-MRXNPFEDSA-N 0 3 373.409 2.645 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(Cc1ccncc1)C1CC1 ZINC000299727317 258020824 /nfs/dbraw/zinc/02/08/24/258020824.db2.gz VFMVEWPIQGRUCK-UHFFFAOYSA-N 0 3 370.409 2.992 20 5 FFBDHN CC(C)(C)Oc1cc(N2CCN(C[C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000301868634 258071780 /nfs/dbraw/zinc/07/17/80/258071780.db2.gz FBGZZPDAIDOCPQ-OAHLLOKOSA-N 0 3 363.458 2.931 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301964451 258078679 /nfs/dbraw/zinc/07/86/79/258078679.db2.gz NTATVLHSSDZEMN-ZBFHGGJFSA-N 0 3 366.425 2.960 20 5 FFBDHN CCCN1CCC[C@@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000330918334 258173670 /nfs/dbraw/zinc/17/36/70/258173670.db2.gz MZROBBOGGSGYMI-GOSISDBHSA-N 0 3 361.442 2.839 20 5 FFBDHN C[C@H]1CN2CCCC[C@H]2CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000332474804 258231858 /nfs/dbraw/zinc/23/18/58/258231858.db2.gz KZQJCBUARLCRDO-JSGCOSHPSA-N 0 3 366.849 2.745 20 5 FFBDHN Cn1cc(N2CC[C@H](NCc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2)cn1 ZINC000370902849 512126337 /nfs/dbraw/zinc/12/63/37/512126337.db2.gz CXAKYWFQPJYIKI-HNNXBMFYSA-N 0 3 367.409 2.957 20 5 FFBDHN C[C@@H]1CCCCN1CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000162087566 509171967 /nfs/dbraw/zinc/17/19/67/509171967.db2.gz JATZTQMGDJNWLQ-LLVKDONJSA-N 0 3 370.247 2.962 20 5 FFBDHN CCN(CC)C[C@@H](C)NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000440079260 513242694 /nfs/dbraw/zinc/24/26/94/513242694.db2.gz XCARBWHVDUIQJJ-SNVBAGLBSA-N 0 3 363.867 2.565 20 5 FFBDHN Cn1cc(CN2CC[C@]3(C2)CCCOC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000375303294 512257685 /nfs/dbraw/zinc/25/76/85/512257685.db2.gz NTUZFFYZUPKKMK-IBGZPJMESA-N 0 3 356.426 2.998 20 5 FFBDHN O=C(CN1CCN(C2CCCC2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000039972125 506456626 /nfs/dbraw/zinc/45/66/26/506456626.db2.gz FAEAATJUMYYSEJ-UHFFFAOYSA-N 0 3 366.849 2.747 20 5 FFBDHN COc1ccc(C(=O)NCCCN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000009982418 506720384 /nfs/dbraw/zinc/72/03/84/506720384.db2.gz CJNHEVNFUNZPTP-UHFFFAOYSA-N 0 3 357.410 2.855 20 5 FFBDHN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H]1CN1CCCCC1 ZINC000068133234 507123815 /nfs/dbraw/zinc/12/38/15/507123815.db2.gz GTGNBEMJSWIWOO-AWEZNQCLSA-N 0 3 357.414 2.562 20 5 FFBDHN CN(C)Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000068250142 507161088 /nfs/dbraw/zinc/16/10/88/507161088.db2.gz MUHWUSPYARGXNP-UHFFFAOYSA-N 0 3 368.437 2.619 20 5 FFBDHN Cc1ccc([C@@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000068256480 507163572 /nfs/dbraw/zinc/16/35/72/507163572.db2.gz SSBMREMSNICPMK-GOSISDBHSA-N 0 3 356.426 2.734 20 5 FFBDHN C[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C)C1 ZINC000047213367 507286073 /nfs/dbraw/zinc/28/60/73/507286073.db2.gz PQWOJKFYCBQVLY-KBPBESRZSA-N 0 3 351.472 2.924 20 5 FFBDHN CCN1CCN(Cc2ccc(CNc3ncccc3[N+](=O)[O-])cc2)CC1 ZINC000047272524 507298165 /nfs/dbraw/zinc/29/81/65/507298165.db2.gz RFBHXFYXWHJRRJ-UHFFFAOYSA-N 0 3 355.442 2.739 20 5 FFBDHN C[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)N(C)C1CC1 ZINC000057713366 507315949 /nfs/dbraw/zinc/31/59/49/507315949.db2.gz JADQBLIHSSIBRQ-OAHLLOKOSA-N 0 3 363.461 2.754 20 5 FFBDHN CN(C(=O)CN1CCC[C@@H]1CN1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000069076265 507399237 /nfs/dbraw/zinc/39/92/37/507399237.db2.gz ZPODGRIKXKRJSE-GOSISDBHSA-N 0 3 360.458 2.508 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CCOc1ccccc1 ZINC000026222705 507570131 /nfs/dbraw/zinc/57/01/31/507570131.db2.gz RUOVMJQBUZESJJ-UHFFFAOYSA-N 0 3 373.409 2.943 20 5 FFBDHN COc1ccc([C@@H](CNCc2ccccc2[N+](=O)[O-])N2CCOCC2)cc1 ZINC000061013002 507588760 /nfs/dbraw/zinc/58/87/60/507588760.db2.gz VYYNWYJDVLLQAS-HXUWFJFHSA-N 0 3 371.437 2.767 20 5 FFBDHN CCC(C)(C)NC(=O)C(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000061796314 507642198 /nfs/dbraw/zinc/64/21/98/507642198.db2.gz VXLZEGYPUDQJEA-LBPRGKRZSA-N 0 3 356.444 2.511 20 5 FFBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NCC1(N2CCSCC2)CCCC1 ZINC000029371234 507775641 /nfs/dbraw/zinc/77/56/41/507775641.db2.gz HPHCRHQSDRSABO-UHFFFAOYSA-N 0 3 363.483 2.615 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NCCCN1CCc2ccccc2C1 ZINC000029839865 507792397 /nfs/dbraw/zinc/79/23/97/507792397.db2.gz OFZFWIDHGRJZDX-UHFFFAOYSA-N 0 3 369.421 2.782 20 5 FFBDHN CC(C)[C@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCS1 ZINC000072836544 507860894 /nfs/dbraw/zinc/86/08/94/507860894.db2.gz BDOFWNAUHROGGK-MRXNPFEDSA-N 0 3 365.455 2.966 20 5 FFBDHN CC1CCN(c2ccc(C(=O)NC[C@H]3CCCN(C)C3)cc2[N+](=O)[O-])CC1 ZINC000108341368 507888876 /nfs/dbraw/zinc/88/88/76/507888876.db2.gz JSXNORCJCVZCRN-MRXNPFEDSA-N 0 3 374.485 2.903 20 5 FFBDHN CCc1ccc(C2=CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000093262746 508132167 /nfs/dbraw/zinc/13/21/67/508132167.db2.gz ZASDAFUFOWGTBO-IBGZPJMESA-N 0 3 356.426 2.504 20 5 FFBDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000081128763 508141064 /nfs/dbraw/zinc/14/10/64/508141064.db2.gz BTCBUMCFSZEHCP-GOSISDBHSA-N 0 3 369.421 2.707 20 5 FFBDHN COc1cc(OCC(=O)Nc2ccc(C)cc2CN(C)C)ccc1[N+](=O)[O-] ZINC000113911992 508285590 /nfs/dbraw/zinc/28/55/90/508285590.db2.gz UQQDHFNRNBKFIY-UHFFFAOYSA-N 0 3 373.409 2.991 20 5 FFBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCN1Cc1ccccc1 ZINC000114642780 508333695 /nfs/dbraw/zinc/33/36/95/508333695.db2.gz DLZRVUODTBARDZ-LJQANCHMSA-N 0 3 353.422 2.918 20 5 FFBDHN C[C@@H](O)CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCCCC1 ZINC000104684656 508341747 /nfs/dbraw/zinc/34/17/47/508341747.db2.gz IMIZDMIWNJSROO-CYBMUJFWSA-N 0 3 350.415 2.977 20 5 FFBDHN CCOC(=O)c1ccnc(N[C@@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000077903856 508390303 /nfs/dbraw/zinc/39/03/03/508390303.db2.gz QCWJIMNODCVNLD-OAHLLOKOSA-N 0 3 370.409 2.853 20 5 FFBDHN COC[C@H](O)CNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000117947000 508624727 /nfs/dbraw/zinc/62/47/27/508624727.db2.gz BZEMFKZZCHAQKV-CQSZACIVSA-N 0 3 350.346 2.623 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CN1C1CC1 ZINC000123097630 508635798 /nfs/dbraw/zinc/63/57/98/508635798.db2.gz CQSMOVYZORALHT-HIFRSBDPSA-N 0 3 358.442 2.894 20 5 FFBDHN C[C@@H]1C[C@H](N(C)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCN1C ZINC000123418513 508684478 /nfs/dbraw/zinc/68/44/78/508684478.db2.gz ZECRQZLQAFJAKE-GDBMZVCRSA-N 0 3 360.458 2.750 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c1 ZINC000137448855 508756496 /nfs/dbraw/zinc/75/64/96/508756496.db2.gz NUKCPRRANSFZRA-HOCLYGCPSA-N 0 3 369.421 2.996 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000159165177 508801719 /nfs/dbraw/zinc/80/17/19/508801719.db2.gz WKSHBCDVIIPHOZ-INIZCTEOSA-N 0 3 369.469 2.901 20 5 FFBDHN CCCCNC(=O)[C@H]1CC[C@H](C)N(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000144838133 508841352 /nfs/dbraw/zinc/84/13/52/508841352.db2.gz HQVBYLSIAWHTOD-HOTGVXAUSA-N 0 3 363.458 2.990 20 5 FFBDHN CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)Cc1ccccn1 ZINC000119855238 508876977 /nfs/dbraw/zinc/87/69/77/508876977.db2.gz GERHJSRMEZXYAJ-UHFFFAOYSA-N 0 3 358.398 2.849 20 5 FFBDHN CCOc1ccc(NC(=O)CN[C@@H]2CC(C)(C)OC2(C)C)c([N+](=O)[O-])c1 ZINC000119881327 508882826 /nfs/dbraw/zinc/88/28/26/508882826.db2.gz BUJNJBUSBWLEOQ-OAHLLOKOSA-N 0 3 365.430 2.868 20 5 FFBDHN CC(C)CN1CCCC[C@@H]1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000125070747 508926544 /nfs/dbraw/zinc/92/65/44/508926544.db2.gz FHRHQICFCVXZMH-QGZVFWFLSA-N 0 3 369.487 2.525 20 5 FFBDHN CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000369473701 512426655 /nfs/dbraw/zinc/42/66/55/512426655.db2.gz XGMNYSVRWYMINC-OAHLLOKOSA-N 0 3 357.414 2.698 20 5 FFBDHN CNC(=O)c1ccc(N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000160230237 508957776 /nfs/dbraw/zinc/95/77/76/508957776.db2.gz IKQPPQZZDLMUAT-KSSFIOAISA-N 0 3 368.437 2.887 20 5 FFBDHN CN(CCNC(=O)NCCc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000160520285 508997864 /nfs/dbraw/zinc/99/78/64/508997864.db2.gz QOKFIWBFXMSVAC-UHFFFAOYSA-N 0 3 356.426 2.569 20 5 FFBDHN CC(C)N(CCN(C)C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000151820656 509089848 /nfs/dbraw/zinc/08/98/48/509089848.db2.gz MOCFWGNUMKRXJL-UHFFFAOYSA-N 0 3 358.236 2.770 20 5 FFBDHN COC(=O)[C@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C ZINC000191837926 509204357 /nfs/dbraw/zinc/20/43/57/509204357.db2.gz SMTIKIQJZILMKB-BBRMVZONSA-N 0 3 373.409 2.923 20 5 FFBDHN CC(C)OCCN1CCC(Nc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000267079920 509337722 /nfs/dbraw/zinc/33/77/22/509337722.db2.gz SDOBOOMYGQRWKF-UHFFFAOYSA-N 0 3 353.448 2.605 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000182622224 509338545 /nfs/dbraw/zinc/33/85/45/509338545.db2.gz AVIAVTMAOGAVIG-HOTGVXAUSA-N 0 3 361.442 2.535 20 5 FFBDHN O=[N+]([O-])c1ccn(CCNC2(c3ccc4c(c3)OCCO4)CCCC2)n1 ZINC000176218891 509385384 /nfs/dbraw/zinc/38/53/84/509385384.db2.gz FZPDTKOCSOKCPO-UHFFFAOYSA-N 0 3 358.398 2.622 20 5 FFBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000179367570 509405271 /nfs/dbraw/zinc/40/52/71/509405271.db2.gz VEOXTEQXXPKOMN-FZKQIMNGSA-N 0 3 356.426 2.561 20 5 FFBDHN CCC(CC)(CC(=O)OC)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000267311275 509442252 /nfs/dbraw/zinc/44/22/52/509442252.db2.gz XEQXHFIMJOKPJU-UHFFFAOYSA-N 0 3 352.387 2.673 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@H]3CCOC3)CC2)cc1C(F)(F)F ZINC000267347419 509458088 /nfs/dbraw/zinc/45/80/88/509458088.db2.gz FVDHZONRQNEBMB-GFCCVEGCSA-N 0 3 359.348 2.772 20 5 FFBDHN O=C(NCC1(N2CCCC2)CCOCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000264328083 509459564 /nfs/dbraw/zinc/45/95/64/509459564.db2.gz WOHUKLKNVKHLCN-UHFFFAOYSA-N 0 3 367.833 2.623 20 5 FFBDHN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)CCN(C)C)cc2[N+](=O)[O-])C1 ZINC000176371674 509472275 /nfs/dbraw/zinc/47/22/75/509472275.db2.gz CJPZUDPRVBVIAE-GJZGRUSLSA-N 0 3 362.474 2.711 20 5 FFBDHN CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC1(c2ccccc2)CC1 ZINC000189287317 509502318 /nfs/dbraw/zinc/50/23/18/509502318.db2.gz QGQARLZUYKENJP-GOSISDBHSA-N 0 3 356.422 2.998 20 5 FFBDHN COC(=O)c1cnc(NC[C@H](C)N(C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000189288343 509502422 /nfs/dbraw/zinc/50/24/22/509502422.db2.gz XBLIGQMGIPELRZ-ZDUSSCGKSA-N 0 3 358.398 2.709 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000248875743 509523577 /nfs/dbraw/zinc/52/35/77/509523577.db2.gz RABNTDQUBHHAAN-DOTOQJQBSA-N 0 3 369.421 2.610 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000248920099 509543492 /nfs/dbraw/zinc/54/34/92/509543492.db2.gz WNDFNMFVYCTQEZ-HNAYVOBHSA-N 0 3 368.437 2.915 20 5 FFBDHN COC(=O)c1cnc(N[C@H](C)CN(C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000189379562 509547960 /nfs/dbraw/zinc/54/79/60/509547960.db2.gz IMJULISFISTNHK-CYBMUJFWSA-N 0 3 358.398 2.709 20 5 FFBDHN COC(=O)C[C@@H]1CCCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000165697771 509581397 /nfs/dbraw/zinc/58/13/97/509581397.db2.gz LZAXJACHHVYIEO-AWEZNQCLSA-N 0 3 363.414 2.649 20 5 FFBDHN COc1cc(CNC[C@@H](O)C(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237149142 509582821 /nfs/dbraw/zinc/58/28/21/509582821.db2.gz MDBURJHEVZBCMV-GFCCVEGCSA-N 0 3 366.336 2.651 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCC2(N3CCCCC3)CCOCC2)c1 ZINC000173677228 509714910 /nfs/dbraw/zinc/71/49/10/509714910.db2.gz RYHLMYUYKTZCFW-UHFFFAOYSA-N 0 3 361.442 2.668 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000249686846 509735476 /nfs/dbraw/zinc/73/54/76/509735476.db2.gz JCTBIILOVMSSRH-ZIAGYGMSSA-N 0 3 364.446 2.523 20 5 FFBDHN C[C@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H](c1ccccc1)N(C)C ZINC000186493506 509737825 /nfs/dbraw/zinc/73/78/25/509737825.db2.gz HNTLQSQNYFOSAQ-SGTLLEGYSA-N 0 3 367.409 2.892 20 5 FFBDHN CCOC[C@@H](N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000189811036 509764687 /nfs/dbraw/zinc/76/46/87/509764687.db2.gz PBVSFEWDSBTULO-IUODEOHRSA-N 0 3 353.419 2.581 20 5 FFBDHN O=C(NCC1(N2CCCC2)CCOCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000264966539 509800590 /nfs/dbraw/zinc/80/05/90/509800590.db2.gz YBNKOGQHCHFULQ-UHFFFAOYSA-N 0 3 367.833 2.623 20 5 FFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000190007494 509880600 /nfs/dbraw/zinc/88/06/00/509880600.db2.gz JEAYUQVOYFNGJR-HUUCEWRRSA-N 0 3 369.487 2.562 20 5 FFBDHN CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C1CCN(C)CC1 ZINC000171222455 510017588 /nfs/dbraw/zinc/01/75/88/510017588.db2.gz AXROXRNHXBJFAH-UHFFFAOYSA-N 0 3 360.458 2.751 20 5 FFBDHN C[C@H](NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000245602269 510033342 /nfs/dbraw/zinc/03/33/42/510033342.db2.gz PKRRSCKNVQNFPO-RYGJVYDSSA-N 0 3 355.438 2.881 20 5 FFBDHN C[C@H](CN(C)C[C@H](O)COc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000183938138 510047250 /nfs/dbraw/zinc/04/72/50/510047250.db2.gz CMNRERSHIQYUIH-OLZOCXBDSA-N 0 3 351.428 2.527 20 5 FFBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000180724432 510074153 /nfs/dbraw/zinc/07/41/53/510074153.db2.gz QXNSEPSQROWBMY-CYBMUJFWSA-N 0 3 374.466 2.881 20 5 FFBDHN CN(CCN(C)C1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000184170348 510173048 /nfs/dbraw/zinc/17/30/48/510173048.db2.gz WSIPSDCKQBTUPY-UHFFFAOYSA-N 0 3 358.345 2.754 20 5 FFBDHN O=[N+]([O-])c1cccc(OCCN(C[C@H]2CCCO2)[C@H]2CCSC2)c1 ZINC000245907827 510199377 /nfs/dbraw/zinc/19/93/77/510199377.db2.gz QWJHXIDGNVROHU-DOTOQJQBSA-N 0 3 352.456 2.960 20 5 FFBDHN CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCC[C@H]1O ZINC000245920057 510207402 /nfs/dbraw/zinc/20/74/02/510207402.db2.gz GWYQKHAXGFFSRA-MAUKXSAKSA-N 0 3 358.442 2.978 20 5 FFBDHN CN(Cc1ccccc1)[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])C1CC1 ZINC000187457953 510277056 /nfs/dbraw/zinc/27/70/56/510277056.db2.gz QCQZNXZHKOJSAX-GOSISDBHSA-N 0 3 368.437 2.817 20 5 FFBDHN O=C(NCCNCc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1ccn[nH]1 ZINC000181142874 510285413 /nfs/dbraw/zinc/28/54/13/510285413.db2.gz NPJCFGZBGLHQEL-UHFFFAOYSA-N 0 3 371.422 2.566 20 5 FFBDHN CCN(Cc1ccc(Cl)c(Cl)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174745004 510287160 /nfs/dbraw/zinc/28/71/60/510287160.db2.gz UGPZOFZXHLOSRU-ZDUSSCGKSA-N 0 3 373.240 2.981 20 5 FFBDHN CCO[C@@H]1C[C@H](O)C12CCN(CCCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000265922838 510301561 /nfs/dbraw/zinc/30/15/61/510301561.db2.gz CDYHBVVPNCZSOU-ZWKOTPCHSA-N 0 3 364.442 2.616 20 5 FFBDHN C[C@@H]1CCCN(CCNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000184449909 510331602 /nfs/dbraw/zinc/33/16/02/510331602.db2.gz GUDPLZMRLRPOGW-GFCCVEGCSA-N 0 3 354.838 2.779 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1cccc(O)c1 ZINC000181493457 510436677 /nfs/dbraw/zinc/43/66/77/510436677.db2.gz IRURNIQFJMVXQE-GFCCVEGCSA-N 0 3 359.382 2.988 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H](c2ccccc2F)C2CCCC2)c1 ZINC000181500849 510440532 /nfs/dbraw/zinc/44/05/32/510440532.db2.gz SLALWZUOZXOZQK-YJBOKZPZSA-N 0 3 362.405 2.812 20 5 FFBDHN Nc1c(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cccc1[N+](=O)[O-] ZINC000178151107 510459949 /nfs/dbraw/zinc/45/99/49/510459949.db2.gz VHPSYBBXNYNBIS-KRWDZBQOSA-N 0 3 354.410 2.744 20 5 FFBDHN COc1ccc([C@H]2CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000181650197 510521574 /nfs/dbraw/zinc/52/15/74/510521574.db2.gz FXGFONYBAOFZBN-IRXDYDNUSA-N 0 3 372.421 2.833 20 5 FFBDHN COc1ccccc1[C@H](CC(C)C)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000181717134 510555780 /nfs/dbraw/zinc/55/57/80/510555780.db2.gz SLKBLNVUMUTLBN-RDJZCZTQSA-N 0 3 362.430 2.538 20 5 FFBDHN CN(C)C1(CN(C)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCC1 ZINC000188055895 510569129 /nfs/dbraw/zinc/56/91/29/510569129.db2.gz NLZXVAXWRHPIRA-UHFFFAOYSA-N 0 3 360.458 2.751 20 5 FFBDHN COc1ccccc1CCN(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181776668 510586994 /nfs/dbraw/zinc/58/69/94/510586994.db2.gz AGFSUNVZTRENLA-INIZCTEOSA-N 0 3 360.410 2.518 20 5 FFBDHN NC[C@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000178603877 510682007 /nfs/dbraw/zinc/68/20/07/510682007.db2.gz LCBKEYBSLGKUOR-IBGZPJMESA-N 0 3 369.421 2.707 20 5 FFBDHN Cc1[n-]nc(C(=O)Nc2ccc(OCC[N@H+]3CC[C@@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000266611694 510687032 /nfs/dbraw/zinc/68/70/32/510687032.db2.gz BILVYLGQXPNNDS-GFCCVEGCSA-N 0 3 373.413 2.599 20 5 FFBDHN Cc1[n-]nc(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000266611694 510687039 /nfs/dbraw/zinc/68/70/39/510687039.db2.gz BILVYLGQXPNNDS-GFCCVEGCSA-N 0 3 373.413 2.599 20 5 FFBDHN Cc1cc(NCCCN2CCC(O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270241457 510731836 /nfs/dbraw/zinc/73/18/36/510731836.db2.gz QJWJXSMVPGFCNK-UHFFFAOYSA-N 0 3 371.441 2.619 20 5 FFBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000182081299 510745963 /nfs/dbraw/zinc/74/59/63/510745963.db2.gz ZPGGWAWQIRSOPF-OAHLLOKOSA-N 0 3 357.410 2.610 20 5 FFBDHN CC(C)(C)OC(=O)NC[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000185232494 510760286 /nfs/dbraw/zinc/76/02/86/510760286.db2.gz FQVMSKJOSXMPTE-HZPDHXFCSA-N 0 3 365.430 2.521 20 5 FFBDHN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C1CCN(C2CC2)CC1 ZINC000195318948 510781014 /nfs/dbraw/zinc/78/10/14/510781014.db2.gz LQDIZGIGPUNSHI-UHFFFAOYSA-N 0 3 361.398 2.569 20 5 FFBDHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000247009503 510796988 /nfs/dbraw/zinc/79/69/88/510796988.db2.gz RFDAARZQRIDTCS-IRXDYDNUSA-N 0 3 372.469 2.894 20 5 FFBDHN C[C@H](CN1CCCCCC1)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000185412465 510838539 /nfs/dbraw/zinc/83/85/39/510838539.db2.gz PFHOGGWIOYMNPR-OAHLLOKOSA-N 0 3 371.441 2.775 20 5 FFBDHN C[C@H](CN1CCCCCC1)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000185441819 510845601 /nfs/dbraw/zinc/84/56/01/510845601.db2.gz RGKSHZMSYVFQRW-OAHLLOKOSA-N 0 3 371.441 2.775 20 5 FFBDHN CCc1ccc([C@@H]2CCCCCN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000247500226 510863345 /nfs/dbraw/zinc/86/33/45/510863345.db2.gz LPWLQSAWIQDKDK-WBVHZDCISA-N 0 3 362.430 2.925 20 5 FFBDHN CC(C)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000270507039 510890365 /nfs/dbraw/zinc/89/03/65/510890365.db2.gz VWQHXXIAARAYAF-UHFFFAOYSA-N 0 3 350.438 2.729 20 5 FFBDHN C[C@H](NCc1ccc(N2CCOC2=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294057374 510941642 /nfs/dbraw/zinc/94/16/42/510941642.db2.gz GZLJYZQDHHSKDV-LBPRGKRZSA-N 0 3 356.382 2.984 20 5 FFBDHN Cn1cc(N2CC[C@H](NCc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2)cn1 ZINC000361010788 510978641 /nfs/dbraw/zinc/97/86/41/510978641.db2.gz GEANUDKDKUFRSC-AWEZNQCLSA-N 0 3 367.409 2.957 20 5 FFBDHN CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000361256720 511021374 /nfs/dbraw/zinc/02/13/74/511021374.db2.gz DKIKGIVMIJISKG-MRXNPFEDSA-N 0 3 354.410 2.584 20 5 FFBDHN COc1ccc(CN2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc1[N+](=O)[O-] ZINC000270910309 511022615 /nfs/dbraw/zinc/02/26/15/511022615.db2.gz STVBXGWZEBCMNT-AWEZNQCLSA-N 0 3 357.414 2.979 20 5 FFBDHN COc1ccc(CN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1[N+](=O)[O-] ZINC000270910309 511022619 /nfs/dbraw/zinc/02/26/19/511022619.db2.gz STVBXGWZEBCMNT-AWEZNQCLSA-N 0 3 357.414 2.979 20 5 FFBDHN CN(C)CCn1nccc1NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000297882405 511098736 /nfs/dbraw/zinc/09/87/36/511098736.db2.gz VCPGBBBIWMLOOF-UHFFFAOYSA-N 0 3 371.319 2.624 20 5 FFBDHN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CCC[C@H]1CN1CCCC1 ZINC000294729423 511159170 /nfs/dbraw/zinc/15/91/70/511159170.db2.gz NGNVTKAZKDOQCR-INIZCTEOSA-N 0 3 369.425 2.685 20 5 FFBDHN O=S1(=O)CC[C@](O)(CNCc2c3ccccc3cc3ccccc32)C1 ZINC000294840430 511196164 /nfs/dbraw/zinc/19/61/64/511196164.db2.gz RBUNTQRPCLPGKH-FQEVSTJZSA-N 0 3 355.459 2.632 20 5 FFBDHN CN1CCC(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000279810367 511223689 /nfs/dbraw/zinc/22/36/89/511223689.db2.gz XGFCEEOYCDZHKY-UHFFFAOYSA-N 0 3 360.336 2.507 20 5 FFBDHN COC(=O)[C@@H]1CCO[C@H]1C1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000298306341 511241453 /nfs/dbraw/zinc/24/14/53/511241453.db2.gz PXAGEVLTKUUUAU-XWIAVFTESA-N 0 3 362.426 2.946 20 5 FFBDHN CCN(Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000362852293 511251566 /nfs/dbraw/zinc/25/15/66/511251566.db2.gz PTQMKMVZWUNDKC-WBVHZDCISA-N 0 3 357.458 2.986 20 5 FFBDHN CC(C)c1ccc(CN2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000365133720 511276631 /nfs/dbraw/zinc/27/66/31/511276631.db2.gz DLPGHEPLOYVIKQ-WMZOPIPTSA-N 0 3 358.442 2.660 20 5 FFBDHN C[C@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCN(C2CC2)C1 ZINC000295422045 511400094 /nfs/dbraw/zinc/40/00/94/511400094.db2.gz UBMWVALXNKRCLM-CYBMUJFWSA-N 0 3 356.426 2.561 20 5 FFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000333984594 511413923 /nfs/dbraw/zinc/41/39/23/511413923.db2.gz CERYVZBOLRYYJN-ONGXEEELSA-N 0 3 370.247 2.878 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)CCN1C ZINC000334042152 511435856 /nfs/dbraw/zinc/43/58/56/511435856.db2.gz GXXHGVMEUPLHPR-VHSXEESVSA-N 0 3 356.220 2.570 20 5 FFBDHN CC[C@H](C)N1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000295995919 511582026 /nfs/dbraw/zinc/58/20/26/511582026.db2.gz KILACDIRDPMJGT-QWHCGFSZSA-N 0 3 368.865 2.991 20 5 FFBDHN C[C@@H](NCc1cccc(CN2CCOCC2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284067026 511593394 /nfs/dbraw/zinc/59/33/94/511593394.db2.gz LDPLCPILNPHMBN-OAHLLOKOSA-N 0 3 370.453 2.860 20 5 FFBDHN CN1CC[C@@]2(CCN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)C2)C1 ZINC000292437241 511597179 /nfs/dbraw/zinc/59/71/79/511597179.db2.gz WPVOPACLBMFAHN-GOSISDBHSA-N 0 3 372.450 2.886 20 5 FFBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](N2CCCC2)C1 ZINC000363690107 511705833 /nfs/dbraw/zinc/70/58/33/511705833.db2.gz HQZONJKXAXGAHB-BBRMVZONSA-N 0 3 357.414 2.876 20 5 FFBDHN C[C@H](N[C@H]1CCN(C)[C@H]1c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000284417803 511714995 /nfs/dbraw/zinc/71/49/95/511714995.db2.gz XRQWWNJLTSHVJB-FNHZYXHNSA-N 0 3 368.437 2.957 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC=C(c3ccc(Cl)cc3)CC2)c1 ZINC000365934632 511736786 /nfs/dbraw/zinc/73/67/86/511736786.db2.gz RBVVXWWKKJAMAZ-QGZVFWFLSA-N 0 3 362.817 2.595 20 5 FFBDHN NC(=O)c1ccc(N[C@@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000311246234 511776330 /nfs/dbraw/zinc/77/63/30/511776330.db2.gz HQSXGEWNZXAWLE-MRXNPFEDSA-N 0 3 354.410 2.770 20 5 FFBDHN CC(C)c1n[nH]c(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000274699452 511913589 /nfs/dbraw/zinc/91/35/89/511913589.db2.gz NFYMDEHIAMSEQR-BLLLJJGKSA-N 0 3 359.430 2.863 20 5 FFBDHN CC(C)N1CCN([C@@H]2CCN(c3ccc([N+](=O)[O-])c4cccnc43)C2)CC1 ZINC000364070867 511942229 /nfs/dbraw/zinc/94/22/29/511942229.db2.gz KIACMAMDNMZNIX-MRXNPFEDSA-N 0 3 369.469 2.748 20 5 FFBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3ccc(-n4cccn4)cc3)CC2)n1 ZINC000369691071 512556205 /nfs/dbraw/zinc/55/62/05/512556205.db2.gz CNMHOOYIQTWYIO-UHFFFAOYSA-N 0 3 352.398 2.814 20 5 FFBDHN C[C@@H]1CN(C[C@@H]2CCCN2CCOc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000374028062 512629743 /nfs/dbraw/zinc/62/97/43/512629743.db2.gz VYVMGPPATCRFJP-ZACQAIPSSA-N 0 3 363.458 2.547 20 5 FFBDHN CCN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000378406449 512743707 /nfs/dbraw/zinc/74/37/07/512743707.db2.gz UONIMWCDACWSTO-ZBFHGGJFSA-N 0 3 371.441 2.626 20 5 FFBDHN O=C(CCN1CC[C@H](OCc2ccncc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000376517406 512854153 /nfs/dbraw/zinc/85/41/53/512854153.db2.gz JNNIWDWPKHTABY-SFHVURJKSA-N 0 3 370.409 2.610 20 5 FFBDHN C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000376636959 512912215 /nfs/dbraw/zinc/91/22/15/512912215.db2.gz NCJFKCGVOAYZBC-RHSMWYFYSA-N 0 3 366.893 2.706 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(CC(=O)NCCN2[C@H](C)CCC[C@@H]2C)c1F ZINC000412055233 512934768 /nfs/dbraw/zinc/93/47/68/512934768.db2.gz OIROXQMASBYIAV-BETUJISGSA-N 0 3 367.421 2.664 20 5 FFBDHN C[C@@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000370446383 512939388 /nfs/dbraw/zinc/93/93/88/512939388.db2.gz CYYYSMVSIASOJN-QAPCUYQASA-N 0 3 369.469 2.605 20 5 FFBDHN N[C@H](CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000417722254 513180260 /nfs/dbraw/zinc/18/02/60/513180260.db2.gz VDRRKGYKKZTXRE-GOSISDBHSA-N 0 3 356.426 2.917 20 5 FFBDHN Cc1nc(N2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000450537584 513240577 /nfs/dbraw/zinc/24/05/77/513240577.db2.gz DZGPVLMVAWHSSJ-IAGOWNOFSA-N 0 3 353.426 2.652 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@]3(CCCc4ccccc43)C2)c1 ZINC000440326299 513293943 /nfs/dbraw/zinc/29/39/43/513293943.db2.gz MGKIUGDNHLQJON-ICSRJNTNSA-N 0 3 370.453 2.522 20 5 FFBDHN CCc1ccccc1[C@H](N)CNC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000415506880 513299498 /nfs/dbraw/zinc/29/94/98/513299498.db2.gz SGUPGQOAHGJTQT-OAHLLOKOSA-N 0 3 358.398 2.987 20 5 FFBDHN C[C@H]1CN(C2CCC2)CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000429370742 513355726 /nfs/dbraw/zinc/35/57/26/513355726.db2.gz FJSMAATWZVLBAN-KXBFYZLASA-N 0 3 372.469 2.506 20 5 FFBDHN C[C@H]1CN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H](C)CN1 ZINC000418085801 513366805 /nfs/dbraw/zinc/36/68/05/513366805.db2.gz AXVBDGYVTBWFCZ-UWVGGRQHSA-N 0 3 360.336 2.505 20 5 FFBDHN CN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(C)(C)CN1CCCC1 ZINC000416097846 513570532 /nfs/dbraw/zinc/57/05/32/513570532.db2.gz GIFVPAVDFXNDGE-UHFFFAOYSA-N 0 3 371.441 2.727 20 5 FFBDHN CN(C)[C@@H](CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000416228596 513659975 /nfs/dbraw/zinc/65/99/75/513659975.db2.gz YSPMYMNHBONRBL-KRWDZBQOSA-N 0 3 371.441 2.648 20 5 FFBDHN Cc1cc(OCC(=O)N[C@H](C)CN(C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000430802688 513752210 /nfs/dbraw/zinc/75/22/10/513752210.db2.gz OEYQDXTXTHPSFR-MRXNPFEDSA-N 0 3 371.437 2.919 20 5 FFBDHN COc1ccc(NC(=O)[C@H](C)N2CCNCc3ccccc32)c([N+](=O)[O-])c1 ZINC000430960901 513792944 /nfs/dbraw/zinc/79/29/44/513792944.db2.gz AMHWHQSEFCDVBY-ZDUSSCGKSA-N 0 3 370.409 2.540 20 5 FFBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CCCC[C@@H]1C ZINC000448699176 513852754 /nfs/dbraw/zinc/85/27/54/513852754.db2.gz SMHIYWVZXWZRMW-LSDHHAIUSA-N 0 3 371.441 2.773 20 5 FFBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CCC[C@@H](C)C1 ZINC000448706582 513856353 /nfs/dbraw/zinc/85/63/53/513856353.db2.gz ZIGMNKISNLXKOM-CABCVRRESA-N 0 3 371.441 2.631 20 5 FFBDHN CC(C)C[C@@H](CN1CCCC1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000451654922 513891425 /nfs/dbraw/zinc/89/14/25/513891425.db2.gz WPDONHWFNKFJKT-INIZCTEOSA-N 0 3 369.487 2.525 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431495425 513911907 /nfs/dbraw/zinc/91/19/07/513911907.db2.gz JHIWEFPKLPDWEY-OTYXRUKQSA-N 0 3 368.231 2.570 20 5 FFBDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451770861 513969707 /nfs/dbraw/zinc/96/97/07/513969707.db2.gz FPNUBGTWSLHBHC-NEPJUHHUSA-N 0 3 369.805 2.508 20 5 FFBDHN CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCN(C2CC2)C1 ZINC000431942251 514047200 /nfs/dbraw/zinc/04/72/00/514047200.db2.gz YWTPKNIYHBOLEB-ZDUSSCGKSA-N 0 3 368.231 2.666 20 5 FFBDHN CC1(C)CCCN[C@@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000423226387 514085467 /nfs/dbraw/zinc/08/54/67/514085467.db2.gz QNDFRCJDSNDDQW-QGZVFWFLSA-N 0 3 361.442 2.743 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2noc(CN3CCNC[C@H]3c3ccccc3)n2)cc1 ZINC000420399378 514131617 /nfs/dbraw/zinc/13/16/17/514131617.db2.gz HMXWSACKIOKEFE-KRWDZBQOSA-N 0 3 365.393 2.791 20 5 FFBDHN CN(C)C(=O)CCN1CCC(Nc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000432312788 514156980 /nfs/dbraw/zinc/15/69/80/514156980.db2.gz IGRYRGDYSQRUDY-UHFFFAOYSA-N 0 3 354.838 2.603 20 5 FFBDHN CC(C)[C@@H](CNc1ccnc2c1cccc2[N+](=O)[O-])N1CCN(C)CC1 ZINC000432334167 514163119 /nfs/dbraw/zinc/16/31/19/514163119.db2.gz JELVQILGJNZKMC-GOSISDBHSA-N 0 3 357.458 2.827 20 5 FFBDHN C[C@H](NC(=O)NCCCNCc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000417125231 514180855 /nfs/dbraw/zinc/18/08/55/514180855.db2.gz BDHBBXOBKRJKMA-AWEZNQCLSA-N 0 3 357.414 2.530 20 5 FFBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000423605966 514181415 /nfs/dbraw/zinc/18/14/15/514181415.db2.gz HUZRXYDZNMAPBP-LSDHHAIUSA-N 0 3 355.394 2.560 20 5 FFBDHN COc1cc(C[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)c([N+](=O)[O-])cc1[O-] ZINC000449543596 514248657 /nfs/dbraw/zinc/24/86/57/514248657.db2.gz TXBPGSCOIYIEIU-PBHICJAKSA-N 0 3 359.382 2.714 20 5 FFBDHN CS(=O)(=O)CC1(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417308789 514287871 /nfs/dbraw/zinc/28/78/71/514287871.db2.gz IJAOVAFMELKIIB-MRXNPFEDSA-N 0 3 352.456 2.777 20 5 FFBDHN Cc1cc(Br)ccc1CN(C)CCn1ccc([N+](=O)[O-])n1 ZINC000444708069 514299814 /nfs/dbraw/zinc/29/98/14/514299814.db2.gz YVCNEZIUWGEEFY-UHFFFAOYSA-N 0 3 353.220 2.994 20 5 FFBDHN O=C(Nc1nc(C2CC[NH2+]CC2)cs1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000423977308 514317888 /nfs/dbraw/zinc/31/78/88/514317888.db2.gz IEGMVJLNWMHROE-UHFFFAOYSA-N 0 3 372.410 2.647 20 5 FFBDHN CC[NH+](CC)CCOc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000444852775 514351069 /nfs/dbraw/zinc/35/10/69/514351069.db2.gz DBXCAAUXUUQFNP-UHFFFAOYSA-N 0 3 374.397 2.668 20 5 FFBDHN CCOC(=O)[C@@]1(COC)CCCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000439484835 514562950 /nfs/dbraw/zinc/56/29/50/514562950.db2.gz FTFLJRHNYIJMST-KDOFPFPSSA-N 0 3 350.415 2.948 20 5 FFBDHN COCCN1CCC(Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000450279777 514578885 /nfs/dbraw/zinc/57/88/85/514578885.db2.gz WFFFVSWSYJDHHK-UHFFFAOYSA-N 0 3 362.455 2.663 20 5 FFBDHN CCCN(CCN(CC)CC)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000461354381 514579663 /nfs/dbraw/zinc/57/96/63/514579663.db2.gz QIDBOFFSRWAOFC-UHFFFAOYSA-N 0 3 362.474 2.538 20 5 FFBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000470964748 514695764 /nfs/dbraw/zinc/69/57/64/514695764.db2.gz AZNMHIGYGXBUQM-HNNXBMFYSA-N 0 3 361.442 2.988 20 5 FFBDHN CN(C)CC1(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCC1 ZINC000466580343 514699913 /nfs/dbraw/zinc/69/99/13/514699913.db2.gz CWOXQEGDXOCJSZ-UHFFFAOYSA-N 0 3 360.439 2.932 20 5 FFBDHN CN(C)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1F ZINC000458323762 514709870 /nfs/dbraw/zinc/70/98/70/514709870.db2.gz RVUFKOLZQJEKKN-UHFFFAOYSA-N 0 3 353.375 2.988 20 5 FFBDHN C[C@@H](NCCCN1C(=O)NC2(CCCC2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000480149091 514855482 /nfs/dbraw/zinc/85/54/82/514855482.db2.gz VGMLNQFKOZIKQI-CYBMUJFWSA-N 0 3 360.414 2.500 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000467018943 514865253 /nfs/dbraw/zinc/86/52/53/514865253.db2.gz QXCAQBIOZZFGKK-ABAIWWIYSA-N 0 3 372.450 2.931 20 5 FFBDHN O=[N+]([O-])c1cc(F)ccc1NCCCN1CCN(c2ccncc2)CC1 ZINC000498645320 515008366 /nfs/dbraw/zinc/00/83/66/515008366.db2.gz VUGDIMKVLPMERY-UHFFFAOYSA-N 0 3 359.405 2.753 20 5 FFBDHN NC(=O)c1ccc(CN[C@H]2CCC[C@H]2OCc2ccccc2)c([N+](=O)[O-])c1 ZINC000503523321 515066412 /nfs/dbraw/zinc/06/64/12/515066412.db2.gz PBHJWVXYQYHQGK-PKOBYXMFSA-N 0 3 369.421 2.921 20 5 FFBDHN CCc1cc(N[C@@H]2CCN(C)[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000462885089 515281915 /nfs/dbraw/zinc/28/19/15/515281915.db2.gz TWJLISKVLYLTLJ-CZUORRHYSA-N 0 3 355.442 2.931 20 5 FFBDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1ccc([N+](=O)[O-])c(N)c1F ZINC000486040709 515308449 /nfs/dbraw/zinc/30/84/49/515308449.db2.gz ZSRLGVNSSXYVHL-UGSOOPFHSA-N 0 3 359.405 2.840 20 5 FFBDHN C[C@H]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000463072974 515359057 /nfs/dbraw/zinc/35/90/57/515359057.db2.gz XRMWKVZCZJRTED-HNNXBMFYSA-N 0 3 368.437 2.795 20 5 FFBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N(C)C ZINC000481740406 515448927 /nfs/dbraw/zinc/44/89/27/515448927.db2.gz KHZNJGVIKROBLC-CQSZACIVSA-N 0 3 356.426 2.887 20 5 FFBDHN CCOc1cc(N2CCN(CCC(C)(C)OC)CC2)ccc1[N+](=O)[O-] ZINC000481768678 515458550 /nfs/dbraw/zinc/45/85/50/515458550.db2.gz QYSQEBIXRAHYLH-UHFFFAOYSA-N 0 3 351.447 2.931 20 5 FFBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H](c1ccco1)N(C)C ZINC000499973421 515542149 /nfs/dbraw/zinc/54/21/49/515542149.db2.gz BZSXMPHKRGDWNA-XJKSGUPXSA-N 0 3 360.414 2.797 20 5 FFBDHN C[C@H](N[C@H]1CCC[C@]1(C)CO)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000493526137 515637863 /nfs/dbraw/zinc/63/78/63/515637863.db2.gz MTLGHWFUDHJMBA-JMPLFQLZSA-N 0 3 355.822 2.716 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454677843 515659306 /nfs/dbraw/zinc/65/93/06/515659306.db2.gz GSYVBMYKEZTMAD-OGWOLHLISA-N 0 3 372.469 2.967 20 5 FFBDHN C[C@H]1[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000494045868 515717800 /nfs/dbraw/zinc/71/78/00/515717800.db2.gz CNRPIDYKQMBXLO-KXBFYZLASA-N 0 3 369.421 2.753 20 5 FFBDHN C[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000487092475 515756403 /nfs/dbraw/zinc/75/64/03/515756403.db2.gz JJMOSGMDFPFHSB-QAPCUYQASA-N 0 3 369.469 2.605 20 5 FFBDHN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000478533688 515860927 /nfs/dbraw/zinc/86/09/27/515860927.db2.gz GKIMNYZCISDFSD-FUHWJXTLSA-N 0 3 368.437 2.611 20 5 FFBDHN COc1cc(CNC[C@](C)(O)C(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000494667018 515915726 /nfs/dbraw/zinc/91/57/26/515915726.db2.gz RRZFVHMDRAICEI-INIZCTEOSA-N 0 3 362.373 2.744 20 5 FFBDHN C[C@@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)N1CCC[C@H](C)C1 ZINC000511471400 515917691 /nfs/dbraw/zinc/91/76/91/515917691.db2.gz AORYDJHUBHUQQH-HOTGVXAUSA-N 0 3 362.474 2.899 20 5 FFBDHN Cc1cccc(CN(CCN(C)C)C(=O)CNc2ccccc2[N+](=O)[O-])c1 ZINC000487650780 515933897 /nfs/dbraw/zinc/93/38/97/515933897.db2.gz XGBKCNFHYWRVKL-UHFFFAOYSA-N 0 3 370.453 2.906 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000474423750 516039505 /nfs/dbraw/zinc/03/95/05/516039505.db2.gz AAYGHGSGNPQDOL-HNNXBMFYSA-N 0 3 370.409 2.999 20 5 FFBDHN CCCN(CCN1CCN(CC)CC1)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000487999592 516072290 /nfs/dbraw/zinc/07/22/90/516072290.db2.gz MZHKRMKSLYOVCS-UHFFFAOYSA-N 0 3 371.485 2.997 20 5 FFBDHN C[C@H]1C[C@H](C)CN(C(C)(C)CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000507277838 516151490 /nfs/dbraw/zinc/15/14/90/516151490.db2.gz JGGWYGGGFTXTCZ-KBPBESRZSA-N 0 3 369.487 2.630 20 5 FFBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@@](C)(O)C(=O)OC(C)(C)C ZINC000470208904 516173148 /nfs/dbraw/zinc/17/31/48/516173148.db2.gz VFHWQLZGARFALB-YVJSUPCUSA-N 0 3 350.415 2.680 20 5 FFBDHN COc1ccc(-c2ccc(CN[C@H](C)Cn3cncn3)o2)c([N+](=O)[O-])c1 ZINC000517550048 516360082 /nfs/dbraw/zinc/36/00/82/516360082.db2.gz OXMATGORWBWMSO-GFCCVEGCSA-N 0 3 357.370 2.633 20 5 FFBDHN CC[C@@H]1CN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C[C@H](C)S1(=O)=O ZINC000557751241 516420188 /nfs/dbraw/zinc/42/01/88/516420188.db2.gz QURJNVNDZGXWRU-GXTWGEPZSA-N 0 3 363.439 2.853 20 5 FFBDHN NC(=O)c1cccc(NC[C@H]2CCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000561232495 516467913 /nfs/dbraw/zinc/46/79/13/516467913.db2.gz VSWUYTFRGNFWMM-OAHLLOKOSA-N 0 3 354.410 2.770 20 5 FFBDHN COc1ccc(C2(NC[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000540360077 516525569 /nfs/dbraw/zinc/52/55/69/516525569.db2.gz JJPKZBYLBRJFEB-INIZCTEOSA-N 0 3 358.394 2.622 20 5 FFBDHN C[C@H]1C[C@H]1N1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@@H](C)C1 ZINC000558027893 516558871 /nfs/dbraw/zinc/55/88/71/516558871.db2.gz XFFMFBWSWPJWAP-YZVOILCLSA-N 0 3 370.453 2.738 20 5 FFBDHN CN(CCCN(C)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])Cc1ccco1 ZINC000561437800 516584615 /nfs/dbraw/zinc/58/46/15/516584615.db2.gz ZNSRDCVEAXJZSB-UHFFFAOYSA-N 0 3 371.397 2.795 20 5 FFBDHN C[C@H](CN1CCCCC1)NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000561710880 516727510 /nfs/dbraw/zinc/72/75/10/516727510.db2.gz RZWCKIIVKYDYRY-CQSZACIVSA-N 0 3 373.457 2.792 20 5 FFBDHN CC[C@@H](NC[C@H](O)COc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000531951604 516728578 /nfs/dbraw/zinc/72/85/78/516728578.db2.gz YMXQWHJLVSETPT-DOTOQJQBSA-N 0 3 374.393 2.804 20 5 FFBDHN CCOc1ccc(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000561746952 516744897 /nfs/dbraw/zinc/74/48/97/516744897.db2.gz PKYREHZJSOSVTR-IJEWVQPXSA-N 0 3 361.442 2.796 20 5 FFBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000561762605 516756061 /nfs/dbraw/zinc/75/60/61/516756061.db2.gz PBHBWZFGSKDJHQ-ZQIUZPCESA-N 0 3 363.483 2.876 20 5 FFBDHN COc1ccc(CN(C)C)cc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000540906858 516765906 /nfs/dbraw/zinc/76/59/06/516765906.db2.gz QGGZLJWAWLGFNX-UHFFFAOYSA-N 0 3 373.365 2.646 20 5 FFBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000561823226 516787357 /nfs/dbraw/zinc/78/73/57/516787357.db2.gz QNABLCJCKLFNGC-WCQYABFASA-N 0 3 353.369 2.501 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1CNCCNc1ccc(-c2ccccc2)nn1 ZINC000544612849 516835974 /nfs/dbraw/zinc/83/59/74/516835974.db2.gz XWDYPIIFEPZNFB-UHFFFAOYSA-N 0 3 363.421 2.984 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCCCN2CCC(C)CC2)c1 ZINC000544659791 516860647 /nfs/dbraw/zinc/86/06/47/516860647.db2.gz GNHQUMQMZDZMMA-UHFFFAOYSA-N 0 3 369.487 2.612 20 5 FFBDHN Cc1ccc(NCCCN2CCN(c3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000514213268 516905687 /nfs/dbraw/zinc/90/56/87/516905687.db2.gz FKGAIPBFMWPGDE-UHFFFAOYSA-N 0 3 355.442 2.922 20 5 FFBDHN CC(C)c1nc(CCNC[C@@H](O)COc2ccccc2[N+](=O)[O-])cs1 ZINC000514788340 517056644 /nfs/dbraw/zinc/05/66/44/517056644.db2.gz IRPMABWEWQBMJS-CQSZACIVSA-N 0 3 365.455 2.747 20 5 FFBDHN Cc1ccc(NC(=O)c2ccc(N3CC(N(C)C)C3)c([N+](=O)[O-])c2)cc1 ZINC000537190571 517078628 /nfs/dbraw/zinc/07/86/28/517078628.db2.gz NRVTUQUHHLPZET-UHFFFAOYSA-N 0 3 354.410 2.906 20 5 FFBDHN O=C(NC[C@@H]1CCCCN1C1CC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000555808198 517135077 /nfs/dbraw/zinc/13/50/77/517135077.db2.gz FFZYLVNDIFMHGK-INIZCTEOSA-N 0 3 358.442 2.679 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H](O)[C@H]3CCOC3)o2)c(Cl)c1 ZINC000537315448 517140391 /nfs/dbraw/zinc/14/03/91/517140391.db2.gz SCWNWGQHRABOPJ-ZBEGNZNMSA-N 0 3 366.801 2.995 20 5 FFBDHN COc1ccc(CN(C)C)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000515030453 517176716 /nfs/dbraw/zinc/17/67/16/517176716.db2.gz IFVNLALVVQHRAS-UHFFFAOYSA-N 0 3 359.382 2.683 20 5 FFBDHN CCCN1CCC(N(C)S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)CC1 ZINC000541825262 517234626 /nfs/dbraw/zinc/23/46/26/517234626.db2.gz YUPZQTUENXOEFY-UHFFFAOYSA-N 0 3 369.487 2.707 20 5 FFBDHN CCOc1cc(NCCCN2CCC(C(=O)OC)CC2)ccc1[N+](=O)[O-] ZINC000545474202 517256165 /nfs/dbraw/zinc/25/61/65/517256165.db2.gz GNMOJAKMYXNZAG-UHFFFAOYSA-N 0 3 365.430 2.681 20 5 FFBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000559467634 517271154 /nfs/dbraw/zinc/27/11/54/517271154.db2.gz SGJRPMLTJQVSGL-OALUTQOASA-N 0 3 364.442 2.792 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)n1 ZINC000541935056 517299651 /nfs/dbraw/zinc/29/96/51/517299651.db2.gz BPAXRBXKUCJQLU-DLBZAZTESA-N 0 3 356.426 2.654 20 5 FFBDHN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC[C@H]1CN1CCCC1 ZINC000541943096 517302912 /nfs/dbraw/zinc/30/29/12/517302912.db2.gz OWNJVNHWWSGTPM-ZDUSSCGKSA-N 0 3 369.368 2.897 20 5 FFBDHN CCOc1ccc([C@H](C)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000537984515 517425528 /nfs/dbraw/zinc/42/55/28/517425528.db2.gz XRQAKEZRYUZVEX-NWANDNLSSA-N 0 3 370.471 3.000 20 5 FFBDHN C[C@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@H](C)S1 ZINC000533428222 517458412 /nfs/dbraw/zinc/45/84/12/517458412.db2.gz HORTZZVBUADNPY-RYUDHWBXSA-N 0 3 351.428 2.719 20 5 FFBDHN CN(C)c1nccc(CN[C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000538409842 517608877 /nfs/dbraw/zinc/60/88/77/517608877.db2.gz YWTVFSXTNICNCT-WMLDXEAASA-N 0 3 355.442 2.952 20 5 FFBDHN C[C@@]1(Cc2cccc(F)c2)CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000563069199 517632113 /nfs/dbraw/zinc/63/21/13/517632113.db2.gz SDAMWJBTHGWBAT-IBGZPJMESA-N 0 3 359.401 2.993 20 5 FFBDHN CC(C)(C)N1CCCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000533905643 517663250 /nfs/dbraw/zinc/66/32/50/517663250.db2.gz YUKWGQJHQXWEMS-UHFFFAOYSA-N 0 3 358.442 2.951 20 5 FFBDHN CNC(=O)COc1cccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000556898455 517735261 /nfs/dbraw/zinc/73/52/61/517735261.db2.gz KXFOSOVWFDOMRP-AWEZNQCLSA-N 0 3 357.410 2.879 20 5 FFBDHN Cc1cccc(OC[C@@H](C)NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000516562954 517744533 /nfs/dbraw/zinc/74/45/33/517744533.db2.gz KJGIAQZLALVFEY-NVXWUHKLSA-N 0 3 360.410 2.700 20 5 FFBDHN COc1ccc(NC(=O)NC[C@H](C)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000542959611 517838635 /nfs/dbraw/zinc/83/86/35/517838635.db2.gz VIOMGELOSSVDPG-ZDUSSCGKSA-N 0 3 350.419 2.845 20 5 FFBDHN CCN(C[C@H]1CCCN1CC)C(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000560744587 517999487 /nfs/dbraw/zinc/99/94/87/517999487.db2.gz PBHOZWWDXVQOGI-CYBMUJFWSA-N 0 3 367.421 2.618 20 5 FFBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000534768878 518028212 /nfs/dbraw/zinc/02/82/12/518028212.db2.gz LUYJYNDOGYSKRB-GOSISDBHSA-N 0 3 368.437 2.561 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCCOc1ccc(Cl)cc1 ZINC000563649213 518045893 /nfs/dbraw/zinc/04/58/93/518045893.db2.gz HBFDGLDHTVPZQN-AWEZNQCLSA-N 0 3 366.801 2.657 20 5 FFBDHN CC(C)Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])nn2C)N(C)C)cc1 ZINC000554084089 518054107 /nfs/dbraw/zinc/05/41/07/518054107.db2.gz NDIYBVHQTPVFTA-QGZVFWFLSA-N 0 3 373.457 2.560 20 5 FFBDHN CN(C)CCOc1ccc(CNc2ncnc3cccc([N+](=O)[O-])c32)cc1 ZINC000543451010 518099334 /nfs/dbraw/zinc/09/93/34/518099334.db2.gz NDCKUNMOBRVLFT-UHFFFAOYSA-N 0 3 367.409 2.512 20 5 FFBDHN O=C(N[C@@H](CO)CN1CCCCC1)c1cc2ccccc2c2cccnc12 ZINC000572636445 518289163 /nfs/dbraw/zinc/28/91/63/518289163.db2.gz LHJJLOCMWHCAMR-QGZVFWFLSA-N 0 3 363.461 2.965 20 5 FFBDHN CC(=O)c1ccc(NCc2ccncc2OCCN(C)C)c([N+](=O)[O-])c1 ZINC000570309080 518545221 /nfs/dbraw/zinc/54/52/21/518545221.db2.gz FKUKZVWCMZENPU-UHFFFAOYSA-N 0 3 358.398 2.745 20 5 FFBDHN COc1cc(CNCCc2ccc3c[nH]nc3c2)c([N+](=O)[O-])cc1OC ZINC000585743431 518582527 /nfs/dbraw/zinc/58/25/27/518582527.db2.gz MVYRMXCMFCFUSK-UHFFFAOYSA-N 0 3 356.382 2.821 20 5 FFBDHN CC(C)[C@@H]1CN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C2CC2)CCN1C ZINC000576591283 518667583 /nfs/dbraw/zinc/66/75/83/518667583.db2.gz IIEPIGDCJODLFH-KRWDZBQOSA-N 0 3 370.457 2.965 20 5 FFBDHN CCCc1n[nH]c(C(=O)NC[C@H](N[C@H](C)CC)c2ccco2)c1[N+](=O)[O-] ZINC000588766973 518825175 /nfs/dbraw/zinc/82/51/75/518825175.db2.gz RFPAZYPMKWCXKR-YPMHNXCESA-N 0 3 363.418 2.723 20 5 FFBDHN O=[N+]([O-])c1ccc(NCCN2CCCCCC2)c(F)c1N1CCOCC1 ZINC000565581063 519027705 /nfs/dbraw/zinc/02/77/05/519027705.db2.gz NPLZTMOKUIIMQL-UHFFFAOYSA-N 0 3 366.437 2.858 20 5 FFBDHN O=C(NC[C@@H]1CCCCN1CCO)c1cc2ccccc2c2cccnc12 ZINC000583066162 519059479 /nfs/dbraw/zinc/05/94/79/519059479.db2.gz QJIPMBOYDOYRFK-KRWDZBQOSA-N 0 3 363.461 2.965 20 5 FFBDHN Cc1cc(OCC(=O)N2CCCN(CC3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000580414273 519164841 /nfs/dbraw/zinc/16/48/41/519164841.db2.gz ZNKUUQXCBRLQCG-UHFFFAOYSA-N 0 3 361.442 2.616 20 5 FFBDHN COc1cncc(/C=C\CCN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000571758727 519261820 /nfs/dbraw/zinc/26/18/20/519261820.db2.gz UJHZLZVTXFAKMK-OUMXJLHTSA-N 0 3 369.425 2.983 20 5 FFBDHN COc1cncc(/C=C/CCN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000571758725 519261853 /nfs/dbraw/zinc/26/18/53/519261853.db2.gz UJHZLZVTXFAKMK-ICTCPBKTSA-N 0 3 369.425 2.983 20 5 FFBDHN Cc1cc(S(=O)(=O)N(C)CCN(C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000568905363 519276873 /nfs/dbraw/zinc/27/68/73/519276873.db2.gz DQAXLKFWTZOSEM-UHFFFAOYSA-N 0 3 369.487 2.788 20 5 FFBDHN Cc1cc(S(=O)(=O)N(C)C2CCN(C(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000590589189 519278309 /nfs/dbraw/zinc/27/83/09/519278309.db2.gz UIZLWTGPEYDZDX-UHFFFAOYSA-N 0 3 373.450 2.536 20 5 FFBDHN CCCN1CCC(N(C)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000590591953 519278416 /nfs/dbraw/zinc/27/84/16/519278416.db2.gz VXVHLIBZXNWCMI-UHFFFAOYSA-N 0 3 373.450 2.537 20 5 FFBDHN Cc1ccnc([C@H]2CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000580656754 519288658 /nfs/dbraw/zinc/28/86/58/519288658.db2.gz FFVOGGAYXMPJKW-RDJZCZTQSA-N 0 3 357.410 2.527 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCCc3ccccc3C2)cc1 ZINC000590649682 519301996 /nfs/dbraw/zinc/30/19/96/519301996.db2.gz PPPOSXALYCAAGU-QGZVFWFLSA-N 0 3 374.462 2.906 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CN[C@H]1CCO[C@@H](c3ccncc3)C1)OCCO2 ZINC000590660229 519305198 /nfs/dbraw/zinc/30/51/98/519305198.db2.gz QYPYQVGHMLRLBG-DOTOQJQBSA-N 0 3 371.393 2.771 20 5 FFBDHN CC(C)[C@H](CO)[C@@H](NCc1cc2c(cc1[N+](=O)[O-])OCCO2)C(C)C ZINC000590659172 519305908 /nfs/dbraw/zinc/30/59/08/519305908.db2.gz IOHKOYMZFFILNA-KSSFIOAISA-N 0 3 352.431 2.745 20 5 FFBDHN C[C@H]1CSCCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000571854742 519308969 /nfs/dbraw/zinc/30/89/69/519308969.db2.gz HPNMAMRKNWNPGF-GFCCVEGCSA-N 0 3 351.428 2.578 20 5 FFBDHN COC1CCN(CCNc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000590692698 519320003 /nfs/dbraw/zinc/32/00/03/519320003.db2.gz IEAGMEUYCCQGGY-UHFFFAOYSA-N 0 3 362.455 2.663 20 5 FFBDHN O=C(CCNCc1ccnc(OC(F)F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000566129652 519320724 /nfs/dbraw/zinc/32/07/24/519320724.db2.gz HBCUJVKFVVUUTP-UHFFFAOYSA-N 0 3 366.324 2.710 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(N(C)CCCN(C)Cc2ccco2)c1 ZINC000572107514 519446858 /nfs/dbraw/zinc/44/68/58/519446858.db2.gz WWDGPGPPFDFWON-UHFFFAOYSA-N 0 3 361.398 2.933 20 5 FFBDHN Cc1cccc(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)c1[N+](=O)[O-] ZINC000569392199 519526633 /nfs/dbraw/zinc/52/66/33/519526633.db2.gz YJKCKOAZQJSEFB-INIZCTEOSA-N 0 3 355.394 2.722 20 5 FFBDHN COc1cc(CN2CCN3CCC2CC3)c([N+](=O)[O-])cc1OCC(F)F ZINC000569392577 519527493 /nfs/dbraw/zinc/52/74/93/519527493.db2.gz QMLISXHVGUUKES-UHFFFAOYSA-N 0 3 371.384 2.527 20 5 FFBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc(-n2cncn2)c(F)c1 ZINC000581159330 519549474 /nfs/dbraw/zinc/54/94/74/519549474.db2.gz XDDJNOJDDVBRPI-UHFFFAOYSA-N 0 3 355.373 2.989 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CN[C@@H]1CCN(c3ccc(F)cc3)C1)OCCO2 ZINC000591267373 519566956 /nfs/dbraw/zinc/56/69/56/519566956.db2.gz FZZJNEBFJLJOSH-OAHLLOKOSA-N 0 3 373.384 2.874 20 5 FFBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCCN(c2ccncc2)CC1 ZINC000602847996 519924252 /nfs/dbraw/zinc/92/42/52/519924252.db2.gz XCVOOHGKDIIILA-OAHLLOKOSA-N 0 3 369.425 2.529 20 5 FFBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000594417294 519953904 /nfs/dbraw/zinc/95/39/04/519953904.db2.gz BKYCBSTXESAQEC-SJORKVTESA-N 0 3 370.409 2.595 20 5 FFBDHN CCn1nc(C)c(CN(C)CCC(=O)Nc2ccccc2[N+](=O)[O-])c1C ZINC000602926004 519976896 /nfs/dbraw/zinc/97/68/96/519976896.db2.gz MUWTWTAHIZOZPJ-UHFFFAOYSA-N 0 3 359.430 2.889 20 5 FFBDHN C[C@@H](CNCc1cc([N+](=O)[O-])ccc1OC(F)F)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594516025 520012629 /nfs/dbraw/zinc/01/26/29/520012629.db2.gz VXXJUSKFSPVCBG-RWMBFGLXSA-N 0 3 373.400 2.784 20 5 FFBDHN Cn1nnc2c1CC[C@H](N[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C2 ZINC000594521170 520013681 /nfs/dbraw/zinc/01/36/81/520013681.db2.gz MIFKWBJSPQNLQO-JXFKEZNVSA-N 0 3 363.421 2.960 20 5 FFBDHN Cc1cccc2c1OCC[C@H]2NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591763494 520028371 /nfs/dbraw/zinc/02/83/71/520028371.db2.gz MWJSKKJOICTHSJ-CRAIPNDOSA-N 0 3 358.394 2.756 20 5 FFBDHN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCNC2(CCCCC2)C1 ZINC000594628967 520060959 /nfs/dbraw/zinc/06/09/59/520060959.db2.gz RWHPZBZJSGDIGK-UHFFFAOYSA-N 0 3 370.409 2.597 20 5 FFBDHN CCOC(=O)Cc1ccc(NC[C@@]2(N(C)C)CCSC2)c([N+](=O)[O-])c1 ZINC000591919399 520086716 /nfs/dbraw/zinc/08/67/16/520086716.db2.gz ZBQWEXCRDDUEOD-KRWDZBQOSA-N 0 3 367.471 2.550 20 5 FFBDHN Cn1cncc1CCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132258 520206693 /nfs/dbraw/zinc/20/66/93/520206693.db2.gz FNFUKSFWSJQSAK-SAABIXHNSA-N 0 3 358.442 2.677 20 5 FFBDHN Cn1cc(CNCCO[C@@H]2CC2(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594970805 520234176 /nfs/dbraw/zinc/23/41/76/520234176.db2.gz NSOPEPQWRHBBFA-CQSZACIVSA-N 0 3 352.341 2.509 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000595010198 520255006 /nfs/dbraw/zinc/25/50/06/520255006.db2.gz IQCMFUSZIIRDHW-ZIAGYGMSSA-N 0 3 357.414 2.713 20 5 FFBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1nc(COC)n[nH]1 ZINC000595071365 520279432 /nfs/dbraw/zinc/27/94/32/520279432.db2.gz XYUMHIQOMCZFLN-NSHDSACASA-N 0 3 351.432 2.520 20 5 FFBDHN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@@H](N2CCCCC2)C1 ZINC000609348047 520289206 /nfs/dbraw/zinc/28/92/06/520289206.db2.gz KCCPEUCBYWTJDJ-MRXNPFEDSA-N 0 3 358.442 2.870 20 5 FFBDHN O=C(NCc1ccccc1[N+](=O)[O-])Nc1ccc([C@H]2CNCCO2)cc1 ZINC000595233772 520365152 /nfs/dbraw/zinc/36/51/52/520365152.db2.gz BCVMDRMGFHMDTF-QGZVFWFLSA-N 0 3 356.382 2.577 20 5 FFBDHN COc1cc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)ccc1[N+](=O)[O-] ZINC000595259162 520376908 /nfs/dbraw/zinc/37/69/08/520376908.db2.gz YKWLKJSLTJVMIY-KRWDZBQOSA-N 0 3 357.366 2.517 20 5 FFBDHN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000595259096 520377070 /nfs/dbraw/zinc/37/70/70/520377070.db2.gz YDKIAKCCLCRKGF-GOSISDBHSA-N 0 3 355.394 2.827 20 5 FFBDHN COc1ccc(OCCN2CCCc3cccc(CN)c32)c([N+](=O)[O-])c1 ZINC000600722902 520425112 /nfs/dbraw/zinc/42/51/12/520425112.db2.gz RRWOJNWFVCKWHD-UHFFFAOYSA-N 0 3 357.410 2.894 20 5 FFBDHN CNc1ccc(C(=O)N[C@H](Cc2ccccc2)CN(C)C)cc1[N+](=O)[O-] ZINC000604191899 520478367 /nfs/dbraw/zinc/47/83/67/520478367.db2.gz BIWGZDVLBAINOH-MRXNPFEDSA-N 0 3 356.426 2.539 20 5 FFBDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000598195941 520486295 /nfs/dbraw/zinc/48/62/95/520486295.db2.gz XEVBWXDBENKFHI-LJQANCHMSA-N 0 3 367.449 2.913 20 5 FFBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000598261340 520525557 /nfs/dbraw/zinc/52/55/57/520525557.db2.gz REKTVEKUGFHLJU-HNNXBMFYSA-N 0 3 361.442 2.794 20 5 FFBDHN CCCN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C1 ZINC000598343159 520566587 /nfs/dbraw/zinc/56/65/87/520566587.db2.gz TWJLOFARBBCURJ-LLVKDONJSA-N 0 3 370.247 2.880 20 5 FFBDHN C[C@@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000604472089 520570069 /nfs/dbraw/zinc/57/00/69/520570069.db2.gz AGQHAOIZLWVDBQ-HNNXBMFYSA-N 0 3 371.441 2.631 20 5 FFBDHN COc1ccc(OCCN(C)[C@@H](CO)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000595596569 520581522 /nfs/dbraw/zinc/58/15/22/520581522.db2.gz OTRSVYLOMUCONR-MRXNPFEDSA-N 0 3 360.410 2.518 20 5 FFBDHN O=[N+]([O-])c1ccc(CNCc2ccc(OCCN3CCOCC3)cc2)cc1 ZINC000601101635 520635910 /nfs/dbraw/zinc/63/59/10/520635910.db2.gz USFDEOMVHMVBRV-UHFFFAOYSA-N 0 3 371.437 2.596 20 5 FFBDHN C[C@H]1CN(c2ccnc3ccc([N+](=O)[O-])cc32)CC[C@@H]1N1CCN(C)CC1 ZINC000601136836 520654272 /nfs/dbraw/zinc/65/42/72/520654272.db2.gz YRCDLALLEADRDE-KXBFYZLASA-N 0 3 369.469 2.605 20 5 FFBDHN COc1ccc(COCCN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000610391527 520663909 /nfs/dbraw/zinc/66/39/09/520663909.db2.gz OZUUDIKUVBKMQG-MRXNPFEDSA-N 0 3 372.425 2.701 20 5 FFBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@@H](CCF)C1 ZINC000595757126 520701989 /nfs/dbraw/zinc/70/19/89/520701989.db2.gz ZPDMVDYFBLCEJE-ZDUSSCGKSA-N 0 3 351.378 2.964 20 5 FFBDHN C[C@H](N[C@H]1CCC[C@@H]1Cc1cnn(C)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595768716 520710992 /nfs/dbraw/zinc/71/09/92/520710992.db2.gz GOZVLGWCLQZWLG-IMJJTQAJSA-N 0 3 371.441 2.656 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](OC(C)C)C1 ZINC000593054903 520711456 /nfs/dbraw/zinc/71/14/56/520711456.db2.gz HQYIOLWWGWBHCH-HNNXBMFYSA-N 0 3 365.430 2.821 20 5 FFBDHN Cc1cc(CN2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)ccn1 ZINC000598604665 520737209 /nfs/dbraw/zinc/73/72/09/520737209.db2.gz PBIFYRNWTFQUCT-UHFFFAOYSA-N 0 3 366.425 2.887 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593128360 520767710 /nfs/dbraw/zinc/76/77/10/520767710.db2.gz GWHKKUNERRLRSK-RDTXWAMCSA-N 0 3 371.412 2.913 20 5 FFBDHN COc1ccc(NC(=O)CCN(C)CC2=CCSC2)c([N+](=O)[O-])c1 ZINC000595888469 520795283 /nfs/dbraw/zinc/79/52/83/520795283.db2.gz MSRMOPMUEASFAR-UHFFFAOYSA-N 0 3 351.428 2.537 20 5 FFBDHN CN(c1ccccc1)c1ccc(CN2CCOC3(CNC3)C2)cc1[N+](=O)[O-] ZINC000596103141 520914328 /nfs/dbraw/zinc/91/43/28/520914328.db2.gz BBINTKFVJKYTDZ-UHFFFAOYSA-N 0 3 368.437 2.537 20 5 FFBDHN CC(C)N1CCN(C2CCN(c3c(Cl)cncc3[N+](=O)[O-])CC2)CC1 ZINC000596180631 520956239 /nfs/dbraw/zinc/95/62/39/520956239.db2.gz WFLZULGVRJLYKO-UHFFFAOYSA-N 0 3 367.881 2.638 20 5 FFBDHN CC(C)(CNCc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)N1CCCC1 ZINC000599007762 520975901 /nfs/dbraw/zinc/97/59/01/520975901.db2.gz PXYIBDKEVBFODY-UHFFFAOYSA-N 0 3 371.384 2.934 20 5 FFBDHN CC(C)[C@H](CNc1ccnc2cc([N+](=O)[O-])ccc21)N1CCN(C)CC1 ZINC000593457268 521006162 /nfs/dbraw/zinc/00/61/62/521006162.db2.gz KGQHDAHGXKLEEO-IBGZPJMESA-N 0 3 357.458 2.827 20 5 FFBDHN CC(C)(C)N1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000596307339 521019153 /nfs/dbraw/zinc/01/91/53/521019153.db2.gz KSMYNZJPLSYSEM-LBPRGKRZSA-N 0 3 355.460 2.531 20 5 FFBDHN O=C(NC[C@H]1CCN(C2CC2)C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599125521 521042941 /nfs/dbraw/zinc/04/29/41/521042941.db2.gz HIFQPJTWKUNSTI-SNVBAGLBSA-N 0 3 368.231 2.571 20 5 FFBDHN CCOC(=O)c1ccnc(N[C@@H]2CCN(C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000596477865 521091592 /nfs/dbraw/zinc/09/15/92/521091592.db2.gz LCVHDQRFZKLGDI-CYBMUJFWSA-N 0 3 362.430 2.985 20 5 FFBDHN C[C@@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])N(C)C1CC1 ZINC000599303528 521138388 /nfs/dbraw/zinc/13/83/88/521138388.db2.gz RBJHTYMXXGFDRP-VIFPVBQESA-N 0 3 356.220 2.570 20 5 FFBDHN CCCN(CCN(C)C)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599341771 521162423 /nfs/dbraw/zinc/16/24/23/521162423.db2.gz LPESTSVNDBPQHM-UHFFFAOYSA-N 0 3 358.236 2.771 20 5 FFBDHN Cc1cnccc1CN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000599370483 521179685 /nfs/dbraw/zinc/17/96/85/521179685.db2.gz IRNGBDSAIQOHTC-UHFFFAOYSA-N 0 3 366.425 2.887 20 5 FFBDHN CCN1CCCC[C@@H]1CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599437758 521224136 /nfs/dbraw/zinc/22/41/36/521224136.db2.gz LXFDJWFJGDSTSG-LLVKDONJSA-N 0 3 370.247 2.962 20 5 FFBDHN O=[N+]([O-])c1ccn(CCN2CCC(Cc3nc(C4CCCC4)no3)CC2)n1 ZINC000599507496 521265839 /nfs/dbraw/zinc/26/58/39/521265839.db2.gz BFGMZUQLCNYJQB-UHFFFAOYSA-N 0 3 374.445 2.787 20 5 FFBDHN CN(CCN1CCCCC1)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000593883445 521270981 /nfs/dbraw/zinc/27/09/81/521270981.db2.gz OBBGJWZLNZMFON-UHFFFAOYSA-N 0 3 357.414 2.543 20 5 FFBDHN COC(=O)[C@](C)(NC[C@@H]1CCCCN1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000599651143 521362142 /nfs/dbraw/zinc/36/21/42/521362142.db2.gz HGTMWXDGPBRPEN-PKOBYXMFSA-N 0 3 363.458 2.836 20 5 FFBDHN CC(C)OC(=O)C[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000594045900 521369913 /nfs/dbraw/zinc/36/99/13/521369913.db2.gz MQDFQHGBGLWGJH-MRXNPFEDSA-N 0 3 365.430 2.514 20 5 FFBDHN CCOc1ccc(NC(=O)CN[C@@H](CC)[C@@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000594044449 521370868 /nfs/dbraw/zinc/37/08/68/521370868.db2.gz QXQYLMVYKXGCFY-YOEHRIQHSA-N 0 3 365.430 2.869 20 5 FFBDHN O=[N+]([O-])c1sc(CN[C@@H]2CCN(CC3CC3)C2)cc1Br ZINC000602564007 521413448 /nfs/dbraw/zinc/41/34/48/521413448.db2.gz KHOUFYXPLHOFMK-SNVBAGLBSA-N 0 3 360.277 2.993 20 5 FFBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000594197195 521462464 /nfs/dbraw/zinc/46/24/64/521462464.db2.gz AXHSBNSJFXCAKB-DLBZAZTESA-N 0 3 372.469 2.942 20 5 FFBDHN O=[N+]([O-])c1sc(CNC[C@@H](CO)c2cccnc2)cc1Br ZINC000602662557 521466148 /nfs/dbraw/zinc/46/61/48/521466148.db2.gz PAOVHKOCQBUQAE-JTQLQIEISA-N 0 3 372.244 2.680 20 5 FFBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594204717 521470125 /nfs/dbraw/zinc/47/01/25/521470125.db2.gz XOKHXFBGRJYQLV-SJLPKXTDSA-N 0 3 369.425 2.527 20 5 FFBDHN Cc1cnc(CCNCc2cc(Br)c([N+](=O)[O-])s2)cn1 ZINC000602688500 521481162 /nfs/dbraw/zinc/48/11/62/521481162.db2.gz SHJHNAYBUUHTMD-UHFFFAOYSA-N 0 3 357.233 2.850 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(c2cccnc2)CC1 ZINC000612113081 521487949 /nfs/dbraw/zinc/48/79/49/521487949.db2.gz YRJQOSFVKGPWSC-QGZVFWFLSA-N 0 3 357.410 2.609 20 5 FFBDHN COc1cccc(OC)c1CNC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602711974 521491045 /nfs/dbraw/zinc/49/10/45/521491045.db2.gz WFXGMKZKXQKSOM-UHFFFAOYSA-N 0 3 372.425 2.766 20 5 FFBDHN C[C@](O)(CO)CNCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000619464226 521581904 /nfs/dbraw/zinc/58/19/04/521581904.db2.gz ATAZVRBKNREGPJ-QGZVFWFLSA-N 0 3 366.801 2.873 20 5 FFBDHN O=[N+]([O-])c1cc(NC[C@H](c2ccco2)[NH+]2CCCC2)ccc1-c1nnn[n-]1 ZINC000823634758 606645268 /nfs/dbraw/zinc/64/52/68/606645268.db2.gz LRBGUNNQQUOEFK-OAHLLOKOSA-N 0 3 369.385 2.617 20 5 FFBDHN C[NH+](C)[C@@H](CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000825848428 607840490 /nfs/dbraw/zinc/84/04/90/607840490.db2.gz CRBIYDREXCWTTR-INIZCTEOSA-N 0 3 359.434 2.697 20 5 FFBDHN O=[N+]([O-])c1ccc(CC[NH2+]C2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826498457 608533324 /nfs/dbraw/zinc/53/33/24/608533324.db2.gz VRYBFPXDHBFQES-UHFFFAOYSA-N 0 3 350.382 2.596 20 5 FFBDHN O=[N+]([O-])c1ccc(CC[NH2+]C2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826498457 608533325 /nfs/dbraw/zinc/53/33/25/608533325.db2.gz VRYBFPXDHBFQES-UHFFFAOYSA-N 0 3 350.382 2.596 20 5 FFBDHN O=[N+]([O-])c1ccc(Cl)cc1CN1CCCN(C[C@H]2CCCO2)CC1 ZINC000746671950 735503712 /nfs/dbraw/zinc/50/37/12/735503712.db2.gz CQITUZMFUPZIBT-MRXNPFEDSA-N 0 3 353.850 2.935 20 5 FFBDHN C[C@H](OC(=O)C1CC[C@@H](C(F)(F)F)NC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000253358397 729625590 /nfs/dbraw/zinc/62/55/90/729625590.db2.gz OREIZJAEHQZNDS-AXTRIDKLSA-N 0 3 360.288 2.656 20 5 FFBDHN CC(C)[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CCN1 ZINC000856484662 730341590 /nfs/dbraw/zinc/34/15/90/730341590.db2.gz GTQYARCXYXCHDT-NSHDSACASA-N 0 3 374.210 2.566 20 5 FFBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000857635688 730403449 /nfs/dbraw/zinc/40/34/49/730403449.db2.gz ZLXIIKCSBPRLBW-LLVKDONJSA-N 0 3 370.247 2.960 20 5 FFBDHN C[C@@H]1CN(CCCCNC(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@@H](C)O1 ZINC000859942401 730469934 /nfs/dbraw/zinc/46/99/34/730469934.db2.gz UCRDVDALUSVBMH-CHWSQXEVSA-N 0 3 369.849 2.867 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1ccns1 ZINC000860053922 730474422 /nfs/dbraw/zinc/47/44/22/730474422.db2.gz CSCIKGNXJWAHTP-SNVBAGLBSA-N 0 3 350.400 2.739 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1ccns1 ZINC000860053921 730474482 /nfs/dbraw/zinc/47/44/82/730474482.db2.gz CSCIKGNXJWAHTP-JTQLQIEISA-N 0 3 350.400 2.739 20 5 FFBDHN CN1CCN(CC2CN(c3c(Cl)c(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000865916484 731010824 /nfs/dbraw/zinc/01/08/24/731010824.db2.gz NDBZHABTKJTMMR-UHFFFAOYSA-N 0 3 359.257 2.585 20 5 FFBDHN CN1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CCC1(C)C ZINC000871155494 731601064 /nfs/dbraw/zinc/60/10/64/731601064.db2.gz SHIKJAWKTUXSBN-UHFFFAOYSA-N 0 3 370.247 2.914 20 5 FFBDHN CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCC1(C)C ZINC000871156309 731601301 /nfs/dbraw/zinc/60/13/01/731601301.db2.gz WBBVXDNCZHXEIW-UHFFFAOYSA-N 0 3 357.357 2.753 20 5 FFBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000872052690 731724455 /nfs/dbraw/zinc/72/44/55/731724455.db2.gz GDXYWVYTFJFZKV-NJZAAPMLSA-N 0 3 367.471 2.603 20 5 FFBDHN CCN1[C@H](C)CN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000878837335 732603023 /nfs/dbraw/zinc/60/30/23/732603023.db2.gz WOQSWADQCZSOOY-TXEJJXNPSA-N 0 3 354.838 2.601 20 5 FFBDHN CCN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000878943488 732619433 /nfs/dbraw/zinc/61/94/33/732619433.db2.gz GTMAWIDEYVWBED-HUUCEWRRSA-N 0 3 361.364 2.587 20 5 FFBDHN COc1ccc(CNC[C@H]2CCC3(CCOCC3)CO2)cc1[N+](=O)[O-] ZINC000883255388 733356563 /nfs/dbraw/zinc/35/65/63/733356563.db2.gz UKFBDLYMKGCOMU-OAHLLOKOSA-N 0 3 350.415 2.669 20 5 FFBDHN CC1(C)C[C@@H](NCC[C@H]2CCCS2(=O)=O)c2cc([N+](=O)[O-])ccc21 ZINC000883308118 733365837 /nfs/dbraw/zinc/36/58/37/733365837.db2.gz IIVZVLYBBJKWBL-CZUORRHYSA-N 0 3 352.456 2.874 20 5 FFBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC[C@H]1CCCS1(=O)=O ZINC000883309862 733366963 /nfs/dbraw/zinc/36/69/63/733366963.db2.gz WCKBJXLNDXDOTE-DGCLKSJQSA-N 0 3 358.485 2.935 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCN2C2CCOCC2)cc1Cl ZINC000885889163 733726528 /nfs/dbraw/zinc/72/65/28/733726528.db2.gz YFJVOXCYXOIXPX-ZDUSSCGKSA-N 0 3 367.833 2.540 20 5 FFBDHN COc1c([O-])ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1[N+](=O)[O-] ZINC000894699874 734902687 /nfs/dbraw/zinc/90/26/87/734902687.db2.gz LQEGBWJLNCSPAL-RBSFLKMASA-N 0 3 350.415 2.825 20 5 FFBDHN COc1c([O-])ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1[N+](=O)[O-] ZINC000894699874 734902688 /nfs/dbraw/zinc/90/26/88/734902688.db2.gz LQEGBWJLNCSPAL-RBSFLKMASA-N 0 3 350.415 2.825 20 5 FFBDHN COc1ccc(CNC[C@@](C)(O)C(F)(F)C(F)(F)F)cc1[N+](=O)[O-] ZINC000899872658 735564219 /nfs/dbraw/zinc/56/42/19/735564219.db2.gz DKPXZDXFAQPXIM-LLVKDONJSA-N 0 3 358.263 2.642 20 5 FFBDHN CC(C)OCCN1CCC(NC(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000747668167 735580008 /nfs/dbraw/zinc/58/00/08/735580008.db2.gz UASULETTWJTHNM-UHFFFAOYSA-N 0 3 366.487 2.771 20 5 FFBDHN COc1cc([C@H](C)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)cc([N+](=O)[O-])c1 ZINC000903120905 736034627 /nfs/dbraw/zinc/03/46/27/736034627.db2.gz PBMBPCFSWNSSJX-RBOXIYTFSA-N 0 3 356.444 2.610 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC1CC(NC(=O)OC(C)(C)C)C1 ZINC000809616482 741322325 /nfs/dbraw/zinc/32/23/25/741322325.db2.gz PGJMDYZTMRXUDP-UHFFFAOYSA-N 0 3 351.403 2.749 20 5 FFBDHN O=[N+]([O-])c1ccc(Cl)cc1CN[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000769802951 737568356 /nfs/dbraw/zinc/56/83/56/737568356.db2.gz XJANLXFJBJVWNM-DOTOQJQBSA-N 0 3 353.850 2.981 20 5 FFBDHN C[C@@H]1CCCN1CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000770295608 737613351 /nfs/dbraw/zinc/61/33/51/737613351.db2.gz ATOLAICYPQGGOC-SNVBAGLBSA-N 0 3 356.220 2.571 20 5 FFBDHN COC(=O)C(C)(C)[C@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000772374292 737806964 /nfs/dbraw/zinc/80/69/64/737806964.db2.gz MNQKSTUPOHHRAD-GOEBONIOSA-N 0 3 350.415 2.539 20 5 FFBDHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=S)NC1CCN(C)CC1 ZINC000920306718 737899271 /nfs/dbraw/zinc/89/92/71/737899271.db2.gz LDLCHELHHVVXDV-UHFFFAOYSA-N 0 3 356.879 2.649 20 5 FFBDHN CC(C)CN1CCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000774634387 738007404 /nfs/dbraw/zinc/00/74/04/738007404.db2.gz GZCQFBOLGJTKIU-UHFFFAOYSA-N 0 3 351.838 2.829 20 5 FFBDHN CC(C)O[C@@]1(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CCOC1 ZINC000922611962 738173272 /nfs/dbraw/zinc/17/32/72/738173272.db2.gz REYCUZHRNZAYDC-MRXNPFEDSA-N 0 3 360.357 2.870 20 5 FFBDHN O=C(OCc1cc([N+](=O)[O-])ccc1Cl)C1CCCN(C2CC2)C1=O ZINC000924059265 738365437 /nfs/dbraw/zinc/36/54/37/738365437.db2.gz WKDWKAHOHOIYCS-ZDUSSCGKSA-N 0 3 352.774 2.692 20 5 FFBDHN C[C@H]1CN(C2CCOCC2)CCN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000784648036 738910119 /nfs/dbraw/zinc/91/01/19/738910119.db2.gz VRVZYPPNFYDFQO-LBPRGKRZSA-N 0 3 362.455 2.894 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000790006687 739405338 /nfs/dbraw/zinc/40/53/38/739405338.db2.gz FYLZXKCXRJAXJX-UHFFFAOYSA-N 0 3 350.396 2.733 20 5 FFBDHN O=C(CN[C@H]1CCOC12CCCC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000934393343 739780507 /nfs/dbraw/zinc/78/05/07/739780507.db2.gz SURFNLZOJFZUGY-AWEZNQCLSA-N 0 3 353.806 2.878 20 5 FFBDHN CC(COC(=O)CCNc1ncc(C(F)(F)F)cc1Cl)[N+](=O)[O-] ZINC000813103561 741677317 /nfs/dbraw/zinc/67/73/17/741677317.db2.gz QLRYOHKHINJQBW-ZETCQYMHSA-N 0 3 355.700 2.764 20 5 FFBDHN COc1ccc(-c2ncc(C(=O)OCC(C)[N+](=O)[O-])s2)cc1OC ZINC000813114032 741678733 /nfs/dbraw/zinc/67/87/33/741678733.db2.gz LELGYVNQWAVOQN-VIFPVBQESA-N 0 3 352.368 2.649 20 5 FFBDHN CC(COC(=O)C[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000813113259 741678943 /nfs/dbraw/zinc/67/89/43/741678943.db2.gz OUPKYVQECHVMEC-RDBSUJKOSA-N 0 3 358.435 2.868 20 5 FFBDHN COc1ccc(OCC(F)(F)C(F)F)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000821166816 742596671 /nfs/dbraw/zinc/59/66/71/742596671.db2.gz HPTMTCHMMJXVKY-MRVPVSSYSA-N 0 3 369.267 2.796 20 5 FFBDHN CC(COC(=O)c1nn(-c2cccc(Cl)c2F)c2c1CCC2)[N+](=O)[O-] ZINC000821167554 742596716 /nfs/dbraw/zinc/59/67/16/742596716.db2.gz TWUCNTMNTGUDLD-VIFPVBQESA-N 0 3 367.764 2.976 20 5 FFBDHN CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(Cc2ccc(Cl)s2)CC1 ZINC001045436867 743273857 /nfs/dbraw/zinc/27/38/57/743273857.db2.gz WXCTXRYQJLJUGR-VXGBXAGGSA-N 0 3 357.863 2.537 20 5 FFBDHN CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000830896421 745447734 /nfs/dbraw/zinc/44/77/34/745447734.db2.gz DVMOFXQZDNWAPO-IRXDYDNUSA-N 0 3 350.802 2.947 20 5 FFBDHN CC(COC(=O)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)[N+](=O)[O-] ZINC000835453776 746016876 /nfs/dbraw/zinc/01/68/76/746016876.db2.gz GLQAMQPBAWRWBA-ABAIWWIYSA-N 0 3 361.316 2.863 20 5 FFBDHN NC(=O)[C@@]1(c2ccccc2)CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000839640391 746878981 /nfs/dbraw/zinc/87/89/81/746878981.db2.gz KWAIYXYYHZBVAR-SFHVURJKSA-N 0 3 359.813 2.877 20 5 FFBDHN CCCN(C)CC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000839864103 746946253 /nfs/dbraw/zinc/94/62/53/746946253.db2.gz NLEDZLRIGWQMMX-ZDUSSCGKSA-N 0 3 351.300 2.795 20 5 FFBDHN COC(=O)[C@@H]1CC[C@H](C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])C1 ZINC000845875355 748341363 /nfs/dbraw/zinc/34/13/63/748341363.db2.gz BLVLAVCWEOLUBP-FJJYHAOUSA-N 0 3 353.346 2.665 20 5 FFBDHN CC([C@@H](OC(=O)Cc1cn(C)nc1Cl)c1ccccc1F)[N+](=O)[O-] ZINC000845879323 748343266 /nfs/dbraw/zinc/34/32/66/748343266.db2.gz IPGLZMUSYSJRCZ-YMTOWFKASA-N 0 3 355.753 2.705 20 5 FFBDHN COC(=O)c1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c[nH]1 ZINC000845884087 748344654 /nfs/dbraw/zinc/34/46/54/748344654.db2.gz XHUQRWGWYRSFLZ-LKFCYVNXSA-N 0 3 350.302 2.504 20 5 FFBDHN C[C@H](CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])N(C)C ZINC000853798173 750167398 /nfs/dbraw/zinc/16/73/98/750167398.db2.gz DARIVURNROHKDU-SECBINFHSA-N 0 3 369.365 2.640 20 5 FFBDHN C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824414157 946697185 /nfs/dbraw/zinc/69/71/85/946697185.db2.gz VSSWUCYRHBDOIY-ZDUSSCGKSA-N 0 3 367.413 2.707 20 5 FFBDHN C[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824414157 946697196 /nfs/dbraw/zinc/69/71/96/946697196.db2.gz VSSWUCYRHBDOIY-ZDUSSCGKSA-N 0 3 367.413 2.707 20 5 FFBDHN C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824414157 946697201 /nfs/dbraw/zinc/69/72/01/946697201.db2.gz VSSWUCYRHBDOIY-ZDUSSCGKSA-N 0 3 367.413 2.707 20 5 FFBDHN C[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824414157 946697207 /nfs/dbraw/zinc/69/72/07/946697207.db2.gz VSSWUCYRHBDOIY-ZDUSSCGKSA-N 0 3 367.413 2.707 20 5 FFBDHN CN(C(=O)CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000135194307 963823045 /nfs/dbraw/zinc/82/30/45/963823045.db2.gz FFLZTWXYFUHBGU-HNNXBMFYSA-N 0 3 369.425 2.529 20 5 FFBDHN C[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1cnn(CC2CCC2)c1 ZINC001176849390 1013795261 /nfs/dbraw/zinc/79/52/61/1013795261.db2.gz MYPZOLWZGSFRJA-YOEHRIQHSA-N 0 3 374.441 2.682 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N(CCN(C)C)Cc2ccccc2F)n1 ZINC001125865690 970761330 /nfs/dbraw/zinc/76/13/30/970761330.db2.gz UDOVHKCVJHWUQJ-UHFFFAOYSA-N 0 3 360.389 2.641 20 5 FFBDHN O=[N+]([O-])c1ccc(NC[C@@]2(O)CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000702628440 990010628 /nfs/dbraw/zinc/01/06/28/990010628.db2.gz LSRAFPLWVSKGCM-SFHVURJKSA-N 0 3 372.381 2.552 20 5 FFBDHN CC1(C)Nc2ccccc2[C@H]1NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923425103 991134694 /nfs/dbraw/zinc/13/46/94/991134694.db2.gz FGXVBQPMEHBCTG-SCLBCKFNSA-N 0 3 357.410 2.870 20 5 FFBDHN O=C(CNC1([C@@H]2CCCCO2)CCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000879733641 1015657856 /nfs/dbraw/zinc/65/78/56/1015657856.db2.gz BASZZQYUBAWYGT-KRWDZBQOSA-N 0 3 359.426 2.565 20 5 FFBDHN COC(=O)c1ncc([N+](=O)[O-])cc1-n1c(-c2ccccc2)cnc1[C@H](C)N ZINC001170688114 995550181 /nfs/dbraw/zinc/55/01/81/995550181.db2.gz SYYDOXWZFOKQSA-NSHDSACASA-N 0 3 367.365 2.649 20 5 FFBDHN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813112179 995625330 /nfs/dbraw/zinc/62/53/30/995625330.db2.gz DCETWBCUGRCXSQ-CQSZACIVSA-N 0 3 359.426 2.998 20 5 FFBDHN CCOc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1OCc1cccnc1 ZINC000813115007 995625390 /nfs/dbraw/zinc/62/53/90/995625390.db2.gz ISPMNPKPDAQNFG-CYBMUJFWSA-N 0 3 360.366 2.881 20 5 FFBDHN Cc1nn(-c2ccccc2)c(C)c1[C@H]1OCC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813114510 995625818 /nfs/dbraw/zinc/62/58/18/995625818.db2.gz SEVJUFUYTLFSBK-IWEFOYFVSA-N 0 3 373.409 2.775 20 5 FFBDHN COc1cc(Cc2noc([C@@H]3CC[C@H](C4CC4)N3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000844918491 998229539 /nfs/dbraw/zinc/22/95/39/998229539.db2.gz VGDAYKPAYPURLK-KGLIPLIRSA-N 0 3 374.397 2.789 20 5 FFBDHN CC(C)(C)N1CC[C@@H]1COC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000845735487 998642021 /nfs/dbraw/zinc/64/20/21/998642021.db2.gz NFDVLYCYIMPAQG-OAHLLOKOSA-N 0 3 358.398 2.810 20 5 FFBDHN CC(C)N1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000769662106 1000572293 /nfs/dbraw/zinc/57/22/93/1000572293.db2.gz KGHZCFKENFNKSL-OAHLLOKOSA-N 0 3 360.458 2.798 20 5 FFBDHN Cc1c([N+](=O)[O-])cc(C(=O)NCCN2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000774579345 1002181412 /nfs/dbraw/zinc/18/14/12/1002181412.db2.gz YBUAGDAACWRFOP-UHFFFAOYSA-N 0 3 364.402 2.663 20 5 FFBDHN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2N(C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000791058120 1002563595 /nfs/dbraw/zinc/56/35/95/1002563595.db2.gz ARQYOVLDJWLOLX-OAHLLOKOSA-N 0 3 364.402 2.662 20 5 FFBDHN CCN(C(C)=O)C1CCN([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170354177 1003121745 /nfs/dbraw/zinc/12/17/45/1003121745.db2.gz HZLYPOHPMCSJQM-CQSZACIVSA-N 0 3 363.458 2.867 20 5 FFBDHN CC(C)(C)C(=O)N1CCC(CNc2cc3c(cc2[N+](=O)[O-])CNC3)CC1 ZINC001170350685 1003135578 /nfs/dbraw/zinc/13/55/78/1003135578.db2.gz PPAIWTINYXFAFH-UHFFFAOYSA-N 0 3 360.458 2.895 20 5 FFBDHN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000804812902 1003859954 /nfs/dbraw/zinc/85/99/54/1003859954.db2.gz MKQZDQKRGJVWIW-OCCSQVGLSA-N 0 3 365.405 2.974 20 5 FFBDHN O=C1CCCN1C[C@@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000776605808 1006116326 /nfs/dbraw/zinc/11/63/26/1006116326.db2.gz ONZDHTGJMCQGKR-RTBURBONSA-N 0 3 369.421 2.582 20 5 FFBDHN C[C@@H](NCc1ccc(Cn2cncn2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815556823 1006682762 /nfs/dbraw/zinc/68/27/62/1006682762.db2.gz GAZPKKMIHPPHLV-CYBMUJFWSA-N 0 3 352.398 2.668 20 5 FFBDHN Cc1cccc(C)c1OC[C@@H](O)CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815565626 1006686463 /nfs/dbraw/zinc/68/64/63/1006686463.db2.gz VIVFPYIFZJFEDW-ZBFHGGJFSA-N 0 3 359.426 2.884 20 5 FFBDHN C[C@@H](NCCNC(=O)c1c(F)cccc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815592852 1006702815 /nfs/dbraw/zinc/70/28/15/1006702815.db2.gz UVKJZDTUIBIEOW-SNVBAGLBSA-N 0 3 364.352 2.536 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(Cc2noc(C[C@@H]3NCc4ccccc43)n2)c1 ZINC000854153402 1006709680 /nfs/dbraw/zinc/70/96/80/1006709680.db2.gz LAWKXOWVASUAJP-INIZCTEOSA-N 0 3 366.377 2.964 20 5 FFBDHN C[C@@H]1[C@H](OC(=O)CCn2cc([N+](=O)[O-])cn2)CCCN1Cc1ccccc1 ZINC000816468350 1007050565 /nfs/dbraw/zinc/05/05/65/1007050565.db2.gz FWSZBMFVKUVYBS-CRAIPNDOSA-N 0 3 372.425 2.778 20 5 FFBDHN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)C[C@@H]2CCCN2C)CC1 ZINC000817492645 1007619968 /nfs/dbraw/zinc/61/99/68/1007619968.db2.gz ZOPZPGZXIZWWGC-KRWDZBQOSA-N 0 3 374.485 2.997 20 5 FFBDHN Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)CN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000855903427 1007630868 /nfs/dbraw/zinc/63/08/68/1007630868.db2.gz PATHUHLIJKGMAW-GFCCVEGCSA-N 0 3 364.402 2.662 20 5 FFBDHN CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000856412862 1007812906 /nfs/dbraw/zinc/81/29/06/1007812906.db2.gz YUKYNUSVQRBPOO-RUJXFNLJSA-N 0 3 373.453 2.710 20 5 FFBDHN CC(C)N(C)Cc1cc(O[C@H]2CCN(c3ncccc3[N+](=O)[O-])C2)ccn1 ZINC000856535234 1007876029 /nfs/dbraw/zinc/87/60/29/1007876029.db2.gz SFNHNXYSPMAIKH-KRWDZBQOSA-N 0 3 371.441 2.883 20 5 FFBDHN C[C@@H](NCCNC(=O)CCCc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000818353191 1007910221 /nfs/dbraw/zinc/91/02/21/1007910221.db2.gz SVWFHAMOPHEKTD-OAHLLOKOSA-N 0 3 370.453 2.967 20 5 FFBDHN CN1C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)[C@@H]2C1 ZINC000819717787 1008218443 /nfs/dbraw/zinc/21/84/43/1008218443.db2.gz LWLZEZJRPHBIFZ-HNAYVOBHSA-N 0 3 372.469 2.751 20 5 FFBDHN COc1cnc(OC2CCN([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC001173236888 1012383498 /nfs/dbraw/zinc/38/34/98/1012383498.db2.gz FWDIKRDGDYRELV-AWEZNQCLSA-N 0 3 372.425 2.868 20 5 FFBDHN O=C(OC1CC(n2cc([N+](=O)[O-])cn2)C1)c1cccc(CN2CCCC2)c1 ZINC000870827993 1012581541 /nfs/dbraw/zinc/58/15/41/1012581541.db2.gz IOTSSDOEUFFKPQ-UHFFFAOYSA-N 0 3 370.409 2.948 20 5 FFBDHN C[C@@H]1[C@@H](NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CCN1C ZINC000928436245 1018977821 /nfs/dbraw/zinc/97/78/21/1018977821.db2.gz BDTMIPRRJYZQNH-KDOFPFPSSA-N 0 3 369.421 2.996 20 5 FFBDHN C[C@]1(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CCN(Cc2ccccc2)C1 ZINC000406048463 1032845857 /nfs/dbraw/zinc/84/58/57/1032845857.db2.gz XCACOWCCZUQMNO-IBGZPJMESA-N 0 3 354.410 2.571 20 5 FFBDHN CC([C@H](OC(=O)C[C@@H]1NC(=O)c2ccccc21)c1ccccc1F)[N+](=O)[O-] ZINC001123018119 1023596456 /nfs/dbraw/zinc/59/64/56/1023596456.db2.gz BKUFRVWTOFGJKI-VOZBZGINSA-N 0 3 372.352 2.950 20 5 FFBDHN CC(COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21)[N+](=O)[O-] ZINC001123042493 1023607667 /nfs/dbraw/zinc/60/76/67/1023607667.db2.gz NDDNAGIUEGEZEG-DGCLKSJQSA-N 0 3 350.371 2.734 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N(CCc1ccccc1)CCN(C)C ZINC000756653172 1023740743 /nfs/dbraw/zinc/74/07/43/1023740743.db2.gz QGDDIWOMLKMTRC-UHFFFAOYSA-N 0 3 371.437 2.850 20 5 FFBDHN CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2CNCCC2(F)F)c1 ZINC001218452985 1033162235 /nfs/dbraw/zinc/16/22/35/1033162235.db2.gz PAXPINCAZFJDIA-ZDUSSCGKSA-N 0 3 358.341 2.926 20 5 FFBDHN O=C(Nc1ccc([C@@H]2CNCCO2)cc1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001122071699 1024318295 /nfs/dbraw/zinc/31/82/95/1024318295.db2.gz YLWSAFAMKIHYAZ-FHWLQOOXSA-N 0 3 367.405 2.998 20 5 FFBDHN CC(C)(C)C(=O)NC[C@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246230731 1025899495 /nfs/dbraw/zinc/89/94/95/1025899495.db2.gz GBAXXMSLKISJGD-RHSMWYFYSA-N 0 3 363.458 2.503 20 5 FFBDHN O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CN(C2CCCCC2)C1 ZINC000838464051 1026372995 /nfs/dbraw/zinc/37/29/95/1026372995.db2.gz KITLLCIOEVQVHJ-UHFFFAOYSA-N 0 3 363.370 2.811 20 5 FFBDHN O=C(NCCC1=CCN(Cc2sccc2Cl)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001160097457 1027588803 /nfs/dbraw/zinc/58/88/03/1027588803.db2.gz JVXLFPYSHGXUQB-TZMCWYRMSA-N 0 3 369.874 2.705 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000248894317 1027873312 /nfs/dbraw/zinc/87/33/12/1027873312.db2.gz SYRLSGNTKNCUSP-CXAGYDPISA-N 0 3 357.385 2.984 20 5 FFBDHN Cc1nn(CN(C)CCCN(C)Cc2ccco2)c2ncc([N+](=O)[O-])cc12 ZINC000795751830 1028092615 /nfs/dbraw/zinc/09/26/15/1028092615.db2.gz KEVQFLKBANUKBN-UHFFFAOYSA-N 0 3 372.429 2.652 20 5 FFBDHN COC(=O)Cc1ccc(-n2c3ccccc3nc2[C@@H](C)N)cc1[N+](=O)[O-] ZINC001162776867 1028651892 /nfs/dbraw/zinc/65/18/92/1028651892.db2.gz FKXKLYCFDZSRNH-LLVKDONJSA-N 0 3 354.366 2.669 20 5 FFBDHN O=[N+]([O-])c1cnc(Cl)nc1N1C[C@H]2[C@@H](CCN2Cc2ccccc2)C1 ZINC001165086699 1029374764 /nfs/dbraw/zinc/37/47/64/1029374764.db2.gz OAJMABLYWAEDDP-ZFWWWQNUSA-N 0 3 359.817 2.749 20 5 FFBDHN O=C(Nc1ncc([N+](=O)[O-])s1)c1ccccc1O[C@H]1CN2CCC1CC2 ZINC001227515812 1035593469 /nfs/dbraw/zinc/59/34/69/1035593469.db2.gz OKTJIYDPCQLTLW-AWEZNQCLSA-N 0 3 374.422 2.777 20 5 FFBDHN CC1(C)CN(Cc2ccccc2)CC[C@@H]1Oc1cc[n+]([O-])cc1[N+](=O)[O-] ZINC001229453000 1036684015 /nfs/dbraw/zinc/68/40/15/1036684015.db2.gz ZHYYLWRETIERTP-SFHVURJKSA-N 0 3 357.410 2.908 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)n1 ZINC001276658580 1039068282 /nfs/dbraw/zinc/06/82/82/1039068282.db2.gz NWYNJAJEHOVYPF-APWZRJJASA-N 0 3 366.421 2.645 20 5 FFBDHN CN(CCNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)Cc1ccccc1 ZINC001252254612 1039465049 /nfs/dbraw/zinc/46/50/49/1039465049.db2.gz FNDXKLBJNHPNOY-UHFFFAOYSA-N 0 3 354.410 2.752 20 5 FFBDHN CCC1=NC2(CCN([C@@H](C)Cc3ccccc3[N+](=O)[O-])CC2)C(=O)N1C ZINC001254570868 1040807501 /nfs/dbraw/zinc/80/75/01/1040807501.db2.gz QGIMRUHSXUIFIC-AWEZNQCLSA-N 0 3 358.442 2.641 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](NCc1cc(OC3CCOCC3)ccn1)C2 ZINC001254587341 1040818680 /nfs/dbraw/zinc/81/86/80/1040818680.db2.gz PIESJCPMMUIDRC-MRXNPFEDSA-N 0 3 369.421 2.805 20 5 FFBDHN CC(C)N(C)Cc1cnc2n1CCN([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254595829 1040824019 /nfs/dbraw/zinc/82/40/19/1040824019.db2.gz NKATXSABTHLIGP-GOSISDBHSA-N 0 3 369.469 2.615 20 5 FFBDHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC001261813687 1041433122 /nfs/dbraw/zinc/43/31/22/1041433122.db2.gz BUKJADFVYSYFFL-MRXNPFEDSA-N 0 3 369.421 2.731 20 5 FFBDHN O=[N+]([O-])c1ccc(F)c(-c2nc(-c3ccc4c(n3)CCNC4)no2)c1F ZINC001215607445 1041837626 /nfs/dbraw/zinc/83/76/26/1041837626.db2.gz OVUVSOCPKBZOHO-UHFFFAOYSA-N 0 3 359.292 2.631 20 5 FFBDHN Cc1cc([N+](=O)[O-])cnc1NCc1cccc(CN2CCN(C)CC2)c1 ZINC001319746782 1045260191 /nfs/dbraw/zinc/26/01/91/1045260191.db2.gz AQESLYJFHXPABT-UHFFFAOYSA-N 0 3 355.442 2.658 20 5 FFBDHN COCC[C@H](CO)NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001325129205 1046385195 /nfs/dbraw/zinc/38/51/95/1046385195.db2.gz RNJHNMCSHYFJNG-GFCCVEGCSA-N 0 3 354.790 2.995 20 5 FFBDHN O=C(NC[C@H]1CCN1C1CCCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001331552415 1047998484 /nfs/dbraw/zinc/99/84/84/1047998484.db2.gz FRJNUOOQOSILLZ-GOSISDBHSA-N 0 3 358.442 2.679 20 5 FFBDHN CC1(C)CCCN(CCNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC001297065001 1050117434 /nfs/dbraw/zinc/11/74/34/1050117434.db2.gz ARGYWLLQLURGGB-UHFFFAOYSA-N 0 3 354.838 2.682 20 5 FFBDHN CCN1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C(C)(C)C1 ZINC001304042378 1051510449 /nfs/dbraw/zinc/51/04/49/1051510449.db2.gz HUJMBKPGDYLARE-CYBMUJFWSA-N 0 3 357.357 2.656 20 5 FFBDHN COc1ccc(CN[C@H]2COc3c(F)cc(F)cc3C2)cc1[N+](=O)[O-] ZINC001308548862 1052467820 /nfs/dbraw/zinc/46/78/20/1052467820.db2.gz KXGZDMHQMHWCOE-CYBMUJFWSA-N 0 3 350.321 2.975 20 5 FFBDHN CC(COC(=O)c1cnn(Cc2ccccc2)c1Br)[N+](=O)[O-] ZINC001346124064 1052758716 /nfs/dbraw/zinc/75/87/16/1052758716.db2.gz SQGCXOPTNNASGC-JTQLQIEISA-N 0 3 368.187 2.516 20 5 FFBDHN O=C(c1ccc2c(c1)OCCNC2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001357485859 1055921985 /nfs/dbraw/zinc/92/19/85/1055921985.db2.gz JSRHBVHSMUMQHA-UHFFFAOYSA-N 0 3 367.405 2.882 20 5 FFBDHN CC(COC(=O)c1nn(-c2ccccc2F)cc1Br)[N+](=O)[O-] ZINC001518342518 1058348492 /nfs/dbraw/zinc/34/84/92/1058348492.db2.gz SVSFLSAMECAFAJ-MRVPVSSYSA-N 0 3 372.150 2.596 20 5 FFBDHN COc1cc(CN(C)C)ccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001451094110 1059083068 /nfs/dbraw/zinc/08/30/68/1059083068.db2.gz PJRBNCUGHHFSEQ-UHFFFAOYSA-N 0 3 374.353 2.826 20 5 FFBDHN CC(COC(=O)CCC(=O)NC(c1ccccc1)c1ccccc1)[N+](=O)[O-] ZINC001515229356 1059445491 /nfs/dbraw/zinc/44/54/91/1059445491.db2.gz HLSJXKANYKXTCK-OAHLLOKOSA-N 0 3 370.405 2.881 20 5 FFBDHN COc1ccc(C[C@@H]2CCN2C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC001459656045 1060788708 /nfs/dbraw/zinc/78/87/08/1060788708.db2.gz OTECNLBVYGBCKH-DLBZAZTESA-N 0 3 372.421 2.660 20 5 FFBDHN CCOC(=O)C[C@@](C)(NCc1cc(C(=O)OC)ccc1[N+](=O)[O-])C(C)C ZINC001459993932 1060868815 /nfs/dbraw/zinc/86/88/15/1060868815.db2.gz HLOCWECQJOOQKW-GOSISDBHSA-N 0 3 366.414 2.839 20 5 FFBDHN C[C@H](CN(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])CC(C)(C)C ZINC001460296179 1060947754 /nfs/dbraw/zinc/94/77/54/1060947754.db2.gz OVCSOJVADHDUAU-AWEZNQCLSA-N 0 3 371.503 2.877 20 5 FFBDHN CCC(CC)[C@@H](CNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C)N(C)C ZINC001475200698 1060995751 /nfs/dbraw/zinc/99/57/51/1060995751.db2.gz LCPGMEKCPOAACS-MRXNPFEDSA-N 0 3 371.503 2.856 20 5 FFBDHN C[C@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCN(C2CC2)C1 ZINC001468522756 1063999667 /nfs/dbraw/zinc/99/96/67/1063999667.db2.gz OJIUODUOSRKDCY-OAHLLOKOSA-N 0 3 357.454 2.959 20 5 FFBDHN CC(C)(C)OC(=O)N[C@H]1CCCCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC001473708445 1065326844 /nfs/dbraw/zinc/32/68/44/1065326844.db2.gz CIJHAPCNIRBNPV-AWEZNQCLSA-N 0 3 367.450 2.561 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@H]1NCc1c(Br)cccc1[N+](=O)[O-] ZINC001474060809 1065449014 /nfs/dbraw/zinc/44/90/14/1065449014.db2.gz BJPMDCKOBHMODW-QMTHXVAHSA-N 0 3 354.248 2.930 20 5 FFBDHN Cc1cc(S(=O)(=O)[N-]CC2([NH+](C)C)CCCCC2)c([N+](=O)[O-])s1 ZINC001474786344 1065606871 /nfs/dbraw/zinc/60/68/71/1065606871.db2.gz SANPWXAIVKSOFA-UHFFFAOYSA-N 0 3 361.489 2.508 20 5 FFBDHN Cc1ccc(S(=O)(=O)NC[C@H](C2CCCCC2)N(C)C)cc1[N+](=O)[O-] ZINC001474825200 1065618242 /nfs/dbraw/zinc/61/82/42/1065618242.db2.gz PAOYZEKPUSZMRZ-QGZVFWFLSA-N 0 3 369.487 2.692 20 5 FFBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC001577476233 1078366319 /nfs/dbraw/zinc/36/63/19/1078366319.db2.gz YWRPCFZZQZKCDO-ZIAGYGMSSA-N 0 3 355.435 2.998 20 5 FFBDHN C[C@@H](NC(=O)Nc1ccc2c(c1)OCCNC2)c1ccc([N+](=O)[O-])cc1 ZINC001579412911 1078627304 /nfs/dbraw/zinc/62/73/04/1078627304.db2.gz CKRNKZJZQORNON-GFCCVEGCSA-N 0 3 356.382 2.960 20 5 FFBDHN NC(=O)c1ccc(CN2CCCC[C@H]2Cc2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC001560217031 1076248046 /nfs/dbraw/zinc/24/80/46/1076248046.db2.gz PIALFCBDRYYIPL-KRWDZBQOSA-N 0 3 369.421 2.997 20 5 FFBDHN COc1c(O)ccc(CN2CCCN3c4ccccc4C[C@@H]3C2)c1[N+](=O)[O-] ZINC001560865203 1076304728 /nfs/dbraw/zinc/30/47/28/1076304728.db2.gz SXVYKOYBZOHRPD-MRXNPFEDSA-N 0 3 369.421 2.946 20 5 FFBDHN C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC001589982320 1080920482 /nfs/dbraw/zinc/92/04/82/1080920482.db2.gz NCUZVKIEXRNVGW-PXAZEXFGSA-N 0 3 367.413 2.878 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[C@@H](n4cncn4)C3)o2)c1 ZINC000106217946 250260297 /nfs/dbraw/zinc/26/02/97/250260297.db2.gz CRUOJNRLMIVQCQ-MRXNPFEDSA-N 0 3 368.397 2.721 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@]1(CO)CCc2ccccc21 ZINC000132486804 251062777 /nfs/dbraw/zinc/06/27/77/251062777.db2.gz OANPWIGPXAEDHX-HXUWFJFHSA-N 0 3 369.421 2.655 20 5 FFBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc(Cl)ccc1Cl ZINC000186753226 251258184 /nfs/dbraw/zinc/25/81/84/251258184.db2.gz ILBXYGXUVMKABB-JOYOIKCWSA-N 0 3 359.213 2.810 20 5 FFBDHN CN1CC[C@H]2CCN(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000272474556 252046987 /nfs/dbraw/zinc/04/69/87/252046987.db2.gz IRGQZQWHUKLYML-BBRMVZONSA-N 0 3 366.849 2.526 20 5 FFBDHN Cc1cc(N2CC[C@H](CN3CCOCC3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272881447 252155275 /nfs/dbraw/zinc/15/52/75/252155275.db2.gz VQVXYNHCLTZCFQ-OAHLLOKOSA-N 0 3 356.426 2.610 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN(CCC(F)(F)F)CC1CC1 ZINC000273390018 252296920 /nfs/dbraw/zinc/29/69/20/252296920.db2.gz UQUBJSMPWOSZDF-ZDUSSCGKSA-N 0 3 362.348 2.999 20 5 FFBDHN CS[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@@H]1N1CCCC1 ZINC000273458048 252310383 /nfs/dbraw/zinc/31/03/83/252310383.db2.gz DWOGRQIHSINWGD-DLBZAZTESA-N 0 3 363.483 2.566 20 5 FFBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(N(C)C)CCC1 ZINC000275996536 256064521 /nfs/dbraw/zinc/06/45/21/256064521.db2.gz OFVXXWILILDLMA-UHFFFAOYSA-N 0 3 367.471 2.547 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1NCc1ccccc1CN1CC[C@@H](O)C1)CCN2 ZINC000278192433 256286050 /nfs/dbraw/zinc/28/60/50/256286050.db2.gz DODJOCLGXUMLKE-MRXNPFEDSA-N 0 3 368.437 2.742 20 5 FFBDHN O=[N+]([O-])c1ccc2[nH]c(NCc3ccccc3CN3CC[C@H](O)C3)nc2c1 ZINC000278431709 256311776 /nfs/dbraw/zinc/31/17/76/256311776.db2.gz JNRGVABUPYHPEM-INIZCTEOSA-N 0 3 367.409 2.650 20 5 FFBDHN C[C@@H]1CN(C2CCOCC2)CCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000278725691 256341841 /nfs/dbraw/zinc/34/18/41/256341841.db2.gz HOXFEFRFSQVENI-GFCCVEGCSA-N 0 3 371.384 2.886 20 5 FFBDHN COCc1nc2n(n1)C[C@H](N[C@H]1CC(C)(C)c3ccc([N+](=O)[O-])cc31)CC2 ZINC000279171563 256389205 /nfs/dbraw/zinc/38/92/05/256389205.db2.gz UUQWUQQZTGTZEZ-WBMJQRKESA-N 0 3 371.441 2.660 20 5 FFBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279266023 256399649 /nfs/dbraw/zinc/39/96/49/256399649.db2.gz JUXOWPVNCDRGDZ-HZMBPMFUSA-N 0 3 357.813 2.728 20 5 FFBDHN CC(C)NC(=O)c1ccc(N2C[C@H](N3CCCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000286447002 257037644 /nfs/dbraw/zinc/03/76/44/257037644.db2.gz SZXMXZFOOUIZGG-GDBMZVCRSA-N 0 3 360.458 2.796 20 5 FFBDHN CCc1nn(C)c(NCc2ccc(OC3CCN(C)CC3)cc2)c1[N+](=O)[O-] ZINC000286397782 257034989 /nfs/dbraw/zinc/03/49/89/257034989.db2.gz JOBMGAVXICWREY-UHFFFAOYSA-N 0 3 373.457 2.976 20 5 FFBDHN Nc1ccc(NC[C@H]2CN(Cc3ccccc3)CCCO2)c([N+](=O)[O-])c1 ZINC000287628064 257099583 /nfs/dbraw/zinc/09/95/83/257099583.db2.gz GZYWZKFBBOMQFA-KRWDZBQOSA-N 0 3 356.426 2.880 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H](c3ccncc3)C2)c1 ZINC000289358053 257276542 /nfs/dbraw/zinc/27/65/42/257276542.db2.gz NVOMIBKVQJTHOR-WMZOPIPTSA-N 0 3 357.410 2.609 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCCN3c4ccccc4C[C@H]3C2)c1 ZINC000289403843 257279190 /nfs/dbraw/zinc/27/91/90/257279190.db2.gz GDZWVQIKPIXANS-AZUAARDMSA-N 0 3 353.422 2.765 20 5 FFBDHN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)CNCCO2 ZINC000291151314 257388003 /nfs/dbraw/zinc/38/80/03/257388003.db2.gz YUPJBLJSZNJLPD-UHFFFAOYSA-N 0 3 356.382 2.518 20 5 FFBDHN C[C@@H]1C[C@@H](C)CN(CCCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000302675420 258107810 /nfs/dbraw/zinc/10/78/10/258107810.db2.gz UDKKXVDKVIBOLG-ZIAGYGMSSA-N 0 3 369.487 2.778 20 5 FFBDHN CN(C)[C@@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)c1cccc(F)c1 ZINC000301584651 258057390 /nfs/dbraw/zinc/05/73/90/258057390.db2.gz AQNOUWOROWBNCY-INIZCTEOSA-N 0 3 374.372 2.780 20 5 FFBDHN CC1(C)CN(c2ccc3ncc([N+](=O)[O-])n3n2)CCN1Cc1ccccc1 ZINC000302009769 258081815 /nfs/dbraw/zinc/08/18/15/258081815.db2.gz VRXUMMFBYBYDHN-UHFFFAOYSA-N 0 3 366.425 2.738 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H]2CCCCN2C[C@@H]1C ZINC000331980676 258208668 /nfs/dbraw/zinc/20/86/68/258208668.db2.gz FHXJGHDTRNFKDV-DOTOQJQBSA-N 0 3 360.458 2.790 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000332082742 258213206 /nfs/dbraw/zinc/21/32/06/258213206.db2.gz OLCIGEBIFYJXOE-HUUCEWRRSA-N 0 3 369.874 2.900 20 5 FFBDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000332317608 258225102 /nfs/dbraw/zinc/22/51/02/258225102.db2.gz VFVXEAXMWFJIQL-HUUCEWRRSA-N 0 3 361.442 2.837 20 5 FFBDHN C[C@@H]1C[C@H](C)CN(C(C)(C)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000064957591 506244233 /nfs/dbraw/zinc/24/42/33/506244233.db2.gz AAVZCHBKOIYPAH-OKILXGFUSA-N 0 3 369.487 2.630 20 5 FFBDHN O=C(Cc1ccccc1[N+](=O)[O-])NCCCN1CCc2ccccc2C1 ZINC000032398959 506248777 /nfs/dbraw/zinc/24/87/77/506248777.db2.gz ROQFGILRUUHHSR-UHFFFAOYSA-N 0 3 353.422 2.702 20 5 FFBDHN Cc1cc(NC(=O)C2CCN(CCOc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000065532557 506318430 /nfs/dbraw/zinc/31/84/30/506318430.db2.gz GDTXWPOOULBAOJ-UHFFFAOYSA-N 0 3 374.397 2.621 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000375320295 512265864 /nfs/dbraw/zinc/26/58/64/512265864.db2.gz QCEKJHQHWPVUJM-IBGZPJMESA-N 0 3 353.378 2.699 20 5 FFBDHN CNC(=O)c1ccc(NC[C@H](C)N2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000053558303 506405396 /nfs/dbraw/zinc/40/53/96/506405396.db2.gz NLIMTSTWTARIQB-AWEZNQCLSA-N 0 3 368.437 2.813 20 5 FFBDHN CNC(=O)c1ccc(NC[C@@H](c2ccc(F)cc2)N(C)C)c([N+](=O)[O-])c1 ZINC000053574758 506408979 /nfs/dbraw/zinc/40/89/79/506408979.db2.gz FJVPEDHXOAFZSR-KRWDZBQOSA-N 0 3 360.389 2.808 20 5 FFBDHN COc1ccc(CC(=O)NCc2cccc(CN(C)C)c2)cc1[N+](=O)[O-] ZINC000067906081 507048508 /nfs/dbraw/zinc/04/85/08/507048508.db2.gz UMYYAPTXFCCFBQ-UHFFFAOYSA-N 0 3 357.410 2.524 20 5 FFBDHN CC1CCN(CCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000047119623 507268072 /nfs/dbraw/zinc/26/80/72/507268072.db2.gz CDHHFMUJZJZPDS-UHFFFAOYSA-N 0 3 374.485 2.659 20 5 FFBDHN C[C@@H](O)CNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000061555118 507620553 /nfs/dbraw/zinc/62/05/53/507620553.db2.gz ZQGCIJNCKFIUAP-CQSZACIVSA-N 0 3 352.394 2.918 20 5 FFBDHN CCN(CC)CCn1c2ccccc2[nH]c1=NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000070754887 507630168 /nfs/dbraw/zinc/63/01/68/507630168.db2.gz WJWAEVAKSVIWGP-UHFFFAOYSA-N 0 3 371.397 2.554 20 5 FFBDHN O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1ccc([N+](=O)[O-])o1 ZINC000373480118 512352430 /nfs/dbraw/zinc/35/24/30/512352430.db2.gz MVAUFDHCFMOFMI-UHFFFAOYSA-N 0 3 361.320 2.723 20 5 FFBDHN C[C@H]1CCCCN1CCCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000089619532 507851029 /nfs/dbraw/zinc/85/10/29/507851029.db2.gz ZPAOEMCYBUDYOS-ZDUSSCGKSA-N 0 3 355.460 2.675 20 5 FFBDHN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@H](N2CCCC2)C1 ZINC000107599928 507858923 /nfs/dbraw/zinc/85/89/23/507858923.db2.gz GMXXXEZEBCFJHZ-INIZCTEOSA-N 0 3 358.442 2.870 20 5 FFBDHN CCN(CCNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])C1CC1 ZINC000078402418 507868687 /nfs/dbraw/zinc/86/86/87/507868687.db2.gz GHKTUWHPLNJRON-UHFFFAOYSA-N 0 3 353.444 2.539 20 5 FFBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000108305871 507886142 /nfs/dbraw/zinc/88/61/42/507886142.db2.gz IRJKUBKZTNWJIQ-RISCZKNCSA-N 0 3 367.833 2.616 20 5 FFBDHN CN(C)[C@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000073491537 507924996 /nfs/dbraw/zinc/92/49/96/507924996.db2.gz VUNVEQRQPRUSFD-SFHVURJKSA-N 0 3 370.453 2.609 20 5 FFBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000073988704 507974574 /nfs/dbraw/zinc/97/45/74/507974574.db2.gz VYWSNFKSNFBQNB-BNOWGMLFSA-N 0 3 367.833 2.711 20 5 FFBDHN COc1cc(C(=O)NC[C@H](C)N(C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000110354008 508022851 /nfs/dbraw/zinc/02/28/51/508022851.db2.gz XCRPOLVMCQTOSR-AWEZNQCLSA-N 0 3 357.410 2.854 20 5 FFBDHN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@H](N2CCCC2)C1 ZINC000110521721 508032290 /nfs/dbraw/zinc/03/22/90/508032290.db2.gz JNRKEMAVVJYTMV-INIZCTEOSA-N 0 3 358.442 2.505 20 5 FFBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN(Cc1ccncc1)C1CC1 ZINC000093221343 508128939 /nfs/dbraw/zinc/12/89/39/508128939.db2.gz UNQVJHYPESXATR-UHFFFAOYSA-N 0 3 368.393 2.952 20 5 FFBDHN C[C@H](c1cccnc1)N(C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000093226769 508129398 /nfs/dbraw/zinc/12/93/98/508129398.db2.gz XSPPZFCKFPRJLT-CYBMUJFWSA-N 0 3 356.382 2.981 20 5 FFBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000076553446 508222993 /nfs/dbraw/zinc/22/29/93/508222993.db2.gz VMTAQQFQWYXACZ-LBPRGKRZSA-N 0 3 359.348 2.772 20 5 FFBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000085407157 508307151 /nfs/dbraw/zinc/30/71/51/508307151.db2.gz NEDLHSYWAYDNOL-YJBOKZPZSA-N 0 3 362.474 2.899 20 5 FFBDHN O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCN1Cc1ccccc1 ZINC000114645145 508333597 /nfs/dbraw/zinc/33/35/97/508333597.db2.gz IRVUOZIOKBUIOW-GOSISDBHSA-N 0 3 369.421 2.754 20 5 FFBDHN CCOC(=O)c1ccnc(NC[C@@H](C)N2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000077928733 508392643 /nfs/dbraw/zinc/39/26/43/508392643.db2.gz ABURXHSMVUAFAU-QWHCGFSZSA-N 0 3 350.419 2.699 20 5 FFBDHN CC1CCN(c2ccc(C(=O)N3CCC[C@H](N(C)C)C3)cc2[N+](=O)[O-])CC1 ZINC000106364811 508399813 /nfs/dbraw/zinc/39/98/13/508399813.db2.gz FGPKYEIRRQHVRY-KRWDZBQOSA-N 0 3 374.485 2.997 20 5 FFBDHN Cc1c(NC(=O)CCN2CC[C@@H](Oc3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000156394577 508413909 /nfs/dbraw/zinc/41/39/09/508413909.db2.gz AXDHNQJZERCPOJ-MRXNPFEDSA-N 0 3 370.409 2.780 20 5 FFBDHN COC(=O)CC1(NCc2ccc(C(C)C)c([N+](=O)[O-])c2)CCOCC1 ZINC000152549331 508468434 /nfs/dbraw/zinc/46/84/34/508468434.db2.gz XNQUMJGIQSWGQP-UHFFFAOYSA-N 0 3 350.415 2.920 20 5 FFBDHN COc1ccc(CN[C@@H](CO)Cc2c[nH]c3ccccc23)cc1[N+](=O)[O-] ZINC000116350115 508501870 /nfs/dbraw/zinc/50/18/70/508501870.db2.gz YVBQAELFABDUAI-OAHLLOKOSA-N 0 3 355.394 2.778 20 5 FFBDHN Cc1ccc(S(=O)(=O)[N-][C@@H](CC[NH+](C)C)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000116372451 508504712 /nfs/dbraw/zinc/50/47/12/508504712.db2.gz RZRJXIORRQZOJI-HNNXBMFYSA-N 0 3 357.476 2.548 20 5 FFBDHN CCCCN1CCCC[C@H]1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000152830337 508522355 /nfs/dbraw/zinc/52/23/55/508522355.db2.gz BQRBWTAAWBILBT-KRWDZBQOSA-N 0 3 369.487 2.669 20 5 FFBDHN COc1cccc(OCCN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000157466895 508569637 /nfs/dbraw/zinc/56/96/37/508569637.db2.gz BCBZEMWTSBWSJI-AWEZNQCLSA-N 0 3 358.398 2.564 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CN1C1CC1 ZINC000123098054 508635811 /nfs/dbraw/zinc/63/58/11/508635811.db2.gz CQSMOVYZORALHT-UKRRQHHQSA-N 0 3 358.442 2.894 20 5 FFBDHN COC[C@H](O)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000153736029 508637984 /nfs/dbraw/zinc/63/79/84/508637984.db2.gz OEESZSGTSNXVPY-GFCCVEGCSA-N 0 3 354.790 2.995 20 5 FFBDHN Cc1nn(C)c(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)c1[N+](=O)[O-] ZINC000129247611 508703249 /nfs/dbraw/zinc/70/32/49/508703249.db2.gz SULRYABJYFMDGD-INIZCTEOSA-N 0 3 371.441 2.512 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CN1C1CC1 ZINC000154241635 508743236 /nfs/dbraw/zinc/74/32/36/508743236.db2.gz IUVIJSUCHKKNRE-HIFRSBDPSA-N 0 3 358.442 2.894 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000137432836 508756107 /nfs/dbraw/zinc/75/61/07/508756107.db2.gz YEOILEHXMYXTIN-NVXWUHKLSA-N 0 3 368.437 2.786 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000119372424 508782477 /nfs/dbraw/zinc/78/24/77/508782477.db2.gz UXUJMHVITOZJOA-CJNGLKHVSA-N 0 3 355.398 2.632 20 5 FFBDHN Cc1c(CC(=O)NCc2ccc(OCCN(C)C)cc2)cccc1[N+](=O)[O-] ZINC000119673173 508841689 /nfs/dbraw/zinc/84/16/89/508841689.db2.gz NZLMZNASNDTROO-UHFFFAOYSA-N 0 3 371.437 2.703 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000119768977 508859403 /nfs/dbraw/zinc/85/94/03/508859403.db2.gz AFZKVOPMXUGHAO-BEFAXECRSA-N 0 3 369.421 2.610 20 5 FFBDHN C[C@H](CN1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000159753199 508885647 /nfs/dbraw/zinc/88/56/47/508885647.db2.gz BHBMEAKMHQNWBE-LLVKDONJSA-N 0 3 370.247 2.962 20 5 FFBDHN CN(C)CCOc1ccccc1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000120043214 508915668 /nfs/dbraw/zinc/91/56/68/508915668.db2.gz VNEITEGLWFXEMH-UHFFFAOYSA-N 0 3 358.398 2.857 20 5 FFBDHN CN(C)c1ccc([N+](=O)[O-])c(OC[C@H](O)CN(C)Cc2ccccc2)c1 ZINC000155536206 509021546 /nfs/dbraw/zinc/02/15/46/509021546.db2.gz YXWBKGMHMVBVIS-QGZVFWFLSA-N 0 3 359.426 2.533 20 5 FFBDHN O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000151682425 509065498 /nfs/dbraw/zinc/06/54/98/509065498.db2.gz CNPIYNWUBYUUSI-QGZVFWFLSA-N 0 3 362.430 2.704 20 5 FFBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)N(C)C1CC1 ZINC000120991998 509104899 /nfs/dbraw/zinc/10/48/99/509104899.db2.gz LWFKQGZWWLSLKE-VIFPVBQESA-N 0 3 356.220 2.570 20 5 FFBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc2c(c1)CNC2 ZINC000188702458 509222262 /nfs/dbraw/zinc/22/22/62/509222262.db2.gz HUZIVSPOXBZKPS-LBPRGKRZSA-N 0 3 357.435 2.995 20 5 FFBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN2CCCC[C@@H]2C1 ZINC000172802762 509245204 /nfs/dbraw/zinc/24/52/04/509245204.db2.gz LLPXYKKWZXEULX-XJKSGUPXSA-N 0 3 357.414 2.876 20 5 FFBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176004333 509269207 /nfs/dbraw/zinc/26/92/07/509269207.db2.gz XBPQWHLJSFMMEP-MFKMUULPSA-N 0 3 370.247 2.770 20 5 FFBDHN COc1cccc(NCc2ccccc2CN2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000185698785 509310058 /nfs/dbraw/zinc/31/00/58/509310058.db2.gz TWIRPYLWBZMSJZ-MRXNPFEDSA-N 0 3 357.410 2.782 20 5 FFBDHN CCCO[C@@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000248454784 509329401 /nfs/dbraw/zinc/32/94/01/509329401.db2.gz KMJBRXNBKHOJHO-HZPDHXFCSA-N 0 3 352.431 2.616 20 5 FFBDHN CN(C)[C@@H]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000182606829 509329946 /nfs/dbraw/zinc/32/99/46/509329946.db2.gz RCCRFCFHKSMMCC-GFCCVEGCSA-N 0 3 357.863 2.893 20 5 FFBDHN O=[N+]([O-])c1ccn(CCN[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000192079573 509336739 /nfs/dbraw/zinc/33/67/39/509336739.db2.gz KXRHUMHYCWCOSD-UKRRQHHQSA-N 0 3 354.769 2.704 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000248719144 509451810 /nfs/dbraw/zinc/45/18/10/509451810.db2.gz CELXJNXCAQZVCB-BLLLJJGKSA-N 0 3 372.400 2.566 20 5 FFBDHN CC(C)c1ccc([C@@H](N)CNC(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000236717600 509489802 /nfs/dbraw/zinc/48/98/02/509489802.db2.gz BRFSDBQGPWKESP-SFHVURJKSA-N 0 3 357.410 2.913 20 5 FFBDHN COc1cccc(N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000186164289 509556161 /nfs/dbraw/zinc/55/61/61/509556161.db2.gz CWFPJCAXKGRMDG-FQEVSTJZSA-N 0 3 371.437 2.677 20 5 FFBDHN O=C(c1cc(N2CC[C@@H](N3CCCCC3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000264538230 509587133 /nfs/dbraw/zinc/58/71/33/509587133.db2.gz AFGNRCFJRKGMLV-QGZVFWFLSA-N 0 3 372.469 2.895 20 5 FFBDHN CC(C)C[C@H]1OCCC[C@@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000186341311 509658668 /nfs/dbraw/zinc/65/86/68/509658668.db2.gz GJSAUCOYSDGTHT-FUHWJXTLSA-N 0 3 361.442 2.667 20 5 FFBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268108148 509760724 /nfs/dbraw/zinc/76/07/24/509760724.db2.gz GDBGPBFXHSNRHW-ABAIWWIYSA-N 0 3 354.838 2.730 20 5 FFBDHN CC[C@H]1CCCCN1CCNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000264950875 509792326 /nfs/dbraw/zinc/79/23/26/509792326.db2.gz JYBYWLQZZHBBBR-ZDUSSCGKSA-N 0 3 365.430 2.606 20 5 FFBDHN O=[N+]([O-])c1cc(CNCCOCCO)ccc1Oc1ccc(F)cc1 ZINC000238190563 509830184 /nfs/dbraw/zinc/83/01/84/509830184.db2.gz UUOODTGDSBTCMP-UHFFFAOYSA-N 0 3 350.346 2.625 20 5 FFBDHN C[C@H]1CCCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000180477169 509946072 /nfs/dbraw/zinc/94/60/72/509946072.db2.gz AZYULNZXWRYSJH-NSHDSACASA-N 0 3 357.357 2.658 20 5 FFBDHN COc1cc(OCC(=O)Nc2cc(CN(C)C)ccc2C)ccc1[N+](=O)[O-] ZINC000177348826 510007345 /nfs/dbraw/zinc/00/73/45/510007345.db2.gz NBRDOCUSVLHQRY-UHFFFAOYSA-N 0 3 373.409 2.991 20 5 FFBDHN N[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000261722826 510041494 /nfs/dbraw/zinc/04/14/94/510041494.db2.gz LFYXTVCDRRDKJM-DLBZAZTESA-N 0 3 357.435 2.640 20 5 FFBDHN C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC000187182978 510107109 /nfs/dbraw/zinc/10/71/09/510107109.db2.gz ADTOCUKTFXGDMN-KUHUBIRLSA-N 0 3 357.410 2.781 20 5 FFBDHN CCc1n[nH]c(C(=O)NC[C@@H](c2ccsc2)N(CC)CC)c1[N+](=O)[O-] ZINC000171371401 510112724 /nfs/dbraw/zinc/11/27/24/510112724.db2.gz XEKOLADQXJQPMG-ZDUSSCGKSA-N 0 3 365.459 2.755 20 5 FFBDHN CN(C)CCOc1ccccc1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000194168556 510246185 /nfs/dbraw/zinc/24/61/85/510246185.db2.gz XMDLFWBYYAAUJG-UHFFFAOYSA-N 0 3 357.410 2.807 20 5 FFBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184335624 510269451 /nfs/dbraw/zinc/26/94/51/510269451.db2.gz XOJKFCKLLFSADQ-UHFFFAOYSA-N 0 3 360.389 2.520 20 5 FFBDHN CC(C)[C@@H](CNc1ccc2ncccc2c1[N+](=O)[O-])N1CCN(C)CC1 ZINC000194262591 510284350 /nfs/dbraw/zinc/28/43/50/510284350.db2.gz HWROSQFWMIMGEG-GOSISDBHSA-N 0 3 357.458 2.827 20 5 FFBDHN COc1ccc([C@@H](C)NCCn2cc([N+](=O)[O-])cn2)cc1Br ZINC000181440867 510409009 /nfs/dbraw/zinc/40/90/09/510409009.db2.gz FEXLWFKSLPNCMH-SNVBAGLBSA-N 0 3 369.219 2.913 20 5 FFBDHN CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2[n-]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000269481333 510428669 /nfs/dbraw/zinc/42/86/69/510428669.db2.gz WEKHRAOODVPVKR-LBPRGKRZSA-N 0 3 360.418 2.678 20 5 FFBDHN Nc1c(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)cc(F)cc1[N+](=O)[O-] ZINC000194747084 510509798 /nfs/dbraw/zinc/50/97/98/510509798.db2.gz CGYFZLBKCSDJKP-AWEZNQCLSA-N 0 3 372.400 2.568 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000191359864 510622956 /nfs/dbraw/zinc/62/29/56/510622956.db2.gz FYDUXNAVZOSVGT-HNNXBMFYSA-N 0 3 364.446 2.786 20 5 FFBDHN CCC1(CC)[C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1OC ZINC000191373831 510628041 /nfs/dbraw/zinc/62/80/41/510628041.db2.gz LXIDLIDJOLOCQV-HOTGVXAUSA-N 0 3 365.430 2.725 20 5 FFBDHN CN(C)CCOc1cc(CNc2c3c(ccc2[N+](=O)[O-])NCC3)ccn1 ZINC000195269067 510749192 /nfs/dbraw/zinc/74/91/92/510749192.db2.gz MENAFMMBLHQUHV-UHFFFAOYSA-N 0 3 357.414 2.510 20 5 FFBDHN COCCCN1CCC(Nc2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000270333401 510765542 /nfs/dbraw/zinc/76/55/42/510765542.db2.gz CHYFRDKQXCEIIG-UHFFFAOYSA-N 0 3 373.251 2.665 20 5 FFBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000185286477 510790900 /nfs/dbraw/zinc/79/09/00/510790900.db2.gz TVOOOHFBQBCUEM-OAHLLOKOSA-N 0 3 359.430 2.560 20 5 FFBDHN Cc1cccc(OCCN(C)C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000182190916 510805378 /nfs/dbraw/zinc/80/53/78/510805378.db2.gz ZTHKRDUEMGHUST-INIZCTEOSA-N 0 3 360.410 2.654 20 5 FFBDHN COc1cccc(N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000185335489 510812016 /nfs/dbraw/zinc/81/20/16/510812016.db2.gz HQKDAJKKIDNYSB-GASCZTMLSA-N 0 3 363.458 2.929 20 5 FFBDHN COc1ccccc1C[C@H](C)N(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247486885 510862765 /nfs/dbraw/zinc/86/27/65/510862765.db2.gz KQKPZJQNADDTID-MAUKXSAKSA-N 0 3 374.437 2.906 20 5 FFBDHN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(CNC)c2)cc1OC ZINC000297268276 510879547 /nfs/dbraw/zinc/87/95/47/510879547.db2.gz SIBHJMSVIAGPTO-UHFFFAOYSA-N 0 3 359.382 2.974 20 5 FFBDHN CN(C)CCN(Cc1cccs1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000279397225 511069066 /nfs/dbraw/zinc/06/90/66/511069066.db2.gz JHYQDGRDRWYWDC-UHFFFAOYSA-N 0 3 366.418 2.582 20 5 FFBDHN COc1ccc(CN[C@H]2CCN(C(=O)Nc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000282992145 511192308 /nfs/dbraw/zinc/19/23/08/511192308.db2.gz NASRDCPSKDDXGQ-INIZCTEOSA-N 0 3 370.409 2.999 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CN1C1CC1 ZINC000295140375 511296022 /nfs/dbraw/zinc/29/60/22/511296022.db2.gz OLZADTSOGNCDQA-ONGXEEELSA-N 0 3 357.332 2.969 20 5 FFBDHN COC(=O)CCCN1CCC(NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000271785899 511324002 /nfs/dbraw/zinc/32/40/02/511324002.db2.gz HTKRIWWXTAHEFA-UHFFFAOYSA-N 0 3 369.849 2.755 20 5 FFBDHN CN1CC[C@]2(CCN(C(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])C2)C1 ZINC000295223219 511327285 /nfs/dbraw/zinc/32/72/85/511327285.db2.gz BHEUAZHFCBKNHB-HNNXBMFYSA-N 0 3 357.332 2.781 20 5 FFBDHN O=C(CCN1CC[C@@](CO)(c2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000291817946 511350657 /nfs/dbraw/zinc/35/06/57/511350657.db2.gz NSMGKTAYVCQMEB-HXUWFJFHSA-N 0 3 369.421 2.559 20 5 FFBDHN O=C(CCN1CC[C@](CO)(c2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000291817944 511351205 /nfs/dbraw/zinc/35/12/05/511351205.db2.gz NSMGKTAYVCQMEB-FQEVSTJZSA-N 0 3 369.421 2.559 20 5 FFBDHN Cc1cc(Cl)c(C(=O)NC[C@@]2(N(C)C)CCSC2)cc1[N+](=O)[O-] ZINC000295364432 511378471 /nfs/dbraw/zinc/37/84/71/511378471.db2.gz RGYBVLDVDNDFPS-HNNXBMFYSA-N 0 3 357.863 2.724 20 5 FFBDHN CC1CCN(c2ccc(C(=O)NCC3=CCN(C)CC3)cc2[N+](=O)[O-])CC1 ZINC000272052854 511415089 /nfs/dbraw/zinc/41/50/89/511415089.db2.gz ZVZBQOQYUKAPSH-UHFFFAOYSA-N 0 3 372.469 2.823 20 5 FFBDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000363271885 511454999 /nfs/dbraw/zinc/45/49/99/511454999.db2.gz VRSWUOXASQTPPP-MRXNPFEDSA-N 0 3 354.410 2.524 20 5 FFBDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000363390000 511520503 /nfs/dbraw/zinc/52/05/03/511520503.db2.gz HQSKLIJHDNPTMO-HNNXBMFYSA-N 0 3 369.425 2.527 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000292463840 511606710 /nfs/dbraw/zinc/60/67/10/511606710.db2.gz AEJQPSPANMIXOO-CYBMUJFWSA-N 0 3 362.430 2.942 20 5 FFBDHN NC(=O)c1ccc(CN2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000280958107 511667341 /nfs/dbraw/zinc/66/73/41/511667341.db2.gz JKDRNTJSEKQQJC-NUJGCVRESA-N 0 3 361.442 2.599 20 5 FFBDHN NC(=O)c1ccc(CN2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000280958093 511667386 /nfs/dbraw/zinc/66/73/86/511667386.db2.gz JKDRNTJSEKQQJC-JZXOWHBKSA-N 0 3 361.442 2.599 20 5 FFBDHN CN(C)CC1(NC(=O)c2cc([N+](=O)[O-])ccc2Br)CCC1 ZINC000281016425 511689993 /nfs/dbraw/zinc/68/99/93/511689993.db2.gz GCZSXHMTSRTVLJ-UHFFFAOYSA-N 0 3 356.220 2.571 20 5 FFBDHN CN1CCC(n2ccc(Nc3cc(C(F)(F)F)ncc3[N+](=O)[O-])n2)CC1 ZINC000365981106 511763924 /nfs/dbraw/zinc/76/39/24/511763924.db2.gz DZBYGQRJYMAFPF-UHFFFAOYSA-N 0 3 370.335 2.637 20 5 FFBDHN C[C@H](NCCNc1nccc(C(F)(F)F)n1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293276307 511904965 /nfs/dbraw/zinc/90/49/65/511904965.db2.gz CMWFDJATMREFEZ-VIFPVBQESA-N 0 3 370.335 2.749 20 5 FFBDHN NC(=O)c1ccc(CN2CCCC[C@@H]2[C@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000364053267 511931656 /nfs/dbraw/zinc/93/16/56/511931656.db2.gz GRIDTLDJXYXCTE-IEBWSBKVSA-N 0 3 369.421 2.782 20 5 FFBDHN Cc1cccnc1CN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274798810 511946082 /nfs/dbraw/zinc/94/60/82/511946082.db2.gz DYAALLIJLNMIPB-UHFFFAOYSA-N 0 3 366.425 2.887 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1N1CCCC1 ZINC000275140712 512054627 /nfs/dbraw/zinc/05/46/27/512054627.db2.gz PYEZSKKXAPKDTC-LSDHHAIUSA-N 0 3 369.874 2.900 20 5 FFBDHN COc1ccc([C@H](CCO)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000411465460 512649263 /nfs/dbraw/zinc/64/92/63/512649263.db2.gz WSVNIBVBIMJZFP-SFHVURJKSA-N 0 3 373.409 2.645 20 5 FFBDHN O=C(CCN1CC[C@@H](Oc2ccncc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000376550495 512868215 /nfs/dbraw/zinc/86/82/15/512868215.db2.gz FJBILPKBLOYAAH-OAHLLOKOSA-N 0 3 374.372 2.611 20 5 FFBDHN NC(=O)[C@]1(c2ccccc2)CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000411963904 512892780 /nfs/dbraw/zinc/89/27/80/512892780.db2.gz IADPXPPUHVLHII-GOSISDBHSA-N 0 3 359.813 2.877 20 5 FFBDHN CNc1ccc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000389952305 512904113 /nfs/dbraw/zinc/90/41/13/512904113.db2.gz SNMINEUWGIKXND-KDOFPFPSSA-N 0 3 368.437 2.887 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000374593395 512907111 /nfs/dbraw/zinc/90/71/11/512907111.db2.gz JFTIWHXXQIGPAW-QKLQHJQFSA-N 0 3 372.421 2.702 20 5 FFBDHN Cc1cc([N+](=O)[O-])cnc1NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000397589480 512947973 /nfs/dbraw/zinc/94/79/73/512947973.db2.gz IVIWDMFPKDJMAG-UHFFFAOYSA-N 0 3 356.426 2.737 20 5 FFBDHN C[C@@]1(NC(=O)c2cccc([N+](=O)[O-])c2N)CCN(Cc2ccccc2)C1 ZINC000406030314 512973285 /nfs/dbraw/zinc/97/32/85/512973285.db2.gz JUPMPPWNYQSRLS-LJQANCHMSA-N 0 3 354.410 2.571 20 5 FFBDHN CC(C)c1n[nH]c(C(=O)N(CCN(C)C)C2CCCCC2)c1[N+](=O)[O-] ZINC000433748766 513141472 /nfs/dbraw/zinc/14/14/72/513141472.db2.gz MHBQAHWTUMRYRY-UHFFFAOYSA-N 0 3 351.451 2.778 20 5 FFBDHN CC(C)c1[nH]nc(C(=O)N(CCN(C)C)C2CCCCC2)c1[N+](=O)[O-] ZINC000433748766 513141480 /nfs/dbraw/zinc/14/14/80/513141480.db2.gz MHBQAHWTUMRYRY-UHFFFAOYSA-N 0 3 351.451 2.778 20 5 FFBDHN CC(C)c1n[nH]c(C(=O)NC[C@@H](C(C)C)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000433826960 513161401 /nfs/dbraw/zinc/16/14/01/513161401.db2.gz UPBATGFHYLQKBN-AWEZNQCLSA-N 0 3 365.478 2.928 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000428994675 513243918 /nfs/dbraw/zinc/24/39/18/513243918.db2.gz PJOYOFYKABARLM-JCKWVBRZSA-N 0 3 360.458 2.504 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000429022035 513257172 /nfs/dbraw/zinc/25/71/72/513257172.db2.gz RBXIZWHAVKIKAC-JCKWVBRZSA-N 0 3 360.458 2.504 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000429024030 513259073 /nfs/dbraw/zinc/25/90/73/513259073.db2.gz GKGYHMQRHGBYCR-YSVLISHTSA-N 0 3 360.458 2.504 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000429024028 513260282 /nfs/dbraw/zinc/26/02/82/513260282.db2.gz GKGYHMQRHGBYCR-UKPHBRMFSA-N 0 3 360.458 2.504 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc([C@@H](C)[NH3+])cc2)c1C ZINC000440420225 513317664 /nfs/dbraw/zinc/31/76/64/513317664.db2.gz LVVSWAIPMXXLOJ-CYBMUJFWSA-N 0 3 363.439 2.710 20 5 FFBDHN CN(C(=O)c1cc([N+](=O)[O-])c[n-]1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000434496736 513343055 /nfs/dbraw/zinc/34/30/55/513343055.db2.gz KGMQAMYQYDDRAZ-UHFFFAOYSA-N 0 3 358.398 2.674 20 5 FFBDHN C[C@@H]1CN(C2CCC2)CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000429370539 513355781 /nfs/dbraw/zinc/35/57/81/513355781.db2.gz FJSMAATWZVLBAN-BEFAXECRSA-N 0 3 372.469 2.506 20 5 FFBDHN COCC(C)(C)N1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CC1 ZINC000425281581 513489174 /nfs/dbraw/zinc/48/91/74/513489174.db2.gz PLPVGDLDYWMZLF-UHFFFAOYSA-N 0 3 358.442 2.998 20 5 FFBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2ccc3c(c2)OCCO3)n1 ZINC000447513656 513494258 /nfs/dbraw/zinc/49/42/58/513494258.db2.gz YACGPVDGFLJCRK-LSDHHAIUSA-N 0 3 358.398 2.836 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2ccc(CNCCN3C[C@H]4CC[C@@H](C3)O4)o2)c1 ZINC000451223334 513606079 /nfs/dbraw/zinc/60/60/79/513606079.db2.gz RJBMFRYCUDNLSU-HDICACEKSA-N 0 3 357.410 2.808 20 5 FFBDHN Cc1cc(OCC(=O)N(CCN(C)C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000430412760 513647562 /nfs/dbraw/zinc/64/75/62/513647562.db2.gz FAMFCUOFPSJTCV-UHFFFAOYSA-N 0 3 357.410 2.877 20 5 FFBDHN Cc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)n(C2CCN(C)CC2)n1 ZINC000430436965 513654186 /nfs/dbraw/zinc/65/41/86/513654186.db2.gz FEJCVSHNVMAIQT-UHFFFAOYSA-N 0 3 357.414 2.548 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@@H]3[C@H]3CCC[C@@H]3O)o2)cc1 ZINC000451413369 513734396 /nfs/dbraw/zinc/73/43/96/513734396.db2.gz GYWMJTHVVZRYPU-OAGGEKHMSA-N 0 3 358.398 2.770 20 5 FFBDHN CN(C)[C@@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)C1CC1 ZINC000436062473 513749035 /nfs/dbraw/zinc/74/90/35/513749035.db2.gz RGYAGRWGZLDHEM-KRWDZBQOSA-N 0 3 367.424 2.890 20 5 FFBDHN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NC1CCN(CC2CC2)CC1 ZINC000448730914 513869031 /nfs/dbraw/zinc/86/90/31/513869031.db2.gz BVKZAKFYUZYRDA-UHFFFAOYSA-N 0 3 359.426 2.548 20 5 FFBDHN Cc1ccc(Sc2ccc(CN[C@H](CO)[C@@H](C)O)cc2[N+](=O)[O-])cc1 ZINC000419817313 513940527 /nfs/dbraw/zinc/94/05/27/513940527.db2.gz RIHCJLYTQZKFKC-CZUORRHYSA-N 0 3 362.451 2.886 20 5 FFBDHN Cc1cc(OCC(=O)N[C@@H](Cc2ccccc2)CN(C)C)ccc1[N+](=O)[O-] ZINC000431836427 514014317 /nfs/dbraw/zinc/01/43/17/514014317.db2.gz RFLZKGRCBSZKNE-KRWDZBQOSA-N 0 3 371.437 2.571 20 5 FFBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000449238209 514127149 /nfs/dbraw/zinc/12/71/49/514127149.db2.gz FQJUXRREQOIODC-WMLDXEAASA-N 0 3 354.410 2.706 20 5 FFBDHN NC(=O)c1cccc([N+](=O)[O-])c1NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000420621028 514204520 /nfs/dbraw/zinc/20/45/20/514204520.db2.gz FNPCXCDWNMPHLI-OAHLLOKOSA-N 0 3 354.410 2.628 20 5 FFBDHN COC[C@]1(C(=O)OC)CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000449455038 514216535 /nfs/dbraw/zinc/21/65/35/514216535.db2.gz QDEHKNKMTXWWEV-SFHVURJKSA-N 0 3 350.415 2.730 20 5 FFBDHN C[C@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CCN(C2CC2)C1 ZINC000452167758 514225595 /nfs/dbraw/zinc/22/55/95/514225595.db2.gz CGVFRKMJDLAOGR-CYBMUJFWSA-N 0 3 363.433 2.954 20 5 FFBDHN N[C@@H]1Cc2ccccc2N(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000424081187 514374443 /nfs/dbraw/zinc/37/44/43/514374443.db2.gz VDPSWMRGOYMSFT-MRXNPFEDSA-N 0 3 366.421 2.725 20 5 FFBDHN COc1ccc(CNC(=O)NCCN2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000444989655 514383690 /nfs/dbraw/zinc/38/36/90/514383690.db2.gz QXEAAKCNDANHRP-UHFFFAOYSA-N 0 3 364.446 2.525 20 5 FFBDHN CN(C)C1(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000438537581 514398732 /nfs/dbraw/zinc/39/87/32/514398732.db2.gz ZYNHHCLAADRFHF-UHFFFAOYSA-N 0 3 357.863 2.941 20 5 FFBDHN Cn1c(C(=O)N(Cc2ccccc2)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000438550514 514402131 /nfs/dbraw/zinc/40/21/31/514402131.db2.gz CWALLQXHOITAHM-UHFFFAOYSA-N 0 3 356.426 2.670 20 5 FFBDHN CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC(OC(C)(C)C)C1 ZINC000420997622 514431123 /nfs/dbraw/zinc/43/11/23/514431123.db2.gz ACXPAYQUMHXREH-SLTAFYQDSA-N 0 3 352.431 2.612 20 5 FFBDHN COC(=O)CC1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000497727328 514611293 /nfs/dbraw/zinc/61/12/93/514611293.db2.gz KNRUKPOTKDLCDP-UHFFFAOYSA-N 0 3 363.414 2.507 20 5 FFBDHN CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475307867 514612893 /nfs/dbraw/zinc/61/28/93/514612893.db2.gz IGHCWKAVUHFAGQ-IBGZPJMESA-N 0 3 353.422 2.870 20 5 FFBDHN CC[C@@H](C)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC)CC1 ZINC000453465377 514657065 /nfs/dbraw/zinc/65/70/65/514657065.db2.gz JYUCEXVBRXOPEK-CQSZACIVSA-N 0 3 358.446 2.794 20 5 FFBDHN Cc1nn(CCC(=O)Nc2ccc(CN(C)C)c(C)c2)c(C)c1[N+](=O)[O-] ZINC000458268320 514675044 /nfs/dbraw/zinc/67/50/44/514675044.db2.gz GLLDTNOSVBZUKY-UHFFFAOYSA-N 0 3 359.430 2.807 20 5 FFBDHN Cc1cc(NC[C@@H](O)CN2CCc3ccccc3C2)c(F)cc1[N+](=O)[O-] ZINC000461775402 514732057 /nfs/dbraw/zinc/73/20/57/514732057.db2.gz MTKGOCFTFPPJCZ-MRXNPFEDSA-N 0 3 359.401 2.873 20 5 FFBDHN O=[N+]([O-])c1ccc(CNCC2(N3CCOCC3)CCCCC2)c(F)c1 ZINC000479921800 514777250 /nfs/dbraw/zinc/77/72/50/514777250.db2.gz IYJOUJKLTUNSHU-UHFFFAOYSA-N 0 3 351.422 2.859 20 5 FFBDHN CSC1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCN(C)CC1 ZINC000484973870 514861718 /nfs/dbraw/zinc/86/17/18/514861718.db2.gz LAIKUAMTAVIZJP-UHFFFAOYSA-N 0 3 371.890 2.734 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000462190958 514932385 /nfs/dbraw/zinc/93/23/85/514932385.db2.gz RNCWPDHHSNVFGO-SCLBCKFNSA-N 0 3 357.385 2.984 20 5 FFBDHN Cc1nc(NCCCCN2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000471612516 514955177 /nfs/dbraw/zinc/95/51/77/514955177.db2.gz GQCGNAIVDPVONF-UHFFFAOYSA-N 0 3 369.469 2.734 20 5 FFBDHN CCN1CCC[C@@H](CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000480511651 514982352 /nfs/dbraw/zinc/98/23/52/514982352.db2.gz MILYCYVXEZVTNI-AWEZNQCLSA-N 0 3 371.441 2.703 20 5 FFBDHN CN(C)CC(C)(C)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000458709431 515035480 /nfs/dbraw/zinc/03/54/80/515035480.db2.gz UAGKMFDYMSUULD-UHFFFAOYSA-N 0 3 362.352 2.753 20 5 FFBDHN Cc1ccc(C)c(S(=O)(=O)N(C)CCN(C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000480712389 515054691 /nfs/dbraw/zinc/05/46/91/515054691.db2.gz SAAMACXFLWWYSO-UHFFFAOYSA-N 0 3 371.503 2.951 20 5 FFBDHN COc1ccc(CNC(=O)N(CCN(C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000468039302 515206017 /nfs/dbraw/zinc/20/60/17/515206017.db2.gz CKEPVIHUUMRSHZ-UHFFFAOYSA-N 0 3 364.446 2.619 20 5 FFBDHN Cc1ccncc1CN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000481192918 515241567 /nfs/dbraw/zinc/24/15/67/515241567.db2.gz UBKXZJFALXDXII-UHFFFAOYSA-N 0 3 366.425 2.887 20 5 FFBDHN CO[C@@H](c1ccccc1Cl)[C@@H](C)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000481513039 515355152 /nfs/dbraw/zinc/35/51/52/515355152.db2.gz CXZNWUXSHLZQDI-SJKOYZFVSA-N 0 3 365.817 2.776 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN(Cc2ccccc2Cl)CC2CC2)c1 ZINC000510224784 515474125 /nfs/dbraw/zinc/47/41/25/515474125.db2.gz VKVCBJBVTVQNTG-MRXNPFEDSA-N 0 3 364.833 2.718 20 5 FFBDHN CC[C@@H]1CCCCN1CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000486488950 515507299 /nfs/dbraw/zinc/50/72/99/515507299.db2.gz PFFPVEXKQULAKS-GFCCVEGCSA-N 0 3 355.385 2.796 20 5 FFBDHN CC1CCN(c2ccc(C(=O)N(CCN(C)C)C3CC3)cc2[N+](=O)[O-])CC1 ZINC000505641094 515620156 /nfs/dbraw/zinc/62/01/56/515620156.db2.gz YCSMLEMGVQWSLB-UHFFFAOYSA-N 0 3 374.485 2.997 20 5 FFBDHN O=C(N[C@H]1CCN(C2CC2)C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454644264 515634762 /nfs/dbraw/zinc/63/47/62/515634762.db2.gz OHVKKPSVJDNAMI-CVEARBPZSA-N 0 3 358.442 2.721 20 5 FFBDHN COc1cc(CN[C@H]2CCO[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493763610 515660424 /nfs/dbraw/zinc/66/04/24/515660424.db2.gz IJUXXWBMPHHFRF-JQWIXIFHSA-N 0 3 360.357 2.904 20 5 FFBDHN C[C@H](NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1cncc(F)c1 ZINC000459624470 515704267 /nfs/dbraw/zinc/70/42/67/515704267.db2.gz VFFYSGPQUKKLCB-NSHDSACASA-N 0 3 360.345 2.778 20 5 FFBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCc2nn(C)cc21 ZINC000511004253 515742152 /nfs/dbraw/zinc/74/21/52/515742152.db2.gz YXJYLRBUFDCBPD-WBMJQRKESA-N 0 3 357.414 2.713 20 5 FFBDHN C[C@@H](CN1CCN(c2ccccn2)CC1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000483154189 515957486 /nfs/dbraw/zinc/95/74/86/515957486.db2.gz IEHJSNQYZLDJFN-IRXDYDNUSA-N 0 3 369.469 2.851 20 5 FFBDHN CCc1cc(N[C@H]2CCCN(CC)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506977439 516043214 /nfs/dbraw/zinc/04/32/14/516043214.db2.gz NCJATENJXAVNSA-INIZCTEOSA-N 0 3 355.442 2.932 20 5 FFBDHN COCCN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCC[C@H]1C ZINC000487959907 516053132 /nfs/dbraw/zinc/05/31/32/516053132.db2.gz SJHNMFFPFCZGFS-PBHICJAKSA-N 0 3 361.442 2.621 20 5 FFBDHN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000460203428 516066545 /nfs/dbraw/zinc/06/65/45/516066545.db2.gz IZLRHPQMCCAQAQ-INIZCTEOSA-N 0 3 356.430 2.546 20 5 FFBDHN NC[C@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000479135629 516071673 /nfs/dbraw/zinc/07/16/73/516071673.db2.gz WRDAAABZMFUZOR-SFHVURJKSA-N 0 3 359.401 2.915 20 5 FFBDHN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCCN(CCCc2ccccc2)CC1 ZINC000507096257 516088369 /nfs/dbraw/zinc/08/83/69/516088369.db2.gz BWLOHORGJHZSLS-UHFFFAOYSA-N 0 3 356.426 2.704 20 5 FFBDHN C[C@H]1CCCN(c2ccc(C(=O)N(C)CCN(C)C3CC3)cc2[N+](=O)[O-])C1 ZINC000474564499 516097034 /nfs/dbraw/zinc/09/70/34/516097034.db2.gz TZPSEJBHPHFXPL-HNNXBMFYSA-N 0 3 374.485 2.997 20 5 FFBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(Cc4ccncc4)CC3)nc2c1 ZINC000460348420 516125290 /nfs/dbraw/zinc/12/52/90/516125290.db2.gz FZTPDCPREVTFKX-UHFFFAOYSA-N 0 3 352.398 2.578 20 5 FFBDHN C[C@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1C ZINC000501510802 516132006 /nfs/dbraw/zinc/13/20/06/516132006.db2.gz GENIVHUUFMKSFQ-LSDHHAIUSA-N 0 3 363.462 2.569 20 5 FFBDHN C[C@@H]1C[C@@H](C)CN(C(C)(C)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000507274875 516152269 /nfs/dbraw/zinc/15/22/69/516152269.db2.gz AAVZCHBKOIYPAH-ZIAGYGMSSA-N 0 3 369.487 2.630 20 5 FFBDHN CCN1CCN([C@@H]2CCN(C/C(C)=C\c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000470169869 516158217 /nfs/dbraw/zinc/15/82/17/516158217.db2.gz LFPLDUYDOIDYMO-MBGNVJMVSA-N 0 3 358.486 2.710 20 5 FFBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000512118135 516158990 /nfs/dbraw/zinc/15/89/90/516158990.db2.gz GNSNPHMBQWVICG-NWDGAFQWSA-N 0 3 367.833 2.782 20 5 FFBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@](C)(O)C(=O)OC(C)(C)C ZINC000470208903 516172699 /nfs/dbraw/zinc/17/26/99/516172699.db2.gz VFHWQLZGARFALB-GWCFYCIZSA-N 0 3 350.415 2.680 20 5 FFBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](SC)[C@@H](N(C)C)C1 ZINC000495580636 516190070 /nfs/dbraw/zinc/19/00/70/516190070.db2.gz LSMUSAXHJWCYRM-ZFWWWQNUSA-N 0 3 369.512 2.824 20 5 FFBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](SC)[C@H](N(C)C)C1 ZINC000495580635 516191024 /nfs/dbraw/zinc/19/10/24/516191024.db2.gz LSMUSAXHJWCYRM-UKRRQHHQSA-N 0 3 369.512 2.824 20 5 FFBDHN COc1c(C(=O)Nc2ccc(OCCN(C)C)cc2)cccc1[N+](=O)[O-] ZINC000474968836 516251680 /nfs/dbraw/zinc/25/16/80/516251680.db2.gz IMGBZFXMKKBYIG-UHFFFAOYSA-N 0 3 359.382 2.796 20 5 FFBDHN CCCN(CCN(CC)CC)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000460910591 516280955 /nfs/dbraw/zinc/28/09/55/516280955.db2.gz IYLJYRMSTZCAJP-UHFFFAOYSA-N 0 3 357.476 2.646 20 5 FFBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000488748221 516299663 /nfs/dbraw/zinc/29/96/63/516299663.db2.gz KAQGBVBDNNWCTE-XJKCOSOUSA-N 0 3 361.442 2.856 20 5 FFBDHN CC(C)[C@@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)N1CCCCC1 ZINC000517818346 516461685 /nfs/dbraw/zinc/46/16/85/516461685.db2.gz PKVPLQAEJHUGLP-IBGZPJMESA-N 0 3 374.485 2.754 20 5 FFBDHN CCCN(CCN1CCCCC1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000513116516 516479856 /nfs/dbraw/zinc/47/98/56/516479856.db2.gz GUSTVGIRFZMSKT-UHFFFAOYSA-N 0 3 374.485 2.682 20 5 FFBDHN CNC(=O)COc1cccc(CNC/C(C)=C\c2cccc([N+](=O)[O-])c2)c1 ZINC000513117009 516482042 /nfs/dbraw/zinc/48/20/42/516482042.db2.gz OSRHYPAZLJLSAJ-DHDCSXOGSA-N 0 3 369.421 2.913 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000543903476 516490597 /nfs/dbraw/zinc/49/05/97/516490597.db2.gz ICUXCKCXMLMMFN-OKILXGFUSA-N 0 3 365.430 2.683 20 5 FFBDHN COC[C@H](NCCCn1c2cc([N+](=O)[O-])ccc2oc1=O)c1ccccc1 ZINC000540407602 516542180 /nfs/dbraw/zinc/54/21/80/516542180.db2.gz KSIFFXVECSAKMX-INIZCTEOSA-N 0 3 371.393 2.870 20 5 FFBDHN Cc1ccnc(N2CCN(CCN(C)Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000523755361 516568815 /nfs/dbraw/zinc/56/88/15/516568815.db2.gz TWUFZRYFYHSKHB-UHFFFAOYSA-N 0 3 369.469 2.552 20 5 FFBDHN CCc1cc(NCC2=CCN(C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000540494111 516584132 /nfs/dbraw/zinc/58/41/32/516584132.db2.gz UTPWSDDBXAYSCT-UHFFFAOYSA-N 0 3 353.426 2.710 20 5 FFBDHN CCCN(CCN(C)C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000531706492 516604149 /nfs/dbraw/zinc/60/41/49/516604149.db2.gz NXPYBTQATTUWEI-UHFFFAOYSA-N 0 3 357.838 2.817 20 5 FFBDHN C[C@@]1(c2ccccc2)CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000544144007 516612047 /nfs/dbraw/zinc/61/20/47/516612047.db2.gz MEFUQULTKIVYCV-YLJYHZDGSA-N 0 3 356.422 2.998 20 5 FFBDHN CCC[NH+](CCC)CCC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000524121476 516647673 /nfs/dbraw/zinc/64/76/73/516647673.db2.gz ZORNHMOSPICDRU-UHFFFAOYSA-N 0 3 357.476 2.694 20 5 FFBDHN Cc1c(Br)c(N(C)[C@H]2CCN(C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000544393284 516739831 /nfs/dbraw/zinc/73/98/31/516739831.db2.gz FNFIUCLANFGYRZ-KOLCDFICSA-N 0 3 357.252 2.837 20 5 FFBDHN Cc1c(Br)c(N(C)[C@@H]2CCN(C)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000544392829 516739200 /nfs/dbraw/zinc/73/92/00/516739200.db2.gz BFBMFHMWOUIOFE-MWLCHTKSSA-N 0 3 357.252 2.980 20 5 FFBDHN C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@H]1C ZINC000544511596 516790473 /nfs/dbraw/zinc/79/04/73/516790473.db2.gz ASDVIFMIYRPGJV-SOZUMNATSA-N 0 3 355.394 2.737 20 5 FFBDHN C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CCN1Cc1ccccc1 ZINC000524708485 516796140 /nfs/dbraw/zinc/79/61/40/516796140.db2.gz KQUWLAKUHANKEI-HNNXBMFYSA-N 0 3 356.426 2.670 20 5 FFBDHN Cc1ccccc1C[C@@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544573921 516819621 /nfs/dbraw/zinc/81/96/21/516819621.db2.gz BPUAXSYSTWUMTH-OAHLLOKOSA-N 0 3 362.451 2.898 20 5 FFBDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000551792761 516872389 /nfs/dbraw/zinc/87/23/89/516872389.db2.gz AMIRGVYRKGUBTE-GOSISDBHSA-N 0 3 357.410 2.945 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCc1nnnn1-c1ccccc1 ZINC000558698237 516895284 /nfs/dbraw/zinc/89/52/84/516895284.db2.gz ZUFBNOLQYWZQMO-CQSZACIVSA-N 0 3 352.398 2.772 20 5 FFBDHN CCOc1ccc(C(=O)NCC2(SC)CCN(C)CC2)cc1[N+](=O)[O-] ZINC000562182410 516948407 /nfs/dbraw/zinc/94/84/07/516948407.db2.gz TYHFYODYKLZGNT-UHFFFAOYSA-N 0 3 367.471 2.551 20 5 FFBDHN COc1cc(CN(CCN(C)C)Cc2ccccn2)c([N+](=O)[O-])cc1F ZINC000514611328 516963591 /nfs/dbraw/zinc/96/35/91/516963591.db2.gz JLYKPEUVCVCADD-UHFFFAOYSA-N 0 3 362.405 2.701 20 5 FFBDHN Cc1ccc(OCCNC[C@H](O)COc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000551974736 517000734 /nfs/dbraw/zinc/00/07/34/517000734.db2.gz AVCRSQORXJJYBH-KRWDZBQOSA-N 0 3 360.410 2.620 20 5 FFBDHN COC(=O)c1cnc(N[C@H]2CCN(Cc3ccccc3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000514752253 517038274 /nfs/dbraw/zinc/03/82/74/517038274.db2.gz QGEJOVSOYGFIOQ-BBRMVZONSA-N 0 3 370.409 2.851 20 5 FFBDHN CCN(C(=O)c1c[nH]nc1[N+](=O)[O-])[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000549217824 517462623 /nfs/dbraw/zinc/46/26/23/517462623.db2.gz AAYSCILHEKFKBO-UKRRQHHQSA-N 0 3 357.414 2.616 20 5 FFBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1cnc2n1CCCC2 ZINC000556610197 517517831 /nfs/dbraw/zinc/51/78/31/517517831.db2.gz REFSWWTZCUBHNW-ZDUSSCGKSA-N 0 3 357.414 2.635 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@H](Cc1ccccc1Cl)C(N)=O ZINC000542693690 517690338 /nfs/dbraw/zinc/69/03/38/517690338.db2.gz RJPQOOPXWBPRJP-OAHLLOKOSA-N 0 3 361.829 2.990 20 5 FFBDHN CN(C)CCOc1cc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])ccn1 ZINC000521370497 517709050 /nfs/dbraw/zinc/70/90/50/517709050.db2.gz VVSPKIUYPMQHRK-QGZVFWFLSA-N 0 3 356.426 2.707 20 5 FFBDHN CCCN(CCN1CCCC1)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000516557624 517740260 /nfs/dbraw/zinc/74/02/60/517740260.db2.gz XCMUOPCJJSCQCA-UHFFFAOYSA-N 0 3 371.441 2.729 20 5 FFBDHN CN(C)CCN(CC1CCCCC1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000521476311 517746620 /nfs/dbraw/zinc/74/66/20/517746620.db2.gz VPKGSAKNMTUWPP-UHFFFAOYSA-N 0 3 363.458 2.944 20 5 FFBDHN Cc1cc(N[C@@H](Cc2ccccc2)C(=O)NCCN(C)C)ccc1[N+](=O)[O-] ZINC000538930091 517849544 /nfs/dbraw/zinc/84/95/44/517849544.db2.gz ZTWVANBIIMMXSK-SFHVURJKSA-N 0 3 370.453 2.604 20 5 FFBDHN Cc1cc(NCCC2CCS(=O)(=O)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000543047098 517881997 /nfs/dbraw/zinc/88/19/97/517881997.db2.gz PKKHINPWBHYOPB-UHFFFAOYSA-N 0 3 363.439 2.500 20 5 FFBDHN C[C@@H](CN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)CN1CCN(C)CC1 ZINC000516871614 517885160 /nfs/dbraw/zinc/88/51/60/517885160.db2.gz CUACZVABVNMZMT-BBRMVZONSA-N 0 3 374.407 2.671 20 5 FFBDHN COc1cc(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000553768744 517892868 /nfs/dbraw/zinc/89/28/68/517892868.db2.gz SZTYJEMKCCNRTC-HEHGZKQESA-N 0 3 361.442 2.714 20 5 FFBDHN CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000530712742 517935740 /nfs/dbraw/zinc/93/57/40/517935740.db2.gz LZURAQBBVDCBSL-GJZGRUSLSA-N 0 3 369.487 2.774 20 5 FFBDHN CN(C)[C@H](CC(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000563520588 517958338 /nfs/dbraw/zinc/95/83/38/517958338.db2.gz PQEOIIXDCIQVHM-GOSISDBHSA-N 0 3 357.410 2.783 20 5 FFBDHN CS[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@H]1N(C)C ZINC000534951805 518095574 /nfs/dbraw/zinc/09/55/74/518095574.db2.gz MPTAHRLKGTYITP-NVXWUHKLSA-N 0 3 353.488 2.859 20 5 FFBDHN CN(C)CCOc1cnccc1CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000584195033 518222852 /nfs/dbraw/zinc/22/28/52/518222852.db2.gz KDFZBJVFLUSXHV-ALCCZGGFSA-N 0 3 356.426 2.733 20 5 FFBDHN C[C@@H]1C[C@H](N(C)C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CCN1C ZINC000578569179 518269283 /nfs/dbraw/zinc/26/92/83/518269283.db2.gz MJMZNQQUDIBHSM-UKRRQHHQSA-N 0 3 373.457 2.743 20 5 FFBDHN CN(C)Cc1ccc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])cc1F ZINC000569803329 518299990 /nfs/dbraw/zinc/29/99/90/518299990.db2.gz NVFFAIZQGHZOCU-UHFFFAOYSA-N 0 3 374.416 2.914 20 5 FFBDHN CC(C)(CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCCCC1 ZINC000569878099 518335058 /nfs/dbraw/zinc/33/50/58/518335058.db2.gz DLPXBPMVPPTFGG-UHFFFAOYSA-N 0 3 355.385 2.796 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CC[C@H]3CCC[C@H]3C2)cc1 ZINC000572870142 518400735 /nfs/dbraw/zinc/40/07/35/518400735.db2.gz DDBDRCMXQDIIGS-QLFBSQMISA-N 0 3 352.456 2.927 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1ccnc(C(F)(F)F)c1 ZINC000570202526 518492826 /nfs/dbraw/zinc/49/28/26/518492826.db2.gz MRUBAQFTSSWGPL-LBPRGKRZSA-N 0 3 371.315 2.538 20 5 FFBDHN COc1cccc([N+](=O)[O-])c1NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000564587239 518514597 /nfs/dbraw/zinc/51/45/97/518514597.db2.gz XXTMKHSIQTYEBR-MRXNPFEDSA-N 0 3 357.410 2.782 20 5 FFBDHN CC(C)c1nc(CCNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cs1 ZINC000576339471 518544526 /nfs/dbraw/zinc/54/45/26/518544526.db2.gz QJBNXEAZIKQMQQ-OAHLLOKOSA-N 0 3 365.455 2.747 20 5 FFBDHN CS[C@@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000579465742 518695553 /nfs/dbraw/zinc/69/55/53/518695553.db2.gz GMYDMSDQHDIOMU-AWEZNQCLSA-N 0 3 360.501 2.736 20 5 FFBDHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CNCc2ccccc21 ZINC000564929249 518700673 /nfs/dbraw/zinc/70/06/73/518700673.db2.gz BPZRBYUGHXWXMF-LJQANCHMSA-N 0 3 353.422 2.921 20 5 FFBDHN CCc1ccc(S(=O)(=O)N(C)[C@@H]2CCN(CC)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000567771053 518702325 /nfs/dbraw/zinc/70/23/25/518702325.db2.gz OCRJMEHEABPQPG-UKRRQHHQSA-N 0 3 369.487 2.651 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCCN(CC3CCC3)CC2)c1 ZINC000570886858 518825002 /nfs/dbraw/zinc/82/50/02/518825002.db2.gz MTDIYGSDRKTDSF-UHFFFAOYSA-N 0 3 361.442 2.942 20 5 FFBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@H](O)COc1ccc(F)c(F)c1 ZINC000565219527 518849166 /nfs/dbraw/zinc/84/91/66/518849166.db2.gz YEEDBQMZKFESBH-APPDUMDISA-N 0 3 364.348 2.890 20 5 FFBDHN C[C@@H](C(=O)NC[C@@H](Cc1ccccc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000577042849 518887558 /nfs/dbraw/zinc/88/75/58/518887558.db2.gz CFGMNKFZYJHLBF-DNVCBOLYSA-N 0 3 355.438 2.987 20 5 FFBDHN CCc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)N(CC)CC)cc1 ZINC000571066018 518910945 /nfs/dbraw/zinc/91/09/45/518910945.db2.gz AUFPQSXMXUJYIN-MRXNPFEDSA-N 0 3 359.430 2.693 20 5 FFBDHN C[C@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCCC[C@H]1C ZINC000565502248 518988227 /nfs/dbraw/zinc/98/82/27/518988227.db2.gz ABTQXLHMEPZTKM-VXGBXAGGSA-N 0 3 355.385 2.795 20 5 FFBDHN CC(C)Oc1nc(NCc2ccccc2OCCN(C)C)ccc1[N+](=O)[O-] ZINC000565666200 519072139 /nfs/dbraw/zinc/07/21/39/519072139.db2.gz KYFMCJHRHXYYCV-UHFFFAOYSA-N 0 3 374.441 2.751 20 5 FFBDHN CCOc1ccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1F ZINC000577500304 519112076 /nfs/dbraw/zinc/11/20/76/519112076.db2.gz BOOMQODHLZUEBM-OAHLLOKOSA-N 0 3 364.373 2.662 20 5 FFBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H](C)C1 ZINC000574473714 519172042 /nfs/dbraw/zinc/17/20/42/519172042.db2.gz FZTPMPAMXGDTQG-JCGVRSQUSA-N 0 3 356.426 2.878 20 5 FFBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590229343 519178306 /nfs/dbraw/zinc/17/83/06/519178306.db2.gz GQSKORACIYRODI-NSHDSACASA-N 0 3 357.332 2.828 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc(C3CCCCC3)cc2)c1 ZINC000565888457 519183248 /nfs/dbraw/zinc/18/32/48/519183248.db2.gz MGRFGKJNRCLFEK-LJQANCHMSA-N 0 3 358.442 2.990 20 5 FFBDHN C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@H]4CN(C)C[C@@H]43)cc2[N+](=O)[O-])C1 ZINC000590447594 519235200 /nfs/dbraw/zinc/23/52/00/519235200.db2.gz ZLQTZWLYMKXIPQ-ALKREAHSSA-N 0 3 372.469 2.607 20 5 FFBDHN CN(C)C[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000566030160 519253829 /nfs/dbraw/zinc/25/38/29/519253829.db2.gz INBZNJQMLIWWCP-KRWDZBQOSA-N 0 3 374.416 2.955 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000590656888 519303648 /nfs/dbraw/zinc/30/36/48/519303648.db2.gz FSEXDIZUDBNOHP-KBAYOESNSA-N 0 3 362.426 2.897 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCNC[C@@H](O)COc2ccc(Cl)cc2)cc1 ZINC000574869100 519374903 /nfs/dbraw/zinc/37/49/03/519374903.db2.gz NJOCLKVDNOGYJB-OAHLLOKOSA-N 0 3 366.801 2.657 20 5 FFBDHN Cc1ccccc1O[C@H](C)CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000572393396 519593126 /nfs/dbraw/zinc/59/31/26/519593126.db2.gz IHGIGFIKDDGNHM-CVEARBPZSA-N 0 3 360.410 2.700 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602881312 519946954 /nfs/dbraw/zinc/94/69/54/519946954.db2.gz GKALNNQSFROIFG-OAHLLOKOSA-N 0 3 352.398 2.532 20 5 FFBDHN Cc1c(CNC[C@H](O)COc2cccc3[nH]ccc32)cccc1[N+](=O)[O-] ZINC000591763518 520027890 /nfs/dbraw/zinc/02/78/90/520027890.db2.gz QLOYRLSFLHCVJM-HNNXBMFYSA-N 0 3 355.394 2.914 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccnc(OCCN(C)C)c1 ZINC000597667141 520166283 /nfs/dbraw/zinc/16/62/83/520166283.db2.gz MPDMCKJMQHPOSE-UHFFFAOYSA-N 0 3 358.398 2.799 20 5 FFBDHN COc1cc(Cn2cc(CNC3CCCCC3)nn2)c([N+](=O)[O-])cc1F ZINC000603236489 520172696 /nfs/dbraw/zinc/17/26/96/520172696.db2.gz ITHDIMWEJIDXMK-UHFFFAOYSA-N 0 3 363.393 2.805 20 5 FFBDHN Cn1c(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000609018354 520178274 /nfs/dbraw/zinc/17/82/74/520178274.db2.gz VHJWZDDDEUJUNA-MRXNPFEDSA-N 0 3 356.426 2.890 20 5 FFBDHN CN1CC[C@@]2(C1)CCCN(C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC000597711499 520191764 /nfs/dbraw/zinc/19/17/64/520191764.db2.gz TZBKDTPYZKXWBR-LJQANCHMSA-N 0 3 359.426 2.502 20 5 FFBDHN CC(C)(C)N1C[C@@H](CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CC1=O ZINC000594992050 520245632 /nfs/dbraw/zinc/24/56/32/520245632.db2.gz ACPJFKOWFQWGAT-LLVKDONJSA-N 0 3 371.384 2.933 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000592235791 520280617 /nfs/dbraw/zinc/28/06/17/520280617.db2.gz UIRIVWFYWZWZSR-UHFFFAOYSA-N 0 3 362.430 2.540 20 5 FFBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000597857638 520287325 /nfs/dbraw/zinc/28/73/25/520287325.db2.gz HSUKRNBUEDPMML-GFCCVEGCSA-N 0 3 370.247 2.960 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000609354814 520293340 /nfs/dbraw/zinc/29/33/40/520293340.db2.gz LSFOHGKDQMZRCX-BETUJISGSA-N 0 3 350.419 2.988 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000609509297 520336615 /nfs/dbraw/zinc/33/66/15/520336615.db2.gz NMUUMCBCYDROIU-FZMZJTMJSA-N 0 3 367.833 2.711 20 5 FFBDHN CCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000597945580 520344214 /nfs/dbraw/zinc/34/42/14/520344214.db2.gz ITDLLUNPUSVAKO-YPMHNXCESA-N 0 3 355.822 2.568 20 5 FFBDHN CC(C)(C)OC(=O)C1(CNCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000592374678 520356611 /nfs/dbraw/zinc/35/66/11/520356611.db2.gz NVYXAJNNFHFMEI-UHFFFAOYSA-N 0 3 350.415 2.823 20 5 FFBDHN CC[C@H]1CCCCN1CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000609599234 520373843 /nfs/dbraw/zinc/37/38/43/520373843.db2.gz GWTLCHPDKHVJCE-HNNXBMFYSA-N 0 3 364.446 2.537 20 5 FFBDHN O=[N+]([O-])c1cccc(CN[C@@]2(CO)CCCN(Cc3ccccc3)C2)c1 ZINC000609625535 520384830 /nfs/dbraw/zinc/38/48/30/520384830.db2.gz UZZVXBOFQPTBSW-FQEVSTJZSA-N 0 3 355.438 2.712 20 5 FFBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NCC1CCN(Cc2ccncc2)CC1 ZINC000598062195 520405139 /nfs/dbraw/zinc/40/51/39/520405139.db2.gz NUNYCDJRWYAGNX-UHFFFAOYSA-N 0 3 368.437 2.561 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H]2C[C@H]2c2ccc(F)cc2F)c1 ZINC000600761475 520454939 /nfs/dbraw/zinc/45/49/39/520454939.db2.gz ZVEYXXCKODZULE-QANKJYHBSA-N 0 3 364.348 2.758 20 5 FFBDHN CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCN(C2CC2)C1 ZINC000610044964 520515619 /nfs/dbraw/zinc/51/56/19/520515619.db2.gz KEDNKCLDFQKQDR-GFCCVEGCSA-N 0 3 368.231 2.666 20 5 FFBDHN C[C@H](CN1CCC(C)CC1)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000598261341 520525577 /nfs/dbraw/zinc/52/55/77/520525577.db2.gz REKTVEKUGFHLJU-OAHLLOKOSA-N 0 3 361.442 2.794 20 5 FFBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000598265969 520529080 /nfs/dbraw/zinc/52/90/80/520529080.db2.gz XDHVANXHCOEEOV-ZDUSSCGKSA-N 0 3 372.425 2.699 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000610296594 520626083 /nfs/dbraw/zinc/62/60/83/520626083.db2.gz HCJNPXLNNBGDAP-QGZVFWFLSA-N 0 3 369.421 2.950 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCC2)OC[C@H]1CN(C)C ZINC000598535317 520687681 /nfs/dbraw/zinc/68/76/81/520687681.db2.gz AXHMGWRHIQHTMX-MRXNPFEDSA-N 0 3 361.442 2.619 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000595770869 520713012 /nfs/dbraw/zinc/71/30/12/520713012.db2.gz OBJRPQFMIUHFDB-RDJZCZTQSA-N 0 3 371.441 2.576 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC([C@@H]2CCCCO2)CC1 ZINC000595785774 520723353 /nfs/dbraw/zinc/72/33/53/520723353.db2.gz ZHLKHVVUHMABQS-WMZOPIPTSA-N 0 3 364.442 2.616 20 5 FFBDHN CN1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@H](Cc2ccccc2)C1 ZINC000593088503 520735806 /nfs/dbraw/zinc/73/58/06/520735806.db2.gz FMMJHHBRNWWRLQ-LJQANCHMSA-N 0 3 355.438 2.832 20 5 FFBDHN COC(=O)c1ccnc(N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000598627702 520751234 /nfs/dbraw/zinc/75/12/34/520751234.db2.gz XQUMAXHIDPYDHV-CJNGLKHVSA-N 0 3 370.409 2.851 20 5 FFBDHN CCN1CCN(C[C@H](C)CNc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599025095 520987455 /nfs/dbraw/zinc/98/74/55/520987455.db2.gz ZOJVUKFJLORPPG-OAHLLOKOSA-N 0 3 357.458 2.829 20 5 FFBDHN O=C(CNc1ccc(C(F)F)cc1[N+](=O)[O-])NCCN1CCCCCC1 ZINC000596239823 520990761 /nfs/dbraw/zinc/99/07/61/520990761.db2.gz LBSXBNNAECLCIF-UHFFFAOYSA-N 0 3 370.400 2.937 20 5 FFBDHN Cn1c(=O)oc2ccc(CN[C@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)cc21 ZINC000599078622 521020291 /nfs/dbraw/zinc/02/02/91/521020291.db2.gz DNAFALVVGJAYCM-KBPBESRZSA-N 0 3 371.397 2.510 20 5 FFBDHN Cc1c([C@@H](C)NC[C@@H]2CN(Cc3ccncc3)CCO2)cccc1[N+](=O)[O-] ZINC000599088307 521024003 /nfs/dbraw/zinc/02/40/03/521024003.db2.gz QCEHDAOHFJXAMJ-SJLPKXTDSA-N 0 3 370.453 2.850 20 5 FFBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000611185038 521029579 /nfs/dbraw/zinc/02/95/79/521029579.db2.gz OOVYGDWAERFRHL-YLJYHZDGSA-N 0 3 371.437 2.856 20 5 FFBDHN O=C(Nc1ccc(CN2CCC(O)CC2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000611197693 521033129 /nfs/dbraw/zinc/03/31/29/521033129.db2.gz YEOMTEUHFHLPLW-UHFFFAOYSA-N 0 3 373.384 2.943 20 5 FFBDHN Cc1cc(N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c2cc([N+](=O)[O-])ccc2n1 ZINC000599167162 521067985 /nfs/dbraw/zinc/06/79/85/521067985.db2.gz PSFDPPNKPYGDIQ-KGLIPLIRSA-N 0 3 361.423 2.607 20 5 FFBDHN CN(C)CCOc1ccc(CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000618618938 521146322 /nfs/dbraw/zinc/14/63/22/521146322.db2.gz ASIPAZCHJMGGJF-UHFFFAOYSA-N 0 3 369.425 2.701 20 5 FFBDHN CN(CC1CCN(C)CC1)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599331677 521157347 /nfs/dbraw/zinc/15/73/47/521157347.db2.gz WVTCKMLREHRRQB-UHFFFAOYSA-N 0 3 370.247 2.771 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCN(Cc2ccccc2)[C@@]2(CO)CCOC2)cc1 ZINC000599395763 521197629 /nfs/dbraw/zinc/19/76/29/521197629.db2.gz JVEKQQHBQCYZQA-HXUWFJFHSA-N 0 3 372.421 2.627 20 5 FFBDHN COc1ccc(COCCN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000618759970 521217227 /nfs/dbraw/zinc/21/72/27/521217227.db2.gz FLTLJWDFZDKPHE-UHFFFAOYSA-N 0 3 360.414 2.654 20 5 FFBDHN CCOc1cc(CN2CC3(CCOCC3)CC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000599543148 521284987 /nfs/dbraw/zinc/28/49/87/521284987.db2.gz MOLFBRMFLFDWPN-INIZCTEOSA-N 0 3 364.442 2.747 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CCC(C)(N2CCOCC2)CC1 ZINC000599623139 521338977 /nfs/dbraw/zinc/33/89/77/521338977.db2.gz SOSOVBIZPBNBFG-UHFFFAOYSA-N 0 3 363.458 2.680 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@H]3CCN(c4ccccc4)C3)CC2)cn1 ZINC000602437568 521347271 /nfs/dbraw/zinc/34/72/71/521347271.db2.gz CFFBVBZFIQVXLV-QGZVFWFLSA-N 0 3 367.453 2.638 20 5 FFBDHN NCc1cccc2c1N(C(=O)CCOc1ccccc1[N+](=O)[O-])CCC2 ZINC000602539726 521402221 /nfs/dbraw/zinc/40/22/21/521402221.db2.gz JGLACDHKAPEPFX-UHFFFAOYSA-N 0 3 355.394 2.802 20 5 FFBDHN CN(Cc1ccccc1)C[C@H](O)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000612031650 521446497 /nfs/dbraw/zinc/44/64/97/521446497.db2.gz OOCPLDIECPXBIX-SFHVURJKSA-N 0 3 366.421 2.951 20 5 FFBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000594198965 521465156 /nfs/dbraw/zinc/46/51/56/521465156.db2.gz WQICGJKXWJUHKM-KGLIPLIRSA-N 0 3 369.368 2.943 20 5 FFBDHN CN(C[C@H]1CCCN(C)C1)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830658 521500099 /nfs/dbraw/zinc/50/00/99/521500099.db2.gz WGIBPAJTDDCFSM-ZDUSSCGKSA-N 0 3 357.414 2.949 20 5 FFBDHN CN1CCC2(CCCN2C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC000597101827 521507886 /nfs/dbraw/zinc/50/78/86/521507886.db2.gz USDHALDVTZUURY-UHFFFAOYSA-N 0 3 367.837 2.923 20 5 FFBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H]1CCCc2c1cnn2CCO ZINC000615720639 521512850 /nfs/dbraw/zinc/51/28/50/521512850.db2.gz ZSPPAZDICIGKBJ-PMXLPMHFSA-N 0 3 356.426 2.854 20 5 FFBDHN C[C@](O)(CO)CNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000619464244 521582752 /nfs/dbraw/zinc/58/27/52/521582752.db2.gz DTHGLOJJWAMKOR-QGZVFWFLSA-N 0 3 366.801 2.873 20 5 FFBDHN C[C@@H]1Oc2ccccc2OC1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000517405938 562089162 /nfs/dbraw/zinc/08/91/62/562089162.db2.gz LBVNWTVZFTUBES-VFZGTOFNSA-N 0 3 354.322 2.638 20 5 FFBDHN C[C@H]([NH2+]CCOc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000820420468 606619269 /nfs/dbraw/zinc/61/92/69/606619269.db2.gz RJQQTYHJVBPQDC-LBPRGKRZSA-N 0 3 354.370 2.505 20 5 FFBDHN Cc1c([C@H](C)[NH2+]CCOc2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000826235688 608280362 /nfs/dbraw/zinc/28/03/62/608280362.db2.gz OXYAQLWAQAMWIJ-ZDUSSCGKSA-N 0 3 368.397 2.813 20 5 FFBDHN C[C@H]([NH2+]CCOc1cccc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000824599792 608470117 /nfs/dbraw/zinc/47/01/17/608470117.db2.gz SMNLFMZAJUPZFN-LBPRGKRZSA-N 0 3 354.370 2.505 20 5 FFBDHN COc1cc2ncnc(N3CCN(C4CCCC4)CC3)c2cc1[N+](=O)[O-] ZINC001165028125 721856552 /nfs/dbraw/zinc/85/65/52/721856552.db2.gz JZUXEQDSXBFGCW-UHFFFAOYSA-N 0 3 357.414 2.611 20 5 FFBDHN CCOC(=O)CC[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000162041488 728938398 /nfs/dbraw/zinc/93/83/98/728938398.db2.gz HPTORXQLSDURJJ-YOEHRIQHSA-N 0 3 350.415 2.684 20 5 FFBDHN CCCN(CC)CCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000080677950 728330373 /nfs/dbraw/zinc/33/03/73/728330373.db2.gz VFBDJWKNMQLZTK-UHFFFAOYSA-N 0 3 365.402 2.735 20 5 FFBDHN O=[N+]([O-])c1ccc(Br)cc1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091672675 728461019 /nfs/dbraw/zinc/46/10/19/728461019.db2.gz YTOONPZCDIWBCI-VXGBXAGGSA-N 0 3 356.220 2.632 20 5 FFBDHN CCCCN1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)CC1 ZINC000132319189 728724222 /nfs/dbraw/zinc/72/42/22/728724222.db2.gz NQXZPKQWOFUTOU-UHFFFAOYSA-N 0 3 373.450 2.585 20 5 FFBDHN COCCN1CCCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856724131 730350301 /nfs/dbraw/zinc/35/03/01/730350301.db2.gz URAOBYLOVMTNOQ-UHFFFAOYSA-N 0 3 358.236 2.516 20 5 FFBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000857634723 730403325 /nfs/dbraw/zinc/40/33/25/730403325.db2.gz MISRELFAPSDUQA-LLVKDONJSA-N 0 3 370.247 2.960 20 5 FFBDHN O=C(OCCC[N+](=O)[O-])C1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000860916253 730559145 /nfs/dbraw/zinc/55/91/45/730559145.db2.gz RDNSEJVPVZLBJM-SNVBAGLBSA-N 0 3 361.181 2.556 20 5 FFBDHN COc1cnc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c(F)c1 ZINC000870454421 731516461 /nfs/dbraw/zinc/51/64/61/731516461.db2.gz KPDJTCUWNOTPHG-BJOHPYRUSA-N 0 3 352.293 2.932 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N2CCN(C)C(C)(C)CC2)cc1SC ZINC000871153331 731600412 /nfs/dbraw/zinc/60/04/12/731600412.db2.gz LPPFDQORENZCJR-UHFFFAOYSA-N 0 3 367.471 2.882 20 5 FFBDHN CN1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCC1(C)C ZINC000871155587 731600877 /nfs/dbraw/zinc/60/08/77/731600877.db2.gz TXHZSPBMWHNRLN-UHFFFAOYSA-N 0 3 370.247 2.914 20 5 FFBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000874825287 732104273 /nfs/dbraw/zinc/10/42/73/732104273.db2.gz ITZLMAKJJMOMKW-UONOGXRCSA-N 0 3 357.332 2.922 20 5 FFBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2Cc3ccccc3CN2)c1 ZINC000877346278 732347354 /nfs/dbraw/zinc/34/73/54/732347354.db2.gz QOUTUZDQRSWPSH-CQSZACIVSA-N 0 3 357.435 2.761 20 5 FFBDHN CN(CCN1CC2(C1)CCOCC2)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000877765894 732425963 /nfs/dbraw/zinc/42/59/63/732425963.db2.gz LWICCFMPGGSUOY-UHFFFAOYSA-N 0 3 353.850 2.792 20 5 FFBDHN CO[C@@H]1COCC[C@@H]1N(C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000880437534 732908169 /nfs/dbraw/zinc/90/81/69/732908169.db2.gz MMQLHCIJCCPMNS-GXTWGEPZSA-N 0 3 359.220 2.593 20 5 FFBDHN O=C(NC[C@H]1CCN1C1CCOCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000927646679 738765694 /nfs/dbraw/zinc/76/56/94/738765694.db2.gz WFZMMGDMONQNTA-CYBMUJFWSA-N 0 3 368.821 2.623 20 5 FFBDHN COc1cc([C@H](C)NCC[S@@](=O)CC(F)(F)F)cc([N+](=O)[O-])c1 ZINC000903201655 736054179 /nfs/dbraw/zinc/05/41/79/736054179.db2.gz ZAXTVOSKMQFOEU-YGWIHHTISA-N 0 3 354.350 2.565 20 5 FFBDHN C[C@H]1CCN(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000755022773 736227406 /nfs/dbraw/zinc/22/74/06/736227406.db2.gz YDYGWDMXXXPJDK-VIFPVBQESA-N 0 3 374.210 2.568 20 5 FFBDHN CS[C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000758790063 736521333 /nfs/dbraw/zinc/52/13/33/736521333.db2.gz FVIFAYDQCBUTDZ-GJZGRUSLSA-N 0 3 369.874 2.900 20 5 FFBDHN CN(C(=O)CCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CN2CCC1CC2 ZINC000906647448 736528861 /nfs/dbraw/zinc/52/88/61/736528861.db2.gz CWTNAIDDHXPCJD-MRXNPFEDSA-N 0 3 351.834 2.733 20 5 FFBDHN CN(C)CCn1nccc1NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000908441905 736776046 /nfs/dbraw/zinc/77/60/46/736776046.db2.gz FQEJFBWCYLSXGK-UHFFFAOYSA-N 0 3 365.821 2.578 20 5 FFBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Br)OCCN1CCCCC1 ZINC000770399643 737623108 /nfs/dbraw/zinc/62/31/08/737623108.db2.gz XWWWMQBFKIZZMQ-UHFFFAOYSA-N 0 3 371.231 2.929 20 5 FFBDHN O=[N+]([O-])c1ccc(NC2CCN(C[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000917063961 737739085 /nfs/dbraw/zinc/73/90/85/737739085.db2.gz FLPUUQKFCQQCQR-CQSZACIVSA-N 0 3 350.375 2.558 20 5 FFBDHN C[C@@H]1[C@@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCN1C ZINC000922226254 738108145 /nfs/dbraw/zinc/10/81/45/738108145.db2.gz USWXYTVQZPSAJK-RNCFNFMXSA-N 0 3 360.336 2.505 20 5 FFBDHN COc1cc(CNC[C@@H]2CC[C@H](C(F)(F)F)O2)c([N+](=O)[O-])cc1O ZINC000922462982 738149445 /nfs/dbraw/zinc/14/94/45/738149445.db2.gz QAHNURMNWICEPF-TVQRCGJNSA-N 0 3 350.293 2.509 20 5 FFBDHN O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCN(C2CC2)C1=O ZINC000924059851 738365328 /nfs/dbraw/zinc/36/53/28/738365328.db2.gz VPAVWHQDQOYNOL-LBPRGKRZSA-N 0 3 352.774 2.692 20 5 FFBDHN COC[C@H](NCc1cc([N+](=O)[O-])ccc1Br)C1CCOCC1 ZINC000930923908 739186353 /nfs/dbraw/zinc/18/63/53/739186353.db2.gz LHNFTYKGKJRPJN-HNNXBMFYSA-N 0 3 373.247 2.889 20 5 FFBDHN Cc1ccc(OS(=O)(=O)c2ccc(CN(C)C)cc2)cc1[N+](=O)[O-] ZINC000788662488 739269793 /nfs/dbraw/zinc/26/97/93/739269793.db2.gz UIRBYWWBTCSHHP-UHFFFAOYSA-N 0 3 350.396 2.733 20 5 FFBDHN CCc1ccc(OS(=O)(=O)c2ccc(CN(C)C)cc2)c([N+](=O)[O-])c1 ZINC000790025179 739408470 /nfs/dbraw/zinc/40/84/70/739408470.db2.gz XULJVKFHTFQFQO-UHFFFAOYSA-N 0 3 364.423 2.987 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)NCc2ccc(C(F)F)cc2)cc1 ZINC000792981856 739726328 /nfs/dbraw/zinc/72/63/28/739726328.db2.gz ZARLAERFBWAINA-HZPDHXFCSA-N 0 3 352.337 2.717 20 5 FFBDHN COCCN1CC[C@@H](Nc2ccc(C)c(Br)c2[N+](=O)[O-])C1 ZINC000804442285 740874468 /nfs/dbraw/zinc/87/44/68/740874468.db2.gz ULRSYVKVJLWCER-LLVKDONJSA-N 0 3 358.236 2.798 20 5 FFBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000805821692 741014230 /nfs/dbraw/zinc/01/42/30/741014230.db2.gz MGSIHPOPHPTYNA-DLBZAZTESA-N 0 3 350.802 2.995 20 5 FFBDHN CC(C)c1ccc(-n2cnnc2SCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813099849 741677050 /nfs/dbraw/zinc/67/70/50/741677050.db2.gz FISQTIQGCPFVGW-LBPRGKRZSA-N 0 3 364.427 2.691 20 5 FFBDHN CC(COC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813104796 741677325 /nfs/dbraw/zinc/67/73/25/741677325.db2.gz HNKUGCRXAPEJIA-RYUDHWBXSA-N 0 3 351.359 2.653 20 5 FFBDHN COc1ccc(C(=O)Nc2ccc(C(=O)OCC(C)[N+](=O)[O-])s2)cc1 ZINC000813110045 741677718 /nfs/dbraw/zinc/67/77/18/741677718.db2.gz RIRXISLTQQVWMU-JTQLQIEISA-N 0 3 364.379 2.831 20 5 FFBDHN CC(COC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)[N+](=O)[O-] ZINC000813110239 741677797 /nfs/dbraw/zinc/67/77/97/741677797.db2.gz VKAHXPXRXVEDIX-PSASIEDQSA-N 0 3 361.181 2.555 20 5 FFBDHN Cc1c2cc(Br)ccc2oc(=O)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813107459 741677905 /nfs/dbraw/zinc/67/79/05/741677905.db2.gz NSZSJADHTWKWJF-SSDOTTSWSA-N 0 3 370.155 2.686 20 5 FFBDHN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813113224 741678286 /nfs/dbraw/zinc/67/82/86/741678286.db2.gz OKPXBFVHEPRTTD-RISCZKNCSA-N 0 3 356.806 2.693 20 5 FFBDHN CC(COC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)[N+](=O)[O-] ZINC000813115565 741678877 /nfs/dbraw/zinc/67/88/77/741678877.db2.gz VKVBNDSYRFVJTC-LLVKDONJSA-N 0 3 358.379 2.818 20 5 FFBDHN N[C@@H]1CCCc2cn(Cc3ccc(Br)c([N+](=O)[O-])c3)nc21 ZINC000818617620 742284295 /nfs/dbraw/zinc/28/42/95/742284295.db2.gz DSQGCUWJTRCADB-GFCCVEGCSA-N 0 3 351.204 2.938 20 5 FFBDHN CCOC(=O)C1CCC(O)(CNCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000819148804 742344340 /nfs/dbraw/zinc/34/43/40/742344340.db2.gz DREXKIOSJPADNG-UHFFFAOYSA-N 0 3 370.833 2.822 20 5 FFBDHN COc1ccc(CN[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000824644951 743121561 /nfs/dbraw/zinc/12/15/61/743121561.db2.gz VEKTXCPZZDLVJQ-VXGBXAGGSA-N 0 3 353.419 2.995 20 5 FFBDHN CO[C@@H]1C[C@H](NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C12CCC2 ZINC000839191036 746798378 /nfs/dbraw/zinc/79/83/78/746798378.db2.gz NHSXUJVWDXTUFB-UONOGXRCSA-N 0 3 353.806 2.734 20 5 FFBDHN CC(COC(=O)c1nn(-c2ccc(Cl)c(F)c2)c2c1CCC2)[N+](=O)[O-] ZINC000842801146 747692825 /nfs/dbraw/zinc/69/28/25/747692825.db2.gz DKVYFAKCCSZLIF-SECBINFHSA-N 0 3 367.764 2.976 20 5 FFBDHN CC([C@H](OC(=O)c1ccn(CC(F)F)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845881471 748343232 /nfs/dbraw/zinc/34/32/32/748343232.db2.gz LATPHQFXJIGVSH-OTYXRUKQSA-N 0 3 357.288 2.851 20 5 FFBDHN CC([C@H](OC(=O)Cc1cn(C)nc1Cl)c1ccccc1F)[N+](=O)[O-] ZINC000845879321 748343596 /nfs/dbraw/zinc/34/35/96/748343596.db2.gz IPGLZMUSYSJRCZ-OTYXRUKQSA-N 0 3 355.753 2.705 20 5 FFBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(C2CCCC2)[C@H](C)C1 ZINC001176154997 1013647847 /nfs/dbraw/zinc/64/78/47/1013647847.db2.gz TVZBNJJDKFURJY-CABCVRRESA-N 0 3 360.458 2.871 20 5 FFBDHN CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)Cc1cnc[nH]1 ZINC001176832077 1013784456 /nfs/dbraw/zinc/78/44/56/1013784456.db2.gz HCWJQLAOSUYOGE-UHFFFAOYSA-N 0 3 361.405 2.861 20 5 FFBDHN C[C@@H]1NC[C@@H]1Oc1c(Br)cc(Br)cc1[N+](=O)[O-] ZINC001218385337 969898143 /nfs/dbraw/zinc/89/81/43/969898143.db2.gz LGVCJOROURHZEO-CDUCUWFYSA-N 0 3 366.009 2.859 20 5 FFBDHN O=[N+]([O-])c1cnn(C2CC(NC[C@](O)(c3ccccc3)C(F)(F)F)C2)c1 ZINC000877006496 1014447118 /nfs/dbraw/zinc/44/71/18/1014447118.db2.gz KXDOSMHKNMYAJY-PIMMBPRGSA-N 0 3 370.331 2.535 20 5 FFBDHN COc1cccc(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)c1[N+](=O)[O-] ZINC000192456043 981874238 /nfs/dbraw/zinc/87/42/38/981874238.db2.gz RUOFDIPAJMNZLD-INIZCTEOSA-N 0 3 357.410 2.945 20 5 FFBDHN C[C@@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000173508324 985854509 /nfs/dbraw/zinc/85/45/09/985854509.db2.gz QMFHOEOBXJYGCZ-OAHLLOKOSA-N 0 3 368.437 2.914 20 5 FFBDHN COc1cc(CN[C@@H]2COC[C@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000914435949 987666286 /nfs/dbraw/zinc/66/62/86/987666286.db2.gz MUVDQGRMZICLMJ-QWHCGFSZSA-N 0 3 372.368 2.762 20 5 FFBDHN O=C1[C@@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCN1c1ccccc1F ZINC000763369119 989778876 /nfs/dbraw/zinc/77/88/76/989778876.db2.gz PYZGOYOMDUAXRB-FUHWJXTLSA-N 0 3 373.384 2.553 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CCc1ccccc1)CCN(C)C ZINC000916384225 989783771 /nfs/dbraw/zinc/78/37/71/989783771.db2.gz XHYBKFIBVXIPQK-UHFFFAOYSA-N 0 3 356.426 2.545 20 5 FFBDHN C[C@@H]1CCCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000918577715 990436171 /nfs/dbraw/zinc/43/61/71/990436171.db2.gz NWUVFSUMBNWUFZ-OAHLLOKOSA-N 0 3 360.458 2.657 20 5 FFBDHN CC(COC(=O)c1cccc(OCc2cn3ccccc3n2)c1)[N+](=O)[O-] ZINC000813110843 995625571 /nfs/dbraw/zinc/62/55/71/995625571.db2.gz KNFQGCSRDFMGRP-CYBMUJFWSA-N 0 3 355.350 2.735 20 5 FFBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1cc([N+](=O)[O-])cn1C ZINC000824415871 996947523 /nfs/dbraw/zinc/94/75/23/996947523.db2.gz KUCZCSNEEFIHMB-WBVHZDCISA-N 0 3 354.410 2.690 20 5 FFBDHN CC(C)(C)N1CC[C@H]1COC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000845738310 998630219 /nfs/dbraw/zinc/63/02/19/998630219.db2.gz DYAFHDHSTCKROA-AWEZNQCLSA-N 0 3 358.398 2.810 20 5 FFBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1ccc(-n2cncn2)nc1 ZINC000786810312 1001630700 /nfs/dbraw/zinc/63/07/00/1001630700.db2.gz VGAXJYNYCYLHME-VGOFMYFVSA-N 0 3 350.382 2.764 20 5 FFBDHN Cc1cc(F)ccc1[C@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000746669446 1001681972 /nfs/dbraw/zinc/68/19/72/1001681972.db2.gz CLPAQVNUVQOFET-WMLDXEAASA-N 0 3 360.389 2.657 20 5 FFBDHN N=C(COc1ccccc1F)NOCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789591975 1002133571 /nfs/dbraw/zinc/13/35/71/1002133571.db2.gz PDOJNRGCTMNMNQ-UHFFFAOYSA-N 0 3 364.289 2.720 20 5 FFBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000791315587 1002664897 /nfs/dbraw/zinc/66/48/97/1002664897.db2.gz DFGZDSVMDNSCQG-QGZVFWFLSA-N 0 3 372.400 2.883 20 5 FFBDHN COC(=O)C[C@@H](N[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])c1cccnc1 ZINC001170313301 1003103942 /nfs/dbraw/zinc/10/39/42/1003103942.db2.gz KUPLQDBCZBDXTQ-CXAGYDPISA-N 0 3 373.409 2.823 20 5 FFBDHN COc1ccc(C[C@@H](C)N2CCC(c3nncn3C)CC2)c([N+](=O)[O-])c1 ZINC001170352669 1003121193 /nfs/dbraw/zinc/12/11/93/1003121193.db2.gz PTOLAMPKBXTSHC-CYBMUJFWSA-N 0 3 359.430 2.543 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCN[C@@H](c3ccc(O)cc3)C2)c2ccncc21 ZINC001187497152 1006117872 /nfs/dbraw/zinc/11/78/72/1006117872.db2.gz MDARDEOBIWUBCE-QGZVFWFLSA-N 0 3 350.378 3.000 20 5 FFBDHN C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000817288912 1007510262 /nfs/dbraw/zinc/51/02/62/1007510262.db2.gz OWMMJTVIQKUWMJ-KMFMINBZSA-N 0 3 364.442 2.928 20 5 FFBDHN Cc1ccc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)c(O[C@@H]2CCOC2)c1 ZINC000819153522 1008045053 /nfs/dbraw/zinc/04/50/53/1008045053.db2.gz HCRUHTNUSTXBAB-MOPGFXCFSA-N 0 3 372.421 2.894 20 5 FFBDHN O=C1[C@@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCN1C1CCCCC1 ZINC000819253530 1008070841 /nfs/dbraw/zinc/07/08/41/1008070841.db2.gz GNJAKCKZQWNLFQ-ZWKOTPCHSA-N 0 3 361.442 2.542 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCCN(Cc3ccc(F)cc3)CC2)c1 ZINC000136897651 1008555395 /nfs/dbraw/zinc/55/53/95/1008555395.db2.gz IDYSAGGAMNNLCZ-HXUWFJFHSA-N 0 3 373.428 2.975 20 5 FFBDHN Cc1c(C(=O)N(CCN(C)C)CC(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000826539310 1009052481 /nfs/dbraw/zinc/05/24/81/1009052481.db2.gz RFJZAQRFUCBENR-UHFFFAOYSA-N 0 3 366.418 2.780 20 5 FFBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OC[C@@]1(C)C[C@@H](OC)CN1C ZINC000861348303 1009364268 /nfs/dbraw/zinc/36/42/68/1009364268.db2.gz NZBJXQKSXAWCAH-SZVBFZGTSA-N 0 3 364.442 2.816 20 5 FFBDHN CC(C)[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1 ZINC000794602232 1010435233 /nfs/dbraw/zinc/43/52/33/1010435233.db2.gz CZUZZVQVSJBGPU-UXHICEINSA-N 0 3 371.437 2.905 20 5 FFBDHN C[C@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000865697265 1010844037 /nfs/dbraw/zinc/84/40/37/1010844037.db2.gz VKDXAVVWARTBJL-CQSZACIVSA-N 0 3 359.401 2.913 20 5 FFBDHN CCN(C/C(Cl)=C/Cl)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001274950534 1011773838 /nfs/dbraw/zinc/77/38/38/1011773838.db2.gz QUBUOYDVQCKVEV-GJQIVEAUSA-N 0 3 364.273 2.531 20 5 FFBDHN Cc1cnc(N2CCN([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)nc1 ZINC001172914134 1012096124 /nfs/dbraw/zinc/09/61/24/1012096124.db2.gz ZUZJYEJNCYXQBS-GOSISDBHSA-N 0 3 367.453 2.763 20 5 FFBDHN CN(Cc1ccncn1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173019965 1012192273 /nfs/dbraw/zinc/19/22/73/1012192273.db2.gz NEQAGUCLYCCSRZ-UHFFFAOYSA-N 0 3 363.368 2.764 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCC(=O)NC2CCCCC2)c1F ZINC001173176421 1012318719 /nfs/dbraw/zinc/31/87/19/1012318719.db2.gz HAXLYGCENGPHFU-LBPRGKRZSA-N 0 3 367.421 2.712 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCc2ccnn2CCF)c1F ZINC001173181974 1012326626 /nfs/dbraw/zinc/32/66/26/1012326626.db2.gz XTMJGGMDDOGCPM-LLVKDONJSA-N 0 3 354.357 2.629 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCCc3ccc(CN)nc32)c1F ZINC001173191578 1012332512 /nfs/dbraw/zinc/33/25/12/1012332512.db2.gz MUSDFMBGWNJLLY-LBPRGKRZSA-N 0 3 374.416 2.980 20 5 FFBDHN CC([C@@H](OC(=O)/C=C/COC1CCOCC1)c1ccccc1F)[N+](=O)[O-] ZINC000870454887 1012389851 /nfs/dbraw/zinc/38/98/51/1012389851.db2.gz QFZBIWZTOKXWJW-HWRORLEJSA-N 0 3 367.373 2.827 20 5 FFBDHN C[C@@]1(NC(=O)c2cc([N+](=O)[O-])ccc2N)CCN(Cc2ccccc2)C1 ZINC000406045879 1032846565 /nfs/dbraw/zinc/84/65/65/1032846565.db2.gz UZTCIQBUAQRDBL-LJQANCHMSA-N 0 3 354.410 2.571 20 5 FFBDHN C[C@@H](NCC(=O)NC[C@H](c1ccccc1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000932177400 1020733835 /nfs/dbraw/zinc/73/38/35/1020733835.db2.gz PFYWMXXDMOESPP-DNVCBOLYSA-N 0 3 370.453 2.665 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](NCCN2CCCOCC2)c2ccccc2)c1 ZINC000903228530 1020751769 /nfs/dbraw/zinc/75/17/69/1020751769.db2.gz SAFKETSANBWJPC-HXUWFJFHSA-N 0 3 355.438 2.996 20 5 FFBDHN COc1cc(C(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1O[C@@H]1CNC[C@@H]1F ZINC001217997919 1032940208 /nfs/dbraw/zinc/94/02/08/1032940208.db2.gz HDLSJGGJGGFGQY-WMLDXEAASA-N 0 3 374.368 2.832 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@H](CO)c2ccccc2C(F)(F)F)cc1 ZINC000933241343 1020983087 /nfs/dbraw/zinc/98/30/87/1020983087.db2.gz KRAQNBJWGNIDHV-CVEARBPZSA-N 0 3 370.327 2.970 20 5 FFBDHN COC(=O)CCN(Cc1ccccc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750056645 1021284612 /nfs/dbraw/zinc/28/46/12/1021284612.db2.gz YNPLNVLMPJXANG-SFHVURJKSA-N 0 3 358.394 2.694 20 5 FFBDHN COc1cc(O[C@H]2CC[NH2+][C@H](C)C2)c2c(c1)oc1c([O-])ccc(O)c1c2=O ZINC001218052457 1032973562 /nfs/dbraw/zinc/97/35/62/1032973562.db2.gz BJKPHNREQJSPRV-MNOVXSKESA-N 0 3 371.389 2.885 20 5 FFBDHN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000016599431 1022281608 /nfs/dbraw/zinc/28/16/08/1022281608.db2.gz SXGBBQJAPJXTNY-QGZVFWFLSA-N 0 3 372.381 2.844 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ncn(CN3CC[C@@H](C4CCOCC4)C3)n2)cc1 ZINC000754782622 1023517015 /nfs/dbraw/zinc/51/70/15/1023517015.db2.gz JINQFYRGHJSEMD-MRXNPFEDSA-N 0 3 357.414 2.559 20 5 FFBDHN CC([C@@H](OC(=O)C[C@@H]1NC(=O)c2ccccc21)c1ccccc1F)[N+](=O)[O-] ZINC001123018114 1023596674 /nfs/dbraw/zinc/59/66/74/1023596674.db2.gz BKUFRVWTOFGJKI-DPZKZMLUSA-N 0 3 372.352 2.950 20 5 FFBDHN COc1nc(NCC2CCN(Cc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC001161243199 1028090717 /nfs/dbraw/zinc/09/07/17/1028090717.db2.gz MQKXLZVCEMKIAK-UHFFFAOYSA-N 0 3 357.414 2.718 20 5 FFBDHN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000249943421 1028406472 /nfs/dbraw/zinc/40/64/72/1028406472.db2.gz XHWFCKSHZXPAKH-VXGBXAGGSA-N 0 3 364.402 2.662 20 5 FFBDHN CNC(=O)c1ccc(N[C@H]2CCN(Cc3cccc(C)c3)C2)c([N+](=O)[O-])c1 ZINC001163831721 1029083485 /nfs/dbraw/zinc/08/34/85/1029083485.db2.gz UHTGSUHTAPTLSX-KRWDZBQOSA-N 0 3 368.437 2.949 20 5 FFBDHN O=[N+]([O-])c1cnc(N2CCN[C@@H](c3ccccc3)C2)c(Br)c1 ZINC001164190725 1029196043 /nfs/dbraw/zinc/19/60/43/1029196043.db2.gz KWNCOQPPNINUBW-CQSZACIVSA-N 0 3 363.215 2.903 20 5 FFBDHN CSc1nc(Cl)nc(-n2nc(CN)c3ccccc32)c1[N+](=O)[O-] ZINC001156855705 1029378753 /nfs/dbraw/zinc/37/87/53/1029378753.db2.gz MXPTVSUNOLUNBA-UHFFFAOYSA-N 0 3 350.791 2.558 20 5 FFBDHN O=C(CCN[C@H](CO)c1cccc(F)c1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782532191 1029734009 /nfs/dbraw/zinc/73/40/09/1029734009.db2.gz XOESDNDCDOZQIW-MRXNPFEDSA-N 0 3 365.336 2.525 20 5 FFBDHN O=C1NCC2(CCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)O1 ZINC000783724299 1030254302 /nfs/dbraw/zinc/25/43/02/1030254302.db2.gz UGERXVFPVFVURV-UHFFFAOYSA-N 0 3 357.366 2.929 20 5 FFBDHN CN1CCC(Oc2ccc([N+](=O)[O-])cc2I)CC1 ZINC001226031346 1034499423 /nfs/dbraw/zinc/49/94/23/1034499423.db2.gz AFWWQJZTQBFFOT-UHFFFAOYSA-N 0 3 362.167 2.672 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001140895721 1036403580 /nfs/dbraw/zinc/40/35/80/1036403580.db2.gz GAWKMCWKICXDBQ-HNNXBMFYSA-N 0 3 368.437 2.771 20 5 FFBDHN CCOC(=O)c1ccc(Br)c([O-])c1O[C@H](C)C[N+](C)(C)C ZINC001234609635 1037111767 /nfs/dbraw/zinc/11/17/67/1037111767.db2.gz RAMARUIMNWHDAH-SNVBAGLBSA-O 0 3 361.256 2.805 20 5 FFBDHN COCCN1CCC(Oc2ccc3nc4ccc(=O)cc-4oc3c2)CC1 ZINC001231334801 1037536452 /nfs/dbraw/zinc/53/64/52/1037536452.db2.gz LNCQELFULBNGHN-UHFFFAOYSA-N 0 3 354.406 2.782 20 5 FFBDHN C[NH+]1CCN(c2cccc3[nH]c(-c4cc([O-])cc([N+](=O)[O-])c4)nc32)CC1 ZINC001251389212 1039107352 /nfs/dbraw/zinc/10/73/52/1039107352.db2.gz CGBPFJUORKFFBW-UHFFFAOYSA-N 0 3 353.382 2.596 20 5 FFBDHN COc1cc(OC)cc(-c2noc(C[C@@H](N)c3ccccc3[N+](=O)[O-])n2)c1 ZINC001249342116 1040692418 /nfs/dbraw/zinc/69/24/18/1040692418.db2.gz IDBNOCZASKNXNW-OAHLLOKOSA-N 0 3 370.365 2.905 20 5 FFBDHN COc1nc(C)ccc1-c1noc(C[C@@H](N)c2ccccc2[N+](=O)[O-])n1 ZINC001249342565 1040692505 /nfs/dbraw/zinc/69/25/05/1040692505.db2.gz OOCVHIYFXGBSTG-CYBMUJFWSA-N 0 3 355.354 2.599 20 5 FFBDHN N[C@H](Cc1nc(-c2ccc3nccnc3c2)no1)c1ccccc1[N+](=O)[O-] ZINC001249341865 1040692941 /nfs/dbraw/zinc/69/29/41/1040692941.db2.gz DRNRIORXOJSWQS-CYBMUJFWSA-N 0 3 362.349 2.831 20 5 FFBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1ccnc(OC2CCOCC2)n1 ZINC001254549614 1040792623 /nfs/dbraw/zinc/79/26/23/1040792623.db2.gz UQDBNJHDBMOJGW-AWEZNQCLSA-N 0 3 372.425 2.663 20 5 FFBDHN COC(=O)C[C@@H](N[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccc(O)c1 ZINC001254580498 1040812862 /nfs/dbraw/zinc/81/28/62/1040812862.db2.gz FYUOXLLOTLYTMX-CRAIPNDOSA-N 0 3 356.378 2.662 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCN(CCc3ccccc3)CC1)C2 ZINC001254600760 1040831801 /nfs/dbraw/zinc/83/18/01/1040831801.db2.gz RHPYQNNESWXRIU-OAQYLSRUSA-N 0 3 351.450 2.922 20 5 FFBDHN CCOc1cc(NC(=O)N[C@H]2CCN(C)[C@@H]2C)c([N+](=O)[O-])cc1OCC ZINC001309999359 1043621399 /nfs/dbraw/zinc/62/13/99/1043621399.db2.gz BIEXEXYXHKCTRY-NEPJUHHUSA-N 0 3 366.418 2.606 20 5 FFBDHN CS(=O)(=O)c1ccc(CNCCCCc2ccc([N+](=O)[O-])cc2)o1 ZINC001331382619 1047904229 /nfs/dbraw/zinc/90/42/29/1047904229.db2.gz MNZCRQXTGMJVGN-UHFFFAOYSA-N 0 3 352.412 2.704 20 5 FFBDHN COc1c([O-])ccc(C[NH2+]C[C@H]2CCN(c3ccccc3)C2)c1[N+](=O)[O-] ZINC001333658117 1049034229 /nfs/dbraw/zinc/03/42/29/1049034229.db2.gz MZCHCMKTJBWAES-CQSZACIVSA-N 0 3 357.410 2.925 20 5 FFBDHN O=C(c1ccc([N+](=O)[O-])cc1)N1C[C@H](C[C@@H]2COCCN2)c2ccccc21 ZINC001341360672 1051718931 /nfs/dbraw/zinc/71/89/31/1051718931.db2.gz QFMZDLFFTSYLGQ-JKSUJKDBSA-N 0 3 367.405 2.717 20 5 FFBDHN C[C@@H]1CN[C@@H](C)[C@@H](C)N1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC001344845487 1052058596 /nfs/dbraw/zinc/05/85/96/1052058596.db2.gz BRDAWFRTFDLBLL-OWCLPIDISA-N 0 3 363.461 2.752 20 5 FFBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001307929414 1052367299 /nfs/dbraw/zinc/36/72/99/1052367299.db2.gz YHXWIMKBHPTTEV-ZGMNHVEMSA-N 0 3 358.398 2.799 20 5 FFBDHN CCN(CCNC(=O)OC(C)(C)C)CCOc1ccc([N+](=O)[O-])cc1 ZINC001307935977 1052368175 /nfs/dbraw/zinc/36/81/75/1052368175.db2.gz GFCYOEYDMMXBSL-UHFFFAOYSA-N 0 3 353.419 2.820 20 5 FFBDHN C[C@@H](NCCOCCNC(=O)OC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC001308049179 1052393249 /nfs/dbraw/zinc/39/32/49/1052393249.db2.gz BTAFALYEGLFNFK-CYBMUJFWSA-N 0 3 353.419 2.787 20 5 FFBDHN COc1ccc(-c2cc(CNC3CC(n4cc([N+](=O)[O-])cn4)C3)on2)cc1 ZINC001308860704 1052509333 /nfs/dbraw/zinc/50/93/33/1052509333.db2.gz QUKJJJAGKGVRDY-UHFFFAOYSA-N 0 3 369.381 2.948 20 5 FFBDHN CCOC(=O)c1cc(-c2nc([C@H]3CN4CCC3CC4)no2)cc([N+](=O)[O-])c1 ZINC001337927900 1055109031 /nfs/dbraw/zinc/10/90/31/1055109031.db2.gz CLFDSGHUQRLWLW-HNNXBMFYSA-N 0 3 372.381 2.631 20 5 FFBDHN O=[N+]([O-])c1ccc(C(F)(F)F)cc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001356499995 1055538829 /nfs/dbraw/zinc/53/88/29/1055538829.db2.gz XQBKMAHWHMYPIR-GFCCVEGCSA-N 0 3 359.348 2.772 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001543997504 1071579854 /nfs/dbraw/zinc/57/98/54/1071579854.db2.gz MPJSZVMPIXSIDJ-HNNXBMFYSA-N 0 3 368.437 2.914 20 5 FFBDHN CCC(CC)Nc1ccncc1NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000848108200 1059010554 /nfs/dbraw/zinc/01/05/54/1059010554.db2.gz FRELOUFDVGEZHT-QGZVFWFLSA-N 0 3 358.398 2.684 20 5 FFBDHN COc1ccc(OC(=O)C2CCN(Cc3ccccc3)C2=O)c([N+](=O)[O-])c1 ZINC001515433954 1059659044 /nfs/dbraw/zinc/65/90/44/1059659044.db2.gz WPVKGAQROCWBAG-OAHLLOKOSA-N 0 3 370.361 2.558 20 5 FFBDHN COc1ccc(OC)c([C@@H](O)CN[C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000848522841 1060214830 /nfs/dbraw/zinc/21/48/30/1060214830.db2.gz YJAALBOFZSDHOU-WMZOPIPTSA-N 0 3 358.394 2.923 20 5 FFBDHN O=C(COC(=O)[C@H]1CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000848774734 1060660779 /nfs/dbraw/zinc/66/07/79/1060660779.db2.gz QZCPCYPKWWXMEY-KRWDZBQOSA-N 0 3 368.389 2.843 20 5 FFBDHN O=C(COC(=O)[C@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000848774849 1060661497 /nfs/dbraw/zinc/66/14/97/1060661497.db2.gz NYFDKYZYOLVAQR-KRWDZBQOSA-N 0 3 368.389 2.843 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@H](C)[NH+]2CCCCC2)cc1F ZINC001475187037 1060988297 /nfs/dbraw/zinc/98/82/97/1060988297.db2.gz XWXNPHWMNBSLOV-ZDUSSCGKSA-N 0 3 373.450 2.585 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@H](Cn2ccnc2)c2ccccc2)cc1 ZINC001473748184 1065343764 /nfs/dbraw/zinc/34/37/64/1065343764.db2.gz WLJZDVREEMSSNX-MOPGFXCFSA-N 0 3 352.394 2.856 20 5 FFBDHN COc1ccc(OCCN[C@@]2(c3ccccc3)C[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC001473776590 1065357077 /nfs/dbraw/zinc/35/70/77/1065357077.db2.gz MZEITAKRXFMCDL-GLRZTSSQSA-N 0 3 358.394 2.622 20 5 FFBDHN Cc1ccc([C@H](CNCc2cccc([N+](=O)[O-])c2C)N2CCOCC2)o1 ZINC001473918337 1065418385 /nfs/dbraw/zinc/41/83/85/1065418385.db2.gz QEYOTKWXHXXXSU-SFHVURJKSA-N 0 3 359.426 2.968 20 5 FFBDHN O=[N+]([O-])c1cnn(CCNCc2ccc(OCC(F)(F)F)c(F)c2)c1 ZINC001474054694 1065446789 /nfs/dbraw/zinc/44/67/89/1065446789.db2.gz QKZBOZNITSSAJK-UHFFFAOYSA-N 0 3 362.283 2.661 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@@H]1NCc1c(Br)cccc1[N+](=O)[O-] ZINC001474060807 1065448770 /nfs/dbraw/zinc/44/87/70/1065448770.db2.gz BJPMDCKOBHMODW-HZMBPMFUSA-N 0 3 354.248 2.930 20 5 FFBDHN C[C@@H]1CN[C@@H](C)[C@H](C)N1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC001576878709 1078284254 /nfs/dbraw/zinc/28/42/54/1078284254.db2.gz IUDGKPMDXDWOOP-WOPDTQHZSA-N 0 3 355.822 2.614 20 5 FFBDHN CC(C)(C)N1CC[C@H]1CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001559235062 1076137757 /nfs/dbraw/zinc/13/77/57/1076137757.db2.gz IUZFHAMITAWPIN-LBPRGKRZSA-N 0 3 359.386 2.758 20 5 FFBDHN CCOc1ccccc1OCCN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001560066400 1076220697 /nfs/dbraw/zinc/22/06/97/1076220697.db2.gz SZNLCIZQUAVINM-LJQANCHMSA-N 0 3 360.410 2.870 20 5 FFBDHN CCc1noc([C@H]2CC[C@H]([NH2+]Cc3cc(OC)c([O-])cc3[N+](=O)[O-])C2)n1 ZINC001560608768 1076283461 /nfs/dbraw/zinc/28/34/61/1076283461.db2.gz DNQXMPIUTZNVIM-JQWIXIFHSA-N 0 3 362.386 2.680 20 5 FFBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC001561350440 1076366436 /nfs/dbraw/zinc/36/64/36/1076366436.db2.gz KNHKNPNTDANAFQ-MJBXVCDLSA-N 0 3 369.487 2.548 20 5 FFBDHN CC(C)(C)[NH+]1CCC(Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001589135527 1080381272 /nfs/dbraw/zinc/38/12/72/1080381272.db2.gz LGDFMSXJOQTUQK-UHFFFAOYSA-N 0 3 363.397 2.589 20 5 FFBDHN CC(C)(C)[NH+]1CCC(Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001589135527 1080381277 /nfs/dbraw/zinc/38/12/77/1080381277.db2.gz LGDFMSXJOQTUQK-UHFFFAOYSA-N 0 3 363.397 2.589 20 5 FFBDHN COc1ccc(NC(=O)CCN2CCS[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000411283158 512561260 /nfs/dbraw/zinc/56/12/60/512561260.db2.gz YNWNCYDEWCXVSO-VXGBXAGGSA-N 0 3 353.444 2.758 20 5 FFBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000109286421 209302878 /nfs/dbraw/zinc/30/28/78/209302878.db2.gz QLNPDCZVFROJDF-HUUCEWRRSA-N 0 3 371.441 2.631 20 5 FFBDHN COc1cc(CNC[C@@]2(C)CCO[C@H]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000372983627 512117974 /nfs/dbraw/zinc/11/79/74/512117974.db2.gz URYXVSQFEUIZDA-ZWKOTPCHSA-N 0 3 350.415 2.907 20 5 FFBDHN CN1CCCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000096952891 209164818 /nfs/dbraw/zinc/16/48/18/209164818.db2.gz YHSMVYPTTDJOLV-UHFFFAOYSA-N 0 3 374.363 2.580 20 5 FFBDHN COc1cc(CNC[C@@H](C)C[C@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000272388165 252025895 /nfs/dbraw/zinc/02/58/95/252025895.db2.gz IOFZLHCHKCJROP-QWRGUYRKSA-N 0 3 362.373 2.744 20 5 FFBDHN COc1cc(CNC[C@H](C)C[C@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000272388162 252026335 /nfs/dbraw/zinc/02/63/35/252026335.db2.gz IOFZLHCHKCJROP-MNOVXSKESA-N 0 3 362.373 2.744 20 5 FFBDHN CCN1CCC(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000272405831 252031049 /nfs/dbraw/zinc/03/10/49/252031049.db2.gz KPXJXYXGYIPJPM-UHFFFAOYSA-N 0 3 354.838 2.574 20 5 FFBDHN C[C@H](Cc1ccccc1F)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272974453 252179725 /nfs/dbraw/zinc/17/97/25/252179725.db2.gz WQMHQEPLLJGBTR-CYBMUJFWSA-N 0 3 366.414 2.728 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)cnc1NCc1ccccc1CN1CC[C@H](O)C1 ZINC000273067436 252207436 /nfs/dbraw/zinc/20/74/36/252207436.db2.gz FBCOBHXGVIMFAZ-HNNXBMFYSA-N 0 3 362.817 2.822 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1N1CCCC1 ZINC000273526895 252324322 /nfs/dbraw/zinc/32/43/22/252324322.db2.gz QKNBYHSUWVVQOJ-DLBZAZTESA-N 0 3 374.466 2.728 20 5 FFBDHN C[C@H]1C[C@H](N2CCCC2)CN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000285755333 257003054 /nfs/dbraw/zinc/00/30/54/257003054.db2.gz ZBJSRIKNICGOLO-JSGCOSHPSA-N 0 3 366.849 2.745 20 5 FFBDHN CSc1ccc(C(=O)NCCCN2CCCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000277654157 256222563 /nfs/dbraw/zinc/22/25/63/256222563.db2.gz SVFLIIBILFSUNY-ZDUSSCGKSA-N 0 3 367.471 2.547 20 5 FFBDHN CN1CCC[C@@H]1CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000278485918 256317566 /nfs/dbraw/zinc/31/75/66/256317566.db2.gz SNKCGSATBZLCRU-GFCCVEGCSA-N 0 3 360.336 2.507 20 5 FFBDHN CC(=O)c1cc(NCc2ccnc(OCCN(C)C)c2)ccc1[N+](=O)[O-] ZINC000286426652 257036455 /nfs/dbraw/zinc/03/64/55/257036455.db2.gz HTHIVAXEFNCWPX-UHFFFAOYSA-N 0 3 358.398 2.745 20 5 FFBDHN Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000288355673 257179322 /nfs/dbraw/zinc/17/93/22/257179322.db2.gz WIUIJOAFPPHACD-TZMCWYRMSA-N 0 3 362.386 2.510 20 5 FFBDHN COc1ccc(C[C@@](C)(O)CNCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000289830617 257301720 /nfs/dbraw/zinc/30/17/20/257301720.db2.gz OGWUQPVUIDAJQP-LJQANCHMSA-N 0 3 360.410 2.695 20 5 FFBDHN COc1ccc(C[C@@](C)(O)CNCc2csc([N+](=O)[O-])c2)cc1OC ZINC000289883352 257304779 /nfs/dbraw/zinc/30/47/79/257304779.db2.gz SATWQKWTWMCCRB-QGZVFWFLSA-N 0 3 366.439 2.757 20 5 FFBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290973192 257369517 /nfs/dbraw/zinc/36/95/17/257369517.db2.gz QGSMGZCDHJRXQT-MRXNPFEDSA-N 0 3 371.441 2.657 20 5 FFBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](c1ccc(F)cc1)N(C)C ZINC000301091795 258024583 /nfs/dbraw/zinc/02/45/83/258024583.db2.gz IALRIOFLUNJWJL-QGZVFWFLSA-N 0 3 360.389 2.808 20 5 FFBDHN COC(=O)c1cnc(N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000302772842 258110338 /nfs/dbraw/zinc/11/03/38/258110338.db2.gz NOBVUFNJDONXBR-CZUORRHYSA-N 0 3 370.409 2.851 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1NC[C@H]1C[C@H](O)CN1Cc1ccccc1)CCN2 ZINC000302882843 258113544 /nfs/dbraw/zinc/11/35/44/258113544.db2.gz KGOXRUGFHDRWFC-CVEARBPZSA-N 0 3 368.437 2.610 20 5 FFBDHN COC(=O)c1cc([N+](=O)[O-])c(N2CC[C@H](N3CCCC3)C2)cc1Cl ZINC000301642583 258060527 /nfs/dbraw/zinc/06/05/27/258060527.db2.gz BSWMRIMGRBRDNT-NSHDSACASA-N 0 3 353.806 2.709 20 5 FFBDHN CN(c1ccc2ncc([N+](=O)[O-])n2n1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000301965578 258078395 /nfs/dbraw/zinc/07/83/95/258078395.db2.gz KDAPNYZNHHYGRA-INIZCTEOSA-N 0 3 366.425 2.738 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000330691302 258168527 /nfs/dbraw/zinc/16/85/27/258168527.db2.gz BCWRWYNUVGNVTC-NVXWUHKLSA-N 0 3 363.458 2.961 20 5 FFBDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000369066565 512210800 /nfs/dbraw/zinc/21/08/00/512210800.db2.gz RUBOLJVQMZJRKS-HNNXBMFYSA-N 0 3 369.425 2.527 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(n2cccn2)CC1 ZINC000369120390 512236767 /nfs/dbraw/zinc/23/67/67/512236767.db2.gz SKDGNEURSKMGSM-UHFFFAOYSA-N 0 3 357.414 2.765 20 5 FFBDHN CNC(=O)c1ccc(NC[C@H](c2ccc(F)cc2)N(C)C)c([N+](=O)[O-])c1 ZINC000053574761 506409269 /nfs/dbraw/zinc/40/92/69/506409269.db2.gz FJVPEDHXOAFZSR-QGZVFWFLSA-N 0 3 360.389 2.808 20 5 FFBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(CCC(C)(C)C)CC1 ZINC000055936280 506891788 /nfs/dbraw/zinc/89/17/88/506891788.db2.gz GRVOJZABXPFDPM-OAHLLOKOSA-N 0 3 362.474 2.976 20 5 FFBDHN Cc1ccc(CN(CCN(C)C)C(=O)NCc2cccc([N+](=O)[O-])c2)o1 ZINC000067724246 506990713 /nfs/dbraw/zinc/99/07/13/506990713.db2.gz SKLNPYURIRWWRV-UHFFFAOYSA-N 0 3 360.414 2.770 20 5 FFBDHN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1CN1CCCCC1 ZINC000068133483 507124227 /nfs/dbraw/zinc/12/42/27/507124227.db2.gz WDWJWNANSOZYSU-MRXNPFEDSA-N 0 3 360.458 2.874 20 5 FFBDHN Cc1c(C(=O)NCC2CCN(Cc3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000023015768 507325009 /nfs/dbraw/zinc/32/50/09/507325009.db2.gz LVLPQLQSWGZLFX-UHFFFAOYSA-N 0 3 368.437 2.940 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1(N(C)C)CCCCCC1 ZINC000026956694 507623949 /nfs/dbraw/zinc/62/39/49/507623949.db2.gz HYXBLGBCDPTNEC-UHFFFAOYSA-N 0 3 369.487 2.836 20 5 FFBDHN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCN(CC2CCCCC2)CC1 ZINC000070826309 507645284 /nfs/dbraw/zinc/64/52/84/507645284.db2.gz ZCSWARRGRLOHPK-UHFFFAOYSA-N 0 3 371.441 2.809 20 5 FFBDHN CCCCCNC(=O)C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000051803102 507786315 /nfs/dbraw/zinc/78/63/15/507786315.db2.gz NAUYEXDGKGHOMR-UHFFFAOYSA-N 0 3 363.458 2.992 20 5 FFBDHN CN(C)Cc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000029952324 507797481 /nfs/dbraw/zinc/79/74/81/507797481.db2.gz YTPWQCCWXRXNOR-UHFFFAOYSA-N 0 3 357.366 2.680 20 5 FFBDHN Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000073108712 507894534 /nfs/dbraw/zinc/89/45/34/507894534.db2.gz DCASTSKFXKTQSI-AWEZNQCLSA-N 0 3 362.386 2.512 20 5 FFBDHN CCN1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000091167051 507961810 /nfs/dbraw/zinc/96/18/10/507961810.db2.gz GYZHRSAHQYQHNA-UHFFFAOYSA-N 0 3 358.345 2.756 20 5 FFBDHN Cc1ccc(C(=O)NCC2(N3CCCCC3)CCOCC2)cc1[N+](=O)[O-] ZINC000109980710 507999080 /nfs/dbraw/zinc/99/90/80/507999080.db2.gz ALRHJHHUHCEQBY-UHFFFAOYSA-N 0 3 361.442 2.668 20 5 FFBDHN C[C@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000111458602 508100834 /nfs/dbraw/zinc/10/08/34/508100834.db2.gz IMAVSGMOAQZDIF-OAHLLOKOSA-N 0 3 356.426 2.915 20 5 FFBDHN O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000075630668 508122605 /nfs/dbraw/zinc/12/26/05/508122605.db2.gz NOJIAVCPTITXBN-GOSISDBHSA-N 0 3 371.441 2.525 20 5 FFBDHN CC(C)OCCN1CCC(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000081998315 508224883 /nfs/dbraw/zinc/22/48/83/508224883.db2.gz TVTPSWKNQOAVSS-UHFFFAOYSA-N 0 3 369.849 2.867 20 5 FFBDHN O=[N+]([O-])c1cccc(OCCN2CCC(OC[C@@H]3CCCO3)CC2)c1 ZINC000083411819 508244199 /nfs/dbraw/zinc/24/41/99/508244199.db2.gz RHJOAXHSRBZOED-SFHVURJKSA-N 0 3 350.415 2.634 20 5 FFBDHN C[C@H](NC1(CNC(=O)c2ccc([N+](=O)[O-])o2)CCOCC1)c1ccccc1 ZINC000113236979 508253621 /nfs/dbraw/zinc/25/36/21/508253621.db2.gz HQALXRZZEFJVNE-AWEZNQCLSA-N 0 3 373.409 2.818 20 5 FFBDHN CN(C)CCN(Cc1ccco1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000088348506 508365709 /nfs/dbraw/zinc/36/57/09/508365709.db2.gz XAFFPDZDTMHXJM-UHFFFAOYSA-N 0 3 356.382 2.873 20 5 FFBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H](O)Cc2ccccc2)c1 ZINC000105492745 508374047 /nfs/dbraw/zinc/37/40/47/508374047.db2.gz HLZQCXGGQAEHJI-OAHLLOKOSA-N 0 3 352.337 2.889 20 5 FFBDHN CCOC(=O)c1ccnc(N[C@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000077903860 508390372 /nfs/dbraw/zinc/39/03/72/508390372.db2.gz QCWJIMNODCVNLD-HNNXBMFYSA-N 0 3 370.409 2.853 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H](N(C)C)C1 ZINC000106364025 508399842 /nfs/dbraw/zinc/39/98/42/508399842.db2.gz ONQSLEDANFTMEN-AAEUAGOBSA-N 0 3 355.822 2.568 20 5 FFBDHN COc1cc(CN(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1O ZINC000156922156 508497315 /nfs/dbraw/zinc/49/73/15/508497315.db2.gz OMVRBLWMYODRRH-UHFFFAOYSA-N 0 3 359.382 2.770 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116372169 508504382 /nfs/dbraw/zinc/50/43/82/508504382.db2.gz NTQRPQZDTMWNQN-AWEZNQCLSA-N 0 3 357.476 2.548 20 5 FFBDHN Cc1c(Br)cc(C(=O)NC[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000122526174 508549001 /nfs/dbraw/zinc/54/90/01/508549001.db2.gz HPSKRAKGRHWPMF-NSHDSACASA-N 0 3 370.247 2.737 20 5 FFBDHN CN(C)CCn1cc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cn1 ZINC000128386973 508585703 /nfs/dbraw/zinc/58/57/03/508585703.db2.gz LSJMTCOAHUUTHT-UHFFFAOYSA-N 0 3 371.319 2.624 20 5 FFBDHN CN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCN(C)C1 ZINC000153476376 508587188 /nfs/dbraw/zinc/58/71/88/508587188.db2.gz AWTDMUQBEOMZNC-ZDUSSCGKSA-N 0 3 355.822 2.570 20 5 FFBDHN Cc1c(NC(=O)CCN(C)[C@@H]2CCCc3c2cnn3C)cccc1[N+](=O)[O-] ZINC000135563818 508624712 /nfs/dbraw/zinc/62/47/12/508624712.db2.gz JDILXTWDKGCAIT-QGZVFWFLSA-N 0 3 371.441 2.975 20 5 FFBDHN COc1ccc(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000137485062 508758657 /nfs/dbraw/zinc/75/86/57/508758657.db2.gz OEGGFTCSDLVUIT-YOEHRIQHSA-N 0 3 369.421 2.996 20 5 FFBDHN Cc1nccn1CCCN(C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000130501861 508823598 /nfs/dbraw/zinc/82/35/98/508823598.db2.gz SOJZFMMWDUYNEH-UHFFFAOYSA-N 0 3 356.386 2.672 20 5 FFBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(Br)cc1 ZINC000159724745 508880551 /nfs/dbraw/zinc/88/05/51/508880551.db2.gz UMVVYRHXAAGLKE-UHFFFAOYSA-N 0 3 366.215 2.651 20 5 FFBDHN COc1ccc(CNC2(CO)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000120367523 508981706 /nfs/dbraw/zinc/98/17/06/508981706.db2.gz IROUJGPDWPIIPE-UHFFFAOYSA-N 0 3 358.394 2.797 20 5 FFBDHN COc1ccc(OCCN2CC[C@]3(O)CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000160911499 509047499 /nfs/dbraw/zinc/04/74/99/509047499.db2.gz FTHQDDXZLQILOV-RDTXWAMCSA-N 0 3 350.415 2.609 20 5 FFBDHN CSc1ccc(C(=O)NCCCNCc2cccnc2)cc1[N+](=O)[O-] ZINC000120857847 509077680 /nfs/dbraw/zinc/07/76/80/509077680.db2.gz ZRIMMORTMJLYJY-UHFFFAOYSA-N 0 3 360.439 2.621 20 5 FFBDHN O=C(NC[C@H](c1ccco1)N1CCCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000126631800 509104903 /nfs/dbraw/zinc/10/49/03/509104903.db2.gz DRWAYFHHQVYJKK-OAHLLOKOSA-N 0 3 369.381 2.631 20 5 FFBDHN COc1ccc(OCCN2CC[C@]3(O)CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000247957708 509200499 /nfs/dbraw/zinc/20/04/99/509200499.db2.gz FTHQDDXZLQILOV-KBXCAEBGSA-N 0 3 350.415 2.609 20 5 FFBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccccc2)C2CCN(C)CC2)n1 ZINC000191837832 509205353 /nfs/dbraw/zinc/20/53/53/509205353.db2.gz MWBAJGHBKWDQAI-UHFFFAOYSA-N 0 3 371.441 2.548 20 5 FFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000248356596 509274576 /nfs/dbraw/zinc/27/45/76/509274576.db2.gz OMLJYRJFIKNSHO-GOEBONIOSA-N 0 3 369.487 2.562 20 5 FFBDHN COC(=O)[C@@H]1CCCCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000162729826 509289653 /nfs/dbraw/zinc/28/96/53/509289653.db2.gz DMMIBBHCZFAUAO-ZBFHGGJFSA-N 0 3 363.414 2.553 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000248401231 509296232 /nfs/dbraw/zinc/29/62/32/509296232.db2.gz ZDBBRSPCMYJARD-SUMWQHHRSA-N 0 3 354.410 2.626 20 5 FFBDHN COc1cc(CN[C@@H](CO)Cc2ccccc2C)c([N+](=O)[O-])cc1OC ZINC000188934532 509330841 /nfs/dbraw/zinc/33/08/41/509330841.db2.gz CPWCQHTWGLXQNJ-MRXNPFEDSA-N 0 3 360.410 2.614 20 5 FFBDHN C[C@H](CN(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000248466738 509334920 /nfs/dbraw/zinc/33/49/20/509334920.db2.gz SMGDPOUMUPCBHZ-TZMCWYRMSA-N 0 3 351.428 2.527 20 5 FFBDHN O=C(NC1CCN(C2CC2)CC1)c1cccc([N+](=O)[O-])c1Br ZINC000182657655 509353899 /nfs/dbraw/zinc/35/38/99/509353899.db2.gz HLCKAHUEKPGPDC-UHFFFAOYSA-N 0 3 368.231 2.714 20 5 FFBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000192146734 509371843 /nfs/dbraw/zinc/37/18/43/509371843.db2.gz HOCAKKGIYHKDGS-UHFFFAOYSA-N 0 3 369.487 2.708 20 5 FFBDHN CC1CCN([C@H](CNC(=O)c2c([N+](=O)[O-])cnn2C)c2ccccc2)CC1 ZINC000163420126 509374061 /nfs/dbraw/zinc/37/40/61/509374061.db2.gz WADHSLWKEYZMKY-MRXNPFEDSA-N 0 3 371.441 2.531 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CN1C1CC1 ZINC000185837958 509378900 /nfs/dbraw/zinc/37/89/00/509378900.db2.gz JNIJYKWZJMJAOO-PWSUYJOCSA-N 0 3 352.822 2.673 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3CCOC3)CC2)cc1C(F)(F)F ZINC000267347422 509457978 /nfs/dbraw/zinc/45/79/78/509457978.db2.gz FVDHZONRQNEBMB-LBPRGKRZSA-N 0 3 359.348 2.772 20 5 FFBDHN CC[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1cccc(S(N)(=O)=O)c1 ZINC000183029086 509556773 /nfs/dbraw/zinc/55/67/73/509556773.db2.gz TXCLLDXOKKNMQP-KRWDZBQOSA-N 0 3 363.439 2.526 20 5 FFBDHN C[C@H](NCc1cccc(C(=O)NCCN(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000173377975 509562161 /nfs/dbraw/zinc/56/21/61/509562161.db2.gz GOVCWHQQABPWKV-HNNXBMFYSA-N 0 3 370.453 2.737 20 5 FFBDHN CCn1nc(C)c([N+](=O)[O-])c1NCc1ccccc1CN1CCC(O)CC1 ZINC000192633086 509572811 /nfs/dbraw/zinc/57/28/11/509572811.db2.gz BRBSOVHATWBWIR-UHFFFAOYSA-N 0 3 373.457 2.688 20 5 FFBDHN CCN1CCC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267937889 509678564 /nfs/dbraw/zinc/67/85/64/509678564.db2.gz NFKQBSKKCSVRKH-SNVBAGLBSA-N 0 3 374.210 2.711 20 5 FFBDHN C[C@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@H]1CN ZINC000237733958 509722770 /nfs/dbraw/zinc/72/27/70/509722770.db2.gz JMLSFIHNEOBUAU-YWZLYKJASA-N 0 3 363.461 2.741 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CN1C1CC1 ZINC000268045690 509733459 /nfs/dbraw/zinc/73/34/59/509733459.db2.gz ZKIQKUSCJINTAH-ONGXEEELSA-N 0 3 368.231 2.712 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc1SC ZINC000177073658 509854864 /nfs/dbraw/zinc/85/48/64/509854864.db2.gz VURIHQHJSWRKDB-GHMZBOCLSA-N 0 3 365.455 2.680 20 5 FFBDHN CC(C)CN1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000268467455 509950903 /nfs/dbraw/zinc/95/09/03/509950903.db2.gz XZJUKVSBXTVFNQ-UHFFFAOYSA-N 0 3 360.458 2.609 20 5 FFBDHN CCN1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000177324639 509997624 /nfs/dbraw/zinc/99/76/24/509997624.db2.gz NFSYGJRUAWKFSG-KGLIPLIRSA-N 0 3 366.849 2.745 20 5 FFBDHN O=C(CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)NC1CCCC1 ZINC000174246985 510024144 /nfs/dbraw/zinc/02/41/44/510024144.db2.gz XUORJEDDCMODIS-UHFFFAOYSA-N 0 3 361.442 2.887 20 5 FFBDHN COc1ccc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000268622710 510040653 /nfs/dbraw/zinc/04/06/53/510040653.db2.gz YNIVBKSWMBCANO-QGZVFWFLSA-N 0 3 369.421 2.950 20 5 FFBDHN COc1cc(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000193838479 510095111 /nfs/dbraw/zinc/09/51/11/510095111.db2.gz RPPFLBICQGLOPY-MRXNPFEDSA-N 0 3 369.421 2.855 20 5 FFBDHN CCc1n[nH]c(C(=O)NC[C@@H](c2ccccc2)N(CC)CC)c1[N+](=O)[O-] ZINC000171369863 510113203 /nfs/dbraw/zinc/11/32/03/510113203.db2.gz YIVYJXRQQZUGHN-HNNXBMFYSA-N 0 3 359.430 2.693 20 5 FFBDHN Cn1cc(CNCCC(=O)OC(C)(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000174432149 510113294 /nfs/dbraw/zinc/11/32/94/510113294.db2.gz WXSKGASFXSHTEE-UHFFFAOYSA-N 0 3 360.414 2.817 20 5 FFBDHN CCOc1cccc(NCc2ccnc(OCCN(C)C)c2)c1[N+](=O)[O-] ZINC000184142219 510156874 /nfs/dbraw/zinc/15/68/74/510156874.db2.gz IQMVZNPREOUECJ-UHFFFAOYSA-N 0 3 360.414 2.941 20 5 FFBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2ccncc2)cc1 ZINC000180931316 510189717 /nfs/dbraw/zinc/18/97/17/510189717.db2.gz MWLUGXPJWGEDMK-LIRRHRJNSA-N 0 3 367.409 2.565 20 5 FFBDHN CN1CCCN(c2ccc(NC(=O)c3c(N)cccc3[N+](=O)[O-])cc2)CC1 ZINC000180941466 510197361 /nfs/dbraw/zinc/19/73/61/510197361.db2.gz GHVCGUYDEOPKJL-UHFFFAOYSA-N 0 3 369.425 2.571 20 5 FFBDHN O=[N+]([O-])c1cc(CN[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cs1 ZINC000265760796 510216115 /nfs/dbraw/zinc/21/61/15/510216115.db2.gz JUECEDWMOBRPBH-IAGOWNOFSA-N 0 3 361.467 2.629 20 5 FFBDHN CN1CC[C@@H]2[C@@H](CCCN2c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000269091041 510231315 /nfs/dbraw/zinc/23/13/15/510231315.db2.gz LAHYQIPGLPIXIU-GXFFZTMASA-N 0 3 355.236 2.673 20 5 FFBDHN CN(Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174658058 510234463 /nfs/dbraw/zinc/23/44/63/510234463.db2.gz UPKCYKPQEWXJLJ-GFCCVEGCSA-N 0 3 359.213 2.591 20 5 FFBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000174786209 510309718 /nfs/dbraw/zinc/30/97/18/510309718.db2.gz JPMDPRWWHRBGFI-CMPLNLGQSA-N 0 3 370.356 2.897 20 5 FFBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2cccnc2)cc1 ZINC000181323412 510356485 /nfs/dbraw/zinc/35/64/85/510356485.db2.gz JBTVCBADPPEYNY-IFXJQAMLSA-N 0 3 367.409 2.565 20 5 FFBDHN C[C@@H](NCC(=O)NC[C@@H](c1ccccc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000184622141 510422358 /nfs/dbraw/zinc/42/23/58/510422358.db2.gz OEHKPWIMDFYBGN-BEFAXECRSA-N 0 3 370.453 2.665 20 5 FFBDHN CN1CCC[C@@H]1CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000194604280 510441015 /nfs/dbraw/zinc/44/10/15/510441015.db2.gz ABJSAQGGFPPUSH-MRXNPFEDSA-N 0 3 369.421 2.998 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(NCc2ccc(CN3CCN(C)CC3)cc2)n1 ZINC000178172542 510471815 /nfs/dbraw/zinc/47/18/15/510471815.db2.gz GPQJFROILDZGSZ-UHFFFAOYSA-N 0 3 355.442 2.658 20 5 FFBDHN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NC[C@@H]3CCCN3C)cc2[N+](=O)[O-])C1 ZINC000194735999 510501904 /nfs/dbraw/zinc/50/19/04/510501904.db2.gz VNUKBCPTSYDOIY-UXLLHSPISA-N 0 3 374.485 2.901 20 5 FFBDHN CC(C)(C)[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000181631272 510511362 /nfs/dbraw/zinc/51/13/62/510511362.db2.gz RAZQFVTUGNOUMO-XJKSGUPXSA-N 0 3 368.384 2.807 20 5 FFBDHN COc1cc(C(=O)NCc2ccccc2CN(C)C)cc([N+](=O)[O-])c1C ZINC000191159683 510528867 /nfs/dbraw/zinc/52/88/67/510528867.db2.gz SQOGVQUIEWRUGS-UHFFFAOYSA-N 0 3 357.410 2.903 20 5 FFBDHN CCc1n[nH]c(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000175272318 510563447 /nfs/dbraw/zinc/56/34/47/510563447.db2.gz LQLQVJSWUHLARN-HIFRSBDPSA-N 0 3 371.441 2.663 20 5 FFBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)CC2(N(C)C)CCC2)cc1OC ZINC000188046464 510566375 /nfs/dbraw/zinc/56/63/75/510566375.db2.gz PWDUHBBCZGNQDK-UHFFFAOYSA-N 0 3 365.430 2.558 20 5 FFBDHN CCC1(CC)[C@H](NCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1OC ZINC000191363468 510625450 /nfs/dbraw/zinc/62/54/50/510625450.db2.gz IOWRTTYRAYVUFU-HZPDHXFCSA-N 0 3 365.430 2.725 20 5 FFBDHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cccc(N2CCCC2)c1 ZINC000181857963 510630137 /nfs/dbraw/zinc/63/01/37/510630137.db2.gz SMVJPIBIALZGBD-HNNXBMFYSA-N 0 3 356.426 2.708 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NC2CCN(C3CCCCC3)CC2)cc1 ZINC000175414921 510635346 /nfs/dbraw/zinc/63/53/46/510635346.db2.gz VOAHDYMKXSRLPC-UHFFFAOYSA-N 0 3 367.471 2.670 20 5 FFBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181952416 510676813 /nfs/dbraw/zinc/67/68/13/510676813.db2.gz STLODMCIXKGSGD-NSHDSACASA-N 0 3 357.357 2.610 20 5 FFBDHN CN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000182022691 510715044 /nfs/dbraw/zinc/71/50/44/510715044.db2.gz IHROGFAIXOZKSU-UHFFFAOYSA-N 0 3 357.863 2.893 20 5 FFBDHN CCO[C@@H]1C[C@@H](N(C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000182022887 510715518 /nfs/dbraw/zinc/71/55/18/510715518.db2.gz MEMCCIZYMURHED-BMGDILEWSA-N 0 3 364.442 2.614 20 5 FFBDHN CN(C(=O)CN1CC[C@H]2[C@@H](CCCN2C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000246993765 510788754 /nfs/dbraw/zinc/78/87/54/510788754.db2.gz WNZXZSBSQSZGGJ-KXBFYZLASA-N 0 3 372.469 2.506 20 5 FFBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000185286462 510790362 /nfs/dbraw/zinc/79/03/62/510790362.db2.gz TVOOOHFBQBCUEM-HNNXBMFYSA-N 0 3 359.430 2.560 20 5 FFBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)n1 ZINC000191717873 510800390 /nfs/dbraw/zinc/80/03/90/510800390.db2.gz UNUQODGUIFMRIX-IBGZPJMESA-N 0 3 371.441 2.596 20 5 FFBDHN COc1cccc(N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000185335506 510811827 /nfs/dbraw/zinc/81/18/27/510811827.db2.gz HQKDAJKKIDNYSB-GJZGRUSLSA-N 0 3 363.458 2.929 20 5 FFBDHN CN1CCC[C@@]2(CCN(C(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C2)C1 ZINC000293926724 510900979 /nfs/dbraw/zinc/90/09/79/510900979.db2.gz IVPBBNLCCKMDSR-LJQANCHMSA-N 0 3 356.426 2.563 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCC[C@H]2CCCF)cc1 ZINC000282563763 511027445 /nfs/dbraw/zinc/02/74/45/511027445.db2.gz YIQGVFIWQGIOQC-BBRMVZONSA-N 0 3 358.435 2.877 20 5 FFBDHN O=C(CCN1CCC[C@H](c2ccncn2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000361653693 511076157 /nfs/dbraw/zinc/07/61/57/511076157.db2.gz VCCCULUWYVSRNN-AWEZNQCLSA-N 0 3 355.398 2.593 20 5 FFBDHN O=[N+]([O-])c1cc(I)cc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC000289470176 511101404 /nfs/dbraw/zinc/10/14/04/511101404.db2.gz IZTMWJXJFJKATO-UPJWGTAASA-N 0 3 374.178 2.609 20 5 FFBDHN CN(C)c1cc(F)c(C(=O)N2CC[C@@H](N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000294747952 511163790 /nfs/dbraw/zinc/16/37/90/511163790.db2.gz AIEALWYJOANUPQ-CYBMUJFWSA-N 0 3 364.421 2.500 20 5 FFBDHN COc1cc(CNCCC(C)(C)CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000294873749 511205644 /nfs/dbraw/zinc/20/56/44/511205644.db2.gz UXEPCNQNLFQVIP-UHFFFAOYSA-N 0 3 362.373 2.746 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2nc(CNC[C@H]3CN4CCC[C@H]4CO3)cs2)c1 ZINC000362719298 511224662 /nfs/dbraw/zinc/22/46/62/511224662.db2.gz IGTGPQPUVQPKDS-IRXDYDNUSA-N 0 3 374.466 2.671 20 5 FFBDHN COCCN(C)CCCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291516861 511228720 /nfs/dbraw/zinc/22/87/20/511228720.db2.gz REAHGSTXOKNULC-UHFFFAOYSA-N 0 3 364.229 2.600 20 5 FFBDHN Cn1cc([C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3)CC23CCOCC3)cn1 ZINC000294943769 511228952 /nfs/dbraw/zinc/22/89/52/511228952.db2.gz HBJFTYCCRQWMKZ-SFHVURJKSA-N 0 3 356.426 2.725 20 5 FFBDHN COCCCN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1CCN(C)CC1 ZINC000291523663 511231162 /nfs/dbraw/zinc/23/11/62/511231162.db2.gz YOTRXFVIGAVIHX-RMKNXTFCSA-N 0 3 361.442 2.567 20 5 FFBDHN CN(C)CCOc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000298653063 511362374 /nfs/dbraw/zinc/36/23/74/511362374.db2.gz BKMRPBXTAIIOOE-UHFFFAOYSA-N 0 3 359.382 2.553 20 5 FFBDHN COc1ccc(OCCN2CC[C@](CO)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000292023457 511435307 /nfs/dbraw/zinc/43/53/07/511435307.db2.gz YMYUEPUXBILDAS-FQEVSTJZSA-N 0 3 372.421 2.618 20 5 FFBDHN COc1ccc(CN2CCC(CNc3ncc([N+](=O)[O-])cn3)CC2)cc1 ZINC000273652523 511563784 /nfs/dbraw/zinc/56/37/84/511563784.db2.gz UUQMEHKCRYNOKM-UHFFFAOYSA-N 0 3 357.414 2.718 20 5 FFBDHN CC[C@@H](C)N1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000296025199 511592898 /nfs/dbraw/zinc/59/28/98/511592898.db2.gz MDAPKLXIVDYBJT-OLZOCXBDSA-N 0 3 368.865 2.991 20 5 FFBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3ccc(-n4ccnc4)cc3)CC2)n1 ZINC000365820921 511668624 /nfs/dbraw/zinc/66/86/24/511668624.db2.gz OTIAMOHNWYXSCB-UHFFFAOYSA-N 0 3 352.398 2.814 20 5 FFBDHN Cc1cc(NC2CCN([C@H]3CCOC3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000363663801 511692239 /nfs/dbraw/zinc/69/22/39/511692239.db2.gz GKVXXWNHLGDLEH-INIZCTEOSA-N 0 3 356.426 2.539 20 5 FFBDHN CN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000284452007 511728727 /nfs/dbraw/zinc/72/87/27/511728727.db2.gz RBTHUKZCYIZYGP-CQSZACIVSA-N 0 3 372.400 2.663 20 5 FFBDHN CC(C)(O)CN1CCc2c(cccc2NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000363729331 511729566 /nfs/dbraw/zinc/72/95/66/511729566.db2.gz KXBXBLRMBMCPIV-UHFFFAOYSA-N 0 3 369.421 2.976 20 5 FFBDHN CCC[C@@H](C)C(=O)NCCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000292837959 511739933 /nfs/dbraw/zinc/73/99/33/511739933.db2.gz YFTKYZCVFRLEGX-CQSZACIVSA-N 0 3 373.457 2.637 20 5 FFBDHN C[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000296454841 511749590 /nfs/dbraw/zinc/74/95/90/511749590.db2.gz XEHXFRIQFINIDC-PVRXDPTQSA-N 0 3 367.833 2.978 20 5 FFBDHN CC1(C)[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]2CCO[C@H]21 ZINC000296477795 511759783 /nfs/dbraw/zinc/75/97/83/511759783.db2.gz YEKASMLYMYNZJG-VCTAVGKDSA-N 0 3 353.806 2.590 20 5 FFBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCC1(S(C)(=O)=O)CC1 ZINC000281222493 511764630 /nfs/dbraw/zinc/76/46/30/511764630.db2.gz UBZNQZBHKYTTDD-GFCCVEGCSA-N 0 3 358.485 2.632 20 5 FFBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000284642832 511806348 /nfs/dbraw/zinc/80/63/48/511806348.db2.gz CPDBXDRTGYPLNA-UHFFFAOYSA-N 0 3 358.373 2.698 20 5 FFBDHN C[C@@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000296699749 511860568 /nfs/dbraw/zinc/86/05/68/511860568.db2.gz KVMPOSYPTANAKJ-GFCCVEGCSA-N 0 3 366.849 2.603 20 5 FFBDHN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CC[C@@H](N2CCCC2)C1 ZINC000364015046 511907904 /nfs/dbraw/zinc/90/79/04/511907904.db2.gz VWIQDYZIHSYACV-GFCCVEGCSA-N 0 3 355.797 2.627 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000373760736 512492352 /nfs/dbraw/zinc/49/23/52/512492352.db2.gz MAZABDGXZMHTLW-AWEZNQCLSA-N 0 3 357.414 2.979 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000373760736 512492357 /nfs/dbraw/zinc/49/23/57/512492357.db2.gz MAZABDGXZMHTLW-AWEZNQCLSA-N 0 3 357.414 2.979 20 5 FFBDHN CC(C)N1CCN([C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000367768265 512654404 /nfs/dbraw/zinc/65/44/04/512654404.db2.gz IDJDPLWJDCQROP-QGZVFWFLSA-N 0 3 366.893 2.849 20 5 FFBDHN CCc1ccc([C@@H](CO)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000411510668 512668308 /nfs/dbraw/zinc/66/83/08/512668308.db2.gz OEUNVMQLSYWTIL-GOSISDBHSA-N 0 3 357.410 2.809 20 5 FFBDHN COc1ccc(NC(=O)CCN2CCC(c3c[nH]cn3)CC2)c([N+](=O)[O-])c1 ZINC000374199825 512704121 /nfs/dbraw/zinc/70/41/21/512704121.db2.gz LLINPQBTFVUYQG-UHFFFAOYSA-N 0 3 373.413 2.535 20 5 FFBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)CC[C@H]1N1CCN(C)CC1 ZINC000374314692 512761114 /nfs/dbraw/zinc/76/11/14/512761114.db2.gz XBTLZZLCGCUUEN-CRAIPNDOSA-N 0 3 369.469 2.605 20 5 FFBDHN O=C(CCN1CCC(c2ccncn2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411828307 512834431 /nfs/dbraw/zinc/83/44/31/512834431.db2.gz OQPXXBHXNYCAAX-UHFFFAOYSA-N 0 3 355.398 2.593 20 5 FFBDHN Cc1ccnc(NCC2(O)CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000397602850 512947620 /nfs/dbraw/zinc/94/76/20/512947620.db2.gz OKBQOAYJUWUCIV-UHFFFAOYSA-N 0 3 356.426 2.737 20 5 FFBDHN O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000368602573 513021298 /nfs/dbraw/zinc/02/12/98/513021298.db2.gz KCCKKCXWPMYAQS-FQEVSTJZSA-N 0 3 366.421 2.728 20 5 FFBDHN Cc1ccc([C@H](C)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)cc1[N+](=O)[O-] ZINC000370636644 513026749 /nfs/dbraw/zinc/02/67/49/513026749.db2.gz SAGGRCATVZYJQD-GOEBONIOSA-N 0 3 368.437 2.932 20 5 FFBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000445904613 513143770 /nfs/dbraw/zinc/14/37/70/513143770.db2.gz RXVGSNZSQCQTAM-GASCZTMLSA-N 0 3 360.458 2.925 20 5 FFBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@@H](SC)[C@H](N(C)C)C1 ZINC000450409088 513181701 /nfs/dbraw/zinc/18/17/01/513181701.db2.gz XCAOGPHIRWMONA-HZPDHXFCSA-N 0 3 362.455 2.633 20 5 FFBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000429001792 513248802 /nfs/dbraw/zinc/24/88/02/513248802.db2.gz WZHFBRAJVKXBPV-FSZRXZPDSA-N 0 3 360.458 2.584 20 5 FFBDHN CN(CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Cc1ccccc1 ZINC000450569715 513255260 /nfs/dbraw/zinc/25/52/60/513255260.db2.gz OKIHSCKEXFDHCU-KRWDZBQOSA-N 0 3 355.442 2.608 20 5 FFBDHN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@H]1CNCCC1(F)F ZINC000415443352 513263833 /nfs/dbraw/zinc/26/38/33/513263833.db2.gz QYACIHITYWETNH-JTQLQIEISA-N 0 3 368.262 2.732 20 5 FFBDHN CCc1ccccc1[C@H](N)CNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000418078566 513363919 /nfs/dbraw/zinc/36/39/19/513363919.db2.gz JPQJWLQBIYRQEL-QGZVFWFLSA-N 0 3 356.426 2.965 20 5 FFBDHN COc1cc(CNCC[C@H]2COc3ccccc3O2)c([N+](=O)[O-])cc1OC ZINC000418105612 513373841 /nfs/dbraw/zinc/37/38/41/513373841.db2.gz YEYLHYFBSSUGJS-AWEZNQCLSA-N 0 3 374.393 2.932 20 5 FFBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2CCN(CC(F)F)C2)c1 ZINC000418128426 513381639 /nfs/dbraw/zinc/38/16/39/513381639.db2.gz BLHMJGLYCQBRCS-SNVBAGLBSA-N 0 3 351.300 2.625 20 5 FFBDHN CC(C)(CO)[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000429712569 513448697 /nfs/dbraw/zinc/44/86/97/513448697.db2.gz BZUICODRSDAQQM-IEBWSBKVSA-N 0 3 374.437 2.684 20 5 FFBDHN NC(=O)Nc1ccc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447535693 513500952 /nfs/dbraw/zinc/50/09/52/513500952.db2.gz HTBVADQJVXVAMS-HUUCEWRRSA-N 0 3 358.402 2.555 20 5 FFBDHN O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1F)CCNC2 ZINC000415961935 513502620 /nfs/dbraw/zinc/50/26/20/513502620.db2.gz SGMUPKAABDDNNJ-UHFFFAOYSA-N 0 3 358.373 2.744 20 5 FFBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc2c(c1)CNC2 ZINC000418561683 513558581 /nfs/dbraw/zinc/55/85/81/513558581.db2.gz ZIJGSRJGPVCGGV-UHFFFAOYSA-N 0 3 354.410 2.582 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC(CCN2CCOCC2)CC1 ZINC000430224473 513591684 /nfs/dbraw/zinc/59/16/84/513591684.db2.gz KDLCMKFWQCZJNT-UHFFFAOYSA-N 0 3 363.458 2.538 20 5 FFBDHN CN1C[C@@H]2CCCN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000425688699 513703140 /nfs/dbraw/zinc/70/31/40/513703140.db2.gz ZTKSLRDDKSETMF-FUHWJXTLSA-N 0 3 360.458 2.653 20 5 FFBDHN Cc1cc(OCC(=O)N2CCN(C3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000430782888 513747733 /nfs/dbraw/zinc/74/77/33/513747733.db2.gz KIFGPWIKNDCHAU-UHFFFAOYSA-N 0 3 361.442 2.759 20 5 FFBDHN Cc1c(NC(=O)[C@@H](C)N2CCNCc3ccccc32)cccc1[N+](=O)[O-] ZINC000430927218 513782725 /nfs/dbraw/zinc/78/27/25/513782725.db2.gz PZQQEDGSIBLHSE-CQSZACIVSA-N 0 3 354.410 2.840 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C(C)C)[C@H](CO)C(C)C ZINC000451590236 513851753 /nfs/dbraw/zinc/85/17/53/513851753.db2.gz BIUODGLVPAAKGB-QAPCUYQASA-N 0 3 351.447 2.720 20 5 FFBDHN CCOC(=O)[C@@H]1CCCC[C@@H]1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451592819 513854845 /nfs/dbraw/zinc/85/48/45/513854845.db2.gz RMEQRYJSVKAAOG-MAZHCROVSA-N 0 3 363.414 2.633 20 5 FFBDHN CC(C)(C)OC(=O)[C@@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000426193912 513868731 /nfs/dbraw/zinc/86/87/31/513868731.db2.gz KTXVNCIJQLJHBU-CYBMUJFWSA-N 0 3 363.414 2.587 20 5 FFBDHN Cc1c(NC(=O)[C@H](C)N[C@@H]([C@H](CO)C2CC2)C2CC2)cccc1[N+](=O)[O-] ZINC000451616637 513868860 /nfs/dbraw/zinc/86/88/60/513868860.db2.gz WBSBGKITOAFBFK-WBHUJUFNSA-N 0 3 361.442 2.617 20 5 FFBDHN O=C(CNc1ccc([N+](=O)[O-])c2cccnc12)NCCN1CCCCCC1 ZINC000431486850 513908705 /nfs/dbraw/zinc/90/87/05/513908705.db2.gz WEHYYZATQLPWQV-UHFFFAOYSA-N 0 3 371.441 2.547 20 5 FFBDHN CCN(CC)[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)CC(C)C ZINC000443756076 514037138 /nfs/dbraw/zinc/03/71/38/514037138.db2.gz MCEGONIZEJPPAX-QGZVFWFLSA-N 0 3 371.503 2.771 20 5 FFBDHN COc1cccc(N2C[C@H](N[C@@H](C)Cc3ccccc3[N+](=O)[O-])CC2=O)c1 ZINC000449110258 514075388 /nfs/dbraw/zinc/07/53/88/514075388.db2.gz BRRWLFVNNSTCAO-GOEBONIOSA-N 0 3 369.421 2.930 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000427095927 514114732 /nfs/dbraw/zinc/11/47/32/514114732.db2.gz ZALMWWCCLFCZDZ-ZBFHGGJFSA-N 0 3 369.421 2.996 20 5 FFBDHN C[NH+](C)Cc1ccc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000414476011 514142709 /nfs/dbraw/zinc/14/27/09/514142709.db2.gz WNVLMKMJTFGJSM-UHFFFAOYSA-N 0 3 367.402 2.737 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@H]3CCCN3CCCO)o2)c1 ZINC000449385088 514188864 /nfs/dbraw/zinc/18/88/64/514188864.db2.gz DPDOCVNVCRAUJX-QGZVFWFLSA-N 0 3 359.426 2.791 20 5 FFBDHN O=[N+]([O-])c1cc(CN2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c2c(c1)COCO2 ZINC000449455052 514217123 /nfs/dbraw/zinc/21/71/23/514217123.db2.gz QEBYSMRJMBFYSK-RCCFBDPRSA-N 0 3 362.426 2.977 20 5 FFBDHN COC(=O)COc1ccc(CN2C[C@@H](C3CC3)[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000449542638 514247738 /nfs/dbraw/zinc/24/77/38/514247738.db2.gz QUYKEFHRFITTCE-KXBFYZLASA-N 0 3 360.410 2.767 20 5 FFBDHN CCOc1cc(NC(=O)N2C[C@@H](C)NC[C@H]2C)c([N+](=O)[O-])cc1OCC ZINC000414762089 514279023 /nfs/dbraw/zinc/27/90/23/514279023.db2.gz VJOFBRKLSAIJDT-VXGBXAGGSA-N 0 3 366.418 2.606 20 5 FFBDHN Cc1cc(Br)ccc1CN(C)CCn1cc([N+](=O)[O-])cn1 ZINC000444710129 514301780 /nfs/dbraw/zinc/30/17/80/514301780.db2.gz ULYIHRQODHSZPB-UHFFFAOYSA-N 0 3 353.220 2.994 20 5 FFBDHN CN(C[C@@H]1CCCN1C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000420830619 514324474 /nfs/dbraw/zinc/32/44/74/514324474.db2.gz AMYDOKYTAAJIDZ-ZDUSSCGKSA-N 0 3 374.363 2.849 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCO[C@H](c2nccn2C)C1 ZINC000449779144 514349799 /nfs/dbraw/zinc/34/97/99/514349799.db2.gz XMIXWSREEMWQEU-PBHICJAKSA-N 0 3 360.414 2.737 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCN2CCC(CO)(c3ccccc3)CC2)cc1 ZINC000433067897 514370122 /nfs/dbraw/zinc/37/01/22/514370122.db2.gz MSHJKLPLHQNNBU-UHFFFAOYSA-N 0 3 356.422 3.000 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCN(C3CC3)C[C@H](C)C2)c1 ZINC000452567245 514405213 /nfs/dbraw/zinc/40/52/13/514405213.db2.gz CARRXPMTNQPWPM-HNNXBMFYSA-N 0 3 361.442 2.615 20 5 FFBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)C[C@H]1CCCN1C ZINC000420994430 514429306 /nfs/dbraw/zinc/42/93/06/514429306.db2.gz CDQFXFDDXJBCGC-DGCLKSJQSA-N 0 3 354.838 2.601 20 5 FFBDHN O=[N+]([O-])c1cc(CNC[C@@H]2CNCCO2)ccc1Oc1ccc(F)cc1 ZINC000415095370 514440809 /nfs/dbraw/zinc/44/08/09/514440809.db2.gz MJQSLJCNJGPCSF-INIZCTEOSA-N 0 3 361.373 2.604 20 5 FFBDHN CCN1CC[C@@H](N(C)C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000449973933 514448879 /nfs/dbraw/zinc/44/88/79/514448879.db2.gz SYSMDXLAEWFQEE-GOEBONIOSA-N 0 3 361.442 2.889 20 5 FFBDHN CN(C[C@@H]1CCCN1C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000421112824 514489127 /nfs/dbraw/zinc/48/91/27/514489127.db2.gz RGPLJNIMFJXGPG-LBPRGKRZSA-N 0 3 371.235 2.915 20 5 FFBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000453293054 514591979 /nfs/dbraw/zinc/59/19/79/514591979.db2.gz WQFOKDZDGBDQGS-YQQAZPJKSA-N 0 3 353.422 2.807 20 5 FFBDHN CN(C)CCN(Cc1ccsc1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000458201256 514623732 /nfs/dbraw/zinc/62/37/32/514623732.db2.gz LTAMAIYUCJGILH-UHFFFAOYSA-N 0 3 363.439 2.626 20 5 FFBDHN Cc1cc(NCc2ccc(OCCN3CCCC3)cc2)ncc1[N+](=O)[O-] ZINC000470862109 514648662 /nfs/dbraw/zinc/64/86/62/514648662.db2.gz DRNVGBHWNPXFJS-UHFFFAOYSA-N 0 3 356.426 2.807 20 5 FFBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000470964749 514696010 /nfs/dbraw/zinc/69/60/10/514696010.db2.gz AZNMHIGYGXBUQM-OAHLLOKOSA-N 0 3 361.442 2.988 20 5 FFBDHN CN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475546130 514710765 /nfs/dbraw/zinc/71/07/65/514710765.db2.gz GDPIUYZEDHPUPJ-QGZVFWFLSA-N 0 3 368.437 2.740 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1CNCCCCN1C(=O)NC2(CCCC2)C1=O ZINC000479878366 514755707 /nfs/dbraw/zinc/75/57/07/514755707.db2.gz BGJGFQHLNJXRSN-UHFFFAOYSA-N 0 3 374.441 2.638 20 5 FFBDHN CCN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)Cc1ccncc1 ZINC000502770742 514768611 /nfs/dbraw/zinc/76/86/11/514768611.db2.gz QKFKMWNFFIFXQY-UHFFFAOYSA-N 0 3 356.382 2.810 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000467018946 514866052 /nfs/dbraw/zinc/86/60/52/514866052.db2.gz QXCAQBIOZZFGKK-XHDPSFHLSA-N 0 3 372.450 2.931 20 5 FFBDHN CNC(=O)[C@H]1CCC[C@H]1NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000498362951 514881377 /nfs/dbraw/zinc/88/13/77/514881377.db2.gz HQTRDXIFFJZDIR-GOEBONIOSA-N 0 3 373.409 2.868 20 5 FFBDHN COc1ccc(CNC[C@H](CO)Cc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000480459956 514966909 /nfs/dbraw/zinc/96/69/09/514966909.db2.gz JDZPYWMCOAEIAV-CQSZACIVSA-N 0 3 366.364 2.822 20 5 FFBDHN O=C(CN[C@@H]1CCC[C@H]1OC(F)F)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000503408744 515023161 /nfs/dbraw/zinc/02/31/61/515023161.db2.gz UNWNAXOFVXQTAM-ZYHUDNBSSA-N 0 3 363.748 2.937 20 5 FFBDHN NC(=O)c1ccc(CN[C@H]2CCC[C@@H]2OCc2ccccc2)c([N+](=O)[O-])c1 ZINC000503523318 515065963 /nfs/dbraw/zinc/06/59/63/515065963.db2.gz PBHJWVXYQYHQGK-HKUYNNGSSA-N 0 3 369.421 2.921 20 5 FFBDHN Cc1c(CNC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000490198269 515138049 /nfs/dbraw/zinc/13/80/49/515138049.db2.gz CJGVYZBCRXWGJA-CQSZACIVSA-N 0 3 360.458 2.919 20 5 FFBDHN COc1c(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000476696891 515162811 /nfs/dbraw/zinc/16/28/11/515162811.db2.gz VVZAFWUDJXDZOG-PBHICJAKSA-N 0 3 369.421 2.854 20 5 FFBDHN CCC[C@H](N[C@@H]1CCOC[C@H]1OCCOC)c1cccc([N+](=O)[O-])c1 ZINC000486060553 515318636 /nfs/dbraw/zinc/31/86/36/515318636.db2.gz HOTKGQMMUBHNAP-RCCFBDPRSA-N 0 3 352.431 2.846 20 5 FFBDHN CO[C@H](c1ccccc1Cl)[C@@H](C)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000481513037 515355684 /nfs/dbraw/zinc/35/56/84/515355684.db2.gz CXZNWUXSHLZQDI-PXAZEXFGSA-N 0 3 365.817 2.776 20 5 FFBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000468488082 515383336 /nfs/dbraw/zinc/38/33/36/515383336.db2.gz PBJLIEOQDOORSS-KRWDZBQOSA-N 0 3 371.441 2.631 20 5 FFBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC(=O)NCCc1ccccc1 ZINC000468654168 515455840 /nfs/dbraw/zinc/45/58/40/515455840.db2.gz UJRWRWABOJCQMG-VBKFSLOCSA-N 0 3 353.422 2.947 20 5 FFBDHN CC(C)(CN1CCCC1)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000457045574 515604607 /nfs/dbraw/zinc/60/46/07/515604607.db2.gz YTWBGQDSPIHRIR-UHFFFAOYSA-N 0 3 360.458 2.799 20 5 FFBDHN CC1(C)CCCN1CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000457063485 515618464 /nfs/dbraw/zinc/61/84/64/515618464.db2.gz VTVVPLYKRFETCW-UHFFFAOYSA-N 0 3 370.247 2.962 20 5 FFBDHN CN(C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000505668537 515629510 /nfs/dbraw/zinc/62/95/10/515629510.db2.gz IDKQJXFNUQPXKY-UHFFFAOYSA-N 0 3 356.220 2.524 20 5 FFBDHN O=C(N[C@@H]1CCN(C2CC2)C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454644268 515636072 /nfs/dbraw/zinc/63/60/72/515636072.db2.gz OHVKKPSVJDNAMI-HZPDHXFCSA-N 0 3 358.442 2.721 20 5 FFBDHN COc1cc(CNC[C@@H]2CCC[C@H](O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493600551 515645449 /nfs/dbraw/zinc/64/54/49/515645449.db2.gz CPUPONBGYZVQRX-YPMHNXCESA-N 0 3 374.384 2.888 20 5 FFBDHN CCOc1cc(N2CCN(CC3CC(OCC)C3)CC2)ccc1[N+](=O)[O-] ZINC000510762131 515660268 /nfs/dbraw/zinc/66/02/68/515660268.db2.gz HZCLCKXPVFQPIP-UHFFFAOYSA-N 0 3 363.458 2.931 20 5 FFBDHN Cc1cc(C)c(S(=O)(=O)N(C)CCN(C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000493916067 515686107 /nfs/dbraw/zinc/68/61/07/515686107.db2.gz GNTJXWZFFJNRMA-UHFFFAOYSA-N 0 3 371.503 2.951 20 5 FFBDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)c2ccc([N+](=O)[O-])n2C)cc1 ZINC000500417756 515701025 /nfs/dbraw/zinc/70/10/25/515701025.db2.gz BLUDTWXKBCIGKQ-MRXNPFEDSA-N 0 3 372.425 2.509 20 5 FFBDHN CN(CCC(=O)Nc1ccc2c(c1)OCO2)CCc1ccccc1[N+](=O)[O-] ZINC000511073304 515766308 /nfs/dbraw/zinc/76/63/08/515766308.db2.gz KKTGLCKWVILGGP-UHFFFAOYSA-N 0 3 371.393 2.827 20 5 FFBDHN CCOC[C@H]1CCCCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000459728269 515773633 /nfs/dbraw/zinc/77/36/33/515773633.db2.gz ZFHQRRATNKQRJX-OAHLLOKOSA-N 0 3 363.414 2.784 20 5 FFBDHN COC(=O)COc1ccc(CNCC2(OC)CCCCC2)cc1[N+](=O)[O-] ZINC000474008438 515840330 /nfs/dbraw/zinc/84/03/30/515840330.db2.gz SSPMTCGQFHJUEY-UHFFFAOYSA-N 0 3 366.414 2.586 20 5 FFBDHN Cc1c(Br)cc(C(=O)NCC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000474082316 515873342 /nfs/dbraw/zinc/87/33/42/515873342.db2.gz RLBUKLQFIZPMFW-UHFFFAOYSA-N 0 3 370.247 2.880 20 5 FFBDHN Cc1cc(OCC(=O)N(CC(C)C)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000464577347 515880698 /nfs/dbraw/zinc/88/06/98/515880698.db2.gz SQHRMRMMBFUKJI-UHFFFAOYSA-N 0 3 363.458 2.861 20 5 FFBDHN Cc1ccsc1[C@H](CO)NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000494622741 515899562 /nfs/dbraw/zinc/89/95/62/515899562.db2.gz BPVYVIOWTCJFLC-HNNXBMFYSA-N 0 3 363.439 2.925 20 5 FFBDHN CN(CCN1CCN(c2ccccc2[N+](=O)[O-])CC1)Cc1ccccc1 ZINC000511428218 515900658 /nfs/dbraw/zinc/90/06/58/515900658.db2.gz WUTJVKBZAAAWRF-UHFFFAOYSA-N 0 3 354.454 2.849 20 5 FFBDHN Cc1ccc(CN(CCO)CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000501010913 515936591 /nfs/dbraw/zinc/93/65/91/515936591.db2.gz NZYQDFJZRNOTDK-UHFFFAOYSA-N 0 3 357.410 2.726 20 5 FFBDHN COC(=O)COc1ccc(CNc2cccc(CN(C)C)c2)cc1[N+](=O)[O-] ZINC000474349050 516005575 /nfs/dbraw/zinc/00/55/75/516005575.db2.gz GGSCRAGCXGDKEK-UHFFFAOYSA-N 0 3 373.409 2.820 20 5 FFBDHN CCN1CCN([C@H]2CCN(C/C(C)=C\c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000470169871 516157880 /nfs/dbraw/zinc/15/78/80/516157880.db2.gz LFPLDUYDOIDYMO-QUHSPFQSSA-N 0 3 358.486 2.710 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCSC[C@H]3CCO)o2)c1 ZINC000470205168 516172296 /nfs/dbraw/zinc/17/22/96/516172296.db2.gz COFJJLHGFFWQCG-OAHLLOKOSA-N 0 3 363.439 2.592 20 5 FFBDHN CN(C)CC(C)(C)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000455395202 516174055 /nfs/dbraw/zinc/17/40/55/516174055.db2.gz ALZZAGDDOVZQRJ-UHFFFAOYSA-N 0 3 359.224 2.819 20 5 FFBDHN COc1ccc(CC(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000547437926 516336316 /nfs/dbraw/zinc/33/63/16/516336316.db2.gz DQVLNGVJVMXQQO-JLTOFOAXSA-N 0 3 371.437 2.954 20 5 FFBDHN Cc1cc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1-c1ccccc1 ZINC000517733991 516430420 /nfs/dbraw/zinc/43/04/20/516430420.db2.gz NZVKHDAZAZPQLB-IBGZPJMESA-N 0 3 366.421 2.917 20 5 FFBDHN COc1ccc(NC(=O)N2CCCN(C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000543892050 516482885 /nfs/dbraw/zinc/48/28/85/516482885.db2.gz LCRDKKDDIZEWOI-UHFFFAOYSA-N 0 3 350.419 2.942 20 5 FFBDHN COC1CCN(C(C)(C)CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000518081070 516544237 /nfs/dbraw/zinc/54/42/37/516544237.db2.gz OIKYKLTYSFIKIS-UHFFFAOYSA-N 0 3 374.441 2.695 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000544298835 516687238 /nfs/dbraw/zinc/68/72/38/516687238.db2.gz GSDGHAAOEQYZJH-KGLIPLIRSA-N 0 3 364.446 2.666 20 5 FFBDHN Cc1nccn1C[C@H](C)CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000513656236 516709659 /nfs/dbraw/zinc/70/96/59/516709659.db2.gz QVBYEZRUHQTCAT-KDOFPFPSSA-N 0 3 368.441 2.849 20 5 FFBDHN C[C@H]1C[C@H]1N1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000561762602 516756670 /nfs/dbraw/zinc/75/66/70/516756670.db2.gz PBHBWZFGSKDJHQ-GRDNDAEWSA-N 0 3 363.483 2.876 20 5 FFBDHN CC(C)OCCN1CCC(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000536505688 516793588 /nfs/dbraw/zinc/79/35/88/516793588.db2.gz KNGLHMUQNBVMDX-UHFFFAOYSA-N 0 3 374.441 2.695 20 5 FFBDHN Cn1ccnc1[C@H](NCCN1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000514090716 516857989 /nfs/dbraw/zinc/85/79/89/516857989.db2.gz WIMWUNNBEHMZQT-GOSISDBHSA-N 0 3 357.458 2.883 20 5 FFBDHN C[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000555415191 516917176 /nfs/dbraw/zinc/91/71/76/516917176.db2.gz JEUGQODXSNZHJS-DXEWXGHRSA-N 0 3 359.426 2.859 20 5 FFBDHN O=[N+]([O-])c1ccc(OC2CCN(CCOC[C@@H]3CCCO3)CC2)cc1 ZINC000525282933 516991974 /nfs/dbraw/zinc/99/19/74/516991974.db2.gz MXVVGJVYSXVHSF-SFHVURJKSA-N 0 3 350.415 2.634 20 5 FFBDHN CN(Cc1ccccc1)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000548501866 517020600 /nfs/dbraw/zinc/02/06/00/517020600.db2.gz LGPSSVOXRRNATK-GOSISDBHSA-N 0 3 354.410 2.630 20 5 FFBDHN COc1ccc(NC(=O)CCN2C[C@H](C)S[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000532969377 517228084 /nfs/dbraw/zinc/22/80/84/517228084.db2.gz COTPVVUQFQRFCR-RYUDHWBXSA-N 0 3 353.444 2.758 20 5 FFBDHN Cn1c2ccc(CNCCOc3ccc([N+](=O)[O-])cc3)cc2sc1=O ZINC000525985628 517274937 /nfs/dbraw/zinc/27/49/37/517274937.db2.gz PTWJDKKVALNGRP-UHFFFAOYSA-N 0 3 359.407 2.677 20 5 FFBDHN COc1ccc(CNCCN2CCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000533104778 517298586 /nfs/dbraw/zinc/29/85/86/517298586.db2.gz QPYGXVDYWKRTOF-UHFFFAOYSA-N 0 3 371.437 2.978 20 5 FFBDHN CN(CCC(=O)NC(=O)Nc1ccccc1)CCc1cccc([N+](=O)[O-])c1 ZINC000548933616 517311258 /nfs/dbraw/zinc/31/12/58/517311258.db2.gz HZKIWELOOXQKFE-UHFFFAOYSA-N 0 3 370.409 2.808 20 5 FFBDHN CN(C)[C@@]1(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CCSC1 ZINC000545856431 517395623 /nfs/dbraw/zinc/39/56/23/517395623.db2.gz LRGWMEXXTRZHMD-QGZVFWFLSA-N 0 3 369.462 2.565 20 5 FFBDHN Cc1cc(C(=O)NCCc2ccc(OCCN(C)C)cc2)cc([N+](=O)[O-])c1 ZINC000520547572 517430902 /nfs/dbraw/zinc/43/09/02/517430902.db2.gz RYTAPGBBXLVNID-UHFFFAOYSA-N 0 3 371.437 2.816 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](C)[C@H]1COc2ccccc21 ZINC000542626207 517657996 /nfs/dbraw/zinc/65/79/96/517657996.db2.gz LDCGCEGGHAMQJW-UKRRQHHQSA-N 0 3 355.394 2.996 20 5 FFBDHN CS[C@H]1CN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1N(C)C ZINC000533928434 517672716 /nfs/dbraw/zinc/67/27/16/517672716.db2.gz QQUMIOFKPNGYRY-HOTGVXAUSA-N 0 3 373.482 2.842 20 5 FFBDHN CN1CCC(CCO)(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000516490646 517707992 /nfs/dbraw/zinc/70/79/92/517707992.db2.gz LPIFYVBOLYGFGY-UHFFFAOYSA-N 0 3 359.426 2.791 20 5 FFBDHN O=C1[C@H](N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000549920083 517782508 /nfs/dbraw/zinc/78/25/08/517782508.db2.gz PHFCICVHZVRKJG-BRSBDYLESA-N 0 3 371.437 2.637 20 5 FFBDHN COCCOC1(CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)CCOCC1 ZINC000516719381 517819995 /nfs/dbraw/zinc/81/99/95/517819995.db2.gz UZWOWCNLRYEVQL-OAHLLOKOSA-N 0 3 352.431 2.766 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cn2C)CCN1Cc1ccccc1 ZINC000530709897 517932719 /nfs/dbraw/zinc/93/27/19/517932719.db2.gz KJSDWHRIPIZBGT-HOCLYGCPSA-N 0 3 356.426 2.716 20 5 FFBDHN CC[NH+](CC)C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000530712744 517936208 /nfs/dbraw/zinc/93/62/08/517936208.db2.gz LZURAQBBVDCBSL-HUUCEWRRSA-N 0 3 369.487 2.774 20 5 FFBDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000539297227 517982936 /nfs/dbraw/zinc/98/29/36/517982936.db2.gz IBOBDBMMDNXKSC-HNNXBMFYSA-N 0 3 371.441 2.824 20 5 FFBDHN COc1ccc(CNC[C@@H](O)COc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000550366210 518014648 /nfs/dbraw/zinc/01/46/48/518014648.db2.gz YZNLPIHGRRLMBA-CYBMUJFWSA-N 0 3 366.801 2.786 20 5 FFBDHN CS[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@H]1N(C)C ZINC000534951807 518094995 /nfs/dbraw/zinc/09/49/95/518094995.db2.gz MPTAHRLKGTYITP-WBVHZDCISA-N 0 3 353.488 2.859 20 5 FFBDHN Cc1ccc([C@H](CNc2ncnc3cccc([N+](=O)[O-])c32)N(C)C)cc1 ZINC000543450889 518098102 /nfs/dbraw/zinc/09/81/02/518098102.db2.gz DVCVHEUTJVETEB-KRWDZBQOSA-N 0 3 351.410 2.983 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000564132034 518317778 /nfs/dbraw/zinc/31/77/78/518317778.db2.gz ZMKUHRGIMXWUFE-OXJNMPFZSA-N 0 3 368.437 2.877 20 5 FFBDHN CC1=C[C@@H](C)C[C@@H](CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000564579909 518511984 /nfs/dbraw/zinc/51/19/84/518511984.db2.gz WOKVOKJKHWFERN-UKRRQHHQSA-N 0 3 352.456 2.951 20 5 FFBDHN C[C@H](C(=O)N[C@H]1CN(C)C[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000573158584 518531827 /nfs/dbraw/zinc/53/18/27/518531827.db2.gz DTYWGWKNYPLSDT-KYNGSXCRSA-N 0 3 353.422 2.912 20 5 FFBDHN Cc1ccc(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)cc1[N+](=O)[O-] ZINC000576366481 518558665 /nfs/dbraw/zinc/55/86/65/518558665.db2.gz AEWDORYLROYTCM-QGZVFWFLSA-N 0 3 355.394 2.722 20 5 FFBDHN O=C([C@@H]1CNCc2ccccc21)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000579350305 518639611 /nfs/dbraw/zinc/63/96/11/518639611.db2.gz GUNGJVOTDOWDGI-LJQANCHMSA-N 0 3 351.406 2.973 20 5 FFBDHN NC[C@@H]1c2ccccc2CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000567895208 518772218 /nfs/dbraw/zinc/77/22/18/518772218.db2.gz ALIPCQKJRMUMBB-QGZVFWFLSA-N 0 3 365.393 2.703 20 5 FFBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCCn1cc(Br)cn1 ZINC000579852587 518888485 /nfs/dbraw/zinc/88/84/85/518888485.db2.gz QLQMAUKQLXPIRF-CYBMUJFWSA-N 0 3 351.204 2.831 20 5 FFBDHN C[C@@H](O)C[C@@H]1CCCCCN1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589187592 518944355 /nfs/dbraw/zinc/94/43/55/518944355.db2.gz BCCPRWHRCSTQOU-HIFRSBDPSA-N 0 3 350.415 2.882 20 5 FFBDHN CCc1ccc([C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)N(CC)CC)cc1 ZINC000580109964 519012123 /nfs/dbraw/zinc/01/21/23/519012123.db2.gz CSBKCMNFSMVQOE-GOSISDBHSA-N 0 3 373.457 2.553 20 5 FFBDHN C[C@H]1CCN(CCNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000568460505 519046795 /nfs/dbraw/zinc/04/67/95/519046795.db2.gz YQIKYJFLWSAMPF-LBPRGKRZSA-N 0 3 360.439 2.790 20 5 FFBDHN CCc1ccc(S(=O)(=O)N(C)[C@H]2CCN(CC)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000577389887 519057163 /nfs/dbraw/zinc/05/71/63/519057163.db2.gz BXWSELGHVYGDNJ-BBRMVZONSA-N 0 3 369.487 2.508 20 5 FFBDHN CN1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1Cc1ccccc1 ZINC000583100591 519076635 /nfs/dbraw/zinc/07/66/35/519076635.db2.gz RMAAOHKZVCRUJN-INIZCTEOSA-N 0 3 351.410 2.834 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H]2CCSc3ccc(Cl)cc32)c1 ZINC000580277020 519092508 /nfs/dbraw/zinc/09/25/08/519092508.db2.gz NIPNCDPJKPLNGE-GXTWGEPZSA-N 0 3 368.846 2.632 20 5 FFBDHN COc1cc(CN[C@H]2CC[C@@](O)(C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000589938997 519109346 /nfs/dbraw/zinc/10/93/46/519109346.db2.gz LSHZEVYOQMWUPW-HZMBPMFUSA-N 0 3 364.320 2.548 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000589997204 519123540 /nfs/dbraw/zinc/12/35/40/519123540.db2.gz ZRPGRSVMHTVMLT-QGZVFWFLSA-N 0 3 355.394 2.722 20 5 FFBDHN C[C@@H](c1ccccc1)[C@H](NCCCOc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000590000484 519125681 /nfs/dbraw/zinc/12/56/81/519125681.db2.gz GLRAVSGOJCOAEO-KSSFIOAISA-N 0 3 357.410 2.611 20 5 FFBDHN COc1ccc(-c2ccc(CN3CC[C@@H]4CN(C)C[C@@H]43)o2)c([N+](=O)[O-])c1 ZINC000590052741 519137381 /nfs/dbraw/zinc/13/73/81/519137381.db2.gz KENXLDSQUBEHBK-ACJLOTCBSA-N 0 3 357.410 2.999 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCCOc1cccc(Cl)c1 ZINC000580543579 519230068 /nfs/dbraw/zinc/23/00/68/519230068.db2.gz JJHHEBZMHICWDE-CQSZACIVSA-N 0 3 366.801 2.657 20 5 FFBDHN CN1C[C@@H]2CCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000590446469 519235850 /nfs/dbraw/zinc/23/58/50/519235850.db2.gz VOBVPFYNTLEUHX-GXFFZTMASA-N 0 3 355.847 2.503 20 5 FFBDHN CC(C)[C@@H]1C[C@H](CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000590658519 519306264 /nfs/dbraw/zinc/30/62/64/519306264.db2.gz PBKRWXHJTUKXEY-CJNGLKHVSA-N 0 3 350.415 2.907 20 5 FFBDHN O=[N+]([O-])c1cccc2c1ccnc2N1CCCN(C[C@H]2CCCO2)CC1 ZINC000590685688 519316569 /nfs/dbraw/zinc/31/65/69/519316569.db2.gz SHDKAVBCHAQYFO-OAHLLOKOSA-N 0 3 356.426 2.834 20 5 FFBDHN O=C([C@H]1CNCc2ccccc21)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000571915760 519345529 /nfs/dbraw/zinc/34/55/29/519345529.db2.gz YRQNHNRTMDUZMX-SFHVURJKSA-N 0 3 351.406 2.973 20 5 FFBDHN NC[C@H]1c2ccccc2CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000566258839 519397472 /nfs/dbraw/zinc/39/74/72/519397472.db2.gz DWZUDWWMOSEIKS-IBGZPJMESA-N 0 3 368.437 2.872 20 5 FFBDHN O=[N+]([O-])c1cnc(N2CCN(c3ccncc3)CC2)c(C(F)(F)F)c1 ZINC000591136891 519525460 /nfs/dbraw/zinc/52/54/60/519525460.db2.gz FUIVDVRPDHDKDW-UHFFFAOYSA-N 0 3 353.304 2.730 20 5 FFBDHN C[C@H](CNCc1cc([N+](=O)[O-])ccc1OC(F)F)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594516026 520011584 /nfs/dbraw/zinc/01/15/84/520011584.db2.gz VXXJUSKFSPVCBG-UPJWGTAASA-N 0 3 373.400 2.784 20 5 FFBDHN C[C@@H](CNC[C@@H](O)COc1ccccc1[N+](=O)[O-])Oc1ccc(F)cc1 ZINC000591744978 520019489 /nfs/dbraw/zinc/01/94/89/520019489.db2.gz YHMMUJCVXGDVFH-DZGCQCFKSA-N 0 3 364.373 2.531 20 5 FFBDHN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N[C@H]1CCCN2CCCC[C@H]12 ZINC000594604059 520049947 /nfs/dbraw/zinc/04/99/47/520049947.db2.gz XRPKZDRUBPUBKI-PKOBYXMFSA-N 0 3 374.485 2.856 20 5 FFBDHN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCNC2(CCCCC2)C1 ZINC000594628899 520060881 /nfs/dbraw/zinc/06/08/81/520060881.db2.gz NVKCSSFXQXJIPO-UHFFFAOYSA-N 0 3 369.425 2.529 20 5 FFBDHN Cc1cc(S(=O)(=O)N[C@@H]2CCN(C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000594854521 520191064 /nfs/dbraw/zinc/19/10/64/520191064.db2.gz OYRJRVDCIWWSTG-CQSZACIVSA-N 0 3 367.471 2.589 20 5 FFBDHN COCC(=O)N1CCC(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000609222868 520237135 /nfs/dbraw/zinc/23/71/35/520237135.db2.gz MEEOESIAYVHIFE-UHFFFAOYSA-N 0 3 373.409 2.582 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C(C)C)C1(CO)CC=CC1 ZINC000592178305 520247264 /nfs/dbraw/zinc/24/72/64/520247264.db2.gz YFFSUNIHVVZHDD-SFHVURJKSA-N 0 3 361.442 2.785 20 5 FFBDHN O=C(NC[C@H]1CCN1C1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000600470720 520278239 /nfs/dbraw/zinc/27/82/39/520278239.db2.gz ICDZZVCYILPDBF-QGZVFWFLSA-N 0 3 372.469 2.942 20 5 FFBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000609358852 520294907 /nfs/dbraw/zinc/29/49/07/520294907.db2.gz GBPRTJXAGSWZHM-GJZGRUSLSA-N 0 3 363.462 2.569 20 5 FFBDHN CCCc1n[nH]c(C(=O)NCC(C)(C)N2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000609476783 520323733 /nfs/dbraw/zinc/32/37/33/520323733.db2.gz REXKPCAQHDTPFP-LBPRGKRZSA-N 0 3 351.451 2.511 20 5 FFBDHN CC(C)(C)N1CC[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000597925412 520326305 /nfs/dbraw/zinc/32/63/05/520326305.db2.gz ORVKVVCCVSRKJT-HNNXBMFYSA-N 0 3 360.458 2.798 20 5 FFBDHN CC(C)(C)N1CC[C@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000597926029 520327193 /nfs/dbraw/zinc/32/71/93/520327193.db2.gz ZRILEDGOMYCRJY-ZDUSSCGKSA-N 0 3 357.414 2.588 20 5 FFBDHN CCN(C(=O)c1cc([N+](=O)[O-])cc(Br)c1C)[C@H]1CCN(C)C1 ZINC000597945057 520344388 /nfs/dbraw/zinc/34/43/88/520344388.db2.gz HFPXRLXJPWASII-NSHDSACASA-N 0 3 370.247 2.832 20 5 FFBDHN COc1ccc(C(=O)N2CC[C@H](c3cccc(F)c3)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000595226647 520360800 /nfs/dbraw/zinc/36/08/00/520360800.db2.gz XMXYEWZBBOFJNL-HZPDHXFCSA-N 0 3 373.384 2.700 20 5 FFBDHN O=[N+]([O-])c1ncccc1NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000603867510 520385124 /nfs/dbraw/zinc/38/51/24/520385124.db2.gz WMQHCCLIAFBCKY-UHFFFAOYSA-N 0 3 369.469 3.000 20 5 FFBDHN CCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCN(CC)C1 ZINC000598040544 520389500 /nfs/dbraw/zinc/38/95/00/520389500.db2.gz HTNPBLQEPSNTMB-GXTWGEPZSA-N 0 3 369.849 2.958 20 5 FFBDHN C[C@H](c1ccccc1)[C@@H](CO)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000613388994 520478590 /nfs/dbraw/zinc/47/85/90/520478590.db2.gz AYDMBNKEKICCSL-QWQRMKEZSA-N 0 3 357.410 2.676 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](CO)[C@H](C)c1ccccc1 ZINC000613389785 520479264 /nfs/dbraw/zinc/47/92/64/520479264.db2.gz QROVPFFKIJODOP-RDTXWAMCSA-N 0 3 357.410 2.596 20 5 FFBDHN CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1CCN(C2CC2)C1 ZINC000610044965 520515468 /nfs/dbraw/zinc/51/54/68/520515468.db2.gz KEDNKCLDFQKQDR-LBPRGKRZSA-N 0 3 368.231 2.666 20 5 FFBDHN COCC[C@@H]1CCCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000613503380 520533108 /nfs/dbraw/zinc/53/31/08/520533108.db2.gz QZYJAJBHOCHWDB-MAUKXSAKSA-N 0 3 361.442 2.839 20 5 FFBDHN CCCN1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000598341461 520564479 /nfs/dbraw/zinc/56/44/79/520564479.db2.gz BZXRNBKORAMFIP-SNVBAGLBSA-N 0 3 356.220 2.571 20 5 FFBDHN COC[C@@H](NCc1cc([N+](=O)[O-])ccc1OC(C)C)C1CCOCC1 ZINC000595613656 520594025 /nfs/dbraw/zinc/59/40/25/520594025.db2.gz CYHLWDJVGSMOBN-QGZVFWFLSA-N 0 3 352.431 2.913 20 5 FFBDHN CCCCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccc(C)o1 ZINC000610368246 520653098 /nfs/dbraw/zinc/65/30/98/520653098.db2.gz PYDQZVDCNOYKHN-ZBFHGGJFSA-N 0 3 350.419 2.917 20 5 FFBDHN CN(C)CCOc1ccc(CN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1 ZINC000601149159 520660458 /nfs/dbraw/zinc/66/04/58/520660458.db2.gz KAFYMHBDZRYOMJ-HXUWFJFHSA-N 0 3 373.453 2.533 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c1 ZINC000610392184 520664115 /nfs/dbraw/zinc/66/41/15/520664115.db2.gz ALPZMZZSBXXEMV-NVXWUHKLSA-N 0 3 369.425 2.513 20 5 FFBDHN Cc1cc(C(=O)N2CC3(CCCC3)OC[C@H]2CN(C)C)cc([N+](=O)[O-])c1 ZINC000598535934 520687362 /nfs/dbraw/zinc/68/73/62/520687362.db2.gz LSOYYWCJEDMUNY-QGZVFWFLSA-N 0 3 361.442 2.619 20 5 FFBDHN Cc1ccc(C(=O)N2CC3(CCCC3)OC[C@@H]2CN(C)C)cc1[N+](=O)[O-] ZINC000598536235 520688131 /nfs/dbraw/zinc/68/81/31/520688131.db2.gz PMDHHKFUPIMGAB-INIZCTEOSA-N 0 3 361.442 2.619 20 5 FFBDHN Cc1cc(NC[C@@H](n2cncn2)C(F)(F)F)c2cc([N+](=O)[O-])ccc2n1 ZINC000601219265 520692901 /nfs/dbraw/zinc/69/29/01/520692901.db2.gz FVCXQIPTVLCBQN-CQSZACIVSA-N 0 3 366.303 2.680 20 5 FFBDHN Cc1c(Br)cc(C(=O)N2CCN[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000598571119 520715963 /nfs/dbraw/zinc/71/59/63/520715963.db2.gz GMAPNAIJQPAMLF-CYBMUJFWSA-N 0 3 370.247 2.736 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCCN2CCC(O[C@@H]3CCOC3)CC2)cc1 ZINC000610504685 520718244 /nfs/dbraw/zinc/71/82/44/520718244.db2.gz ZOCBVEMKTCSSAF-GOSISDBHSA-N 0 3 350.415 2.634 20 5 FFBDHN O=C(CCN1CCOC(C2CC2)(C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595822619 520747092 /nfs/dbraw/zinc/74/70/92/520747092.db2.gz YFOMVPNSPJCHME-UHFFFAOYSA-N 0 3 359.426 2.814 20 5 FFBDHN Cc1cc(S(=O)(=O)N2CCCC[C@H](N3CCCC3)C2)c([N+](=O)[O-])s1 ZINC000601340627 520749083 /nfs/dbraw/zinc/74/90/83/520749083.db2.gz RYTBMHXUYGACMV-ZDUSSCGKSA-N 0 3 373.500 2.604 20 5 FFBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593115980 520756501 /nfs/dbraw/zinc/75/65/01/520756501.db2.gz KCSYMNGYXJVJSJ-CQSZACIVSA-N 0 3 359.401 2.913 20 5 FFBDHN COc1ccc(NC(=O)CCN2CC[C@@]3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC000593119234 520758283 /nfs/dbraw/zinc/75/82/83/520758283.db2.gz VUEHGGGKGWKFTF-OAHLLOKOSA-N 0 3 355.341 2.663 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](OCCN2CCCCC2)C1 ZINC000610733141 520820221 /nfs/dbraw/zinc/82/02/21/520820221.db2.gz KJPGZQUHSCRVRR-KRWDZBQOSA-N 0 3 361.442 2.620 20 5 FFBDHN CN(C(=O)C(C[C@H]1COCCO1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000598802372 520849775 /nfs/dbraw/zinc/84/97/75/520849775.db2.gz CKVNXMMZKOMAMF-STQMWFEESA-N 0 3 362.304 2.542 20 5 FFBDHN O=C(Nc1ccc([N+](=O)[O-])cc1F)C(C[C@@H]1COCCO1)C(F)(F)F ZINC000598807788 520852490 /nfs/dbraw/zinc/85/24/90/520852490.db2.gz LNIHNBAIOWGMDM-NXEZZACHSA-N 0 3 366.267 2.656 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000610816240 520853870 /nfs/dbraw/zinc/85/38/70/520853870.db2.gz DWNGGWFKWYHZKW-LSDHHAIUSA-N 0 3 368.437 2.932 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1cnccc1C(F)(F)F ZINC000596069408 520891955 /nfs/dbraw/zinc/89/19/55/520891955.db2.gz GKGZCIVTLUPTKL-LBPRGKRZSA-N 0 3 371.315 2.538 20 5 FFBDHN CCN1CCN(CCCNc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596074377 520894839 /nfs/dbraw/zinc/89/48/39/520894839.db2.gz SGPFASKXCLCQSF-UHFFFAOYSA-N 0 3 371.279 2.797 20 5 FFBDHN CCN1CCN(C[C@@H](C)CNc2cc(OC)c([N+](=O)[O-])cc2Cl)CC1 ZINC000596083290 520903027 /nfs/dbraw/zinc/90/30/27/520903027.db2.gz ZPBIRIQJERWDAI-ZDUSSCGKSA-N 0 3 370.881 2.942 20 5 FFBDHN O=[N+]([O-])c1cc(CN2CCOC3(CNC3)C2)ccc1Oc1ccc(F)cc1 ZINC000596107109 520916170 /nfs/dbraw/zinc/91/61/70/520916170.db2.gz QUVATYLDGQEEPL-UHFFFAOYSA-N 0 3 373.384 2.700 20 5 FFBDHN CN(CCN1CCCCC1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000593386189 520957408 /nfs/dbraw/zinc/95/74/08/520957408.db2.gz DZRIFYDBRTYLEZ-UHFFFAOYSA-N 0 3 368.865 2.918 20 5 FFBDHN O=[N+]([O-])c1cc(CNCC2(OCCO)CCC(F)(F)CC2)cs1 ZINC000598993999 520965830 /nfs/dbraw/zinc/96/58/30/520965830.db2.gz VMIOMXXKJGCFAR-UHFFFAOYSA-N 0 3 350.387 2.703 20 5 FFBDHN O=[N+]([O-])c1cnc(N2CCC(N3CCCOCC3)CC2)c(C(F)(F)F)c1 ZINC000596269366 521002436 /nfs/dbraw/zinc/00/24/36/521002436.db2.gz RVJLVZHCDPCQGT-UHFFFAOYSA-N 0 3 374.363 2.700 20 5 FFBDHN Cc1nc(N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000593496582 521031429 /nfs/dbraw/zinc/03/14/29/521031429.db2.gz SNBAZHDMXYKIDF-RBUKOAKNSA-N 0 3 368.437 2.778 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@H]3CCOc4ccccc43)CC2)cn1 ZINC000611254455 521059532 /nfs/dbraw/zinc/05/95/32/521059532.db2.gz NHSMOMYAQMEBFU-OAHLLOKOSA-N 0 3 354.410 2.678 20 5 FFBDHN C[C@H](CO)C1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000593677261 521148483 /nfs/dbraw/zinc/14/84/83/521148483.db2.gz WGVNUCGRFGFSHA-CQSZACIVSA-N 0 3 358.442 2.836 20 5 FFBDHN COc1ccc(NC(=O)CCN2CCC[C@@H](OC(F)F)C2)c([N+](=O)[O-])c1 ZINC000611577756 521231854 /nfs/dbraw/zinc/23/18/54/521231854.db2.gz KRZUYVRLPSNVTL-GFCCVEGCSA-N 0 3 373.356 2.636 20 5 FFBDHN O=[N+]([O-])c1ccc2ncnc(N3CC[C@H](OCCN4CCCCC4)C3)c2c1 ZINC000611712253 521294220 /nfs/dbraw/zinc/29/42/20/521294220.db2.gz ZCJVURVCUYEQHV-INIZCTEOSA-N 0 3 371.441 2.619 20 5 FFBDHN CCC1(N2CCOCC2)CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000599664089 521377198 /nfs/dbraw/zinc/37/71/98/521377198.db2.gz MTPZKEOMYFXUMG-UHFFFAOYSA-N 0 3 373.457 2.548 20 5 FFBDHN CC(=O)N1CCC(NCc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602500930 521381959 /nfs/dbraw/zinc/38/19/59/521381959.db2.gz CNBFEGJSGOULHQ-UHFFFAOYSA-N 0 3 362.249 2.519 20 5 FFBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCCCCN1CCOCC1 ZINC000602514749 521389894 /nfs/dbraw/zinc/38/98/94/521389894.db2.gz QGFLBPWPRHJEIB-UHFFFAOYSA-N 0 3 361.364 2.816 20 5 FFBDHN CCn1nc(C)c(CNC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1C ZINC000602535610 521401204 /nfs/dbraw/zinc/40/12/04/521401204.db2.gz ZYXPIWUKNMRVGF-UHFFFAOYSA-N 0 3 358.446 2.582 20 5 FFBDHN COC(=O)C1C[C@H](C)N(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000599699204 521411456 /nfs/dbraw/zinc/41/14/56/521411456.db2.gz XMDZMAASSCNRJG-STQMWFEESA-N 0 3 363.414 2.585 20 5 FFBDHN O=[N+]([O-])c1sc(CNC[C@H](CO)c2cccnc2)cc1Br ZINC000602662559 521466641 /nfs/dbraw/zinc/46/66/41/521466641.db2.gz PAOVHKOCQBUQAE-SNVBAGLBSA-N 0 3 372.244 2.680 20 5 FFBDHN C[C@H](Cc1cnn(C)c1)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602685104 521479098 /nfs/dbraw/zinc/47/90/98/521479098.db2.gz YKPBPSARJMQKMT-MRVPVSSYSA-N 0 3 359.249 2.873 20 5 FFBDHN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N[C@@H]1CCN(CC2CC2)C1 ZINC000599830642 521499575 /nfs/dbraw/zinc/49/95/75/521499575.db2.gz WDVWCRSWKHRAPH-CYBMUJFWSA-N 0 3 355.398 2.749 20 5 FFBDHN C[C@@H]1C[C@@H](N(C)C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CCN1C ZINC000597103911 521509177 /nfs/dbraw/zinc/50/91/77/521509177.db2.gz MQUMWIRNVRHAFU-KOLCDFICSA-N 0 3 355.826 2.777 20 5 FFBDHN O=C1CC[C@@H]2CN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC[C@H]2N1 ZINC000597204843 521572535 /nfs/dbraw/zinc/57/25/35/521572535.db2.gz GGAOTVBBYQQQIC-RHSMWYFYSA-N 0 3 355.394 2.955 20 5 FFBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000820253254 606997640 /nfs/dbraw/zinc/99/76/40/606997640.db2.gz HMDGIXOTSMBEOQ-ZDUSSCGKSA-N 0 3 352.398 2.886 20 5 FFBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000820253254 606997641 /nfs/dbraw/zinc/99/76/41/606997641.db2.gz HMDGIXOTSMBEOQ-ZDUSSCGKSA-N 0 3 352.398 2.886 20 5 FFBDHN C[NH+](C)[C@H](CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000825848429 607840509 /nfs/dbraw/zinc/84/05/09/607840509.db2.gz CRBIYDREXCWTTR-MRXNPFEDSA-N 0 3 359.434 2.697 20 5 FFBDHN C[C@@H]([NH2+]CCCOc1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000824592238 608468437 /nfs/dbraw/zinc/46/84/37/608468437.db2.gz KSUTWTASVXRPKZ-CYBMUJFWSA-N 0 3 368.397 2.895 20 5 FFBDHN C[C@@H]([NH2+]CCCOc1cccc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000824592238 608468438 /nfs/dbraw/zinc/46/84/38/608468438.db2.gz KSUTWTASVXRPKZ-CYBMUJFWSA-N 0 3 368.397 2.895 20 5 FFBDHN Cc1nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164896264 721511954 /nfs/dbraw/zinc/51/19/54/721511954.db2.gz AESSGNGEUAHDJU-DOTOQJQBSA-N 0 3 372.400 2.779 20 5 FFBDHN COc1c([O-])ccc(C[N@@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000898513776 735373521 /nfs/dbraw/zinc/37/35/21/735373521.db2.gz YEOKOPMMSHXVFA-DZGCQCFKSA-N 0 3 350.415 2.948 20 5 FFBDHN COc1c([O-])ccc(C[N@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000898513776 735373526 /nfs/dbraw/zinc/37/35/26/735373526.db2.gz YEOKOPMMSHXVFA-DZGCQCFKSA-N 0 3 350.415 2.948 20 5 FFBDHN CC[C@@H](C)N(C)CCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000110508285 728532175 /nfs/dbraw/zinc/53/21/75/728532175.db2.gz AFYJQGYSHHKINB-SNVBAGLBSA-N 0 3 365.402 2.733 20 5 FFBDHN CN(C)CCn1nccc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000294254667 729722108 /nfs/dbraw/zinc/72/21/08/729722108.db2.gz YFZDUIWFAKVVPT-GQCTYLIASA-N 0 3 363.805 2.658 20 5 FFBDHN CC(C)N1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000760814742 736670456 /nfs/dbraw/zinc/67/04/56/736670456.db2.gz BLSHKTMHMVOKQR-UHFFFAOYSA-N 0 3 370.247 2.914 20 5 FFBDHN COCCN1CCC[C@@H]1CNc1cccc(Br)c1[N+](=O)[O-] ZINC000856728636 730350905 /nfs/dbraw/zinc/35/09/05/730350905.db2.gz XCUIOPURIVIRTB-LLVKDONJSA-N 0 3 358.236 2.880 20 5 FFBDHN C[C@@H]1CN(CCCCNC(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@H](C)O1 ZINC000859942399 730469952 /nfs/dbraw/zinc/46/99/52/730469952.db2.gz UCRDVDALUSVBMH-BETUJISGSA-N 0 3 369.849 2.867 20 5 FFBDHN O=C(OCCC[N+](=O)[O-])C1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000860916252 730559155 /nfs/dbraw/zinc/55/91/55/730559155.db2.gz RDNSEJVPVZLBJM-JTQLQIEISA-N 0 3 361.181 2.556 20 5 FFBDHN CO[C@H]1CN(C)[C@@](C)(COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000861345977 730602255 /nfs/dbraw/zinc/60/22/55/730602255.db2.gz BXUMUVXWNGKSAY-CRAIPNDOSA-N 0 3 350.415 2.525 20 5 FFBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000874832579 732105089 /nfs/dbraw/zinc/10/50/89/732105089.db2.gz FXRPAPWJXNNTGN-STQMWFEESA-N 0 3 355.341 2.505 20 5 FFBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000874837187 732105751 /nfs/dbraw/zinc/10/57/51/732105751.db2.gz IZUFOJFYQPPDAK-CHWSQXEVSA-N 0 3 368.231 2.666 20 5 FFBDHN CCN1CCCN(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC000878036121 732471981 /nfs/dbraw/zinc/47/19/81/732471981.db2.gz GXTURNFZCQVOPA-UHFFFAOYSA-N 0 3 365.821 2.826 20 5 FFBDHN CC(C)(CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)CS(C)(=O)=O ZINC000926956839 738673861 /nfs/dbraw/zinc/67/38/61/738673861.db2.gz ZZYQUHSHHPIVOW-HNNXBMFYSA-N 0 3 354.472 2.978 20 5 FFBDHN COC[C@@H](NCc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000883295403 733361639 /nfs/dbraw/zinc/36/16/39/733361639.db2.gz HLAAGDFHPUJXTA-GXTWGEPZSA-N 0 3 373.247 2.889 20 5 FFBDHN CC1(C)C[C@H](NCC[C@@H]2CCCS2(=O)=O)c2cc([N+](=O)[O-])ccc21 ZINC000883308116 733365784 /nfs/dbraw/zinc/36/57/84/733365784.db2.gz IIVZVLYBBJKWBL-BBRMVZONSA-N 0 3 352.456 2.874 20 5 FFBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000888288151 734032364 /nfs/dbraw/zinc/03/23/64/734032364.db2.gz CQBGLVFOVSDULT-NWDGAFQWSA-N 0 3 368.821 2.541 20 5 FFBDHN COc1c([O-])ccc(C[NH2+][C@H]2CCOC3(CCSCC3)C2)c1[N+](=O)[O-] ZINC000893211523 734669193 /nfs/dbraw/zinc/66/91/93/734669193.db2.gz XYAQSNQMMOQEHZ-ZDUSSCGKSA-N 0 3 368.455 2.843 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)ccc1CNC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000894277775 734829465 /nfs/dbraw/zinc/82/94/65/734829465.db2.gz MSPWVOJSUFPDHX-CJNGLKHVSA-N 0 3 354.834 2.906 20 5 FFBDHN CC1(N2CCC2)CCC(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000896255437 735126437 /nfs/dbraw/zinc/12/64/37/735126437.db2.gz KHBCUTCJYUPFPI-UHFFFAOYSA-N 0 3 367.471 2.817 20 5 FFBDHN C[C@@H](CNCc1c(Br)cnn1C)c1ccccc1[N+](=O)[O-] ZINC000897463506 735237947 /nfs/dbraw/zinc/23/79/47/735237947.db2.gz HLDCZPRNWLCKJS-JTQLQIEISA-N 0 3 353.220 2.984 20 5 FFBDHN CN1C[C@H]2CCN(C(=O)c3cc(F)c(Cl)c([N+](=O)[O-])c3Cl)[C@H]2C1 ZINC000897826192 735280910 /nfs/dbraw/zinc/28/09/10/735280910.db2.gz VAUXOWMCXWLPML-XCBNKYQSSA-N 0 3 362.188 2.817 20 5 FFBDHN CC(C)[C@H](N)c1cn(Cc2c(Br)cccc2[N+](=O)[O-])nn1 ZINC000900640966 735672896 /nfs/dbraw/zinc/67/28/96/735672896.db2.gz JIZBXOSLFBAEMB-ZDUSSCGKSA-N 0 3 354.208 2.653 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](O)CNCc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000749671398 735737587 /nfs/dbraw/zinc/73/75/87/735737587.db2.gz NZIROSXGXWPDIP-OAHLLOKOSA-N 0 3 364.785 2.843 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](C(F)(F)F)C1 ZINC000761049273 736690811 /nfs/dbraw/zinc/69/08/11/736690811.db2.gz PCTWUFMMWNPGJI-JTQLQIEISA-N 0 3 361.320 2.816 20 5 FFBDHN COCCN1CCC(Nc2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000765475174 737121995 /nfs/dbraw/zinc/12/19/95/737121995.db2.gz JNLPDAUWFGBSLC-UHFFFAOYSA-N 0 3 358.236 2.880 20 5 FFBDHN CS[C@H]1CN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000777310867 738277253 /nfs/dbraw/zinc/27/72/53/738277253.db2.gz SVUSMNKJWXMISL-CABCVRRESA-N 0 3 367.446 2.694 20 5 FFBDHN COC(=O)c1cnc([C@H]2CCN(CCc3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000932662935 739487462 /nfs/dbraw/zinc/48/74/62/739487462.db2.gz KYLRIKWGLMENRU-ZDUSSCGKSA-N 0 3 361.423 2.870 20 5 FFBDHN CCOC(=O)C1([C@@H](C)NCc2ccc([N+](=O)[O-])cc2F)CCOCC1 ZINC000933881022 739700688 /nfs/dbraw/zinc/70/06/88/739700688.db2.gz HEDVJVITDJKHNI-GFCCVEGCSA-N 0 3 354.378 2.572 20 5 FFBDHN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC1CCN(C[C@H]2CCCO2)CC1 ZINC000804349668 740862868 /nfs/dbraw/zinc/86/28/68/740862868.db2.gz PRZJFUXXNWNZOD-CYBMUJFWSA-N 0 3 350.375 2.558 20 5 FFBDHN O=[N+]([O-])c1cc(I)cc(CNC[C@@H]2CCC=CO2)c1 ZINC000810155057 741393127 /nfs/dbraw/zinc/39/31/27/741393127.db2.gz WKGAXUKZWJYPND-ZDUSSCGKSA-N 0 3 374.178 2.982 20 5 FFBDHN CC(C)N(C)C[C@@H](C)Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000811859445 741568610 /nfs/dbraw/zinc/56/86/10/741568610.db2.gz RVWGHAMRTQHBDQ-SNVBAGLBSA-N 0 3 365.402 2.732 20 5 FFBDHN CC(COC(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1)[N+](=O)[O-] ZINC000813102183 741677024 /nfs/dbraw/zinc/67/70/24/741677024.db2.gz OSYYMZOZFUOOAG-GHMZBOCLSA-N 0 3 361.320 2.525 20 5 FFBDHN CC(COC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)[N+](=O)[O-] ZINC000813099767 741677045 /nfs/dbraw/zinc/67/70/45/741677045.db2.gz CIHAGCOUWNQTRO-QMMMGPOBSA-N 0 3 361.251 2.852 20 5 FFBDHN COC(=O)[C@@H]1CCC[C@@H]1N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000830991006 745463341 /nfs/dbraw/zinc/46/33/41/745463341.db2.gz PUMKLDSRKKNVSZ-XWIASGKRSA-N 0 3 369.805 2.507 20 5 FFBDHN CC1(C)[C@H](NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]2CCCO[C@@H]21 ZINC000831319779 745514631 /nfs/dbraw/zinc/51/46/31/745514631.db2.gz AHJPQWYWHJEWPS-XZJROXQQSA-N 0 3 367.833 2.980 20 5 FFBDHN CC(C)(C)OC(=O)[C@]1(C)CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000839105060 746775859 /nfs/dbraw/zinc/77/58/59/746775859.db2.gz OEICIYCKWSHDSF-CRAIPNDOSA-N 0 3 350.415 2.682 20 5 FFBDHN CCN1C[C@H](C)N(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000839532337 746848758 /nfs/dbraw/zinc/84/87/58/746848758.db2.gz WQEYIRSHFRGJFY-RYUDHWBXSA-N 0 3 354.838 2.601 20 5 FFBDHN CC([C@@H](OC(=O)CN(C)[C@@H]1CCSC1)c1ccccc1F)[N+](=O)[O-] ZINC000845875557 748342083 /nfs/dbraw/zinc/34/20/83/748342083.db2.gz LQAYOUWIPYLYEG-XHBSWPGZSA-N 0 3 356.419 2.513 20 5 FFBDHN Cc1cnc(COCC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])o1 ZINC000845883031 748343918 /nfs/dbraw/zinc/34/39/18/748343918.db2.gz QZGMVOCKIOJEOY-MEDUHNTESA-N 0 3 352.318 2.588 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)c1F ZINC000854427597 750306139 /nfs/dbraw/zinc/30/61/39/750306139.db2.gz ROBHRBXRJVFIBA-NEPJUHHUSA-N 0 3 353.369 2.880 20 5 FFBDHN COc1ccc([C@@H](NC(C)C)C(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000895798643 970965779 /nfs/dbraw/zinc/96/57/79/970965779.db2.gz IUFGBJKPBBKVRG-GOSISDBHSA-N 0 3 357.410 2.959 20 5 FFBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(C2CCCC2)[C@H](C)C1 ZINC001176155001 1013647537 /nfs/dbraw/zinc/64/75/37/1013647537.db2.gz TVZBNJJDKFURJY-HUUCEWRRSA-N 0 3 360.458 2.871 20 5 FFBDHN C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)CCN1Cc1ccccc1 ZINC000311652736 970097825 /nfs/dbraw/zinc/09/78/25/970097825.db2.gz UNZVYTPBQZCPSV-FZKQIMNGSA-N 0 3 354.410 2.570 20 5 FFBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000825764731 1013968183 /nfs/dbraw/zinc/96/81/83/1013968183.db2.gz MLPLVEUZPHUBGK-BETUJISGSA-N 0 3 366.437 2.793 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000875745067 1014070730 /nfs/dbraw/zinc/07/07/30/1014070730.db2.gz HRXTUZHZPANRSR-DLBZAZTESA-N 0 3 371.441 2.565 20 5 FFBDHN Cn1ccnc1[C@@H](NCCN1CCC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000898035090 982599656 /nfs/dbraw/zinc/59/96/56/982599656.db2.gz KPPDMGAVSNNLQS-KRWDZBQOSA-N 0 3 357.458 2.739 20 5 FFBDHN Nc1ccc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000030231921 982706554 /nfs/dbraw/zinc/70/65/54/982706554.db2.gz QCGRKWLUWXEPEF-QGZVFWFLSA-N 0 3 354.410 2.744 20 5 FFBDHN CC(C)(C)C(=O)NC[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154264337 990110842 /nfs/dbraw/zinc/11/08/42/990110842.db2.gz GBAXXMSLKISJGD-YOEHRIQHSA-N 0 3 363.458 2.503 20 5 FFBDHN CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)OCC(C)[N+](=O)[O-] ZINC000813106130 995624667 /nfs/dbraw/zinc/62/46/67/995624667.db2.gz YZXYGZOBWXMKRY-VYXJFRSESA-N 0 3 366.458 2.552 20 5 FFBDHN CC(COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)[N+](=O)[O-] ZINC000813113052 995625291 /nfs/dbraw/zinc/62/52/91/995625291.db2.gz AAOOGEOSZZQNJW-ZDUSSCGKSA-N 0 3 352.350 2.756 20 5 FFBDHN CC(COC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)[N+](=O)[O-] ZINC000813110567 995625367 /nfs/dbraw/zinc/62/53/67/995625367.db2.gz DOBIJOYZGWHFJC-WMLDXEAASA-N 0 3 356.378 2.756 20 5 FFBDHN CC(COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)[N+](=O)[O-] ZINC000813113051 995625857 /nfs/dbraw/zinc/62/58/57/995625857.db2.gz AAOOGEOSZZQNJW-CYBMUJFWSA-N 0 3 352.350 2.756 20 5 FFBDHN CCc1ccc([C@H](CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000823984565 996772232 /nfs/dbraw/zinc/77/22/32/996772232.db2.gz LKDFGDOSQNRXAB-RBUKOAKNSA-N 0 3 371.437 2.610 20 5 FFBDHN CC(C)[C@H](CN(C)C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000733168301 998905067 /nfs/dbraw/zinc/90/50/67/998905067.db2.gz SREUDDYHOBAJSM-SFHVURJKSA-N 0 3 365.477 2.857 20 5 FFBDHN Cc1cc(N2CCN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)n(-c2ccccc2)n1 ZINC001169038886 1000016914 /nfs/dbraw/zinc/01/69/14/1000016914.db2.gz LDMRZRZCQYGNNW-MJGOQNOKSA-N 0 3 369.469 2.748 20 5 FFBDHN CN(CC(=O)O[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000772661170 1001439745 /nfs/dbraw/zinc/43/97/45/1001439745.db2.gz TVIWPVZLARWRHU-QGZVFWFLSA-N 0 3 369.421 2.849 20 5 FFBDHN COc1ccc(C[C@H](C)N2CC[C@H](Oc3ncncc3C)C2)c([N+](=O)[O-])c1 ZINC001170355009 1003123180 /nfs/dbraw/zinc/12/31/80/1003123180.db2.gz UIAJYXLOWWALAS-YOEHRIQHSA-N 0 3 372.425 2.786 20 5 FFBDHN COc1ccc([C@@H]2CN(Cc3cc([N+](=O)[O-])ccc3OC)CCN2)cc1 ZINC001197050478 1004047268 /nfs/dbraw/zinc/04/72/68/1004047268.db2.gz BUAOCUBREVTEBO-SFHVURJKSA-N 0 3 357.410 2.759 20 5 FFBDHN CC[C@@H](C)NC(=O)c1cccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000776276620 1005342613 /nfs/dbraw/zinc/34/26/13/1005342613.db2.gz LDNHSPSLJXXJAL-KUHUBIRLSA-N 0 3 371.437 2.946 20 5 FFBDHN Cc1cc(F)cc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)c1[N+](=O)[O-] ZINC000851645371 1005902800 /nfs/dbraw/zinc/90/28/00/1005902800.db2.gz IVGIAMHNOXSEDE-INIZCTEOSA-N 0 3 359.357 2.956 20 5 FFBDHN C[C@H]1[C@H](OC(=O)CCn2cc([N+](=O)[O-])cn2)CCCN1Cc1ccccc1 ZINC000816468351 1007051351 /nfs/dbraw/zinc/05/13/51/1007051351.db2.gz FWSZBMFVKUVYBS-MAUKXSAKSA-N 0 3 372.425 2.778 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC001190569108 1007699256 /nfs/dbraw/zinc/69/92/56/1007699256.db2.gz NTAGHSLEECDBBF-HNNXBMFYSA-N 0 3 369.487 2.692 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCc2ccnc(OCC(F)(F)F)c2)cc1 ZINC000818955772 1007992935 /nfs/dbraw/zinc/99/29/35/1007992935.db2.gz DCRNNPSNTMRBQJ-AWEZNQCLSA-N 0 3 371.315 2.754 20 5 FFBDHN CCN(C)c1ccccc1CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000819033670 1008028032 /nfs/dbraw/zinc/02/80/32/1008028032.db2.gz QVQDMHNKJWSQHT-QGZVFWFLSA-N 0 3 359.426 2.580 20 5 FFBDHN O=C(NCCCN1CCc2ccccc2C1)c1cc([N+](=O)[O-])ccc1F ZINC000821468978 1008467882 /nfs/dbraw/zinc/46/78/82/1008467882.db2.gz FXYOUAPOOSVUEW-UHFFFAOYSA-N 0 3 357.385 2.912 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000137441399 1008610268 /nfs/dbraw/zinc/61/02/68/1008610268.db2.gz ACLZBQHOAQMMQK-XJKSGUPXSA-N 0 3 354.410 2.570 20 5 FFBDHN CC(C)(CCC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1)[N+](=O)[O-] ZINC000823204674 1008966523 /nfs/dbraw/zinc/96/65/23/1008966523.db2.gz KXQSIWKSDGWXCY-UHFFFAOYSA-N 0 3 369.506 2.752 20 5 FFBDHN Cc1cccc2c1C[C@@H](C(=O)OCC(C)[N+](=O)[O-])N2C(=O)OC(C)(C)C ZINC000860776267 1009147471 /nfs/dbraw/zinc/14/74/71/1009147471.db2.gz DDWWSIDGAWUMNX-WFASDCNBSA-N 0 3 364.398 2.870 20 5 FFBDHN NC(=O)[C@H]1CC[C@H](CNCc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC001178982316 1009214537 /nfs/dbraw/zinc/21/45/37/1009214537.db2.gz UUELPMQAHAVEFG-XYPYZODXSA-N 0 3 370.247 2.739 20 5 FFBDHN C[C@]1(NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CCN(Cc2ccccc2)C1 ZINC000823921526 1009283012 /nfs/dbraw/zinc/28/30/12/1009283012.db2.gz WQDGNGLQPKZSML-IBGZPJMESA-N 0 3 369.425 2.963 20 5 FFBDHN C[C@@H](N[C@H]1CCc2ccccc2OC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000509517369 1009528435 /nfs/dbraw/zinc/52/84/35/1009528435.db2.gz TXJBBQWGTJZWBO-HIFRSBDPSA-N 0 3 355.394 2.905 20 5 FFBDHN Cc1ccc(CNCc2ccc(CN3CCNC3=O)cc2)cc1[N+](=O)[O-] ZINC000865816791 1010868914 /nfs/dbraw/zinc/86/89/14/1010868914.db2.gz RMTJHEKOFRBXCM-UHFFFAOYSA-N 0 3 354.410 2.718 20 5 FFBDHN C[C@H]1[C@@H](N(C)C)CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000646474578 1011969098 /nfs/dbraw/zinc/96/90/98/1011969098.db2.gz YCKIENPYJSZBRC-YJBOKZPZSA-N 0 3 363.461 2.706 20 5 FFBDHN CCOC(=O)[C@H]1CN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCS1 ZINC001172911619 1012123601 /nfs/dbraw/zinc/12/36/01/1012123601.db2.gz DBFRKMKXRPOFFE-DOTOQJQBSA-N 0 3 364.467 2.823 20 5 FFBDHN CCn1ccc(CNC2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)n1 ZINC001173011683 1012181380 /nfs/dbraw/zinc/18/13/80/1012181380.db2.gz JGNJSZDSNJPZQJ-UHFFFAOYSA-N 0 3 365.384 2.848 20 5 FFBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2cccc(N)c2)CC1 ZINC001173237743 1012384559 /nfs/dbraw/zinc/38/45/59/1012384559.db2.gz LTGILNZIDUHLGS-MRXNPFEDSA-N 0 3 354.454 2.926 20 5 FFBDHN CC(C)c1ccc(C(=O)N2CCC(N3CCN(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000827439577 1018033099 /nfs/dbraw/zinc/03/30/99/1018033099.db2.gz GDSGYTXOACGXOC-UHFFFAOYSA-N 0 3 374.485 2.570 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)C1CC[C@@H](C(F)(F)F)NC1=O ZINC000778770144 1022346768 /nfs/dbraw/zinc/34/67/68/1022346768.db2.gz ACBUQVVVKAKZOG-NDMJEZRESA-N 0 3 374.315 2.965 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)CN1Cc1ccccc1 ZINC000188328664 1023056545 /nfs/dbraw/zinc/05/65/45/1023056545.db2.gz AJKOXLSZBHKRKE-DZGCQCFKSA-N 0 3 354.410 2.570 20 5 FFBDHN Cc1cc(F)cc(C(=O)NC[C@H](Cc2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000753080230 1023265020 /nfs/dbraw/zinc/26/50/20/1023265020.db2.gz FLBMMWVRGWEODY-INIZCTEOSA-N 0 3 359.401 2.945 20 5 FFBDHN O=[N+]([O-])c1ccc2c(ccnc2-n2nc(C(F)(F)F)c3c2CCNC3)c1 ZINC001154855053 1028485902 /nfs/dbraw/zinc/48/59/02/1028485902.db2.gz QJKDLPLGHPVEKB-UHFFFAOYSA-N 0 3 363.299 2.993 20 5 FFBDHN CSc1nc(Cl)nc(NC[C@@H]2Cc3ccccc3CN2)c1[N+](=O)[O-] ZINC001163274496 1028866925 /nfs/dbraw/zinc/86/69/25/1028866925.db2.gz SZHJDMUFIIZASG-NSHDSACASA-N 0 3 365.846 2.887 20 5 FFBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N(C)[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001165184847 1029439704 /nfs/dbraw/zinc/43/97/04/1029439704.db2.gz YXBPZAUIUWRLPA-HNAYVOBHSA-N 0 3 370.453 2.883 20 5 FFBDHN O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001165350421 1029954377 /nfs/dbraw/zinc/95/43/77/1029954377.db2.gz XHCQZTGUARBFAE-WDEREUQCSA-N 0 3 366.208 2.767 20 5 FFBDHN COCCN1CCC(Oc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC001226582683 1034746798 /nfs/dbraw/zinc/74/67/98/1034746798.db2.gz NZSJRFAJHXEZNP-UHFFFAOYSA-N 0 3 359.220 2.847 20 5 FFBDHN Cc1cc(Cc2nc(-c3ccc4c(n3)CCNC4)no2)ccc1[N+](=O)[O-] ZINC001248385228 1040251725 /nfs/dbraw/zinc/25/17/25/1040251725.db2.gz ZCYOVJHWGSONAF-UHFFFAOYSA-N 0 3 351.366 2.585 20 5 FFBDHN O=C1Nc2cc(Cl)ccc2C[C@@H]1N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581574 1040813942 /nfs/dbraw/zinc/81/39/42/1040813942.db2.gz OLLMVZPBJJOFHI-YOEHRIQHSA-N 0 3 357.797 2.868 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC3(C1)CCN(Cc1cccnc1)C3)C2 ZINC001254593918 1040822744 /nfs/dbraw/zinc/82/27/44/1040822744.db2.gz BTHJVZLWVHWAJN-HXUWFJFHSA-N 0 3 364.449 2.665 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCC(Oc3ncc(F)cn3)CC1)C2 ZINC001254606098 1040834731 /nfs/dbraw/zinc/83/47/31/1040834731.db2.gz DTVIFAZYVGPJBL-MRXNPFEDSA-N 0 3 358.373 2.535 20 5 FFBDHN O=C1OC2(CCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)c2cnccc21 ZINC001254606810 1040834838 /nfs/dbraw/zinc/83/48/38/1040834838.db2.gz HIEXKDSLVNUCTM-MRXNPFEDSA-N 0 3 365.389 2.619 20 5 FFBDHN C[C@H]1CN[C@@H](C)[C@H](C)N1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001263202345 1042168856 /nfs/dbraw/zinc/16/88/56/1042168856.db2.gz XKZKIJABCFUIPT-SRVKXCTJSA-N 0 3 360.439 2.929 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](NCCN2CCC(CO)CC2)c2ccccc2)c1 ZINC001319903182 1045298657 /nfs/dbraw/zinc/29/86/57/1045298657.db2.gz FITIBBPUQGCNOC-OAQYLSRUSA-N 0 3 369.465 2.978 20 5 FFBDHN COC[C@@H](NCc1ccc([N+](=O)[O-])cc1Br)C1CCOCC1 ZINC001327538332 1047939653 /nfs/dbraw/zinc/93/96/53/1047939653.db2.gz QKWWIYLKOUWPNU-OAHLLOKOSA-N 0 3 373.247 2.889 20 5 FFBDHN CN1CCOC[C@@H]1CNCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001331520334 1047982599 /nfs/dbraw/zinc/98/25/99/1047982599.db2.gz KRNKEEXLFJEQJH-ZDUSSCGKSA-N 0 3 365.817 2.928 20 5 FFBDHN CCN1C[C@H](C)N(c2nnc([C@H](C)[N+](=O)[O-])n2Cc2ccccc2)C[C@H]1C ZINC001342144906 1050739401 /nfs/dbraw/zinc/73/94/01/1050739401.db2.gz OVQZCUWABBTDJB-PMPSAXMXSA-N 0 3 372.473 2.583 20 5 FFBDHN C[C@@H]1CN[C@@H](C)[C@H](C)N1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001341145771 1051495962 /nfs/dbraw/zinc/49/59/62/1051495962.db2.gz RJLSLRGSABQCSK-WOPDTQHZSA-N 0 3 360.439 2.929 20 5 FFBDHN Cc1c(CN2C[C@H]3COC[C@@]3(C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC001307917503 1052366703 /nfs/dbraw/zinc/36/67/03/1052366703.db2.gz KJZVSBRSNILLLB-KXBFYZLASA-N 0 3 362.426 2.693 20 5 FFBDHN O=[N+]([O-])c1ccc(C(F)(F)F)cc1N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001346068356 1052731393 /nfs/dbraw/zinc/73/13/93/1052731393.db2.gz MPDVNYXPZIHNJX-CHWSQXEVSA-N 0 3 359.348 2.649 20 5 FFBDHN COc1ccc([C@H](CN(C)C)NC[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001335414554 1053347635 /nfs/dbraw/zinc/34/76/35/1053347635.db2.gz YUXPQRAPGUFFDG-OALUTQOASA-N 0 3 359.426 2.529 20 5 FFBDHN Cc1cc([C@@H](N)CC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc(Cl)n1 ZINC001349109870 1055100178 /nfs/dbraw/zinc/10/01/78/1055100178.db2.gz BTGSNAAPUKTYKS-HNNXBMFYSA-N 0 3 360.801 2.884 20 5 FFBDHN CCn1c([C@H](C)[N+](=O)[O-])nnc1N1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC001352452851 1055489676 /nfs/dbraw/zinc/48/96/76/1055489676.db2.gz LNRGNUHRTYRAJR-JYJNAYRXSA-N 0 3 372.473 2.735 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNC(c2cccs2)c2cccs2)c1 ZINC001356535652 1055562595 /nfs/dbraw/zinc/56/25/95/1055562595.db2.gz VAZQFVMUNKNOQV-GFCCVEGCSA-N 0 3 364.452 2.654 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)n1 ZINC001518643023 1058449192 /nfs/dbraw/zinc/44/91/92/1058449192.db2.gz PFGIARDXZYANQE-ZBFHGGJFSA-N 0 3 354.410 2.864 20 5 FFBDHN COc1ccc(OC(=O)C2CCN(Cc3ccccc3)C2=O)c([N+](=O)[O-])c1 ZINC001515433953 1059659191 /nfs/dbraw/zinc/65/91/91/1059659191.db2.gz WPVKGAQROCWBAG-HNNXBMFYSA-N 0 3 370.361 2.558 20 5 FFBDHN Cc1ccc(CN2CC[C@H](NC(=O)Cc3ccc(F)cc3[N+](=O)[O-])C2)cc1 ZINC001455009349 1059669651 /nfs/dbraw/zinc/66/96/51/1059669651.db2.gz MOHLCEAJHNMULN-SFHVURJKSA-N 0 3 371.412 2.976 20 5 FFBDHN CSc1nccnc1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC001515654889 1059733642 /nfs/dbraw/zinc/73/36/42/1059733642.db2.gz WEMRBIYGSZDODG-NOZJJQNGSA-N 0 3 351.359 2.901 20 5 FFBDHN O=[N+]([O-])c1cnc2ccccc2c1N1CCN[C@@H](c2ccc(O)cc2)C1 ZINC001458563791 1060624447 /nfs/dbraw/zinc/62/44/47/1060624447.db2.gz MCRZZWNEWDGBQK-QGZVFWFLSA-N 0 3 350.378 3.000 20 5 FFBDHN COc1cc([N+](=O)[O-])cnc1NC(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC001438799489 1063048194 /nfs/dbraw/zinc/04/81/94/1063048194.db2.gz KCEDTAXYKKXFGE-NXEZZACHSA-N 0 3 363.292 2.685 20 5 FFBDHN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001470781684 1064448604 /nfs/dbraw/zinc/44/86/04/1064448604.db2.gz XYPKRKSYSRHBEO-KUHUBIRLSA-N 0 3 368.437 2.817 20 5 FFBDHN CC1(C)CC(Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC001575640506 1078159684 /nfs/dbraw/zinc/15/96/84/1078159684.db2.gz HWMMVMUZEUMGHG-UHFFFAOYSA-N 0 3 363.397 2.635 20 5 FFBDHN CC1(C)CC(Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC001575640506 1078159686 /nfs/dbraw/zinc/15/96/86/1078159686.db2.gz HWMMVMUZEUMGHG-UHFFFAOYSA-N 0 3 363.397 2.635 20 5 FFBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)COc1ccc2cc[nH]c2c1 ZINC001473415885 1065259302 /nfs/dbraw/zinc/25/93/02/1065259302.db2.gz FWDCBPNGHIIWTE-GOSISDBHSA-N 0 3 369.421 2.990 20 5 FFBDHN O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccnc([C@@H]2CCCN2)n1 ZINC001580564445 1078827066 /nfs/dbraw/zinc/82/70/66/1078827066.db2.gz ASSFDDIIBVPOTH-NSHDSACASA-N 0 3 359.411 2.540 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)n1 ZINC001556897481 1075786978 /nfs/dbraw/zinc/78/69/78/1075786978.db2.gz LYDAPZQLQGEOOV-WMLDXEAASA-N 0 3 354.410 2.691 20 5 FFBDHN CCc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])cc(C)n2)N(C)C)cc1 ZINC001587436109 1079791541 /nfs/dbraw/zinc/79/15/41/1079791541.db2.gz HGPQSQLLGZLYGT-SFHVURJKSA-N 0 3 356.426 2.893 20 5 FFBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H](CC(C)C)N(C)C)cc1OC ZINC000042585446 249392737 /nfs/dbraw/zinc/39/27/37/249392737.db2.gz RICQUXLUQXLTRN-ZDUSSCGKSA-N 0 3 367.446 2.708 20 5 FFBDHN CN1CCO[C@@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000105471000 250214382 /nfs/dbraw/zinc/21/43/82/250214382.db2.gz PBKXVWVSEXRUNH-AWEZNQCLSA-N 0 3 365.817 2.928 20 5 FFBDHN C[C@@H]1C[C@H](N2CCCC2)CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000285704534 257000538 /nfs/dbraw/zinc/00/05/38/257000538.db2.gz WCMFPMPFWJWKCZ-CJNGLKHVSA-N 0 3 357.414 2.703 20 5 FFBDHN COCc1cc([N+](=O)[O-])ccc1NCc1ccccc1CN1CC[C@H](O)C1 ZINC000181144203 251248620 /nfs/dbraw/zinc/24/86/20/251248620.db2.gz YUVIOUJOIVICFJ-IBGZPJMESA-N 0 3 371.437 2.920 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](CCO)c1ccccc1 ZINC000271765765 251871278 /nfs/dbraw/zinc/87/12/78/251871278.db2.gz NCFXGXYGRKIVBN-GOSISDBHSA-N 0 3 357.410 2.945 20 5 FFBDHN CN1CC[C@@H]2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)[C@H]2C1 ZINC000272496057 252052514 /nfs/dbraw/zinc/05/25/14/252052514.db2.gz VCVCVOZYXSYEMY-MFKMUULPSA-N 0 3 370.356 2.754 20 5 FFBDHN C[C@H]1CCCN(CCN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272576464 252072698 /nfs/dbraw/zinc/07/26/98/252072698.db2.gz XGPLEQZJHZAMMJ-YJBOKZPZSA-N 0 3 357.458 2.739 20 5 FFBDHN C[C@@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C1=CCN(C)CC1 ZINC000272882173 252155208 /nfs/dbraw/zinc/15/52/08/252155208.db2.gz YDIPADWPIFCUCK-OAHLLOKOSA-N 0 3 360.458 2.867 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](CO)c1ccc(F)cc1 ZINC000273079826 252209885 /nfs/dbraw/zinc/20/98/85/252209885.db2.gz HFAHNOXCFLVDJZ-QGZVFWFLSA-N 0 3 361.373 2.694 20 5 FFBDHN CN(C)CCc1ccccc1NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000275770057 256046646 /nfs/dbraw/zinc/04/66/46/256046646.db2.gz DIOAAUXMUDLBMT-UHFFFAOYSA-N 0 3 371.393 2.529 20 5 FFBDHN CS[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@H]1N1CCCC1 ZINC000275825016 256052131 /nfs/dbraw/zinc/05/21/31/256052131.db2.gz RQXQJBVESNWDSI-CABCVRRESA-N 0 3 368.434 2.777 20 5 FFBDHN CCOc1cc(CN2CCC[C@@H](C3(C)OCCO3)C2)ccc1[N+](=O)[O-] ZINC000276894235 256140118 /nfs/dbraw/zinc/14/01/18/256140118.db2.gz KSKIMKVPWLCIDE-OAHLLOKOSA-N 0 3 350.415 2.969 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000277381725 256191800 /nfs/dbraw/zinc/19/18/00/256191800.db2.gz WJJUKNHJBWLWDU-BXKDBHETSA-N 0 3 368.231 2.570 20 5 FFBDHN Cc1c(NC(=O)NCCCN2CCCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000277517006 256206658 /nfs/dbraw/zinc/20/66/58/256206658.db2.gz OZGHORLHGTUGQZ-CYBMUJFWSA-N 0 3 350.419 2.526 20 5 FFBDHN COC[C@@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCCO1 ZINC000279092580 256380848 /nfs/dbraw/zinc/38/08/48/256380848.db2.gz PNEDYPUYBIQMHM-CVEARBPZSA-N 0 3 361.398 2.576 20 5 FFBDHN O=[N+]([O-])c1ccn(CCN[C@@H](CCO)c2ccc(Cl)c(Cl)c2)n1 ZINC000285390187 256982739 /nfs/dbraw/zinc/98/27/39/256982739.db2.gz BWMRGVUWYIRXOV-ZDUSSCGKSA-N 0 3 359.213 2.811 20 5 FFBDHN CCS[C@H]1CCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000286009293 257015959 /nfs/dbraw/zinc/01/59/59/257015959.db2.gz GVCSRIQPRUCGOW-ZFWWWQNUSA-N 0 3 353.444 2.806 20 5 FFBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000286619233 257046087 /nfs/dbraw/zinc/04/60/87/257046087.db2.gz AHNRLQKIWOWTRO-RDJZCZTQSA-N 0 3 372.469 2.894 20 5 FFBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1ncc(Br)cc1[N+](=O)[O-] ZINC000286403412 257035252 /nfs/dbraw/zinc/03/52/52/257035252.db2.gz PTOSQGLOOPKFLK-ZYHUDNBSSA-N 0 3 355.236 2.815 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCc2occc2C1 ZINC000288970037 257242775 /nfs/dbraw/zinc/24/27/75/257242775.db2.gz YPGDWHKNDPMPJO-UHFFFAOYSA-N 0 3 359.382 2.973 20 5 FFBDHN C[C@H]1C[C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000290829212 257359919 /nfs/dbraw/zinc/35/99/19/257359919.db2.gz UIQJRQGIXLMTJB-ZFWWWQNUSA-N 0 3 369.425 2.554 20 5 FFBDHN C[C@@H](NCc1cccc(N2CCOCC2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293665072 257556432 /nfs/dbraw/zinc/55/64/32/257556432.db2.gz IYLUUCIJQAKYJY-CQSZACIVSA-N 0 3 356.426 2.864 20 5 FFBDHN C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCN(C2CC2)C1 ZINC000295510351 257635784 /nfs/dbraw/zinc/63/57/84/257635784.db2.gz HMOHSEWKQWIZRT-GFCCVEGCSA-N 0 3 351.834 2.733 20 5 FFBDHN O=C(CCN1CCC(c2ccncn2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000298443274 257912889 /nfs/dbraw/zinc/91/28/89/257912889.db2.gz QRMQHZNADPVUAN-UHFFFAOYSA-N 0 3 373.388 2.732 20 5 FFBDHN Cc1ccc(N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000302444190 258101800 /nfs/dbraw/zinc/10/18/00/258101800.db2.gz NRLLIHYEELDBAK-HXUWFJFHSA-N 0 3 355.438 2.976 20 5 FFBDHN Cc1cc(N2CCN(CC(C)(C)O)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302512897 258104741 /nfs/dbraw/zinc/10/47/41/258104741.db2.gz TZMZQNRNCAMXAU-AWEZNQCLSA-N 0 3 358.442 2.733 20 5 FFBDHN Cc1c(NC(=O)CCN2CC[C@@H](C(C)(C)C)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000330703347 258168741 /nfs/dbraw/zinc/16/87/41/258168741.db2.gz JBJJVTWLFBESQT-RHSMWYFYSA-N 0 3 363.458 2.961 20 5 FFBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000065931798 506397775 /nfs/dbraw/zinc/39/77/75/506397775.db2.gz GZSDIGMCXKOMLF-UHFFFAOYSA-N 0 3 359.401 2.867 20 5 FFBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000065939080 506399314 /nfs/dbraw/zinc/39/93/14/506399314.db2.gz GZXNQTRDHSMHCD-UHFFFAOYSA-N 0 3 351.403 2.999 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000043126911 506703525 /nfs/dbraw/zinc/70/35/25/506703525.db2.gz LZECXJHVZRHHQF-OAHLLOKOSA-N 0 3 370.409 2.999 20 5 FFBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000055402216 506743929 /nfs/dbraw/zinc/74/39/29/506743929.db2.gz XWTVORWYCAUNKQ-HUUCEWRRSA-N 0 3 371.441 2.631 20 5 FFBDHN O=C(NC1CC1)c1ccc(N2CCN(C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000045026704 506908036 /nfs/dbraw/zinc/90/80/36/506908036.db2.gz AOPYHNUDHBFADV-UHFFFAOYSA-N 0 3 358.442 2.552 20 5 FFBDHN CN(CCCNC(=O)NCc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000045126155 506921087 /nfs/dbraw/zinc/92/10/87/506921087.db2.gz XUVDIEZKXYAWGO-UHFFFAOYSA-N 0 3 356.426 2.916 20 5 FFBDHN C[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC[C@@H]1N1CCN(C)CC1 ZINC000367059540 512318900 /nfs/dbraw/zinc/31/89/00/512318900.db2.gz HMNONCYQLPPMAW-BEFAXECRSA-N 0 3 369.469 2.605 20 5 FFBDHN CCOc1ccc([C@@H](C)N[C@@H]2CCN(c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000371313971 512323833 /nfs/dbraw/zinc/32/38/33/512323833.db2.gz PJYIRYOAXSKZCH-UKRRQHHQSA-N 0 3 359.430 2.657 20 5 FFBDHN CC1(C)NC(=O)CC[C@@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000425439812 513567560 /nfs/dbraw/zinc/56/75/60/513567560.db2.gz CRZPWNFOCHOAFO-LBPRGKRZSA-N 0 3 356.220 2.504 20 5 FFBDHN COC[C@](C)(O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000069912670 507582090 /nfs/dbraw/zinc/58/20/90/507582090.db2.gz IKYBZMDPDJXHAJ-MRXNPFEDSA-N 0 3 354.790 2.995 20 5 FFBDHN COc1ccc(C(=O)NC[C@H](Cc2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000027583120 507668440 /nfs/dbraw/zinc/66/84/40/507668440.db2.gz WYPRNKCGNJBVFJ-INIZCTEOSA-N 0 3 357.410 2.506 20 5 FFBDHN CCC[C@H](C)NC(=O)[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000051049558 507727189 /nfs/dbraw/zinc/72/71/89/507727189.db2.gz NQLVPFXVEBTJCG-JKSUJKDBSA-N 0 3 363.458 2.990 20 5 FFBDHN COCc1cc([N+](=O)[O-])ccc1NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000089644391 507853237 /nfs/dbraw/zinc/85/32/37/507853237.db2.gz IQSAFIQKFWUUFE-RTBURBONSA-N 0 3 371.437 2.789 20 5 FFBDHN COc1cc(CN(C)CCN2CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000089898566 507880667 /nfs/dbraw/zinc/88/06/67/507880667.db2.gz WQEQNUVFBMQISR-UHFFFAOYSA-N 0 3 359.373 2.732 20 5 FFBDHN O=[N+]([O-])c1ccccc1OCCN(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000089952932 507889946 /nfs/dbraw/zinc/88/99/46/507889946.db2.gz XNJRZFVBNBUUJQ-HUUCEWRRSA-N 0 3 352.456 2.960 20 5 FFBDHN O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000108450484 507895080 /nfs/dbraw/zinc/89/50/80/507895080.db2.gz IUXQGLKPPFZNPP-UHFFFAOYSA-N 0 3 356.382 2.586 20 5 FFBDHN CCN(CC)CCN(CC(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000078737053 507903071 /nfs/dbraw/zinc/90/30/71/507903071.db2.gz YSHXRIMLWJLMLF-UHFFFAOYSA-N 0 3 371.503 2.892 20 5 FFBDHN CCN(CC)[C@@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])c1ccco1 ZINC000078878198 507914343 /nfs/dbraw/zinc/91/43/43/507914343.db2.gz TXHAMFVSYLTFBY-INIZCTEOSA-N 0 3 371.397 2.919 20 5 FFBDHN Cc1cccc(C(=O)NCC2(N3CCCCC3)CCOCC2)c1[N+](=O)[O-] ZINC000109981353 507999464 /nfs/dbraw/zinc/99/94/64/507999464.db2.gz ABVKZONNRPRJCZ-UHFFFAOYSA-N 0 3 361.442 2.668 20 5 FFBDHN CN(C)CCN(C(=O)CN(C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000079809633 508003201 /nfs/dbraw/zinc/00/32/01/508003201.db2.gz UCDFVOBXHWUHGC-UHFFFAOYSA-N 0 3 356.426 2.626 20 5 FFBDHN O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1CN1CCCCC1 ZINC000080491307 508078574 /nfs/dbraw/zinc/07/85/74/508078574.db2.gz UXSBUFSZKKKPIE-QGZVFWFLSA-N 0 3 360.458 2.797 20 5 FFBDHN C[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000111480059 508103147 /nfs/dbraw/zinc/10/31/47/508103147.db2.gz ZMILJPGJYZMGOK-OAHLLOKOSA-N 0 3 356.426 2.915 20 5 FFBDHN CC(C)OCCN1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000083063838 508235751 /nfs/dbraw/zinc/23/57/51/508235751.db2.gz QAQDGQAMBKULPR-UHFFFAOYSA-N 0 3 350.419 2.606 20 5 FFBDHN CN(CCNc1ccc(I)cc1[N+](=O)[O-])C1CC1 ZINC000083420441 508245388 /nfs/dbraw/zinc/24/53/88/508245388.db2.gz UATZWQUEUOPIFY-UHFFFAOYSA-N 0 3 361.183 2.706 20 5 FFBDHN CCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000077321866 508300467 /nfs/dbraw/zinc/30/04/67/508300467.db2.gz HVSACGIIUOEUJR-UAGQMJEPSA-N 0 3 361.442 2.719 20 5 FFBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000085407156 508307291 /nfs/dbraw/zinc/30/72/91/508307291.db2.gz NEDLHSYWAYDNOL-QAPCUYQASA-N 0 3 362.474 2.899 20 5 FFBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000115444069 508394745 /nfs/dbraw/zinc/39/47/45/508394745.db2.gz GXQUQTCIROWGJU-OAHLLOKOSA-N 0 3 360.458 2.609 20 5 FFBDHN CCOc1ccc([C@@H](C)NC[C@@H](C)N2CCN(CC)CC2)cc1[N+](=O)[O-] ZINC000152908771 508530355 /nfs/dbraw/zinc/53/03/55/508530355.db2.gz WAMAQRXXSDLIOY-HZPDHXFCSA-N 0 3 364.490 2.670 20 5 FFBDHN CCOc1ccc([C@H](C)NC[C@H]2CCCN2CCOC)cc1[N+](=O)[O-] ZINC000153554002 508596394 /nfs/dbraw/zinc/59/63/94/508596394.db2.gz YVEAPJWMEWWIOJ-GOEBONIOSA-N 0 3 351.447 2.755 20 5 FFBDHN COc1ccc(NC(=O)CCN(C)CCc2nccs2)c([N+](=O)[O-])c1 ZINC000157792324 508612432 /nfs/dbraw/zinc/61/24/32/508612432.db2.gz WPVUEUSVGHNRFI-UHFFFAOYSA-N 0 3 364.427 2.563 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CN1C1CC1 ZINC000123435679 508686946 /nfs/dbraw/zinc/68/69/46/508686946.db2.gz DCBZCEJZKQHZFA-HIFRSBDPSA-N 0 3 358.442 2.894 20 5 FFBDHN COc1cc(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000137476620 508757072 /nfs/dbraw/zinc/75/70/72/508757072.db2.gz WLSZNRQAIHCRDW-WMLDXEAASA-N 0 3 369.421 2.996 20 5 FFBDHN O=C(CCN[C@@H](CCO)c1ccccc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129729647 508759666 /nfs/dbraw/zinc/75/96/66/508759666.db2.gz PBSAGKDUEQOJLB-INIZCTEOSA-N 0 3 361.373 2.776 20 5 FFBDHN Cc1ccccc1[C@@H](C)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000159228569 508810327 /nfs/dbraw/zinc/81/03/27/508810327.db2.gz LGFWWPYDUGOHIJ-CQSZACIVSA-N 0 3 363.439 2.532 20 5 FFBDHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000154708851 508838970 /nfs/dbraw/zinc/83/89/70/508838970.db2.gz IWHQMOZHCVMGQU-MRXNPFEDSA-N 0 3 371.441 2.521 20 5 FFBDHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000154708851 508838973 /nfs/dbraw/zinc/83/89/73/508838973.db2.gz IWHQMOZHCVMGQU-MRXNPFEDSA-N 0 3 371.441 2.521 20 5 FFBDHN COc1ccc(-c2ccc(CN3C[C@@H](C(N)=O)CC[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000159603986 508864555 /nfs/dbraw/zinc/86/45/55/508864555.db2.gz KTFZZGLSCLWPBM-OLZOCXBDSA-N 0 3 373.409 2.949 20 5 FFBDHN CCCCN1CCC(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000119968002 508900438 /nfs/dbraw/zinc/90/04/38/508900438.db2.gz YHBQSCJNWXURRJ-UHFFFAOYSA-N 0 3 369.487 2.754 20 5 FFBDHN Cc1c(NC(=O)CCN(C)CCC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000150957097 508931015 /nfs/dbraw/zinc/93/10/15/508931015.db2.gz FTRLGRWVLQJFEI-UHFFFAOYSA-N 0 3 365.430 2.895 20 5 FFBDHN CCN1CCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000151627905 509055638 /nfs/dbraw/zinc/05/56/38/509055638.db2.gz HDZZCZGKLGPFOO-ZDUSSCGKSA-N 0 3 370.247 2.500 20 5 FFBDHN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCN(c2ccncc2)CC1 ZINC000120994436 509105090 /nfs/dbraw/zinc/10/50/90/509105090.db2.gz CKBDCANZRDLSGZ-UHFFFAOYSA-N 0 3 363.377 2.500 20 5 FFBDHN CN(C)CCOc1cccc(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])c1 ZINC000133074877 509113055 /nfs/dbraw/zinc/11/30/55/509113055.db2.gz GDDKIIJBQNHWLZ-UHFFFAOYSA-N 0 3 361.373 2.604 20 5 FFBDHN CC(C)N(CCN(C)C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000151980916 509123343 /nfs/dbraw/zinc/12/33/43/509123343.db2.gz ZFHVPQZNUQULIZ-UHFFFAOYSA-N 0 3 357.838 2.816 20 5 FFBDHN CN1CC[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000247915503 509190748 /nfs/dbraw/zinc/19/07/48/509190748.db2.gz AXLFVZDXEIDHHF-HNAYVOBHSA-N 0 3 355.394 2.535 20 5 FFBDHN CN(C)[C@@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000191887552 509231325 /nfs/dbraw/zinc/23/13/25/509231325.db2.gz FEMCKNMCEXPTRP-KRWDZBQOSA-N 0 3 369.487 2.525 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCC2(N3CCSCC3)CCCC2)c1 ZINC000172791939 509237945 /nfs/dbraw/zinc/23/79/45/509237945.db2.gz PXMIMTBLQRNKQM-UHFFFAOYSA-N 0 3 363.483 2.995 20 5 FFBDHN COc1cccc(CN(CCN(C)C)C(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000191954981 509262378 /nfs/dbraw/zinc/26/23/78/509262378.db2.gz ASDUYHBDYLAOBP-UHFFFAOYSA-N 0 3 357.410 2.807 20 5 FFBDHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182670291 509361309 /nfs/dbraw/zinc/36/13/09/509361309.db2.gz FGMUGXDMKMFWSV-DGCLKSJQSA-N 0 3 369.368 2.895 20 5 FFBDHN O=[N+]([O-])c1ccn(CCN2CCC([C@H](O)c3ccc(Cl)cc3)CC2)n1 ZINC000176237907 509396041 /nfs/dbraw/zinc/39/60/41/509396041.db2.gz UKUDNWKPYDWIAN-QGZVFWFLSA-N 0 3 364.833 2.890 20 5 FFBDHN CCN(CC)CCC[C@@H](C)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000179561876 509513391 /nfs/dbraw/zinc/51/33/91/509513391.db2.gz ROHJNDVYZHUGIZ-LLVKDONJSA-N 0 3 363.505 2.982 20 5 FFBDHN O=C(c1cc(N2CC[C@H](N3CCCCC3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000264538226 509587301 /nfs/dbraw/zinc/58/73/01/509587301.db2.gz AFGNRCFJRKGMLV-KRWDZBQOSA-N 0 3 372.469 2.895 20 5 FFBDHN CN1CCC(N(Cc2ccco2)C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000176656457 509628127 /nfs/dbraw/zinc/62/81/27/509628127.db2.gz GHMIAJODPZUTAZ-UHFFFAOYSA-N 0 3 358.398 2.507 20 5 FFBDHN CC(C)C[C@H]1OCCC[C@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000186305217 509635136 /nfs/dbraw/zinc/63/51/36/509635136.db2.gz AZVFUDNDGRVGHU-SJLPKXTDSA-N 0 3 361.442 2.667 20 5 FFBDHN CC(C)(C)OC(=O)NC[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000170647280 509696929 /nfs/dbraw/zinc/69/69/29/509696929.db2.gz YEKQDMSPDQAGDY-CQSZACIVSA-N 0 3 365.430 2.820 20 5 FFBDHN CC(C)c1ccc(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000189713843 509716004 /nfs/dbraw/zinc/71/60/04/509716004.db2.gz OVWVNQJAUKPQKA-INIZCTEOSA-N 0 3 363.458 2.901 20 5 FFBDHN CCOC[C@H](N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000189810972 509764706 /nfs/dbraw/zinc/76/47/06/509764706.db2.gz PBVSFEWDSBTULO-WFASDCNBSA-N 0 3 353.419 2.581 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)C1CCCC1 ZINC000177140081 509896378 /nfs/dbraw/zinc/89/63/78/509896378.db2.gz IURBGQINLDBLSQ-UHFFFAOYSA-N 0 3 350.419 2.942 20 5 FFBDHN COc1cccc(COC[C@H](O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180420021 509916227 /nfs/dbraw/zinc/91/62/27/509916227.db2.gz YCCADIWHYKVOKR-RDTXWAMCSA-N 0 3 360.410 2.832 20 5 FFBDHN COc1ccccc1COC[C@@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180443914 509927445 /nfs/dbraw/zinc/92/74/45/509927445.db2.gz BYEORHPZPONILD-KSSFIOAISA-N 0 3 360.410 2.832 20 5 FFBDHN Cc1nc([C@@H]2CCCN([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n[nH]1 ZINC000268484169 509961365 /nfs/dbraw/zinc/96/13/65/509961365.db2.gz ONVYRMQONXAACW-TZMCWYRMSA-N 0 3 372.429 2.536 20 5 FFBDHN Cc1n[nH]c([C@@H]2CCCN([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000268484169 509961375 /nfs/dbraw/zinc/96/13/75/509961375.db2.gz ONVYRMQONXAACW-TZMCWYRMSA-N 0 3 372.429 2.536 20 5 FFBDHN Cc1nnc([C@@H]2CCCN([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)[nH]1 ZINC000268484169 509961383 /nfs/dbraw/zinc/96/13/83/509961383.db2.gz ONVYRMQONXAACW-TZMCWYRMSA-N 0 3 372.429 2.536 20 5 FFBDHN C[C@@H]1CCCN(CCNC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000180531294 509968907 /nfs/dbraw/zinc/96/89/07/509968907.db2.gz AMKFTGFBTZPLDF-LLVKDONJSA-N 0 3 370.247 2.819 20 5 FFBDHN CCN(CC)[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccccc1 ZINC000180620073 510018058 /nfs/dbraw/zinc/01/80/58/510018058.db2.gz GAMDWUGPGQYKIT-KRWDZBQOSA-N 0 3 356.426 2.990 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000193835661 510093867 /nfs/dbraw/zinc/09/38/67/510093867.db2.gz TWWVDHLHWFSFHS-INIZCTEOSA-N 0 3 369.421 2.855 20 5 FFBDHN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245779947 510143783 /nfs/dbraw/zinc/14/37/83/510143783.db2.gz ZWGOUKXEPLBBLX-TZMCWYRMSA-N 0 3 367.475 2.734 20 5 FFBDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184316373 510256955 /nfs/dbraw/zinc/25/69/55/510256955.db2.gz RFRIHTCMEJNXIT-UHFFFAOYSA-N 0 3 360.389 2.520 20 5 FFBDHN CCN(CC)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)c1ccccc1 ZINC000178157789 510463592 /nfs/dbraw/zinc/46/35/92/510463592.db2.gz JNZIOACBHUIBGH-QGZVFWFLSA-N 0 3 356.426 2.990 20 5 FFBDHN Cc1cnc(NCc2ccccc2CN2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000266217551 510466996 /nfs/dbraw/zinc/46/69/96/510466996.db2.gz PLZJDGDYBKEQQR-UHFFFAOYSA-N 0 3 356.426 2.867 20 5 FFBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000184812413 510527546 /nfs/dbraw/zinc/52/75/46/510527546.db2.gz AVFXJMBCOLPTEU-JQWIXIFHSA-N 0 3 370.247 2.770 20 5 FFBDHN CCc1n[nH]c(C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000172130820 510558534 /nfs/dbraw/zinc/55/85/34/510558534.db2.gz PSTUMHXZNZJKMP-CYBMUJFWSA-N 0 3 371.441 2.836 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(c2ccncc2)CC1 ZINC000191673516 510782345 /nfs/dbraw/zinc/78/23/45/510782345.db2.gz APUOMRKBZSDQDK-KRWDZBQOSA-N 0 3 357.410 2.609 20 5 FFBDHN O=[N+]([O-])c1ccc(CN2CCN(CC3CCOCC3)CC2)c(Cl)c1 ZINC000182180525 510798197 /nfs/dbraw/zinc/79/81/97/510798197.db2.gz KFFZZWXPEIULME-UHFFFAOYSA-N 0 3 353.850 2.792 20 5 FFBDHN C[C@H]1CN(CC2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000263839678 510852326 /nfs/dbraw/zinc/85/23/26/510852326.db2.gz VRIYENHCXLYMJP-STQMWFEESA-N 0 3 367.471 2.618 20 5 FFBDHN CN1CCC[C@@]2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000294084669 510950421 /nfs/dbraw/zinc/95/04/21/510950421.db2.gz JVSQXERGWUWWEU-QGZVFWFLSA-N 0 3 351.834 2.735 20 5 FFBDHN CC(C)c1ccc(C(=O)NC2CCN([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000364755290 511062975 /nfs/dbraw/zinc/06/29/75/511062975.db2.gz NYTFDYPDCGXYEF-INIZCTEOSA-N 0 3 361.442 2.701 20 5 FFBDHN CC(=O)c1ccc(N2CCC(C)(CN3CCN(C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000364947580 511170489 /nfs/dbraw/zinc/17/04/89/511170489.db2.gz VUJBXDQUIGTHEB-UHFFFAOYSA-N 0 3 374.485 2.651 20 5 FFBDHN COc1ccc(CN[C@@H]2CCN(C(=O)Nc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000282992153 511191903 /nfs/dbraw/zinc/19/19/03/511191903.db2.gz NASRDCPSKDDXGQ-MRXNPFEDSA-N 0 3 370.409 2.999 20 5 FFBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](CO)c1cnn(C)c1 ZINC000271426849 511200823 /nfs/dbraw/zinc/20/08/23/511200823.db2.gz CRBLUPUHXXYTOA-KBPBESRZSA-N 0 3 350.444 2.522 20 5 FFBDHN CCc1n[nH]c(C(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000283052126 511215205 /nfs/dbraw/zinc/21/52/05/511215205.db2.gz VXNCIIMQKDUREH-CYBMUJFWSA-N 0 3 365.821 2.566 20 5 FFBDHN CC(C)N1CCN(C2CCN(Cc3ccc([N+](=O)[O-])c(F)c3)CC2)CC1 ZINC000283148427 511254944 /nfs/dbraw/zinc/25/49/44/511254944.db2.gz OJUWCSHXOWPILB-UHFFFAOYSA-N 0 3 364.465 2.724 20 5 FFBDHN C[C@H]1CN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000291616624 511269473 /nfs/dbraw/zinc/26/94/73/511269473.db2.gz AJXJMKCIKOYVFY-CQSZACIVSA-N 0 3 372.469 2.798 20 5 FFBDHN COc1cc(CN[C@H]2CCOC2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000295162782 511305450 /nfs/dbraw/zinc/30/54/50/511305450.db2.gz FMDVBKHBWTYRJO-AWEZNQCLSA-N 0 3 360.357 2.904 20 5 FFBDHN COc1cccc(COC[C@@H](O)CN[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000271813129 511334106 /nfs/dbraw/zinc/33/41/06/511334106.db2.gz YQSNUYSNSPDLCR-HOCLYGCPSA-N 0 3 360.410 2.832 20 5 FFBDHN C[C@H](N[C@@H]1CCN(c2ccccc2C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000363175183 511397779 /nfs/dbraw/zinc/39/77/79/511397779.db2.gz PAXYNDMRKQQFJV-DZGCQCFKSA-N 0 3 354.410 2.623 20 5 FFBDHN CC[C@H](C)N1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000295995922 511582556 /nfs/dbraw/zinc/58/25/56/511582556.db2.gz KILACDIRDPMJGT-STQMWFEESA-N 0 3 368.865 2.991 20 5 FFBDHN CN(C)CCOc1cc(-c2noc(Cc3cccc([N+](=O)[O-])c3)n2)ccn1 ZINC000273889726 511645480 /nfs/dbraw/zinc/64/54/80/511645480.db2.gz JAVHONQODUEKKN-UHFFFAOYSA-N 0 3 369.381 2.571 20 5 FFBDHN CN1CC[C@@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000284360806 511696986 /nfs/dbraw/zinc/69/69/86/511696986.db2.gz SVBKZABFYABFFC-APWZRJJASA-N 0 3 354.410 2.568 20 5 FFBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N=c1ccn(C2CCN(C)CC2)[nH]1 ZINC000365889826 511711706 /nfs/dbraw/zinc/71/17/06/511711706.db2.gz YWFIPGXPSKFYNH-BUHFOSPRSA-N 0 3 369.425 2.522 20 5 FFBDHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296409036 511732023 /nfs/dbraw/zinc/73/20/23/511732023.db2.gz UHUOLXWVMOWHSJ-DLBZAZTESA-N 0 3 350.802 2.947 20 5 FFBDHN CN(C)Cc1cccc(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000365989038 511767753 /nfs/dbraw/zinc/76/77/53/511767753.db2.gz RBFAPWWTOYYZNY-UHFFFAOYSA-N 0 3 372.429 2.722 20 5 FFBDHN CC(C)(CN1CCOCC1)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000308636180 511768402 /nfs/dbraw/zinc/76/84/02/511768402.db2.gz KSLVOOPIJUUQAA-UHFFFAOYSA-N 0 3 372.263 2.558 20 5 FFBDHN CC(C)[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1(CO)CCC1 ZINC000292998648 511800615 /nfs/dbraw/zinc/80/06/15/511800615.db2.gz IVTNHBJFBIXTRT-INIZCTEOSA-N 0 3 369.849 2.964 20 5 FFBDHN CN1CCO[C@H]2CCN(Cc3cc(=O)oc4ccc5ccccc5c34)C[C@H]21 ZINC000284797594 511873685 /nfs/dbraw/zinc/87/36/85/511873685.db2.gz OITJSTREGISUNN-MOPGFXCFSA-N 0 3 364.445 2.851 20 5 FFBDHN CCCc1n[nH]c(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000274615572 511889199 /nfs/dbraw/zinc/88/91/99/511889199.db2.gz YHCDFFIQYUFSTD-MLGOLLRUSA-N 0 3 359.430 2.692 20 5 FFBDHN CS[C@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@H]1N1CCCC1 ZINC000275126071 512048999 /nfs/dbraw/zinc/04/89/99/512048999.db2.gz NRUAKJUYZSVCEE-CVEARBPZSA-N 0 3 374.466 2.728 20 5 FFBDHN CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1N1CCCC1 ZINC000275140706 512053500 /nfs/dbraw/zinc/05/35/00/512053500.db2.gz PYEZSKKXAPKDTC-GJZGRUSLSA-N 0 3 369.874 2.900 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000364404779 512106838 /nfs/dbraw/zinc/10/68/38/512106838.db2.gz PCFCPYZMRVSISL-PBHICJAKSA-N 0 3 354.410 2.630 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@H]3CN(C)CC[C@H]32)c1 ZINC000373942517 512584141 /nfs/dbraw/zinc/58/41/41/512584141.db2.gz HBGFQVZRSKPCQY-JKSUJKDBSA-N 0 3 361.442 2.615 20 5 FFBDHN C[C@H]1[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CCN1Cc1ccccc1 ZINC000382009669 512876571 /nfs/dbraw/zinc/87/65/71/512876571.db2.gz MTXQVNILKBBGJS-XJKSGUPXSA-N 0 3 354.410 2.570 20 5 FFBDHN CNc1ccc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000389952307 512903275 /nfs/dbraw/zinc/90/32/75/512903275.db2.gz SNMINEUWGIKXND-KSSFIOAISA-N 0 3 368.437 2.887 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000374593394 512906799 /nfs/dbraw/zinc/90/67/99/512906799.db2.gz JFTIWHXXQIGPAW-MBOZVWFJSA-N 0 3 372.421 2.702 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(CC(=O)NCCN2[C@@H](C)CCC[C@@H]2C)c1F ZINC000412055237 512934755 /nfs/dbraw/zinc/93/47/55/512934755.db2.gz OIROXQMASBYIAV-STQMWFEESA-N 0 3 367.421 2.664 20 5 FFBDHN CC(C)N(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H]1CCC(=O)N1 ZINC000412064307 512939701 /nfs/dbraw/zinc/93/97/01/512939701.db2.gz CBQBTSHJSWVTCY-HNNXBMFYSA-N 0 3 372.425 2.781 20 5 FFBDHN CN(C)C[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000370502348 512967193 /nfs/dbraw/zinc/96/71/93/512967193.db2.gz CTEGGBHJZKKCLC-KRWDZBQOSA-N 0 3 369.421 2.883 20 5 FFBDHN COc1cc(OCCN(C)C)ccc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000412565795 513165954 /nfs/dbraw/zinc/16/59/54/513165954.db2.gz SAHBKRYOFZUAFK-UHFFFAOYSA-N 0 3 373.409 2.725 20 5 FFBDHN CCOC1(C)CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000428748536 513181507 /nfs/dbraw/zinc/18/15/07/513181507.db2.gz GIDNKFSWNLCETE-UHFFFAOYSA-N 0 3 363.414 2.784 20 5 FFBDHN COC(=O)[C@@]1(c2ccccc2)CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000428811577 513198265 /nfs/dbraw/zinc/19/82/65/513198265.db2.gz JOUFLYILCDWNMP-FQEVSTJZSA-N 0 3 370.405 2.790 20 5 FFBDHN C[C@@H]1C[C@@H]1N1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H](C)C1 ZINC000428992583 513243119 /nfs/dbraw/zinc/24/31/19/513243119.db2.gz BHAUZZYUBWEZOP-CPUCHLNUSA-N 0 3 371.441 2.807 20 5 FFBDHN CCc1ccccc1[C@@H](N)CNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000415436509 513261391 /nfs/dbraw/zinc/26/13/91/513261391.db2.gz JYUWXJUTTLPZKZ-HNNXBMFYSA-N 0 3 358.398 2.987 20 5 FFBDHN CCOC(=O)CC1(NCc2cc([N+](=O)[O-])cc3c2OCOC3)CCCC1 ZINC000434611540 513368217 /nfs/dbraw/zinc/36/82/17/513368217.db2.gz IDPNJLRCGDAUSL-UHFFFAOYSA-N 0 3 364.398 2.817 20 5 FFBDHN CN1C[C@@H]2CCCN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)[C@@H]2C1 ZINC000425059279 513396472 /nfs/dbraw/zinc/39/64/72/513396472.db2.gz RATYDPPWOLGGBK-XJKSGUPXSA-N 0 3 372.450 2.885 20 5 FFBDHN O=C(CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)Nc1ccc(F)cc1 ZINC000447540491 513502877 /nfs/dbraw/zinc/50/28/77/513502877.db2.gz JVMKUBMVQZHBCN-GJZGRUSLSA-N 0 3 361.377 2.642 20 5 FFBDHN O=C(CCN1CCc2ccccc2C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000416167494 513616036 /nfs/dbraw/zinc/61/60/36/513616036.db2.gz SCRWFQJFWSEPRT-UHFFFAOYSA-N 0 3 351.406 2.932 20 5 FFBDHN CN(C)[C@@H](CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000416219422 513653984 /nfs/dbraw/zinc/65/39/84/513653984.db2.gz HJDUUOGJAWYQMU-KRWDZBQOSA-N 0 3 367.409 2.780 20 5 FFBDHN COc1cc(C(=O)NC[C@H]2N(C)CCCC2(C)C)c([N+](=O)[O-])cc1F ZINC000451294019 513659506 /nfs/dbraw/zinc/65/95/06/513659506.db2.gz ISOICFZDTIRGFS-OAHLLOKOSA-N 0 3 353.394 2.593 20 5 FFBDHN CNC(=O)c1ccc(N(CCN(C)C)Cc2ccsc2)c([N+](=O)[O-])c1 ZINC000413463051 513668368 /nfs/dbraw/zinc/66/83/68/513668368.db2.gz YCMQTBYUSCZGNL-UHFFFAOYSA-N 0 3 362.455 2.584 20 5 FFBDHN CN(C)C(C)(C)CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435833787 513695109 /nfs/dbraw/zinc/69/51/09/513695109.db2.gz GFOXDYXQJBKGOQ-UHFFFAOYSA-N 0 3 355.413 2.890 20 5 FFBDHN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCN(C2CCCC2)CC1 ZINC000448660323 513834476 /nfs/dbraw/zinc/83/44/76/513834476.db2.gz XZPUTJMIGZLSNA-UHFFFAOYSA-N 0 3 369.425 2.685 20 5 FFBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448780393 513894131 /nfs/dbraw/zinc/89/41/31/513894131.db2.gz JTEABVRVSHWLKH-HUUCEWRRSA-N 0 3 371.441 2.631 20 5 FFBDHN O=C(CNc1ccc2ncccc2c1[N+](=O)[O-])NCCN1CCCCCC1 ZINC000431493232 513911938 /nfs/dbraw/zinc/91/19/38/513911938.db2.gz HHMOBHVOUCSBFW-UHFFFAOYSA-N 0 3 371.441 2.547 20 5 FFBDHN C[N@@H+]1CCCC[C@H]1CCC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000431786287 514001598 /nfs/dbraw/zinc/00/15/98/514001598.db2.gz SACQPYJKXQZINJ-AWEZNQCLSA-N 0 3 357.414 2.610 20 5 FFBDHN C[N@H+]1CCCC[C@H]1CCC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000431786287 514001602 /nfs/dbraw/zinc/00/16/02/514001602.db2.gz SACQPYJKXQZINJ-AWEZNQCLSA-N 0 3 357.414 2.610 20 5 FFBDHN O=C(CN1CCNC[C@@H]1c1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420403178 514132827 /nfs/dbraw/zinc/13/28/27/514132827.db2.gz KTGZLZOPRIGIGD-QGZVFWFLSA-N 0 3 374.828 2.833 20 5 FFBDHN COc1ccc(OCCN2CCNC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000420419332 514141844 /nfs/dbraw/zinc/14/18/44/514141844.db2.gz XQFBRXMFZXRKGV-GOSISDBHSA-N 0 3 357.410 2.629 20 5 FFBDHN COc1cc(CNC[C@H](CO)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000414527939 514163486 /nfs/dbraw/zinc/16/34/86/514163486.db2.gz NJUPHSFOSCTVCX-CQSZACIVSA-N 0 3 364.373 2.617 20 5 FFBDHN CCN1CCN(C[C@@H](C)CNc2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432346659 514168424 /nfs/dbraw/zinc/16/84/24/514168424.db2.gz LSEVFTFPFGUJGY-HNNXBMFYSA-N 0 3 357.458 2.829 20 5 FFBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000449360926 514179711 /nfs/dbraw/zinc/17/97/11/514179711.db2.gz VYINOTBBCBSYPL-DZGCQCFKSA-N 0 3 360.435 2.687 20 5 FFBDHN Cc1ccc([C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc2)cc1 ZINC000437647503 514202764 /nfs/dbraw/zinc/20/27/64/514202764.db2.gz RHBOJPVNKVFLQE-WOJBJXKFSA-N 0 3 366.421 2.840 20 5 FFBDHN O=[N+]([O-])c1cc(CN2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c2c(c1)COCO2 ZINC000449455050 514217196 /nfs/dbraw/zinc/21/71/96/514217196.db2.gz QEBYSMRJMBFYSK-KURKYZTESA-N 0 3 362.426 2.977 20 5 FFBDHN COc1cc(C[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)c([N+](=O)[O-])cc1[O-] ZINC000449543599 514248638 /nfs/dbraw/zinc/24/86/38/514248638.db2.gz TXBPGSCOIYIEIU-YOEHRIQHSA-N 0 3 359.382 2.714 20 5 FFBDHN COc1cc(C(=O)N[C@@H](CC(C)C)CN2CCCC2)c([N+](=O)[O-])cc1F ZINC000452344766 514294887 /nfs/dbraw/zinc/29/48/87/514294887.db2.gz PJJZLPCRUPGAFO-ZDUSSCGKSA-N 0 3 367.421 2.983 20 5 FFBDHN CCc1ccccc1[C@@H](N)CNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000423976610 514318494 /nfs/dbraw/zinc/31/84/94/514318494.db2.gz MTQFQKWXKBXWNB-HNNXBMFYSA-N 0 3 373.409 2.604 20 5 FFBDHN CCO[C@@H]1CCCC[C@H]1NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000449759739 514341730 /nfs/dbraw/zinc/34/17/30/514341730.db2.gz KKXOBOUILUMZBP-GDBMZVCRSA-N 0 3 366.414 2.584 20 5 FFBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCC2(N(C)Cc3ccccc3)CCC2)n1 ZINC000452732732 514478221 /nfs/dbraw/zinc/47/82/21/514478221.db2.gz QIXKZLZASZLFOB-UHFFFAOYSA-N 0 3 371.441 2.596 20 5 FFBDHN CC[C@@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000453141953 514555250 /nfs/dbraw/zinc/55/52/50/514555250.db2.gz JYCFXTIETHTZQG-CYBMUJFWSA-N 0 3 369.468 2.676 20 5 FFBDHN COc1c(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)cccc1[N+](=O)[O-] ZINC000475321768 514618392 /nfs/dbraw/zinc/61/83/92/514618392.db2.gz XVRLXQXCKDAUGE-QGZVFWFLSA-N 0 3 357.410 2.945 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000484642772 514725874 /nfs/dbraw/zinc/72/58/74/514725874.db2.gz VRBSXXNQACPRGS-OAHLLOKOSA-N 0 3 368.437 2.795 20 5 FFBDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCOC1 ZINC000502649512 514726331 /nfs/dbraw/zinc/72/63/31/514726331.db2.gz TUSNXCJGXTUXSO-GRYCIOLGSA-N 0 3 355.822 2.980 20 5 FFBDHN CN(C)C[C@@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000498386677 514893211 /nfs/dbraw/zinc/89/32/11/514893211.db2.gz BCRYZTBSASPHNA-QGZVFWFLSA-N 0 3 374.416 2.879 20 5 FFBDHN CNc1nc(C(=O)N(CCN2CCCCCC2)C(C)C)ccc1[N+](=O)[O-] ZINC000456048526 514922019 /nfs/dbraw/zinc/92/20/19/514922019.db2.gz MOZWDIFHZGOHGH-UHFFFAOYSA-N 0 3 363.462 2.758 20 5 FFBDHN Cc1sc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000467398849 514994392 /nfs/dbraw/zinc/99/43/92/514994392.db2.gz BCGNYFGNACZPFX-UHFFFAOYSA-N 0 3 373.500 2.604 20 5 FFBDHN COc1cccc([C@H](CNc2ncnc3cccc([N+](=O)[O-])c32)N(C)C)c1 ZINC000509071665 515011283 /nfs/dbraw/zinc/01/12/83/515011283.db2.gz XYFBSSPCZUAWKW-KRWDZBQOSA-N 0 3 367.409 2.683 20 5 FFBDHN O=[N+]([O-])c1ccc(NCCN2CCCCC2)nc1OCc1ccccc1 ZINC000462481020 515075330 /nfs/dbraw/zinc/07/53/30/515075330.db2.gz UTWPBMWBWHGNQP-UHFFFAOYSA-N 0 3 356.426 2.889 20 5 FFBDHN Cc1c(CNC(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000490204020 515140347 /nfs/dbraw/zinc/14/03/47/515140347.db2.gz SKPSJCBKKVNGSV-QWQRMKEZSA-N 0 3 360.458 2.775 20 5 FFBDHN C[C@@H](NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000467834307 515142026 /nfs/dbraw/zinc/14/20/26/515142026.db2.gz QLPVBRUPAPDUKI-BLVKFPJESA-N 0 3 368.393 2.500 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCCN2CCCC[C@H]2C)c1C ZINC000480936773 515142142 /nfs/dbraw/zinc/14/21/42/515142142.db2.gz PBLYPVCNVNZIEX-CQSZACIVSA-N 0 3 369.487 2.754 20 5 FFBDHN C[C@@H](NC[C@]1(O)CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000467849781 515146676 /nfs/dbraw/zinc/14/66/76/515146676.db2.gz IRKZSXCAQWFDJD-OXQOHEQNSA-N 0 3 355.438 2.882 20 5 FFBDHN COC(=O)C1CCN(CCCNc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000509555418 515231890 /nfs/dbraw/zinc/23/18/90/515231890.db2.gz JBUGQKRAKNMVKE-UHFFFAOYSA-N 0 3 355.822 2.935 20 5 FFBDHN CCN1CCCC[C@@H]1CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000472340590 515234715 /nfs/dbraw/zinc/23/47/15/515234715.db2.gz NMGIIXQONJYFML-QGZVFWFLSA-N 0 3 362.474 2.713 20 5 FFBDHN CN(C)CCOc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000477040603 515297636 /nfs/dbraw/zinc/29/76/36/515297636.db2.gz SQXLMUMCRBXQNZ-UHFFFAOYSA-N 0 3 361.373 2.856 20 5 FFBDHN CCN1CCC[C@@H]1CNCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000491061870 515365973 /nfs/dbraw/zinc/36/59/73/515365973.db2.gz TYDXZYGYAPIKAH-CYBMUJFWSA-N 0 3 373.400 2.821 20 5 FFBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000468456739 515366348 /nfs/dbraw/zinc/36/63/48/515366348.db2.gz IONUGPFPMVSVHU-QGZVFWFLSA-N 0 3 358.442 2.786 20 5 FFBDHN CC[C@H]1CCCCN1CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000486488952 515507885 /nfs/dbraw/zinc/50/78/85/515507885.db2.gz PFFPVEXKQULAKS-LBPRGKRZSA-N 0 3 355.385 2.796 20 5 FFBDHN C[C@H](NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000482073733 515566167 /nfs/dbraw/zinc/56/61/67/515566167.db2.gz GNZYDGPAIGQGET-BUXKBTBVSA-N 0 3 368.393 2.500 20 5 FFBDHN CCN1CCN([C@H](C)CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000486934833 515690506 /nfs/dbraw/zinc/69/05/06/515690506.db2.gz KFVZZYOTYQHCII-GFCCVEGCSA-N 0 3 358.389 2.634 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@H](COc3ccccc3)C2)c1 ZINC000505861688 515700670 /nfs/dbraw/zinc/70/06/70/515700670.db2.gz FIXCDQCAKZAZGB-AEFFLSMTSA-N 0 3 372.421 2.735 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCCc1nnnn1-c1ccccc1)CCC2 ZINC000511013659 515746289 /nfs/dbraw/zinc/74/62/89/515746289.db2.gz QQNSIJNAMLNMIR-SFHVURJKSA-N 0 3 364.409 2.780 20 5 FFBDHN COC1CCN(C(C)(C)CNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000473784393 515750225 /nfs/dbraw/zinc/75/02/25/515750225.db2.gz GAYAXAOBPVFPNF-UHFFFAOYSA-N 0 3 364.446 2.914 20 5 FFBDHN COc1ccc(OCCN2CC[C@@H](O)[C@H](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000459804924 515817533 /nfs/dbraw/zinc/81/75/33/515817533.db2.gz PELJJIOGADESDD-FUHWJXTLSA-N 0 3 364.442 2.855 20 5 FFBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000469508709 515846624 /nfs/dbraw/zinc/84/66/24/515846624.db2.gz OSEYIXGCGREOMR-MRXNPFEDSA-N 0 3 358.442 2.820 20 5 FFBDHN CSC1(CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CCN(C)CC1 ZINC000454977334 515869824 /nfs/dbraw/zinc/86/98/24/515869824.db2.gz SGUWJZQQJCENDW-ZDUSSCGKSA-N 0 3 366.487 2.782 20 5 FFBDHN C[C@@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000511368533 515880945 /nfs/dbraw/zinc/88/09/45/515880945.db2.gz FKXGSKGPWJMMND-CYBMUJFWSA-N 0 3 369.425 2.622 20 5 FFBDHN Cc1ccncc1CN(C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000483050549 515903161 /nfs/dbraw/zinc/90/31/61/515903161.db2.gz RBRGVXRVGIMUBS-UHFFFAOYSA-N 0 3 356.382 2.728 20 5 FFBDHN Cc1cccc(CN(CCN(C)C)C(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000487556416 515904001 /nfs/dbraw/zinc/90/40/01/515904001.db2.gz JTDPMERQDBOXLY-UHFFFAOYSA-N 0 3 371.437 2.872 20 5 FFBDHN Cc1cc(N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)ncc1[N+](=O)[O-] ZINC000474152234 515907381 /nfs/dbraw/zinc/90/73/81/515907381.db2.gz TZWLQGASRSYUCW-IRXDYDNUSA-N 0 3 356.426 2.593 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000483115965 515934919 /nfs/dbraw/zinc/93/49/19/515934919.db2.gz DMXIYHUAFHIBFI-YJBOKZPZSA-N 0 3 360.385 2.963 20 5 FFBDHN COc1cnccc1N1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000483215697 515989791 /nfs/dbraw/zinc/98/97/91/515989791.db2.gz IVNRVEIXQFWIPV-UHFFFAOYSA-N 0 3 362.817 2.974 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H]1N1CCCC1 ZINC000483386860 516058865 /nfs/dbraw/zinc/05/88/65/516058865.db2.gz MVDSUBMNRKALQQ-LSDHHAIUSA-N 0 3 369.874 2.900 20 5 FFBDHN CC1(C)[C@H](C(F)(F)F)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000469996613 516068916 /nfs/dbraw/zinc/06/89/16/516068916.db2.gz PBASSNOBLMKARE-TZMCWYRMSA-N 0 3 362.348 2.997 20 5 FFBDHN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC000460208859 516069197 /nfs/dbraw/zinc/06/91/97/516069197.db2.gz HPXRHCGOIZWVCR-UONOGXRCSA-N 0 3 358.446 2.792 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1C[C@](C)(OC)C1(C)C ZINC000465402478 516142546 /nfs/dbraw/zinc/14/25/46/516142546.db2.gz HRYMPWOIHCOVKP-POHZPAGDSA-N 0 3 365.430 2.724 20 5 FFBDHN CCN1CC[C@@H](N(C)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[C@H]1C ZINC000495473973 516175424 /nfs/dbraw/zinc/17/54/24/516175424.db2.gz KSTISRNWMBNZTH-HUUCEWRRSA-N 0 3 371.441 2.725 20 5 FFBDHN CNc1nc(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000455406011 516182497 /nfs/dbraw/zinc/18/24/97/516182497.db2.gz GIUCOGQLYOADEX-ZDUSSCGKSA-N 0 3 371.441 2.891 20 5 FFBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000507603734 516260741 /nfs/dbraw/zinc/26/07/41/516260741.db2.gz KFQDIVDRBRRBRL-DOTOQJQBSA-N 0 3 369.421 2.925 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H]2CCCOc3ccccc32)c1 ZINC000517556134 516360665 /nfs/dbraw/zinc/36/06/65/516360665.db2.gz GIICCSCZBRPECL-YJBOKZPZSA-N 0 3 358.394 2.838 20 5 FFBDHN COC(=O)CCC1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000531240825 516366761 /nfs/dbraw/zinc/36/67/61/516366761.db2.gz YHGDDFLRLURYBI-UHFFFAOYSA-N 0 3 366.414 2.647 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](COC(F)F)C1 ZINC000512822376 516375358 /nfs/dbraw/zinc/37/53/58/516375358.db2.gz GJTNQEQZWPUNDJ-GFCCVEGCSA-N 0 3 357.357 2.793 20 5 FFBDHN CCCN(CCN1CCCCC1)c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000557715665 516401165 /nfs/dbraw/zinc/40/11/65/516401165.db2.gz KLRNMKVAFVIXFH-UHFFFAOYSA-N 0 3 364.446 2.787 20 5 FFBDHN O=C(CCN1CCC(Nc2ccccn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000535574583 516406211 /nfs/dbraw/zinc/40/62/11/516406211.db2.gz HRPROVBHDPVERO-UHFFFAOYSA-N 0 3 369.425 2.895 20 5 FFBDHN COc1ccc(CNC[C@H](O)COc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000550763214 516411456 /nfs/dbraw/zinc/41/14/56/516411456.db2.gz HEQOUYPEKIKKJY-AWEZNQCLSA-N 0 3 366.801 2.786 20 5 FFBDHN CN1CCN([C@H](CNCc2cccc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000518249341 516589498 /nfs/dbraw/zinc/58/94/98/516589498.db2.gz BRKRNPUGNBSBIH-QGZVFWFLSA-N 0 3 360.483 2.735 20 5 FFBDHN O=[N+]([O-])c1ccccc1/C=C/CNCc1ccc2c(c1)CCS2(=O)=O ZINC000540619995 516642671 /nfs/dbraw/zinc/64/26/71/516642671.db2.gz VMVFUAFOQFQLKK-HWKANZROSA-N 0 3 358.419 2.728 20 5 FFBDHN COc1ccc(CN[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1O ZINC000531961567 516733519 /nfs/dbraw/zinc/73/35/19/516733519.db2.gz MUHIJCIJWJULBR-LBPRGKRZSA-N 0 3 359.382 2.816 20 5 FFBDHN Cc1c(Br)c(N(C)[C@@H]2CCN(C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000544393283 516739856 /nfs/dbraw/zinc/73/98/56/516739856.db2.gz FNFIUCLANFGYRZ-GXSJLCMTSA-N 0 3 357.252 2.837 20 5 FFBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@@H](C)C1 ZINC000561749738 516747388 /nfs/dbraw/zinc/74/73/88/516747388.db2.gz ZARHAHARDYIDOX-IYOUNJFTSA-N 0 3 368.437 2.945 20 5 FFBDHN Cc1cc(NCCCN2CCN(C)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000555119236 516791223 /nfs/dbraw/zinc/79/12/23/516791223.db2.gz AYWYOYUPHDDHRF-UHFFFAOYSA-N 0 3 360.380 2.971 20 5 FFBDHN C[C@H](N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000555415194 516917854 /nfs/dbraw/zinc/91/78/54/516917854.db2.gz JEUGQODXSNZHJS-WBQNTZJQSA-N 0 3 359.426 2.859 20 5 FFBDHN CN(CCCN(C)C(=O)Cc1ccccc1[N+](=O)[O-])Cc1ccncc1 ZINC000552112193 517086035 /nfs/dbraw/zinc/08/60/35/517086035.db2.gz QYRSGLNWMVUVGO-UHFFFAOYSA-N 0 3 356.426 2.513 20 5 FFBDHN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCC[C@@H]1CN1CCCC1 ZINC000541943095 517303330 /nfs/dbraw/zinc/30/33/30/517303330.db2.gz OWNJVNHWWSGTPM-CYBMUJFWSA-N 0 3 369.368 2.897 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000520274584 517326873 /nfs/dbraw/zinc/32/68/73/517326873.db2.gz MRKPMEXVRJFTEY-KDOFPFPSSA-N 0 3 369.421 2.996 20 5 FFBDHN COc1ccc(NC(=O)NC[C@@H](C)N2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000542030228 517346712 /nfs/dbraw/zinc/34/67/12/517346712.db2.gz RGKFLFWBTVVKQR-CHWSQXEVSA-N 0 3 350.419 2.988 20 5 FFBDHN O=C(NCc1ccc(OCCN2CCCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000520374144 517367219 /nfs/dbraw/zinc/36/72/19/517367219.db2.gz PAICBGQVGHGDNA-UHFFFAOYSA-N 0 3 369.421 2.999 20 5 FFBDHN CN(C)[C@]1(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CCSC1 ZINC000545856430 517395103 /nfs/dbraw/zinc/39/51/03/517395103.db2.gz LRGWMEXXTRZHMD-KRWDZBQOSA-N 0 3 369.462 2.565 20 5 FFBDHN COc1ccc(COC[C@H](O)CN[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000538279062 517538202 /nfs/dbraw/zinc/53/82/02/517538202.db2.gz ITTKLLJXGVNKKD-GDBMZVCRSA-N 0 3 360.410 2.832 20 5 FFBDHN COc1cnccc1N1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000563039618 517609408 /nfs/dbraw/zinc/60/94/08/517609408.db2.gz YOLIYXKKOYWPGW-UHFFFAOYSA-N 0 3 369.425 2.599 20 5 FFBDHN Cc1ccc(O[C@H](C)CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000516276579 517647144 /nfs/dbraw/zinc/64/71/44/517647144.db2.gz FGCQJSFPCBXCHT-NVXWUHKLSA-N 0 3 360.410 2.700 20 5 FFBDHN Cc1ccc(O[C@@H](C)CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000516276578 517647768 /nfs/dbraw/zinc/64/77/68/517647768.db2.gz FGCQJSFPCBXCHT-DOTOQJQBSA-N 0 3 360.410 2.700 20 5 FFBDHN CCOc1cc(N2CCN(C[C@@H]3CCCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000563220386 517747849 /nfs/dbraw/zinc/74/78/49/517747849.db2.gz MGUZNOWUPIQAED-YJBOKZPZSA-N 0 3 363.458 2.667 20 5 FFBDHN CCC[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CCN1Cc1ccccc1 ZINC000553622444 517817519 /nfs/dbraw/zinc/81/75/19/517817519.db2.gz WJXCQMZMRMKGSA-KRWDZBQOSA-N 0 3 357.458 2.815 20 5 FFBDHN COCCOc1cc2c(cc1CNCCc1ccc([N+](=O)[O-])cc1)OCO2 ZINC000521829764 517863974 /nfs/dbraw/zinc/86/39/74/517863974.db2.gz RDDFWIBVZYWVRB-UHFFFAOYSA-N 0 3 374.393 2.681 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000560558841 517896360 /nfs/dbraw/zinc/89/63/60/517896360.db2.gz VFMWDEIZYHWROM-UONOGXRCSA-N 0 3 367.471 2.510 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCCCN2CCc3ccccc3C2)n1 ZINC000557520241 518050959 /nfs/dbraw/zinc/05/09/59/518050959.db2.gz ZEXGSGWLISMTMJ-UHFFFAOYSA-N 0 3 370.409 2.637 20 5 FFBDHN C[C@@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)N1CCCC[C@H]1C ZINC000535282374 518173102 /nfs/dbraw/zinc/17/31/02/518173102.db2.gz VVUAHSCYWNADNB-CABCVRRESA-N 0 3 360.458 2.925 20 5 FFBDHN O=[N+]([O-])c1cccc(CN[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1 ZINC000575368856 518205392 /nfs/dbraw/zinc/20/53/92/518205392.db2.gz WKFYGRWPJYVDAR-AZUAARDMSA-N 0 3 355.438 2.567 20 5 FFBDHN CCN(C[C@H]1CCCN1CC)C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000569674768 518232534 /nfs/dbraw/zinc/23/25/34/518232534.db2.gz WGHVZNHPQUFWPF-GFCCVEGCSA-N 0 3 353.394 2.689 20 5 FFBDHN NC[C@@H]1c2ccccc2CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000567502340 518558232 /nfs/dbraw/zinc/55/82/32/518558232.db2.gz HWBMIJKGBLMANK-QGZVFWFLSA-N 0 3 374.828 2.745 20 5 FFBDHN O=[N+]([O-])c1cccc(Cl)c1CN[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000573286427 518592466 /nfs/dbraw/zinc/59/24/66/518592466.db2.gz BOLLBFZRRDUEPC-WBVHZDCISA-N 0 3 353.850 2.981 20 5 FFBDHN C[C@@H](CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000570591085 518682485 /nfs/dbraw/zinc/68/24/85/518682485.db2.gz DQVRRWMYTQQORM-HOTGVXAUSA-N 0 3 362.474 2.899 20 5 FFBDHN C[C@H](Cn1ncc2ccccc2c1=O)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582430559 518750687 /nfs/dbraw/zinc/75/06/87/518750687.db2.gz APEDBVOPAMMAQO-FZKQIMNGSA-N 0 3 364.405 2.970 20 5 FFBDHN CSc1ccc(F)cc1CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000573676999 518781643 /nfs/dbraw/zinc/78/16/43/518781643.db2.gz XYKLGZIVVBRVPB-CQSZACIVSA-N 0 3 366.414 2.985 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000582692917 518874643 /nfs/dbraw/zinc/87/46/43/518874643.db2.gz JBKQSPHPUVMBEI-CTNGQTDRSA-N 0 3 369.465 2.876 20 5 FFBDHN CC(=O)N1C[C@@H]2CCC[C@H](NCc3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000588978431 518887565 /nfs/dbraw/zinc/88/75/65/518887565.db2.gz GNYLDTUHJDOUSI-BPUTZDHNSA-N 0 3 351.834 2.985 20 5 FFBDHN CC(C)[C@@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000579858520 518890628 /nfs/dbraw/zinc/89/06/28/518890628.db2.gz FDFJXHKPAYMXHH-KRWDZBQOSA-N 0 3 363.414 2.640 20 5 FFBDHN COc1ccc(C(=O)NCCN[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000565551576 519015325 /nfs/dbraw/zinc/01/53/25/519015325.db2.gz YCYFFGKWMYWMLR-QGZVFWFLSA-N 0 3 355.394 2.610 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000589505983 519020331 /nfs/dbraw/zinc/02/03/31/519020331.db2.gz SVUPVLKBWIWCPX-QAPCUYQASA-N 0 3 373.453 2.830 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCCCC[C@H]2C[C@H](C)O)c1 ZINC000589518592 519023970 /nfs/dbraw/zinc/02/39/70/519023970.db2.gz ZVZJQDJXLLWYLH-BBRMVZONSA-N 0 3 350.415 2.897 20 5 FFBDHN Cc1ccc(OC[C@@H](O)CNCCOc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000574312429 519094316 /nfs/dbraw/zinc/09/43/16/519094316.db2.gz JQKODEVFKBNGPL-KRWDZBQOSA-N 0 3 360.410 2.620 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H]2CCCCC2(F)F)cc1 ZINC000571433275 519094416 /nfs/dbraw/zinc/09/44/16/519094416.db2.gz VXBQCTUABFWGOD-GFCCVEGCSA-N 0 3 362.398 2.784 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(F)(F)[C@@H](C)C1 ZINC000583232107 519140916 /nfs/dbraw/zinc/14/09/16/519140916.db2.gz VAHGXHGJKFEXOL-NSHDSACASA-N 0 3 357.357 2.909 20 5 FFBDHN COc1ccc(CC(=O)N[C@H](C)CN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000577597548 519158387 /nfs/dbraw/zinc/15/83/87/519158387.db2.gz FNTBWCVPOOUMBE-OAHLLOKOSA-N 0 3 371.437 2.783 20 5 FFBDHN CN1CCN(CCCCN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000566073990 519283304 /nfs/dbraw/zinc/28/33/04/519283304.db2.gz QCUKJIGIKHGIFI-INIZCTEOSA-N 0 3 374.407 2.815 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H](c3ccccn3)C2)c1 ZINC000590602690 519286301 /nfs/dbraw/zinc/28/63/01/519286301.db2.gz VTQMLTRXAQRLKZ-DOTOQJQBSA-N 0 3 357.410 2.609 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000566118339 519312718 /nfs/dbraw/zinc/31/27/18/519312718.db2.gz UPTFSVNORADEMM-SJORKVTESA-N 0 3 352.456 2.927 20 5 FFBDHN COC(=O)COc1ccc(CN[C@H]2CCc3cc(N)ccc32)cc1[N+](=O)[O-] ZINC000566489990 519519275 /nfs/dbraw/zinc/51/92/75/519519275.db2.gz BJWIOVADVIZLNI-INIZCTEOSA-N 0 3 371.393 2.506 20 5 FFBDHN Cc1cccc(C)c1OCCNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578435567 519591183 /nfs/dbraw/zinc/59/11/83/519591183.db2.gz HPXCOSMAEMMMBT-KRWDZBQOSA-N 0 3 360.410 2.620 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](c1ccccc1)C1(CO)CC=CC1 ZINC000602851304 519923883 /nfs/dbraw/zinc/92/38/83/519923883.db2.gz VLLVMLASLWAYBF-GOSISDBHSA-N 0 3 356.426 2.759 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@@H]1CC13CCSCC3)OCCO2 ZINC000591504084 519935109 /nfs/dbraw/zinc/93/51/09/519935109.db2.gz AIQFTCMQCGMYNJ-ZDUSSCGKSA-N 0 3 350.440 2.989 20 5 FFBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000594417278 519952328 /nfs/dbraw/zinc/95/23/28/519952328.db2.gz BKYCBSTXESAQEC-DLBZAZTESA-N 0 3 370.409 2.595 20 5 FFBDHN COc1ccc(NC(=O)CCN2CCC(SC)CC2)c([N+](=O)[O-])c1 ZINC000602923720 519974041 /nfs/dbraw/zinc/97/40/41/519974041.db2.gz VIGUWKLIUGYPKO-UHFFFAOYSA-N 0 3 353.444 2.759 20 5 FFBDHN C[C@@H]1CCCN(c2ccc(C(=O)N3CCNCC3(C)C)cc2[N+](=O)[O-])C1 ZINC000591678567 519994967 /nfs/dbraw/zinc/99/49/67/519994967.db2.gz YKHDMUWXYYHFIH-CQSZACIVSA-N 0 3 360.458 2.655 20 5 FFBDHN C[C@H]1CCCN(c2ccc(C(=O)N3CCNCC3(C)C)cc2[N+](=O)[O-])C1 ZINC000591678566 519995125 /nfs/dbraw/zinc/99/51/25/519995125.db2.gz YKHDMUWXYYHFIH-AWEZNQCLSA-N 0 3 360.458 2.655 20 5 FFBDHN Cc1cc(C)cc(OCCNC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000591729286 520014976 /nfs/dbraw/zinc/01/49/76/520014976.db2.gz XMXWVKQWOZUJOT-MRXNPFEDSA-N 0 3 360.410 2.620 20 5 FFBDHN C[C@H](CNC[C@H](O)COc1ccccc1[N+](=O)[O-])Oc1ccc(F)cc1 ZINC000591744979 520018869 /nfs/dbraw/zinc/01/88/69/520018869.db2.gz YHMMUJCVXGDVFH-HIFRSBDPSA-N 0 3 364.373 2.531 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000612578565 520030528 /nfs/dbraw/zinc/03/05/28/520030528.db2.gz WHBTZTXVZCGROG-UHFFFAOYSA-N 0 3 353.422 2.922 20 5 FFBDHN CCc1ccc(C(=O)N2CCCN(c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000603084615 520070163 /nfs/dbraw/zinc/07/01/63/520070163.db2.gz VRAZOGXJUZDOAR-UHFFFAOYSA-N 0 3 354.410 2.905 20 5 FFBDHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@H]1CCN1C1CCCCC1 ZINC000600228466 520140472 /nfs/dbraw/zinc/14/04/72/520140472.db2.gz AYOSVGPIIUHGBZ-CYBMUJFWSA-N 0 3 367.396 2.939 20 5 FFBDHN CCCN(C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCN(C)C1 ZINC000592024736 520140612 /nfs/dbraw/zinc/14/06/12/520140612.db2.gz YBHTZBVMPLNQMB-MRXNPFEDSA-N 0 3 373.457 2.744 20 5 FFBDHN CN(Cc1ccccc1)C[C@H](O)Cn1ccnc1-c1ccc([N+](=O)[O-])cc1 ZINC000608860478 520147062 /nfs/dbraw/zinc/14/70/62/520147062.db2.gz PNHMDNWEESLRBG-IBGZPJMESA-N 0 3 366.421 2.951 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000608905309 520158976 /nfs/dbraw/zinc/15/89/76/520158976.db2.gz BMFJPQXSVCICEV-JSGCOSHPSA-N 0 3 367.833 2.712 20 5 FFBDHN CN1CCN(Cc2ccccc2)[C@@H](CNCc2ccc([N+](=O)[O-])cc2)C1 ZINC000594993104 520245532 /nfs/dbraw/zinc/24/55/32/520245532.db2.gz BKXMMJCUIKBBKA-FQEVSTJZSA-N 0 3 354.454 2.501 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@](C)(CO)c1ccccc1 ZINC000609483814 520327247 /nfs/dbraw/zinc/32/72/47/520327247.db2.gz IINSWTSPEUPJPJ-LJQANCHMSA-N 0 3 357.410 2.729 20 5 FFBDHN C[N@H+](Cc1ccc2nc([N-]C(=O)c3n[nH]cc3[N+](=O)[O-])sc2c1)C1CC1 ZINC000598028449 520384215 /nfs/dbraw/zinc/38/42/15/520384215.db2.gz NBVAFACHSBEDCP-UHFFFAOYSA-N 0 3 372.410 2.774 20 5 FFBDHN C[N@@H+](Cc1ccc2nc([N-]C(=O)c3n[nH]cc3[N+](=O)[O-])sc2c1)C1CC1 ZINC000598028449 520384224 /nfs/dbraw/zinc/38/42/24/520384224.db2.gz NBVAFACHSBEDCP-UHFFFAOYSA-N 0 3 372.410 2.774 20 5 FFBDHN O=[N+]([O-])c1ccc2ncnc(NC[C@@H](c3ccco3)N3CCCC3)c2c1 ZINC000609849616 520456709 /nfs/dbraw/zinc/45/67/09/520456709.db2.gz RWILJYPGKILLRN-INIZCTEOSA-N 0 3 353.382 2.802 20 5 FFBDHN O=[N+]([O-])c1cc(CNC[C@H]2COCCN2)ccc1Oc1ccc(F)cc1 ZINC000600773381 520461680 /nfs/dbraw/zinc/46/16/80/520461680.db2.gz HJLAXOYMDBJNPQ-HNNXBMFYSA-N 0 3 361.373 2.604 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3COCCN3)o2)c(Cl)c1 ZINC000600777621 520462562 /nfs/dbraw/zinc/46/25/62/520462562.db2.gz VNGQIABLTOZGIC-LLVKDONJSA-N 0 3 351.790 2.586 20 5 FFBDHN C[C@H](c1ccccc1)[C@H](CO)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000613388993 520478192 /nfs/dbraw/zinc/47/81/92/520478192.db2.gz AYDMBNKEKICCSL-GLJUWKHASA-N 0 3 357.410 2.676 20 5 FFBDHN C[C@H](N[C@@H](CO)[C@@H](C)c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000613389176 520479379 /nfs/dbraw/zinc/47/93/79/520479379.db2.gz KDLCXKDYFPSDIQ-ZQIUZPCESA-N 0 3 357.410 2.676 20 5 FFBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCC2(O)Cc3ccccc3C2)c1 ZINC000610010186 520506095 /nfs/dbraw/zinc/50/60/95/520506095.db2.gz MJAPXWPHANKLOP-UHFFFAOYSA-N 0 3 364.348 2.816 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C)CN2CCC(C)CC2)c1 ZINC000598261526 520525703 /nfs/dbraw/zinc/52/57/03/520525703.db2.gz GIJYRVCLGHNJIV-INIZCTEOSA-N 0 3 363.458 2.909 20 5 FFBDHN CCCN1CC[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000598342706 520566825 /nfs/dbraw/zinc/56/68/25/520566825.db2.gz PEDGJYFGEITAMZ-LLVKDONJSA-N 0 3 356.220 2.571 20 5 FFBDHN COCCCN(C)CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000610208278 520580995 /nfs/dbraw/zinc/58/09/95/520580995.db2.gz SUJMKWNLFZCNBN-UHFFFAOYSA-N 0 3 351.447 2.590 20 5 FFBDHN CCOc1cc(CN[C@H](CO)[C@@H]2CCC[C@H](OC)C2)ccc1[N+](=O)[O-] ZINC000595632367 520609248 /nfs/dbraw/zinc/60/92/48/520609248.db2.gz NUWGGBXVVOFLIK-OWCLPIDISA-N 0 3 352.431 2.649 20 5 FFBDHN CCOc1cc(CN[C@H](CO)[C@@H]2CCC[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000595632365 520609844 /nfs/dbraw/zinc/60/98/44/520609844.db2.gz NUWGGBXVVOFLIK-BZUAXINKSA-N 0 3 352.431 2.649 20 5 FFBDHN C[C@H]1c2ccccc2C[C@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000595706197 520664874 /nfs/dbraw/zinc/66/48/74/520664874.db2.gz IVKNOQJGEMUJFF-SMDDNHRTSA-N 0 3 369.377 2.580 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@]2(C)CCCC[C@H]2C(=O)OC)c1 ZINC000593019868 520687886 /nfs/dbraw/zinc/68/78/86/520687886.db2.gz RRWIVFLRUNGJQT-KBXCAEBGSA-N 0 3 364.398 2.593 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](CO)[C@@H](C)c2ccccc2)c1 ZINC000593024424 520690784 /nfs/dbraw/zinc/69/07/84/520690784.db2.gz DOHYXWWECRHGPD-SUMWQHHRSA-N 0 3 358.394 2.636 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC([C@@H]3CCCCO3)CC2)c1 ZINC000595785223 520721553 /nfs/dbraw/zinc/72/15/53/520721553.db2.gz CSYYINXGHKLDEV-MJGOQNOKSA-N 0 3 364.442 2.616 20 5 FFBDHN CCOc1cc(CN(CCN2CCOCC2)CC2CC2)ccc1[N+](=O)[O-] ZINC000595806769 520740067 /nfs/dbraw/zinc/74/00/67/520740067.db2.gz GCBRIWMZIYDVHE-UHFFFAOYSA-N 0 3 363.458 2.538 20 5 FFBDHN CN(CCN1CCCCC1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000593110942 520752384 /nfs/dbraw/zinc/75/23/84/520752384.db2.gz ABEXOIZZISRVKZ-UHFFFAOYSA-N 0 3 354.838 2.604 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(c2ccon2)CC1 ZINC000595828798 520754436 /nfs/dbraw/zinc/75/44/36/520754436.db2.gz MPJVSLGBSHEVSP-UHFFFAOYSA-N 0 3 374.397 2.800 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@]2(CC2(F)F)C1 ZINC000593119418 520759014 /nfs/dbraw/zinc/75/90/14/520759014.db2.gz YHUDPPYXTKEVEZ-HNNXBMFYSA-N 0 3 355.341 2.663 20 5 FFBDHN Cc1cccc(C(=O)N2CC[C@H](OCCN3CCCCC3)C2)c1[N+](=O)[O-] ZINC000610733148 520819429 /nfs/dbraw/zinc/81/94/29/520819429.db2.gz NIXBFHCAURROTL-INIZCTEOSA-N 0 3 361.442 2.620 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCN1CCCCC1 ZINC000593206331 520826999 /nfs/dbraw/zinc/82/69/99/520826999.db2.gz BXUOAARSSIHPKP-UHFFFAOYSA-N 0 3 350.419 2.943 20 5 FFBDHN CN(C(=O)C(C[C@@H]1COCCO1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000598802370 520849944 /nfs/dbraw/zinc/84/99/44/520849944.db2.gz CKVNXMMZKOMAMF-OLZOCXBDSA-N 0 3 362.304 2.542 20 5 FFBDHN COc1cc(N2CCC(CN3CCOCC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596076036 520897189 /nfs/dbraw/zinc/89/71/89/520897189.db2.gz BENIWPFFBXTDSJ-UHFFFAOYSA-N 0 3 369.849 2.805 20 5 FFBDHN CN(C)CCn1cc(Nc2c(Br)cccc2[N+](=O)[O-])cn1 ZINC000596097341 520909636 /nfs/dbraw/zinc/90/96/36/520909636.db2.gz MLDAHDOPDBGOHY-UHFFFAOYSA-N 0 3 354.208 2.859 20 5 FFBDHN NC(=O)c1cc(Nc2cccc(CN3CCSCC3)c2)ccc1[N+](=O)[O-] ZINC000596112712 520919654 /nfs/dbraw/zinc/91/96/54/520919654.db2.gz SOFPJPORMBLSPY-UHFFFAOYSA-N 0 3 372.450 2.986 20 5 FFBDHN COc1cccc(C(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000593337159 520920308 /nfs/dbraw/zinc/92/03/08/520920308.db2.gz PGFVRWRARRNVQJ-HXUWFJFHSA-N 0 3 369.421 2.998 20 5 FFBDHN C[C@@H](c1ccncc1)N1CCC(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596171053 520950870 /nfs/dbraw/zinc/95/08/70/520950870.db2.gz DHAWKVAZENVRAV-ZDUSSCGKSA-N 0 3 369.425 2.726 20 5 FFBDHN COC(=O)c1c(Cl)c(N2C[C@@H](SC)[C@@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000596178054 520954476 /nfs/dbraw/zinc/95/44/76/520954476.db2.gz KMSVOLWIDLKIMF-NWDGAFQWSA-N 0 3 373.862 2.517 20 5 FFBDHN COc1cccc([N+](=O)[O-])c1NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000596424575 521065417 /nfs/dbraw/zinc/06/54/17/521065417.db2.gz SJRVMQXYIWWAMZ-INIZCTEOSA-N 0 3 357.410 2.782 20 5 FFBDHN Nc1cc(N2CCCN(Cc3ccc(F)cc3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000611525553 521204016 /nfs/dbraw/zinc/20/40/16/521204016.db2.gz ZKXAGQSSCMFFAN-UHFFFAOYSA-N 0 3 374.416 2.521 20 5 FFBDHN CC(C)[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000599550660 521292285 /nfs/dbraw/zinc/29/22/85/521292285.db2.gz XGYXOABTXBAOJD-IBGZPJMESA-N 0 3 357.458 2.634 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H](c2ccccn2)C2CCC2)c1 ZINC000599569133 521303916 /nfs/dbraw/zinc/30/39/16/521303916.db2.gz LHNJNLVIXDWIPH-LPHOPBHVSA-N 0 3 357.410 2.861 20 5 FFBDHN O=C(CSc1ccc([N+](=O)[O-])cc1F)NC1CCN(C2CC2)CC1 ZINC000618964971 521321884 /nfs/dbraw/zinc/32/18/84/521321884.db2.gz OMPAUCWLVHLIIQ-UHFFFAOYSA-N 0 3 353.419 2.569 20 5 FFBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000599614847 521334372 /nfs/dbraw/zinc/33/43/72/521334372.db2.gz VHZDMNVALZYKBT-UHFFFAOYSA-N 0 3 370.409 2.783 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000596890183 521359540 /nfs/dbraw/zinc/35/95/40/521359540.db2.gz LDIGDGKZGDWQME-AWEZNQCLSA-N 0 3 350.419 2.942 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCN1C ZINC000607688856 521430051 /nfs/dbraw/zinc/43/00/51/521430051.db2.gz YRGSADQOVQSAEQ-HOTGVXAUSA-N 0 3 363.461 2.754 20 5 FFBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000594199235 521465501 /nfs/dbraw/zinc/46/55/01/521465501.db2.gz IGRAZEJQHLSKPD-ROUUACIJSA-N 0 3 369.425 2.527 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H]1c1ccc(O)cc1 ZINC000612094697 521478132 /nfs/dbraw/zinc/47/81/32/521478132.db2.gz RDOLKPSJLCNFGU-IAGOWNOFSA-N 0 3 358.394 2.877 20 5 FFBDHN Cc1cncc(CCNCc2cc(Br)c([N+](=O)[O-])s2)n1 ZINC000602719150 521494030 /nfs/dbraw/zinc/49/40/30/521494030.db2.gz YMBYWBWQFJAHAO-UHFFFAOYSA-N 0 3 357.233 2.850 20 5 FFBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594284290 521536594 /nfs/dbraw/zinc/53/65/94/521536594.db2.gz UXLCAVWDTNONJK-QZTJIDSGSA-N 0 3 360.458 2.796 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN(Cc1ccc(F)cc1)C1CCOCC1 ZINC000602821684 521553223 /nfs/dbraw/zinc/55/32/23/521553223.db2.gz QLDNUAIJWJPTKS-UHFFFAOYSA-N 0 3 362.405 2.920 20 5 FFBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@@H](Cn3ccnn3)C2)o1 ZINC000597173055 521554284 /nfs/dbraw/zinc/55/42/84/521554284.db2.gz CXMACPSGGBPNCI-CQSZACIVSA-N 0 3 353.382 2.968 20 5 FFBDHN O=C1CC[C@@H]2CN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC[C@@H]2N1 ZINC000597204734 521573437 /nfs/dbraw/zinc/57/34/37/521573437.db2.gz FTIYXYURHZAXIG-CJNGLKHVSA-N 0 3 355.394 2.955 20 5 FFBDHN COc1cc(CNCC2CCC(O)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000597223147 521584371 /nfs/dbraw/zinc/58/43/71/521584371.db2.gz LQZOLUPTJOKUHA-UHFFFAOYSA-N 0 3 374.384 2.888 20 5 FFBDHN CC[C@@H]([NH2+]CCOc1cccc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000825141420 608552159 /nfs/dbraw/zinc/55/21/59/608552159.db2.gz OHLZKQQMOUOWTA-QGZVFWFLSA-N 0 3 368.397 2.895 20 5 FFBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCc2ncc(Br)n2C1 ZINC000898727031 735401118 /nfs/dbraw/zinc/40/11/18/735401118.db2.gz QDBUDAQCHWFZQK-LLVKDONJSA-N 0 3 351.204 2.658 20 5 FFBDHN O=[N+]([O-])c1cc(Br)ccc1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000112209254 728543195 /nfs/dbraw/zinc/54/31/95/728543195.db2.gz YCAFIDOFSBCMIU-NEPJUHHUSA-N 0 3 356.220 2.632 20 5 FFBDHN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@H](N2CCCC2)C1 ZINC000129245670 728710738 /nfs/dbraw/zinc/71/07/38/728710738.db2.gz HPTMRMDYHNYYJT-ZDUSSCGKSA-N 0 3 357.332 2.924 20 5 FFBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@@H](O)c3ccc(Cl)cc3)C2)nc1 ZINC000173462981 729047591 /nfs/dbraw/zinc/04/75/91/729047591.db2.gz HSMKHPHUIUAFNR-GOEBONIOSA-N 0 3 362.817 2.863 20 5 FFBDHN CCc1nn(C)c(OC)c1CN[C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866288736 731046537 /nfs/dbraw/zinc/04/65/37/731046537.db2.gz LVVGGMTXGQLHMH-LLVKDONJSA-N 0 3 350.394 2.759 20 5 FFBDHN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NCc1ccc(S(C)(=O)=O)s1 ZINC000866345636 731050811 /nfs/dbraw/zinc/05/08/11/731050811.db2.gz ALIAFWHNXRSSMC-JTQLQIEISA-N 0 3 372.443 2.920 20 5 FFBDHN CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CCC1(C)C ZINC000871154294 731600541 /nfs/dbraw/zinc/60/05/41/731600541.db2.gz SCAUVECVKAVVER-UHFFFAOYSA-N 0 3 370.247 2.914 20 5 FFBDHN CCNC(=O)N1CC[C@H](N[C@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000872047412 731723307 /nfs/dbraw/zinc/72/33/07/731723307.db2.gz BNDKTCBEVRLRPZ-NEPJUHHUSA-N 0 3 352.460 2.771 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCC(NCc3cc(F)cnc3Cl)CC2)cn1 ZINC000877556294 732386696 /nfs/dbraw/zinc/38/66/96/732386696.db2.gz OROQLUFFALIUSX-UHFFFAOYSA-N 0 3 365.796 2.936 20 5 FFBDHN O=C1OCC[C@H]1CCCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000877805275 732437568 /nfs/dbraw/zinc/43/75/68/732437568.db2.gz ASLZMCZQFBHHEO-MRVPVSSYSA-N 0 3 363.233 2.852 20 5 FFBDHN C[C@]1(Br)C[C@@H]1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000892078501 734512627 /nfs/dbraw/zinc/51/26/27/734512627.db2.gz NNZPRCFSJWHBIQ-SUNKGSAMSA-N 0 3 355.236 2.650 20 5 FFBDHN O=[N+]([O-])c1ccc(CN[C@@H](CO)C[C@H](O)c2ccccc2)cc1Cl ZINC000783648849 738822730 /nfs/dbraw/zinc/82/27/30/738822730.db2.gz ASENCVDMCOCVQU-PBHICJAKSA-N 0 3 350.802 2.822 20 5 FFBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000893601813 734725167 /nfs/dbraw/zinc/72/51/67/734725167.db2.gz JLIOJJYXIARYQW-CABCVRRESA-N 0 3 352.822 2.626 20 5 FFBDHN O=[N+]([O-])c1cnc(NC[C@H]2CCN2C2CCOCC2)c(C(F)(F)F)c1 ZINC000896521036 735172424 /nfs/dbraw/zinc/17/24/24/735172424.db2.gz CAKQQGUZQWCOQE-LLVKDONJSA-N 0 3 360.336 2.674 20 5 FFBDHN O=[N+]([O-])c1cc(Br)ccc1CNC[C@@H](O)CCC1(O)CCC1 ZINC000905427840 736339555 /nfs/dbraw/zinc/33/95/55/736339555.db2.gz OFFLAPQHANGHEC-ZDUSSCGKSA-N 0 3 373.247 2.503 20 5 FFBDHN CC1(C)CC[C@@H](CCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)OC1 ZINC000905645293 736375240 /nfs/dbraw/zinc/37/52/40/736375240.db2.gz VTXXPLBSMNOOCN-HNNXBMFYSA-N 0 3 370.471 2.553 20 5 FFBDHN COCC[C@]1(NCc2ccc(Br)c([N+](=O)[O-])c2)CCOC1 ZINC000775034995 738055585 /nfs/dbraw/zinc/05/55/85/738055585.db2.gz WFPZUBBSGJEUDB-AWEZNQCLSA-N 0 3 359.220 2.643 20 5 FFBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778247736 738366522 /nfs/dbraw/zinc/36/65/22/738366522.db2.gz OCHOVOWCBJAOKI-STQMWFEESA-N 0 3 355.385 2.923 20 5 FFBDHN C[C@H](CO)N(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCC1 ZINC000788466196 739247617 /nfs/dbraw/zinc/24/76/17/739247617.db2.gz GRPIKIHOEXFZBD-LLVKDONJSA-N 0 3 355.822 2.812 20 5 FFBDHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cc(Cl)cc2c1OCC2 ZINC000933271298 739592804 /nfs/dbraw/zinc/59/28/04/739592804.db2.gz JZUSZIAAVHNYBR-NSHDSACASA-N 0 3 363.801 2.696 20 5 FFBDHN CCOC(=O)C1([C@H](C)N[C@@H](C)c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000933882600 739701090 /nfs/dbraw/zinc/70/10/90/739701090.db2.gz SOBKPCWGLFQLRY-KBPBESRZSA-N 0 3 350.415 2.994 20 5 FFBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1OCc1cscn1 ZINC000813106492 741677383 /nfs/dbraw/zinc/67/73/83/741677383.db2.gz CRGYGHSTDQFTAG-SNVBAGLBSA-N 0 3 352.368 2.553 20 5 FFBDHN Cc1[nH]c2ccc(Br)cc2c1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813109933 741677765 /nfs/dbraw/zinc/67/77/65/741677765.db2.gz QMUGGBMRZVUGRM-MRVPVSSYSA-N 0 3 355.188 2.990 20 5 FFBDHN Cc1ccc(-n2cnnc2SCC(=O)OCC(C)[N+](=O)[O-])cc1Cl ZINC000813111642 741678404 /nfs/dbraw/zinc/67/84/04/741678404.db2.gz JQOZAQRFLRPACU-JTQLQIEISA-N 0 3 370.818 2.530 20 5 FFBDHN C[C@H](NCCNC(=O)c1ccc(Cl)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815569058 741945741 /nfs/dbraw/zinc/94/57/41/741945741.db2.gz FHXAJUYWDGVOSJ-NSHDSACASA-N 0 3 362.817 2.911 20 5 FFBDHN CC[C@H](CNCc1ccc(OC)c([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000824661359 743123978 /nfs/dbraw/zinc/12/39/78/743123978.db2.gz WZNJHJKCCBIPCK-CYBMUJFWSA-N 0 3 353.419 2.996 20 5 FFBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C[C@@H]1N(C)C ZINC000827425993 743573665 /nfs/dbraw/zinc/57/36/65/743573665.db2.gz NYDFWCMZEISIDA-KBPBESRZSA-N 0 3 357.863 2.674 20 5 FFBDHN Cc1[nH]cnc1CC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000840528134 747116500 /nfs/dbraw/zinc/11/65/00/747116500.db2.gz WVVIHXDFGSSFCD-ZDUSSCGKSA-N 0 3 360.267 2.728 20 5 FFBDHN COc1ccc(Br)cc1C1(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000842364456 747579857 /nfs/dbraw/zinc/57/98/57/747579857.db2.gz YIWJMDSMHABMGN-VIFPVBQESA-N 0 3 358.188 2.698 20 5 FFBDHN CCCN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000843990976 747946565 /nfs/dbraw/zinc/94/65/65/747946565.db2.gz ZQFCNMZEDJQDRS-GFCCVEGCSA-N 0 3 357.813 2.873 20 5 FFBDHN CC([C@H](OC(=O)c1ccc([N+](=O)[O-])n1C)c1ccccc1F)[N+](=O)[O-] ZINC000845874800 748341155 /nfs/dbraw/zinc/34/11/55/748341155.db2.gz KBNDLHJOQCKOSN-XPTSAGLGSA-N 0 3 351.290 2.636 20 5 FFBDHN C[C@H]1COCCN1C1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000846914173 748573868 /nfs/dbraw/zinc/57/38/68/748573868.db2.gz YEMRTFNXXMCTQH-ZDUSSCGKSA-N 0 3 353.850 2.933 20 5 FFBDHN CCOP(=O)(OCC)[C@@H](O)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000851869765 749712214 /nfs/dbraw/zinc/71/22/14/749712214.db2.gz QEJDXQPHHXPMQZ-OAHLLOKOSA-N 0 3 358.331 2.537 20 5 FFBDHN O=[N+]([O-])c1ccc2nc(N3CCC(N4CCCOCC4)CC3)sc2c1 ZINC000853688543 750136792 /nfs/dbraw/zinc/13/67/92/750136792.db2.gz QBUAXPZBAALUMZ-UHFFFAOYSA-N 0 3 362.455 2.896 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000134885650 960091733 /nfs/dbraw/zinc/09/17/33/960091733.db2.gz WMJVYVJVXGRZTG-RDJZCZTQSA-N 0 3 369.421 2.753 20 5 FFBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000874846336 1013916088 /nfs/dbraw/zinc/91/60/88/1013916088.db2.gz IRBPBBSGYZUSKX-QZTJIDSGSA-N 0 3 358.442 2.504 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000875745071 1014070609 /nfs/dbraw/zinc/07/06/09/1014070609.db2.gz HRXTUZHZPANRSR-IRXDYDNUSA-N 0 3 371.441 2.565 20 5 FFBDHN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000063756321 973193726 /nfs/dbraw/zinc/19/37/26/973193726.db2.gz XHWFCKSHZXPAKH-NWDGAFQWSA-N 0 3 364.402 2.662 20 5 FFBDHN COCCCNC(=O)C1CCN(Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000876630122 1014331901 /nfs/dbraw/zinc/33/19/01/1014331901.db2.gz RKYOJNAIOCGSAI-UHFFFAOYSA-N 0 3 363.458 2.576 20 5 FFBDHN Cc1c(C(=O)NCCN2CCC(C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000126236128 1014415263 /nfs/dbraw/zinc/41/52/63/1014415263.db2.gz YRGPZMQKBVNTBT-UHFFFAOYSA-N 0 3 364.402 2.582 20 5 FFBDHN O=[N+]([O-])c1ccc(NC[C@]2(O)CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000702628439 990010459 /nfs/dbraw/zinc/01/04/59/990010459.db2.gz LSRAFPLWVSKGCM-GOSISDBHSA-N 0 3 372.381 2.552 20 5 FFBDHN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCN(C2CCCC2)CC1 ZINC000917053954 990104196 /nfs/dbraw/zinc/10/41/96/990104196.db2.gz NWYJXQPBPYECDN-UHFFFAOYSA-N 0 3 358.442 2.552 20 5 FFBDHN CC(COC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)[N+](=O)[O-] ZINC000813110192 995625110 /nfs/dbraw/zinc/62/51/10/995625110.db2.gz UPCDURXDLXQTSG-ZDUSSCGKSA-N 0 3 352.350 2.756 20 5 FFBDHN CC(COC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1)[N+](=O)[O-] ZINC000813113085 995625398 /nfs/dbraw/zinc/62/53/98/995625398.db2.gz ALOHYEJUGCJKLP-LBPRGKRZSA-N 0 3 358.329 2.624 20 5 FFBDHN CCc1ccc([C@@H](CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000823984563 996771840 /nfs/dbraw/zinc/77/18/40/996771840.db2.gz LKDFGDOSQNRXAB-MOPGFXCFSA-N 0 3 371.437 2.610 20 5 FFBDHN CC(C)(C)N1CC[C@H]1COC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000845735770 998643032 /nfs/dbraw/zinc/64/30/32/998643032.db2.gz OPAKTNOENKTFKX-HNNXBMFYSA-N 0 3 358.398 2.810 20 5 FFBDHN CC([C@H](OC(=O)[C@H](C)NC(=O)OC(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845875111 998676997 /nfs/dbraw/zinc/67/69/97/998676997.db2.gz LOIILMJYMYKPFJ-MJVIPROJSA-N 0 3 370.377 2.988 20 5 FFBDHN COC(=O)c1ccc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])n1C ZINC000845883018 998678712 /nfs/dbraw/zinc/67/87/12/998678712.db2.gz QWEXRIWZRVDYGY-MEBBXXQBSA-N 0 3 364.329 2.514 20 5 FFBDHN CC(C)[C@@H](CN(C)C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000733168300 998905270 /nfs/dbraw/zinc/90/52/70/998905270.db2.gz SREUDDYHOBAJSM-GOSISDBHSA-N 0 3 365.477 2.857 20 5 FFBDHN C[C@@H]1CCCN1CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000742242108 999766125 /nfs/dbraw/zinc/76/61/25/999766125.db2.gz SDRSDQZGHJHEDT-OAHLLOKOSA-N 0 3 360.458 2.799 20 5 FFBDHN CC(C)(C)OC(=O)N1CC2(C1)CCCCN2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011396 1000015711 /nfs/dbraw/zinc/01/57/11/1000015711.db2.gz KDAJAMMPHBZCJR-LSDHHAIUSA-N 0 3 353.463 2.907 20 5 FFBDHN C[C@H](NC[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788506601 1001814329 /nfs/dbraw/zinc/81/43/29/1001814329.db2.gz WSWKFJXZKPQYKG-MAUKXSAKSA-N 0 3 370.453 2.729 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000791395351 1002689291 /nfs/dbraw/zinc/68/92/91/1002689291.db2.gz RQTYWCKWLFZGDE-SJKOYZFVSA-N 0 3 372.400 2.566 20 5 FFBDHN COc1c(C(=O)N(CCc2ccccc2)CCN(C)C)cccc1[N+](=O)[O-] ZINC000793107636 1003282315 /nfs/dbraw/zinc/28/23/15/1003282315.db2.gz MADCCHQNJXXEBH-UHFFFAOYSA-N 0 3 371.437 2.850 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@@H](c3nnc4ccccn43)C2)cc1 ZINC000776584281 1005954952 /nfs/dbraw/zinc/95/49/52/1005954952.db2.gz KAZOSAJAJKXDFE-WBVHZDCISA-N 0 3 367.409 2.551 20 5 FFBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@H](Cn2cccn2)c2ccccc2)cc1 ZINC000776590091 1006004251 /nfs/dbraw/zinc/00/42/51/1006004251.db2.gz CBDHCVMFTJEXCU-RTBURBONSA-N 0 3 352.394 2.856 20 5 FFBDHN COC(=O)[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]2CCCC[C@@H]12 ZINC000852496925 1006054556 /nfs/dbraw/zinc/05/45/56/1006054556.db2.gz SKSKMGHBXRSDAI-MHORFTMASA-N 0 3 362.426 2.682 20 5 FFBDHN O=[N+]([O-])c1ccc([C@H](O)CNCc2ccc(N3CCCCC3)nc2)cc1 ZINC000818961293 1007980088 /nfs/dbraw/zinc/98/00/88/1007980088.db2.gz POKOFZDQEIJEJE-GOSISDBHSA-N 0 3 356.426 2.803 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCc2ccc(N3CCCCC3)nc2)cc1 ZINC000818961297 1007980333 /nfs/dbraw/zinc/98/03/33/1007980333.db2.gz POKOFZDQEIJEJE-SFHVURJKSA-N 0 3 356.426 2.803 20 5 FFBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000820009896 1008265231 /nfs/dbraw/zinc/26/52/31/1008265231.db2.gz XCEKTIVFFQFZQW-CRAIPNDOSA-N 0 3 366.421 2.934 20 5 FFBDHN CN1CC[C@H](NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000823956525 1009277450 /nfs/dbraw/zinc/27/74/50/1009277450.db2.gz SKSUWUJSSLDTLM-DOTOQJQBSA-N 0 3 355.398 2.744 20 5 FFBDHN O=[N+]([O-])c1ccc(CCN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000118866638 1009789026 /nfs/dbraw/zinc/78/90/26/1009789026.db2.gz MBNHMAVEZHPEGF-CQSZACIVSA-N 0 3 357.370 2.627 20 5 FFBDHN Cc1ncccc1NC(=O)[C@H](C)N[C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866369107 1010984670 /nfs/dbraw/zinc/98/46/70/1010984670.db2.gz HFLSMNNUMWIEJU-AAEUAGOBSA-N 0 3 360.389 2.985 20 5 FFBDHN Cc1cnc(CNC2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)cn1 ZINC001173007617 1012175904 /nfs/dbraw/zinc/17/59/04/1012175904.db2.gz UYNRECJVHIQNKQ-UHFFFAOYSA-N 0 3 363.368 2.730 20 5 FFBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cn(Cc2ccccn2)cn1 ZINC001173218049 1012351099 /nfs/dbraw/zinc/35/10/99/1012351099.db2.gz AOHRLUDAMPJEKC-OAHLLOKOSA-N 0 3 351.410 2.955 20 5 FFBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccccc2)[C@@H](CO)C1 ZINC001173224443 1012358557 /nfs/dbraw/zinc/35/85/57/1012358557.db2.gz FWOVRMCFNQYBJR-LAUBAEHRSA-N 0 3 369.465 2.705 20 5 FFBDHN COc1ccc(COC[C@H](O)CNCc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000748820235 1017681986 /nfs/dbraw/zinc/68/19/86/1017681986.db2.gz RPYWYASLNAKRKA-QGZVFWFLSA-N 0 3 360.410 2.579 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000930314221 1019975126 /nfs/dbraw/zinc/97/51/26/1019975126.db2.gz DEZUYMDPJFHIQE-OAHLLOKOSA-N 0 3 362.430 2.586 20 5 FFBDHN O=[N+]([O-])c1ccccc1CN(CCO[C@@H]1CCOC1)[C@H]1CC[C@H](O)CC1 ZINC000930809886 1020197828 /nfs/dbraw/zinc/19/78/28/1020197828.db2.gz OVRKFGNHZFNJQD-KZNAEPCWSA-N 0 3 364.442 2.506 20 5 FFBDHN C[C@@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)OC(C)(C)C ZINC000828917137 1032903649 /nfs/dbraw/zinc/90/36/49/1032903649.db2.gz DOOLIINGPWUFHC-KBRIMQKVSA-N 0 3 364.442 2.928 20 5 FFBDHN CCOc1cc(CN2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)ccc1[N+](=O)[O-] ZINC000932018127 1020668326 /nfs/dbraw/zinc/66/83/26/1020668326.db2.gz ACKAJDCFKUINGD-KDOFPFPSSA-N 0 3 363.414 2.704 20 5 FFBDHN COc1ccc(COC[C@@H](O)CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000932180594 1020734481 /nfs/dbraw/zinc/73/44/81/1020734481.db2.gz AGCMDYRRRMHXKA-KDOFPFPSSA-N 0 3 360.410 2.832 20 5 FFBDHN CN(C)CCN(Cc1ccccn1)C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000932210814 1020743681 /nfs/dbraw/zinc/74/36/81/1020743681.db2.gz LWLCUPYOLOMSQH-OALUTQOASA-N 0 3 368.437 2.684 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934836970 1021421804 /nfs/dbraw/zinc/42/18/04/1021421804.db2.gz GUIPBEFTCXMJCB-HOTGVXAUSA-N 0 3 361.442 2.980 20 5 FFBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000755192806 1023576561 /nfs/dbraw/zinc/57/65/61/1023576561.db2.gz PLYFOINKFGGMNP-IDCODDLRSA-N 0 3 373.453 2.711 20 5 FFBDHN O=[N+]([O-])c1cc(Br)cc(F)c1O[C@H]1CNCCC1(F)F ZINC001218446056 1033158900 /nfs/dbraw/zinc/15/89/00/1033158900.db2.gz ATBHULJIJKKWHG-VIFPVBQESA-N 0 3 355.110 2.872 20 5 FFBDHN C[C@](O)(CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(F)cc1 ZINC000758598643 1024209343 /nfs/dbraw/zinc/20/93/43/1024209343.db2.gz BQZZOYXUBIUXGF-SFHVURJKSA-N 0 3 362.357 2.502 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ncn(CN3CCCC[C@@H]3[C@H]3CCC[C@@H]3O)n2)cc1 ZINC000840117674 1026965345 /nfs/dbraw/zinc/96/53/45/1026965345.db2.gz WCVCOESDWYUQCK-KURKYZTESA-N 0 3 371.441 2.826 20 5 FFBDHN O=c1c([N+](=O)[O-])cn(Cc2cccc(CN3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000840201560 1027005955 /nfs/dbraw/zinc/00/59/55/1027005955.db2.gz YORYNBSICWNLPV-UHFFFAOYSA-N 0 3 372.381 2.699 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(-n2c(-c3ccccc3)cnc2[C@H](C)N)n1 ZINC001159597398 1027442503 /nfs/dbraw/zinc/44/25/03/1027442503.db2.gz HBPFAIYDBQMXLG-NSHDSACASA-N 0 3 367.365 2.649 20 5 FFBDHN CC(C)[C@H](CN(C)C)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000780689876 1028768517 /nfs/dbraw/zinc/76/85/17/1028768517.db2.gz DKQURYGBZYZXDO-IBGZPJMESA-N 0 3 351.450 2.997 20 5 FFBDHN CN1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C[C@@H]1C(C)(C)C ZINC001163930820 1029121007 /nfs/dbraw/zinc/12/10/07/1029121007.db2.gz WYCJPTMTXFZVCY-QGZVFWFLSA-N 0 3 371.441 2.787 20 5 FFBDHN Cc1ncc([N+](=O)[O-])c(N2CCC[C@@H](NCOCC[Si](C)(C)C)C2)n1 ZINC001156466618 1029202269 /nfs/dbraw/zinc/20/22/69/1029202269.db2.gz SFIBXCAURIUONI-CQSZACIVSA-N 0 3 367.526 2.564 20 5 FFBDHN O=[N+]([O-])c1cnc(N2C[C@H]3CCN(Cc4ccccc4)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001165083548 1029370845 /nfs/dbraw/zinc/37/08/45/1029370845.db2.gz GXWKUOUYSBUNLE-RHSMWYFYSA-N 0 3 369.381 2.609 20 5 FFBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001142303914 1030288826 /nfs/dbraw/zinc/28/88/26/1030288826.db2.gz WQFDCPSJKCYXSA-CMPLNLGQSA-N 0 3 363.805 2.537 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2ncn(CN3CCC[C@@H]3[C@H]3CCCOC3)n2)c1 ZINC000842616423 1030825937 /nfs/dbraw/zinc/82/59/37/1030825937.db2.gz ORMKIKGISRKJBW-DOTOQJQBSA-N 0 3 357.414 2.702 20 5 FFBDHN CC(C)c1ccc(C[NH2+][C@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1[N+](=O)[O-] ZINC001203952913 1031007408 /nfs/dbraw/zinc/00/74/08/1031007408.db2.gz CLUBMCBAJCVZIQ-AWEZNQCLSA-N 0 3 357.414 2.582 20 5 FFBDHN COc1ccc(CO[C@H]2CC[C@@H](N3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC001223517057 1033479009 /nfs/dbraw/zinc/47/90/09/1033479009.db2.gz ILHXSOYDPCAFCN-IYBDPMFKSA-N 0 3 350.415 2.763 20 5 FFBDHN COc1cc(O[C@@H](C)CN(C)C)c2c(c1)oc1c(O)ccc(O)c1c2=O ZINC001227645822 1035653402 /nfs/dbraw/zinc/65/34/02/1035653402.db2.gz JTFHTPWTHHPSOJ-JTQLQIEISA-N 0 3 359.378 2.695 20 5 FFBDHN COC(=O)c1cnc(OC2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001233860366 1036794886 /nfs/dbraw/zinc/79/48/86/1036794886.db2.gz ZWRWDSBCWOLNGY-UHFFFAOYSA-N 0 3 371.393 2.820 20 5 FFBDHN COCCN1CCC(Oc2cccc(Br)c2[N+](=O)[O-])CC1 ZINC001230326472 1037223182 /nfs/dbraw/zinc/22/31/82/1037223182.db2.gz NOAXGFDNUAHEEP-UHFFFAOYSA-N 0 3 359.220 2.847 20 5 FFBDHN COC(=O)C[C@H](N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccc(O)c1 ZINC001254580506 1040812472 /nfs/dbraw/zinc/81/24/72/1040812472.db2.gz FYUOXLLOTLYTMX-YJBOKZPZSA-N 0 3 356.378 2.662 20 5 FFBDHN Cc1cnc(O[C@H]2CCCN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)nc1 ZINC001254605327 1040834224 /nfs/dbraw/zinc/83/42/24/1040834224.db2.gz BERONEIKSAGBBT-ROUUACIJSA-N 0 3 354.410 2.704 20 5 FFBDHN CCOc1cc(NC(=O)N[C@@H]2CCN(C)[C@@H]2C)c([N+](=O)[O-])cc1OCC ZINC001309999362 1043621508 /nfs/dbraw/zinc/62/15/08/1043621508.db2.gz BIEXEXYXHKCTRY-VXGBXAGGSA-N 0 3 366.418 2.606 20 5 FFBDHN CCc1ccc([C@@H](CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)N(C)C)cc1 ZINC001539263033 1070599962 /nfs/dbraw/zinc/59/99/62/1070599962.db2.gz WOCCKYHRQBJBBE-GFCCVEGCSA-N 0 3 365.821 2.566 20 5 FFBDHN O=[N+]([O-])c1cccc(-n2ccc(-c3nc([C@@H]4CN5CCC4CC5)no3)n2)c1 ZINC001323914451 1045773095 /nfs/dbraw/zinc/77/30/95/1045773095.db2.gz ISUIDHWCHQLCCZ-OAHLLOKOSA-N 0 3 366.381 2.640 20 5 FFBDHN Cn1cc([C@@H](NC2CC(n3cc([N+](=O)[O-])cn3)C2)c2ccccc2)cn1 ZINC001330617261 1049231687 /nfs/dbraw/zinc/23/16/87/1049231687.db2.gz AZZCAFWSCAXOQZ-HTWSVDAQSA-N 0 3 352.398 2.608 20 5 FFBDHN CCCN1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC001331278949 1049547582 /nfs/dbraw/zinc/54/75/82/1049547582.db2.gz BBGVRPVLDXMJAR-JTQLQIEISA-N 0 3 374.210 2.711 20 5 FFBDHN COC(=O)[C@@H](C)Oc1ccccc1CNCCOc1ccc([N+](=O)[O-])cc1 ZINC001308247313 1052436836 /nfs/dbraw/zinc/43/68/36/1052436836.db2.gz POLPVHIXCQGPGR-CQSZACIVSA-N 0 3 374.393 2.704 20 5 FFBDHN COc1ccc(NC(=O)N(CCN(C)C)Cc2ccccn2)c([N+](=O)[O-])c1 ZINC001344458373 1052781135 /nfs/dbraw/zinc/78/11/35/1052781135.db2.gz DUJNNZSCNXONCS-UHFFFAOYSA-N 0 3 373.413 2.594 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@@H]3CCCN3Cc3ccccc32)n1 ZINC001354985766 1059735212 /nfs/dbraw/zinc/73/52/12/1059735212.db2.gz ZXTCKRGVBYHZKN-HNNXBMFYSA-N 0 3 352.394 2.923 20 5 FFBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000848350285 1059835158 /nfs/dbraw/zinc/83/51/58/1059835158.db2.gz PKPHJIKXXXAMEX-IEBWSBKVSA-N 0 3 372.469 2.942 20 5 FFBDHN COc1ccc(C[C@H]2CCN2C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC001459656063 1060788101 /nfs/dbraw/zinc/78/81/01/1060788101.db2.gz OTECNLBVYGBCKH-SJORKVTESA-N 0 3 372.421 2.660 20 5 FFBDHN CCOc1ccc(NC(=O)CN[C@@H]2CCOC23CCCC3)c([N+](=O)[O-])c1 ZINC001460910138 1061147374 /nfs/dbraw/zinc/14/73/74/1061147374.db2.gz RKVKEXKUFWDDIS-MRXNPFEDSA-N 0 3 363.414 2.623 20 5 FFBDHN O=C1[C@H](N2CCCC[C@@H]([C@@H]3CCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC001460925360 1061152639 /nfs/dbraw/zinc/15/26/39/1061152639.db2.gz SUKCCOSTYJWICJ-GPMSIDNRSA-N 0 3 373.453 2.839 20 5 FFBDHN CCC(C)(C)N1CCN(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001526712169 1061228196 /nfs/dbraw/zinc/22/81/96/1061228196.db2.gz UFIWXTJFRDAHJD-UHFFFAOYSA-N 0 3 350.419 2.942 20 5 FFBDHN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@H]3CCN(C)[C@H]3C2)CC1 ZINC001522272651 1061844924 /nfs/dbraw/zinc/84/49/24/1061844924.db2.gz ROYHDINRSJRRGN-BEFAXECRSA-N 0 3 372.469 2.607 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)n1 ZINC001529851141 1062414426 /nfs/dbraw/zinc/41/44/26/1062414426.db2.gz GUEXYNGKSKMZMY-MRXNPFEDSA-N 0 3 354.410 2.693 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 ZINC001475069533 1065692728 /nfs/dbraw/zinc/69/27/28/1065692728.db2.gz UZSCTYDXKLLIME-KCQAQPDRSA-N 0 3 369.487 2.548 20 5 FFBDHN C[NH+](C)CCN(CC1CCCCC1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001578991617 1078559393 /nfs/dbraw/zinc/55/93/93/1078559393.db2.gz XGADGBZLRAXWCM-UHFFFAOYSA-N 0 3 373.461 2.723 20 5 FFBDHN NCc1cccnc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC001580347223 1078789442 /nfs/dbraw/zinc/78/94/42/1078789442.db2.gz QJPUEGGVTNZSRY-UHFFFAOYSA-N 0 3 355.398 2.691 20 5 FFBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC001569514689 1077149872 /nfs/dbraw/zinc/14/98/72/1077149872.db2.gz QLIFLJOXEURDGL-HNNXBMFYSA-N 0 3 373.384 2.861 20 5 FFBDHN C[C@H](c1cccc(-c2nnn[n-]2)c1)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001590043543 1080969713 /nfs/dbraw/zinc/96/97/13/1080969713.db2.gz OTQAGNNWJNGXFB-PXAZEXFGSA-N 0 3 368.397 2.501 20 5 FFBDHN C[C@H](c1cccc(-c2nnn[n-]2)c1)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001590043543 1080969716 /nfs/dbraw/zinc/96/97/16/1080969716.db2.gz OTQAGNNWJNGXFB-PXAZEXFGSA-N 0 3 368.397 2.501 20 5 FFBDHN C[C@H](c1cccc(-c2nn[n-]n2)c1)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001590043543 1080969720 /nfs/dbraw/zinc/96/97/20/1080969720.db2.gz OTQAGNNWJNGXFB-PXAZEXFGSA-N 0 3 368.397 2.501 20 5 FFBDHN C[C@H](c1cccc(-c2nn[n-]n2)c1)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001590043543 1080969722 /nfs/dbraw/zinc/96/97/22/1080969722.db2.gz OTQAGNNWJNGXFB-PXAZEXFGSA-N 0 3 368.397 2.501 20 5 FFBDHN CC(C)c1ccc(CNCCC(=O)NCc2cccnc2)cc1[N+](=O)[O-] ZINC000131431453 250986667 /nfs/dbraw/zinc/98/66/67/250986667.db2.gz LQEUMWHDHRVTJP-UHFFFAOYSA-N 0 3 356.426 2.909 20 5 FFBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CCN(C)C1CC1 ZINC000186763333 251259328 /nfs/dbraw/zinc/25/93/28/251259328.db2.gz LTUNYKSGBATYBU-LLVKDONJSA-N 0 3 354.838 2.601 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)C[C@@H](O)COCCOC(C)C ZINC000272283971 252000192 /nfs/dbraw/zinc/00/01/92/252000192.db2.gz FUQFVNRXNGFUSA-NVXWUHKLSA-N 0 3 354.447 2.699 20 5 FFBDHN CN1CC[C@H]2CCN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000272671404 252098455 /nfs/dbraw/zinc/09/84/55/252098455.db2.gz TXMRMUWAYZAQBB-WFASDCNBSA-N 0 3 367.833 2.570 20 5 FFBDHN Cn1ccnc1[C@@H](NC1CCN(C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000272584448 252074347 /nfs/dbraw/zinc/07/43/47/252074347.db2.gz YWIXOFOPHZFXRU-SFHVURJKSA-N 0 3 355.442 2.634 20 5 FFBDHN C[C@@H]1C[C@H](N2CCCC2)CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000285731613 257001913 /nfs/dbraw/zinc/00/19/13/257001913.db2.gz XOSMOBABGLRCCN-OCCSQVGLSA-N 0 3 366.849 2.745 20 5 FFBDHN COc1cc(OCC(=O)Nc2ccccc2CCN(C)C)ccc1[N+](=O)[O-] ZINC000275810286 256050504 /nfs/dbraw/zinc/05/05/04/256050504.db2.gz JKRJXRYIMXVDJN-UHFFFAOYSA-N 0 3 373.409 2.725 20 5 FFBDHN CN(C)C1(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCC1 ZINC000275830700 256051758 /nfs/dbraw/zinc/05/17/58/256051758.db2.gz GAASZAKDFXECJM-UHFFFAOYSA-N 0 3 356.220 2.571 20 5 FFBDHN COc1cc(CNCC2(N(C)C)CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000276046206 256068493 /nfs/dbraw/zinc/06/84/93/256068493.db2.gz TXWWYOFJZRJNFI-UHFFFAOYSA-N 0 3 373.400 2.821 20 5 FFBDHN CN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000276484012 256103846 /nfs/dbraw/zinc/10/38/46/256103846.db2.gz GKJLWXVMANCVKM-MRXNPFEDSA-N 0 3 354.410 2.524 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N(CCN(C)C)Cc1cccc(O)c1 ZINC000277027029 256153454 /nfs/dbraw/zinc/15/34/54/256153454.db2.gz GEIVFZFZYNHILM-UHFFFAOYSA-N 0 3 373.409 2.513 20 5 FFBDHN CCCn1ccnc1CCCN(C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000277171039 256168101 /nfs/dbraw/zinc/16/81/01/256168101.db2.gz KRJUZOBQSXITAD-UHFFFAOYSA-N 0 3 373.457 2.729 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000277381730 256191910 /nfs/dbraw/zinc/19/19/10/256191910.db2.gz WJJUKNHJBWLWDU-CABZTGNLSA-N 0 3 368.231 2.570 20 5 FFBDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000278770815 256346705 /nfs/dbraw/zinc/34/67/05/256346705.db2.gz WMHIDPWXJUOWTC-ZDUSSCGKSA-N 0 3 353.850 2.933 20 5 FFBDHN CCS[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000286236661 257027017 /nfs/dbraw/zinc/02/70/17/257027017.db2.gz RQOCTLIMUBCUQB-DZGCQCFKSA-N 0 3 353.444 2.806 20 5 FFBDHN CC1(C)C[C@H](NC[C@H]2CCCS(=O)(=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000287002900 257066380 /nfs/dbraw/zinc/06/63/80/257066380.db2.gz KECJMKOYYMYIDZ-WBMJQRKESA-N 0 3 352.456 2.732 20 5 FFBDHN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000288473335 257192768 /nfs/dbraw/zinc/19/27/68/257192768.db2.gz QOODKOUZPWECSB-LJQANCHMSA-N 0 3 354.410 2.661 20 5 FFBDHN CC[C@H](NC[C@](C)(O)CNC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000289300702 257272819 /nfs/dbraw/zinc/27/28/19/257272819.db2.gz BMMFPMACRILUME-YJBOKZPZSA-N 0 3 367.446 2.911 20 5 FFBDHN CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCOC(C)(C)C1 ZINC000289672326 257293200 /nfs/dbraw/zinc/29/32/00/257293200.db2.gz GAHKTYBHZUEHLE-CQSZACIVSA-N 0 3 365.430 2.821 20 5 FFBDHN CCCN1CCC(Nc2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])CC1 ZINC000301090993 258024762 /nfs/dbraw/zinc/02/47/62/258024762.db2.gz NJWIVUHGGITISA-UHFFFAOYSA-N 0 3 352.391 2.590 20 5 FFBDHN CN(C)CCn1cc(Nc2ccc(Br)cc2[N+](=O)[O-])cn1 ZINC000301162667 258030806 /nfs/dbraw/zinc/03/08/06/258030806.db2.gz HRYOLJGVKDQJDZ-UHFFFAOYSA-N 0 3 354.208 2.859 20 5 FFBDHN CCN1CCN([C@@H](C)CNc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301202315 258033454 /nfs/dbraw/zinc/03/34/54/258033454.db2.gz XEGGNRTZWWQWGC-LBPRGKRZSA-N 0 3 371.279 2.795 20 5 FFBDHN CN(C)CC1(CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CCCC1 ZINC000302108062 258088669 /nfs/dbraw/zinc/08/86/69/258088669.db2.gz ATCZXAPITKKUQP-UHFFFAOYSA-N 0 3 355.460 2.532 20 5 FFBDHN Cc1cc(NCCNC(=O)c2ccc(O)cc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302191904 258094099 /nfs/dbraw/zinc/09/40/99/258094099.db2.gz RISNFESDPLFHKZ-UHFFFAOYSA-N 0 3 366.377 2.999 20 5 FFBDHN CCN1C[C@@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000330587740 258166203 /nfs/dbraw/zinc/16/62/03/258166203.db2.gz UATMFTKVUHIFKJ-NWDGAFQWSA-N 0 3 354.838 2.601 20 5 FFBDHN C[C@@H]1CN2CCCC[C@H]2CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000332465402 258231450 /nfs/dbraw/zinc/23/14/50/258231450.db2.gz ISJOMPUJCRECGY-OCCSQVGLSA-N 0 3 366.849 2.745 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](c2nccn2C)C1 ZINC000373100471 512171555 /nfs/dbraw/zinc/17/15/55/512171555.db2.gz RYONZTFONJYHKN-HNNXBMFYSA-N 0 3 371.441 2.845 20 5 FFBDHN CCN(CC)[C@@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000067275220 506813925 /nfs/dbraw/zinc/81/39/25/506813925.db2.gz XUWUHWSXFUTYOI-HNNXBMFYSA-N 0 3 371.397 2.877 20 5 FFBDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000067722812 506989000 /nfs/dbraw/zinc/98/90/00/506989000.db2.gz QUFGDZNOPHBJNX-QGZVFWFLSA-N 0 3 356.426 2.567 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C2CCCC2)CC1 ZINC000045768856 507016121 /nfs/dbraw/zinc/01/61/21/507016121.db2.gz LRQPHTZCAYVOPQ-UHFFFAOYSA-N 0 3 360.458 2.792 20 5 FFBDHN CN(C)CCOc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000045794384 507021442 /nfs/dbraw/zinc/02/14/42/507021442.db2.gz XYQJUEQPZONARK-UHFFFAOYSA-N 0 3 358.398 2.857 20 5 FFBDHN C[C@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC[C@H]1N1CCN(C)CC1 ZINC000367059542 512319628 /nfs/dbraw/zinc/31/96/28/512319628.db2.gz HMNONCYQLPPMAW-HNAYVOBHSA-N 0 3 369.469 2.605 20 5 FFBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCN1CCC[C@H](C)C1 ZINC000068353297 507198561 /nfs/dbraw/zinc/19/85/61/507198561.db2.gz LUXNZRHNOVOPBV-QWHCGFSZSA-N 0 3 369.849 2.864 20 5 FFBDHN O=C(NCCN1CCCCC1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000047866198 507402386 /nfs/dbraw/zinc/40/23/86/507402386.db2.gz GRMMDNUEXLVLSS-UHFFFAOYSA-N 0 3 358.345 2.804 20 5 FFBDHN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)NC1CCN(C2CC2)CC1 ZINC000047865247 507402573 /nfs/dbraw/zinc/40/25/73/507402573.db2.gz URVCEFSZMVMJEL-UHFFFAOYSA-N 0 3 370.356 2.945 20 5 FFBDHN CN(C)CCN(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000072729725 507848697 /nfs/dbraw/zinc/84/86/97/507848697.db2.gz MEZQBRGDUJMVHP-UHFFFAOYSA-N 0 3 357.410 2.564 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](C)S[C@@H](C)C1 ZINC000072770540 507851858 /nfs/dbraw/zinc/85/18/58/507851858.db2.gz CLIYKDPSLHOAPA-TXEJJXNPSA-N 0 3 353.444 2.758 20 5 FFBDHN Cc1ccc([C@H](C)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000090015362 507902490 /nfs/dbraw/zinc/90/24/90/507902490.db2.gz XFHRMDDSPGBDAW-AWEZNQCLSA-N 0 3 363.439 2.532 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCCN(c2cccnn2)C1 ZINC000109071187 507936066 /nfs/dbraw/zinc/93/60/66/507936066.db2.gz BOOHXHSUISGXQD-HNNXBMFYSA-N 0 3 357.414 2.542 20 5 FFBDHN COc1cc(N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000091478518 507988583 /nfs/dbraw/zinc/98/85/83/507988583.db2.gz CYMWFYKTGCVKBH-GJZGRUSLSA-N 0 3 363.458 2.929 20 5 FFBDHN CC(C)C[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N(C)C ZINC000074136883 507991597 /nfs/dbraw/zinc/99/15/97/507991597.db2.gz VRNIIGWDZSVWRT-INIZCTEOSA-N 0 3 362.474 2.901 20 5 FFBDHN C[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000110351209 508022247 /nfs/dbraw/zinc/02/22/47/508022247.db2.gz MJXVKFZMZHOJCA-HNNXBMFYSA-N 0 3 357.410 2.610 20 5 FFBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](N2CCCC2)C1 ZINC000110629703 508038711 /nfs/dbraw/zinc/03/87/11/508038711.db2.gz BNDYFRKGTIRYMI-JSGCOSHPSA-N 0 3 366.849 2.745 20 5 FFBDHN CCN1CCN(CCCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000092607658 508086572 /nfs/dbraw/zinc/08/65/72/508086572.db2.gz LENOUPJCBJKNHT-UHFFFAOYSA-N 0 3 358.389 2.636 20 5 FFBDHN C[C@H](CN1CCCCC1)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000097069067 508218373 /nfs/dbraw/zinc/21/83/73/508218373.db2.gz PLDIBCDITVDJJH-CQSZACIVSA-N 0 3 371.441 2.600 20 5 FFBDHN CCN(CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000101957285 508261563 /nfs/dbraw/zinc/26/15/63/508261563.db2.gz RGOZQUGFRKVXDB-UHFFFAOYSA-N 0 3 360.439 2.932 20 5 FFBDHN CCC(=O)N[C@H]1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000104680566 508340844 /nfs/dbraw/zinc/34/08/44/508340844.db2.gz SPSVRTGYOYKSLR-HNNXBMFYSA-N 0 3 372.425 2.783 20 5 FFBDHN CN(C)CCOc1ccc(CNC(=O)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000087274659 508345787 /nfs/dbraw/zinc/34/57/87/508345787.db2.gz GAOAIAMGYOMGLQ-UHFFFAOYSA-N 0 3 371.437 2.784 20 5 FFBDHN CCN(Cc1ccc2c(c1)OCO2)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000104949350 508354522 /nfs/dbraw/zinc/35/45/22/508354522.db2.gz XRERUWQCMMXBSI-MRXNPFEDSA-N 0 3 374.393 2.585 20 5 FFBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000115436220 508394305 /nfs/dbraw/zinc/39/43/05/508394305.db2.gz ANFQMBWCORARBO-HNNXBMFYSA-N 0 3 360.458 2.609 20 5 FFBDHN Cc1cc(C(=O)N(CCN(C)C)Cc2cccc(O)c2)ccc1[N+](=O)[O-] ZINC000157203870 508537439 /nfs/dbraw/zinc/53/74/39/508537439.db2.gz ORQYPJOYZVDQMW-UHFFFAOYSA-N 0 3 357.410 2.813 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CCc1nccs1 ZINC000157441518 508567161 /nfs/dbraw/zinc/56/71/61/508567161.db2.gz ADVNJQDFQOSZKR-UHFFFAOYSA-N 0 3 364.427 2.563 20 5 FFBDHN COc1cccc(OCCN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000157467050 508569566 /nfs/dbraw/zinc/56/95/66/508569566.db2.gz BCBZEMWTSBWSJI-CQSZACIVSA-N 0 3 358.398 2.564 20 5 FFBDHN C[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H](C)C1 ZINC000153517305 508591425 /nfs/dbraw/zinc/59/14/25/508591425.db2.gz YIGWJUILVHYUKZ-KGLIPLIRSA-N 0 3 358.442 2.855 20 5 FFBDHN COCCCN1CCC(NC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000153646516 508615417 /nfs/dbraw/zinc/61/54/17/508615417.db2.gz YBEXHVXOCZOUAM-UHFFFAOYSA-N 0 3 350.419 2.526 20 5 FFBDHN NC(=O)C1(NCCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCCCC1 ZINC000123250089 508658849 /nfs/dbraw/zinc/65/88/49/508658849.db2.gz MRHDVGUBFICQDJ-UHFFFAOYSA-N 0 3 358.398 2.570 20 5 FFBDHN C[C@@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@H](C)C1 ZINC000135997029 508663913 /nfs/dbraw/zinc/66/39/13/508663913.db2.gz WCTKIDTYRPHQQP-GJZGRUSLSA-N 0 3 371.441 2.631 20 5 FFBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)cc1OC ZINC000123351186 508673641 /nfs/dbraw/zinc/67/36/41/508673641.db2.gz UQPCNJFDTCBWLH-CHWSQXEVSA-N 0 3 365.430 2.557 20 5 FFBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCN1C ZINC000123418921 508684280 /nfs/dbraw/zinc/68/42/80/508684280.db2.gz ZECRQZLQAFJAKE-ZBFHGGJFSA-N 0 3 360.458 2.750 20 5 FFBDHN COc1ccc(OCCN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000118866842 508688587 /nfs/dbraw/zinc/68/85/87/508688587.db2.gz UQSCORGZDRERIG-CQSZACIVSA-N 0 3 358.398 2.564 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CN1C1CC1 ZINC000123898110 508754640 /nfs/dbraw/zinc/75/46/40/508754640.db2.gz WUGIBFBYAQTXEI-JOYOIKCWSA-N 0 3 368.231 2.712 20 5 FFBDHN COc1cc(C(=O)NC[C@H](Cc2ccccc2)N(C)C)ccc1[N+](=O)[O-] ZINC000159233802 508811545 /nfs/dbraw/zinc/81/15/45/508811545.db2.gz DCFHWZOJYMIACX-INIZCTEOSA-N 0 3 357.410 2.506 20 5 FFBDHN COc1cc(CN(C)C[C@H](C)O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000130737829 508838777 /nfs/dbraw/zinc/83/87/77/508838777.db2.gz XMEUUXZJKJJXCK-AWEZNQCLSA-N 0 3 360.410 2.995 20 5 FFBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H](O)c1ccc(F)cc1 ZINC000124828431 508891268 /nfs/dbraw/zinc/89/12/68/508891268.db2.gz XTXBBTQKNCESHO-PXAZEXFGSA-N 0 3 361.373 2.774 20 5 FFBDHN NC(=O)[C@@H]1CCC[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000120081748 508924169 /nfs/dbraw/zinc/92/41/69/508924169.db2.gz KOVACGMFHHNFJR-DGCLKSJQSA-N 0 3 360.439 2.852 20 5 FFBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H]2CCCS2(=O)=O)s1 ZINC000131685977 508959514 /nfs/dbraw/zinc/95/95/14/508959514.db2.gz HAZWXWFKCBBEDZ-CYBMUJFWSA-N 0 3 366.464 2.990 20 5 FFBDHN COc1ccc([C@H]2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)cc1 ZINC000155264419 508961520 /nfs/dbraw/zinc/96/15/20/508961520.db2.gz QBFKPTDPSLBJGI-HNNXBMFYSA-N 0 3 355.394 2.692 20 5 FFBDHN Cc1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)c(OCCN(C)C)c1 ZINC000151385667 509009143 /nfs/dbraw/zinc/00/91/43/509009143.db2.gz DQQQZLZTFFAHDC-UHFFFAOYSA-N 0 3 373.409 2.861 20 5 FFBDHN C[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000120616953 509032237 /nfs/dbraw/zinc/03/22/37/509032237.db2.gz UHSLSOFOSUEXEH-SECBINFHSA-N 0 3 356.220 2.570 20 5 FFBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000121007027 509108350 /nfs/dbraw/zinc/10/83/50/509108350.db2.gz AQQSGDRHZLQPAI-MFKMUULPSA-N 0 3 370.247 2.770 20 5 FFBDHN CCOC(=O)c1ccnc(NC[C@H](C(C)C)N2CCCC2)c1[N+](=O)[O-] ZINC000133282056 509142351 /nfs/dbraw/zinc/14/23/51/509142351.db2.gz AQPQSSJSJSVYKP-CQSZACIVSA-N 0 3 350.419 2.699 20 5 FFBDHN CNC(=O)c1ccc(N(CCN(C)C)Cc2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000162213217 509176231 /nfs/dbraw/zinc/17/62/31/509176231.db2.gz FPVPSSUTEYPUQX-UHFFFAOYSA-N 0 3 370.453 2.831 20 5 FFBDHN COc1ccc(OCCN2CC[C@@]3(O)CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000247957710 509199521 /nfs/dbraw/zinc/19/95/21/509199521.db2.gz FTHQDDXZLQILOV-KSSFIOAISA-N 0 3 350.415 2.609 20 5 FFBDHN O=C(NCc1ccc2c(c1)CNC2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000188665270 509201922 /nfs/dbraw/zinc/20/19/22/509201922.db2.gz RLCYUTJPZPVBFA-UHFFFAOYSA-N 0 3 352.394 2.702 20 5 FFBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc3c(c2)CNC3)cc1OC ZINC000188675754 509206625 /nfs/dbraw/zinc/20/66/25/509206625.db2.gz UCCFPOYPDRMAEN-UHFFFAOYSA-N 0 3 371.393 2.535 20 5 FFBDHN CCN1CCC[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000162384968 509214082 /nfs/dbraw/zinc/21/40/82/509214082.db2.gz NDNFWGFRLLAYQQ-LBPRGKRZSA-N 0 3 356.220 2.571 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@]3(O)CCOC3)o2)c(Cl)c1 ZINC000179028943 509231027 /nfs/dbraw/zinc/23/10/27/509231027.db2.gz KYISGHRLIQBLDA-INIZCTEOSA-N 0 3 352.774 2.749 20 5 FFBDHN COc1cccc(NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000185644318 509282172 /nfs/dbraw/zinc/28/21/72/509282172.db2.gz LQSIKEJQBMTIQD-HZPDHXFCSA-N 0 3 357.410 2.651 20 5 FFBDHN CCO[C@@H]1C[C@H](N(C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000248457199 509329751 /nfs/dbraw/zinc/32/97/51/509329751.db2.gz MEMCCIZYMURHED-FHLIZLRMSA-N 0 3 364.442 2.614 20 5 FFBDHN C[C@@H](CCN1CCN(C)CC1)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000185879957 509403130 /nfs/dbraw/zinc/40/31/30/509403130.db2.gz QKTJFRLFXVORCM-INIZCTEOSA-N 0 3 372.469 2.970 20 5 FFBDHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cccc(OC(F)F)c1 ZINC000179575867 509520642 /nfs/dbraw/zinc/52/06/42/509520642.db2.gz HBKIRWFAJAVENU-LLVKDONJSA-N 0 3 353.325 2.709 20 5 FFBDHN C[C@@H](NC[C@@H](O)CN1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000173315896 509527074 /nfs/dbraw/zinc/52/70/74/509527074.db2.gz ONUBAVLLWQOWCN-FOIQADDNSA-N 0 3 355.438 2.665 20 5 FFBDHN CCC[C@H](NC[C@@H]1COC2(CCOCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000179975671 509696107 /nfs/dbraw/zinc/69/61/07/509696107.db2.gz ATUMQFLTBIXKRK-SJORKVTESA-N 0 3 350.415 2.948 20 5 FFBDHN CCC[C@H](NC[C@H]1COC2(CCOCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000179975701 509696317 /nfs/dbraw/zinc/69/63/17/509696317.db2.gz ATUMQFLTBIXKRK-IRXDYDNUSA-N 0 3 350.415 2.948 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176850985 509725219 /nfs/dbraw/zinc/72/52/19/509725219.db2.gz RIKKJQFQADYVOD-OAHLLOKOSA-N 0 3 368.437 2.914 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CN1C1CC1 ZINC000268040709 509729633 /nfs/dbraw/zinc/72/96/33/509729633.db2.gz XYWBBGDLFRDMIF-GXSJLCMTSA-N 0 3 357.332 2.969 20 5 FFBDHN CC1CCN(CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000176986106 509801750 /nfs/dbraw/zinc/80/17/50/509801750.db2.gz KIZXFSJBZAFWKP-UHFFFAOYSA-N 0 3 370.247 2.819 20 5 FFBDHN C[C@H]1C[C@H](N(C)C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCN1C ZINC000268186526 509803285 /nfs/dbraw/zinc/80/32/85/509803285.db2.gz WCQPBZVYHTYZJF-WCQYABFASA-N 0 3 354.838 2.872 20 5 FFBDHN COCCN1CC[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000264985394 509810099 /nfs/dbraw/zinc/81/00/99/509810099.db2.gz VLNOGQRGMUTFJQ-CQSZACIVSA-N 0 3 362.455 2.529 20 5 FFBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCNC[C@@H]1c1cccnc1 ZINC000261655575 510015080 /nfs/dbraw/zinc/01/50/80/510015080.db2.gz GQPAXMHWXSDMSF-GOSISDBHSA-N 0 3 356.426 2.924 20 5 FFBDHN CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268682209 510069131 /nfs/dbraw/zinc/06/91/31/510069131.db2.gz GPLYSJFQHQXKNN-MRXNPFEDSA-N 0 3 354.410 2.524 20 5 FFBDHN CCc1n[nH]c(C(=O)NC2CCN(Cc3ccccc3C)CC2)c1[N+](=O)[O-] ZINC000171400223 510132975 /nfs/dbraw/zinc/13/29/75/510132975.db2.gz ZLFGWKXQDXKZRM-UHFFFAOYSA-N 0 3 371.441 2.583 20 5 FFBDHN O=C(NCc1ccccc1[N+](=O)[O-])NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000194000672 510169193 /nfs/dbraw/zinc/16/91/93/510169193.db2.gz HMUZJVNRKHJTDO-KRWDZBQOSA-N 0 3 368.437 2.916 20 5 FFBDHN O=[N+]([O-])c1ccccc1OCCN(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000245995773 510242208 /nfs/dbraw/zinc/24/22/08/510242208.db2.gz XNJRZFVBNBUUJQ-LSDHHAIUSA-N 0 3 352.456 2.960 20 5 FFBDHN O=C(NC[C@H]1NCCc2ccccc21)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000262375905 510260329 /nfs/dbraw/zinc/26/03/29/510260329.db2.gz MICNFZXYKZDNGT-GOSISDBHSA-N 0 3 366.421 2.786 20 5 FFBDHN COc1ccc2oc([C@@H](C)NC[C@@H](O)Cn3cc([N+](=O)[O-])cn3)c(C)c2c1 ZINC000184321265 510260983 /nfs/dbraw/zinc/26/09/83/510260983.db2.gz MDVIGQAYQUULTP-TZMCWYRMSA-N 0 3 374.397 2.566 20 5 FFBDHN COc1cc(C(=O)Nc2ccc3c(c2)CNCC3)c([N+](=O)[O-])cc1OC ZINC000269205126 510289123 /nfs/dbraw/zinc/28/91/23/510289123.db2.gz LQMPPZZLBMFDMD-UHFFFAOYSA-N 0 3 357.366 2.510 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269365562 510364377 /nfs/dbraw/zinc/36/43/77/510364377.db2.gz VKFZTWSXKWUKKC-UGSOOPFHSA-N 0 3 358.442 2.752 20 5 FFBDHN CCCc1n[nH]c(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000194743675 510506830 /nfs/dbraw/zinc/50/68/30/510506830.db2.gz SJMPABXXHKAJSH-HNNXBMFYSA-N 0 3 371.441 2.522 20 5 FFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)[C@@H](C)C1 ZINC000246494921 510519185 /nfs/dbraw/zinc/51/91/85/510519185.db2.gz XMICXBFCERNSMY-BBRMVZONSA-N 0 3 369.487 2.562 20 5 FFBDHN CCC[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000181682783 510537889 /nfs/dbraw/zinc/53/78/89/510537889.db2.gz MTPYENGVQAPQQU-XJKSGUPXSA-N 0 3 354.357 2.561 20 5 FFBDHN O=C1OCCN1CCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000172118454 510551408 /nfs/dbraw/zinc/55/14/08/510551408.db2.gz NEMKXNJLUMKUQX-UHFFFAOYSA-N 0 3 362.411 2.650 20 5 FFBDHN CC[C@@H]1CCCCN1CCNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000172153985 510573072 /nfs/dbraw/zinc/57/30/72/510573072.db2.gz LARCQZWETCNAAC-OAHLLOKOSA-N 0 3 364.446 2.667 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H]2c2ccccc2Cl)c1 ZINC000246702122 510625144 /nfs/dbraw/zinc/62/51/44/510625144.db2.gz JPGQVJPDOLUNSU-CZUORRHYSA-N 0 3 350.806 2.643 20 5 FFBDHN C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCN1C ZINC000182146698 510780375 /nfs/dbraw/zinc/78/03/75/510780375.db2.gz VMXLGUQQEITABK-GHMZBOCLSA-N 0 3 357.357 2.751 20 5 FFBDHN CCN(Cc1ccc(OC)cc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182215000 510816966 /nfs/dbraw/zinc/81/69/66/510816966.db2.gz ZEGQJCDPXCJBQH-INIZCTEOSA-N 0 3 360.410 2.865 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000247050258 510817164 /nfs/dbraw/zinc/81/71/64/510817164.db2.gz ZHNLQPAYZDKSIC-KXBFYZLASA-N 0 3 372.469 2.790 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCCN(c2ccccc2)CC1 ZINC000182219133 510819837 /nfs/dbraw/zinc/81/98/37/510819837.db2.gz OBLXXASTNBMIGX-SFHVURJKSA-N 0 3 371.437 2.547 20 5 FFBDHN COc1cc(C(=O)N[C@@H](C)CN2CCCCCC2)c([N+](=O)[O-])cc1OC ZINC000185412096 510838461 /nfs/dbraw/zinc/83/84/61/510838461.db2.gz QKTPCIWRXUNLBY-ZDUSSCGKSA-N 0 3 365.430 2.606 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000360775428 510946476 /nfs/dbraw/zinc/94/64/76/510946476.db2.gz GNSDTJYWFUZJJO-KRWDZBQOSA-N 0 3 368.437 2.940 20 5 FFBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCCc2nn(C)cc21 ZINC000282421204 510970024 /nfs/dbraw/zinc/97/00/24/510970024.db2.gz LTKNAZFOEWYDFV-WBMJQRKESA-N 0 3 357.414 2.713 20 5 FFBDHN CC(C)(CCC(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1)[N+](=O)[O-] ZINC000294340243 511031952 /nfs/dbraw/zinc/03/19/52/511031952.db2.gz AOIXVCSUJIAHBW-UHFFFAOYSA-N 0 3 374.485 2.993 20 5 FFBDHN COc1cc(C(=O)N(C)[C@H](C)C2CCN(C)CC2)c([N+](=O)[O-])cc1F ZINC000297707990 511041142 /nfs/dbraw/zinc/04/11/42/511041142.db2.gz HYOLJKWHMYFYCE-LLVKDONJSA-N 0 3 353.394 2.545 20 5 FFBDHN C[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)NCCF ZINC000282615855 511047359 /nfs/dbraw/zinc/04/73/59/511047359.db2.gz IPSBOFRLUOPQBV-LLVKDONJSA-N 0 3 351.403 2.887 20 5 FFBDHN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CC[C@@H](N2CCCCC2)C1 ZINC000294716833 511152923 /nfs/dbraw/zinc/15/29/23/511152923.db2.gz UTQNQXRTURRYCX-MRXNPFEDSA-N 0 3 369.425 2.685 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H](CO)c1ccccc1 ZINC000298045074 511155800 /nfs/dbraw/zinc/15/58/00/511155800.db2.gz HEJVMRZYQBOYAW-KRWDZBQOSA-N 0 3 373.409 2.597 20 5 FFBDHN CS[C@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1N1CCCC1 ZINC000295018216 511254452 /nfs/dbraw/zinc/25/44/52/511254452.db2.gz UNALQMSNDLOELQ-GJZGRUSLSA-N 0 3 369.874 2.900 20 5 FFBDHN C[C@@H]1CN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000291616622 511269285 /nfs/dbraw/zinc/26/92/85/511269285.db2.gz AJXJMKCIKOYVFY-AWEZNQCLSA-N 0 3 372.469 2.798 20 5 FFBDHN C[C@@H](NCCOc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CC(=O)N2C ZINC000271762066 511314593 /nfs/dbraw/zinc/31/45/93/511314593.db2.gz BCKLSZPBLSZGPC-CYBMUJFWSA-N 0 3 355.394 2.843 20 5 FFBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295279728 511347118 /nfs/dbraw/zinc/34/71/18/511347118.db2.gz MMZASSDKJTWKGT-RHSMWYFYSA-N 0 3 359.426 2.643 20 5 FFBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295279734 511347757 /nfs/dbraw/zinc/34/77/57/511347757.db2.gz MMZASSDKJTWKGT-YOEHRIQHSA-N 0 3 359.426 2.643 20 5 FFBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000272213910 511467396 /nfs/dbraw/zinc/46/73/96/511467396.db2.gz SBUYWYZAJATLRG-CYBMUJFWSA-N 0 3 358.442 2.807 20 5 FFBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cc2ccccc2c2cccnc12 ZINC000363377100 511512932 /nfs/dbraw/zinc/51/29/32/511512932.db2.gz WRKNZRAVCLNKJA-IRXDYDNUSA-N 0 3 361.445 2.981 20 5 FFBDHN CN1CC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C2)C1 ZINC000292311927 511547662 /nfs/dbraw/zinc/54/76/62/511547662.db2.gz SKVVPGMCDNOORA-OAHLLOKOSA-N 0 3 357.332 2.781 20 5 FFBDHN CC1(C)[C@H](NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]2CCO[C@@H]21 ZINC000296144134 511634198 /nfs/dbraw/zinc/63/41/98/511634198.db2.gz JTZHZDILNPLYHR-KMUNFCNLSA-N 0 3 353.806 2.590 20 5 FFBDHN CC1(C)[C@H](NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]2CCO[C@@H]21 ZINC000296144139 511634373 /nfs/dbraw/zinc/63/43/73/511634373.db2.gz JTZHZDILNPLYHR-VQISRLSMSA-N 0 3 353.806 2.590 20 5 FFBDHN COC(=O)[C@@H]1CCO[C@H]1C1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000292694339 511688573 /nfs/dbraw/zinc/68/85/73/511688573.db2.gz BSPGCOYBXNANFI-LRSLKPCPSA-N 0 3 374.437 2.898 20 5 FFBDHN O=C(CCN1CC[C@@H](OCc2ccncc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000281043396 511699180 /nfs/dbraw/zinc/69/91/80/511699180.db2.gz QEYIEJWWPNPIKL-MRXNPFEDSA-N 0 3 370.409 2.610 20 5 FFBDHN CN1CC[C@@H]2OCCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@H]2C1 ZINC000284521963 511757166 /nfs/dbraw/zinc/75/71/66/511757166.db2.gz FPXOQCPTWFDTIP-HKUYNNGSSA-N 0 3 357.410 2.760 20 5 FFBDHN CN1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[C@H]1c1cccs1 ZINC000366141312 511864485 /nfs/dbraw/zinc/86/44/85/511864485.db2.gz BHVPSNVEHBNFQX-WBMJQRKESA-N 0 3 360.439 2.864 20 5 FFBDHN CCOc1ccc([C@H](C)NCCCOCCOCCOC)cc1[N+](=O)[O-] ZINC000274537418 511867508 /nfs/dbraw/zinc/86/75/08/511867508.db2.gz BKHRQIOSESGAHR-HNNXBMFYSA-N 0 3 370.446 2.714 20 5 FFBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NCc1cccc(N2CCOCC2)n1 ZINC000274780450 511940397 /nfs/dbraw/zinc/94/03/97/511940397.db2.gz KRZBYACLWUSTQI-INIZCTEOSA-N 0 3 370.453 2.937 20 5 FFBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(C[C@H]4CCCCO4)CC3)nc2c1 ZINC000274824556 511954374 /nfs/dbraw/zinc/95/43/74/511954374.db2.gz KQJHGHPFOOBCLE-OAHLLOKOSA-N 0 3 359.430 2.552 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000297042673 511997801 /nfs/dbraw/zinc/99/78/01/511997801.db2.gz XINYSGHIUFKYOF-CYBMUJFWSA-N 0 3 362.430 2.942 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(CC(=O)NCC(C)(C)N2CCCCC2)c1F ZINC000411140422 512486115 /nfs/dbraw/zinc/48/61/15/512486115.db2.gz DHUPTNFNEIZTBS-UHFFFAOYSA-N 0 3 367.421 2.666 20 5 FFBDHN O=c1[nH]c2ccccc2cc1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369680960 512551174 /nfs/dbraw/zinc/55/11/74/512551174.db2.gz GNFIQKZTUYTZEK-UHFFFAOYSA-N 0 3 353.382 2.882 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(c2c[nH]cn2)CC1 ZINC000374210100 512708030 /nfs/dbraw/zinc/70/80/30/512708030.db2.gz FDSZNGCIYJYBHE-UHFFFAOYSA-N 0 3 357.414 2.835 20 5 FFBDHN COC(=O)c1cc(C)nc(N2CCCC[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000376207066 512709717 /nfs/dbraw/zinc/70/97/17/512709717.db2.gz BFCGZUWDBOWWEK-AWEZNQCLSA-N 0 3 362.430 2.540 20 5 FFBDHN C[C@@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000370446381 512939439 /nfs/dbraw/zinc/93/94/39/512939439.db2.gz CYYYSMVSIASOJN-CRAIPNDOSA-N 0 3 369.469 2.605 20 5 FFBDHN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H](N2CCCC2)C1 ZINC000372616824 512971152 /nfs/dbraw/zinc/97/11/52/512971152.db2.gz FJLPECHTZNHDEG-OCCSQVGLSA-N 0 3 366.849 2.745 20 5 FFBDHN C[C@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000450411860 513182751 /nfs/dbraw/zinc/18/27/51/513182751.db2.gz OGXLDJGAZZZFAD-MAUKXSAKSA-N 0 3 369.469 2.605 20 5 FFBDHN C[C@H](CO)N1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000450473248 513210897 /nfs/dbraw/zinc/21/08/97/513210897.db2.gz HCESENCPFFJIIK-CYBMUJFWSA-N 0 3 362.455 2.611 20 5 FFBDHN CC(C)N(CCN(C)C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000440217474 513275477 /nfs/dbraw/zinc/27/54/77/513275477.db2.gz PAJFHGRVMKDEGR-UHFFFAOYSA-N 0 3 350.463 2.899 20 5 FFBDHN O=[N+]([O-])c1cc(Br)ccc1NC[C@@H]1CCCCN1CCO ZINC000450621486 513276261 /nfs/dbraw/zinc/27/62/61/513276261.db2.gz XFDFUPWJPNPLGP-LBPRGKRZSA-N 0 3 358.236 2.616 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc([C@H](C)[NH3+])cc2)c1C ZINC000440420227 513317426 /nfs/dbraw/zinc/31/74/26/513317426.db2.gz LVVSWAIPMXXLOJ-ZDUSSCGKSA-N 0 3 363.439 2.710 20 5 FFBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)C[C@H]1CCCN1C ZINC000421704665 513376633 /nfs/dbraw/zinc/37/66/33/513376633.db2.gz PJQANXNNQIGJQR-DGCLKSJQSA-N 0 3 355.822 2.568 20 5 FFBDHN Cc1cc(N[C@@H]2CCO[C@@H](c3nccn3C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000450947090 513419803 /nfs/dbraw/zinc/41/98/03/513419803.db2.gz AZJSZMFNLJGMHB-FZKQIMNGSA-N 0 3 367.409 2.939 20 5 FFBDHN CCN1CCN(C[C@H](C)CNc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413085452 513434871 /nfs/dbraw/zinc/43/48/71/513434871.db2.gz WEPYSDADGGXABC-OAHLLOKOSA-N 0 3 357.458 2.829 20 5 FFBDHN COc1ccc(-c2ccc(CN3CC[C@]4(CNC(=O)C4)C3)o2)c([N+](=O)[O-])c1 ZINC000435048430 513498099 /nfs/dbraw/zinc/49/80/99/513498099.db2.gz AMLSOBYTJFPOSE-IBGZPJMESA-N 0 3 371.393 2.575 20 5 FFBDHN CN(C)CCN(Cc1ccc(F)cc1F)c1ncc([N+](=O)[O-])cc1F ZINC000413192052 513510919 /nfs/dbraw/zinc/51/09/19/513510919.db2.gz MNGILQKAJXHQAA-UHFFFAOYSA-N 0 3 354.332 2.975 20 5 FFBDHN CN(C(=O)CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000447587029 513515338 /nfs/dbraw/zinc/51/53/38/513515338.db2.gz OEZGNTNSYBAUER-JKSUJKDBSA-N 0 3 363.462 2.656 20 5 FFBDHN O=[N+]([O-])c1ccc(CN[C@H](C2CCOCC2)C2(CO)CCC2)c(F)c1 ZINC000425371054 513533643 /nfs/dbraw/zinc/53/36/43/513533643.db2.gz KIKDTHNFMLIFDQ-QGZVFWFLSA-N 0 3 352.406 2.781 20 5 FFBDHN C[C@@H](CN1CCCCC1)Nc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000447807175 513576443 /nfs/dbraw/zinc/57/64/43/513576443.db2.gz QHCFQLMAPRQVRJ-INIZCTEOSA-N 0 3 362.474 2.713 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@@H]3[C@H]3CCC[C@H]3O)n2)c1 ZINC000451420464 513739758 /nfs/dbraw/zinc/73/97/58/513739758.db2.gz PAHHYBSWNYBGRH-BZUAXINKSA-N 0 3 358.398 2.770 20 5 FFBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H]2[C@@H](C)[C@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451502474 513794280 /nfs/dbraw/zinc/79/42/80/513794280.db2.gz PXCNBQCXMLHESJ-CJTUPEFNSA-N 0 3 365.430 2.580 20 5 FFBDHN O=[N+]([O-])c1ccc([C@H]2CCCN(C[C@@H](O)COCC(F)(F)F)C2)cc1 ZINC000451554151 513830541 /nfs/dbraw/zinc/83/05/41/513830541.db2.gz ZKCUFNCSFVKVHZ-DZGCQCFKSA-N 0 3 362.348 2.714 20 5 FFBDHN CN(C)[C@@H]1CCCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436337503 513831949 /nfs/dbraw/zinc/83/19/49/513831949.db2.gz FKJQFKANFNDZAI-CYBMUJFWSA-N 0 3 367.424 2.987 20 5 FFBDHN C[C@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1C ZINC000448697171 513850734 /nfs/dbraw/zinc/85/07/34/513850734.db2.gz LFKBBLCFFQQHBF-HUUCEWRRSA-N 0 3 361.442 2.937 20 5 FFBDHN CN(C)CCOc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000413901719 513872293 /nfs/dbraw/zinc/87/22/93/513872293.db2.gz NKMPIQQJZHUUEO-UHFFFAOYSA-N 0 3 361.373 2.856 20 5 FFBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1cccnc1N1CCOCC1 ZINC000449078046 514064021 /nfs/dbraw/zinc/06/40/21/514064021.db2.gz TZYFARFBWJJVHV-OAHLLOKOSA-N 0 3 356.426 2.547 20 5 FFBDHN NCc1cn([C@H]2CCCN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C2)nn1 ZINC000420277248 514068473 /nfs/dbraw/zinc/06/84/73/514068473.db2.gz HQIFAWKMQMEGRM-NSHDSACASA-N 0 3 371.228 2.793 20 5 FFBDHN COc1cccc(N2C[C@@H](N[C@H](C)Cc3ccccc3[N+](=O)[O-])CC2=O)c1 ZINC000449110260 514075973 /nfs/dbraw/zinc/07/59/73/514075973.db2.gz BRRWLFVNNSTCAO-ZBFHGGJFSA-N 0 3 369.421 2.930 20 5 FFBDHN CC1(C)CCCN[C@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000423226386 514084601 /nfs/dbraw/zinc/08/46/01/514084601.db2.gz QNDFRCJDSNDDQW-KRWDZBQOSA-N 0 3 361.442 2.743 20 5 FFBDHN COC(=O)[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC000452005159 514129764 /nfs/dbraw/zinc/12/97/64/514129764.db2.gz LQKWGCLBVUYQAA-SJORKVTESA-N 0 3 370.405 2.862 20 5 FFBDHN O=C1C[C@@H](CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CN1 ZINC000414484165 514145203 /nfs/dbraw/zinc/14/52/03/514145203.db2.gz NWBXWDFMGURHRR-ZDUSSCGKSA-N 0 3 359.357 2.752 20 5 FFBDHN COC(=O)[C@@]1(C)CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000414563246 514182720 /nfs/dbraw/zinc/18/27/20/514182720.db2.gz VVMLGXHCRAQVRJ-IBGZPJMESA-N 0 3 372.425 2.770 20 5 FFBDHN COC(=O)COc1ccc(CNCC(C)(C)c2cccnc2)cc1[N+](=O)[O-] ZINC000414566006 514183249 /nfs/dbraw/zinc/18/32/49/514183249.db2.gz ZYQIDPUJZTUTKJ-UHFFFAOYSA-N 0 3 373.409 2.609 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3CCCN3CCCO)o2)cc1 ZINC000449390471 514191058 /nfs/dbraw/zinc/19/10/58/514191058.db2.gz WFDPOEKBVPIVRO-KRWDZBQOSA-N 0 3 359.426 2.791 20 5 FFBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H]2CCCN(CCCO)C2)o1 ZINC000449398520 514197711 /nfs/dbraw/zinc/19/77/11/514197711.db2.gz VHMZHCKLDVEBIJ-OAHLLOKOSA-N 0 3 359.426 2.791 20 5 FFBDHN CCC1(CNCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])COC1 ZINC000449596536 514265922 /nfs/dbraw/zinc/26/59/22/514265922.db2.gz BTEUFBLABKGYBH-UHFFFAOYSA-N 0 3 360.357 2.764 20 5 FFBDHN C[C@@]1(F)CNCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000414767408 514281903 /nfs/dbraw/zinc/28/19/03/514281903.db2.gz FZOVRJPVBKNZIK-MRXNPFEDSA-N 0 3 350.419 2.852 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000444909728 514366389 /nfs/dbraw/zinc/36/63/89/514366389.db2.gz ZIDPMVZZIGIGJF-CHWSQXEVSA-N 0 3 350.419 2.988 20 5 FFBDHN CN1CCNC[C@@H]1CNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414966835 514379655 /nfs/dbraw/zinc/37/96/55/514379655.db2.gz ANGWDKUAPJGLKT-MRXNPFEDSA-N 0 3 374.416 2.519 20 5 FFBDHN CCc1ccccc1[C@H](N)CNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000415063437 514422832 /nfs/dbraw/zinc/42/28/32/514422832.db2.gz IALDYGYZRGTPOJ-MRXNPFEDSA-N 0 3 359.426 2.964 20 5 FFBDHN COc1cc(C(=O)N[C@H]2CCN(CC3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000449982410 514452064 /nfs/dbraw/zinc/45/20/64/514452064.db2.gz SZQPWQXHAHIOHM-ZDUSSCGKSA-N 0 3 365.405 2.737 20 5 FFBDHN CN(C[C@@H]1CCCN1C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000421101376 514483933 /nfs/dbraw/zinc/48/39/33/514483933.db2.gz VUWRVKUQEUSOKA-NSHDSACASA-N 0 3 358.345 2.754 20 5 FFBDHN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475315402 514616013 /nfs/dbraw/zinc/61/60/13/514616013.db2.gz XBYYLFOAOAOFBX-LJQANCHMSA-N 0 3 353.422 2.870 20 5 FFBDHN COC(=O)COc1ccc(CN2CCC[C@](C)(OC)CC2)cc1[N+](=O)[O-] ZINC000475559685 514714609 /nfs/dbraw/zinc/71/46/09/514714609.db2.gz FHARAVZLUXNTMO-SFHVURJKSA-N 0 3 366.414 2.538 20 5 FFBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000508344528 514748528 /nfs/dbraw/zinc/74/85/28/514748528.db2.gz QWLLNOZHKWMIGO-CABCVRRESA-N 0 3 371.441 2.631 20 5 FFBDHN COc1ccc(OCCN2CCC[C@@]3(CCCOC3)C2)c([N+](=O)[O-])c1 ZINC000475746816 514792096 /nfs/dbraw/zinc/79/20/96/514792096.db2.gz HIUNZXXWIGUCET-GOSISDBHSA-N 0 3 350.415 2.875 20 5 FFBDHN O=[N+]([O-])c1ccc(CNC[C@H](CO)Cc2ccc(F)c(F)c2)c(F)c1 ZINC000480452982 514964566 /nfs/dbraw/zinc/96/45/66/514964566.db2.gz JBZVTKSTWIRFPS-GFCCVEGCSA-N 0 3 354.328 2.953 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462491878 515082968 /nfs/dbraw/zinc/08/29/68/515082968.db2.gz SQHTYXHIMIPMHF-WMLDXEAASA-N 0 3 368.437 2.885 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000467709058 515087594 /nfs/dbraw/zinc/08/75/94/515087594.db2.gz PCGGWMPECNXEMH-COPLHBTASA-N 0 3 367.833 2.614 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H](C)C2CCN(C)CC2)c1C ZINC000498879569 515099245 /nfs/dbraw/zinc/09/92/45/515099245.db2.gz GLARBXILOHUKAT-AWEZNQCLSA-N 0 3 369.487 2.562 20 5 FFBDHN CCN1CCN(c2ccc(CN[C@H](C)c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000467840733 515143180 /nfs/dbraw/zinc/14/31/80/515143180.db2.gz WOLKFYHFNDLPMO-MRXNPFEDSA-N 0 3 369.469 2.983 20 5 FFBDHN C[C@H](NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000467849779 515146655 /nfs/dbraw/zinc/14/66/55/515146655.db2.gz IRKZSXCAQWFDJD-JXFKEZNVSA-N 0 3 355.438 2.882 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)CCN(C(C)C)C(C)C)cc1C ZINC000504010348 515197222 /nfs/dbraw/zinc/19/72/22/515197222.db2.gz VBZJWTUTFSPRRP-UHFFFAOYSA-N 0 3 371.503 2.951 20 5 FFBDHN C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CCCN1C ZINC000462701951 515198443 /nfs/dbraw/zinc/19/84/43/515198443.db2.gz PEYSKMCVWKYGFH-GDBMZVCRSA-N 0 3 356.426 2.885 20 5 FFBDHN CC(C)O[C@H]1C[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000462848963 515268744 /nfs/dbraw/zinc/26/87/44/515268744.db2.gz ZMIJIRSSKRPLCH-HOTGVXAUSA-N 0 3 370.471 2.550 20 5 FFBDHN CCc1cc(N[C@H]2CCN(C)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000462885085 515281801 /nfs/dbraw/zinc/28/18/01/515281801.db2.gz TWJLISKVLYLTLJ-BBRMVZONSA-N 0 3 355.442 2.931 20 5 FFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000481388076 515310809 /nfs/dbraw/zinc/31/08/09/515310809.db2.gz CNZRFEKFJSZRIW-LSDHHAIUSA-N 0 3 369.487 2.705 20 5 FFBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000468480488 515379280 /nfs/dbraw/zinc/37/92/80/515379280.db2.gz UPAMTZUADXTMFZ-OAHLLOKOSA-N 0 3 351.472 2.924 20 5 FFBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCC(=O)NCc1cccnc1 ZINC000468625482 515443743 /nfs/dbraw/zinc/44/37/43/515443743.db2.gz PUCLNPOUWNCLPV-GDNBJRDFSA-N 0 3 354.410 2.689 20 5 FFBDHN Cc1cc(C)c(S(=O)(=O)NCCCN2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000493442881 515633696 /nfs/dbraw/zinc/63/36/96/515633696.db2.gz PTAYUSBRBXGFGD-HNNXBMFYSA-N 0 3 369.487 2.754 20 5 FFBDHN Cc1ccc(C)c(S(=O)(=O)NCC2(N(C)C)CCCCC2)c1[N+](=O)[O-] ZINC000478152707 515719188 /nfs/dbraw/zinc/71/91/88/515719188.db2.gz ANSXTVHADMJCER-UHFFFAOYSA-N 0 3 369.487 2.754 20 5 FFBDHN CN(C)CCN(Cc1ccccn1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000500750312 515841029 /nfs/dbraw/zinc/84/10/29/515841029.db2.gz OMQDYZOFVBCUJE-UHFFFAOYSA-N 0 3 362.817 2.847 20 5 FFBDHN CCC1(CC)CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCS1 ZINC000464581336 515883415 /nfs/dbraw/zinc/88/34/15/515883415.db2.gz ODWVUNFRCKLIGN-CQSZACIVSA-N 0 3 354.472 2.942 20 5 FFBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000511531532 515936637 /nfs/dbraw/zinc/93/66/37/515936637.db2.gz ZCBCDKMMHDRFFJ-HOTGVXAUSA-N 0 3 362.474 2.899 20 5 FFBDHN COCCN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[C@H]1C ZINC000487959908 516052312 /nfs/dbraw/zinc/05/23/12/516052312.db2.gz SJHNMFFPFCZGFS-RHSMWYFYSA-N 0 3 361.442 2.621 20 5 FFBDHN Cc1ccc(NCCCNC(=O)[C@H](CN)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000479150216 516078597 /nfs/dbraw/zinc/07/85/97/516078597.db2.gz BCZJRFOGQFOQJV-MRXNPFEDSA-N 0 3 374.416 2.703 20 5 FFBDHN C[C@@H](CO)N1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000470131023 516133541 /nfs/dbraw/zinc/13/35/41/516133541.db2.gz FNZUCTSQALXPNM-HNNXBMFYSA-N 0 3 359.426 2.743 20 5 FFBDHN Cc1ccc(NCCCNC(=O)c2ccc3c(c2)CNC3)c([N+](=O)[O-])c1 ZINC000470361861 516219317 /nfs/dbraw/zinc/21/93/17/516219317.db2.gz LNMQPRASTHPTNS-UHFFFAOYSA-N 0 3 354.410 2.738 20 5 FFBDHN CN(CCNC(=O)NCCc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000465759847 516250205 /nfs/dbraw/zinc/25/02/05/516250205.db2.gz QXZOEVXHTPAXFX-UHFFFAOYSA-N 0 3 356.426 2.569 20 5 FFBDHN CCC[C@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CCN1CCOC ZINC000557609307 516333752 /nfs/dbraw/zinc/33/37/52/516333752.db2.gz DKYDPYPPCBYOIX-LBPRGKRZSA-N 0 3 365.459 2.537 20 5 FFBDHN CN(C)C(=O)C[C@@H](NCCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000561107720 516382640 /nfs/dbraw/zinc/38/26/40/516382640.db2.gz PEBYVBCRPUUERT-GOSISDBHSA-N 0 3 357.410 2.783 20 5 FFBDHN COc1ccc(CNC[C@@H](O)COc2cc(C)cc(C)c2)cc1[N+](=O)[O-] ZINC000550763584 516411234 /nfs/dbraw/zinc/41/12/34/516411234.db2.gz JZKGRNCTBOTOIB-MRXNPFEDSA-N 0 3 360.410 2.750 20 5 FFBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(Cc2ccccc2F)CC1 ZINC000535584401 516412527 /nfs/dbraw/zinc/41/25/27/516412527.db2.gz LONOSNJKGGPOEC-UHFFFAOYSA-N 0 3 359.401 2.850 20 5 FFBDHN CN(C)CCOc1cc(CNc2ccc3cc([N+](=O)[O-])ccc3n2)ccn1 ZINC000535688392 516450995 /nfs/dbraw/zinc/45/09/95/516450995.db2.gz SQLGFQQAFDPPOJ-UHFFFAOYSA-N 0 3 367.409 2.512 20 5 FFBDHN CCn1c(C)nc([N+](=O)[O-])c1N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000554680756 516583381 /nfs/dbraw/zinc/58/33/81/516583381.db2.gz KZKAWEUWMNIKJP-UHFFFAOYSA-N 0 3 367.400 2.966 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CN(CCN(C)C)Cc1ccccn1 ZINC000518440494 516659893 /nfs/dbraw/zinc/65/98/93/516659893.db2.gz WFSIDAJDCDDRGP-UHFFFAOYSA-N 0 3 358.442 2.952 20 5 FFBDHN O=[N+]([O-])c1cccc2ncnc(NCC3CCN(c4ccncc4)CC3)c21 ZINC000544395069 516740393 /nfs/dbraw/zinc/74/03/93/516740393.db2.gz FMCSXYJOIJQBCV-UHFFFAOYSA-N 0 3 364.409 2.683 20 5 FFBDHN COc1cccc(C[C@H]2CCCN2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000532484374 516999555 /nfs/dbraw/zinc/99/95/55/516999555.db2.gz SBZJHYPKCMVXKL-QGZVFWFLSA-N 0 3 369.421 2.909 20 5 FFBDHN COCCN(C)c1ccc(CN(C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000559071990 517067833 /nfs/dbraw/zinc/06/78/33/517067833.db2.gz NDXJMQNHKMAHLL-UHFFFAOYSA-N 0 3 358.442 2.747 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000525544406 517071430 /nfs/dbraw/zinc/07/14/30/517071430.db2.gz BZUZIZVFVOFGNC-DYEKYZERSA-N 0 3 369.849 2.957 20 5 FFBDHN C[C@H](Cc1cccs1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000514852780 517091051 /nfs/dbraw/zinc/09/10/51/517091051.db2.gz SAMCPJMZARWVIE-GFCCVEGCSA-N 0 3 354.453 2.651 20 5 FFBDHN C[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)N1CCc2ccccc2C1 ZINC000541577657 517122304 /nfs/dbraw/zinc/12/23/04/517122304.db2.gz FFOJMGUPJLXQGY-AWEZNQCLSA-N 0 3 363.421 2.819 20 5 FFBDHN COc1cc(C[C@@H](CO)CNCc2ccccc2[N+](=O)[O-])cc(OC)c1 ZINC000537311357 517139355 /nfs/dbraw/zinc/13/93/55/517139355.db2.gz OFJRAYSSYUVBKN-OAHLLOKOSA-N 0 3 360.410 2.553 20 5 FFBDHN CS[C@@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@H]1N1CCCC1 ZINC000519712387 517142565 /nfs/dbraw/zinc/14/25/65/517142565.db2.gz XXXWSIZSLDWJGQ-IAGOWNOFSA-N 0 3 362.499 2.885 20 5 FFBDHN COc1cc(C[C@@H](CO)CNCc2ccc([N+](=O)[O-])cc2C)cc(OC)c1 ZINC000541776023 517211673 /nfs/dbraw/zinc/21/16/73/517211673.db2.gz HGQHTVDDNOMANP-MRXNPFEDSA-N 0 3 374.437 2.861 20 5 FFBDHN CCOC(=O)c1ccc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000548825322 517236059 /nfs/dbraw/zinc/23/60/59/517236059.db2.gz KWLUMCMSCZINDU-UHFFFAOYSA-N 0 3 371.393 2.890 20 5 FFBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000526046917 517311444 /nfs/dbraw/zinc/31/14/44/517311444.db2.gz HGQUUPHZVPVQLI-NSBLKUNKSA-N 0 3 352.456 2.944 20 5 FFBDHN COc1ccc(NC(=O)NC[C@@H](C)N2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000542030230 517347110 /nfs/dbraw/zinc/34/71/10/517347110.db2.gz RGKFLFWBTVVKQR-QWHCGFSZSA-N 0 3 350.419 2.988 20 5 FFBDHN COc1ccc(COC[C@@H](O)CN[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000538279072 517538961 /nfs/dbraw/zinc/53/89/61/517538961.db2.gz ITTKLLJXGVNKKD-ZBFHGGJFSA-N 0 3 360.410 2.832 20 5 FFBDHN CN(C)CCOc1ccccc1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000521338487 517697425 /nfs/dbraw/zinc/69/74/25/517697425.db2.gz NUDQLSGXWAMRHC-UHFFFAOYSA-N 0 3 361.373 2.604 20 5 FFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000542744745 517714753 /nfs/dbraw/zinc/71/47/53/517714753.db2.gz IETPOWHUPMYGRC-ZFWWWQNUSA-N 0 3 369.487 2.562 20 5 FFBDHN CN(C)CCOc1cc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000560356087 517727601 /nfs/dbraw/zinc/72/76/01/517727601.db2.gz MMDBKLWYMIKTAK-UHFFFAOYSA-N 0 3 372.425 2.595 20 5 FFBDHN Cc1cccc(OC[C@H](C)NC[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000516562955 517745563 /nfs/dbraw/zinc/74/55/63/517745563.db2.gz KJGIAQZLALVFEY-RDJZCZTQSA-N 0 3 360.410 2.700 20 5 FFBDHN C[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC[C@@H](C)C1 ZINC000521533253 517765453 /nfs/dbraw/zinc/76/54/53/517765453.db2.gz SHXOTTZEGUEUEF-HUUCEWRRSA-N 0 3 358.442 2.786 20 5 FFBDHN Cc1cc([N+](=O)[O-])cnc1NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000553592604 517801210 /nfs/dbraw/zinc/80/12/10/517801210.db2.gz SOTJTYKJGJDHJI-UHFFFAOYSA-N 0 3 356.426 2.805 20 5 FFBDHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@H]1CN1CCCCC1 ZINC000516945696 517931755 /nfs/dbraw/zinc/93/17/55/517931755.db2.gz YZLNLAMJWHIXTA-ZDUSSCGKSA-N 0 3 367.396 2.892 20 5 FFBDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000539297229 517982531 /nfs/dbraw/zinc/98/25/31/517982531.db2.gz IBOBDBMMDNXKSC-OAHLLOKOSA-N 0 3 371.441 2.824 20 5 FFBDHN C[C@H]1CCCN(c2ccc(C(=O)NC[C@@H]3CCCN3C)cc2[N+](=O)[O-])C1 ZINC000517087425 518019563 /nfs/dbraw/zinc/01/95/63/518019563.db2.gz QETXPKMIUFXJHA-HOCLYGCPSA-N 0 3 360.458 2.655 20 5 FFBDHN O=C1C[C@]2(CN1)CCCN(Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000539821194 518168325 /nfs/dbraw/zinc/16/83/25/518168325.db2.gz MXMMNNVEKKKTTH-IBGZPJMESA-N 0 3 355.394 2.957 20 5 FFBDHN CCN(C[C@@H]1CCCN1CC)C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000569674769 518231975 /nfs/dbraw/zinc/23/19/75/518231975.db2.gz WGHVZNHPQUFWPF-LBPRGKRZSA-N 0 3 353.394 2.689 20 5 FFBDHN COc1ccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000584287054 518265349 /nfs/dbraw/zinc/26/53/49/518265349.db2.gz SAOZTIUFQVAHPJ-CQSZACIVSA-N 0 3 366.801 2.786 20 5 FFBDHN Cc1ccc(CN2CC[C@@H](CN(C)C(=O)c3cc([N+](=O)[O-])c[nH]3)C2)s1 ZINC000584372675 518307898 /nfs/dbraw/zinc/30/78/98/518307898.db2.gz GIEQXMFBDUEKGH-ZDUSSCGKSA-N 0 3 362.455 2.887 20 5 FFBDHN COc1cccc([N+](=O)[O-])c1NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000578765970 518363797 /nfs/dbraw/zinc/36/37/97/518363797.db2.gz UWGSYRTUIVVZBG-UHFFFAOYSA-N 0 3 372.425 2.507 20 5 FFBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCCN(CC2CCC2)CC1 ZINC000572820127 518375810 /nfs/dbraw/zinc/37/58/10/518375810.db2.gz PJGDCDUFZFQHAK-UHFFFAOYSA-N 0 3 370.453 2.884 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1 ZINC000572870144 518400137 /nfs/dbraw/zinc/40/01/37/518400137.db2.gz DDBDRCMXQDIIGS-RRFJBIMHSA-N 0 3 352.456 2.927 20 5 FFBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000581894484 518490363 /nfs/dbraw/zinc/49/03/63/518490363.db2.gz VBEIHIKPVRPOFO-MLGOLLRUSA-N 0 3 358.419 2.743 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H]2[C@@H]3c4ccccc4C[C@H]23)cc1 ZINC000576339439 518544210 /nfs/dbraw/zinc/54/42/10/518544210.db2.gz OVOHSBHBQSPINI-GUDVDZBRSA-N 0 3 372.446 2.544 20 5 FFBDHN NC[C@H]1c2ccccc2CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000567502339 518557936 /nfs/dbraw/zinc/55/79/36/518557936.db2.gz HWBMIJKGBLMANK-KRWDZBQOSA-N 0 3 374.828 2.745 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@H](c2ccc(F)cc2)C1 ZINC000567541546 518575162 /nfs/dbraw/zinc/57/51/62/518575162.db2.gz FDDPGRFOINMXNQ-DOTOQJQBSA-N 0 3 360.385 2.963 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CNCCc1ccc3c[nH]nc3c1)OCCO2 ZINC000585743485 518581761 /nfs/dbraw/zinc/58/17/61/518581761.db2.gz ZXZMDQHNFJNNHA-UHFFFAOYSA-N 0 3 354.366 2.575 20 5 FFBDHN CN(C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1ccc(Cl)cc1 ZINC000576414766 518582868 /nfs/dbraw/zinc/58/28/68/518582868.db2.gz QDNRVXXWTGMRJE-CQSZACIVSA-N 0 3 350.806 2.619 20 5 FFBDHN C[C@@H](COc1cccc(F)c1)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570675624 518726330 /nfs/dbraw/zinc/72/63/30/518726330.db2.gz PRYOFAGWJFRLKP-DZGCQCFKSA-N 0 3 364.373 2.531 20 5 FFBDHN C[C@@H](Cn1ncc2ccccc2c1=O)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582430561 518750873 /nfs/dbraw/zinc/75/08/73/518750873.db2.gz APEDBVOPAMMAQO-UGSOOPFHSA-N 0 3 364.405 2.970 20 5 FFBDHN N[C@@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000567882082 518764725 /nfs/dbraw/zinc/76/47/25/518764725.db2.gz CWXFPXUOOWRHRB-KRWDZBQOSA-N 0 3 368.437 2.627 20 5 FFBDHN C[C@]1(NC(=O)Cc2ccccc2[N+](=O)[O-])CCN(Cc2ccccc2)C1 ZINC000565063701 518770034 /nfs/dbraw/zinc/77/00/34/518770034.db2.gz DXECCKJDSVIROV-FQEVSTJZSA-N 0 3 353.422 2.918 20 5 FFBDHN O=C(CCNCCOc1ncccc1Cl)Nc1ccccc1[N+](=O)[O-] ZINC000570837627 518805035 /nfs/dbraw/zinc/80/50/35/518805035.db2.gz VPTZICNLQIWODH-UHFFFAOYSA-N 0 3 364.789 2.640 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000582692919 518875330 /nfs/dbraw/zinc/87/53/30/518875330.db2.gz JBKQSPHPUVMBEI-PZJWPPBQSA-N 0 3 369.465 2.876 20 5 FFBDHN COc1ccc(CN(C)[C@@H](C)CO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000582873298 518962292 /nfs/dbraw/zinc/96/22/92/518962292.db2.gz PTPPGJKAKMLMCL-AWEZNQCLSA-N 0 3 360.410 2.995 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H]2CCC[C@@H]2C2CC2)cc1 ZINC000568619403 519132569 /nfs/dbraw/zinc/13/25/69/519132569.db2.gz BPKFQEJHBKKYBR-RHSMWYFYSA-N 0 3 352.456 2.784 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CN[C@@H]1CCO[C@H](c3ccncc3)C1)OCCO2 ZINC000590660232 519305460 /nfs/dbraw/zinc/30/54/60/519305460.db2.gz QYPYQVGHMLRLBG-WBVHZDCISA-N 0 3 371.393 2.771 20 5 FFBDHN CC(C)[C@@H]1C[C@@H](CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000590658518 519305615 /nfs/dbraw/zinc/30/56/15/519305615.db2.gz PBKRWXHJTUKXEY-BBRMVZONSA-N 0 3 350.415 2.907 20 5 FFBDHN CC[C@@H](CN1CCCC1)NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000590669319 519309415 /nfs/dbraw/zinc/30/94/15/519309415.db2.gz DOVBQLKAUWOFCU-AWEZNQCLSA-N 0 3 357.414 2.589 20 5 FFBDHN CS[C@@H]1CCC[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000571993728 519385876 /nfs/dbraw/zinc/38/58/76/519385876.db2.gz HKONDNMBBYFMHA-GXTWGEPZSA-N 0 3 358.485 2.632 20 5 FFBDHN COc1ccc(CNC(=O)Nc2cccc3c2CCNC3)cc1[N+](=O)[O-] ZINC000583919877 519501395 /nfs/dbraw/zinc/50/13/95/519501395.db2.gz LZSQSIXRWPREAK-UHFFFAOYSA-N 0 3 356.382 2.571 20 5 FFBDHN CCOc1cc(OC[C@@H](O)CN(C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000616179495 519934506 /nfs/dbraw/zinc/93/45/06/519934506.db2.gz DXRJXBCVRVOSCM-INIZCTEOSA-N 0 3 360.410 2.865 20 5 FFBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594418465 519954536 /nfs/dbraw/zinc/95/45/36/519954536.db2.gz JFHOKYFIEFUCNC-ZWKOTPCHSA-N 0 3 360.458 2.920 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c1 ZINC000594420533 519955539 /nfs/dbraw/zinc/95/55/39/519955539.db2.gz WGCQUQRGERUJIA-CVEARBPZSA-N 0 3 361.442 2.805 20 5 FFBDHN CN1CC[C@@]2(CCN(C(=O)c3c(Br)cccc3[N+](=O)[O-])C2)C1 ZINC000599972442 519979723 /nfs/dbraw/zinc/97/97/23/519979723.db2.gz XPNGIMSYCFIIOY-OAHLLOKOSA-N 0 3 368.231 2.525 20 5 FFBDHN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCNCC3(C)C)cc2[N+](=O)[O-])C1 ZINC000591677846 519994275 /nfs/dbraw/zinc/99/42/75/519994275.db2.gz HAKBLQVGFWMOQI-GJZGRUSLSA-N 0 3 374.485 2.901 20 5 FFBDHN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594604056 520048049 /nfs/dbraw/zinc/04/80/49/520048049.db2.gz XRPKZDRUBPUBKI-HKUYNNGSSA-N 0 3 374.485 2.856 20 5 FFBDHN O=[N+]([O-])c1cc(F)c(Cn2cc(CCN3CCCCC3)nn2)c(F)c1 ZINC000603248765 520181196 /nfs/dbraw/zinc/18/11/96/520181196.db2.gz UADPYOGSQRSGRF-UHFFFAOYSA-N 0 3 351.357 2.541 20 5 FFBDHN CN1CC[C@]2(C1)CCCN(C(=O)c1ccc([N+](=O)[O-])c3cccnc13)C2 ZINC000597709747 520190237 /nfs/dbraw/zinc/19/02/37/520190237.db2.gz BBISPXPMSDFJKP-IBGZPJMESA-N 0 3 354.410 2.701 20 5 FFBDHN Cc1ccc(CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC2CC2)cn1 ZINC000592145811 520224320 /nfs/dbraw/zinc/22/43/20/520224320.db2.gz CAICIYLPTXNIPJ-GOSISDBHSA-N 0 3 371.437 2.950 20 5 FFBDHN CN1CCN(Cc2ccccc2)[C@@H](CNCc2cccc([N+](=O)[O-])c2)C1 ZINC000594995026 520247415 /nfs/dbraw/zinc/24/74/15/520247415.db2.gz NBKVUGYDWYGVDZ-FQEVSTJZSA-N 0 3 354.454 2.501 20 5 FFBDHN COc1cc(CNC[C@H]2CCN2Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000594998004 520250020 /nfs/dbraw/zinc/25/00/20/520250020.db2.gz DQNJYNRDAWUKIR-QGZVFWFLSA-N 0 3 371.437 2.976 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC1CCN(c2cc(C)[nH]n2)CC1 ZINC000595043382 520266993 /nfs/dbraw/zinc/26/69/93/520266993.db2.gz XAUGMKFNEODRPE-CYBMUJFWSA-N 0 3 359.430 2.955 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@@H]21 ZINC000595046898 520268565 /nfs/dbraw/zinc/26/85/65/520268565.db2.gz CXHFOYVBTDUUCW-BAGBSZHRSA-N 0 3 361.442 2.901 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CCO[C@H](c2ccnn2C)C1 ZINC000595051832 520269932 /nfs/dbraw/zinc/26/99/32/520269932.db2.gz OSKVDYQBJCTULI-LXIYXOSZSA-N 0 3 360.414 2.908 20 5 FFBDHN Cc1c(NC(=O)CCN[C@@](C)(CO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000609483983 520326813 /nfs/dbraw/zinc/32/68/13/520326813.db2.gz YQESASVLRRFQKC-IBGZPJMESA-N 0 3 357.410 2.729 20 5 FFBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]1NCCc2ccccc21 ZINC000592338179 520340401 /nfs/dbraw/zinc/34/04/01/520340401.db2.gz RLZJMWFXEKIBMC-LJQANCHMSA-N 0 3 368.437 2.790 20 5 FFBDHN CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000597944993 520344054 /nfs/dbraw/zinc/34/40/54/520344054.db2.gz FZINUEJGPXUIFP-GFCCVEGCSA-N 0 3 356.220 2.524 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCCN(c3ccccc3)CC2)c1 ZINC000603844640 520374453 /nfs/dbraw/zinc/37/44/53/520374453.db2.gz WFKGBVQTTWDKGO-LJQANCHMSA-N 0 3 371.437 2.547 20 5 FFBDHN N[C@@H]1CN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC[C@H]1F ZINC000595260924 520377338 /nfs/dbraw/zinc/37/73/38/520377338.db2.gz NLIJTBDZEBWZFB-HUUCEWRRSA-N 0 3 358.373 2.850 20 5 FFBDHN CCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@H]1CCN(CC)C1 ZINC000598040182 520389232 /nfs/dbraw/zinc/38/92/32/520389232.db2.gz DKBRTWDPAMMACX-INIZCTEOSA-N 0 3 360.458 2.751 20 5 FFBDHN CC[C@H](CN1CCCC1)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000609851102 520457352 /nfs/dbraw/zinc/45/73/52/520457352.db2.gz ALNFYMKIKCYMLG-QGZVFWFLSA-N 0 3 374.485 2.802 20 5 FFBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000598265348 520529049 /nfs/dbraw/zinc/52/90/49/520529049.db2.gz SGNCOHUQPFKLAD-CQSZACIVSA-N 0 3 356.426 2.993 20 5 FFBDHN COCC[C@H]1CCCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000613503379 520533885 /nfs/dbraw/zinc/53/38/85/520533885.db2.gz QZYJAJBHOCHWDB-CRAIPNDOSA-N 0 3 361.442 2.839 20 5 FFBDHN CN(C)CCN(Cc1ccccc1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000604483422 520575254 /nfs/dbraw/zinc/57/52/54/520575254.db2.gz IQFOVQHJXWSUPW-UHFFFAOYSA-N 0 3 371.393 2.528 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000592881786 520631411 /nfs/dbraw/zinc/63/14/11/520631411.db2.gz NKTZHEGEDYJUAX-APWZRJJASA-N 0 3 353.422 2.978 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H](c3cc4ccccc4[nH]3)C2)c1 ZINC000610392182 520663258 /nfs/dbraw/zinc/66/32/58/520663258.db2.gz ALPZMZZSBXXEMV-DOTOQJQBSA-N 0 3 369.425 2.513 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN(C[C@@H](C)O)C2CCCCC2)c1 ZINC000593012430 520684292 /nfs/dbraw/zinc/68/42/92/520684292.db2.gz XDKKXIWRCUAKIA-CYBMUJFWSA-N 0 3 350.415 2.897 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000593026448 520691035 /nfs/dbraw/zinc/69/10/35/520691035.db2.gz BSAZKDCNKRHAJU-UAGQMJEPSA-N 0 3 360.410 2.819 20 5 FFBDHN COc1ccc2c(c1)CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000595758745 520703540 /nfs/dbraw/zinc/70/35/40/520703540.db2.gz FNAJPRCPPBMNIO-UHFFFAOYSA-N 0 3 355.394 2.990 20 5 FFBDHN CC(C)[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCN1 ZINC000598572075 520717058 /nfs/dbraw/zinc/71/70/58/520717058.db2.gz KTZMPJMYICBJAQ-LBPRGKRZSA-N 0 3 357.863 2.797 20 5 FFBDHN COC[C@](C)(CO)NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000610518955 520726109 /nfs/dbraw/zinc/72/61/09/520726109.db2.gz AMPIBVZAMYGYTN-IBGZPJMESA-N 0 3 359.426 2.850 20 5 FFBDHN CN1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@@H](Cc2ccccc2)C1 ZINC000593088502 520735337 /nfs/dbraw/zinc/73/53/37/520735337.db2.gz FMMJHHBRNWWRLQ-IBGZPJMESA-N 0 3 355.438 2.832 20 5 FFBDHN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCC(F)CC1 ZINC000595817750 520744374 /nfs/dbraw/zinc/74/43/74/520744374.db2.gz CALGCIQENLUNGK-HSBZDZAISA-N 0 3 358.435 2.875 20 5 FFBDHN COC(=O)c1ccnc(NC[C@@H]2CN(C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000598632025 520752780 /nfs/dbraw/zinc/75/27/80/520752780.db2.gz YKKHAIDODUESLB-ZBFHGGJFSA-N 0 3 370.409 2.534 20 5 FFBDHN CN1CCC2(CC1)C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccccc1O2 ZINC000610899537 520898106 /nfs/dbraw/zinc/89/81/06/520898106.db2.gz ZELVLEVDAJILIJ-MRXNPFEDSA-N 0 3 370.409 2.641 20 5 FFBDHN C[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)N1CCCC1 ZINC000610903575 520899183 /nfs/dbraw/zinc/89/91/83/520899183.db2.gz BPDMNCAGCOZYDX-SNVBAGLBSA-N 0 3 356.220 2.571 20 5 FFBDHN NC(=O)c1cc(NC2CCN(CCc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000596078698 520899605 /nfs/dbraw/zinc/89/96/05/520899605.db2.gz XKHCSCYRXKEMDQ-UHFFFAOYSA-N 0 3 368.437 2.813 20 5 FFBDHN C[C@H](c1ccncc1)N1CCC(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596171052 520950742 /nfs/dbraw/zinc/95/07/42/520950742.db2.gz DHAWKVAZENVRAV-CYBMUJFWSA-N 0 3 369.425 2.726 20 5 FFBDHN CS[C@H]1CN(c2c(Br)cccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000596181325 520957621 /nfs/dbraw/zinc/95/76/21/520957621.db2.gz ZWABKNFUQKNYCS-RYUDHWBXSA-N 0 3 360.277 2.839 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@@H]1CCN1C1CCCCC1)OCCO2 ZINC000598991747 520963691 /nfs/dbraw/zinc/96/36/91/520963691.db2.gz FMCMZUJPLLAUMA-INIZCTEOSA-N 0 3 361.442 2.863 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCN3CC[C@@H](O)C3)o2)c(Cl)c1 ZINC000599009334 520977529 /nfs/dbraw/zinc/97/75/29/520977529.db2.gz JNVZDBBIHJSSSS-CYBMUJFWSA-N 0 3 365.817 2.664 20 5 FFBDHN CN1CCN(CCNc2c(Br)cccc2[N+](=O)[O-])CC1(C)C ZINC000596223605 520979052 /nfs/dbraw/zinc/97/90/52/520979052.db2.gz SSQBNARAFXTMRE-UHFFFAOYSA-N 0 3 371.279 2.795 20 5 FFBDHN O=[N+]([O-])c1cnc2ccccc2c1N1CCC(N2CCCOCC2)CC1 ZINC000596269633 521003121 /nfs/dbraw/zinc/00/31/21/521003121.db2.gz WEOFBPNLHVPPDN-UHFFFAOYSA-N 0 3 356.426 2.834 20 5 FFBDHN CCN1CCN(C[C@@H](C)CNc2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593454864 521004081 /nfs/dbraw/zinc/00/40/81/521004081.db2.gz NNEWNIJUYXKQJK-HNNXBMFYSA-N 0 3 357.458 2.829 20 5 FFBDHN CCC[C@@H](N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000599073076 521016139 /nfs/dbraw/zinc/01/61/39/521016139.db2.gz NTZIKEMDRTWFLS-BRWVUGGUSA-N 0 3 369.487 2.886 20 5 FFBDHN Nc1cc(NC[C@@H](c2ccco2)N2CCCCC2)cc(CO)c1[N+](=O)[O-] ZINC000611525049 521201863 /nfs/dbraw/zinc/20/18/63/521201863.db2.gz GMICYAKSYQATQQ-INIZCTEOSA-N 0 3 360.414 2.901 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](OC(F)F)C1 ZINC000611577217 521230983 /nfs/dbraw/zinc/23/09/83/521230983.db2.gz GRMWMMWMSVPYRU-GFCCVEGCSA-N 0 3 373.356 2.636 20 5 FFBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000602291269 521263178 /nfs/dbraw/zinc/26/31/78/521263178.db2.gz KMMMPWIRIWFLBW-QAPCUYQASA-N 0 3 357.454 2.959 20 5 FFBDHN CN(C)CCOc1ccccc1CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611710448 521292545 /nfs/dbraw/zinc/29/25/45/521292545.db2.gz UCWBYEDLUTXJSF-UHFFFAOYSA-N 0 3 367.409 2.512 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@]2(CO)CCCC(C)(C)C2)c1 ZINC000599594855 521317188 /nfs/dbraw/zinc/31/71/88/521317188.db2.gz MIKSTIQUOQCSBG-SFHVURJKSA-N 0 3 350.415 2.802 20 5 FFBDHN O=[N+]([O-])c1cnn(CCN[C@@H](CCO)c2cc(Cl)cc(Cl)c2)c1 ZINC000599667077 521379072 /nfs/dbraw/zinc/37/90/72/521379072.db2.gz PTSHFHOEGRXHDP-AWEZNQCLSA-N 0 3 359.213 2.811 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1cnccc1C ZINC000611940141 521402725 /nfs/dbraw/zinc/40/27/25/521402725.db2.gz UEQCOCLXHPWZOP-ZDUSSCGKSA-N 0 3 358.398 2.986 20 5 FFBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000594195164 521460532 /nfs/dbraw/zinc/46/05/32/521460532.db2.gz CNIPVYMHZYGHGK-NVXWUHKLSA-N 0 3 354.410 2.890 20 5 FFBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000594199244 521464279 /nfs/dbraw/zinc/46/42/79/521464279.db2.gz IHWVGXQXVXBBLG-NVXWUHKLSA-N 0 3 358.442 2.916 20 5 FFBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594204004 521469415 /nfs/dbraw/zinc/46/94/15/521469415.db2.gz WJHNFRMIFVCGLA-AEFFLSMTSA-N 0 3 356.426 2.683 20 5 FFBDHN CC1CCN(CCNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC000597094469 521501025 /nfs/dbraw/zinc/50/10/25/521501025.db2.gz HQZSEGCUKJRFMI-UHFFFAOYSA-N 0 3 355.826 2.684 20 5 FFBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597103916 521509650 /nfs/dbraw/zinc/50/96/50/521509650.db2.gz MROIWHATBBWLBX-NEPJUHHUSA-N 0 3 367.837 2.921 20 5 FFBDHN COC(=O)C(C)(C)[C@@H](NCCn1c(C)ncc1[N+](=O)[O-])c1ccccc1 ZINC000602806477 521544523 /nfs/dbraw/zinc/54/45/23/521544523.db2.gz UMRYJWNGBBQQAY-INIZCTEOSA-N 0 3 360.414 2.630 20 5 FFBDHN Cc1ccc(Sc2ccc(CNC[C@](C)(O)CO)cc2[N+](=O)[O-])cc1 ZINC000619464301 521582009 /nfs/dbraw/zinc/58/20/09/521582009.db2.gz PGMWLCUJQUKBSO-SFHVURJKSA-N 0 3 362.451 2.887 20 5 FFBDHN O=[N+]([O-])c1cc2ccccc2nc1N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000616055627 521612820 /nfs/dbraw/zinc/61/28/20/521612820.db2.gz FFDJJPHWHSHTTF-INIZCTEOSA-N 0 3 356.426 2.834 20 5 FFBDHN C[C@H]([NH2+]CCCOc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000824593712 608468487 /nfs/dbraw/zinc/46/84/87/608468487.db2.gz SEPWHAJZRTWYEO-ZDUSSCGKSA-N 0 3 368.397 2.895 20 5 FFBDHN C[C@@H](NC[C@@]1(N2CCOCC2)CCSC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872028105 731722084 /nfs/dbraw/zinc/72/20/84/731722084.db2.gz PFQINWDTSPBYNN-DYVFJYSZSA-N 0 3 369.462 2.592 20 5 FFBDHN CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877608631 732397743 /nfs/dbraw/zinc/39/77/43/732397743.db2.gz XSWINDXCVVUBAF-HNNXBMFYSA-N 0 3 359.348 2.712 20 5 FFBDHN C[C@@H]1CS(=O)(=O)C[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000886294653 733771173 /nfs/dbraw/zinc/77/11/73/733771173.db2.gz DQEBATMFRYWXMF-ABAIWWIYSA-N 0 3 366.464 2.846 20 5 FFBDHN COc1ccc(CC[NH2+]Cc2ccc([O-])c(OC)c2[N+](=O)[O-])cc1F ZINC000892871059 734615413 /nfs/dbraw/zinc/61/54/13/734615413.db2.gz JOXPUGNEHGLZID-UHFFFAOYSA-N 0 3 350.346 2.789 20 5 FFBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000893601817 734725200 /nfs/dbraw/zinc/72/52/00/734725200.db2.gz JLIOJJYXIARYQW-HUUCEWRRSA-N 0 3 352.822 2.626 20 5 FFBDHN COc1c(O)ccc(CNC[C@@H]2CC[C@H](C(F)(F)F)O2)c1[N+](=O)[O-] ZINC000896280667 735131109 /nfs/dbraw/zinc/13/11/09/735131109.db2.gz QFODOQBWZVIMGF-GXSJLCMTSA-N 0 3 350.293 2.509 20 5 FFBDHN CN(CCN1CCCC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000754997332 736224728 /nfs/dbraw/zinc/22/47/28/736224728.db2.gz RDLHIANDLBTHFB-UHFFFAOYSA-N 0 3 374.210 2.664 20 5 FFBDHN CN(C)Cc1cccc(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)c1 ZINC000771503078 737731279 /nfs/dbraw/zinc/73/12/79/737731279.db2.gz NNSPTUPEMTUORY-UHFFFAOYSA-N 0 3 357.395 2.913 20 5 FFBDHN CN1C[C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)[C@@H]2C1 ZINC000930767459 739159875 /nfs/dbraw/zinc/15/98/75/739159875.db2.gz GOKOQHWBMVSXDQ-NOZJJQNGSA-N 0 3 358.320 2.781 20 5 FFBDHN CN1C[C@H]2CCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000931335579 739247362 /nfs/dbraw/zinc/24/73/62/739247362.db2.gz XYGKAMFIFBCQKM-RNCFNFMXSA-N 0 3 369.219 2.525 20 5 FFBDHN CCOC(=O)C1([C@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000933882603 739700762 /nfs/dbraw/zinc/70/07/62/739700762.db2.gz SOBKPCWGLFQLRY-KGLIPLIRSA-N 0 3 350.415 2.994 20 5 FFBDHN CC(COC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1)[N+](=O)[O-] ZINC000813111735 741678524 /nfs/dbraw/zinc/67/85/24/741678524.db2.gz KRLNUNNPTITAMH-JSGCOSHPSA-N 0 3 352.387 2.503 20 5 FFBDHN CC(COC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)[N+](=O)[O-] ZINC000813115566 741678708 /nfs/dbraw/zinc/67/87/08/741678708.db2.gz VKVBNDSYRFVJTC-NSHDSACASA-N 0 3 358.379 2.818 20 5 FFBDHN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1cnc2c(c1)CNCC2 ZINC000818565029 742279428 /nfs/dbraw/zinc/27/94/28/742279428.db2.gz PTSOPHAQRCEFSE-UHFFFAOYSA-N 0 3 364.764 2.609 20 5 FFBDHN CN1C[C@@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3Br)[C@@H]2C1 ZINC000822438851 742733931 /nfs/dbraw/zinc/73/39/31/742733931.db2.gz XGJYANRIMLLKKL-GXFFZTMASA-N 0 3 368.231 2.524 20 5 FFBDHN Cn1ccnc1[C@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000825326266 743248699 /nfs/dbraw/zinc/24/86/99/743248699.db2.gz KZBLXVCTVWWZBE-IUODEOHRSA-N 0 3 350.806 2.992 20 5 FFBDHN CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000830896419 745447797 /nfs/dbraw/zinc/44/77/97/745447797.db2.gz DVMOFXQZDNWAPO-DLBZAZTESA-N 0 3 350.802 2.947 20 5 FFBDHN Cc1sc(=O)n(CC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c1C ZINC000845873419 748340901 /nfs/dbraw/zinc/34/09/01/748340901.db2.gz DCICXCMEYKCUIJ-BONVTDFDSA-N 0 3 368.386 2.615 20 5 FFBDHN CC([C@@H](OC(=O)c1ncn(C(C)(C)C)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845878621 748342617 /nfs/dbraw/zinc/34/26/17/748342617.db2.gz HNENZVXQMFVQDD-GXFFZTMASA-N 0 3 350.350 2.736 20 5 FFBDHN CC([C@H](OC(=O)c1ccn(CC(F)F)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845881472 748343476 /nfs/dbraw/zinc/34/34/76/748343476.db2.gz LATPHQFXJIGVSH-XPTSAGLGSA-N 0 3 357.288 2.851 20 5 FFBDHN O=C1COc2cc([N+](=O)[O-])c(N[C@@H]3CCN(Cc4ccccc4)C3)cc2N1 ZINC000312812355 972007041 /nfs/dbraw/zinc/00/70/41/972007041.db2.gz RRMQAFKVCJJYTI-CQSZACIVSA-N 0 3 368.393 2.612 20 5 FFBDHN C[C@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[C@H]1CN(C)CCN1C ZINC000895247765 968761809 /nfs/dbraw/zinc/76/18/09/968761809.db2.gz WFFKBKSARSTFMK-WMLDXEAASA-N 0 3 355.442 2.703 20 5 FFBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC000899199343 977009297 /nfs/dbraw/zinc/00/92/97/977009297.db2.gz HDNQCHXQMVLBMW-HZPDHXFCSA-N 0 3 354.410 2.639 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC[C@@H]([C@H](O)c2nccn2C)C1 ZINC000876809105 1014401604 /nfs/dbraw/zinc/40/16/04/1014401604.db2.gz CQMKDISFWGMRKT-QAPCUYQASA-N 0 3 358.442 2.891 20 5 FFBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCCN(CC)C[C@H]2C)cc1OC ZINC000910294471 981903148 /nfs/dbraw/zinc/90/31/48/981903148.db2.gz UNYWPYJQFYVAFB-CYBMUJFWSA-N 0 3 365.430 2.558 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000879057627 1015343536 /nfs/dbraw/zinc/34/35/36/1015343536.db2.gz RCRCHXKVLDIGFP-INIZCTEOSA-N 0 3 357.414 2.525 20 5 FFBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC000923314608 991057759 /nfs/dbraw/zinc/05/77/59/991057759.db2.gz KGBCDGBHEDUTNX-UONOGXRCSA-N 0 3 354.410 2.639 20 5 FFBDHN Cc1ccc(CN2Cc3ccc(CNC(=O)[C@@H]4CC4[N+](=O)[O-])cc3C2)cc1 ZINC001054264362 1015994931 /nfs/dbraw/zinc/99/49/31/1015994931.db2.gz BMOHYLBKSTWIRV-WOJBJXKFSA-N 0 3 365.433 2.792 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000824827936 997117962 /nfs/dbraw/zinc/11/79/62/997117962.db2.gz JUAUQOQEVCDOIO-KBPBESRZSA-N 0 3 371.359 2.746 20 5 FFBDHN CC([C@@H](OC(=O)CN1Cc2ccccc2C1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845875940 998676887 /nfs/dbraw/zinc/67/68/87/998676887.db2.gz OIUDBWVPRXSIFW-KPZWWZAWSA-N 0 3 372.352 2.731 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2ccccc2)c1 ZINC000733092904 998885515 /nfs/dbraw/zinc/88/55/15/998885515.db2.gz JEEKINWXHUDUMD-UHFFFAOYSA-N 0 3 357.410 2.807 20 5 FFBDHN CC(C)(C)OC(=O)N1CC2(C1)CCCCN2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011390 1000015724 /nfs/dbraw/zinc/01/57/24/1000015724.db2.gz KDAJAMMPHBZCJR-CABCVRRESA-N 0 3 353.463 2.907 20 5 FFBDHN NCc1ccc2c(n1)N(c1nccc(Br)c1[N+](=O)[O-])CCC2 ZINC001169590806 1000060056 /nfs/dbraw/zinc/06/00/56/1000060056.db2.gz OTDZQJDCIXAMBR-UHFFFAOYSA-N 0 3 364.203 2.690 20 5 FFBDHN C[C@@H](NCc1ccc(CN2CCOCC2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788503751 1001814265 /nfs/dbraw/zinc/81/42/65/1001814265.db2.gz NRLDZRBUXGNAPH-OAHLLOKOSA-N 0 3 370.453 2.860 20 5 FFBDHN COc1c(O)ccc(CNC[C@@H](O)Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC001183641225 1002332523 /nfs/dbraw/zinc/33/25/23/1002332523.db2.gz ALFCBLYYMLUZHE-AWEZNQCLSA-N 0 3 366.801 2.656 20 5 FFBDHN COc1ccc(C[C@@H](C)NC2CN(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170294842 1003087849 /nfs/dbraw/zinc/08/78/49/1003087849.db2.gz DIAMJFPXBBKTME-GFCCVEGCSA-N 0 3 365.430 2.743 20 5 FFBDHN COc1ccc(C[C@@H](C)N2CCC3(CCCC(=O)N3)CC2)c([N+](=O)[O-])c1 ZINC001170342419 1003130225 /nfs/dbraw/zinc/13/02/25/1003130225.db2.gz WLNGCGZBOTZTFY-CQSZACIVSA-N 0 3 361.442 2.669 20 5 FFBDHN COc1ccc(C[C@H](C)N2C[C@@H]3COC[C@H](C2)C3(F)F)c([N+](=O)[O-])c1 ZINC001170351018 1003135342 /nfs/dbraw/zinc/13/53/42/1003135342.db2.gz DGKDJKJBHOKBIN-FPMFFAJLSA-N 0 3 356.369 2.748 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](c2cnccn2)C1 ZINC001198166180 1004519065 /nfs/dbraw/zinc/51/90/65/1004519065.db2.gz XYPCSSZZRBZJFU-CQSZACIVSA-N 0 3 355.398 2.511 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(OC[C@@H]3CCCCO3)CC2)cc1 ZINC000776590406 1005993359 /nfs/dbraw/zinc/99/33/59/1005993359.db2.gz DIGVSIARGQGNFL-OALUTQOASA-N 0 3 364.442 2.678 20 5 FFBDHN CCN1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000110998310 1006249802 /nfs/dbraw/zinc/24/98/02/1006249802.db2.gz ZZBALOBNTHOAHP-INIZCTEOSA-N 0 3 360.458 2.799 20 5 FFBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@@H](O)c3cc4ccccc4o3)CC2)n1 ZINC000815104489 1006518795 /nfs/dbraw/zinc/51/87/95/1006518795.db2.gz LSRJXZJGFZUHDB-OAHLLOKOSA-N 0 3 356.382 2.908 20 5 FFBDHN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)CC1 ZINC000816952850 1007274553 /nfs/dbraw/zinc/27/45/53/1007274553.db2.gz SVZIEHXBSJQYPX-BEFAXECRSA-N 0 3 372.469 2.607 20 5 FFBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001137204356 1007304269 /nfs/dbraw/zinc/30/42/69/1007304269.db2.gz DALGMRAQLFJWGT-OKILXGFUSA-N 0 3 367.421 2.662 20 5 FFBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCc2ccnc(OCC(F)(F)F)c2)c1 ZINC000818957465 1007994418 /nfs/dbraw/zinc/99/44/18/1007994418.db2.gz WFJPMFQIAUMTMO-AWEZNQCLSA-N 0 3 371.315 2.754 20 5 FFBDHN Cc1ccc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)c(N2CCOCC2)c1 ZINC000819148450 1008043895 /nfs/dbraw/zinc/04/38/95/1008043895.db2.gz XESCWMKCBNDLMX-HXUWFJFHSA-N 0 3 371.437 2.563 20 5 FFBDHN COCCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859209152 1008487628 /nfs/dbraw/zinc/48/76/28/1008487628.db2.gz XIQKJBLTNWYNCX-HNNXBMFYSA-N 0 3 357.410 2.589 20 5 FFBDHN NC(=O)c1ccc(CN2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000859929241 1008726334 /nfs/dbraw/zinc/72/63/34/1008726334.db2.gz ARZBKRLRUZCSCW-OKZBNKHCSA-N 0 3 351.406 2.929 20 5 FFBDHN C[C@H]1[C@@H](NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000823939078 1009287537 /nfs/dbraw/zinc/28/75/37/1009287537.db2.gz QUEZEVZAQKGBCF-GUYCJALGSA-N 0 3 369.425 2.962 20 5 FFBDHN O=C1[C@H](N[C@H]2CCc3ccccc3OC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000509514132 1009528163 /nfs/dbraw/zinc/52/81/63/1009528163.db2.gz CETRXJABDHUPMA-MAUKXSAKSA-N 0 3 367.405 2.684 20 5 FFBDHN CN(CCN1CC2(C1)CCOCC2)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000866256720 1010963622 /nfs/dbraw/zinc/96/36/22/1010963622.db2.gz RYQAIPLSEFHUMV-UHFFFAOYSA-N 0 3 356.426 2.692 20 5 FFBDHN CN(CCN1CC2(C1)CCOCC2)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000866258172 1010963780 /nfs/dbraw/zinc/96/37/80/1010963780.db2.gz OBYVYBBTKVPJDY-UHFFFAOYSA-N 0 3 356.426 2.692 20 5 FFBDHN CC([C@@H](OC(=O)Cc1cnn2c1CCCC2)c1ccccc1F)[N+](=O)[O-] ZINC000870455440 1012391446 /nfs/dbraw/zinc/39/14/46/1012391446.db2.gz ZVYZETFNXDSOMZ-KPZWWZAWSA-N 0 3 361.373 2.851 20 5 FFBDHN C[C@@H](c1ccccc1)[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000827309959 1017567279 /nfs/dbraw/zinc/56/72/79/1017567279.db2.gz IRSNTAZPTHLXFA-JXFKEZNVSA-N 0 3 355.438 2.881 20 5 FFBDHN Cc1ccc(CN(C)C)cc1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000748762281 1017624694 /nfs/dbraw/zinc/62/46/94/1017624694.db2.gz ZOZKVWZPSRRYCM-UHFFFAOYSA-N 0 3 367.409 2.953 20 5 FFBDHN CN(C(=O)CN[C@H]1CCc2ccccc2OC1)c1ccc([N+](=O)[O-])cc1 ZINC000801571447 1019128163 /nfs/dbraw/zinc/12/81/63/1019128163.db2.gz TUPRTQZWIUENIE-HNNXBMFYSA-N 0 3 355.394 2.541 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@]1(c2cnn(C)c2)CCCO1 ZINC000903358477 1020804459 /nfs/dbraw/zinc/80/44/59/1020804459.db2.gz JZDJLTVDOPMXTQ-UGSOOPFHSA-N 0 3 360.414 2.693 20 5 FFBDHN C[C@@](O)(CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1 ZINC000778213095 1021130767 /nfs/dbraw/zinc/13/07/67/1021130767.db2.gz BRTWTJLZRQOCCJ-LJQANCHMSA-N 0 3 358.394 2.753 20 5 FFBDHN O=[N+]([O-])c1c2c(cc(Br)c1O[C@@H]1CCNC[C@@H]1F)CCC2 ZINC001218071407 1032980185 /nfs/dbraw/zinc/98/01/85/1032980185.db2.gz PIDLFENLDMDATB-NWDGAFQWSA-N 0 3 359.195 2.925 20 5 FFBDHN CCC1(N2CCC2)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC001119375303 1022719370 /nfs/dbraw/zinc/71/93/70/1022719370.db2.gz MNUIQJYEGQIIMB-UHFFFAOYSA-N 0 3 367.471 2.542 20 5 FFBDHN COc1cc(CN[C@@H](CNC(=O)OC(C)(C)C)C2CC2)ccc1[N+](=O)[O-] ZINC000754407580 1023466022 /nfs/dbraw/zinc/46/60/22/1023466022.db2.gz GVOBKBMJRKYQFT-AWEZNQCLSA-N 0 3 365.430 2.996 20 5 FFBDHN COc1cc(CN[C@H](CNC(=O)OC(C)(C)C)C2CC2)ccc1[N+](=O)[O-] ZINC000754407581 1023466340 /nfs/dbraw/zinc/46/63/40/1023466340.db2.gz GVOBKBMJRKYQFT-CQSZACIVSA-N 0 3 365.430 2.996 20 5 FFBDHN Cc1ccc([C@H](CNCc2ccc(C)c([N+](=O)[O-])c2)N2CCOCC2)o1 ZINC000078228054 1023779394 /nfs/dbraw/zinc/77/93/94/1023779394.db2.gz YJVVFIUBNFJYHI-SFHVURJKSA-N 0 3 359.426 2.968 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000758333646 1024050610 /nfs/dbraw/zinc/05/06/10/1024050610.db2.gz IBKWGNVHDYLNJH-KSSFIOAISA-N 0 3 372.469 2.798 20 5 FFBDHN C[C@@](O)(CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(F)cc1 ZINC000758598642 1024210497 /nfs/dbraw/zinc/21/04/97/1024210497.db2.gz BQZZOYXUBIUXGF-GOSISDBHSA-N 0 3 362.357 2.502 20 5 FFBDHN CCc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)N(C)C)cc1 ZINC000195131475 1024945583 /nfs/dbraw/zinc/94/55/83/1024945583.db2.gz IXDREZXTOJWLPO-GOSISDBHSA-N 0 3 356.426 2.772 20 5 FFBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2C)C[C@H]1N1CCCC1 ZINC001153677316 1027956713 /nfs/dbraw/zinc/95/67/13/1027956713.db2.gz YXFBYMLICMKMMV-CVEARBPZSA-N 0 3 367.446 2.694 20 5 FFBDHN CC(C)Oc1nc(-n2nc(C(F)(F)F)c3c2CCNC3)ccc1[N+](=O)[O-] ZINC001154845530 1028480840 /nfs/dbraw/zinc/48/08/40/1028480840.db2.gz BNMQZHZWBOMIAN-UHFFFAOYSA-N 0 3 371.319 2.627 20 5 FFBDHN COC(=O)[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CNC2)c1ccc(OC)cc1 ZINC001164542018 1029313831 /nfs/dbraw/zinc/31/38/31/1029313831.db2.gz ZXTZPPIQYYQPBB-KRWDZBQOSA-N 0 3 357.366 2.533 20 5 FFBDHN C[C@H]1CC2(CN1Cn1cnc(-c3cccc([N+](=O)[O-])c3)n1)CCOCC2 ZINC000842639140 1030868369 /nfs/dbraw/zinc/86/83/69/1030868369.db2.gz OWZLTWZVMOEOAK-AWEZNQCLSA-N 0 3 357.414 2.702 20 5 FFBDHN COC(=O)CCN(Cc1c(C)ccc([N+](=O)[O-])c1C)C[C@@H]1CCCO1 ZINC001204350274 1031244765 /nfs/dbraw/zinc/24/47/65/1031244765.db2.gz YVIKOYUWHHWBNR-HNNXBMFYSA-N 0 3 350.415 2.756 20 5 FFBDHN Cc1cccc(CNC(=O)c2ccc(C(=O)OCC(C)[N+](=O)[O-])cc2)c1 ZINC000835457684 1035777413 /nfs/dbraw/zinc/77/74/13/1035777413.db2.gz YTMUEKQZXCTTCR-AWEZNQCLSA-N 0 3 356.378 2.747 20 5 FFBDHN CCN1CC[C@@H](Oc2ccc([N+](=O)[O-])c(I)c2)C1 ZINC001227993246 1035855806 /nfs/dbraw/zinc/85/58/06/1035855806.db2.gz ZQURZKMADYGLHE-SNVBAGLBSA-N 0 3 362.167 2.672 20 5 FFBDHN COc1cccnc1CNC1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256088640 1038373321 /nfs/dbraw/zinc/37/33/21/1038373321.db2.gz XRLLVPKZLXDXTD-UHFFFAOYSA-N 0 3 372.425 2.766 20 5 FFBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC(NC(=O)c2ccncc2)CC1 ZINC001254569783 1040804145 /nfs/dbraw/zinc/80/41/45/1040804145.db2.gz KXYHGKJDZHSYMI-HNNXBMFYSA-N 0 3 368.437 2.815 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCN(CCc3cccs3)CC1)C2 ZINC001254601204 1040832639 /nfs/dbraw/zinc/83/26/39/1040832639.db2.gz VSZUGJQZDYQEOS-GOSISDBHSA-N 0 3 357.479 2.984 20 5 FFBDHN Cc1cc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)cc([N+](=O)[O-])c1 ZINC001263983659 1042564853 /nfs/dbraw/zinc/56/48/53/1042564853.db2.gz XMWMJSZYMWNHPA-STQMWFEESA-N 0 3 362.304 2.826 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCN1C(=O)COc2ccccc21 ZINC001319767612 1045267353 /nfs/dbraw/zinc/26/73/53/1045267353.db2.gz OXHHTXXAHHRSQR-AWEZNQCLSA-N 0 3 355.394 2.979 20 5 FFBDHN CC(C)(C)CCN1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC001291909002 1048986706 /nfs/dbraw/zinc/98/67/06/1048986706.db2.gz LWTBIQRHMVRHIX-UHFFFAOYSA-N 0 3 351.422 2.857 20 5 FFBDHN O=[N+]([O-])c1c(N2CCN(C[C@@H]3CCOC3)CC2)cccc1C(F)(F)F ZINC001333911580 1049165935 /nfs/dbraw/zinc/16/59/35/1049165935.db2.gz HAGMFOCFRBLMAV-LBPRGKRZSA-N 0 3 359.348 2.772 20 5 FFBDHN CCN1C[C@H](C)N(c2nnc([C@@H](C)[N+](=O)[O-])n2Cc2ccccc2)C[C@@H]1C ZINC001342144903 1050739578 /nfs/dbraw/zinc/73/95/78/1050739578.db2.gz OVQZCUWABBTDJB-HRCADAONSA-N 0 3 372.473 2.583 20 5 FFBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC001340940893 1051272001 /nfs/dbraw/zinc/27/20/01/1051272001.db2.gz MNYIRYZXMBTYFD-CQSZACIVSA-N 0 3 357.435 2.761 20 5 FFBDHN CCN1C[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001304041467 1051511386 /nfs/dbraw/zinc/51/13/86/1051511386.db2.gz NFIGREHJGDXRIP-KRWDZBQOSA-N 0 3 360.458 2.655 20 5 FFBDHN CCC1(N2CCC2)CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC001337570923 1054856555 /nfs/dbraw/zinc/85/65/55/1054856555.db2.gz PJSFYODZDQDFKX-UHFFFAOYSA-N 0 3 367.471 2.542 20 5 FFBDHN Cn1c([C@@H]2CCCN(C)C2)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001350843905 1055965924 /nfs/dbraw/zinc/96/59/24/1055965924.db2.gz YHPTWPGYBBGTFI-OAHLLOKOSA-N 0 3 370.457 2.702 20 5 FFBDHN CCc1[nH]nc(C(=O)Nc2ccc(Nc3ccncc3)cc2)c1[N+](=O)[O-] ZINC001300213316 1056129067 /nfs/dbraw/zinc/12/90/67/1056129067.db2.gz ONPPLLVSQQPPKA-UHFFFAOYSA-N 0 3 352.354 2.693 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849597326 1056938004 /nfs/dbraw/zinc/93/80/04/1056938004.db2.gz SFOVPIGLQNCLQH-CVEARBPZSA-N 0 3 371.441 2.619 20 5 FFBDHN Cc1c(C(=O)N2CCN(C)C(C)(C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001454270130 1059479633 /nfs/dbraw/zinc/47/96/33/1059479633.db2.gz VXLNBWVXCKTSTA-UHFFFAOYSA-N 0 3 364.402 2.676 20 5 FFBDHN CCOC(=O)[C@@H]1CC[C@@H]1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC001515769432 1059786822 /nfs/dbraw/zinc/78/68/22/1059786822.db2.gz VVLINAYNLMOSFL-OXIQGZBJSA-N 0 3 353.346 2.665 20 5 FFBDHN CCn1c(Cc2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001520844492 1060135478 /nfs/dbraw/zinc/13/54/78/1060135478.db2.gz BWMLLNYKVHYXFY-UHFFFAOYSA-N 0 3 372.473 2.718 20 5 FFBDHN COc1cc(C[NH2+]CCc2ccc3c(c2)OCCCO3)c([N+](=O)[O-])cc1[O-] ZINC001461760213 1061400020 /nfs/dbraw/zinc/40/00/20/1061400020.db2.gz MBUKXAGRJAZYNW-UHFFFAOYSA-N 0 3 374.393 2.803 20 5 FFBDHN COc1c(O)ccc(CNC[C@](C)(O)c2cccc(Cl)c2)c1[N+](=O)[O-] ZINC001462054067 1061488851 /nfs/dbraw/zinc/48/88/51/1061488851.db2.gz MDDHBWIFZOOJKY-KRWDZBQOSA-N 0 3 366.801 2.960 20 5 FFBDHN CN1CCCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC001463220338 1062000358 /nfs/dbraw/zinc/00/03/58/1062000358.db2.gz CJJYELZTXFTOEU-ZDUSSCGKSA-N 0 3 370.247 2.500 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC001463269456 1062023349 /nfs/dbraw/zinc/02/33/49/1062023349.db2.gz DZZCVMSASMLNFP-GUTXKFCHSA-N 0 3 369.487 2.548 20 5 FFBDHN CCCN(CCN(CC)CC)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC001463491542 1062128635 /nfs/dbraw/zinc/12/86/35/1062128635.db2.gz NFUVCKHOQTZGDM-UHFFFAOYSA-N 0 3 371.503 2.954 20 5 FFBDHN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC001470779873 1064448825 /nfs/dbraw/zinc/44/88/25/1064448825.db2.gz JWCBVQSDJMIVMU-PBHICJAKSA-N 0 3 356.426 2.574 20 5 FFBDHN C[C@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCN1C1CCCC1 ZINC001473798676 1065367512 /nfs/dbraw/zinc/36/75/12/1065367512.db2.gz VNMVBOCOEQPSBI-HNNXBMFYSA-N 0 3 360.458 2.506 20 5 FFBDHN C[C@@H]1CN[C@@H](C)[C@@H](C)N1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC001576878703 1078284173 /nfs/dbraw/zinc/28/41/73/1078284173.db2.gz IUDGKPMDXDWOOP-GRYCIOLGSA-N 0 3 355.822 2.614 20 5 FFBDHN O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccnc([C@H]2CCCN2)n1 ZINC001580564443 1078827400 /nfs/dbraw/zinc/82/74/00/1078827400.db2.gz ASSFDDIIBVPOTH-LLVKDONJSA-N 0 3 359.411 2.540 20 5 FFBDHN O=[N+]([O-])c1ccc(C[NH2+]CCc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC001582803929 1079109775 /nfs/dbraw/zinc/10/97/75/1079109775.db2.gz CWTDDKWDVUQPRT-UHFFFAOYSA-N 0 3 358.789 2.761 20 5 FFBDHN CCN1C[C@H](NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C(C)(C)C1 ZINC001558525073 1076024811 /nfs/dbraw/zinc/02/48/11/1076024811.db2.gz GHTGNKLQQFKIGY-HNNXBMFYSA-N 0 3 367.471 2.785 20 5 FFBDHN CCCN(CCN1CCCC1)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001568841660 1077114097 /nfs/dbraw/zinc/11/40/97/1077114097.db2.gz VGPJVNWYYIBELA-UHFFFAOYSA-N 0 3 372.828 2.918 20 5 FFBDHN Cc1c(NC(=O)c2cnn(CCN3CCCCC3)c2)cccc1[N+](=O)[O-] ZINC000359865641 210191625 /nfs/dbraw/zinc/19/16/25/210191625.db2.gz GSPJUZKTVWDSNJ-UHFFFAOYSA-N 0 3 357.414 2.838 20 5 FFBDHN CCN1CCCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 ZINC000104951405 250191729 /nfs/dbraw/zinc/19/17/29/250191729.db2.gz KKVCGYDFTHAOSD-UHFFFAOYSA-N 0 3 359.373 2.732 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCCN2CCC(OC[C@@H]3CCOC3)CC2)cc1 ZINC000131787206 251020299 /nfs/dbraw/zinc/02/02/99/251020299.db2.gz MXGYQRLRRIOGSR-MRXNPFEDSA-N 0 3 364.442 2.881 20 5 FFBDHN CC(C)NC(=O)c1ccc(N2CC[C@H](N3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000264619738 251325237 /nfs/dbraw/zinc/32/52/37/251325237.db2.gz RJYFDNWWZGNLDE-INIZCTEOSA-N 0 3 360.458 2.798 20 5 FFBDHN CC1CCN(CCN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272517502 252057845 /nfs/dbraw/zinc/05/78/45/252057845.db2.gz KLADHWADKCERHA-SFHVURJKSA-N 0 3 357.458 2.739 20 5 FFBDHN CN1CC[C@@H]2CCN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272637982 252087600 /nfs/dbraw/zinc/08/76/00/252087600.db2.gz XXZFFXKZMQFLEP-SJLPKXTDSA-N 0 3 360.458 2.653 20 5 FFBDHN C[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1=CCN(C)CC1 ZINC000272954833 252174324 /nfs/dbraw/zinc/17/43/24/252174324.db2.gz MZCLSNAQFXWKIW-AWEZNQCLSA-N 0 3 358.442 2.919 20 5 FFBDHN C[C@]1(NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000273048999 252200719 /nfs/dbraw/zinc/20/07/19/252200719.db2.gz JYRZWDNLGPGCPA-HOTGVXAUSA-N 0 3 353.806 2.734 20 5 FFBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000285765124 257003723 /nfs/dbraw/zinc/00/37/23/257003723.db2.gz KUZDWHSNHXVKOR-DOTOQJQBSA-N 0 3 372.469 2.894 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000277439609 256198274 /nfs/dbraw/zinc/19/82/74/256198274.db2.gz LEWWFRHGLORLHK-HNNXBMFYSA-N 0 3 364.446 2.834 20 5 FFBDHN Cc1cc(N2CCCC[C@H](S(C)(=O)=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000277828522 256244797 /nfs/dbraw/zinc/24/47/97/256244797.db2.gz JPTBDNTZBJWOMX-AWEZNQCLSA-N 0 3 363.439 2.855 20 5 FFBDHN C[C@H](N[C@H]1CCC[C@H]1CCO)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000286261637 257028095 /nfs/dbraw/zinc/02/80/95/257028095.db2.gz STFUFWYPCMGJMP-MJVIPROJSA-N 0 3 355.822 2.716 20 5 FFBDHN CCS[C@@H]1CCC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000286332119 257031568 /nfs/dbraw/zinc/03/15/68/257031568.db2.gz XBCPQDZEEJFFCN-LSDHHAIUSA-N 0 3 358.485 2.632 20 5 FFBDHN CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCC(F)(F)CC1 ZINC000287033263 257068088 /nfs/dbraw/zinc/06/80/88/257068088.db2.gz SIPRRGHEBQFFCP-UHFFFAOYSA-N 0 3 353.369 2.994 20 5 FFBDHN O=[N+]([O-])c1ccn(CCN2CCC(c3noc4cc(F)ccc43)CC2)n1 ZINC000289379324 257277736 /nfs/dbraw/zinc/27/77/36/257277736.db2.gz CBUOKEBZKFZRMH-UHFFFAOYSA-N 0 3 359.361 2.951 20 5 FFBDHN COc1cc(CN(C)[C@@H](C)CO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000289379032 257277863 /nfs/dbraw/zinc/27/78/63/257277863.db2.gz CDAFRQKZCITAFZ-AWEZNQCLSA-N 0 3 360.410 2.995 20 5 FFBDHN COc1ccc(C[C@@](C)(O)CNCc2cccc([N+](=O)[O-])c2)cc1OC ZINC000289746865 257297029 /nfs/dbraw/zinc/29/70/29/257297029.db2.gz HYNKKYDPHFMQHM-LJQANCHMSA-N 0 3 360.410 2.695 20 5 FFBDHN CN(C)[C@]1(CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCSC1 ZINC000289806889 257300406 /nfs/dbraw/zinc/30/04/06/257300406.db2.gz VJAFUJTWHRZUQH-AWEZNQCLSA-N 0 3 358.851 2.807 20 5 FFBDHN C[C@H](NC[C@](C)(O)CNC(=O)OC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000289584937 257288590 /nfs/dbraw/zinc/28/85/90/257288590.db2.gz RQXLLEPPAKNVHI-SJCJKPOMSA-N 0 3 353.419 2.521 20 5 FFBDHN COc1cc(CN[C@H](CO)C2CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000289593194 257289000 /nfs/dbraw/zinc/28/90/00/257289000.db2.gz RCGCLYWBQCWZCN-GFCCVEGCSA-N 0 3 360.357 2.846 20 5 FFBDHN CCN(CC)[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccsc1 ZINC000290581380 257343449 /nfs/dbraw/zinc/34/34/49/257343449.db2.gz VXPOQTOWCZONQL-ZDUSSCGKSA-N 0 3 363.443 2.645 20 5 FFBDHN C[C@H]1CCC[C@@](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])(N(C)C)C1 ZINC000301102697 258025544 /nfs/dbraw/zinc/02/55/44/258025544.db2.gz RWFQCLXYJIXYTD-SUMWQHHRSA-N 0 3 369.487 2.921 20 5 FFBDHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000302414519 258101085 /nfs/dbraw/zinc/10/10/85/258101085.db2.gz HMDQPHGQXKZRBI-LJQANCHMSA-N 0 3 359.401 2.807 20 5 FFBDHN Cc1nn(C)c(N2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000312058466 258115447 /nfs/dbraw/zinc/11/54/47/258115447.db2.gz GSQSCKPGJXWNCR-IAGOWNOFSA-N 0 3 355.442 2.595 20 5 FFBDHN Cc1c(CO)cc([N+](=O)[O-])c(N[C@@H](C)CN2CCCCC2)c1[N+](=O)[O-] ZINC000301518260 258053618 /nfs/dbraw/zinc/05/36/18/258053618.db2.gz KMSPRQWCQXOTOZ-NSHDSACASA-N 0 3 352.391 2.590 20 5 FFBDHN CN(C)[C@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)c1cccs1 ZINC000301614358 258058799 /nfs/dbraw/zinc/05/87/99/258058799.db2.gz UMCBSDAUNQJAHR-CYBMUJFWSA-N 0 3 362.411 2.702 20 5 FFBDHN C[C@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CCN1Cc1ccccc1 ZINC000301967027 258078926 /nfs/dbraw/zinc/07/89/26/258078926.db2.gz KZJZEXOPBYHILA-HNNXBMFYSA-N 0 3 366.425 2.738 20 5 FFBDHN C[C@H]1C[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)CN1Cc1ccccc1 ZINC000301975104 258079771 /nfs/dbraw/zinc/07/97/71/258079771.db2.gz VRNZXIZBMRZTPX-ZFWWWQNUSA-N 0 3 352.398 2.712 20 5 FFBDHN CCN1C[C@H](C)N(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000330554593 258165480 /nfs/dbraw/zinc/16/54/80/258165480.db2.gz GIDZHFJTJWHNGW-RYUDHWBXSA-N 0 3 354.838 2.601 20 5 FFBDHN CCCN1CCC[C@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000330918335 258173572 /nfs/dbraw/zinc/17/35/72/258173572.db2.gz MZROBBOGGSGYMI-SFHVURJKSA-N 0 3 361.442 2.839 20 5 FFBDHN CC(C)c1ccc(CN[C@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000331023909 258175307 /nfs/dbraw/zinc/17/53/07/258175307.db2.gz RWHWGGNYOGLGIZ-HOTGVXAUSA-N 0 3 369.487 2.668 20 5 FFBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000332075797 258212669 /nfs/dbraw/zinc/21/26/69/258212669.db2.gz FWQNKAQGXRRGMH-WCQYABFASA-N 0 3 369.368 2.895 20 5 FFBDHN CCN(CCNC(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000121100302 509127860 /nfs/dbraw/zinc/12/78/60/509127860.db2.gz YNNUAJVMQMYHGI-UHFFFAOYSA-N 0 3 356.220 2.571 20 5 FFBDHN C[C@@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H](C)C1 ZINC000053160503 506324041 /nfs/dbraw/zinc/32/40/41/506324041.db2.gz JAHANGZZVCXIMP-GJZGRUSLSA-N 0 3 371.441 2.631 20 5 FFBDHN CCCN1CCC(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)CC1 ZINC000065971087 506402842 /nfs/dbraw/zinc/40/28/42/506402842.db2.gz GWUNCGFFPAYBFF-UHFFFAOYSA-N 0 3 369.487 2.652 20 5 FFBDHN C[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000053698819 506433795 /nfs/dbraw/zinc/43/37/95/506433795.db2.gz SVROPQDVIKZSNF-CQSZACIVSA-N 0 3 369.487 2.525 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000056527681 507037943 /nfs/dbraw/zinc/03/79/43/507037943.db2.gz QSSITQWJDUTRPW-HNNXBMFYSA-N 0 3 372.425 2.898 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000045948325 507050851 /nfs/dbraw/zinc/05/08/51/507050851.db2.gz OSDWFBGASOZICW-OLZOCXBDSA-N 0 3 350.419 2.988 20 5 FFBDHN C[C@@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])N(C)C1CC1 ZINC000068195859 507144239 /nfs/dbraw/zinc/14/42/39/507144239.db2.gz VDDVPDOWMFPUOC-QWRGUYRKSA-N 0 3 355.822 2.614 20 5 FFBDHN CN(C)CCOc1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000046724072 507181948 /nfs/dbraw/zinc/18/19/48/507181948.db2.gz PLBCCURAKANRKI-UHFFFAOYSA-N 0 3 359.382 2.553 20 5 FFBDHN CN(C)CCOc1ccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])cc1 ZINC000046722782 507182368 /nfs/dbraw/zinc/18/23/68/507182368.db2.gz YPIOSOSXGJSMJF-UHFFFAOYSA-N 0 3 372.425 2.976 20 5 FFBDHN C[C@@H]1CCCN(CCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000047145528 507272823 /nfs/dbraw/zinc/27/28/23/507272823.db2.gz HUFIMNVYTOMTLD-OAHLLOKOSA-N 0 3 360.458 2.657 20 5 FFBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000059850242 507504800 /nfs/dbraw/zinc/50/48/00/507504800.db2.gz ZGWIQHGHSIMCLL-SFHVURJKSA-N 0 3 353.422 2.918 20 5 FFBDHN CC(=O)Nc1cccc([C@@H](C)NC[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000028917731 507749218 /nfs/dbraw/zinc/74/92/18/507749218.db2.gz VQTBXTOPYYUWKN-ACJLOTCBSA-N 0 3 373.409 2.644 20 5 FFBDHN CCN1CCC[C@H]1CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000051341658 507762771 /nfs/dbraw/zinc/76/27/71/507762771.db2.gz GXZDJNUYWLJJJQ-AWEZNQCLSA-N 0 3 360.439 2.932 20 5 FFBDHN C[C@H]1C[C@H](C)CN(CCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000052305825 507805589 /nfs/dbraw/zinc/80/55/89/507805589.db2.gz SFPCRGXIYKTGND-KBPBESRZSA-N 0 3 369.487 2.778 20 5 FFBDHN Cc1cc2ncc([C@@H](C)NCCOc3ccc([N+](=O)[O-])cc3)c(C)n2n1 ZINC000089580990 507847297 /nfs/dbraw/zinc/84/72/97/507847297.db2.gz WEYSOVKAQYBHTI-CYBMUJFWSA-N 0 3 355.398 2.984 20 5 FFBDHN Cc1ccc([C@@H](C)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000090015360 507902108 /nfs/dbraw/zinc/90/21/08/507902108.db2.gz XFHRMDDSPGBDAW-CQSZACIVSA-N 0 3 363.439 2.532 20 5 FFBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C2 ZINC000073994748 507975305 /nfs/dbraw/zinc/97/53/05/507975305.db2.gz VEYBLLVOBSLLCF-GOEBONIOSA-N 0 3 358.442 2.504 20 5 FFBDHN CCN1CCC[C@@H]1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079771252 507999899 /nfs/dbraw/zinc/99/98/99/507999899.db2.gz MMOIPWPUZUVUJQ-LLVKDONJSA-N 0 3 356.220 2.571 20 5 FFBDHN CCCCN1CCCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000110264323 508017095 /nfs/dbraw/zinc/01/70/95/508017095.db2.gz RTDSUUKWUZJMAZ-MRXNPFEDSA-N 0 3 369.487 2.836 20 5 FFBDHN CCN1CCCC[C@@H]1CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000110992509 508064003 /nfs/dbraw/zinc/06/40/03/508064003.db2.gz PMGBJZIJPOYQAR-GFCCVEGCSA-N 0 3 367.471 2.930 20 5 FFBDHN CC(C)OCCN1CCC(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000081997853 508224205 /nfs/dbraw/zinc/22/42/05/508224205.db2.gz YTIRIOYPQCPEMB-UHFFFAOYSA-N 0 3 374.441 2.695 20 5 FFBDHN CN(C)[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CC1 ZINC000076925726 508263391 /nfs/dbraw/zinc/26/33/91/508263391.db2.gz YWURNMDBBPGVFL-HXUWFJFHSA-N 0 3 363.461 2.611 20 5 FFBDHN C[C@@H]1CN(CCCCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H](C)O1 ZINC000085456942 508309675 /nfs/dbraw/zinc/30/96/75/508309675.db2.gz AHAJRVYAZGPOCG-ZIAGYGMSSA-N 0 3 374.441 2.695 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CC1CCN(C)CC1 ZINC000103450220 508312348 /nfs/dbraw/zinc/31/23/48/508312348.db2.gz BDKNHVWZNBCAIW-LBPRGKRZSA-N 0 3 369.849 2.816 20 5 FFBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000121778971 508416998 /nfs/dbraw/zinc/41/69/98/508416998.db2.gz KNXKELPOKAIJDE-MRXNPFEDSA-N 0 3 358.442 2.753 20 5 FFBDHN COc1cc(C(=O)NCCCN(C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000133818632 508454490 /nfs/dbraw/zinc/45/44/90/508454490.db2.gz BNRQEJGBLCKLTH-UHFFFAOYSA-N 0 3 357.410 2.855 20 5 FFBDHN Cc1c(NC(=O)CCN2CCc3ccccc3[C@H]2CO)cccc1[N+](=O)[O-] ZINC000133846343 508457878 /nfs/dbraw/zinc/45/78/78/508457878.db2.gz NLXNNHQJMYFSJJ-LJQANCHMSA-N 0 3 369.421 2.824 20 5 FFBDHN CN(C)CCn1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cn1 ZINC000116198723 508486366 /nfs/dbraw/zinc/48/63/66/508486366.db2.gz ALBBXQHDYANORI-UHFFFAOYSA-N 0 3 359.411 2.820 20 5 FFBDHN Cc1c(CC(=O)N(CCN(C)C)Cc2cccc(O)c2)cccc1[N+](=O)[O-] ZINC000153568755 508599979 /nfs/dbraw/zinc/59/99/79/508599979.db2.gz CRTMLEMLTHIRFV-UHFFFAOYSA-N 0 3 371.437 2.742 20 5 FFBDHN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000153774869 508645763 /nfs/dbraw/zinc/64/57/63/508645763.db2.gz TWUUVTZSDWJKBG-KYJSFNMBSA-N 0 3 363.458 2.645 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1CCCC[C@H]1n1cccn1 ZINC000128934333 508661256 /nfs/dbraw/zinc/66/12/56/508661256.db2.gz WAOZLSXXRHUMIO-DOTOQJQBSA-N 0 3 357.414 2.812 20 5 FFBDHN CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)C1CCN(C)CC1 ZINC000158353487 508692098 /nfs/dbraw/zinc/69/20/98/508692098.db2.gz RIHAGHBOOUXXSA-UHFFFAOYSA-N 0 3 356.220 2.524 20 5 FFBDHN Cc1c([C@@H](C)NCc2cccnc2N2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000158482679 508710963 /nfs/dbraw/zinc/71/09/63/508710963.db2.gz BIYFVRHCDVXSTL-MRXNPFEDSA-N 0 3 369.469 2.901 20 5 FFBDHN CCN(CCO)Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000158680654 508738430 /nfs/dbraw/zinc/73/84/30/508738430.db2.gz PZWIJPUOCVEBBT-UHFFFAOYSA-N 0 3 360.410 2.997 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CN1C1CC1 ZINC000154241950 508743888 /nfs/dbraw/zinc/74/38/88/508743888.db2.gz IUVIJSUCHKKNRE-DZGCQCFKSA-N 0 3 358.442 2.894 20 5 FFBDHN O=[N+]([O-])c1ccc(CN2CCC(CCN3CCOCC3)CC2)cc1F ZINC000367266722 512416158 /nfs/dbraw/zinc/41/61/58/512416158.db2.gz JDLYEFWPSCZISV-UHFFFAOYSA-N 0 3 351.422 2.668 20 5 FFBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000124068731 508779167 /nfs/dbraw/zinc/77/91/67/508779167.db2.gz ABLFHMQMMMCBHJ-CJNGLKHVSA-N 0 3 371.441 2.550 20 5 FFBDHN COc1cc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000119588304 508823883 /nfs/dbraw/zinc/82/38/83/508823883.db2.gz BWGZVRNRUNFATM-YOEHRIQHSA-N 0 3 369.421 2.854 20 5 FFBDHN CCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)CC1 ZINC000130893050 508861881 /nfs/dbraw/zinc/86/18/81/508861881.db2.gz FWPYJJORFSRMES-UHFFFAOYSA-N 0 3 367.471 2.547 20 5 FFBDHN Cc1ccccc1[C@@H](C)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000159646310 508870198 /nfs/dbraw/zinc/87/01/98/508870198.db2.gz GORNCKDTPADOPA-CQSZACIVSA-N 0 3 363.439 2.532 20 5 FFBDHN O=c1ccc([N+](=O)[O-])cn1CCN(CCCO)[C@@H]1CCCc2ccccc21 ZINC000159871196 508903988 /nfs/dbraw/zinc/90/39/88/508903988.db2.gz FEHFGWSFOGTRTO-LJQANCHMSA-N 0 3 371.437 2.519 20 5 FFBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCC(=O)OC(C)(C)C ZINC000150898618 508917505 /nfs/dbraw/zinc/91/75/05/508917505.db2.gz KOXNNBIJMWFHJG-UHFFFAOYSA-N 0 3 351.403 2.587 20 5 FFBDHN COc1ccc(NC(=O)CCN2CC[C@@H](OCC(C)C)C2)c([N+](=O)[O-])c1 ZINC000120075626 508922617 /nfs/dbraw/zinc/92/26/17/508922617.db2.gz PBXCENYUNPKSMB-OAHLLOKOSA-N 0 3 365.430 2.679 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3CCCS3(=O)=O)s2)cc1 ZINC000131735727 508964935 /nfs/dbraw/zinc/96/49/35/508964935.db2.gz QQVKSBCCSMOTSA-HNNXBMFYSA-N 0 3 366.464 2.990 20 5 FFBDHN CCOC(=O)c1ccnc(N2CCC[C@@H]2CN2CCCCC2)c1[N+](=O)[O-] ZINC000160440547 508987605 /nfs/dbraw/zinc/98/76/05/508987605.db2.gz GRNXWTWTIZZVHX-CQSZACIVSA-N 0 3 362.430 2.621 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H]1CC(C)(C)OC1(C)C ZINC000132405352 509027125 /nfs/dbraw/zinc/02/71/25/509027125.db2.gz FFRCPAKJSSRDCV-IAQYHMDHSA-N 0 3 365.430 2.866 20 5 FFBDHN CCCc1n[nH]c(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)c1[N+](=O)[O-] ZINC000151993072 509125849 /nfs/dbraw/zinc/12/58/49/509125849.db2.gz CVDLQWZRUVPMJD-AWEZNQCLSA-N 0 3 359.430 2.824 20 5 FFBDHN N[C@@H](Cc1ccccc1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000161975791 509167399 /nfs/dbraw/zinc/16/73/99/509167399.db2.gz FSIZLBPYDRPRQA-IBGZPJMESA-N 0 3 369.421 2.535 20 5 FFBDHN CCO[C@@H]1C[C@H](N(C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000248279766 509267962 /nfs/dbraw/zinc/26/79/62/509267962.db2.gz URQFUOCXNHXYGA-BPQIPLTHSA-N 0 3 364.442 2.614 20 5 FFBDHN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NCCn1cc([N+](=O)[O-])cn1 ZINC000185634265 509276512 /nfs/dbraw/zinc/27/65/12/509276512.db2.gz ZMYMWMMYOJCDLV-SECBINFHSA-N 0 3 360.340 2.518 20 5 FFBDHN COc1cc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)c([N+](=O)[O-])cc1[O-] ZINC000185704246 509313466 /nfs/dbraw/zinc/31/34/66/509313466.db2.gz SFZGRZLLDJRMRS-UHFFFAOYSA-N 0 3 373.409 2.624 20 5 FFBDHN Cc1n[nH]c(C)c1[C@H]1CCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248463597 509333449 /nfs/dbraw/zinc/33/34/49/509333449.db2.gz QRMLLJIYZBAMSG-GDBMZVCRSA-N 0 3 360.414 2.512 20 5 FFBDHN CN1CCC[C@@H](CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000182657057 509354050 /nfs/dbraw/zinc/35/40/50/509354050.db2.gz OCWWPFLZWSOYFX-NSHDSACASA-N 0 3 357.863 2.798 20 5 FFBDHN CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1c2ccccc2-c2ccccc21 ZINC000176434614 509508542 /nfs/dbraw/zinc/50/85/42/509508542.db2.gz SMVFLHOWCSLRMI-OAHLLOKOSA-N 0 3 364.405 2.854 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000248901868 509535329 /nfs/dbraw/zinc/53/53/29/509535329.db2.gz UNMXMMYRDXQWRK-DNVCBOLYSA-N 0 3 368.437 2.915 20 5 FFBDHN CCc1n[nH]c(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000189428432 509571251 /nfs/dbraw/zinc/57/12/51/509571251.db2.gz ITEMIXAXBQLOTI-LJQANCHMSA-N 0 3 371.441 2.665 20 5 FFBDHN CN(C(=O)c1cccc([N+](=O)[O-])c1N)C1CCN(Cc2ccccc2)CC1 ZINC000176684290 509639353 /nfs/dbraw/zinc/63/93/53/509639353.db2.gz WCQDDLRHKHKEPV-UHFFFAOYSA-N 0 3 368.437 2.914 20 5 FFBDHN CN(C)[C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000267897129 509661447 /nfs/dbraw/zinc/66/14/47/509661447.db2.gz ACVNLRBLBOMODV-SNVBAGLBSA-N 0 3 374.210 2.663 20 5 FFBDHN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCCN1CCCC1 ZINC000183373184 509745958 /nfs/dbraw/zinc/74/59/58/509745958.db2.gz NXVMYBAHDGWOBE-UHFFFAOYSA-N 0 3 374.363 2.628 20 5 FFBDHN CN1CC[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000180139795 509773335 /nfs/dbraw/zinc/77/33/35/509773335.db2.gz AXLFVZDXEIDHHF-KXBFYZLASA-N 0 3 355.394 2.535 20 5 FFBDHN CN1CCC(N(Cc2ccco2)C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000264939415 509786114 /nfs/dbraw/zinc/78/61/14/509786114.db2.gz VLGHCLBRSZHRSG-UHFFFAOYSA-N 0 3 372.425 2.723 20 5 FFBDHN CCC1(CC)[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1OC ZINC000186608802 509800375 /nfs/dbraw/zinc/80/03/75/509800375.db2.gz SZNVJRYFVMMFTN-HZPDHXFCSA-N 0 3 370.471 2.552 20 5 FFBDHN CCOC(=O)C[C@@](C)(NCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000186667510 509839050 /nfs/dbraw/zinc/83/90/50/509839050.db2.gz DQHQCPQJRDTNIL-GOSISDBHSA-N 0 3 365.430 2.799 20 5 FFBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183630261 509895836 /nfs/dbraw/zinc/89/58/36/509895836.db2.gz IWGOEKGLUAGFKN-UHFFFAOYSA-N 0 3 361.377 2.725 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000171025423 509896034 /nfs/dbraw/zinc/89/60/34/509896034.db2.gz XCZLEKKSYFWQFR-UHFFFAOYSA-N 0 3 360.389 2.641 20 5 FFBDHN C[C@H](NCCCN1C(=O)c2ccccc2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000180393975 509901140 /nfs/dbraw/zinc/90/11/40/509901140.db2.gz NAFXBWNLZVXJLT-ZDUSSCGKSA-N 0 3 353.378 2.932 20 5 FFBDHN C[C@H]1C[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2Br)CCN1C ZINC000180571851 509992234 /nfs/dbraw/zinc/99/22/34/509992234.db2.gz IIQOVIONKJONOW-QWRGUYRKSA-N 0 3 370.247 2.912 20 5 FFBDHN CCc1ccc([C@@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])N(C)C)cc1 ZINC000180605735 510010127 /nfs/dbraw/zinc/01/01/27/510010127.db2.gz SNVJZBKEBUMONF-QGZVFWFLSA-N 0 3 356.426 2.772 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000193723361 510036383 /nfs/dbraw/zinc/03/63/83/510036383.db2.gz QVWFQQUIBIJMAR-ZIAGYGMSSA-N 0 3 364.446 2.523 20 5 FFBDHN CN1CC[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000245624633 510044706 /nfs/dbraw/zinc/04/47/06/510044706.db2.gz GEVKTJXBAXACDR-SJLPKXTDSA-N 0 3 354.410 2.839 20 5 FFBDHN CCN1CCCC[C@@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184620850 510421817 /nfs/dbraw/zinc/42/18/17/510421817.db2.gz LQRPUEUYLDOCMF-CQSZACIVSA-N 0 3 354.838 2.922 20 5 FFBDHN CCc1n[nH]c(C(=O)NCC(C)(C)N2CCC[C@H](CC)C2)c1[N+](=O)[O-] ZINC000171873166 510423576 /nfs/dbraw/zinc/42/35/76/510423576.db2.gz PPZJULSRLGODQD-LBPRGKRZSA-N 0 3 351.451 2.511 20 5 FFBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C2 ZINC000175202498 510528873 /nfs/dbraw/zinc/52/88/73/510528873.db2.gz QYWPXYXPGNQJMG-FUHWJXTLSA-N 0 3 360.458 2.796 20 5 FFBDHN O=C(CCN(CCO)Cc1ccccc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000181681067 510536957 /nfs/dbraw/zinc/53/69/57/510536957.db2.gz KAKMEYXNBYTKEW-UHFFFAOYSA-N 0 3 361.373 2.557 20 5 FFBDHN COc1ccc(CN(C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1C ZINC000181746129 510571633 /nfs/dbraw/zinc/57/16/33/510571633.db2.gz JXVVNJZWVUODJO-MRXNPFEDSA-N 0 3 360.410 2.784 20 5 FFBDHN CN(C)CCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C1CCCCC1 ZINC000181781562 510588531 /nfs/dbraw/zinc/58/85/31/510588531.db2.gz QHOHKJXSGQWLBQ-UHFFFAOYSA-N 0 3 363.414 2.660 20 5 FFBDHN CN(Cc1c(F)cccc1[N+](=O)[O-])C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188277587 510685580 /nfs/dbraw/zinc/68/55/80/510685580.db2.gz BMGVGYLKQCISIC-HXUWFJFHSA-N 0 3 373.428 2.803 20 5 FFBDHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000246880017 510724811 /nfs/dbraw/zinc/72/48/11/510724811.db2.gz FVOMDHJWBZCQQZ-CVEARBPZSA-N 0 3 358.442 2.868 20 5 FFBDHN CC(C)(C)OC(=O)NC[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000185232452 510760772 /nfs/dbraw/zinc/76/07/72/510760772.db2.gz FQVMSKJOSXMPTE-HOTGVXAUSA-N 0 3 365.430 2.521 20 5 FFBDHN C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCN1C ZINC000182146753 510780577 /nfs/dbraw/zinc/78/05/77/510780577.db2.gz VMXLGUQQEITABK-QWRGUYRKSA-N 0 3 357.357 2.751 20 5 FFBDHN CC1CCN([C@@H](CNC(=O)c2nn(C)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000270737383 510967720 /nfs/dbraw/zinc/96/77/20/510967720.db2.gz FBJYDQCOMLOAAV-INIZCTEOSA-N 0 3 371.441 2.531 20 5 FFBDHN Cc1cc(C(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000270883630 511015590 /nfs/dbraw/zinc/01/55/90/511015590.db2.gz KKBPUFKKBBBMAQ-UHFFFAOYSA-N 0 3 374.485 2.534 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279313145 511041759 /nfs/dbraw/zinc/04/17/59/511041759.db2.gz OPCMKOMCYNLNJT-XPTSAGLGSA-N 0 3 355.797 2.529 20 5 FFBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@H](C)CCN1CCN(C)CC1 ZINC000294836998 511194769 /nfs/dbraw/zinc/19/47/69/511194769.db2.gz AZMHLXFMAQOKKI-CQSZACIVSA-N 0 3 373.457 2.590 20 5 FFBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)CS(=O)(=O)CC ZINC000271416935 511196850 /nfs/dbraw/zinc/19/68/50/511196850.db2.gz AZBPPPQOLBFYBB-QWHCGFSZSA-N 0 3 360.501 2.878 20 5 FFBDHN COC(=O)[C@@H]1CCO[C@H]1C1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000298295545 511237401 /nfs/dbraw/zinc/23/74/01/511237401.db2.gz PIQAMXQQHCYDBV-AEFFLSMTSA-N 0 3 362.426 2.693 20 5 FFBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000295387622 511386486 /nfs/dbraw/zinc/38/64/86/511386486.db2.gz RECPLVVOMDHWME-UGSOOPFHSA-N 0 3 369.425 2.684 20 5 FFBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)n1 ZINC000272243973 511476751 /nfs/dbraw/zinc/47/67/51/511476751.db2.gz NZEIRLMSQXOOJH-OAHLLOKOSA-N 0 3 373.461 2.837 20 5 FFBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)n1 ZINC000272243973 511476756 /nfs/dbraw/zinc/47/67/56/511476756.db2.gz NZEIRLMSQXOOJH-OAHLLOKOSA-N 0 3 373.461 2.837 20 5 FFBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)n1 ZINC000272243973 511476763 /nfs/dbraw/zinc/47/67/63/511476763.db2.gz NZEIRLMSQXOOJH-OAHLLOKOSA-N 0 3 373.461 2.837 20 5 FFBDHN Nc1ccc(NCc2ccccc2CN2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000283884043 511533279 /nfs/dbraw/zinc/53/32/79/511533279.db2.gz VISVPFLHVLJDMR-UHFFFAOYSA-N 0 3 356.426 2.746 20 5 FFBDHN Cc1ccc(S(=O)(=O)C[C@@H](C)NCCc2ccccc2[N+](=O)[O-])cc1 ZINC000273613357 511552090 /nfs/dbraw/zinc/55/20/90/511552090.db2.gz WSLQRXLGPFIPSZ-OAHLLOKOSA-N 0 3 362.451 2.898 20 5 FFBDHN CN1CCC[C@]2(CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)C2)C1 ZINC000296005603 511585992 /nfs/dbraw/zinc/58/59/92/511585992.db2.gz VXWIJLZTJWJEJA-IBGZPJMESA-N 0 3 369.425 2.543 20 5 FFBDHN CN1CC[C@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000284360810 511696525 /nfs/dbraw/zinc/69/65/25/511696525.db2.gz SVBKZABFYABFFC-QFBILLFUSA-N 0 3 354.410 2.568 20 5 FFBDHN CN(C(=O)[C@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000281180440 511749038 /nfs/dbraw/zinc/74/90/38/511749038.db2.gz QUBBSDCGTJHGGV-QFBILLFUSA-N 0 3 369.421 2.613 20 5 FFBDHN CN(C)Cc1ccccc1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000365977068 511761089 /nfs/dbraw/zinc/76/10/89/511761089.db2.gz MELLTDBEQYXOMA-UHFFFAOYSA-N 0 3 355.394 2.560 20 5 FFBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCC1(S(C)(=O)=O)CC1 ZINC000281222494 511763689 /nfs/dbraw/zinc/76/36/89/511763689.db2.gz UBZNQZBHKYTTDD-LBPRGKRZSA-N 0 3 358.485 2.632 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(N2CC=CC2)CC1 ZINC000281295336 511794523 /nfs/dbraw/zinc/79/45/23/511794523.db2.gz CUFOYYNNAGLWFY-UHFFFAOYSA-N 0 3 360.414 2.862 20 5 FFBDHN CCOc1ccc([C@@H](C)NCCCOCCOCCOC)cc1[N+](=O)[O-] ZINC000274537419 511867672 /nfs/dbraw/zinc/86/76/72/511867672.db2.gz BKHRQIOSESGAHR-OAHLLOKOSA-N 0 3 370.446 2.714 20 5 FFBDHN CN1CCO[C@H]2CCN(Cc3cc(=O)oc4ccc5ccccc5c34)C[C@@H]21 ZINC000284797599 511873901 /nfs/dbraw/zinc/87/39/01/511873901.db2.gz OITJSTREGISUNN-OALUTQOASA-N 0 3 364.445 2.851 20 5 FFBDHN CCCc1n[nH]c(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000274615575 511889389 /nfs/dbraw/zinc/88/93/89/511889389.db2.gz YHCDFFIQYUFSTD-WBMJQRKESA-N 0 3 359.430 2.692 20 5 FFBDHN Cc1c(NC(=O)[C@@H](C)N2CCN(C3CC3)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000296801137 511903497 /nfs/dbraw/zinc/90/34/97/511903497.db2.gz UECRVMFMPWIILU-UKRRQHHQSA-N 0 3 360.458 2.646 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)c1 ZINC000373942515 512584083 /nfs/dbraw/zinc/58/40/83/512584083.db2.gz HBGFQVZRSKPCQY-HOTGVXAUSA-N 0 3 361.442 2.615 20 5 FFBDHN Cc1c([C@H](C)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000376193886 512703716 /nfs/dbraw/zinc/70/37/16/512703716.db2.gz GMGZWZRCGCRMGK-LSDHHAIUSA-N 0 3 368.437 2.932 20 5 FFBDHN NC(=O)[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000411988809 512903523 /nfs/dbraw/zinc/90/35/23/512903523.db2.gz WIXXGFJTYITESR-JKSUJKDBSA-N 0 3 359.813 2.949 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000374593396 512907151 /nfs/dbraw/zinc/90/71/51/512907151.db2.gz JFTIWHXXQIGPAW-SQGPQFPESA-N 0 3 372.421 2.702 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](CCC[NH3+])c1ccccc1 ZINC000392979440 512930548 /nfs/dbraw/zinc/93/05/48/512930548.db2.gz OQRZGAODWZOFKE-HNNXBMFYSA-N 0 3 363.439 2.662 20 5 FFBDHN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H](N2CCCC2)C1 ZINC000372616823 512971027 /nfs/dbraw/zinc/97/10/27/512971027.db2.gz FJLPECHTZNHDEG-JSGCOSHPSA-N 0 3 366.849 2.745 20 5 FFBDHN C[C@@H]1CCCN(c2ccc(C(=O)N3C[C@@H]4CCN(C)[C@@H]4C3)cc2[N+](=O)[O-])C1 ZINC000408461376 513070914 /nfs/dbraw/zinc/07/09/14/513070914.db2.gz AEHREJFHPHIYNI-SIXWZSSISA-N 0 3 372.469 2.607 20 5 FFBDHN COc1cnccc1N1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421529882 513297666 /nfs/dbraw/zinc/29/76/66/513297666.db2.gz CTFLQNDLULVSAK-UHFFFAOYSA-N 0 3 370.409 2.578 20 5 FFBDHN C[C@@H]1CN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H](C)CN1 ZINC000418085803 513366928 /nfs/dbraw/zinc/36/69/28/513366928.db2.gz AXVBDGYVTBWFCZ-ZJUUUORDSA-N 0 3 360.336 2.505 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000450866130 513375006 /nfs/dbraw/zinc/37/50/06/513375006.db2.gz SXCOYTBRKHTASU-QGTPRVQTSA-N 0 3 359.426 2.779 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)C[C@@H]1CCCN1C ZINC000421704661 513376894 /nfs/dbraw/zinc/37/68/94/513376894.db2.gz PJQANXNNQIGJQR-AAEUAGOBSA-N 0 3 355.822 2.568 20 5 FFBDHN COc1ccc(-c2ccc(CN3CC[C@@]4(CNC(=O)C4)C3)o2)c([N+](=O)[O-])c1 ZINC000435048431 513498205 /nfs/dbraw/zinc/49/82/05/513498205.db2.gz AMLSOBYTJFPOSE-LJQANCHMSA-N 0 3 371.393 2.575 20 5 FFBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CC[C@@H]1N1CCN(C)CC1 ZINC000413211165 513524108 /nfs/dbraw/zinc/52/41/08/513524108.db2.gz HMEPURXIFSMFOW-WBVHZDCISA-N 0 3 369.469 2.605 20 5 FFBDHN O=C(CNc1ccc([N+](=O)[O-])c2ncccc12)NCCN1CCCCCC1 ZINC000413303006 513579489 /nfs/dbraw/zinc/57/94/89/513579489.db2.gz NPXGDCFPSAUALO-UHFFFAOYSA-N 0 3 371.441 2.547 20 5 FFBDHN COCCN1CCC(Nc2c(Cl)cc([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC000447818833 513581968 /nfs/dbraw/zinc/58/19/68/513581968.db2.gz ZARZWSLKLNUZNA-UHFFFAOYSA-N 0 3 371.821 2.558 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 ZINC000430211262 513588875 /nfs/dbraw/zinc/58/88/75/513588875.db2.gz XHOPTXFDWRHADD-RLFYNMQTSA-N 0 3 363.458 2.677 20 5 FFBDHN COc1ccc(Cl)cc1C(C)(C)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000425507193 513608018 /nfs/dbraw/zinc/60/80/18/513608018.db2.gz DWVUALSFVZSYGZ-UHFFFAOYSA-N 0 3 365.817 2.943 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000447911009 513621922 /nfs/dbraw/zinc/62/19/22/513621922.db2.gz GXHTXROMRYCVLA-OAHLLOKOSA-N 0 3 350.419 2.845 20 5 FFBDHN COc1ccc(NC(=O)NC[C@H]2N(C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000448005174 513655903 /nfs/dbraw/zinc/65/59/03/513655903.db2.gz SXKRKRIOGVJNDU-OAHLLOKOSA-N 0 3 350.419 2.845 20 5 FFBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CCC[C@H](C)C1 ZINC000448706585 513857393 /nfs/dbraw/zinc/85/73/93/513857393.db2.gz ZIGMNKISNLXKOM-LSDHHAIUSA-N 0 3 371.441 2.631 20 5 FFBDHN CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000451600601 513858312 /nfs/dbraw/zinc/85/83/12/513858312.db2.gz RMKZZTSYXQAVIJ-OCCSQVGLSA-N 0 3 354.378 2.954 20 5 FFBDHN CN(C)CCOc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000413898386 513872136 /nfs/dbraw/zinc/87/21/36/513872136.db2.gz GIFMDBNTJRFDOJ-UHFFFAOYSA-N 0 3 361.373 2.856 20 5 FFBDHN O=C(CNc1ccc([N+](=O)[O-])cc1Cl)NCCN1CCCCCC1 ZINC000431502813 513912660 /nfs/dbraw/zinc/91/26/60/513912660.db2.gz RYJKNXXQGQHOFF-UHFFFAOYSA-N 0 3 354.838 2.652 20 5 FFBDHN CCCN(CCN1CCCC1)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451694137 513915619 /nfs/dbraw/zinc/91/56/19/513915619.db2.gz LWUOPJJLCWTUIS-UHFFFAOYSA-N 0 3 371.441 2.729 20 5 FFBDHN CC(C)CN(CCN(C)C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448908298 513963563 /nfs/dbraw/zinc/96/35/63/513963563.db2.gz FZJVWCXFKVVKNP-UHFFFAOYSA-N 0 3 359.430 2.645 20 5 FFBDHN COc1ccc(CNC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)cc1[N+](=O)[O-] ZINC000431674721 513965092 /nfs/dbraw/zinc/96/50/92/513965092.db2.gz UJZLSMDPVPIOEF-CJNGLKHVSA-N 0 3 374.397 2.874 20 5 FFBDHN C[C@@H](NC[C@H](O)Cn1ccnn1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414198114 514007233 /nfs/dbraw/zinc/00/72/33/514007233.db2.gz WBIUKQUWJOFZGE-OLZOCXBDSA-N 0 3 373.438 2.627 20 5 FFBDHN CS(=O)(=O)CC1(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000414321918 514047051 /nfs/dbraw/zinc/04/70/51/514047051.db2.gz DSZYTSKFFVVQGE-INIZCTEOSA-N 0 3 352.456 2.777 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000426881549 514067072 /nfs/dbraw/zinc/06/70/72/514067072.db2.gz JVXDQDHRECJWBO-INIZCTEOSA-N 0 3 357.410 2.506 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(c2nnc3n2CCNC3)CC1 ZINC000420360480 514109735 /nfs/dbraw/zinc/10/97/35/514109735.db2.gz WSZSKMDNGOVESR-CQSZACIVSA-N 0 3 370.457 2.539 20 5 FFBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](CO)c1ccc(F)cc1 ZINC000449380424 514186996 /nfs/dbraw/zinc/18/69/96/514186996.db2.gz MYKBKWUCEVSROG-SJKOYZFVSA-N 0 3 361.373 2.774 20 5 FFBDHN C[C@@H]1C[C@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000420602226 514197622 /nfs/dbraw/zinc/19/76/22/514197622.db2.gz OLQWAHCQYMZJKM-HIFRSBDPSA-N 0 3 354.410 2.769 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2NCCc3ccccc32)c1 ZINC000423682409 514200188 /nfs/dbraw/zinc/20/01/88/514200188.db2.gz VWPASGJHVPYZEI-QGZVFWFLSA-N 0 3 355.394 2.610 20 5 FFBDHN CC(C)[C@@H](CO)[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)C ZINC000449504574 514231498 /nfs/dbraw/zinc/23/14/98/514231498.db2.gz AASFCZJKLNWWAT-IAGOWNOFSA-N 0 3 352.431 2.840 20 5 FFBDHN CC[C@H](NCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-])[C@H](C)O ZINC000449537621 514246430 /nfs/dbraw/zinc/24/64/30/514246430.db2.gz GFNHBMDQTIBPAX-ONGXEEELSA-N 0 3 366.336 2.794 20 5 FFBDHN COCCNCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414885170 514340660 /nfs/dbraw/zinc/34/06/60/514340660.db2.gz OHTXQPADOQYEHX-UHFFFAOYSA-N 0 3 353.806 2.834 20 5 FFBDHN CN1CCNC[C@H]1CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414978830 514385103 /nfs/dbraw/zinc/38/51/03/514385103.db2.gz SOSNIKNHCWXCOA-ZDUSSCGKSA-N 0 3 364.833 2.501 20 5 FFBDHN COc1ccc(-c2ccc(CN[C@@H]3CNCCC3(F)F)o2)c([N+](=O)[O-])c1 ZINC000414993631 514391016 /nfs/dbraw/zinc/39/10/16/514391016.db2.gz CSAJIUGFCKMSJJ-MRXNPFEDSA-N 0 3 367.352 2.950 20 5 FFBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCN3CCc4ccccc43)C2)nc1 ZINC000428386149 514463527 /nfs/dbraw/zinc/46/35/27/514463527.db2.gz WQJKEKUMVKUYCO-INIZCTEOSA-N 0 3 353.426 2.539 20 5 FFBDHN CN(C)C1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)Cc2ccccc2C1 ZINC000466003553 514536681 /nfs/dbraw/zinc/53/66/81/514536681.db2.gz GEZCQBMAXIOJEL-UHFFFAOYSA-N 0 3 354.410 2.816 20 5 FFBDHN CCOC(=O)[C@@]1(COC)CCCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000439484837 514563191 /nfs/dbraw/zinc/56/31/91/514563191.db2.gz FTFLJRHNYIJMST-KSSFIOAISA-N 0 3 350.415 2.948 20 5 FFBDHN CN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475322270 514619943 /nfs/dbraw/zinc/61/99/43/514619943.db2.gz OKQSCELPLGVWNC-GOSISDBHSA-N 0 3 369.421 2.707 20 5 FFBDHN CN(C)CC1(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000466578815 514699388 /nfs/dbraw/zinc/69/93/88/514699388.db2.gz URONERSBISIXDL-UHFFFAOYSA-N 0 3 357.863 2.941 20 5 FFBDHN COc1cc(CN2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000489231148 514761190 /nfs/dbraw/zinc/76/11/90/514761190.db2.gz IPQZPDOHUQGPPA-UXLLHSPISA-N 0 3 363.458 2.677 20 5 FFBDHN COc1cc(CN2CCN(C)C[C@H]2C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000471205028 514796322 /nfs/dbraw/zinc/79/63/22/514796322.db2.gz RENYPZYGFDGGJN-AWEZNQCLSA-N 0 3 373.400 2.977 20 5 FFBDHN Cc1c(CNC(=O)N(CCN(C)C)Cc2ccco2)cccc1[N+](=O)[O-] ZINC000480065990 514829798 /nfs/dbraw/zinc/82/97/98/514829798.db2.gz WYIPSDXTICXFIJ-UHFFFAOYSA-N 0 3 360.414 2.770 20 5 FFBDHN CCN(CC)C[C@H](C)Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000480489939 514974197 /nfs/dbraw/zinc/97/41/97/514974197.db2.gz LZKXVNWYJGAZHD-ZDUSSCGKSA-N 0 3 359.430 2.702 20 5 FFBDHN CCN1CCN(c2ccc(CN[C@H](C)c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000480731676 515062188 /nfs/dbraw/zinc/06/21/88/515062188.db2.gz QPOCWKCKKNNETQ-MRXNPFEDSA-N 0 3 369.469 2.983 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000467710925 515088960 /nfs/dbraw/zinc/08/89/60/515088960.db2.gz OUFNTROXSZXOKS-OTYXRUKQSA-N 0 3 368.231 2.570 20 5 FFBDHN Cc1ccccc1CN1CCC(NC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000485652874 515129178 /nfs/dbraw/zinc/12/91/78/515129178.db2.gz BSHQTDMFRHATID-UHFFFAOYSA-N 0 3 356.426 2.636 20 5 FFBDHN COCCO[C@H]1COCC[C@@H]1NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000485686423 515141255 /nfs/dbraw/zinc/14/12/55/515141255.db2.gz JOUQXHPEAGIDCU-WMZOPIPTSA-N 0 3 352.431 2.628 20 5 FFBDHN COCCO[C@@H]1COCC[C@H]1NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000485686422 515141901 /nfs/dbraw/zinc/14/19/01/515141901.db2.gz JOUQXHPEAGIDCU-SJLPKXTDSA-N 0 3 352.431 2.628 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CCN(C(C)C)C(C)C ZINC000503979381 515187536 /nfs/dbraw/zinc/18/75/36/515187536.db2.gz SZVMEBHDSUTMGC-UHFFFAOYSA-N 0 3 357.476 2.643 20 5 FFBDHN C[C@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)N1CCCCCC1 ZINC000509674187 515283561 /nfs/dbraw/zinc/28/35/61/515283561.db2.gz ZKLOSCOBTMRZDP-MRXNPFEDSA-N 0 3 360.458 2.508 20 5 FFBDHN CCOC(=O)C[C@](C)(NCC(=O)Nc1c(C)cccc1[N+](=O)[O-])C(C)C ZINC000481709463 515434760 /nfs/dbraw/zinc/43/47/60/515434760.db2.gz VYTIJHHUOOOWNZ-SFHVURJKSA-N 0 3 365.430 2.799 20 5 FFBDHN C[C@@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCCCCC1 ZINC000510180946 515460617 /nfs/dbraw/zinc/46/06/17/515460617.db2.gz NTLYGKREDCQHND-INIZCTEOSA-N 0 3 360.458 2.508 20 5 FFBDHN CC(C)(C)CCN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000477472310 515469241 /nfs/dbraw/zinc/46/92/41/515469241.db2.gz FLCPBUIXFFDWKX-UHFFFAOYSA-N 0 3 351.422 2.857 20 5 FFBDHN CC(C)(CN1CCCC1)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000457059684 515614921 /nfs/dbraw/zinc/61/49/21/515614921.db2.gz WUNMHOKNZJFOKC-UHFFFAOYSA-N 0 3 357.357 2.800 20 5 FFBDHN CC1(C)CCCN1CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000457063574 515617711 /nfs/dbraw/zinc/61/77/11/515617711.db2.gz WHATYRYRNNCMET-UHFFFAOYSA-N 0 3 370.247 2.962 20 5 FFBDHN COc1cccc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000494036223 515716943 /nfs/dbraw/zinc/71/69/43/515716943.db2.gz DEZNCQOWQQNQJD-YOEHRIQHSA-N 0 3 369.421 2.996 20 5 FFBDHN Cc1c(CNC(=O)NCc2ccc(CN(C)C)cc2)cccc1[N+](=O)[O-] ZINC000478485738 515844037 /nfs/dbraw/zinc/84/40/37/515844037.db2.gz UTBBCOHPEZNFRF-UHFFFAOYSA-N 0 3 356.426 2.964 20 5 FFBDHN Cc1cccc(CN(CCN(C)C)C(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000487564459 515906505 /nfs/dbraw/zinc/90/65/05/515906505.db2.gz OAVMSMQPSPOAOS-UHFFFAOYSA-N 0 3 371.437 2.872 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CN1C1CC1 ZINC000487819715 515990678 /nfs/dbraw/zinc/99/06/78/515990678.db2.gz QCAGYOWAQVDGCG-BXUZGUMPSA-N 0 3 366.849 2.715 20 5 FFBDHN CN(C)C[C@H]1CCCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000464924071 516017516 /nfs/dbraw/zinc/01/75/16/516017516.db2.gz RYFRMRYAWMWZAN-CYBMUJFWSA-N 0 3 355.822 2.570 20 5 FFBDHN CC1CCN(c2ccc(C(=O)N3CCC[C@H]3CN(C)C)cc2[N+](=O)[O-])CC1 ZINC000464928407 516019496 /nfs/dbraw/zinc/01/94/96/516019496.db2.gz XRTQPBUISWIBKW-KRWDZBQOSA-N 0 3 374.485 2.997 20 5 FFBDHN CCCCN(C)CCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000487897468 516024070 /nfs/dbraw/zinc/02/40/70/516024070.db2.gz NVSMDAMZQMEJLL-UHFFFAOYSA-N 0 3 356.854 2.822 20 5 FFBDHN CS[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H]1N1CCCC1 ZINC000483386856 516057593 /nfs/dbraw/zinc/05/75/93/516057593.db2.gz MVDSUBMNRKALQQ-GJZGRUSLSA-N 0 3 369.874 2.900 20 5 FFBDHN CC(C)[C@@H]1CN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN1C ZINC000488083089 516111120 /nfs/dbraw/zinc/11/11/20/516111120.db2.gz YVZUBHVWHNWPAX-LRDDRELGSA-N 0 3 368.865 2.847 20 5 FFBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000488087552 516112916 /nfs/dbraw/zinc/11/29/16/516112916.db2.gz WUEJIHGHSWHNLO-GASCZTMLSA-N 0 3 371.441 2.773 20 5 FFBDHN CC(=Cc1cccc([N+](=O)[O-])c1)CN1CCC(N2CCCNC2=O)CC1 ZINC000470169515 516158682 /nfs/dbraw/zinc/15/86/82/516158682.db2.gz FXBFPCOYEUCKBG-NTCAYCPXSA-N 0 3 358.442 2.878 20 5 FFBDHN CCC[C@@](C)(N)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000496221916 516245650 /nfs/dbraw/zinc/24/56/50/516245650.db2.gz LAKSJERZHZFEMZ-CQSZACIVSA-N 0 3 362.352 2.659 20 5 FFBDHN COc1ccc(OCCN(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000488613301 516275291 /nfs/dbraw/zinc/27/52/91/516275291.db2.gz ZXPNGSMYEKABGX-UHFFFAOYSA-N 0 3 373.409 2.943 20 5 FFBDHN CCN1C[C@@H](C)N(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C[C@H]1C ZINC000497558323 516326447 /nfs/dbraw/zinc/32/64/47/516326447.db2.gz NZNYULTUHCWNQF-HUUCEWRRSA-N 0 3 360.458 2.750 20 5 FFBDHN CC(C)(C)CCN1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000535431796 516353150 /nfs/dbraw/zinc/35/31/50/516353150.db2.gz WUYSDXFOOGRBJT-UHFFFAOYSA-N 0 3 362.474 2.901 20 5 FFBDHN COc1ccc(C(=O)NCCN[C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000540193735 516467916 /nfs/dbraw/zinc/46/79/16/516467916.db2.gz CLEMBPSUEOHGEX-CQSZACIVSA-N 0 3 357.410 2.992 20 5 FFBDHN C[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc2n[nH]cc2c1 ZINC000513204573 516519613 /nfs/dbraw/zinc/51/96/13/516519613.db2.gz GPDSHWOKSUJUQU-BLLLJJGKSA-N 0 3 356.382 2.562 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1[C@@H](C)[C@@H](OC)C1(C)C ZINC000561503287 516620370 /nfs/dbraw/zinc/62/03/70/516620370.db2.gz ACWWSPUXDODKNA-OXUXUCFPSA-N 0 3 365.430 2.580 20 5 FFBDHN CN(CCN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)Cc1ccccc1 ZINC000513446028 516626710 /nfs/dbraw/zinc/62/67/10/516626710.db2.gz BMCZZCYYBUXEOX-UHFFFAOYSA-N 0 3 368.481 2.844 20 5 FFBDHN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c(CN(C)C)c1 ZINC000540720799 516683684 /nfs/dbraw/zinc/68/36/84/516683684.db2.gz BTPRZISUCVMVOO-UHFFFAOYSA-N 0 3 371.393 2.988 20 5 FFBDHN C[C@@H](c1ccccc1)N1CCC(Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000558598248 516828297 /nfs/dbraw/zinc/82/82/97/516828297.db2.gz DNLNCUDPWSBNBD-ZDUSSCGKSA-N 0 3 369.425 2.726 20 5 FFBDHN COc1cc(C(=O)NCC(C)(C)N2CCCCC2)cc([N+](=O)[O-])c1OC ZINC000525009675 516895865 /nfs/dbraw/zinc/89/58/65/516895865.db2.gz CVRCHKGFAAWKCI-UHFFFAOYSA-N 0 3 365.430 2.606 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000525105568 516917108 /nfs/dbraw/zinc/91/71/08/516917108.db2.gz IYQRQKQRTFHKTD-MDZLAQPJSA-N 0 3 355.822 2.614 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000541314436 516982736 /nfs/dbraw/zinc/98/27/36/516982736.db2.gz FNWUOFVLXCSKGH-OKILXGFUSA-N 0 3 364.446 2.666 20 5 FFBDHN CN(C)CCOc1cc(-c2noc(-c3ccc(F)cc3[N+](=O)[O-])n2)ccn1 ZINC000545070188 517040436 /nfs/dbraw/zinc/04/04/36/517040436.db2.gz LANYHUZMTYIYDA-UHFFFAOYSA-N 0 3 373.344 2.786 20 5 FFBDHN C[C@@H]([NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCCCC1 ZINC000541564636 517113818 /nfs/dbraw/zinc/11/38/18/517113818.db2.gz ANXKFIXFHNAYTC-CQSZACIVSA-N 0 3 369.487 2.822 20 5 FFBDHN COC1CCN(C(C)(C)CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000541831824 517237448 /nfs/dbraw/zinc/23/74/48/517237448.db2.gz DDFLAGVFOHQMRZ-UHFFFAOYSA-N 0 3 368.409 2.745 20 5 FFBDHN C[C@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1C ZINC000520264883 517324949 /nfs/dbraw/zinc/32/49/49/517324949.db2.gz BPVXPQAVXJYHPG-HUUCEWRRSA-N 0 3 364.446 2.536 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1-c1nc(-c2cccc(OCCN(C)C)c2)no1 ZINC000545693702 517334346 /nfs/dbraw/zinc/33/43/46/517334346.db2.gz BKOWGEJSKUJXAJ-UHFFFAOYSA-N 0 3 369.381 2.956 20 5 FFBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000520760070 517502794 /nfs/dbraw/zinc/50/27/94/517502794.db2.gz KSYTXNIOIUORNK-GASCZTMLSA-N 0 3 371.441 2.773 20 5 FFBDHN COc1ccc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1Cl ZINC000520797958 517515782 /nfs/dbraw/zinc/51/57/82/517515782.db2.gz MFSCHKHREJQEIZ-CYBMUJFWSA-N 0 3 366.801 2.786 20 5 FFBDHN COc1ccc2c(c1)OC[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000562990946 517564074 /nfs/dbraw/zinc/56/40/74/517564074.db2.gz ITMDSOLOYOGDJM-AWEZNQCLSA-N 0 3 371.393 2.525 20 5 FFBDHN [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000563062992 517625279 /nfs/dbraw/zinc/62/52/79/517625279.db2.gz KNCSWTLTHAIYMJ-LSDHHAIUSA-N 0 3 357.414 2.643 20 5 FFBDHN Cc1cc(-c2nc(-c3ccnc(OCCN(C)C)c3)no2)cc([N+](=O)[O-])c1 ZINC000546463324 517688729 /nfs/dbraw/zinc/68/87/29/517688729.db2.gz YHSLPAZQZFJRHY-UHFFFAOYSA-N 0 3 369.381 2.956 20 5 FFBDHN CS[C@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C[C@H]1N(C)C ZINC000546549689 517720799 /nfs/dbraw/zinc/72/07/99/517720799.db2.gz MMHRVFLSTVJZLW-CABCVRRESA-N 0 3 369.462 2.516 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(C[NH+](C)C)CCCC2)cc1C ZINC000546779568 517854692 /nfs/dbraw/zinc/85/46/92/517854692.db2.gz CCUIVGHYJQOKIQ-UHFFFAOYSA-N 0 3 369.487 2.612 20 5 FFBDHN COCC1(C)CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000539099305 517911590 /nfs/dbraw/zinc/91/15/90/517911590.db2.gz YLJLBYGDSPIHQT-UHFFFAOYSA-N 0 3 363.414 2.641 20 5 FFBDHN CS[C@@H]1CN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C[C@@H]1N(C)C ZINC000534827656 518047440 /nfs/dbraw/zinc/04/74/40/518047440.db2.gz GEEJJVZARFTBFM-BYCMXARLSA-N 0 3 369.512 2.579 20 5 FFBDHN CN(CCCN1C(=O)c2ccccc2C1=O)CCc1cccc([N+](=O)[O-])c1 ZINC000517330521 518120378 /nfs/dbraw/zinc/12/03/78/518120378.db2.gz MFGZODTXTPJROC-UHFFFAOYSA-N 0 3 367.405 2.755 20 5 FFBDHN CN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000531062788 518122707 /nfs/dbraw/zinc/12/27/07/518122707.db2.gz IBDLHLXCWCBLCY-MRXNPFEDSA-N 0 3 356.426 2.670 20 5 FFBDHN C[C@@H]1C[C@@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])c2ccccc2O1 ZINC000563805354 518133088 /nfs/dbraw/zinc/13/30/88/518133088.db2.gz FEJXJRORJIIJCJ-IIAWOOMASA-N 0 3 358.394 2.836 20 5 FFBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000517411319 518142139 /nfs/dbraw/zinc/14/21/39/518142139.db2.gz ZXCLYMFWDQWRAX-GJZGRUSLSA-N 0 3 363.462 2.569 20 5 FFBDHN COc1cc(CNCCN2CC[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000539813153 518166459 /nfs/dbraw/zinc/16/64/59/518166459.db2.gz DKXGSDDIPBSIHL-GFCCVEGCSA-N 0 3 373.400 2.679 20 5 FFBDHN CN(C)CCOC1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000539832282 518169779 /nfs/dbraw/zinc/16/97/79/518169779.db2.gz NZGDQCAVUCUQKS-UHFFFAOYSA-N 0 3 373.400 2.739 20 5 FFBDHN C[C@@H]1CCCC[C@H]1OCCNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000572558152 518246504 /nfs/dbraw/zinc/24/65/04/518246504.db2.gz UEMSMAFADJRGEH-HLLBOEOZSA-N 0 3 352.431 2.519 20 5 FFBDHN CCO[C@@H]1C[C@H](NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C12CCCC2 ZINC000581396718 518264104 /nfs/dbraw/zinc/26/41/04/518264104.db2.gz QRMADWKUKNEAJT-ZWKOTPCHSA-N 0 3 373.453 2.811 20 5 FFBDHN CCO[C@H]1C[C@@H](NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C12CCCC2 ZINC000581396715 518264137 /nfs/dbraw/zinc/26/41/37/518264137.db2.gz QRMADWKUKNEAJT-MSOLQXFVSA-N 0 3 373.453 2.811 20 5 FFBDHN C[C@H]1[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000564003674 518265630 /nfs/dbraw/zinc/26/56/30/518265630.db2.gz UFEAVOLNFZVPMV-RDJZCZTQSA-N 0 3 369.421 2.753 20 5 FFBDHN CN(C)CCN(Cc1ccccn1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000566924559 518267159 /nfs/dbraw/zinc/26/71/59/518267159.db2.gz WNIOSUCAJKRLBN-UHFFFAOYSA-N 0 3 350.369 2.832 20 5 FFBDHN CCCN(CC)C[C@H](C)NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000575910315 518340362 /nfs/dbraw/zinc/34/03/62/518340362.db2.gz QTOCFGDPKKUOJC-ZDUSSCGKSA-N 0 3 357.476 2.610 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000584690316 518430292 /nfs/dbraw/zinc/43/02/92/518430292.db2.gz FYDKUQNCDQBKED-INIZCTEOSA-N 0 3 352.460 2.716 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCc3ccccc3[C@H]2CN)c1 ZINC000579246908 518590729 /nfs/dbraw/zinc/59/07/29/518590729.db2.gz MRRSQYOKRFRHAL-GOSISDBHSA-N 0 3 355.394 2.692 20 5 FFBDHN COc1ccc(CNC[C@H](O)COc2cccc3[nH]ccc32)cc1[N+](=O)[O-] ZINC000567661754 518638528 /nfs/dbraw/zinc/63/85/28/518638528.db2.gz DBKYYPHBALNKMD-AWEZNQCLSA-N 0 3 371.393 2.614 20 5 FFBDHN COc1ccc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000567725909 518678705 /nfs/dbraw/zinc/67/87/05/518678705.db2.gz OHJUXLUGJAFBDO-UHFFFAOYSA-N 0 3 359.382 2.730 20 5 FFBDHN C[C@H](CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000570591086 518682331 /nfs/dbraw/zinc/68/23/31/518682331.db2.gz DQVRRWMYTQQORM-HZPDHXFCSA-N 0 3 362.474 2.899 20 5 FFBDHN C[C@@H](CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000588159363 518738440 /nfs/dbraw/zinc/73/84/40/518738440.db2.gz QNRUANDCJXPYPV-INIZCTEOSA-N 0 3 362.474 2.899 20 5 FFBDHN CN(C)C[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(Cl)cc1 ZINC000565087807 518780738 /nfs/dbraw/zinc/78/07/38/518780738.db2.gz DTWJZVQCSZQNDM-LBPRGKRZSA-N 0 3 350.806 2.652 20 5 FFBDHN Cc1c(Cl)cccc1N1CCCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000574025643 518951207 /nfs/dbraw/zinc/95/12/07/518951207.db2.gz MYCQSAWAPMSVMV-UHFFFAOYSA-N 0 3 363.849 2.965 20 5 FFBDHN CC(=O)N1CC[C@H](CN(C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000582859445 518958107 /nfs/dbraw/zinc/95/81/07/518958107.db2.gz LPHKWEDSXWVGKW-GFCCVEGCSA-N 0 3 359.348 2.914 20 5 FFBDHN CSC1(CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CCN(C)CC1 ZINC000589476625 519013254 /nfs/dbraw/zinc/01/32/54/519013254.db2.gz IMQOACFYLAVAHU-LBPRGKRZSA-N 0 3 369.462 2.781 20 5 FFBDHN COC(=O)[C@@H]1CCO[C@H]1C1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000590049297 519136392 /nfs/dbraw/zinc/13/63/92/519136392.db2.gz BSPGCOYBXNANFI-VSNBLRCJSA-N 0 3 374.437 2.898 20 5 FFBDHN COc1ccc(-c2ccc(CN3CC[C@@H]4CN(C)C[C@H]43)o2)c([N+](=O)[O-])c1 ZINC000590052742 519138479 /nfs/dbraw/zinc/13/84/79/519138479.db2.gz KENXLDSQUBEHBK-FZKQIMNGSA-N 0 3 357.410 2.999 20 5 FFBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000568663994 519154534 /nfs/dbraw/zinc/15/45/34/519154534.db2.gz JPVSIIUWPWZNPC-YLJYHZDGSA-N 0 3 367.449 2.591 20 5 FFBDHN CCSc1cc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])ccn1 ZINC000583377332 519216864 /nfs/dbraw/zinc/21/68/64/519216864.db2.gz PJZXBJHPZQJLTC-CQSZACIVSA-N 0 3 363.439 2.631 20 5 FFBDHN COc1cccc2c1CC[C@@H]2NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566115802 519311430 /nfs/dbraw/zinc/31/14/30/519311430.db2.gz SITWLDYSXKJYKD-BBRMVZONSA-N 0 3 358.394 2.620 20 5 FFBDHN CC(C)Oc1ccc([C@@H](CNc2ncc([N+](=O)[O-])s2)N(C)C)cc1 ZINC000574884231 519384215 /nfs/dbraw/zinc/38/42/15/519384215.db2.gz HRJROJSVJLHDHZ-CQSZACIVSA-N 0 3 350.444 2.975 20 5 FFBDHN CCc1ccc(S(=O)(=O)N(C)CC[C@H]2CCCCN2C)cc1[N+](=O)[O-] ZINC000580891102 519411911 /nfs/dbraw/zinc/41/19/11/519411911.db2.gz RVRHIITUFWVOPS-OAHLLOKOSA-N 0 3 369.487 2.652 20 5 FFBDHN CCN(C[C@H]1CCCN1CC)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000569374934 519519502 /nfs/dbraw/zinc/51/95/02/519519502.db2.gz YXGKZZYTEVOMOA-MRXNPFEDSA-N 0 3 358.442 2.951 20 5 FFBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H]1CN(c2ccccc2)CCO1 ZINC000584061113 519571306 /nfs/dbraw/zinc/57/13/06/519571306.db2.gz AXZVEDLVPAYKKR-LJQANCHMSA-N 0 3 355.438 2.975 20 5 FFBDHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)Nc1cnc2c(c1)CNCC2 ZINC000591310673 519586031 /nfs/dbraw/zinc/58/60/31/519586031.db2.gz ATQJORJCEXMRBR-UHFFFAOYSA-N 0 3 369.425 2.780 20 5 FFBDHN Cc1ccccc1CN1CCCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000591459181 519629211 /nfs/dbraw/zinc/62/92/11/519629211.db2.gz PVSSDUMALAALIF-UHFFFAOYSA-N 0 3 368.437 2.714 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@@H](N2CCN(C)CC2)CC1 ZINC000591533915 519940533 /nfs/dbraw/zinc/94/05/33/519940533.db2.gz SPNYRMUAZAYIJR-CALCHBBNSA-N 0 3 374.485 2.500 20 5 FFBDHN Cc1c(NC(=O)[C@H](C)N[C@H]2CCCN3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000594551509 520023136 /nfs/dbraw/zinc/02/31/36/520023136.db2.gz FLTBQCAUUYHFLJ-ZVZYQTTQSA-N 0 3 360.458 2.837 20 5 FFBDHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@@H]1CCN1C1CCCCC1 ZINC000600228467 520140902 /nfs/dbraw/zinc/14/09/02/520140902.db2.gz AYOSVGPIIUHGBZ-ZDUSSCGKSA-N 0 3 367.396 2.939 20 5 FFBDHN CCN(Cc1ccc(CN(C)C)cc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000609029810 520180220 /nfs/dbraw/zinc/18/02/20/520180220.db2.gz GQTGTDKSORXGEB-UHFFFAOYSA-N 0 3 370.453 2.777 20 5 FFBDHN COCC(=O)N1CCC(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000609222746 520236924 /nfs/dbraw/zinc/23/69/24/520236924.db2.gz GKFAZNIEIYCPHO-UHFFFAOYSA-N 0 3 373.409 2.582 20 5 FFBDHN COc1cc(CNC[C@H](O)[C@@H](C)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000595000867 520251194 /nfs/dbraw/zinc/25/11/94/520251194.db2.gz ODXMOMVTVMLSHC-GUYCJALGSA-N 0 3 360.410 2.866 20 5 FFBDHN CC(C)(C)N1CC[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000597925878 520326348 /nfs/dbraw/zinc/32/63/48/520326348.db2.gz XPVVBJRJTDAJIZ-LLVKDONJSA-N 0 3 370.247 2.960 20 5 FFBDHN CNC(=O)[C@]1(C(F)(F)F)CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000592525606 520440325 /nfs/dbraw/zinc/44/03/25/520440325.db2.gz AUBDQKHSCBLPBM-LJEUOOAZSA-N 0 3 371.359 2.999 20 5 FFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C[C@@H]1C ZINC000610135389 520554061 /nfs/dbraw/zinc/55/40/61/520554061.db2.gz RADXFTVMNWARDZ-DZGCQCFKSA-N 0 3 369.487 2.705 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000610208561 520580635 /nfs/dbraw/zinc/58/06/35/520580635.db2.gz DQOOPSABZHCSHF-DGCLKSJQSA-N 0 3 355.822 2.616 20 5 FFBDHN C[C@@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CCN(C2CCC2)C1 ZINC000601167845 520670268 /nfs/dbraw/zinc/67/02/68/520670268.db2.gz GPPQLOCTCSSQOV-JTQLQIEISA-N 0 3 361.368 2.658 20 5 FFBDHN CC(C)(C)OC(=O)CCC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000595718089 520670868 /nfs/dbraw/zinc/67/08/68/520670868.db2.gz MVNGTWGMLJZQQD-UHFFFAOYSA-N 0 3 352.435 2.625 20 5 FFBDHN COC(=O)c1ccnc(NCC(C)(C)N2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000598591714 520732555 /nfs/dbraw/zinc/73/25/55/520732555.db2.gz AJHQYLBQJIMHGE-GFCCVEGCSA-N 0 3 350.419 2.699 20 5 FFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000601355135 520751880 /nfs/dbraw/zinc/75/18/80/520751880.db2.gz KNLQFJJKOPTKFR-QWHCGFSZSA-N 0 3 373.450 2.536 20 5 FFBDHN Cc1cc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000598829583 520864462 /nfs/dbraw/zinc/86/44/62/520864462.db2.gz ZKWHYDPFLJXOIT-NEPJUHHUSA-N 0 3 362.304 2.826 20 5 FFBDHN COc1cccc(C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)c1[N+](=O)[O-] ZINC000618110469 520886631 /nfs/dbraw/zinc/88/66/31/520886631.db2.gz KLMKKTSGAVHLQC-CYBMUJFWSA-N 0 3 371.393 2.573 20 5 FFBDHN CCN1CCN([C@@H](C)CNc2cc(OC)c([N+](=O)[O-])cc2Cl)CC1 ZINC000596078823 520899136 /nfs/dbraw/zinc/89/91/36/520899136.db2.gz UMUCAAQFANDFQE-LBPRGKRZSA-N 0 3 356.854 2.695 20 5 FFBDHN C[C@H](c1ccccc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596088647 520906745 /nfs/dbraw/zinc/90/67/45/520906745.db2.gz MUMLGSQUTRKNOV-CZUORRHYSA-N 0 3 354.410 2.941 20 5 FFBDHN COC(=O)c1c(Cl)c(N(C)[C@@H]2CCN(C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000596137766 520935139 /nfs/dbraw/zinc/93/51/39/520935139.db2.gz WIOKWAQVWVFWCU-GHMZBOCLSA-N 0 3 355.822 2.954 20 5 FFBDHN Cc1cc(N2CCC(C)(CN3CCN(C)CC3)CC2)c([N+](=O)[O-])s1 ZINC000596198141 520965854 /nfs/dbraw/zinc/96/58/54/520965854.db2.gz IEQWKBHGPNXVKA-UHFFFAOYSA-N 0 3 352.504 2.819 20 5 FFBDHN CCN1CCN(C[C@@H](C)CNc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599025094 520987274 /nfs/dbraw/zinc/98/72/74/520987274.db2.gz ZOJVUKFJLORPPG-HNNXBMFYSA-N 0 3 357.458 2.829 20 5 FFBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NC[C@H](n2cccn2)C(F)(F)F)n1 ZINC000599055565 521004242 /nfs/dbraw/zinc/00/42/42/521004242.db2.gz HVLPGVYBPRXWGI-XQQFMLRXSA-N 0 3 372.351 2.865 20 5 FFBDHN COc1cnccc1N1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593469690 521014445 /nfs/dbraw/zinc/01/44/45/521014445.db2.gz PTSAOQCHONIMBE-UHFFFAOYSA-N 0 3 365.393 2.873 20 5 FFBDHN Cc1cnc(N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000593495820 521032148 /nfs/dbraw/zinc/03/21/48/521032148.db2.gz JWBDBRXAJQZSQV-RBUKOAKNSA-N 0 3 368.437 2.778 20 5 FFBDHN O=[N+]([O-])c1ccc2ncnc(N3CCN(CCc4cccs4)CC3)c2c1 ZINC000611710833 521292465 /nfs/dbraw/zinc/29/24/65/521292465.db2.gz YUGDZRMBWUIDBN-UHFFFAOYSA-N 0 3 369.450 2.964 20 5 FFBDHN CCOCCN(CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCc2ccccc21 ZINC000599624387 521341035 /nfs/dbraw/zinc/34/10/35/521341035.db2.gz DJLZDMJXDPWWMT-IBGZPJMESA-N 0 3 371.437 2.783 20 5 FFBDHN CCC(C)(C)N1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000594020300 521355144 /nfs/dbraw/zinc/35/51/44/521355144.db2.gz GWFHOLZTQQTVAI-UHFFFAOYSA-N 0 3 359.430 2.951 20 5 FFBDHN O=C1CCCN1CCCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602505306 521383494 /nfs/dbraw/zinc/38/34/94/521383494.db2.gz XCELOHHWHQBTQP-UHFFFAOYSA-N 0 3 362.249 2.521 20 5 FFBDHN NC(=O)C1(CNCc2cc(Br)c([N+](=O)[O-])s2)CCCC1 ZINC000602595578 521429220 /nfs/dbraw/zinc/42/92/20/521429220.db2.gz ZHBSXRSLJRPJQE-UHFFFAOYSA-N 0 3 362.249 2.554 20 5 FFBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000594197197 521462823 /nfs/dbraw/zinc/46/28/23/521462823.db2.gz AXHSBNSJFXCAKB-IAGOWNOFSA-N 0 3 372.469 2.942 20 5 FFBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000594197201 521463182 /nfs/dbraw/zinc/46/31/82/521463182.db2.gz AXHSBNSJFXCAKB-SJORKVTESA-N 0 3 372.469 2.942 20 5 FFBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000594200365 521466936 /nfs/dbraw/zinc/46/69/36/521466936.db2.gz LADIVLITZKLPOF-AEFFLSMTSA-N 0 3 369.425 2.527 20 5 FFBDHN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N[C@H]1CCN(CC2CC2)C1 ZINC000599830644 521499934 /nfs/dbraw/zinc/49/99/34/521499934.db2.gz WDVWCRSWKHRAPH-ZDUSSCGKSA-N 0 3 355.398 2.749 20 5 FFBDHN C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)C1=CCN(C)CC1 ZINC000599832638 521500978 /nfs/dbraw/zinc/50/09/78/521500978.db2.gz GYBWFFLOKSAAQI-GFCCVEGCSA-N 0 3 355.398 2.915 20 5 FFBDHN O=C1CC[C@H]2CN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC[C@@H]2N1 ZINC000597204845 521572457 /nfs/dbraw/zinc/57/24/57/521572457.db2.gz GGAOTVBBYQQQIC-YOEHRIQHSA-N 0 3 355.394 2.955 20 5 FFBDHN O=C1CC[C@@H]2CN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC[C@H]2N1 ZINC000597207816 521575018 /nfs/dbraw/zinc/57/50/18/521575018.db2.gz VTRRKYDXDPBJHP-RHSMWYFYSA-N 0 3 355.394 2.955 20 5 FFBDHN CC(C)N1CCCC[C@@H]1CN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000619864429 521908857 /nfs/dbraw/zinc/90/88/57/521908857.db2.gz OZJKWYBURAEOJN-VQIMIIECSA-N 0 3 374.441 2.625 20 5 FFBDHN C[NH+](C)CCc1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000736772117 598502005 /nfs/dbraw/zinc/50/20/05/598502005.db2.gz XENKZDZYSYSSBC-UHFFFAOYSA-N 0 3 353.386 2.623 20 5 FFBDHN C[NH+](C)CCc1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000736772117 598502006 /nfs/dbraw/zinc/50/20/06/598502006.db2.gz XENKZDZYSYSSBC-UHFFFAOYSA-N 0 3 353.386 2.623 20 5 FFBDHN C[C@@H]([NH2+]CCOc1ccccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000824600198 608470253 /nfs/dbraw/zinc/47/02/53/608470253.db2.gz XSYSDDMNWGBVKN-GFCCVEGCSA-N 0 3 354.370 2.505 20 5 FFBDHN C[C@@H]([NH2+]CCOc1ccccc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000824600198 608470254 /nfs/dbraw/zinc/47/02/54/608470254.db2.gz XSYSDDMNWGBVKN-GFCCVEGCSA-N 0 3 354.370 2.505 20 5 FFBDHN CN(C)CCN(Cc1ccccn1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000109725483 728528674 /nfs/dbraw/zinc/52/86/74/728528674.db2.gz ZGOOTKLPMPZWNA-UHFFFAOYSA-N 0 3 362.817 2.847 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1CC2(CO1)CCOCC2 ZINC000866533656 731071720 /nfs/dbraw/zinc/07/17/20/731071720.db2.gz SZGVRDUMSKWBTI-ZFWWWQNUSA-N 0 3 350.415 2.840 20 5 FFBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1COC2(CCOCC2)O1 ZINC000872058523 731724741 /nfs/dbraw/zinc/72/47/41/731724741.db2.gz VMKDCBJPEABOPW-GXTWGEPZSA-N 0 3 368.455 2.889 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N2CCCCC2)cc1SC ZINC000728517669 734530294 /nfs/dbraw/zinc/53/02/94/734530294.db2.gz UIMFEQGLECQBPO-GFCCVEGCSA-N 0 3 367.471 2.930 20 5 FFBDHN C[C@H]1CCCN1CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000783920093 738849074 /nfs/dbraw/zinc/84/90/74/738849074.db2.gz ZBRLDRPWGNUMKK-JTQLQIEISA-N 0 3 356.220 2.571 20 5 FFBDHN COC[C@H]1C[C@@H](NCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000895623771 735033557 /nfs/dbraw/zinc/03/35/57/735033557.db2.gz WFHHEKCSKZPUPW-KLPPZKSPSA-N 0 3 360.357 2.762 20 5 FFBDHN C[C@@H](CNCc1cn(C)nc1Br)c1ccccc1[N+](=O)[O-] ZINC000897460185 735237083 /nfs/dbraw/zinc/23/70/83/735237083.db2.gz FOMCAZXXVUTYMC-JTQLQIEISA-N 0 3 353.220 2.984 20 5 FFBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H]2COc2ccc(Cl)cc2)n1 ZINC000747958919 735605173 /nfs/dbraw/zinc/60/51/73/735605173.db2.gz GESRBHBGKZEXEL-AWEZNQCLSA-N 0 3 350.806 2.988 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](C(F)(F)F)C1 ZINC000761044897 736690032 /nfs/dbraw/zinc/69/00/32/736690032.db2.gz IZYLGWCUOBABNL-JTQLQIEISA-N 0 3 361.320 2.816 20 5 FFBDHN CCN1C[C@H](C)N(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000766253169 737212608 /nfs/dbraw/zinc/21/26/08/737212608.db2.gz JATYXDAGLZYRPN-RYUDHWBXSA-N 0 3 354.838 2.601 20 5 FFBDHN O=[N+]([O-])c1ccc(Cl)cc1CN[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000769802954 737568320 /nfs/dbraw/zinc/56/83/20/737568320.db2.gz XJANLXFJBJVWNM-NVXWUHKLSA-N 0 3 353.850 2.981 20 5 FFBDHN C[C@@H](NS(=O)(=O)c1ccc(CN(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000921365444 737970261 /nfs/dbraw/zinc/97/02/61/737970261.db2.gz MKZCZWZALDEPNV-CYBMUJFWSA-N 0 3 363.439 2.696 20 5 FFBDHN C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788603589 739262941 /nfs/dbraw/zinc/26/29/41/739262941.db2.gz FHTOPLAKJRJLDK-WCQYABFASA-N 0 3 350.419 2.837 20 5 FFBDHN COC(=O)[C@H]1CCCC[C@]1(C)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792873673 739714216 /nfs/dbraw/zinc/71/42/16/739714216.db2.gz UOABRKGPDCMAJU-CJNGLKHVSA-N 0 3 351.359 2.715 20 5 FFBDHN COc1cnccc1N1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000793370763 739774816 /nfs/dbraw/zinc/77/48/16/739774816.db2.gz RFMFLBTUVAVLPZ-UHFFFAOYSA-N 0 3 362.817 2.974 20 5 FFBDHN COc1cnccc1N1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000795287029 739997041 /nfs/dbraw/zinc/99/70/41/739997041.db2.gz IKZANQGNYNZNPP-UHFFFAOYSA-N 0 3 350.325 2.603 20 5 FFBDHN C[C@H]1CN(CCCCNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000804539984 740881992 /nfs/dbraw/zinc/88/19/92/740881992.db2.gz RGBXTUUJPKFCJM-STQMWFEESA-N 0 3 352.391 2.804 20 5 FFBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCN(C/C=C/c2ccc(Cl)cc2)CC1 ZINC000981136905 741137267 /nfs/dbraw/zinc/13/72/67/741137267.db2.gz LIKWDOAHYGCRCF-GPOOKRAHSA-N 0 3 363.845 2.553 20 5 FFBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c2cnn(Cc3cccs3)c2n1 ZINC000813102313 741677093 /nfs/dbraw/zinc/67/70/93/741677093.db2.gz DSQJYKCZWFDXME-LLVKDONJSA-N 0 3 360.395 2.672 20 5 FFBDHN Cc1nc(COc2ccc(F)cc2)sc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813106565 741677309 /nfs/dbraw/zinc/67/73/09/741677309.db2.gz DSMWBSCAMCGWGJ-SECBINFHSA-N 0 3 354.359 2.992 20 5 FFBDHN CC(COC(=O)CCNc1ncc(C(F)(F)F)cc1Cl)[N+](=O)[O-] ZINC000813103560 741677467 /nfs/dbraw/zinc/67/74/67/741677467.db2.gz QLRYOHKHINJQBW-SSDOTTSWSA-N 0 3 355.700 2.764 20 5 FFBDHN CC(COC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N+](=O)[O-] ZINC000813110018 741678007 /nfs/dbraw/zinc/67/80/07/741678007.db2.gz YUKYPRHNQKFQNP-MRVPVSSYSA-N 0 3 365.264 2.624 20 5 FFBDHN CC(COC(=O)[C@@H](C)Oc1ccc(F)cc1Br)[N+](=O)[O-] ZINC000813111514 741678428 /nfs/dbraw/zinc/67/84/28/741678428.db2.gz UHBZIEBUNOKKSD-HTQZYQBOSA-N 0 3 350.140 2.564 20 5 FFBDHN Cc1cc([C@@H](N)CC(=O)NCc2cccc([N+](=O)[O-])c2C)cc(Cl)n1 ZINC000831993445 745615919 /nfs/dbraw/zinc/61/59/19/745615919.db2.gz RXUKLZCDRRFCEU-AWEZNQCLSA-N 0 3 362.817 2.966 20 5 FFBDHN CO[C@](C)([C@H](C)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000839637520 746877522 /nfs/dbraw/zinc/87/75/22/746877522.db2.gz FARQLZSTBODJHF-MGPLVRAMSA-N 0 3 355.822 2.980 20 5 FFBDHN CC[C@@H](C(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)N(C)C ZINC000840526936 747116558 /nfs/dbraw/zinc/11/65/58/747116558.db2.gz KTLZDUGXPSGYSM-CABZTGNLSA-N 0 3 351.300 2.794 20 5 FFBDHN CC(COC(=O)c1nn(-c2ccc(Cl)cc2F)c2c1CCC2)[N+](=O)[O-] ZINC000842802276 747692758 /nfs/dbraw/zinc/69/27/58/747692758.db2.gz UMHIOHZYAVVQPC-VIFPVBQESA-N 0 3 367.764 2.976 20 5 FFBDHN COC(=O)[C@@H]1CC[C@H](C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])C1 ZINC000845875361 748341562 /nfs/dbraw/zinc/34/15/62/748341562.db2.gz BLVLAVCWEOLUBP-OZTPJHRESA-N 0 3 353.346 2.665 20 5 FFBDHN CC([C@H](OC(=O)CCCCc1c[nH]nn1)c1ccccc1F)[N+](=O)[O-] ZINC000845883532 748344507 /nfs/dbraw/zinc/34/45/07/748344507.db2.gz UMPBVOVKKPAETI-ZBEGNZNMSA-N 0 3 350.350 2.606 20 5 FFBDHN CC([C@H](OC(=O)c1ccnn1CC(F)F)c1ccccc1F)[N+](=O)[O-] ZINC000845883499 748344747 /nfs/dbraw/zinc/34/47/47/748344747.db2.gz UCVMHQZMGZPQLO-OTYXRUKQSA-N 0 3 357.288 2.851 20 5 FFBDHN COCCN1CCC(OC(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 ZINC000847880969 748802655 /nfs/dbraw/zinc/80/26/55/748802655.db2.gz DXPWTBXIMPNBML-UHFFFAOYSA-N 0 3 354.428 2.584 20 5 FFBDHN Cn1nnc2c1CC[C@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C2 ZINC000848926076 749035965 /nfs/dbraw/zinc/03/59/65/749035965.db2.gz KUTPMRZXTPDCCZ-JTQLQIEISA-N 0 3 356.213 2.677 20 5 FFBDHN O=[N+]([O-])c1ccc(CN2CCC[C@H](N3CCOCC3)CC2)cc1Cl ZINC000848929858 749037486 /nfs/dbraw/zinc/03/74/86/749037486.db2.gz KKHKDVACUMRDQK-HNNXBMFYSA-N 0 3 353.850 2.935 20 5 FFBDHN C[C@@H](CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[NH+](C)C ZINC000849429232 749150019 /nfs/dbraw/zinc/15/00/19/749150019.db2.gz LNTLMKWRIPLVKP-QMMMGPOBSA-N 0 3 370.258 2.520 20 5 FFBDHN COc1ccc([C@H](NC(C)C)C(=O)NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000895940318 971100133 /nfs/dbraw/zinc/10/01/33/971100133.db2.gz LKLQJAFBHUFTTM-SFHVURJKSA-N 0 3 357.410 2.959 20 5 FFBDHN COc1cccc([C@H]2CN(CCOc3cccc([N+](=O)[O-])c3)CCN2)c1 ZINC001175578107 1013514495 /nfs/dbraw/zinc/51/44/95/1013514495.db2.gz MQCSOLWMNXIFPC-LJQANCHMSA-N 0 3 357.410 2.629 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)n1 ZINC001267590853 969689674 /nfs/dbraw/zinc/68/96/74/969689674.db2.gz LGSSUGDVDBNSHU-FZKQIMNGSA-N 0 3 354.410 2.549 20 5 FFBDHN Cc1ncccc1OC[C@@H]1CCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000842173535 976709686 /nfs/dbraw/zinc/70/96/86/976709686.db2.gz RHNAKTPPVQLFDX-ZWKOTPCHSA-N 0 3 357.410 2.875 20 5 FFBDHN CN(C)Cc1ccc(NC(=O)c2c([N+](=O)[O-])cnn2C)cc1C(F)(F)F ZINC000899672265 977291187 /nfs/dbraw/zinc/29/11/87/977291187.db2.gz XJKADAHGLXVNNO-UHFFFAOYSA-N 0 3 371.319 2.661 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](N(C)C)Cc2ccccc21 ZINC000067208770 977964874 /nfs/dbraw/zinc/96/48/74/977964874.db2.gz XCTLSTLOQPIVAU-HNNXBMFYSA-N 0 3 355.394 2.737 20 5 FFBDHN CN(C[C@H]1CC=CCC1)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000784014740 980491378 /nfs/dbraw/zinc/49/13/78/980491378.db2.gz NSZWZVNQDJVIBY-AWEZNQCLSA-N 0 3 358.398 2.609 20 5 FFBDHN Cn1cc(CN2CCC(C(C)(C)O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000877754212 1014714010 /nfs/dbraw/zinc/71/40/10/1014714010.db2.gz XEPHBRBSNVHRFQ-UHFFFAOYSA-N 0 3 358.442 2.978 20 5 FFBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CN3CCC[C@H]3CO2)nc1-c1ccccc1 ZINC000761210203 984905194 /nfs/dbraw/zinc/90/51/94/984905194.db2.gz ILOGBWQOGRVBOV-JKSUJKDBSA-N 0 3 354.410 2.932 20 5 FFBDHN C/C(=C\C(=O)N1CCN(C2CCOCC2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000785437974 985320828 /nfs/dbraw/zinc/32/08/28/985320828.db2.gz ACWOCUIEIIFOKC-QJPKHSJYSA-N 0 3 373.453 2.710 20 5 FFBDHN COc1cc(CN[C@@H](CO)CCc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000922545307 988689384 /nfs/dbraw/zinc/68/93/84/988689384.db2.gz KUHPTXUIBRMONB-MRXNPFEDSA-N 0 3 360.410 2.695 20 5 FFBDHN COc1ccc(-c2ccc(CNCCO[C@@H]3CCOC3)o2)c([N+](=O)[O-])c1 ZINC000922939598 990750282 /nfs/dbraw/zinc/75/02/82/990750282.db2.gz RCJDOBMHYYHJIR-OAHLLOKOSA-N 0 3 362.382 2.759 20 5 FFBDHN CC(COC(=O)c1ccccc1OCc1cn2ccccc2n1)[N+](=O)[O-] ZINC000813108323 995624068 /nfs/dbraw/zinc/62/40/68/995624068.db2.gz DGOWHHHYILCMOC-CYBMUJFWSA-N 0 3 355.350 2.735 20 5 FFBDHN O=C(O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)C1CCN(C2CC2)CC1 ZINC000813173126 995633341 /nfs/dbraw/zinc/63/33/41/995633341.db2.gz WTYHBWMAXKGOSI-IBGZPJMESA-N 0 3 373.453 2.587 20 5 FFBDHN C[C@H]1CCC[C@H](C)N1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000731212812 997742314 /nfs/dbraw/zinc/74/23/14/997742314.db2.gz GBVBDSCDOSNTQE-HOTGVXAUSA-N 0 3 360.458 2.506 20 5 FFBDHN COc1ccc(C2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)nc1 ZINC000844350897 997820640 /nfs/dbraw/zinc/82/06/40/997820640.db2.gz LQKIDZWQCKOKBY-IBGZPJMESA-N 0 3 357.410 2.911 20 5 FFBDHN CCC(C)(C)N1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC001144205178 998150844 /nfs/dbraw/zinc/15/08/44/998150844.db2.gz JYXWYFUSBHBEMC-UHFFFAOYSA-N 0 3 358.442 2.882 20 5 FFBDHN CC([C@H](OC(=O)c1cc(OC(F)F)n(C)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845872886 998676935 /nfs/dbraw/zinc/67/69/35/998676935.db2.gz AMAOSASMUBCVKG-OQPBUACISA-N 0 3 373.287 2.724 20 5 FFBDHN CC([C@H](OC(=O)c1ccc(N2CCCC2)nn1)c1ccccc1F)[N+](=O)[O-] ZINC000845878884 998677710 /nfs/dbraw/zinc/67/77/10/998677710.db2.gz WLOISGXPFHQKRP-SJCJKPOMSA-N 0 3 374.372 2.779 20 5 FFBDHN Cc1c(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])nn2c1OCCC2 ZINC000845882678 998678738 /nfs/dbraw/zinc/67/87/38/998678738.db2.gz PMYSPVAEZFLNAG-XHDPSFHLSA-N 0 3 363.345 2.676 20 5 FFBDHN C[C@H](NCc1ccc([N+](=O)[O-])cc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000741255617 999716908 /nfs/dbraw/zinc/71/69/08/999716908.db2.gz HOUHEVLPMAGQGA-OXJNMPFZSA-N 0 3 355.438 2.974 20 5 FFBDHN C[C@H](NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000741255615 999717000 /nfs/dbraw/zinc/71/70/00/999717000.db2.gz HOUHEVLPMAGQGA-JXFKEZNVSA-N 0 3 355.438 2.974 20 5 FFBDHN CN(CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745943341 999938237 /nfs/dbraw/zinc/93/82/37/999938237.db2.gz BKAQEOJSPKZDSW-HNNXBMFYSA-N 0 3 365.430 2.915 20 5 FFBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)N1CCC(C)CC1 ZINC000791214215 1002621932 /nfs/dbraw/zinc/62/19/32/1002621932.db2.gz BKQNUKKKURZPLL-CYBMUJFWSA-N 0 3 366.437 2.650 20 5 FFBDHN COc1ccc(OC(=O)C2CCN(c3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000792122882 1002929870 /nfs/dbraw/zinc/92/98/70/1002929870.db2.gz CGUFPPOQOZYZTL-CQSZACIVSA-N 0 3 374.324 2.701 20 5 FFBDHN COc1ccc(C[C@H](C)NCC(=O)N(C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001170297702 1003092120 /nfs/dbraw/zinc/09/21/20/1003092120.db2.gz QTDRACVGAZATAH-HNNXBMFYSA-N 0 3 371.437 2.783 20 5 FFBDHN COc1ccc(C[C@H](C)NCc2ccc(OC)c(OC)n2)c([N+](=O)[O-])c1 ZINC001170322923 1003111975 /nfs/dbraw/zinc/11/19/75/1003111975.db2.gz IQBZNACVKPJDOW-LBPRGKRZSA-N 0 3 361.398 2.736 20 5 FFBDHN CCOC(=O)c1ccnc(CN[C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001170307556 1003120182 /nfs/dbraw/zinc/12/01/82/1003120182.db2.gz HLQGWRQTXIDKJN-CYBMUJFWSA-N 0 3 373.409 2.896 20 5 FFBDHN CCCN(CCN1CCCCC1)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000804567116 1003729203 /nfs/dbraw/zinc/72/92/03/1003729203.db2.gz LCIVGPKBXLIUNG-UHFFFAOYSA-N 0 3 367.421 2.837 20 5 FFBDHN CC(=O)c1ccc([N+](=O)[O-])cc1NCc1ccccc1CN1CC[C@H](O)C1 ZINC000808014205 1004738536 /nfs/dbraw/zinc/73/85/36/1004738536.db2.gz GIOHPHQYWUMUPY-SFHVURJKSA-N 0 3 369.421 2.976 20 5 FFBDHN CN(Cc1ccc(C(=O)NC2CC2)cc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776278938 1005345350 /nfs/dbraw/zinc/34/53/50/1005345350.db2.gz VFSVQELXXUFVSB-LJQANCHMSA-N 0 3 369.421 2.652 20 5 FFBDHN Cc1cc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000813828103 1006046847 /nfs/dbraw/zinc/04/68/47/1006046847.db2.gz ZOUUWSJRDVILMR-YOEHRIQHSA-N 0 3 368.437 2.878 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@H](c2ccncc2)C2(CO)CCC2)cc1 ZINC000853134553 1006309323 /nfs/dbraw/zinc/30/93/23/1006309323.db2.gz WIXHOVYSQVSQSQ-ZWKOTPCHSA-N 0 3 357.410 2.517 20 5 FFBDHN O=C(NCC1CCN(Cc2ccncc2)CC1)c1cc([N+](=O)[O-])ccc1F ZINC000855528834 1007399534 /nfs/dbraw/zinc/39/95/34/1007399534.db2.gz ILVPDHQITJEMER-UHFFFAOYSA-N 0 3 372.400 2.771 20 5 FFBDHN C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000817288914 1007509295 /nfs/dbraw/zinc/50/92/95/1007509295.db2.gz OWMMJTVIQKUWMJ-UNEWFSDZSA-N 0 3 364.442 2.928 20 5 FFBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCc2ccnc(N3CCCCC3)c2)c1 ZINC000818963834 1007979932 /nfs/dbraw/zinc/97/99/32/1007979932.db2.gz BSDXFWAFHWFFOA-SFHVURJKSA-N 0 3 356.426 2.803 20 5 FFBDHN CN(C)C(=O)Nc1cccc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819102550 1008034568 /nfs/dbraw/zinc/03/45/68/1008034568.db2.gz LLHUEXIKDZPZBN-QGZVFWFLSA-N 0 3 358.398 2.512 20 5 FFBDHN Cc1ccc(C2=NO[C@@H](CNC[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000819292664 1008084498 /nfs/dbraw/zinc/08/44/98/1008084498.db2.gz VMUUGWWRGDZSJD-IEBWSBKVSA-N 0 3 355.394 2.719 20 5 FFBDHN Cc1ccc(-c2nc(-c3ccc4c(n3)CCNC4)no2)c([N+](=O)[O-])c1C ZINC001217105577 1032610840 /nfs/dbraw/zinc/61/08/40/1032610840.db2.gz TWIRKYQBVSIDPO-UHFFFAOYSA-N 0 3 351.366 2.969 20 5 FFBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cn(Cc2ccncc2)cn1 ZINC001173220630 1012351660 /nfs/dbraw/zinc/35/16/60/1012351660.db2.gz DMMYNOPNGVALDT-HNNXBMFYSA-N 0 3 351.410 2.955 20 5 FFBDHN O=[N+]([O-])c1ccc2nc(-c3nc(-c4ccc5c(n4)CCNC5)no3)ccc2c1 ZINC001217422743 1032728555 /nfs/dbraw/zinc/72/85/55/1032728555.db2.gz BYSOGBVBMFWKJZ-UHFFFAOYSA-N 0 3 374.360 2.901 20 5 FFBDHN CCN(CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)C1CCCCC1 ZINC000726582968 1020488901 /nfs/dbraw/zinc/48/89/01/1020488901.db2.gz LFZMCRWBGJNOJF-UHFFFAOYSA-N 0 3 360.414 2.976 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H]1c1ccnn1C ZINC000932266318 1020759500 /nfs/dbraw/zinc/75/95/00/1020759500.db2.gz PZCIKFNGGNGNSS-KRWDZBQOSA-N 0 3 357.414 2.802 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000155241451 1022230780 /nfs/dbraw/zinc/23/07/80/1022230780.db2.gz JQZPADGHZCPBKF-HNNXBMFYSA-N 0 3 368.437 2.914 20 5 FFBDHN C/C(=C\C(=O)N1CCCN(C[C@@H]2CCCO2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000751690049 1022911518 /nfs/dbraw/zinc/91/15/18/1022911518.db2.gz YEDWAWLCUWRYNG-IDCODDLRSA-N 0 3 373.453 2.711 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)CN1Cc1ccccc1 ZINC000188328644 1023056574 /nfs/dbraw/zinc/05/65/74/1023056574.db2.gz AJKOXLSZBHKRKE-UKRRQHHQSA-N 0 3 354.410 2.570 20 5 FFBDHN COc1cc(O[C@@H]2CC[NH2+]C[C@H]2C)c2c(c1)oc1c([O-])ccc(O)c1c2=O ZINC001218419088 1033148250 /nfs/dbraw/zinc/14/82/50/1033148250.db2.gz KHXXPAHRMVVQCI-QMTHXVAHSA-N 0 3 371.389 2.743 20 5 FFBDHN Cn1c(-c2csc([N+](=O)[O-])c2)nnc1N1CCN(C2CCCC2)CC1 ZINC001121263042 1023677183 /nfs/dbraw/zinc/67/71/83/1023677183.db2.gz SGESSYURBNPUML-UHFFFAOYSA-N 0 3 362.459 2.516 20 5 FFBDHN N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N1CCN2CC[C@@H]2C1 ZINC001161423673 1028165035 /nfs/dbraw/zinc/16/50/35/1028165035.db2.gz JDXKGHLVZXSWIQ-GCJKJVERSA-N 0 3 359.473 2.779 20 5 FFBDHN O=[N+]([O-])c1ccc2ccnc(-n3nc(C(F)(F)F)c4c3CCNC4)c2c1 ZINC001154845605 1028480309 /nfs/dbraw/zinc/48/03/09/1028480309.db2.gz DTWDHGKAPVNAHP-UHFFFAOYSA-N 0 3 363.299 2.993 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(-n2nc(C(F)(F)F)c3c2CCNC3)nc1Cl ZINC001154849464 1028482296 /nfs/dbraw/zinc/48/22/96/1028482296.db2.gz MFIPTMFKUXJWCR-UHFFFAOYSA-N 0 3 361.711 2.802 20 5 FFBDHN C[C@H](N)c1nc2ccccc2n1-c1ccc([N+](=O)[O-])c2c1CCN(C)C2 ZINC001162778392 1028654161 /nfs/dbraw/zinc/65/41/61/1028654161.db2.gz KTRZNHFDJDYQLM-LBPRGKRZSA-N 0 3 351.410 2.941 20 5 FFBDHN COCCCN1CCN(c2cc(Cl)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC001165096313 1029384194 /nfs/dbraw/zinc/38/41/94/1029384194.db2.gz GSMFPZRCVIDNCA-UHFFFAOYSA-N 0 3 364.833 2.955 20 5 FFBDHN C[C@@H]1CN(CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)[C@@H]2CCCC[C@@H]21 ZINC000782277748 1029637956 /nfs/dbraw/zinc/63/79/56/1029637956.db2.gz RUVBNDZSKGNWKI-KBRIMQKVSA-N 0 3 372.425 2.831 20 5 FFBDHN O=C(CCN[C@H](CO)c1ccc(F)cc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782532002 1029734176 /nfs/dbraw/zinc/73/41/76/1029734176.db2.gz VDCWBCDZHYDYMU-MRXNPFEDSA-N 0 3 365.336 2.525 20 5 FFBDHN O=[N+]([O-])c1ccccc1NCCc1noc([C@@H]2CNCc3ccccc32)n1 ZINC000843184661 1031227521 /nfs/dbraw/zinc/22/75/21/1031227521.db2.gz GSMSENDVJKLDIE-OAHLLOKOSA-N 0 3 365.393 2.868 20 5 FFBDHN CCOC(=O)C(CC)(CC)CNCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001207033851 1037085686 /nfs/dbraw/zinc/08/56/86/1037085686.db2.gz BBCSRMQZPLNMMW-UHFFFAOYSA-N 0 3 354.403 2.768 20 5 FFBDHN CCOC(=O)C(CC)(CC)C[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC001207033851 1037085695 /nfs/dbraw/zinc/08/56/95/1037085695.db2.gz BBCSRMQZPLNMMW-UHFFFAOYSA-N 0 3 354.403 2.768 20 5 FFBDHN Cc1c(Cc2nc(-c3ccc4c(n3)CCNC4)no2)cccc1[N+](=O)[O-] ZINC001248341248 1040237637 /nfs/dbraw/zinc/23/76/37/1040237637.db2.gz JFGOMILXFMNJJY-UHFFFAOYSA-N 0 3 351.366 2.585 20 5 FFBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1cn(Cc2ccccn2)cn1 ZINC001254544146 1040790628 /nfs/dbraw/zinc/79/06/28/1040790628.db2.gz HUPUUTSIHWGDEU-OAHLLOKOSA-N 0 3 351.410 2.955 20 5 FFBDHN CC(C)(C)OC(=O)N1CC(F)(CN[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254566297 1040801554 /nfs/dbraw/zinc/80/15/54/1040801554.db2.gz JICFXHDACATYRT-AWEZNQCLSA-N 0 3 365.405 2.611 20 5 FFBDHN CCN(CC)C(=O)NC1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254611407 1040839577 /nfs/dbraw/zinc/83/95/77/1040839577.db2.gz QEUYQLGCWKYMBZ-GOSISDBHSA-N 0 3 360.458 2.578 20 5 FFBDHN COc1cccnc1O[C@@H]1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254611009 1040840145 /nfs/dbraw/zinc/84/01/45/1040840145.db2.gz NVCCHTVFNWVVKD-IAGOWNOFSA-N 0 3 355.394 2.619 20 5 FFBDHN Cc1c([N+](=O)[O-])ccc(F)c1-c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001216957176 1042171429 /nfs/dbraw/zinc/17/14/29/1042171429.db2.gz LLVKCDKEGDOUGV-UHFFFAOYSA-N 0 3 355.329 2.800 20 5 FFBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC001313445221 1044364870 /nfs/dbraw/zinc/36/48/70/1044364870.db2.gz RSFOCQLRWHZKBE-RTBURBONSA-N 0 3 363.417 2.566 20 5 FFBDHN CC(C)(C)N1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC001317910097 1045168763 /nfs/dbraw/zinc/16/87/63/1045168763.db2.gz JFNDAESCECJCAC-UHFFFAOYSA-N 0 3 360.458 2.751 20 5 FFBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(n3cc(Cl)cn3)CC2)cc1 ZINC001320195798 1045366355 /nfs/dbraw/zinc/36/63/55/1045366355.db2.gz OMYTUYVPCRCLTL-MRXNPFEDSA-N 0 3 350.806 2.815 20 5 FFBDHN CC1(C)CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC001539537480 1070654749 /nfs/dbraw/zinc/65/47/49/1070654749.db2.gz LVDPHIAXXZQLES-UHFFFAOYSA-N 0 3 370.247 2.819 20 5 FFBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCCN(C)Cc1ccncc1 ZINC001332627213 1048480512 /nfs/dbraw/zinc/48/05/12/1048480512.db2.gz FGHDQGNHJOWWMG-UHFFFAOYSA-N 0 3 371.441 2.626 20 5 FFBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCCN1CCC(CO)CC1 ZINC001330699105 1049280253 /nfs/dbraw/zinc/28/02/53/1049280253.db2.gz ZKVNSISCANXWLU-ZDUSSCGKSA-N 0 3 353.488 2.672 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCN[C@H](c3ccc(O)cc3)C2)c2ncccc12 ZINC001307199323 1049985801 /nfs/dbraw/zinc/98/58/01/1049985801.db2.gz KVIMBRNKOVOSDZ-INIZCTEOSA-N 0 3 350.378 3.000 20 5 FFBDHN O=C(c1cccc([N+](=O)[O-])c1)N1C[C@@H](C[C@@H]2COCCN2)c2ccccc21 ZINC001342875890 1051485291 /nfs/dbraw/zinc/48/52/91/1051485291.db2.gz OXFVDYBTSXVXIW-HZPDHXFCSA-N 0 3 367.405 2.717 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2C[C@@H]2Cc2ccccc2)cc1 ZINC001335396906 1053335287 /nfs/dbraw/zinc/33/52/87/1053335287.db2.gz LAWOKYFTHTZWHB-YJBOKZPZSA-N 0 3 360.435 2.589 20 5 FFBDHN O=C(NC[C@H]1NCCc2ccccc21)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001348563521 1054794532 /nfs/dbraw/zinc/79/45/32/1054794532.db2.gz VQPSICZFUYYZHJ-GOSISDBHSA-N 0 3 352.394 2.507 20 5 FFBDHN Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000847253516 1055320890 /nfs/dbraw/zinc/32/08/90/1055320890.db2.gz GUJLENLJUISXIK-UONOGXRCSA-N 0 3 362.386 2.558 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001543997505 1071579901 /nfs/dbraw/zinc/57/99/01/1071579901.db2.gz MPJSZVMPIXSIDJ-OAHLLOKOSA-N 0 3 368.437 2.914 20 5 FFBDHN CC([C@@H](OC(=O)c1ccc2c(n1)OCCO2)c1ccccc1F)[N+](=O)[O-] ZINC000847737076 1056493790 /nfs/dbraw/zinc/49/37/90/1056493790.db2.gz HTACCEZQLPFUHL-MEBBXXQBSA-N 0 3 362.313 2.555 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849483721 1056869508 /nfs/dbraw/zinc/86/95/08/1056869508.db2.gz IVHVJYKGVKESEK-HZPDHXFCSA-N 0 3 371.441 2.619 20 5 FFBDHN C[C@@H](c1nnc(N2C[C@H](C)N(Cc3ccccc3)[C@@H](C)[C@H]2C)n1C)[N+](=O)[O-] ZINC001519598449 1058867586 /nfs/dbraw/zinc/86/75/86/1058867586.db2.gz VZGUHLDTHGVPGK-JONQDZQNSA-N 0 3 372.473 2.641 20 5 FFBDHN COc1ccc(OC)c([C@H](O)CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000848522840 1060213231 /nfs/dbraw/zinc/21/32/31/1060213231.db2.gz YJAALBOFZSDHOU-SJLPKXTDSA-N 0 3 358.394 2.923 20 5 FFBDHN CN(C)CCN(C(=O)CCc1cc(F)ccc1[N+](=O)[O-])C1CCCC1 ZINC001457398753 1060363119 /nfs/dbraw/zinc/36/31/19/1060363119.db2.gz DWXBMEHCKVJXPA-UHFFFAOYSA-N 0 3 351.422 2.999 20 5 FFBDHN CN(C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCCN(C)C1 ZINC001476363985 1061398131 /nfs/dbraw/zinc/39/81/31/1061398131.db2.gz YDMVXKIXEOJPTN-LLVKDONJSA-N 0 3 371.235 2.915 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC001463269462 1062024745 /nfs/dbraw/zinc/02/47/45/1062024745.db2.gz DZZCVMSASMLNFP-UMVBOHGHSA-N 0 3 369.487 2.548 20 5 FFBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001467548696 1063777734 /nfs/dbraw/zinc/77/77/34/1063777734.db2.gz UNSJGDYHXKYREI-ZIAGYGMSSA-N 0 3 370.409 2.733 20 5 FFBDHN CN1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC12CCCCC2 ZINC001468225082 1063946951 /nfs/dbraw/zinc/94/69/51/1063946951.db2.gz HSBMBLHJRFWZQW-UHFFFAOYSA-N 0 3 357.414 2.562 20 5 FFBDHN C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC001470779878 1064449049 /nfs/dbraw/zinc/44/90/49/1064449049.db2.gz JWCBVQSDJMIVMU-WMLDXEAASA-N 0 3 356.426 2.574 20 5 FFBDHN CC(C)(C)OCCCN1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC001472864984 1065162106 /nfs/dbraw/zinc/16/21/06/1065162106.db2.gz YGFWJSQFSMOUKO-UHFFFAOYSA-N 0 3 361.446 2.798 20 5 FFBDHN COC(=O)c1cc(C)nc(N2CCN(C3CCCC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC001472878163 1065166015 /nfs/dbraw/zinc/16/60/15/1065166015.db2.gz JQUXPCIPLHOEPH-CYBMUJFWSA-N 0 3 362.430 2.538 20 5 FFBDHN CC(C)(C)OC(=O)N[C@@H]1CCCCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC001473708455 1065326661 /nfs/dbraw/zinc/32/66/61/1065326661.db2.gz CIJHAPCNIRBNPV-CQSZACIVSA-N 0 3 367.450 2.561 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001582803923 1079109794 /nfs/dbraw/zinc/10/97/94/1079109794.db2.gz CRGZZUNGMMLCCN-CYBMUJFWSA-N 0 3 357.418 2.594 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC001582803923 1079109796 /nfs/dbraw/zinc/10/97/96/1079109796.db2.gz CRGZZUNGMMLCCN-CYBMUJFWSA-N 0 3 357.418 2.594 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001582803923 1079109799 /nfs/dbraw/zinc/10/97/99/1079109799.db2.gz CRGZZUNGMMLCCN-CYBMUJFWSA-N 0 3 357.418 2.594 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC001582803923 1079109800 /nfs/dbraw/zinc/10/98/00/1079109800.db2.gz CRGZZUNGMMLCCN-CYBMUJFWSA-N 0 3 357.418 2.594 20 5 FFBDHN COC1CCN(CCNc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])CC1 ZINC001559123828 1076128082 /nfs/dbraw/zinc/12/80/82/1076128082.db2.gz PYINPSQSSCWKNO-UHFFFAOYSA-N 0 3 364.833 2.741 20 5 FFBDHN O=c1[nH]ccc(N2CCN(c3ccnc4ccccc43)CC2)c1[N+](=O)[O-] ZINC001559226671 1076137120 /nfs/dbraw/zinc/13/71/20/1076137120.db2.gz MOSKHXHDBIZILL-UHFFFAOYSA-N 0 3 351.366 2.570 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CNC1(CO)CCCCCCC1 ZINC001560082874 1076223837 /nfs/dbraw/zinc/22/38/37/1076223837.db2.gz IYYZUJJJIZEHTP-UHFFFAOYSA-N 0 3 365.430 2.607 20 5 FFBDHN C[C@H](N[C@H]1Cc2ccc(-c3nn[nH]n3)cc2C1)c1c(F)cccc1[N+](=O)[O-] ZINC001589953518 1080899813 /nfs/dbraw/zinc/89/98/13/1080899813.db2.gz FSUJXDIZRNQVGO-HZMBPMFUSA-N 0 3 368.372 2.732 20 5 FFBDHN C[C@H]1CCC[C@](CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC001590241025 1081115565 /nfs/dbraw/zinc/11/55/65/1081115565.db2.gz FZLDSDDZHQFOTF-SJCJKPOMSA-N 0 3 359.434 2.697 20 5 FFBDHN C[C@H]1CCC[C@](CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC001590241025 1081115567 /nfs/dbraw/zinc/11/55/67/1081115567.db2.gz FZLDSDDZHQFOTF-SJCJKPOMSA-N 0 3 359.434 2.697 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000377088848 512118632 /nfs/dbraw/zinc/11/86/32/512118632.db2.gz AOTKPGYOCGNEIR-KDOFPFPSSA-N 0 3 354.410 2.691 20 5 FFBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NC1CCN(Cc2ccccc2)CC1 ZINC000013779909 249320778 /nfs/dbraw/zinc/32/07/78/249320778.db2.gz BCVXIEVBPYWULE-UHFFFAOYSA-N 0 3 353.422 2.918 20 5 FFBDHN COc1cc(CNCCc2cccnc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272494253 252052715 /nfs/dbraw/zinc/05/27/15/252052715.db2.gz UYOBYYCDZYIZTL-UHFFFAOYSA-N 0 3 367.352 2.975 20 5 FFBDHN COc1cc(NCc2ccccc2CN2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000273225661 252256282 /nfs/dbraw/zinc/25/62/82/252256282.db2.gz RBFYQLURNCLYMU-QGZVFWFLSA-N 0 3 357.410 2.782 20 5 FFBDHN C[C@@H]1CN(CCCCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000273340148 252284253 /nfs/dbraw/zinc/28/42/53/252284253.db2.gz ACJSFMDWHQVELX-BETUJISGSA-N 0 3 368.409 2.745 20 5 FFBDHN CCCN(C)[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000285767823 257003711 /nfs/dbraw/zinc/00/37/11/257003711.db2.gz AASSRKZJTBVYLQ-CYBMUJFWSA-N 0 3 365.821 2.784 20 5 FFBDHN CCc1n[nH]c(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000278430110 256311742 /nfs/dbraw/zinc/31/17/42/256311742.db2.gz CYGFRFPWNGESIH-CJNGLKHVSA-N 0 3 371.441 2.521 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000278475319 256316702 /nfs/dbraw/zinc/31/67/02/256316702.db2.gz IUZYFLQDXUXRLO-UHFFFAOYSA-N 0 3 374.485 2.534 20 5 FFBDHN CC1(C)C[C@@H](NC[C@H]2COC3(CCOCC3)O2)c2cc([N+](=O)[O-])ccc21 ZINC000279169546 256389247 /nfs/dbraw/zinc/38/92/47/256389247.db2.gz UPVGJNRLOJPYGL-WMLDXEAASA-N 0 3 362.426 2.829 20 5 FFBDHN CN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CCN(CCc2ccccn2)CC1 ZINC000072054305 221399950 /nfs/dbraw/zinc/39/99/50/221399950.db2.gz WQMSHNFXQDSXOS-UHFFFAOYSA-N 0 3 368.437 2.769 20 5 FFBDHN C[C@H](N[C@H]1CCC[C@@H]1CCO)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000286261643 257028054 /nfs/dbraw/zinc/02/80/54/257028054.db2.gz STFUFWYPCMGJMP-WDMOLILDSA-N 0 3 355.822 2.716 20 5 FFBDHN C[C@@H](CN(C)C)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000286889889 257060327 /nfs/dbraw/zinc/06/03/27/257060327.db2.gz GEPHONURTUXDMK-AWEZNQCLSA-N 0 3 357.410 2.854 20 5 FFBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000288494287 257196135 /nfs/dbraw/zinc/19/61/35/257196135.db2.gz RSSMKLISTWWWCR-DOMZBBRYSA-N 0 3 353.369 2.772 20 5 FFBDHN C[C@H]1CN(CCCNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCCO1 ZINC000289618957 257290369 /nfs/dbraw/zinc/29/03/69/257290369.db2.gz JSDMLVTVJMZBHQ-LBPRGKRZSA-N 0 3 370.837 2.871 20 5 FFBDHN COc1cc(CNCCc2cn[nH]c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000289763642 257298089 /nfs/dbraw/zinc/29/80/89/257298089.db2.gz IHBQIXZOWFATOX-UHFFFAOYSA-N 0 3 374.319 2.600 20 5 FFBDHN O=C(CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000296435744 257706346 /nfs/dbraw/zinc/70/63/46/257706346.db2.gz WIZYIDBOEZJFPW-LYRGGWFBSA-N 0 3 365.817 2.734 20 5 FFBDHN CN(C(=O)c1ccc([N+](=O)[O-])s1)C1CCN(CCc2ccccn2)CC1 ZINC000299672829 258015506 /nfs/dbraw/zinc/01/55/06/258015506.db2.gz JILQXFTVHUYOAN-UHFFFAOYSA-N 0 3 374.466 2.830 20 5 FFBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000302177208 258092716 /nfs/dbraw/zinc/09/27/16/258092716.db2.gz OVEAETJKHVPBBF-IFXJQAMLSA-N 0 3 368.437 2.887 20 5 FFBDHN CCCN1CCC(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000302630235 258107231 /nfs/dbraw/zinc/10/72/31/258107231.db2.gz IXIYSZAPFKFHRR-UHFFFAOYSA-N 0 3 355.460 2.532 20 5 FFBDHN Cc1ccc([C@@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)N2CCCC2)o1 ZINC000302015895 258082519 /nfs/dbraw/zinc/08/25/19/258082519.db2.gz YJIJGARKRIAIBL-CYBMUJFWSA-N 0 3 356.386 2.788 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000330836934 258171741 /nfs/dbraw/zinc/17/17/41/258171741.db2.gz TWHIDYZCBKOKAP-PWSUYJOCSA-N 0 3 357.863 2.939 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1N1CCCC1 ZINC000332071462 258212819 /nfs/dbraw/zinc/21/28/19/258212819.db2.gz CIQDZRTUEVQHLS-HUUCEWRRSA-N 0 3 369.874 2.900 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CN1C[C@H](SC)[C@@H](N2CCCC2)C1 ZINC000332106519 258214319 /nfs/dbraw/zinc/21/43/19/258214319.db2.gz ZPIIKNJTODOBAS-RDJZCZTQSA-N 0 3 351.472 2.615 20 5 FFBDHN CCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000375209494 512212504 /nfs/dbraw/zinc/21/25/04/512212504.db2.gz FXZVIVXIMFUXBS-KRWDZBQOSA-N 0 3 354.410 2.726 20 5 FFBDHN CN1CCN(CCNc2ccc([N+](=O)[O-])cc2Br)CC1(C)C ZINC000440650979 513371420 /nfs/dbraw/zinc/37/14/20/513371420.db2.gz OKNVVKPNHPJIAW-UHFFFAOYSA-N 0 3 371.279 2.795 20 5 FFBDHN C[C@@H]1CN(C[C@@H]2CCCN2CCOc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000066377695 506500615 /nfs/dbraw/zinc/50/06/15/506500615.db2.gz JXEBVYCAEYMYPY-JZXOWHBKSA-N 0 3 363.458 2.547 20 5 FFBDHN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000066474333 506530441 /nfs/dbraw/zinc/53/04/41/506530441.db2.gz SKXQGIPMWDDVTL-HZPDHXFCSA-N 0 3 363.458 2.990 20 5 FFBDHN CN(C)[C@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000041799167 506551962 /nfs/dbraw/zinc/55/19/62/506551962.db2.gz UGMGCCFYYAFTMZ-KRWDZBQOSA-N 0 3 370.453 2.686 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000067052395 506738167 /nfs/dbraw/zinc/73/81/67/506738167.db2.gz VWPSVGMNTCPKAC-UHFFFAOYSA-N 0 3 363.483 2.995 20 5 FFBDHN COc1ccc(OCCN2CCC(c3c[nH]nc3C)CC2)c([N+](=O)[O-])c1 ZINC000375383949 512296428 /nfs/dbraw/zinc/29/64/28/512296428.db2.gz HPWFKAMWIDSURM-UHFFFAOYSA-N 0 3 360.414 2.893 20 5 FFBDHN COc1ccc(C(=O)N2C[C@@H](N(C)C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000067208517 506794734 /nfs/dbraw/zinc/79/47/34/506794734.db2.gz DCIRCUVGCJQUIW-HNNXBMFYSA-N 0 3 355.394 2.737 20 5 FFBDHN Cc1ccc([C@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)N(C)C)cc1 ZINC000067267894 506810190 /nfs/dbraw/zinc/81/01/90/506810190.db2.gz YEBSMIBSVDLASX-KRWDZBQOSA-N 0 3 367.409 2.812 20 5 FFBDHN C[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)N1CCC(C)CC1 ZINC000067273142 506813106 /nfs/dbraw/zinc/81/31/06/506813106.db2.gz GYZJFZPKFZDLIU-AWEZNQCLSA-N 0 3 351.472 2.924 20 5 FFBDHN CCCc1n[nH]c(C(=O)NC[C@H](c2ccccc2)N2CCCC2)c1[N+](=O)[O-] ZINC000068333444 507191282 /nfs/dbraw/zinc/19/12/82/507191282.db2.gz DAVPQPRFMLPCOG-MRXNPFEDSA-N 0 3 371.441 2.837 20 5 FFBDHN C[C@H]1CCCN(CCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000047145531 507271694 /nfs/dbraw/zinc/27/16/94/507271694.db2.gz HUFIMNVYTOMTLD-HNNXBMFYSA-N 0 3 360.458 2.657 20 5 FFBDHN Cc1cc(C(=O)NCC2CCN(c3ccncc3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000089393487 507835476 /nfs/dbraw/zinc/83/54/76/507835476.db2.gz ZEIRBQUUZCGXAX-UHFFFAOYSA-N 0 3 369.425 2.527 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000108305860 507886046 /nfs/dbraw/zinc/88/60/46/507886046.db2.gz IRJKUBKZTNWJIQ-SMDDNHRTSA-N 0 3 367.833 2.616 20 5 FFBDHN COc1ccc(OCCN2CCC[C@@H](Cc3nccn3C)C2)c([N+](=O)[O-])c1 ZINC000090004205 507900097 /nfs/dbraw/zinc/90/00/97/507900097.db2.gz NZCVAFPRVALXHZ-HNNXBMFYSA-N 0 3 374.441 2.670 20 5 FFBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](N(C)C)C1 ZINC000109808328 507988624 /nfs/dbraw/zinc/98/86/24/507988624.db2.gz UCDJOFBJLNVEAM-YPMHNXCESA-N 0 3 354.838 2.601 20 5 FFBDHN CN(CC(=O)N1CCC[C@H]1CN1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000079961385 508020720 /nfs/dbraw/zinc/02/07/20/508020720.db2.gz XYRSFCFOGIGNSN-INIZCTEOSA-N 0 3 360.458 2.508 20 5 FFBDHN C[C@@H](NC(=O)N1CCN(c2ccncc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000080045495 508029842 /nfs/dbraw/zinc/02/98/42/508029842.db2.gz YXCTWFHXAZKDKE-CQSZACIVSA-N 0 3 355.398 2.583 20 5 FFBDHN COC(=O)C(C)(C)[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000093282271 508134218 /nfs/dbraw/zinc/13/42/18/508134218.db2.gz OMMPRFUOBKGCEE-AWEZNQCLSA-N 0 3 350.415 2.885 20 5 FFBDHN COC(=O)C(C)(C)[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000093298381 508135904 /nfs/dbraw/zinc/13/59/04/508135904.db2.gz DGCWZMXSFSRZDW-AWEZNQCLSA-N 0 3 350.415 2.885 20 5 FFBDHN Cc1nc2n(n1)C[C@H](NCc1cc(=O)oc3ccc4ccccc4c13)CC2 ZINC000112549080 508195109 /nfs/dbraw/zinc/19/51/09/508195109.db2.gz MRYFAWIHQJBYGH-MRXNPFEDSA-N 0 3 360.417 2.951 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN(Cc2cccc(O)c2)CC2CC2)c1 ZINC000112978955 508236672 /nfs/dbraw/zinc/23/66/72/508236672.db2.gz ANFQVJZRNRGSLY-IBGZPJMESA-N 0 3 372.421 2.952 20 5 FFBDHN CCN1CCC(N(C)C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000105599413 508377339 /nfs/dbraw/zinc/37/73/39/508377339.db2.gz GXTGPECBDUTKIZ-GFCCVEGCSA-N 0 3 369.849 2.958 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(NCc2cccc(C(=O)NCCN(C)C)c2)c1 ZINC000088718784 508381804 /nfs/dbraw/zinc/38/18/04/508381804.db2.gz LVEDOHHKCDYTJY-UHFFFAOYSA-N 0 3 356.426 2.807 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CN1C1CC1 ZINC000133779928 508448380 /nfs/dbraw/zinc/44/83/80/508448380.db2.gz MZMQTUPOBVSRRH-BXKDBHETSA-N 0 3 357.332 2.969 20 5 FFBDHN C[C@H](c1ccccc1)N1CCC(NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000116063649 508468555 /nfs/dbraw/zinc/46/85/55/508468555.db2.gz BVYMOQIPERDDJA-OAHLLOKOSA-N 0 3 371.441 2.523 20 5 FFBDHN C[C@H](NCCN1C(=O)CNC1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000134084818 508490494 /nfs/dbraw/zinc/49/04/94/508490494.db2.gz OICKHYUTPHTZFP-NSHDSACASA-N 0 3 374.422 2.526 20 5 FFBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H](CO)Cc2ccccc2)c1 ZINC000152705674 508498871 /nfs/dbraw/zinc/49/88/71/508498871.db2.gz WESVJERWESLAIH-CQSZACIVSA-N 0 3 352.337 2.889 20 5 FFBDHN O=C(N[C@H]1CCN(CC2CC2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000122382552 508526265 /nfs/dbraw/zinc/52/62/65/508526265.db2.gz CUHVJKYPDHMZGU-INIZCTEOSA-N 0 3 358.442 2.753 20 5 FFBDHN COc1ccc(C(=O)N(CCN(C)C)Cc2cccc(O)c2)cc1[N+](=O)[O-] ZINC000157217505 508538926 /nfs/dbraw/zinc/53/89/26/508538926.db2.gz MMEHLWWLJPQGIA-UHFFFAOYSA-N 0 3 373.409 2.513 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NCC(C)(C)N1CCCCC1 ZINC000123020958 508623312 /nfs/dbraw/zinc/62/33/12/508623312.db2.gz FKDWMONPWZISPS-UHFFFAOYSA-N 0 3 350.419 2.989 20 5 FFBDHN COc1ccc(OCCN(C)[C@@H]2CCCc3c2cnn3C)c([N+](=O)[O-])c1 ZINC000135593984 508629522 /nfs/dbraw/zinc/62/95/22/508629522.db2.gz YYWACIFTAPMQDG-OAHLLOKOSA-N 0 3 360.414 2.725 20 5 FFBDHN CCOc1ccc([C@@H](C)NC[C@@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000153901946 508673443 /nfs/dbraw/zinc/67/34/43/508673443.db2.gz FLSQBSSYHZZVNM-HUUCEWRRSA-N 0 3 351.447 2.612 20 5 FFBDHN C[C@H]1C[C@@H](N(C)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCN1C ZINC000123419124 508684042 /nfs/dbraw/zinc/68/40/42/508684042.db2.gz ZECRQZLQAFJAKE-HOCLYGCPSA-N 0 3 360.458 2.750 20 5 FFBDHN CC[C@@H](NC(=O)c1ccnc(OCCN(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000119061465 508717631 /nfs/dbraw/zinc/71/76/31/508717631.db2.gz OULXNNXQBRUKRG-QGZVFWFLSA-N 0 3 372.425 2.811 20 5 FFBDHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC1CCN(C2CC2)CC1 ZINC000119123306 508730851 /nfs/dbraw/zinc/73/08/51/508730851.db2.gz NCMMKRQMMRSGEO-UHFFFAOYSA-N 0 3 360.458 2.844 20 5 FFBDHN Cc1nccn1CCCN(C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000130936975 508867875 /nfs/dbraw/zinc/86/78/75/508867875.db2.gz ANUFJSPQIUUMAW-UHFFFAOYSA-N 0 3 365.821 2.714 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CCC(=O)OC(C)(C)C ZINC000150830076 508902845 /nfs/dbraw/zinc/90/28/45/508902845.db2.gz PZTBMZPPDVOSFV-UHFFFAOYSA-N 0 3 365.430 2.895 20 5 FFBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@](C)(O)c1ccsc1 ZINC000159973998 508919282 /nfs/dbraw/zinc/91/92/82/508919282.db2.gz NLVJFBAYZYXBDS-YVEFUNNKSA-N 0 3 363.439 2.871 20 5 FFBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N(C)C1CC1 ZINC000132320176 509014554 /nfs/dbraw/zinc/01/45/54/509014554.db2.gz XMZNIQXGMGRPNN-LBPRGKRZSA-N 0 3 367.471 2.546 20 5 FFBDHN CCN1CCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000151627834 509055458 /nfs/dbraw/zinc/05/54/58/509055458.db2.gz HDZZCZGKLGPFOO-CYBMUJFWSA-N 0 3 370.247 2.500 20 5 FFBDHN CCCN1CCC(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000191909083 509240507 /nfs/dbraw/zinc/24/05/07/509240507.db2.gz LQWRHNNELZZEET-UHFFFAOYSA-N 0 3 369.487 2.612 20 5 FFBDHN C[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1COc2ccccc21 ZINC000185645691 509283556 /nfs/dbraw/zinc/28/35/56/509283556.db2.gz OHTRSWFZYHAMER-CXAGYDPISA-N 0 3 355.394 2.712 20 5 FFBDHN CN(C)[C@H]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000182606851 509329987 /nfs/dbraw/zinc/32/99/87/509329987.db2.gz RCCRFCFHKSMMCC-LBPRGKRZSA-N 0 3 357.863 2.893 20 5 FFBDHN C[C@H]1CN(C)c2ccccc2CN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248474789 509335985 /nfs/dbraw/zinc/33/59/85/509335985.db2.gz XJHJMEHATADSRF-DOTOQJQBSA-N 0 3 371.437 2.675 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCS[C@H]2CCCC[C@H]21 ZINC000248473138 509336318 /nfs/dbraw/zinc/33/63/18/509336318.db2.gz WRDMEHURAVYZBO-UNEWFSDZSA-N 0 3 352.456 2.695 20 5 FFBDHN COc1cc(CN[C@H](CO)Cc2cccc(C)c2)c([N+](=O)[O-])cc1OC ZINC000189021320 509372337 /nfs/dbraw/zinc/37/23/37/509372337.db2.gz KDYLBNJLWUFANZ-INIZCTEOSA-N 0 3 360.410 2.614 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CN1C1CC1 ZINC000185837997 509378759 /nfs/dbraw/zinc/37/87/59/509378759.db2.gz JNIJYKWZJMJAOO-ZYHUDNBSSA-N 0 3 352.822 2.673 20 5 FFBDHN COc1cc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000248716307 509449280 /nfs/dbraw/zinc/44/92/80/509449280.db2.gz BWGZVRNRUNFATM-WMLDXEAASA-N 0 3 369.421 2.854 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H]2CCCc3c(O)cccc32)c1 ZINC000192364065 509484039 /nfs/dbraw/zinc/48/40/39/509484039.db2.gz CJZJLXINUOKCLN-KDOFPFPSSA-N 0 3 358.394 2.707 20 5 FFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)[C@H](C)C1 ZINC000173259545 509485094 /nfs/dbraw/zinc/48/50/94/509485094.db2.gz XMICXBFCERNSMY-CJNGLKHVSA-N 0 3 369.487 2.562 20 5 FFBDHN O=C1CCCN1C[C@H](NCCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000179562464 509513949 /nfs/dbraw/zinc/51/39/49/509513949.db2.gz BWRLQEOUPWNHCU-KRWDZBQOSA-N 0 3 369.421 2.927 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248880613 509526221 /nfs/dbraw/zinc/52/62/21/509526221.db2.gz RPWNZFGHIWXNIO-RDTXWAMCSA-N 0 3 369.421 2.854 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000248907188 509540182 /nfs/dbraw/zinc/54/01/82/509540182.db2.gz UYOOUKDRAJTEKV-HNAYVOBHSA-N 0 3 369.421 2.610 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000173368587 509557255 /nfs/dbraw/zinc/55/72/55/509557255.db2.gz ZWCLRCRIDRVHLF-MOPGFXCFSA-N 0 3 370.384 2.671 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@@H](N4CCCCC4)C3)o2)cc1 ZINC000264559566 509600034 /nfs/dbraw/zinc/60/00/34/509600034.db2.gz FIEWSSZALNTKHC-MRXNPFEDSA-N 0 3 357.414 2.705 20 5 FFBDHN Cc1sc(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000176691715 509644935 /nfs/dbraw/zinc/64/49/35/509644935.db2.gz OHWXDTTTXFHECE-TXEJJXNPSA-N 0 3 355.460 2.584 20 5 FFBDHN NC(=O)COc1cccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192908856 509695095 /nfs/dbraw/zinc/69/50/95/509695095.db2.gz GOMZBWOWLUZENU-GOSISDBHSA-N 0 3 355.394 2.626 20 5 FFBDHN COC(=O)c1cnc(NC[C@@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000192959747 509716387 /nfs/dbraw/zinc/71/63/87/509716387.db2.gz MVLZUFSIMIZSQI-HNNXBMFYSA-N 0 3 370.409 2.710 20 5 FFBDHN CN(Cc1cc(=O)oc2ccc3ccccc3c12)CC1(O)CCOCC1 ZINC000189767337 509740566 /nfs/dbraw/zinc/74/05/66/509740566.db2.gz AVFOFNKXVPVSMA-UHFFFAOYSA-N 0 3 353.418 2.920 20 5 FFBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1CCN(C2CCCC2)CC1 ZINC000176937317 509775465 /nfs/dbraw/zinc/77/54/65/509775465.db2.gz RXRIWWVXBIEVDI-UHFFFAOYSA-N 0 3 367.471 2.589 20 5 FFBDHN C[C@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCN1CC(C)(C)O ZINC000189884874 509809033 /nfs/dbraw/zinc/80/90/33/509809033.db2.gz RSHDFRWAJUWUHD-AWEZNQCLSA-N 0 3 374.441 2.527 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)N2C(C)C ZINC000173845942 509812164 /nfs/dbraw/zinc/81/21/64/509812164.db2.gz FOLIDJFQCNANDU-ZBFHGGJFSA-N 0 3 367.471 2.539 20 5 FFBDHN O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@H](N2CCCC2)C1 ZINC000177089196 509864276 /nfs/dbraw/zinc/86/42/76/509864276.db2.gz KEWRLGSHHPPLAL-LBPRGKRZSA-N 0 3 368.231 2.668 20 5 FFBDHN O=C(NCCN1CCCCCC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180348480 509880448 /nfs/dbraw/zinc/88/04/48/509880448.db2.gz OUOXCCQZPGPKGK-UHFFFAOYSA-N 0 3 357.357 2.802 20 5 FFBDHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000177138842 509895123 /nfs/dbraw/zinc/89/51/23/509895123.db2.gz DWXKROFEJHXYPI-ZYHUDNBSSA-N 0 3 370.356 2.897 20 5 FFBDHN Nc1ccc([N+](=O)[O-])c(NC[C@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000193529157 509951319 /nfs/dbraw/zinc/95/13/19/509951319.db2.gz JKXKBQSKOUNXET-KRWDZBQOSA-N 0 3 356.426 2.880 20 5 FFBDHN C[C@H]1CCCCN1CCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000180531206 509969552 /nfs/dbraw/zinc/96/95/52/509969552.db2.gz CHIPZPVINPFHAW-NSHDSACASA-N 0 3 370.247 2.962 20 5 FFBDHN CN1CC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000245631612 510049885 /nfs/dbraw/zinc/04/98/85/510049885.db2.gz IBMBRSMXNJWZTA-QZTJIDSGSA-N 0 3 354.410 2.839 20 5 FFBDHN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1F)CCNC2 ZINC000261751205 510050672 /nfs/dbraw/zinc/05/06/72/510050672.db2.gz PFENHGTVXQJYIC-UHFFFAOYSA-N 0 3 359.357 2.787 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1CN(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000190310364 510055207 /nfs/dbraw/zinc/05/52/07/510055207.db2.gz UAVBDTDWEAHHRR-OAQYLSRUSA-N 0 3 369.465 2.972 20 5 FFBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000180723904 510074209 /nfs/dbraw/zinc/07/42/09/510074209.db2.gz MBJPPVRWZPIFTB-UHFFFAOYSA-N 0 3 374.466 2.881 20 5 FFBDHN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H](N(C)C)C1 ZINC000245799009 510149433 /nfs/dbraw/zinc/14/94/33/510149433.db2.gz HUDIGWLJTUBFFQ-WCQYABFASA-N 0 3 354.838 2.601 20 5 FFBDHN Cn1ccnc1[C@@H]1CNCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000262139547 510190973 /nfs/dbraw/zinc/19/09/73/510190973.db2.gz YYUQUZVFUSYUGE-KRWDZBQOSA-N 0 3 367.409 2.735 20 5 FFBDHN Cc1nn(C)c(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000187322041 510193021 /nfs/dbraw/zinc/19/30/21/510193021.db2.gz PVTCVMMPFWPCPE-MRXNPFEDSA-N 0 3 373.457 2.523 20 5 FFBDHN Cc1ccc([C@H](C)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000180941674 510197462 /nfs/dbraw/zinc/19/74/62/510197462.db2.gz ZQXZIBZIRFFXHJ-LBPRGKRZSA-N 0 3 369.468 2.594 20 5 FFBDHN COc1cc(CN[C@@H]2CCO[C@@]3(CCSC3)C2)c([N+](=O)[O-])cc1OC ZINC000269152070 510260018 /nfs/dbraw/zinc/26/00/18/510260018.db2.gz QEPZMJCLINMSTL-DYVFJYSZSA-N 0 3 368.455 2.756 20 5 FFBDHN C[C@@H]1NCCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H]1C ZINC000262853257 510440733 /nfs/dbraw/zinc/44/07/33/510440733.db2.gz SOXIUGINGCRYAM-QWRGUYRKSA-N 0 3 374.363 2.624 20 5 FFBDHN CCOC(=O)C1CCC(O)(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000191029213 510473102 /nfs/dbraw/zinc/47/31/02/510473102.db2.gz HNFDVUDEDNZXEE-VNSJNIRKSA-N 0 3 350.415 2.730 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H](CO)c1ccccc1 ZINC000269603271 510480042 /nfs/dbraw/zinc/48/00/42/510480042.db2.gz PZHPPRQTHFRHCJ-QGZVFWFLSA-N 0 3 373.409 2.597 20 5 FFBDHN CC1CCN(c2ccc(C(=O)NC[C@@H]3CCCN3C)cc2[N+](=O)[O-])CC1 ZINC000194730654 510499933 /nfs/dbraw/zinc/49/99/33/510499933.db2.gz ZEQGYVRVXQTSMD-INIZCTEOSA-N 0 3 360.458 2.655 20 5 FFBDHN COc1cc(C(=O)NCc2ccc(CN(C)C)cc2)cc([N+](=O)[O-])c1C ZINC000191148011 510523702 /nfs/dbraw/zinc/52/37/02/510523702.db2.gz JUUQJJNMEYUHJJ-UHFFFAOYSA-N 0 3 357.410 2.903 20 5 FFBDHN CC(C)[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc2c(c1)OCCO2 ZINC000181975313 510686369 /nfs/dbraw/zinc/68/63/69/510686369.db2.gz FZCKHDZMQAEJCB-IBGZPJMESA-N 0 3 373.409 2.515 20 5 FFBDHN CCn1nccc1N1CCC[C@@H](NC/C=C/c2ccccc2[N+](=O)[O-])C1=O ZINC000191640893 510766862 /nfs/dbraw/zinc/76/68/62/510766862.db2.gz BVJDGHQORYLKNZ-CDVVCGDMSA-N 0 3 369.425 2.610 20 5 FFBDHN CC(C)CCOC1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182213587 510817280 /nfs/dbraw/zinc/81/72/80/510817280.db2.gz JIOPIYOCDUNIEM-MRXNPFEDSA-N 0 3 366.458 2.862 20 5 FFBDHN C[C@@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000247643339 510867644 /nfs/dbraw/zinc/86/76/44/510867644.db2.gz OQFHSYQTYHQBBW-RHSMWYFYSA-N 0 3 357.414 2.703 20 5 FFBDHN COc1ccc(OC)c([C@@H](O)CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000293887184 510888065 /nfs/dbraw/zinc/88/80/65/510888065.db2.gz VSAONHODHCBJJQ-GTNSWQLSSA-N 0 3 361.398 2.578 20 5 FFBDHN CN(C)CCn1nccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000294163503 510976281 /nfs/dbraw/zinc/97/62/81/510976281.db2.gz SCWFDWZJPKTUSZ-UHFFFAOYSA-N 0 3 359.411 2.820 20 5 FFBDHN Cc1cccn2c(=O)cc(CN(C)CCc3cccc([N+](=O)[O-])c3)nc12 ZINC000282461907 510988704 /nfs/dbraw/zinc/98/87/04/510988704.db2.gz MYKILUGQDMFSLO-UHFFFAOYSA-N 0 3 352.394 2.586 20 5 FFBDHN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@@H](N2CCCCC2)C1 ZINC000270878570 511012865 /nfs/dbraw/zinc/01/28/65/511012865.db2.gz VHMUHJLMIDFJNR-CQSZACIVSA-N 0 3 354.410 2.843 20 5 FFBDHN CN(C)CCn1nccc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000297758930 511060113 /nfs/dbraw/zinc/06/01/13/511060113.db2.gz LTWWYHKQZUFFNS-UHFFFAOYSA-N 0 3 371.319 2.624 20 5 FFBDHN C[C@@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@H]1N1CCN(C)CC1 ZINC000362077898 511128442 /nfs/dbraw/zinc/12/84/42/511128442.db2.gz KMUVLQZHZQQRQZ-RHSMWYFYSA-N 0 3 366.893 2.706 20 5 FFBDHN CC(C)OCCN1CCC(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000294788429 511178217 /nfs/dbraw/zinc/17/82/17/511178217.db2.gz AQQSJWDHJHLTCA-UHFFFAOYSA-N 0 3 369.849 2.867 20 5 FFBDHN O=C(CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000295094787 511280656 /nfs/dbraw/zinc/28/06/56/511280656.db2.gz AJACJTKWMZWURP-XZJROXQQSA-N 0 3 365.817 2.734 20 5 FFBDHN CN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295101741 511282701 /nfs/dbraw/zinc/28/27/01/511282701.db2.gz KLNMESFNNVAIFN-MJGOQNOKSA-N 0 3 357.410 2.760 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000295237871 511332340 /nfs/dbraw/zinc/33/23/40/511332340.db2.gz ZXCGTEABBPGYAX-TVQRCGJNSA-N 0 3 357.332 2.826 20 5 FFBDHN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCC2=CCN(C)CC2)CC1 ZINC000271920168 511371222 /nfs/dbraw/zinc/37/12/22/511371222.db2.gz KGKAQEBCMJLZDO-UHFFFAOYSA-N 0 3 372.469 2.823 20 5 FFBDHN O=[N+]([O-])c1ccc2c(ccnc2N2CCC(CN3CCOCC3)CC2)c1 ZINC000295568369 511447379 /nfs/dbraw/zinc/44/73/79/511447379.db2.gz QXIRBXMYZHGFGY-UHFFFAOYSA-N 0 3 356.426 2.692 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)C[C@H](O)COCCOC(C)C ZINC000272283975 511489998 /nfs/dbraw/zinc/48/99/98/511489998.db2.gz FUQFVNRXNGFUSA-WBVHZDCISA-N 0 3 354.447 2.699 20 5 FFBDHN CC[C@@H](C)N1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000295995915 511582373 /nfs/dbraw/zinc/58/23/73/511582373.db2.gz KILACDIRDPMJGT-OLZOCXBDSA-N 0 3 368.865 2.991 20 5 FFBDHN CN1CCC(Oc2ccc(CNC(=O)CCC(C)(C)[N+](=O)[O-])cc2)CC1 ZINC000296012224 511588697 /nfs/dbraw/zinc/58/86/97/511588697.db2.gz MQKVKNJGQIBQRC-UHFFFAOYSA-N 0 3 363.458 2.611 20 5 FFBDHN CC(C)NC(=O)c1ccc(N2CC[C@@]3(C2)CCCN(C)C3)c([N+](=O)[O-])c1 ZINC000292846697 511743073 /nfs/dbraw/zinc/74/30/73/511743073.db2.gz QXVHQQSURHINPK-IBGZPJMESA-N 0 3 360.458 2.655 20 5 FFBDHN COc1ccc(OCCN2CCC3(CCOCC3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000363792671 511770508 /nfs/dbraw/zinc/77/05/08/511770508.db2.gz GBQFNQCPIRNLIB-CQSZACIVSA-N 0 3 350.415 2.873 20 5 FFBDHN CC(C)c1n[nH]c(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000274326641 511795136 /nfs/dbraw/zinc/79/51/36/511795136.db2.gz YUTFYRKOGVUFPL-UKRRQHHQSA-N 0 3 371.441 2.692 20 5 FFBDHN C[C@H](NCC(=O)NC[C@H](c1ccccc1)N(C)C)c1ccccc1[N+](=O)[O-] ZINC000274667533 511905351 /nfs/dbraw/zinc/90/53/51/511905351.db2.gz RPADCHPPUMGIPO-HNAYVOBHSA-N 0 3 370.453 2.665 20 5 FFBDHN COc1cccc(COC[C@@H](O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000296840388 511918925 /nfs/dbraw/zinc/91/89/25/511918925.db2.gz XDOYRVVJPOKTJH-KSSFIOAISA-N 0 3 360.410 2.832 20 5 FFBDHN COc1cc(CN[C@H]2CCC[C@@H]2CCO)c([N+](=O)[O-])cc1OC(F)F ZINC000275056924 512028477 /nfs/dbraw/zinc/02/84/77/512028477.db2.gz NPACDYJRTGJYSE-PWSUYJOCSA-N 0 3 360.357 2.846 20 5 FFBDHN CCc1n[nH]c(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000371557829 512464490 /nfs/dbraw/zinc/46/44/90/512464490.db2.gz IABAZUIKIXMAPT-OAHLLOKOSA-N 0 3 371.441 2.522 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCSC[C@H]1C1CC1 ZINC000411782859 512809329 /nfs/dbraw/zinc/80/93/29/512809329.db2.gz FHBALWBYHGXTDX-HNNXBMFYSA-N 0 3 365.455 2.759 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCSC2(CCC2)CC1 ZINC000411872304 512852427 /nfs/dbraw/zinc/85/24/27/512852427.db2.gz UYXFNMGVOPGWQL-CQSZACIVSA-N 0 3 352.456 2.696 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCSC2(CCC2)CC1 ZINC000411872303 512852927 /nfs/dbraw/zinc/85/29/27/512852927.db2.gz UYXFNMGVOPGWQL-AWEZNQCLSA-N 0 3 352.456 2.696 20 5 FFBDHN CNc1ccc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000380467296 512873221 /nfs/dbraw/zinc/87/32/21/512873221.db2.gz QGUCLXUUMAPSQZ-KRWDZBQOSA-N 0 3 368.437 2.983 20 5 FFBDHN C[C@@H]1C[C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000397976613 512952139 /nfs/dbraw/zinc/95/21/39/512952139.db2.gz KWJZIHPNMNUTDR-CJNGLKHVSA-N 0 3 354.410 2.769 20 5 FFBDHN COc1ccc(CNC[C@]2(CO)C[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000428553547 513129218 /nfs/dbraw/zinc/12/92/18/513129218.db2.gz XIYOPPCELOHGGD-APWZRJJASA-N 0 3 360.385 2.998 20 5 FFBDHN CCc1ccccc1[C@H](N)CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417758536 513198228 /nfs/dbraw/zinc/19/82/28/513198228.db2.gz CIHBKMJBMVPUBY-QGZVFWFLSA-N 0 3 356.426 2.699 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCN1CCCC[C@@H]1C ZINC000439887531 513203304 /nfs/dbraw/zinc/20/33/04/513203304.db2.gz HQOCFSZLDJEHFA-ZDUSSCGKSA-N 0 3 350.419 2.989 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](SC)[C@@H](N(C)C)C1 ZINC000439885110 513203806 /nfs/dbraw/zinc/20/38/06/513203806.db2.gz BSPZMHPIFIVHFT-ZFWWWQNUSA-N 0 3 368.459 2.503 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCN1CCCC[C@H]1C ZINC000439887530 513203839 /nfs/dbraw/zinc/20/38/39/513203839.db2.gz HQOCFSZLDJEHFA-CYBMUJFWSA-N 0 3 350.419 2.989 20 5 FFBDHN CCN1C[C@@H](C)N(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C[C@H]1C ZINC000450500782 513223119 /nfs/dbraw/zinc/22/31/19/513223119.db2.gz OEASKYBKAHKMOK-CHWSQXEVSA-N 0 3 357.414 2.540 20 5 FFBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN([C@H]2C[C@H]2C)C[C@H](C)C1 ZINC000429001789 513248015 /nfs/dbraw/zinc/24/80/15/513248015.db2.gz WZHFBRAJVKXBPV-ADAWSYLGSA-N 0 3 360.458 2.584 20 5 FFBDHN O=C(CN[C@H]1Cc2cccc(O)c2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000429321958 513339435 /nfs/dbraw/zinc/33/94/35/513339435.db2.gz GRMWLZQIIMGINM-LBPRGKRZSA-N 0 3 361.785 2.649 20 5 FFBDHN C[C@@H]1CCCN(c2ccc(C(=O)N3CCN[C@H](C)[C@H]3C)cc2[N+](=O)[O-])C1 ZINC000434715301 513406152 /nfs/dbraw/zinc/40/61/52/513406152.db2.gz XNNKBBVUBUFETK-RBSFLKMASA-N 0 3 360.458 2.654 20 5 FFBDHN CC(C)(CO)[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000429725976 513453176 /nfs/dbraw/zinc/45/31/76/513453176.db2.gz ZQUOKHNSQMIZIS-APWZRJJASA-N 0 3 374.437 2.684 20 5 FFBDHN C[C@@H]1CN(CCCCNc2nccc3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000413179978 513502109 /nfs/dbraw/zinc/50/21/09/513502109.db2.gz DCFCCUFNSSXUCN-HUUCEWRRSA-N 0 3 358.442 2.866 20 5 FFBDHN C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441276561 513525915 /nfs/dbraw/zinc/52/59/15/513525915.db2.gz KLSHLTGQLWKRBZ-NHYWBVRUSA-N 0 3 372.347 2.864 20 5 FFBDHN CCN(CCCN1CCCC1)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000451112344 513532413 /nfs/dbraw/zinc/53/24/13/513532413.db2.gz IWWWLVHQJBACAD-UHFFFAOYSA-N 0 3 361.442 2.892 20 5 FFBDHN O=C(NC[C@@H]1NCCc2ccccc21)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418640254 513586718 /nfs/dbraw/zinc/58/67/18/513586718.db2.gz QREKZARPCRTUQS-IBGZPJMESA-N 0 3 366.421 2.550 20 5 FFBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000451295498 513659206 /nfs/dbraw/zinc/65/92/06/513659206.db2.gz DNSUSYFKQVRWJG-ZTFGCOKTSA-N 0 3 364.442 2.744 20 5 FFBDHN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2F)n(C2CCN(C)CC2)n1 ZINC000430480419 513663821 /nfs/dbraw/zinc/66/38/21/513663821.db2.gz CJKUMVMHHLLHSF-UHFFFAOYSA-N 0 3 361.377 2.758 20 5 FFBDHN Cc1cc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)n(C2CCN(C)CC2)n1 ZINC000430483277 513665614 /nfs/dbraw/zinc/66/56/14/513665614.db2.gz KPOVEDBVGPAPCS-UHFFFAOYSA-N 0 3 357.414 2.927 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H](c2ccc(F)c(Cl)c2)C2CC2)c1 ZINC000451354559 513698279 /nfs/dbraw/zinc/69/82/79/513698279.db2.gz NMBQOSZZYUSVNT-XJKSGUPXSA-N 0 3 368.796 2.686 20 5 FFBDHN C[C@@]12CN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451368996 513705490 /nfs/dbraw/zinc/70/54/90/513705490.db2.gz MWBIIQUWVYFOMS-WNJKXWAASA-N 0 3 353.422 2.628 20 5 FFBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(CCOCC4CCC4)CC3)nc2c1 ZINC000419255194 513757860 /nfs/dbraw/zinc/75/78/60/513757860.db2.gz YDQUBIRMNZZESY-UHFFFAOYSA-N 0 3 373.457 2.800 20 5 FFBDHN CC1(C)[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]2CCCO[C@@H]21 ZINC000451479056 513776761 /nfs/dbraw/zinc/77/67/61/513776761.db2.gz LQWZMMAJFMIPTA-LYRGGWFBSA-N 0 3 367.833 2.980 20 5 FFBDHN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCCCN1CCCCCC1 ZINC000448604474 513804950 /nfs/dbraw/zinc/80/49/50/513804950.db2.gz IFFBBGVUKAXMKK-UHFFFAOYSA-N 0 3 361.442 2.940 20 5 FFBDHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000436718863 513955527 /nfs/dbraw/zinc/95/55/27/513955527.db2.gz BNYZVDWMJKBOSC-MRXNPFEDSA-N 0 3 369.421 2.883 20 5 FFBDHN CC[C@@H]1CCCCN1CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448984991 514007944 /nfs/dbraw/zinc/00/79/44/514007944.db2.gz VKHNQVXHFSAYDY-MRXNPFEDSA-N 0 3 371.441 2.775 20 5 FFBDHN CN(C)CCN(C)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000426685051 514014950 /nfs/dbraw/zinc/01/49/50/514014950.db2.gz FOVBRAWMKYMFKK-UHFFFAOYSA-N 0 3 357.410 2.807 20 5 FFBDHN NC(=O)c1ccc(CNC2(Cc3ccccc3)CCOCC2)c([N+](=O)[O-])c1 ZINC000451943550 514085211 /nfs/dbraw/zinc/08/52/11/514085211.db2.gz WMVCLZDXNZFKNL-UHFFFAOYSA-N 0 3 369.421 2.575 20 5 FFBDHN COc1ccc(OCCN2CCNC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000420419334 514142321 /nfs/dbraw/zinc/14/23/21/514142321.db2.gz XQFBRXMFZXRKGV-SFHVURJKSA-N 0 3 357.410 2.629 20 5 FFBDHN COc1cc(C[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)c([N+](=O)[O-])cc1[O-] ZINC000449543598 514248566 /nfs/dbraw/zinc/24/85/66/514248566.db2.gz TXBPGSCOIYIEIU-WMLDXEAASA-N 0 3 359.382 2.714 20 5 FFBDHN Cn1cc(CN2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449558872 514254720 /nfs/dbraw/zinc/25/47/20/514254720.db2.gz XEJBXNAGRUUYSY-GPMSIDNRSA-N 0 3 370.453 2.978 20 5 FFBDHN CC1(C)CCCN(CCNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000444628312 514278243 /nfs/dbraw/zinc/27/82/43/514278243.db2.gz HXMMKXVDQZLOJJ-UHFFFAOYSA-N 0 3 371.441 2.632 20 5 FFBDHN C[C@@H](NS(=O)(=O)c1ccc(CN(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000432858136 514303263 /nfs/dbraw/zinc/30/32/63/514303263.db2.gz HVZHIXLLAVKNMJ-CYBMUJFWSA-N 0 3 363.439 2.696 20 5 FFBDHN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCCN1CCCCCC1 ZINC000427891255 514341152 /nfs/dbraw/zinc/34/11/52/514341152.db2.gz AKCJLUDDFQVQFU-UHFFFAOYSA-N 0 3 372.425 2.514 20 5 FFBDHN C[C@H]1CCCCN1CCNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000427920236 514345929 /nfs/dbraw/zinc/34/59/29/514345929.db2.gz AUVQPJRTCVWQCP-AWEZNQCLSA-N 0 3 372.425 2.512 20 5 FFBDHN Cn1ccnc1[C@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000449774703 514349791 /nfs/dbraw/zinc/34/97/91/514349791.db2.gz PFAULXSKNWJKOS-IUODEOHRSA-N 0 3 350.806 2.992 20 5 FFBDHN C[C@@]1(Cc2ccc(F)cc2)CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000420921463 514377072 /nfs/dbraw/zinc/37/70/72/514377072.db2.gz CUROLWXDRHLUIB-IBGZPJMESA-N 0 3 359.401 2.993 20 5 FFBDHN CN(C)CCOc1cccc(NC(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000466141810 514565989 /nfs/dbraw/zinc/56/59/89/514565989.db2.gz IOKWBLQAOPEDDK-UHFFFAOYSA-N 0 3 372.425 2.899 20 5 FFBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000470822256 514627464 /nfs/dbraw/zinc/62/74/64/514627464.db2.gz QHMKBXQOYMJJDN-HFTRVMKXSA-N 0 3 373.432 2.990 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000462190959 514932879 /nfs/dbraw/zinc/93/28/79/514932879.db2.gz RNCWPDHHSNVFGO-UGSOOPFHSA-N 0 3 357.385 2.984 20 5 FFBDHN CCC[C@H](NCCN1C(=O)NC2(CCCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000480695527 515047876 /nfs/dbraw/zinc/04/78/76/515047876.db2.gz RRBMVIZIEPDVSD-INIZCTEOSA-N 0 3 374.441 2.890 20 5 FFBDHN C[C@H](NC[C@]1(O)CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000467849780 515146776 /nfs/dbraw/zinc/14/67/76/515146776.db2.gz IRKZSXCAQWFDJD-OXJNMPFZSA-N 0 3 355.438 2.882 20 5 FFBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(CN(C)C)cc1 ZINC000468185734 515253714 /nfs/dbraw/zinc/25/37/14/515253714.db2.gz HITWNVNJRIISLX-OAHLLOKOSA-N 0 3 374.445 2.528 20 5 FFBDHN CS[C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1N1CCCC1 ZINC000509622079 515262384 /nfs/dbraw/zinc/26/23/84/515262384.db2.gz BFIIWQYJFAVELL-JKSUJKDBSA-N 0 3 357.426 2.885 20 5 FFBDHN CNc1c(C(=O)Nc2cccc(OCCN(C)C)c2)cccc1[N+](=O)[O-] ZINC000462929871 515303118 /nfs/dbraw/zinc/30/31/18/515303118.db2.gz UEGQXOOYJZALKH-UHFFFAOYSA-N 0 3 358.398 2.829 20 5 FFBDHN Cc1c([C@H](C)NC[C@@H](O)COc2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000481554757 515377573 /nfs/dbraw/zinc/37/75/73/515377573.db2.gz CBGZCFJZGCYGTN-UONOGXRCSA-N 0 3 374.393 2.722 20 5 FFBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000468479138 515378324 /nfs/dbraw/zinc/37/83/24/515378324.db2.gz MCOOTAHFRXMNQK-HNNXBMFYSA-N 0 3 351.472 2.924 20 5 FFBDHN O=C(Cc1ccccc1)N1CCC[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000509961086 515383319 /nfs/dbraw/zinc/38/33/19/515383319.db2.gz XJCJQHZJOJQQEE-GOSISDBHSA-N 0 3 353.422 2.918 20 5 FFBDHN CN(C)CCOc1cccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c1 ZINC000500108788 515593992 /nfs/dbraw/zinc/59/39/92/515593992.db2.gz VTUWGIXGTHTBEH-UHFFFAOYSA-N 0 3 362.361 2.509 20 5 FFBDHN CC(C)[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1(CO)CCCC1 ZINC000459546350 515638155 /nfs/dbraw/zinc/63/81/55/515638155.db2.gz UOOUHRJOHJGDDI-GOSISDBHSA-N 0 3 363.458 2.725 20 5 FFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@H]1C ZINC000493891582 515678862 /nfs/dbraw/zinc/67/88/62/515678862.db2.gz OEJLICDPQHHOSB-CABCVRRESA-N 0 3 369.487 2.705 20 5 FFBDHN CCc1ccc(C(=O)Nc2ccnc(OCCN(C)C)c2)cc1[N+](=O)[O-] ZINC000478044334 515680227 /nfs/dbraw/zinc/68/02/27/515680227.db2.gz ZECDPYWERUYYNW-UHFFFAOYSA-N 0 3 358.398 2.745 20 5 FFBDHN C[C@@H]1[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000494061267 515723807 /nfs/dbraw/zinc/72/38/07/515723807.db2.gz VKMFQDBXLXJQJW-WBVHZDCISA-N 0 3 368.437 2.786 20 5 FFBDHN CNc1nc(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000454958052 515857604 /nfs/dbraw/zinc/85/76/04/515857604.db2.gz VHHNTFBPTUDSBS-UKRRQHHQSA-N 0 3 369.425 2.597 20 5 FFBDHN CN1C[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000478533690 515861085 /nfs/dbraw/zinc/86/10/85/515861085.db2.gz GKIMNYZCISDFSD-WMZOPIPTSA-N 0 3 368.437 2.611 20 5 FFBDHN CN(C)C[C@@H]1CCCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000464924072 516017443 /nfs/dbraw/zinc/01/74/43/516017443.db2.gz RYFRMRYAWMWZAN-ZDUSSCGKSA-N 0 3 355.822 2.570 20 5 FFBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000501228235 516022862 /nfs/dbraw/zinc/02/28/62/516022862.db2.gz MRCQQNKSHFJBPX-DOTOQJQBSA-N 0 3 369.421 2.925 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000501504939 516129661 /nfs/dbraw/zinc/12/96/61/516129661.db2.gz OSDWFBGASOZICW-CHWSQXEVSA-N 0 3 350.419 2.988 20 5 FFBDHN C[C@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000501540229 516146698 /nfs/dbraw/zinc/14/66/98/516146698.db2.gz YVLAJYWKCWZAKZ-HUUCEWRRSA-N 0 3 363.462 2.569 20 5 FFBDHN CNc1nc(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000455406010 516181891 /nfs/dbraw/zinc/18/18/91/516181891.db2.gz GIUCOGQLYOADEX-CYBMUJFWSA-N 0 3 371.441 2.891 20 5 FFBDHN CN1CCC(Nc2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1 ZINC000502081092 516299679 /nfs/dbraw/zinc/29/96/79/516299679.db2.gz OROFAOXPHJZSDQ-UHFFFAOYSA-N 0 3 365.231 2.834 20 5 FFBDHN CCN1CCC[C@H]1CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000497481285 516323586 /nfs/dbraw/zinc/32/35/86/516323586.db2.gz HGUHMNYWDKXFDC-AWEZNQCLSA-N 0 3 354.838 2.574 20 5 FFBDHN CCc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])nn2C)N(CC)CC)cc1 ZINC000554226941 516334439 /nfs/dbraw/zinc/33/44/39/516334439.db2.gz NFPYBDPZNYXHEP-QGZVFWFLSA-N 0 3 373.457 2.704 20 5 FFBDHN CCN(CCN1CCCCCC1)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000554271020 516354499 /nfs/dbraw/zinc/35/44/99/516354499.db2.gz DKMSSRAKTLROLN-UHFFFAOYSA-N 0 3 362.474 2.756 20 5 FFBDHN COc1cnccc1N1CCN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)CC1 ZINC000557663195 516367796 /nfs/dbraw/zinc/36/77/96/516367796.db2.gz XNDYPBUFRFWVGL-UHFFFAOYSA-N 0 3 356.382 2.528 20 5 FFBDHN CCN(CCNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)C1CC1 ZINC000550689920 516384365 /nfs/dbraw/zinc/38/43/65/516384365.db2.gz FQDQWCRAYBCSPE-UHFFFAOYSA-N 0 3 370.247 2.880 20 5 FFBDHN CCN(CCN1CCCCCC1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000557848802 516469798 /nfs/dbraw/zinc/46/97/98/516469798.db2.gz KJVWPAAXOGASCE-UHFFFAOYSA-N 0 3 369.487 2.623 20 5 FFBDHN NC(=O)[C@@H](Cc1ccc(F)cc1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000544069795 516567884 /nfs/dbraw/zinc/56/78/84/516567884.db2.gz QLBDLDDGMVIURF-OAHLLOKOSA-N 0 3 365.792 2.616 20 5 FFBDHN CN1CCC(Nc2ccccc2NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000531887556 516692783 /nfs/dbraw/zinc/69/27/83/516692783.db2.gz IIWNRNHPLMSGSC-UHFFFAOYSA-N 0 3 355.398 2.748 20 5 FFBDHN COc1ccc(CC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000536262823 516700215 /nfs/dbraw/zinc/70/02/15/516700215.db2.gz JGHNCNIQONLFBD-OXQOHEQNSA-N 0 3 369.421 2.708 20 5 FFBDHN C[C@H]1C[C@H]1N1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H](C)C1 ZINC000561760651 516754249 /nfs/dbraw/zinc/75/42/49/516754249.db2.gz IGDWIAYLRLJGFQ-GDZNZVCISA-N 0 3 356.426 2.878 20 5 FFBDHN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000519019681 516857606 /nfs/dbraw/zinc/85/76/06/516857606.db2.gz AJNZHYFUXVSOFL-UHFFFAOYSA-N 0 3 357.414 2.692 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCC[C@H]1CN(C)C ZINC000519139857 516897566 /nfs/dbraw/zinc/89/75/66/516897566.db2.gz CZMKHAKOPNEEBQ-JSGCOSHPSA-N 0 3 369.849 2.958 20 5 FFBDHN O=[N+]([O-])c1ccn(Cc2nc(-c3ccccc3CN3CCCCC3)no2)n1 ZINC000544810684 516938702 /nfs/dbraw/zinc/93/87/02/516938702.db2.gz MIEJRXYIQURCGR-UHFFFAOYSA-N 0 3 368.397 2.876 20 5 FFBDHN COc1ccc(CNC[C@@H](O)COc2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000514720709 517023657 /nfs/dbraw/zinc/02/36/57/517023657.db2.gz WXBUTOOYCWVPAM-MRXNPFEDSA-N 0 3 360.410 2.750 20 5 FFBDHN COC(=O)c1cnc(N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000514752255 517039223 /nfs/dbraw/zinc/03/92/23/517039223.db2.gz QGEJOVSOYGFIOQ-CZUORRHYSA-N 0 3 370.409 2.851 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC2(c3ccccc3)CCOCC2)c1 ZINC000532707966 517106772 /nfs/dbraw/zinc/10/67/72/517106772.db2.gz IAGQPSTZZZYSSZ-GOSISDBHSA-N 0 3 372.421 2.630 20 5 FFBDHN O=C1CC[C@H](NCc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@@H](C2CC2)N1 ZINC000559234410 517124390 /nfs/dbraw/zinc/12/43/90/517124390.db2.gz MVVBPAAWNAKPGH-DZGCQCFKSA-N 0 3 357.332 2.760 20 5 FFBDHN O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000548751547 517188831 /nfs/dbraw/zinc/18/88/31/517188831.db2.gz HRATVAVKIOCZMN-GOSISDBHSA-N 0 3 368.437 2.561 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCC[C@H](C3CC3)C2)cc1 ZINC000541737681 517193443 /nfs/dbraw/zinc/19/34/43/517193443.db2.gz ALTZPXIZOVHWFK-GJZGRUSLSA-N 0 3 352.456 2.927 20 5 FFBDHN CCN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000545476804 517257995 /nfs/dbraw/zinc/25/79/95/517257995.db2.gz KBAIEZXIVJDHIP-MRXNPFEDSA-N 0 3 356.426 2.670 20 5 FFBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000559467633 517272628 /nfs/dbraw/zinc/27/26/28/517272628.db2.gz SGJRPMLTJQVSGL-MOPGFXCFSA-N 0 3 364.442 2.792 20 5 FFBDHN COC(=O)CC1(NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCCCC1 ZINC000533068599 517278027 /nfs/dbraw/zinc/27/80/27/517278027.db2.gz DQMBJXRWPHHBGG-UHFFFAOYSA-N 0 3 363.414 2.697 20 5 FFBDHN CCN(Cc1ccc2c(c1)OCO2)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000520452927 517398601 /nfs/dbraw/zinc/39/86/01/517398601.db2.gz LPKZQRLVHNPPDT-OAHLLOKOSA-N 0 3 374.393 2.585 20 5 FFBDHN Cc1c(Br)c(N2CC[C@@]3(C2)CCCN(C)C3)ncc1[N+](=O)[O-] ZINC000549576842 517625613 /nfs/dbraw/zinc/62/56/13/517625613.db2.gz DCFHCFRBFQCFQP-HNNXBMFYSA-N 0 3 369.263 2.983 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](C)[C@@H]1COc2ccccc21 ZINC000542626206 517658113 /nfs/dbraw/zinc/65/81/13/517658113.db2.gz LDCGCEGGHAMQJW-HIFRSBDPSA-N 0 3 355.394 2.996 20 5 FFBDHN CC(C)(CO)[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000563137405 517687209 /nfs/dbraw/zinc/68/72/09/517687209.db2.gz DZYBRXIHBOFZHM-SFHVURJKSA-N 0 3 372.425 2.668 20 5 FFBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCCN(C)Cc1ccco1 ZINC000556882792 517726423 /nfs/dbraw/zinc/72/64/23/517726423.db2.gz DTCLEMLNEIPBHS-HNNXBMFYSA-N 0 3 374.441 2.969 20 5 FFBDHN CCN(C(=O)c1[nH]nc(C)c1[N+](=O)[O-])[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000521477126 517748708 /nfs/dbraw/zinc/74/87/08/517748708.db2.gz SDHYWDXZIUJTIZ-GOEBONIOSA-N 0 3 371.441 2.924 20 5 FFBDHN CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000521477126 517748716 /nfs/dbraw/zinc/74/87/16/517748716.db2.gz SDHYWDXZIUJTIZ-GOEBONIOSA-N 0 3 371.441 2.924 20 5 FFBDHN O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000557024157 517809951 /nfs/dbraw/zinc/80/99/51/517809951.db2.gz QOOAHVUIHKBLIL-OAHLLOKOSA-N 0 3 359.357 2.553 20 5 FFBDHN C[C@@H](CNC[C@@H](O)COc1ccccc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000521862580 517879188 /nfs/dbraw/zinc/87/91/88/517879188.db2.gz FRFRDNZXNNWNBN-DZGCQCFKSA-N 0 3 364.373 2.531 20 5 FFBDHN Cc1ccc([C@@H](CC(=O)OC(C)C)NCCn2ccc([N+](=O)[O-])n2)cc1 ZINC000543061478 517888607 /nfs/dbraw/zinc/88/86/07/517888607.db2.gz XCDSKYRGZPKYSL-MRXNPFEDSA-N 0 3 360.414 2.772 20 5 FFBDHN COc1cc(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000553768746 517893347 /nfs/dbraw/zinc/89/33/47/517893347.db2.gz SZTYJEMKCCNRTC-WOSRLPQWSA-N 0 3 361.442 2.714 20 5 FFBDHN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000543136557 517927111 /nfs/dbraw/zinc/92/71/11/517927111.db2.gz HNVZZXQKYIOJIL-KKVAFCGZSA-N 0 3 372.421 2.659 20 5 FFBDHN COCCSc1ccc([C@H](C)NCCn2ccc([N+](=O)[O-])n2)cc1 ZINC000539306321 517985030 /nfs/dbraw/zinc/98/50/30/517985030.db2.gz RKVZNLIHMYOPNG-ZDUSSCGKSA-N 0 3 350.444 2.881 20 5 FFBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1cnn2ccccc12 ZINC000517047329 517996791 /nfs/dbraw/zinc/99/67/91/517996791.db2.gz WSQBSVGKERAFEP-CYBMUJFWSA-N 0 3 353.382 2.749 20 5 FFBDHN CCN(CC)[C@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)CC(C)C ZINC000550343600 518005070 /nfs/dbraw/zinc/00/50/70/518005070.db2.gz CTDKHIYERWYNJR-AWEZNQCLSA-N 0 3 361.446 2.834 20 5 FFBDHN COc1ccc(CNC[C@@H](O)COc2cc(C)ccc2C)cc1[N+](=O)[O-] ZINC000517186849 518051388 /nfs/dbraw/zinc/05/13/88/518051388.db2.gz IUJYOBJSTBMUBD-MRXNPFEDSA-N 0 3 360.410 2.750 20 5 FFBDHN CN(C)C(=O)COc1cccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000569622802 518209781 /nfs/dbraw/zinc/20/97/81/518209781.db2.gz JFPNLYDBOQVFJX-SFHVURJKSA-N 0 3 369.421 2.839 20 5 FFBDHN CN(C)C(=O)COc1cccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000569622800 518210179 /nfs/dbraw/zinc/21/01/79/518210179.db2.gz JFPNLYDBOQVFJX-GOSISDBHSA-N 0 3 369.421 2.839 20 5 FFBDHN CC(C)Cc1ccc([C@@H](CNC(=O)c2nn(C)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000581390526 518261474 /nfs/dbraw/zinc/26/14/74/518261474.db2.gz RYVNCIPQJLXWJJ-MRXNPFEDSA-N 0 3 373.457 2.560 20 5 FFBDHN COc1cccc(C(=O)N(C)CCCN(C)Cc2ccncc2)c1[N+](=O)[O-] ZINC000569980578 518386354 /nfs/dbraw/zinc/38/63/54/518386354.db2.gz GNZCTGIFPUYMSQ-UHFFFAOYSA-N 0 3 372.425 2.593 20 5 FFBDHN CN1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC12CCCCC2 ZINC000584538668 518388569 /nfs/dbraw/zinc/38/85/69/518388569.db2.gz XJCUOWROEDXMIN-GOSISDBHSA-N 0 3 372.469 2.650 20 5 FFBDHN CCCN1CCC[C@H]1CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000570233626 518508018 /nfs/dbraw/zinc/50/80/18/518508018.db2.gz WMGGJOYAOUQXOA-ROUUACIJSA-N 0 3 357.458 2.882 20 5 FFBDHN CCN(C[C@@H]1CCCN1CC)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000576311166 518529683 /nfs/dbraw/zinc/52/96/83/518529683.db2.gz UXNGGODZYUERSZ-KRWDZBQOSA-N 0 3 361.442 2.891 20 5 FFBDHN CC(C)C[C@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000582137954 518606242 /nfs/dbraw/zinc/60/62/42/518606242.db2.gz NDABLOJDKGMBLD-MSOLQXFVSA-N 0 3 359.474 2.984 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2CCc3ccccc32)cc1 ZINC000582176587 518624221 /nfs/dbraw/zinc/62/42/21/518624221.db2.gz BIDYTMZZSKENJL-HNNXBMFYSA-N 0 3 360.435 2.688 20 5 FFBDHN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCCCN1C1CCCC1 ZINC000586802541 518647187 /nfs/dbraw/zinc/64/71/87/518647187.db2.gz NUOKEEYHQDECJS-INIZCTEOSA-N 0 3 357.414 2.629 20 5 FFBDHN CCOc1ccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])cc1F ZINC000573437781 518663622 /nfs/dbraw/zinc/66/36/22/518663622.db2.gz KMYJYNNIRQYTCL-AWEZNQCLSA-N 0 3 364.373 2.662 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC[C@@H]2SCCc3ccccc32)c1 ZINC000567725715 518677039 /nfs/dbraw/zinc/67/70/39/518677039.db2.gz GQBWNBPQEHFDRY-APWZRJJASA-N 0 3 374.462 2.955 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC[C@H]2SCCc3ccccc32)c1 ZINC000567725718 518677595 /nfs/dbraw/zinc/67/75/95/518677595.db2.gz GQBWNBPQEHFDRY-VQIMIIECSA-N 0 3 374.462 2.955 20 5 FFBDHN CC[C@@H](C)N[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000588766089 518824403 /nfs/dbraw/zinc/82/44/03/518824403.db2.gz FHGQHOUTKHLRPW-ZIAGYGMSSA-N 0 3 361.398 2.812 20 5 FFBDHN COc1ccc(C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000568011345 518830320 /nfs/dbraw/zinc/83/03/20/518830320.db2.gz KRGYYRBKQUGOSU-FQEVSTJZSA-N 0 3 369.421 2.998 20 5 FFBDHN COc1cc(CN[C@H]2CC[C@](O)(C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000589938998 519109205 /nfs/dbraw/zinc/10/92/05/519109205.db2.gz LSHZEVYOQMWUPW-IINYFYTJSA-N 0 3 364.320 2.548 20 5 FFBDHN CC(C)(C(=O)NC[C@H]1NCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000566101974 519299727 /nfs/dbraw/zinc/29/97/27/519299727.db2.gz BKPJOVWQAJEOGF-GOSISDBHSA-N 0 3 353.422 2.876 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC(C)(C)OCC1(C)C ZINC000591014734 519476528 /nfs/dbraw/zinc/47/65/28/519476528.db2.gz ITIZZXUZISOPIN-UHFFFAOYSA-N 0 3 365.430 2.821 20 5 FFBDHN Cc1ccccc1O[C@@H](C)CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000572393399 519593422 /nfs/dbraw/zinc/59/34/22/519593422.db2.gz IHGIGFIKDDGNHM-JKSUJKDBSA-N 0 3 360.410 2.700 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](O)[C@@H]1CCc1ccccc1 ZINC000602851525 519923849 /nfs/dbraw/zinc/92/38/49/519923849.db2.gz LOIRZUISEHHLNW-ROUUACIJSA-N 0 3 358.442 2.558 20 5 FFBDHN CN1CCN(CC2(C)CCN(Cc3c(F)cccc3[N+](=O)[O-])CC2)CC1 ZINC000612535873 520008177 /nfs/dbraw/zinc/00/81/77/520008177.db2.gz PXNRHKRXNOPWMZ-UHFFFAOYSA-N 0 3 364.465 2.583 20 5 FFBDHN O=[N+]([O-])c1ccc(NC2CCN([C@@H]3CCOC3)CC2)c(OC(F)F)c1 ZINC000612789642 520148023 /nfs/dbraw/zinc/14/80/23/520148023.db2.gz VEZAFUHKHBLNEQ-CYBMUJFWSA-N 0 3 357.357 2.861 20 5 FFBDHN COc1cc(CNC[C@@H]2C[C@H](c3ccccc3)CO2)c([N+](=O)[O-])cc1O ZINC000594974625 520236585 /nfs/dbraw/zinc/23/65/85/520236585.db2.gz CCLIKAXGQIVJMW-HOTGVXAUSA-N 0 3 358.394 2.971 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](C(C)C)C1(CO)CC=CC1 ZINC000592178251 520248140 /nfs/dbraw/zinc/24/81/40/520248140.db2.gz PRRLDKUWBLCEFE-SFHVURJKSA-N 0 3 361.442 2.785 20 5 FFBDHN CN(CCCCN1CCCCC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000603417342 520256813 /nfs/dbraw/zinc/25/68/13/520256813.db2.gz GBGBVEMOQBHQNQ-UHFFFAOYSA-N 0 3 369.487 2.623 20 5 FFBDHN O=C(NC[C@@H]1CCN1C1CCCC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000600469787 520279990 /nfs/dbraw/zinc/27/99/90/520279990.db2.gz KFQSEJDOZJAHIA-INIZCTEOSA-N 0 3 369.425 2.527 20 5 FFBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(c1ccccc1)C1CCN(C)CC1 ZINC000609566714 520357905 /nfs/dbraw/zinc/35/79/05/520357905.db2.gz GJNZTCZSMYBEMP-UHFFFAOYSA-N 0 3 371.441 2.617 20 5 FFBDHN C[C@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H](C)C1 ZINC000603895040 520393987 /nfs/dbraw/zinc/39/39/87/520393987.db2.gz JAHANGZZVCXIMP-HUUCEWRRSA-N 0 3 371.441 2.631 20 5 FFBDHN CN(C[C@H]1CCCN(C)C1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000609664480 520399844 /nfs/dbraw/zinc/39/98/44/520399844.db2.gz JJOQGSMHQCKCTC-INIZCTEOSA-N 0 3 374.485 2.611 20 5 FFBDHN COc1cccc([C@@H](CNCCC(=O)Nc2ccccc2[N+](=O)[O-])OC)c1 ZINC000600747465 520444932 /nfs/dbraw/zinc/44/49/32/520444932.db2.gz XONIATSQXMWPRY-GOSISDBHSA-N 0 3 373.409 2.909 20 5 FFBDHN CCCN1CC[C@@H](NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000598341600 520564663 /nfs/dbraw/zinc/56/46/63/520564663.db2.gz DLQOANIIEYDNCN-DGCLKSJQSA-N 0 3 355.822 2.616 20 5 FFBDHN Cn1cc(C[C@H]2CCC[C@@H]2NCc2nc3cc([N+](=O)[O-])ccc3o2)cn1 ZINC000595772432 520713692 /nfs/dbraw/zinc/71/36/92/520713692.db2.gz SSIRWKCVNDLLFC-HIFRSBDPSA-N 0 3 355.398 2.971 20 5 FFBDHN Cc1cc(S(=O)(=O)N2CCC(C)(N3CCCC3)CC2)c([N+](=O)[O-])s1 ZINC000601497481 520814172 /nfs/dbraw/zinc/81/41/72/520814172.db2.gz YENYBVNGXWBAHV-UHFFFAOYSA-N 0 3 373.500 2.604 20 5 FFBDHN COc1ccc(C(=O)Nc2ccc(CN(C)C)cc2OC)cc1[N+](=O)[O-] ZINC000601619322 520867568 /nfs/dbraw/zinc/86/75/68/520867568.db2.gz ASPIEFXCSIPXGN-UHFFFAOYSA-N 0 3 359.382 2.926 20 5 FFBDHN CC(C)[C@H](O)[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000596065712 520889959 /nfs/dbraw/zinc/88/99/59/520889959.db2.gz KVGJZYRPBWMKDO-IHPCNDPISA-N 0 3 374.437 2.682 20 5 FFBDHN CC(C)[C@H](O)[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000596065711 520890019 /nfs/dbraw/zinc/89/00/19/520890019.db2.gz KVGJZYRPBWMKDO-HOJAQTOUSA-N 0 3 374.437 2.682 20 5 FFBDHN CN1CCC(n2cc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])cn2)CC1 ZINC000601777586 520946839 /nfs/dbraw/zinc/94/68/39/520946839.db2.gz UCWFJPWYKNKPBW-UHFFFAOYSA-N 0 3 363.805 2.964 20 5 FFBDHN COC(=O)C1CCN(CCCNc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599019420 520984214 /nfs/dbraw/zinc/98/42/14/520984214.db2.gz JYFUKCARPDGQNV-UHFFFAOYSA-N 0 3 372.425 2.830 20 5 FFBDHN Cn1ncc(C(F)(F)F)c1CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000599061839 521006599 /nfs/dbraw/zinc/00/65/99/521006599.db2.gz SJTORSDGOPTBLM-NWDGAFQWSA-N 0 3 372.351 2.817 20 5 FFBDHN COc1cnccc1N1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599071600 521014393 /nfs/dbraw/zinc/01/43/93/521014393.db2.gz ZKMJLIUOJQWZEC-UHFFFAOYSA-N 0 3 365.393 2.873 20 5 FFBDHN CC[C@@H](NC[C@@H]1CN(Cc2ccncc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000599088374 521024437 /nfs/dbraw/zinc/02/44/37/521024437.db2.gz QMJZTOHMDLAVSO-WOJBJXKFSA-N 0 3 370.453 2.932 20 5 FFBDHN Cc1ccc([C@@H](C)NC[C@H]2CN(Cc3ccncc3)CCO2)cc1[N+](=O)[O-] ZINC000599086953 521024512 /nfs/dbraw/zinc/02/45/12/521024512.db2.gz CXTKXNATZUHIOF-APWZRJJASA-N 0 3 370.453 2.850 20 5 FFBDHN Cc1cnc(N2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000593495818 521031738 /nfs/dbraw/zinc/03/17/38/521031738.db2.gz JWBDBRXAJQZSQV-OALUTQOASA-N 0 3 368.437 2.778 20 5 FFBDHN Cc1c(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000596630230 521176183 /nfs/dbraw/zinc/17/61/83/521176183.db2.gz HHWMJLNDWBEWPF-QWRGUYRKSA-N 0 3 362.304 2.826 20 5 FFBDHN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000611488173 521183887 /nfs/dbraw/zinc/18/38/87/521183887.db2.gz YXFKHOCDXWRPEW-CQSZACIVSA-N 0 3 373.461 2.874 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H](c2ccccn2)C2CCC2)c1 ZINC000599569132 521304779 /nfs/dbraw/zinc/30/47/79/521304779.db2.gz LHNJNLVIXDWIPH-APWZRJJASA-N 0 3 357.410 2.861 20 5 FFBDHN CCOc1cc(CN2CCC(C)(N3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000599623795 521339424 /nfs/dbraw/zinc/33/94/24/521339424.db2.gz XIBNCCABDFGWTP-UHFFFAOYSA-N 0 3 363.458 2.680 20 5 FFBDHN CCC1(N2CCOCC2)CCN(Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000599670452 521385962 /nfs/dbraw/zinc/38/59/62/521385962.db2.gz WEBRJDSAZVPDOM-UHFFFAOYSA-N 0 3 363.458 2.680 20 5 FFBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000594198702 521464740 /nfs/dbraw/zinc/46/47/40/521464740.db2.gz VCPGVBPGRAHVAS-JKSUJKDBSA-N 0 3 369.425 2.527 20 5 FFBDHN CCCN(C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)[C@@H]1CCN(C)C1 ZINC000597090532 521496781 /nfs/dbraw/zinc/49/67/81/521496781.db2.gz NCSWIQWHMLKAKS-LLVKDONJSA-N 0 3 355.826 2.778 20 5 FFBDHN Nc1c(NC(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc(Cl)cc1[N+](=O)[O-] ZINC000597091968 521497866 /nfs/dbraw/zinc/49/78/66/521497866.db2.gz HULQDHKBQILLKA-DGCLKSJQSA-N 0 3 367.837 2.969 20 5 FFBDHN Nc1c(NC(=O)NCCN2CCCCCC2)cc(Cl)cc1[N+](=O)[O-] ZINC000597094780 521501106 /nfs/dbraw/zinc/50/11/06/521501106.db2.gz RNMQOFFKQBHCJD-UHFFFAOYSA-N 0 3 355.826 2.828 20 5 FFBDHN CN1CC[C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])c4ccncc34)[C@@H]2C1 ZINC000599832688 521501905 /nfs/dbraw/zinc/50/19/05/521501905.db2.gz IGUABJJKGAPLAH-YVEFUNNKSA-N 0 3 355.398 2.701 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](OCCCc2ccccc2)C1 ZINC000602781279 521529418 /nfs/dbraw/zinc/52/94/18/521529418.db2.gz SCMJTTQWZIMUEI-GOSISDBHSA-N 0 3 358.442 2.823 20 5 FFBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594284313 521537207 /nfs/dbraw/zinc/53/72/07/521537207.db2.gz VQXCHRPTSIPMBW-SJLPKXTDSA-N 0 3 360.458 2.796 20 5 FFBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H](Cn3cnc4ccccc43)C2)c1 ZINC000602810740 521547602 /nfs/dbraw/zinc/54/76/02/521547602.db2.gz IJXBOEHPEOWMGM-HNNXBMFYSA-N 0 3 354.414 2.553 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000602824389 521553774 /nfs/dbraw/zinc/55/37/74/521553774.db2.gz BNSBGVQIDNINCI-UHFFFAOYSA-N 0 3 365.384 2.590 20 5 FFBDHN O=C1CC[C@H]2CN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC[C@H]2N1 ZINC000597204736 521573788 /nfs/dbraw/zinc/57/37/88/521573788.db2.gz FTIYXYURHZAXIG-XJKSGUPXSA-N 0 3 355.394 2.955 20 5 FFBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)CN(C)Cc1ccccc1 ZINC000619785176 521872343 /nfs/dbraw/zinc/87/23/43/521872343.db2.gz KINPGUSMGVLRKO-HXUWFJFHSA-N 0 3 357.454 2.562 20 5 FFBDHN C[C@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824591584 608467641 /nfs/dbraw/zinc/46/76/41/608467641.db2.gz IXXQJWXBNUJVJO-ZDUSSCGKSA-N 0 3 368.397 2.895 20 5 FFBDHN C[C@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824591584 608467643 /nfs/dbraw/zinc/46/76/43/608467643.db2.gz IXXQJWXBNUJVJO-ZDUSSCGKSA-N 0 3 368.397 2.895 20 5 FFBDHN CC[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000825141838 608552192 /nfs/dbraw/zinc/55/21/92/608552192.db2.gz QOBNTZGDLGUZNO-IAGOWNOFSA-N 0 3 368.397 2.549 20 5 FFBDHN Cc1cc([N+](=O)[O-])cnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164897255 721512023 /nfs/dbraw/zinc/51/20/23/721512023.db2.gz FNQHHVCHYADCEU-FUHWJXTLSA-N 0 3 372.400 2.779 20 5 FFBDHN C[C@@H](CNC(=O)OC(C)(C)C)N(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000171954691 729016346 /nfs/dbraw/zinc/01/63/46/729016346.db2.gz LDGZSEPNSPZCPH-ZDUSSCGKSA-N 0 3 353.419 2.819 20 5 FFBDHN O=[N+]([O-])c1ccc(Cl)cc1CN1CCC(CN2CCOCC2)CC1 ZINC000174844171 729081071 /nfs/dbraw/zinc/08/10/71/729081071.db2.gz POXLZQZKUGPVPF-UHFFFAOYSA-N 0 3 353.850 2.792 20 5 FFBDHN CCO[C@H](C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-])[C@H]1CCOC1 ZINC000870455156 731516560 /nfs/dbraw/zinc/51/65/60/731516560.db2.gz WGFCZJSXLXMJLG-KNPMLCFXSA-N 0 3 355.362 2.517 20 5 FFBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000874825259 732104120 /nfs/dbraw/zinc/10/41/20/732104120.db2.gz ITZLMAKJJMOMKW-KBPBESRZSA-N 0 3 357.332 2.922 20 5 FFBDHN CCN(CC)C[C@H](C)Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000731991016 734711214 /nfs/dbraw/zinc/71/12/14/734711214.db2.gz NBXXFHPLZQLKPI-JTQLQIEISA-N 0 3 365.402 2.733 20 5 FFBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000897220408 735207856 /nfs/dbraw/zinc/20/78/56/735207856.db2.gz ASLDRYCVEADEEZ-STQMWFEESA-N 0 3 359.348 2.649 20 5 FFBDHN CCN(CC)[C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000752234007 735969543 /nfs/dbraw/zinc/96/95/43/735969543.db2.gz BSNWZYDUNCFUHM-LLVKDONJSA-N 0 3 363.867 2.565 20 5 FFBDHN Cc1c(Br)cc(C(=O)NCCN2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000753094503 736037112 /nfs/dbraw/zinc/03/71/12/736037112.db2.gz DLOFZYXKEXBNPK-SNVBAGLBSA-N 0 3 370.247 2.880 20 5 FFBDHN COC(=O)C[C@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000754535989 736169412 /nfs/dbraw/zinc/16/94/12/736169412.db2.gz BGSNMZZBMRFVCV-OTYXRUKQSA-N 0 3 369.805 2.507 20 5 FFBDHN CCN(C[C@H]1CCOC1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000764197670 737000970 /nfs/dbraw/zinc/00/09/70/737000970.db2.gz PQEPPNYUUJSXAO-NWDGAFQWSA-N 0 3 355.822 2.934 20 5 FFBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCC1CCS(=O)(=O)CC1 ZINC000811485640 741528528 /nfs/dbraw/zinc/52/85/28/741528528.db2.gz VAONYPQKXYVQQR-UHFFFAOYSA-N 0 3 367.254 2.816 20 5 FFBDHN COc1cc(CNC[C@@H]2CCC[C@@H](C(F)(F)F)O2)c([N+](=O)[O-])cc1O ZINC000922694175 738187042 /nfs/dbraw/zinc/18/70/42/738187042.db2.gz KCPLPIMIMONTAI-HZMBPMFUSA-N 0 3 364.320 2.899 20 5 FFBDHN CN(C(=O)CCc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000932547519 739467743 /nfs/dbraw/zinc/46/77/43/739467743.db2.gz NAKLZJDWDMWEHF-CYBMUJFWSA-N 0 3 351.834 2.876 20 5 FFBDHN COC(=O)C[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)(C)C ZINC000934031441 739723292 /nfs/dbraw/zinc/72/32/92/739723292.db2.gz WJPYMQPBJVEANY-AWEZNQCLSA-N 0 3 352.387 2.529 20 5 FFBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCN(C/C=C\c2ccc(Cl)cc2)CC1 ZINC000981136906 741137490 /nfs/dbraw/zinc/13/74/90/741137490.db2.gz LIKWDOAHYGCRCF-YWOMLXPBSA-N 0 3 363.845 2.553 20 5 FFBDHN CCOc1c(Br)cc(C(=O)OCC(C)[N+](=O)[O-])cc1OC ZINC000813103944 741677353 /nfs/dbraw/zinc/67/73/53/741677353.db2.gz VCAVOKDJTGJOHU-MRVPVSSYSA-N 0 3 362.176 2.678 20 5 FFBDHN Cc1nc(COc2ccc(F)cc2)sc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813106566 741677512 /nfs/dbraw/zinc/67/75/12/741677512.db2.gz DSMWBSCAMCGWGJ-VIFPVBQESA-N 0 3 354.359 2.992 20 5 FFBDHN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)OCC(C)[N+](=O)[O-])c12 ZINC000813109182 741677865 /nfs/dbraw/zinc/67/78/65/741677865.db2.gz GPYWJPJYVHALTK-SECBINFHSA-N 0 3 360.395 2.827 20 5 FFBDHN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813113090 741678175 /nfs/dbraw/zinc/67/81/75/741678175.db2.gz XFUWAWOQKNHSCM-SNVBAGLBSA-N 0 3 351.790 2.893 20 5 FFBDHN C[C@@H](NCCNC(=O)c1ccc(Cl)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815569057 741945751 /nfs/dbraw/zinc/94/57/51/741945751.db2.gz FHXAJUYWDGVOSJ-LLVKDONJSA-N 0 3 362.817 2.911 20 5 FFBDHN CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(Cc2sccc2Cl)CC1 ZINC001045436737 743273932 /nfs/dbraw/zinc/27/39/32/743273932.db2.gz VTDWHTYVTJIXAA-ZYHUDNBSSA-N 0 3 357.863 2.537 20 5 FFBDHN COC(=O)[C@@H]1CCCCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000830659369 745399582 /nfs/dbraw/zinc/39/95/82/745399582.db2.gz RXZHEMJOZYUFHB-KGLIPLIRSA-N 0 3 351.359 2.715 20 5 FFBDHN CC(C)[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CCN1 ZINC000843467543 747840755 /nfs/dbraw/zinc/84/07/55/747840755.db2.gz GTQYARCXYXCHDT-LLVKDONJSA-N 0 3 374.210 2.566 20 5 FFBDHN COc1ccc(NC(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)cc1[N+](=O)[O-] ZINC000843486621 747844252 /nfs/dbraw/zinc/84/42/52/747844252.db2.gz XMKAOVRAZXMCKK-GFCCVEGCSA-N 0 3 364.789 2.989 20 5 FFBDHN CCN(CC)C(=O)CCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845875916 748342046 /nfs/dbraw/zinc/34/20/46/748342046.db2.gz LUOGXQLMWFFINC-SJKOYZFVSA-N 0 3 354.378 2.724 20 5 FFBDHN COCc1ncsc1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845881489 748343819 /nfs/dbraw/zinc/34/38/19/748343819.db2.gz LHZIHUZVWZXUOZ-RNCFNFMXSA-N 0 3 354.359 2.992 20 5 FFBDHN CCOc1ccc([C@@H](C)NCC[S@](=O)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000850495385 749375498 /nfs/dbraw/zinc/37/54/98/749375498.db2.gz CQXSWUIHYOFJMZ-ZZDSUILFSA-N 0 3 368.377 2.955 20 5 FFBDHN COc1c(O)ccc(CNC[C@@]2(C)OCCc3ccccc32)c1[N+](=O)[O-] ZINC000896021614 971161985 /nfs/dbraw/zinc/16/19/85/971161985.db2.gz LWORCURUFIXMBC-LJQANCHMSA-N 0 3 358.394 2.887 20 5 FFBDHN NC(=O)c1ccccc1N1CC[C@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783627702 979348706 /nfs/dbraw/zinc/34/87/06/979348706.db2.gz HLYOKGTUKKFZOG-ZDUSSCGKSA-N 0 3 374.828 2.716 20 5 FFBDHN COc1cccc([C@@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CCN2)c1 ZINC000879524838 1015574562 /nfs/dbraw/zinc/57/45/62/1015574562.db2.gz QFNMMOFMTKWDPR-SFHVURJKSA-N 0 3 367.409 2.626 20 5 FFBDHN Cc1ccc(NCCCNC(=O)C[C@@H](N)c2ccccc2)c([N+](=O)[O-])c1 ZINC000237667256 991300071 /nfs/dbraw/zinc/30/00/71/991300071.db2.gz WSOBKYIPMLRHFU-MRXNPFEDSA-N 0 3 356.426 2.912 20 5 FFBDHN CCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000072500987 993123225 /nfs/dbraw/zinc/12/32/25/993123225.db2.gz JTRLBKAOFYWLPU-MRXNPFEDSA-N 0 3 360.458 2.799 20 5 FFBDHN Cc1ccc(NCCCNC(=O)CN(C)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC001147337650 1000873544 /nfs/dbraw/zinc/87/35/44/1000873544.db2.gz UHKQAUJBBGLPBI-UHFFFAOYSA-N 0 3 350.463 2.799 20 5 FFBDHN CN(C)[C@@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)c1ccccc1 ZINC000771499548 1001130201 /nfs/dbraw/zinc/13/02/01/1001130201.db2.gz AQRBMINGQGTCQG-HNNXBMFYSA-N 0 3 371.422 2.632 20 5 FFBDHN CCN1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N)cc2)CC1 ZINC000786702315 1001617847 /nfs/dbraw/zinc/61/78/47/1001617847.db2.gz ILNMEKNEPMIHBQ-UHFFFAOYSA-N 0 3 369.425 2.571 20 5 FFBDHN COC(=O)[C@H](CCc1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001170175068 1003031169 /nfs/dbraw/zinc/03/11/69/1003031169.db2.gz LIKCPTYXZNSKOV-INIZCTEOSA-N 0 3 355.394 2.784 20 5 FFBDHN CCC(=O)N(C)C1CCN([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170354839 1003122766 /nfs/dbraw/zinc/12/27/66/1003122766.db2.gz QBUUHMQDBZCRSD-CQSZACIVSA-N 0 3 363.458 2.867 20 5 FFBDHN CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000805765708 1004138338 /nfs/dbraw/zinc/13/83/38/1004138338.db2.gz XYLOFYYHJHOZNZ-AWEZNQCLSA-N 0 3 367.450 2.561 20 5 FFBDHN COC(=O)N1CCC[C@@H]([C@@H](C)NCc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000775819789 1004485316 /nfs/dbraw/zinc/48/53/16/1004485316.db2.gz QSYLQFCYWVUOMW-VXGBXAGGSA-N 0 3 369.393 2.699 20 5 FFBDHN CNC(=O)c1ccc(CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000776574796 1005953860 /nfs/dbraw/zinc/95/38/60/1005953860.db2.gz LQRLWUXOZMQJAL-LJQANCHMSA-N 0 3 369.421 2.652 20 5 FFBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@@H](c3nnc4ccccn43)C2)cc1 ZINC000776584279 1005954800 /nfs/dbraw/zinc/95/48/00/1005954800.db2.gz KAZOSAJAJKXDFE-NVXWUHKLSA-N 0 3 367.409 2.551 20 5 FFBDHN Cc1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000813828102 1006047085 /nfs/dbraw/zinc/04/70/85/1006047085.db2.gz ZOUUWSJRDVILMR-WMLDXEAASA-N 0 3 368.437 2.878 20 5 FFBDHN CCN1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000110991793 1006247038 /nfs/dbraw/zinc/24/70/38/1006247038.db2.gz UJGWOKUOEMPRBL-ZDUSSCGKSA-N 0 3 364.402 2.724 20 5 FFBDHN C[C@H](NC[C@H](O)COc1ccc(F)c(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815577299 1006693746 /nfs/dbraw/zinc/69/37/46/1006693746.db2.gz MFMRYSXTQUHTOG-JQWIXIFHSA-N 0 3 367.352 2.546 20 5 FFBDHN CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000856412861 1007813299 /nfs/dbraw/zinc/81/32/99/1007813299.db2.gz YUKYNUSVQRBPOO-IEODJVTJSA-N 0 3 373.453 2.710 20 5 FFBDHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000856412860 1007813961 /nfs/dbraw/zinc/81/39/61/1007813961.db2.gz YUKYNUSVQRBPOO-HKMNZKMDSA-N 0 3 373.453 2.710 20 5 FFBDHN CC(C)N(C)Cc1cc(O[C@H]2CCN(c3cccnc3[N+](=O)[O-])C2)ccn1 ZINC000856536412 1007875956 /nfs/dbraw/zinc/87/59/56/1007875956.db2.gz SQDZVGAHVYHXCF-KRWDZBQOSA-N 0 3 371.441 2.883 20 5 FFBDHN CCCNC(=O)c1cccc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000818960045 1007978914 /nfs/dbraw/zinc/97/89/14/1007978914.db2.gz ADUKEAKIDURKDR-SFHVURJKSA-N 0 3 357.410 2.558 20 5 FFBDHN Cc1ccc(C2=NO[C@@H](CNC[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000819292665 1008084386 /nfs/dbraw/zinc/08/43/86/1008084386.db2.gz VMUUGWWRGDZSJD-MJGOQNOKSA-N 0 3 355.394 2.719 20 5 FFBDHN CCN1CCN(c2ccc(NC[C@H](O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000819396015 1008114609 /nfs/dbraw/zinc/11/46/09/1008114609.db2.gz VWIMMTPMDGRPKU-FQEVSTJZSA-N 0 3 370.453 2.882 20 5 FFBDHN Cc1ccc([C@@H](C)NC[C@H](O)CCNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000794464415 1010044509 /nfs/dbraw/zinc/04/45/09/1010044509.db2.gz PFYYSIPXTRKYMR-UKRRQHHQSA-N 0 3 367.446 2.830 20 5 FFBDHN O=[N+]([O-])c1cccnc1N1CCN(C[C@@H]2CCc3ccccc3C2)CC1 ZINC001182204334 1010424257 /nfs/dbraw/zinc/42/42/57/1010424257.db2.gz PPJAUQRHGXLUTC-MRXNPFEDSA-N 0 3 352.438 2.917 20 5 FFBDHN Cc1ccnc(N2CCN([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)n1 ZINC001172911410 1012122216 /nfs/dbraw/zinc/12/22/16/1012122216.db2.gz BHLBSRFLDDDBSX-SFHVURJKSA-N 0 3 367.453 2.763 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCN(CC3CC3)CC2)c1F ZINC001173190968 1012331781 /nfs/dbraw/zinc/33/17/81/1012331781.db2.gz YORMTAHIBDCBIW-CYBMUJFWSA-N 0 3 351.422 2.701 20 5 FFBDHN Cn1nc(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1C1CC1 ZINC000927112914 1018373574 /nfs/dbraw/zinc/37/35/74/1018373574.db2.gz TWBIWVLDUWJOFN-UHFFFAOYSA-N 0 3 355.442 2.964 20 5 FFBDHN CN(C)CCN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000034929234 1019023868 /nfs/dbraw/zinc/02/38/68/1019023868.db2.gz CMQMWDFEDNXFFM-UHFFFAOYSA-N 0 3 372.381 2.707 20 5 FFBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@@](CO)(c2ccccc2)C1 ZINC000801578485 1019133657 /nfs/dbraw/zinc/13/36/57/1019133657.db2.gz GXDUXKXILDJICP-HXUWFJFHSA-N 0 3 356.422 3.000 20 5 FFBDHN CN(C)CCN(CC1CCCCC1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801836808 1019434195 /nfs/dbraw/zinc/43/41/95/1019434195.db2.gz RKBDJLQPQSOKKY-UHFFFAOYSA-N 0 3 366.437 2.900 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CN1Cc1ccccc1 ZINC000801921033 1019513280 /nfs/dbraw/zinc/51/32/80/1019513280.db2.gz WONIHUNTUVTPNN-GXTWGEPZSA-N 0 3 372.400 2.709 20 5 FFBDHN CN(Cc1ccc(C(=O)NC2CC2)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749670795 1021018818 /nfs/dbraw/zinc/01/88/18/1021018818.db2.gz LNXPNXCULRMHFW-IBGZPJMESA-N 0 3 369.421 2.652 20 5 FFBDHN O=[N+]([O-])c1cnc(-n2nc(C(F)(F)F)c3c2CCNC3)c2ccccc21 ZINC001154849679 1028483015 /nfs/dbraw/zinc/48/30/15/1028483015.db2.gz RSXQGKMCDQXKGQ-UHFFFAOYSA-N 0 3 363.299 2.993 20 5 FFBDHN O=[N+]([O-])c1c(Cl)nc(Cl)nc1NC[C@@H]1Cc2ccccc2CN1 ZINC001163272429 1028866846 /nfs/dbraw/zinc/86/68/46/1028866846.db2.gz QQAHNGQQTLHWTE-JTQLQIEISA-N 0 3 354.197 2.818 20 5 FFBDHN NCc1nn(-c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])c2ccccc12 ZINC001156855322 1029378789 /nfs/dbraw/zinc/37/87/89/1029378789.db2.gz CWKKUKVRWLWQLQ-UHFFFAOYSA-N 0 3 354.757 2.989 20 5 FFBDHN CN(C)/C=C/c1cc(N2CCN[C@H](c3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001157765396 1029657916 /nfs/dbraw/zinc/65/79/16/1029657916.db2.gz PREIKSSMFSZRCO-VMSUTVGLSA-N 0 3 353.426 2.673 20 5 FFBDHN COC(=O)c1ccnc(N(C2CCCC2)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC001158487560 1029840083 /nfs/dbraw/zinc/84/00/83/1029840083.db2.gz HLANWIZIHGQRHZ-UHFFFAOYSA-N 0 3 362.430 2.620 20 5 FFBDHN C[C@@H](N[C@H](COC(N)=O)Cc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840863472 1029895944 /nfs/dbraw/zinc/89/59/44/1029895944.db2.gz JJYASAIMZDCOIL-DOMZBBRYSA-N 0 3 358.398 2.948 20 5 FFBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001142303917 1030289499 /nfs/dbraw/zinc/28/94/99/1030289499.db2.gz WQFDCPSJKCYXSA-ZYHUDNBSSA-N 0 3 363.805 2.537 20 5 FFBDHN CN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C[C@H]1CC=CCC1 ZINC000784394515 1030600754 /nfs/dbraw/zinc/60/07/54/1030600754.db2.gz TXJOLXLOTXSFPA-KRWDZBQOSA-N 0 3 372.469 2.532 20 5 FFBDHN C[C@H]1CC2(CN1Cn1cnc(-c3ccc([N+](=O)[O-])cc3)n1)CCOCC2 ZINC000842640072 1030869540 /nfs/dbraw/zinc/86/95/40/1030869540.db2.gz ULDRCBYASZDQKW-AWEZNQCLSA-N 0 3 357.414 2.702 20 5 FFBDHN Cc1ccc(CN2CC[C@H](NC(=O)Nc3ccc(N)c([N+](=O)[O-])c3)C2)cc1 ZINC001219452465 1033649880 /nfs/dbraw/zinc/64/98/80/1033649880.db2.gz OXIGGLIXGPEQTI-INIZCTEOSA-N 0 3 369.425 2.881 20 5 FFBDHN CN(C)c1cc(F)c(C(=O)NC[C@@H]2CCCCN2C2CC2)cc1[N+](=O)[O-] ZINC000830529803 1033659188 /nfs/dbraw/zinc/65/91/88/1033659188.db2.gz POCYDAPYLGDUPW-ZDUSSCGKSA-N 0 3 364.421 2.547 20 5 FFBDHN CN(C)c1cc(F)c(C(=O)NCCN2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000830584648 1033697467 /nfs/dbraw/zinc/69/74/67/1033697467.db2.gz VVWGEJTXUWYYFH-UHFFFAOYSA-N 0 3 366.437 2.652 20 5 FFBDHN NC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CCCN(Cc2ccccc2)C1 ZINC001226164039 1034553728 /nfs/dbraw/zinc/55/37/28/1034553728.db2.gz GFXBNOKTICKHIF-INIZCTEOSA-N 0 3 355.394 2.737 20 5 FFBDHN Cc1c(C(=O)N[C@@H]2CCCN(C(C)C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000832297047 1034709710 /nfs/dbraw/zinc/70/97/10/1034709710.db2.gz POFJLMHQVZDQRR-CYBMUJFWSA-N 0 3 364.402 2.722 20 5 FFBDHN COC(=O)CO[C@H]1CCN(Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232227707 1035505041 /nfs/dbraw/zinc/50/50/41/1035505041.db2.gz MEGREGVGZSBBNZ-KRWDZBQOSA-N 0 3 351.406 2.547 20 5 FFBDHN CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3cc([N+](=O)[O-])cc4cccnc43)C[C@H]1N2C ZINC001229345804 1036623653 /nfs/dbraw/zinc/62/36/53/1036623653.db2.gz HZWWCFHUTMDGQA-QMCVQRASSA-N 0 3 371.393 2.689 20 5 FFBDHN CCN1CC[C@H](Oc2ccc(I)cc2[N+](=O)[O-])C1 ZINC001229939371 1036990892 /nfs/dbraw/zinc/99/08/92/1036990892.db2.gz BNPSHUBHWOSKDI-JTQLQIEISA-N 0 3 362.167 2.672 20 5 FFBDHN CCOC(=O)Cc1ccc([N+](=O)[O-])c(O[C@H]2CCCN(C(C)C)C2)c1 ZINC001234411410 1037026777 /nfs/dbraw/zinc/02/67/77/1037026777.db2.gz SLSKPWDKLNVWJQ-HNNXBMFYSA-N 0 3 350.415 2.952 20 5 FFBDHN N[C@@]1(C(F)(F)F)CCN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001246570370 1039402522 /nfs/dbraw/zinc/40/25/22/1039402522.db2.gz POZCQNXWQLIANF-HNNXBMFYSA-N 0 3 358.364 2.529 20 5 FFBDHN CCOC(=O)[C@@]12C[C@@H]1CCN2C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254474537 1040738760 /nfs/dbraw/zinc/73/87/60/1040738760.db2.gz RKIQYCOSYASVOW-IFXJQAMLSA-N 0 3 359.426 2.591 20 5 FFBDHN CCOC(=O)[C@]12C[C@H]1CCN2C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254474538 1040740296 /nfs/dbraw/zinc/74/02/96/1040740296.db2.gz RKIQYCOSYASVOW-KUHUBIRLSA-N 0 3 359.426 2.591 20 5 FFBDHN CN1CCCC[C@@H]1CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001313376429 1044338638 /nfs/dbraw/zinc/33/86/38/1044338638.db2.gz PORJMMRTUKBVMV-FUHWJXTLSA-N 0 3 360.458 2.968 20 5 FFBDHN CO[C@@]1(C)C[C@@H](NCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1(C)C ZINC001324502111 1046068911 /nfs/dbraw/zinc/06/89/11/1046068911.db2.gz GEBFGUZLXARVFD-CJNGLKHVSA-N 0 3 355.822 2.980 20 5 FFBDHN C[C@@H]1CCCN(CCNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001290892613 1048485805 /nfs/dbraw/zinc/48/58/05/1048485805.db2.gz ZSOBMVKEFKDHSV-CYBMUJFWSA-N 0 3 356.426 2.792 20 5 FFBDHN COC(=O)c1ccc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])o1 ZINC001343838202 1052445639 /nfs/dbraw/zinc/44/56/39/1052445639.db2.gz OSIAHFAWWABAOM-XPTSAGLGSA-N 0 3 351.286 2.769 20 5 FFBDHN COc1ccc([C@@H](CN(C)C)NC[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001335414556 1053345586 /nfs/dbraw/zinc/34/55/86/1053345586.db2.gz YUXPQRAPGUFFDG-RTBURBONSA-N 0 3 359.426 2.529 20 5 FFBDHN O=C(NC[C@@H]1Cc2ccccc2CN1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001354571192 1059182015 /nfs/dbraw/zinc/18/20/15/1059182015.db2.gz UVBYSZVNDHVDPK-UHOSZYNNSA-N 0 3 351.406 2.529 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCOC12CCCCC2 ZINC001460892255 1061141489 /nfs/dbraw/zinc/14/14/89/1061141489.db2.gz UKXUYAQDQFGDPR-INIZCTEOSA-N 0 3 363.414 2.623 20 5 FFBDHN CN(CCNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC001526656349 1061205343 /nfs/dbraw/zinc/20/53/43/1061205343.db2.gz PZENGRXWGLQVCU-OALUTQOASA-N 0 3 353.422 2.947 20 5 FFBDHN Nc1c(NC(=O)NC[C@@H]2CCCCN2C2CC2)cc(Cl)cc1[N+](=O)[O-] ZINC001476915806 1061509670 /nfs/dbraw/zinc/50/96/70/1061509670.db2.gz CFHWJWURBNQMOL-LBPRGKRZSA-N 0 3 367.837 2.969 20 5 FFBDHN CN(C)[C@H](CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC001440670852 1063331357 /nfs/dbraw/zinc/33/13/57/1063331357.db2.gz CRZZNQCNHZDJAL-SFHVURJKSA-N 0 3 373.428 2.956 20 5 FFBDHN C[C@H]1NCCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)[C@@H]1C ZINC001576893248 1078284642 /nfs/dbraw/zinc/28/46/42/1078284642.db2.gz FEPLVHKWIHDOPK-RNFRBKRXSA-N 0 3 350.177 2.863 20 5 FFBDHN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCNCC12CCCCC2 ZINC001580569945 1078827699 /nfs/dbraw/zinc/82/76/99/1078827699.db2.gz IJNYHAAIFUNLNE-UHFFFAOYSA-N 0 3 351.834 2.925 20 5 FFBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCNCC12CCCCC2 ZINC001580570340 1078828056 /nfs/dbraw/zinc/82/80/56/1078828056.db2.gz ZEZHBMUXMSXLSA-UHFFFAOYSA-N 0 3 351.834 2.925 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001556098827 1075700283 /nfs/dbraw/zinc/70/02/83/1075700283.db2.gz ZLXFLOFEBDPKCL-KBXCAEBGSA-N 0 3 371.412 2.913 20 5 FFBDHN COC(=O)[C@@]1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCOC1 ZINC001560624721 1076285714 /nfs/dbraw/zinc/28/57/14/1076285714.db2.gz XSZVPLXRUCWPSI-GOSISDBHSA-N 0 3 360.366 2.524 20 5 FFBDHN CN(C)Cc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(F)c2F)cc1 ZINC001561605967 1076397980 /nfs/dbraw/zinc/39/79/80/1076397980.db2.gz MQVVLLZFFOIDOC-UHFFFAOYSA-N 0 3 372.349 2.702 20 5 FFBDHN C[C@H](CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC001589876318 1080825845 /nfs/dbraw/zinc/82/58/45/1080825845.db2.gz UUDLZRNMCHPRFI-CYBMUJFWSA-N 0 3 367.413 2.707 20 5 FFBDHN C[C@H](CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC001589876318 1080825852 /nfs/dbraw/zinc/82/58/52/1080825852.db2.gz UUDLZRNMCHPRFI-CYBMUJFWSA-N 0 3 367.413 2.707 20 5 FFBDHN C[C@H](CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC001589876318 1080825857 /nfs/dbraw/zinc/82/58/57/1080825857.db2.gz UUDLZRNMCHPRFI-CYBMUJFWSA-N 0 3 367.413 2.707 20 5 FFBDHN C[C@H](CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC001589876318 1080825867 /nfs/dbraw/zinc/82/58/67/1080825867.db2.gz UUDLZRNMCHPRFI-CYBMUJFWSA-N 0 3 367.413 2.707 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000377088854 512119139 /nfs/dbraw/zinc/11/91/39/512119139.db2.gz AOTKPGYOCGNEIR-RDTXWAMCSA-N 0 3 354.410 2.691 20 5 FFBDHN COc1cc(C(=O)NCC2CCN(c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000093191542 250021636 /nfs/dbraw/zinc/02/16/36/250021636.db2.gz WGLOPMZYQGLGJU-UHFFFAOYSA-N 0 3 370.409 2.645 20 5 FFBDHN CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCC[C@@H]1O ZINC000181099011 251241546 /nfs/dbraw/zinc/24/15/46/251241546.db2.gz GWYQKHAXGFFSRA-QAPCUYQASA-N 0 3 358.442 2.978 20 5 FFBDHN CS[C@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1N(C)C ZINC000271985068 251926849 /nfs/dbraw/zinc/92/68/49/251926849.db2.gz FEPBSBRPNVPUPV-HOTGVXAUSA-N 0 3 362.455 2.727 20 5 FFBDHN COc1cc(CNCCCn2cccn2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272437112 252038558 /nfs/dbraw/zinc/03/85/58/252038558.db2.gz OBTGPKJCQCJPKD-UHFFFAOYSA-N 0 3 370.356 2.624 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000275547176 256022602 /nfs/dbraw/zinc/02/26/02/256022602.db2.gz BIMQELCCQIGCBO-GFCCVEGCSA-N 0 3 350.419 2.797 20 5 FFBDHN C[C@H]1C[C@@H](N2CCCC2)CN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000285755330 257003020 /nfs/dbraw/zinc/00/30/20/257003020.db2.gz ZBJSRIKNICGOLO-GXTWGEPZSA-N 0 3 366.849 2.745 20 5 FFBDHN C[C@@H]1CC[C@H](CN2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)O1 ZINC000276472992 256103494 /nfs/dbraw/zinc/10/34/94/256103494.db2.gz ZDRALMGMUIXFTC-UKRRQHHQSA-N 0 3 359.430 2.551 20 5 FFBDHN COc1cc(CN[C@H]2CCOC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000277439639 256198151 /nfs/dbraw/zinc/19/81/51/256198151.db2.gz LFKFATZANBVBPV-JQWIXIFHSA-N 0 3 360.357 2.762 20 5 FFBDHN CC1(C)C[C@H](NC[C@@H]2COC3(CCOCC3)O2)c2cc([N+](=O)[O-])ccc21 ZINC000279169540 256389431 /nfs/dbraw/zinc/38/94/31/256389431.db2.gz UPVGJNRLOJPYGL-PBHICJAKSA-N 0 3 362.426 2.829 20 5 FFBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279266040 256399790 /nfs/dbraw/zinc/39/97/90/256399790.db2.gz JUXOWPVNCDRGDZ-YGRLFVJLSA-N 0 3 357.813 2.728 20 5 FFBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000285811584 257006081 /nfs/dbraw/zinc/00/60/81/257006081.db2.gz NJAVOBNTRHZPSU-BBRMVZONSA-N 0 3 358.442 2.868 20 5 FFBDHN CCS[C@H]1CCC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000286332100 257031635 /nfs/dbraw/zinc/03/16/35/257031635.db2.gz XBCPQDZEEJFFCN-CABCVRRESA-N 0 3 358.485 2.632 20 5 FFBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000286619216 257046211 /nfs/dbraw/zinc/04/62/11/257046211.db2.gz AHNRLQKIWOWTRO-DOTOQJQBSA-N 0 3 372.469 2.894 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000288680378 257217819 /nfs/dbraw/zinc/21/78/19/257217819.db2.gz CRJXSCPJMDHXTE-UXHICEINSA-N 0 3 374.412 2.694 20 5 FFBDHN Cc1cc(F)c(NC(=O)NCCCN2CCCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000296901207 257765015 /nfs/dbraw/zinc/76/50/15/257765015.db2.gz XVSBIMODEPXZEK-ZDUSSCGKSA-N 0 3 368.409 2.665 20 5 FFBDHN C[C@@H]1CCC[C@](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])(N(C)C)C1 ZINC000301102694 258025657 /nfs/dbraw/zinc/02/56/57/258025657.db2.gz RWFQCLXYJIXYTD-DYVFJYSZSA-N 0 3 369.487 2.921 20 5 FFBDHN CCN1CCN(CCCNc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301199985 258033452 /nfs/dbraw/zinc/03/34/52/258033452.db2.gz WBPNZRSADLXJHK-UHFFFAOYSA-N 0 3 371.279 2.797 20 5 FFBDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000302394313 258100444 /nfs/dbraw/zinc/10/04/44/258100444.db2.gz CPJNGTFGCLDMFQ-IBGZPJMESA-N 0 3 359.401 2.807 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000302481390 258103377 /nfs/dbraw/zinc/10/33/77/258103377.db2.gz WMKNQOGKNCMUMZ-FQEVSTJZSA-N 0 3 355.438 2.976 20 5 FFBDHN Cc1cc(N2CCN(CC(C)(C)O)[C@@H](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302476620 258103491 /nfs/dbraw/zinc/10/34/91/258103491.db2.gz FJAJJLSUBWGNLF-AWEZNQCLSA-N 0 3 358.442 2.733 20 5 FFBDHN CC[C@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCN1C[C@H](C)O ZINC000301428786 258049119 /nfs/dbraw/zinc/04/91/19/258049119.db2.gz FEGREVFYOMLCKL-RYUDHWBXSA-N 0 3 361.364 2.895 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301996821 258080677 /nfs/dbraw/zinc/08/06/77/258080677.db2.gz OUXVRMUCWQCAEX-OAHLLOKOSA-N 0 3 366.425 2.738 20 5 FFBDHN Cc1c(NC(=O)CCN2C[C@H]3CCCCN3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000332008719 258210051 /nfs/dbraw/zinc/21/00/51/258210051.db2.gz JSUQEZANNSMVID-GDBMZVCRSA-N 0 3 360.458 2.790 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000332069346 258212393 /nfs/dbraw/zinc/21/23/93/258212393.db2.gz BBMSSMDOCCXUOB-UONOGXRCSA-N 0 3 369.874 2.900 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1C ZINC000332656357 258239283 /nfs/dbraw/zinc/23/92/83/258239283.db2.gz JQUOXJYLIIKZTB-DGCLKSJQSA-N 0 3 360.439 2.931 20 5 FFBDHN CCN(CC)Cc1cccc(NC(=O)CCn2cc([N+](=O)[O-])nc2C)c1 ZINC000065749855 506358189 /nfs/dbraw/zinc/35/81/89/506358189.db2.gz FUNXLKHKKJZQNZ-UHFFFAOYSA-N 0 3 359.430 2.970 20 5 FFBDHN Cc1n[nH]cc1C1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000375329416 512271609 /nfs/dbraw/zinc/27/16/09/512271609.db2.gz ZKVUKFFJUFDBNM-UHFFFAOYSA-N 0 3 357.414 2.835 20 5 FFBDHN C[C@@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC(C)CC1 ZINC000065901194 506388053 /nfs/dbraw/zinc/38/80/53/506388053.db2.gz VYJNQWUUSZZWPB-HNNXBMFYSA-N 0 3 358.442 2.786 20 5 FFBDHN CNC(=O)c1ccc(N2CCCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000053554479 506404148 /nfs/dbraw/zinc/40/41/48/506404148.db2.gz PBHBVYPUFMPPJA-UHFFFAOYSA-N 0 3 368.437 2.667 20 5 FFBDHN C[C@@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1C ZINC000041488275 506526376 /nfs/dbraw/zinc/52/63/76/506526376.db2.gz GENIVHUUFMKSFQ-GJZGRUSLSA-N 0 3 363.462 2.569 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(c3ccc(O)cc3)CC2)c1 ZINC000055290654 506719886 /nfs/dbraw/zinc/71/98/86/506719886.db2.gz RBQBASWKZBAVIJ-IBGZPJMESA-N 0 3 372.421 2.920 20 5 FFBDHN CCCN1CCC(N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)CC1 ZINC000055298109 506722480 /nfs/dbraw/zinc/72/24/80/506722480.db2.gz YDGGKINERLVXFF-UHFFFAOYSA-N 0 3 369.487 2.707 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](Cc2ccccc2)N(C)C)c1 ZINC000067786202 507009315 /nfs/dbraw/zinc/00/93/15/507009315.db2.gz DTOOGUMOTMVBDX-HNNXBMFYSA-N 0 3 357.410 2.506 20 5 FFBDHN O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccc([N+](=O)[O-])o1 ZINC000056478990 507026246 /nfs/dbraw/zinc/02/62/46/507026246.db2.gz ZQSMERAHQIXSBB-UHFFFAOYSA-N 0 3 370.409 2.972 20 5 FFBDHN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1CN1CCCCC1 ZINC000068132713 507123727 /nfs/dbraw/zinc/12/37/27/507123727.db2.gz ZQKOQVLEPMEVCA-MRXNPFEDSA-N 0 3 361.442 2.841 20 5 FFBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000047147919 507272902 /nfs/dbraw/zinc/27/29/02/507272902.db2.gz QQEHUXYIZRTSEZ-ZIAGYGMSSA-N 0 3 351.472 2.924 20 5 FFBDHN Cc1cccc(OCCN(C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000025698302 507524739 /nfs/dbraw/zinc/52/47/39/507524739.db2.gz NKBRZMSPQYIRNM-KRWDZBQOSA-N 0 3 360.410 2.654 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCCN2CCCC[C@H]2C)cc1C ZINC000060497761 507553225 /nfs/dbraw/zinc/55/32/25/507553225.db2.gz LXZQHCMTPXFVRJ-OAHLLOKOSA-N 0 3 369.487 2.754 20 5 FFBDHN CCC[C@@H](C)NC(=O)[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000051049560 507728489 /nfs/dbraw/zinc/72/84/89/507728489.db2.gz NQLVPFXVEBTJCG-CVEARBPZSA-N 0 3 363.458 2.990 20 5 FFBDHN CC(C)(CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCCC1 ZINC000063464732 507733317 /nfs/dbraw/zinc/73/33/17/507733317.db2.gz QLKWPSMBUAXXNX-UHFFFAOYSA-N 0 3 371.441 2.775 20 5 FFBDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000072035677 507738519 /nfs/dbraw/zinc/73/85/19/507738519.db2.gz JBXLXNLSMYNINP-UHFFFAOYSA-N 0 3 358.398 2.896 20 5 FFBDHN CC(=O)Nc1cccc([C@@H](C)NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000028917727 507749956 /nfs/dbraw/zinc/74/99/56/507749956.db2.gz VQTBXTOPYYUWKN-FZKQIMNGSA-N 0 3 373.409 2.644 20 5 FFBDHN CC(C)N1CCC[C@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000063738873 507767336 /nfs/dbraw/zinc/76/73/36/507767336.db2.gz IQSHYWCJVBPKIS-CYBMUJFWSA-N 0 3 355.460 2.531 20 5 FFBDHN Cc1ccc([C@H](C)NC(=O)Nc2ccn(CCN(C)C)n2)cc1[N+](=O)[O-] ZINC000078621227 507890082 /nfs/dbraw/zinc/89/00/82/507890082.db2.gz NTTHBLRQHXBOME-ZDUSSCGKSA-N 0 3 360.418 2.544 20 5 FFBDHN Cc1cnc(NCc2ccc(CN3CCC(O)CC3)cc2)c([N+](=O)[O-])c1 ZINC000078659912 507895024 /nfs/dbraw/zinc/89/50/24/507895024.db2.gz CJDAVCMWRVRPFH-UHFFFAOYSA-N 0 3 356.426 2.867 20 5 FFBDHN Cn1ccnc1C[C@@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000090003543 507899224 /nfs/dbraw/zinc/89/92/24/507899224.db2.gz MCQFXCCAJKFLAQ-ZDUSSCGKSA-N 0 3 355.398 2.924 20 5 FFBDHN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H](N(C)C)C1 ZINC000109810940 507989384 /nfs/dbraw/zinc/98/93/84/507989384.db2.gz HUDIGWLJTUBFFQ-YPMHNXCESA-N 0 3 354.838 2.601 20 5 FFBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000080125655 508041236 /nfs/dbraw/zinc/04/12/36/508041236.db2.gz AFXCPYKLNZYVMH-GFCCVEGCSA-N 0 3 357.332 2.828 20 5 FFBDHN CN(CCC1CCN(c2ccncc2)CC1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000092517573 508077439 /nfs/dbraw/zinc/07/74/39/508077439.db2.gz CJVQDAHBYFBAOA-UHFFFAOYSA-N 0 3 358.398 2.962 20 5 FFBDHN CN1CC[C@@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000377654659 512380045 /nfs/dbraw/zinc/38/00/45/512380045.db2.gz RMBZFZYEHPOJDX-VQIMIIECSA-N 0 3 372.400 2.707 20 5 FFBDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000081128601 508140992 /nfs/dbraw/zinc/14/09/92/508140992.db2.gz AHDARXLHQWNPLE-QGZVFWFLSA-N 0 3 369.421 2.707 20 5 FFBDHN COCCOc1cccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000093534296 508148544 /nfs/dbraw/zinc/14/85/44/508148544.db2.gz FTSKKCMREXCWEH-MRXNPFEDSA-N 0 3 372.425 2.701 20 5 FFBDHN C[C@@H]1CN(CCCCNC(=O)/C=C/c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000083043595 508234803 /nfs/dbraw/zinc/23/48/03/508234803.db2.gz MKCLJIMBECHRSI-UETGSQEOSA-N 0 3 361.442 2.614 20 5 FFBDHN Cc1ccc(S(=O)(=O)[N-]CCCC[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000101572155 508247658 /nfs/dbraw/zinc/24/76/58/508247658.db2.gz VPLXJLPSQMNVHU-UHFFFAOYSA-N 0 3 369.487 2.694 20 5 FFBDHN CN(C)CCN(Cc1cccs1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000084381361 508276284 /nfs/dbraw/zinc/27/62/84/508276284.db2.gz BZQIWZLSJPCTIY-UHFFFAOYSA-N 0 3 362.455 2.659 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000114645218 508333777 /nfs/dbraw/zinc/33/37/77/508333777.db2.gz KWOFQEDWDDXJOW-KRWDZBQOSA-N 0 3 369.421 2.998 20 5 FFBDHN CCOC(=O)c1ccnc(NC[C@H](c2cccs2)N(C)C)c1[N+](=O)[O-] ZINC000077903476 508390255 /nfs/dbraw/zinc/39/02/55/508390255.db2.gz PEBREXPLFLAMFY-GFCCVEGCSA-N 0 3 364.427 2.943 20 5 FFBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H](N(C)C)C1 ZINC000106364027 508399890 /nfs/dbraw/zinc/39/98/90/508399890.db2.gz ONQSLEDANFTMEN-YPMHNXCESA-N 0 3 355.822 2.568 20 5 FFBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000152266315 508412212 /nfs/dbraw/zinc/41/22/12/508412212.db2.gz MQKWFKYRGDSULK-AWEZNQCLSA-N 0 3 357.414 2.849 20 5 FFBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152266315 508412214 /nfs/dbraw/zinc/41/22/14/508412214.db2.gz MQKWFKYRGDSULK-AWEZNQCLSA-N 0 3 357.414 2.849 20 5 FFBDHN CCCc1n[nH]c(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000156620899 508451347 /nfs/dbraw/zinc/45/13/47/508451347.db2.gz CDVJBGKBCXQYCM-BBRMVZONSA-N 0 3 371.441 2.521 20 5 FFBDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000153332336 508572877 /nfs/dbraw/zinc/57/28/77/508572877.db2.gz ZZXDVJABUHCJIV-UHFFFAOYSA-N 0 3 371.437 2.823 20 5 FFBDHN COC[C@H](O)CCNCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000153759703 508643286 /nfs/dbraw/zinc/64/32/86/508643286.db2.gz KTYBEYKJPGVPGT-QGZVFWFLSA-N 0 3 359.426 2.850 20 5 FFBDHN Cc1c(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000123242126 508657009 /nfs/dbraw/zinc/65/70/09/508657009.db2.gz CHVSMVMLXTVHKX-MFKMUULPSA-N 0 3 364.402 2.675 20 5 FFBDHN O=C(COc1ccc([N+](=O)[O-])c2ccccc12)NC1CCN(C2CC2)CC1 ZINC000124438218 508831878 /nfs/dbraw/zinc/83/18/78/508831878.db2.gz HTKVMRUQDVEMLB-UHFFFAOYSA-N 0 3 369.421 2.870 20 5 FFBDHN Cc1nccn1CCCN(C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000130890212 508860581 /nfs/dbraw/zinc/86/05/81/508860581.db2.gz XIWIHTNAEVJQTG-UHFFFAOYSA-N 0 3 356.386 2.672 20 5 FFBDHN CN(C)c1cccc(CN(C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000159807634 508893617 /nfs/dbraw/zinc/89/36/17/508893617.db2.gz NZPIPUZTBNMKGB-SFHVURJKSA-N 0 3 359.426 2.533 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000120079609 508924133 /nfs/dbraw/zinc/92/41/33/508924133.db2.gz ZGWNKOIOHPAFKS-UGSOOPFHSA-N 0 3 354.410 2.549 20 5 FFBDHN Cc1csc(Sc2ccc(C(=O)NCCN(C)C)cc2[N+](=O)[O-])n1 ZINC000120311090 508970034 /nfs/dbraw/zinc/97/00/34/508970034.db2.gz GPSDCNXLGKXOSB-UHFFFAOYSA-N 0 3 366.468 2.802 20 5 FFBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000120509259 509011008 /nfs/dbraw/zinc/01/10/08/509011008.db2.gz CKUCIAZYQPYRRM-WBVHZDCISA-N 0 3 374.485 2.610 20 5 FFBDHN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000126632045 509105610 /nfs/dbraw/zinc/10/56/10/509105610.db2.gz DRWAYFHHQVYJKK-HNNXBMFYSA-N 0 3 369.381 2.631 20 5 FFBDHN CNC(=O)c1ccc(N(CCN(C)C)Cc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000162153789 509174354 /nfs/dbraw/zinc/17/43/54/509174354.db2.gz RXTXMCJYAKFLOO-UHFFFAOYSA-N 0 3 374.416 2.662 20 5 FFBDHN CCN1CCN(Cc2ccccc2CNc2ncc([N+](=O)[O-])s2)CC1 ZINC000195508668 509202401 /nfs/dbraw/zinc/20/24/01/509202401.db2.gz IWJRQPKSKPYCJN-UHFFFAOYSA-N 0 3 361.471 2.801 20 5 FFBDHN CN1CC[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000248034359 509221251 /nfs/dbraw/zinc/22/12/51/509221251.db2.gz KWFZLMWZPVVDJY-FXAWDEMLSA-N 0 3 368.437 2.958 20 5 FFBDHN O=C(NCc1ccc2c(c1)CNC2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000188724240 509231482 /nfs/dbraw/zinc/23/14/82/509231482.db2.gz LVGKXETUPJBQQU-UHFFFAOYSA-N 0 3 366.421 2.728 20 5 FFBDHN COc1cccc(CN(CCN(C)C)C(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000191948939 509258346 /nfs/dbraw/zinc/25/83/46/509258346.db2.gz UFLMORMVMMZVAP-UHFFFAOYSA-N 0 3 357.410 2.807 20 5 FFBDHN COc1ccc([C@H]2CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000248444400 509323640 /nfs/dbraw/zinc/32/36/40/509323640.db2.gz FXGFONYBAOFZBN-DLBZAZTESA-N 0 3 372.421 2.833 20 5 FFBDHN Cc1n[nH]c(C)c1[C@@H]1CCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248463598 509333538 /nfs/dbraw/zinc/33/35/38/509333538.db2.gz QRMLLJIYZBAMSG-ZBFHGGJFSA-N 0 3 360.414 2.512 20 5 FFBDHN C[C@@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])N(C)C1CC1 ZINC000182620505 509336648 /nfs/dbraw/zinc/33/66/48/509336648.db2.gz XTLCNVATAJGISJ-JTQLQIEISA-N 0 3 357.863 2.939 20 5 FFBDHN CC1CCN([C@@H](CNC(=O)c2c([N+](=O)[O-])cnn2C)c2ccccc2)CC1 ZINC000163420004 509374715 /nfs/dbraw/zinc/37/47/15/509374715.db2.gz WADHSLWKEYZMKY-INIZCTEOSA-N 0 3 371.441 2.531 20 5 FFBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000227836733 509414546 /nfs/dbraw/zinc/41/45/46/509414546.db2.gz QLNPDCZVFROJDF-CABCVRRESA-N 0 3 371.441 2.631 20 5 FFBDHN CCOc1ccc([C@H](C)NCCN2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000179420358 509435422 /nfs/dbraw/zinc/43/54/22/509435422.db2.gz PNVDOJIVEALWDQ-AWEZNQCLSA-N 0 3 351.447 2.755 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000248924788 509545806 /nfs/dbraw/zinc/54/58/06/509545806.db2.gz XAMSTMIWLQBZBL-HNAYVOBHSA-N 0 3 353.422 2.774 20 5 FFBDHN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCCNCC3)cc2[N+](=O)[O-])C1 ZINC000237691098 509712596 /nfs/dbraw/zinc/71/25/96/509712596.db2.gz IRMDAXYZSILWNU-GASCZTMLSA-N 0 3 360.458 2.513 20 5 FFBDHN CC1CCN(c2ccc(C(=O)N(C)CCN(C)C3CC3)cc2[N+](=O)[O-])CC1 ZINC000186708563 509864853 /nfs/dbraw/zinc/86/48/53/509864853.db2.gz VYNIYVXSWXCGDF-UHFFFAOYSA-N 0 3 374.485 2.997 20 5 FFBDHN CCOC(=O)C[C@](C)(NCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000186720630 509872299 /nfs/dbraw/zinc/87/22/99/509872299.db2.gz CZDUHBJAKBUMNL-SFHVURJKSA-N 0 3 365.430 2.799 20 5 FFBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1Cl ZINC000183767481 509965032 /nfs/dbraw/zinc/96/50/32/509965032.db2.gz GTXNSMWACDWNQP-ONGXEEELSA-N 0 3 359.213 2.810 20 5 FFBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CC1(N(C)C)CCC1 ZINC000187001738 509998990 /nfs/dbraw/zinc/99/89/90/509998990.db2.gz DYGRPOYRIPBTLN-GFCCVEGCSA-N 0 3 368.865 2.991 20 5 FFBDHN Cc1c(C(=O)N(C)C[C@H]2CCCN(C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000265361957 510013773 /nfs/dbraw/zinc/01/37/73/510013773.db2.gz ZWVONHXTWHOIRS-ZDUSSCGKSA-N 0 3 364.402 2.534 20 5 FFBDHN CC(C)n1cnnc1[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000180629868 510023835 /nfs/dbraw/zinc/02/38/35/510023835.db2.gz YFJXPMXVGQSYPC-WBVHZDCISA-N 0 3 359.430 2.680 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000193723374 510036107 /nfs/dbraw/zinc/03/61/07/510036107.db2.gz QVWFQQUIBIJMAR-UONOGXRCSA-N 0 3 364.446 2.523 20 5 FFBDHN COc1ccccc1[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000265631346 510146759 /nfs/dbraw/zinc/14/67/59/510146759.db2.gz DTFQBMSTOLGKIX-NVXWUHKLSA-N 0 3 372.421 2.833 20 5 FFBDHN O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[C@@H](N2CCCC2)C1 ZINC000171447130 510164542 /nfs/dbraw/zinc/16/45/42/510164542.db2.gz MYUHKASQSBBSRP-QGZVFWFLSA-N 0 3 372.469 2.895 20 5 FFBDHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2ccncc2)cc1 ZINC000180931375 510189730 /nfs/dbraw/zinc/18/97/30/510189730.db2.gz MWLUGXPJWGEDMK-AUUYWEPGSA-N 0 3 367.409 2.565 20 5 FFBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000177780667 510248728 /nfs/dbraw/zinc/24/87/28/510248728.db2.gz COBBKUKUAIGFMY-HIFRSBDPSA-N 0 3 351.834 2.876 20 5 FFBDHN CC(C)(C)[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(F)c1 ZINC000181073960 510268254 /nfs/dbraw/zinc/26/82/54/510268254.db2.gz XHDIPAINRPSTAC-JKSUJKDBSA-N 0 3 350.394 2.668 20 5 FFBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184336318 510269061 /nfs/dbraw/zinc/26/90/61/510269061.db2.gz YNOHHYNIIOMVPL-UHFFFAOYSA-N 0 3 360.389 2.520 20 5 FFBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000184341600 510273766 /nfs/dbraw/zinc/27/37/66/510273766.db2.gz YNAPVQGWELYPER-ZDUSSCGKSA-N 0 3 374.466 2.881 20 5 FFBDHN CN(C)C[C@H]1CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000269291346 510327695 /nfs/dbraw/zinc/32/76/95/510327695.db2.gz FHSACROTDNASJB-GFCCVEGCSA-N 0 3 356.220 2.524 20 5 FFBDHN COc1cc(C(=O)NCc2ccccc2CN(C)C)cc([N+](=O)[O-])c1OC ZINC000266053299 510381295 /nfs/dbraw/zinc/38/12/95/510381295.db2.gz GXFDRHKGCZZKEE-UHFFFAOYSA-N 0 3 373.409 2.604 20 5 FFBDHN CCc1n[nH]c(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)c1[N+](=O)[O-] ZINC000171806365 510382066 /nfs/dbraw/zinc/38/20/66/510382066.db2.gz FLEUFKRODVZSTM-INIZCTEOSA-N 0 3 371.441 2.756 20 5 FFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246239035 510383640 /nfs/dbraw/zinc/38/36/40/510383640.db2.gz RKUJBHQCFCHVGZ-GJZGRUSLSA-N 0 3 369.487 2.562 20 5 FFBDHN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCN[C@H](C)[C@H]3C)cc2[N+](=O)[O-])C1 ZINC000262743768 510393754 /nfs/dbraw/zinc/39/37/54/510393754.db2.gz FIBCMFOBMCYIRF-QKPAOTATSA-N 0 3 374.485 2.900 20 5 FFBDHN CCOC1CC(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)(N2CCOCC2)C1 ZINC000194647379 510464958 /nfs/dbraw/zinc/46/49/58/510464958.db2.gz NGHFGDMBCVMYHW-VNCLNFNDSA-N 0 3 363.458 2.515 20 5 FFBDHN O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[C@H](N2CCCCC2)C1 ZINC000266311570 510510048 /nfs/dbraw/zinc/51/00/48/510510048.db2.gz DNVNNZCFEQSOGB-HNNXBMFYSA-N 0 3 360.414 2.616 20 5 FFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)[C@@H](C)C1 ZINC000246494931 510521403 /nfs/dbraw/zinc/52/14/03/510521403.db2.gz XMICXBFCERNSMY-XJKSGUPXSA-N 0 3 369.487 2.562 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(OC2CCCC2)CC1 ZINC000181648862 510521875 /nfs/dbraw/zinc/52/18/75/510521875.db2.gz IOIZQQGVWOHTHP-OAHLLOKOSA-N 0 3 364.442 2.758 20 5 FFBDHN CC1(C)CN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1 ZINC000175433247 510645011 /nfs/dbraw/zinc/64/50/11/510645011.db2.gz RFMZNUQQLOLMGK-UHFFFAOYSA-N 0 3 374.363 2.626 20 5 FFBDHN C[C@H](NCc1cccc(C(=O)NCCN(C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178653511 510705816 /nfs/dbraw/zinc/70/58/16/510705816.db2.gz IWBMWWFDYQFFKM-HNNXBMFYSA-N 0 3 370.453 2.737 20 5 FFBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)n1 ZINC000191618819 510755911 /nfs/dbraw/zinc/75/59/11/510755911.db2.gz NZCZUWSKDUWWEH-AWEZNQCLSA-N 0 3 371.441 2.767 20 5 FFBDHN O=[N+]([O-])c1ccccc1OCCN[C@@H](CN1CCOCC1)c1ccccc1 ZINC000182164458 510790424 /nfs/dbraw/zinc/79/04/24/510790424.db2.gz BVJJINVJBPLUDI-SFHVURJKSA-N 0 3 371.437 2.637 20 5 FFBDHN C[C@H](NCCOc1cccc([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000182189469 510804321 /nfs/dbraw/zinc/80/43/21/510804321.db2.gz DWSLHMQXEYVMKO-ZDUSSCGKSA-N 0 3 364.423 2.728 20 5 FFBDHN CC(C)CCOC1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182213572 510817292 /nfs/dbraw/zinc/81/72/92/510817292.db2.gz JIOPIYOCDUNIEM-INIZCTEOSA-N 0 3 366.458 2.862 20 5 FFBDHN CCCN1CCN(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000360466147 510911284 /nfs/dbraw/zinc/91/12/84/510911284.db2.gz JCOVNGSVFLUWJT-UHFFFAOYSA-N 0 3 368.428 2.869 20 5 FFBDHN CSc1ccc([C@@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])N(C)C)cc1 ZINC000294313398 511023700 /nfs/dbraw/zinc/02/37/00/511023700.db2.gz IKGAEEVJJKNQEL-MRXNPFEDSA-N 0 3 374.466 2.932 20 5 FFBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000271067863 511073677 /nfs/dbraw/zinc/07/36/77/511073677.db2.gz XLTQYMSQHCNSLY-ZDUSSCGKSA-N 0 3 351.472 2.876 20 5 FFBDHN Cn1cc([C@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)CC23CCOCC3)cn1 ZINC000294685791 511142852 /nfs/dbraw/zinc/14/28/52/511142852.db2.gz AHBTXIKWMHUNRE-QGZVFWFLSA-N 0 3 374.416 2.864 20 5 FFBDHN COc1cc(CN[C@H]2C[C@@H](O)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000294756351 511168089 /nfs/dbraw/zinc/16/80/89/511168089.db2.gz DRELAAOOTDNJER-WOVMCDHWSA-N 0 3 358.394 2.795 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(c3cccc(Cl)c3)CC2)c1 ZINC000280531495 511500906 /nfs/dbraw/zinc/50/09/06/511500906.db2.gz OZUCJIJAFZHKRZ-QGZVFWFLSA-N 0 3 364.833 2.685 20 5 FFBDHN Cc1c(NC(=O)N(C)CCN(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000280813331 511613817 /nfs/dbraw/zinc/61/38/17/511613817.db2.gz SPBUWCIHLQPHAZ-UHFFFAOYSA-N 0 3 359.224 2.691 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](c2cccc(F)c2)N(C)C)n1 ZINC000281020400 511691451 /nfs/dbraw/zinc/69/14/51/511691451.db2.gz SATYGAIFTZBEDJ-HNNXBMFYSA-N 0 3 362.361 2.630 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](c2cccc(F)c2)N(C)C)n1 ZINC000281020404 511691725 /nfs/dbraw/zinc/69/17/25/511691725.db2.gz SATYGAIFTZBEDJ-OAHLLOKOSA-N 0 3 362.361 2.630 20 5 FFBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](N2CCCC2)C1 ZINC000363690112 511705527 /nfs/dbraw/zinc/70/55/27/511705527.db2.gz HQZONJKXAXGAHB-CZUORRHYSA-N 0 3 357.414 2.876 20 5 FFBDHN O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC[C@@H](N2CCCC2)C1 ZINC000363698098 511710221 /nfs/dbraw/zinc/71/02/21/511710221.db2.gz ZXBDPJLEKLMPLZ-QGZVFWFLSA-N 0 3 372.469 2.895 20 5 FFBDHN CC[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000303477334 511739286 /nfs/dbraw/zinc/73/92/86/511739286.db2.gz PDQIGOWMECIXFC-CQSZACIVSA-N 0 3 369.487 2.774 20 5 FFBDHN CN1CC[C@@H]2OCCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)[C@@H]2C1 ZINC000284734940 511844217 /nfs/dbraw/zinc/84/42/17/511844217.db2.gz WBRPACSDOKFBNM-SJORKVTESA-N 0 3 374.466 2.623 20 5 FFBDHN O=C(CCN1CCC(OCC2CC2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000364117231 511968627 /nfs/dbraw/zinc/96/86/27/511968627.db2.gz JEXVAKOVCMFCGH-UHFFFAOYSA-N 0 3 365.405 2.954 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000275078757 512034593 /nfs/dbraw/zinc/03/45/93/512034593.db2.gz CNZMLXQCIXFIEK-VXGBXAGGSA-N 0 3 359.348 2.965 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H]1N1CCCC1 ZINC000275126074 512049433 /nfs/dbraw/zinc/04/94/33/512049433.db2.gz NRUAKJUYZSVCEE-JKSUJKDBSA-N 0 3 374.466 2.728 20 5 FFBDHN CS[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1N1CCCC1 ZINC000275146476 512055596 /nfs/dbraw/zinc/05/55/96/512055596.db2.gz XVJASTLLWMEBHM-GOEBONIOSA-N 0 3 362.455 2.748 20 5 FFBDHN Cc1ccc([C@@H](C)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)cc1[N+](=O)[O-] ZINC000376055242 512637395 /nfs/dbraw/zinc/63/73/95/512637395.db2.gz IWLNJGIGRNMZKM-UKRRQHHQSA-N 0 3 367.471 2.510 20 5 FFBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1N1CCN(C)CC1 ZINC000374308238 512757831 /nfs/dbraw/zinc/75/78/31/512757831.db2.gz FPYAXOYVAINOPD-CZUORRHYSA-N 0 3 352.866 2.710 20 5 FFBDHN C[C@@H](N[C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000370167937 512800083 /nfs/dbraw/zinc/80/00/83/512800083.db2.gz WZDFWORPOJLTKL-UKRRQHHQSA-N 0 3 354.410 2.623 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(c2cn[nH]c2)CC1 ZINC000376484019 512838245 /nfs/dbraw/zinc/83/82/45/512838245.db2.gz KNIUNWRXCAAFHG-UHFFFAOYSA-N 0 3 373.413 2.535 20 5 FFBDHN CC(C)[C@@]1(CO)CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000368229066 512855715 /nfs/dbraw/zinc/85/57/15/512855715.db2.gz STMWYFJZKONZNS-IBGZPJMESA-N 0 3 358.442 2.836 20 5 FFBDHN CNc1c(C(=O)NC[C@H](C)N(C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000390727043 512910532 /nfs/dbraw/zinc/91/05/32/512910532.db2.gz RZZYVGDPWNXXGR-AWEZNQCLSA-N 0 3 356.426 2.887 20 5 FFBDHN CN(C)C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)c2ccccc2O1 ZINC000370503705 512967645 /nfs/dbraw/zinc/96/76/45/512967645.db2.gz WVXDEQPJTTWEKB-ZDUSSCGKSA-N 0 3 359.357 2.703 20 5 FFBDHN NC(=O)c1ccccc1N1CC[C@@H](NC/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000370829496 513115562 /nfs/dbraw/zinc/11/55/62/513115562.db2.gz HACJVYJLZCKFKM-BIENSFFJSA-N 0 3 366.421 2.575 20 5 FFBDHN O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000428553602 513129300 /nfs/dbraw/zinc/12/93/00/513129300.db2.gz XOPGYSPXHMSWAM-KRWDZBQOSA-N 0 3 359.357 2.553 20 5 FFBDHN CN(C)C1(CN(C)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000445977384 513158291 /nfs/dbraw/zinc/15/82/91/513158291.db2.gz LCNGEGBJEDPUJS-UHFFFAOYSA-N 0 3 368.865 2.916 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000439898855 513206619 /nfs/dbraw/zinc/20/66/19/513206619.db2.gz JAXTYSZEDHFNIV-CYBMUJFWSA-N 0 3 350.419 2.799 20 5 FFBDHN C[C@@H]1C[C@H]1N1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](C)C1 ZINC000429012246 513252334 /nfs/dbraw/zinc/25/23/34/513252334.db2.gz SVAROROQNREWGK-CKEIUWERSA-N 0 3 371.441 2.807 20 5 FFBDHN CC(=O)N1CCCN(C[C@@H]2CCCN(c3cc(C)ccc3[N+](=O)[O-])C2)CC1 ZINC000450763649 513330224 /nfs/dbraw/zinc/33/02/24/513330224.db2.gz BMADGVXORXGSOH-SFHVURJKSA-N 0 3 374.485 2.674 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000415648622 513361426 /nfs/dbraw/zinc/36/14/26/513361426.db2.gz CEHHJWWMQLFCBI-JKSUJKDBSA-N 0 3 370.409 2.952 20 5 FFBDHN C[C@@H]1CN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000415686454 513379669 /nfs/dbraw/zinc/37/96/69/513379669.db2.gz AJFBRCVUGSFEFM-BDAKNGLRSA-N 0 3 357.208 2.571 20 5 FFBDHN CN(C[C@H]1CCCN1C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000421710621 513382768 /nfs/dbraw/zinc/38/27/68/513382768.db2.gz LMVCZJSKUSQYQD-GFCCVEGCSA-N 0 3 357.863 2.893 20 5 FFBDHN CN1C[C@@H]2CCCN(C(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000425057585 513394722 /nfs/dbraw/zinc/39/47/22/513394722.db2.gz BAVWWLXHTYXVEG-IINYFYTJSA-N 0 3 357.332 2.780 20 5 FFBDHN CN1C[C@@H]2CCCN(C(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])[C@@H]2C1 ZINC000425070689 513401367 /nfs/dbraw/zinc/40/13/67/513401367.db2.gz XALVUZBIWSMHKG-DOTOQJQBSA-N 0 3 366.421 2.823 20 5 FFBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415970978 513508048 /nfs/dbraw/zinc/50/80/48/513508048.db2.gz IZIHMSOSCOWQRJ-UHFFFAOYSA-N 0 3 370.409 2.783 20 5 FFBDHN COc1cc(NC(=O)CN[C@H](C)Cc2ccccc2[N+](=O)[O-])cc(OC)c1 ZINC000425357292 513525737 /nfs/dbraw/zinc/52/57/37/513525737.db2.gz RTIKWJMXXNVKNZ-CYBMUJFWSA-N 0 3 373.409 2.771 20 5 FFBDHN O=[N+]([O-])c1cc(Br)ccc1CNC1(CO)CCSCC1 ZINC000425467559 513581145 /nfs/dbraw/zinc/58/11/45/513581145.db2.gz CENWMQTYIAJBGH-UHFFFAOYSA-N 0 3 361.261 2.705 20 5 FFBDHN Cc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)n(C2CCN(C)CC2)n1 ZINC000430447783 513656294 /nfs/dbraw/zinc/65/62/94/513656294.db2.gz NWJOSADDRYWYRZ-UHFFFAOYSA-N 0 3 361.377 2.758 20 5 FFBDHN C[C@@]12CN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451360678 513700532 /nfs/dbraw/zinc/70/05/32/513700532.db2.gz FQIBKBPCPQMUSI-MJEZEWASSA-N 0 3 353.422 2.628 20 5 FFBDHN COc1cc(C(=O)NCc2ccc(CN(C)C)cc2)c([N+](=O)[O-])cc1F ZINC000448594078 513798803 /nfs/dbraw/zinc/79/88/03/513798803.db2.gz IYQUGDDJVQVBIN-UHFFFAOYSA-N 0 3 361.373 2.734 20 5 FFBDHN Cc1cc(NC(=O)NCc2ccccc2[N+](=O)[O-])n(C2CCN(C)CC2)n1 ZINC000431121954 513832025 /nfs/dbraw/zinc/83/20/25/513832025.db2.gz SGAJUXVQCVXLIJ-UHFFFAOYSA-N 0 3 372.429 2.688 20 5 FFBDHN COc1cc(C[NH2+]C[C@H]2Cc3ccccc3N(C)C2)c([N+](=O)[O-])cc1[O-] ZINC000436379900 513841017 /nfs/dbraw/zinc/84/10/17/513841017.db2.gz SWWCNFLDDOZVTD-CYBMUJFWSA-N 0 3 357.410 2.707 20 5 FFBDHN COc1ccc(OCCN(C)Cc2ccc(O)c(OC)c2)c([N+](=O)[O-])c1 ZINC000426358921 513913554 /nfs/dbraw/zinc/91/35/54/513913554.db2.gz BMOSEFPOFWUQIZ-UHFFFAOYSA-N 0 3 362.382 2.828 20 5 FFBDHN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CCCCN1C1CCCC1 ZINC000431625639 513949318 /nfs/dbraw/zinc/94/93/18/513949318.db2.gz ZKMWXWDUYBLNOB-GOSISDBHSA-N 0 3 360.458 2.920 20 5 FFBDHN COc1cc(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000448932283 513978982 /nfs/dbraw/zinc/97/89/82/513978982.db2.gz HSAWPQFBQBITMG-RYUDHWBXSA-N 0 3 353.394 2.735 20 5 FFBDHN CCc1ccccc1[C@H](N)CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000420280498 514070357 /nfs/dbraw/zinc/07/03/57/514070357.db2.gz QJKYATKDVREREC-OAHLLOKOSA-N 0 3 363.439 2.673 20 5 FFBDHN CC(C)OCCOC1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000451949155 514087920 /nfs/dbraw/zinc/08/79/20/514087920.db2.gz BALWFAUZYDVZJZ-UHFFFAOYSA-N 0 3 352.431 2.880 20 5 FFBDHN C[C@@H]1CN(C2CCOCC2)CCN1c1ccnc2c1cccc2[N+](=O)[O-] ZINC000432152079 514109833 /nfs/dbraw/zinc/10/98/33/514109833.db2.gz IDVCGSGSBXUZFB-CQSZACIVSA-N 0 3 356.426 2.833 20 5 FFBDHN O=C(CNc1ccnc2c1cccc2[N+](=O)[O-])NCCN1CCCCCC1 ZINC000432170744 514114625 /nfs/dbraw/zinc/11/46/25/514114625.db2.gz VELNJYWNEUPXQW-UHFFFAOYSA-N 0 3 371.441 2.547 20 5 FFBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000449213749 514116927 /nfs/dbraw/zinc/11/69/27/514116927.db2.gz VRCKWVYYCIIITJ-AAEUAGOBSA-N 0 3 359.348 2.669 20 5 FFBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1cnc(N2CCOCC2)c(F)c1 ZINC000449248402 514130040 /nfs/dbraw/zinc/13/00/40/514130040.db2.gz JCSAZNTYFYXEOM-AWEZNQCLSA-N 0 3 374.416 2.686 20 5 FFBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]1NCCc2ccccc21 ZINC000423431316 514140536 /nfs/dbraw/zinc/14/05/36/514140536.db2.gz QJRMJGWVOOYDCS-KUHUBIRLSA-N 0 3 368.437 2.789 20 5 FFBDHN O=C(CCN1CCNC[C@@H]1c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000420421200 514142919 /nfs/dbraw/zinc/14/29/19/514142919.db2.gz YNGIUAJLUVWUNE-GOSISDBHSA-N 0 3 354.410 2.570 20 5 FFBDHN CC(C)(CN1CCCC1)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000452093099 514187284 /nfs/dbraw/zinc/18/72/84/514187284.db2.gz GHSGKEKTFVABQW-UHFFFAOYSA-N 0 3 354.838 2.651 20 5 FFBDHN CC(C)(CN1CCCC1)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000452100023 514192345 /nfs/dbraw/zinc/19/23/45/514192345.db2.gz YHBOBPMRFQKPGD-UHFFFAOYSA-N 0 3 354.838 2.651 20 5 FFBDHN CCc1ccccc1[C@H](N)CNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000417177991 514211851 /nfs/dbraw/zinc/21/18/51/514211851.db2.gz DGMDMNQBVMFNMM-MRXNPFEDSA-N 0 3 372.425 2.665 20 5 FFBDHN Cn1cc(CN2CC[C@@H]3C[C@H](O)CC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449558873 514254514 /nfs/dbraw/zinc/25/45/14/514254514.db2.gz XEJBXNAGRUUYSY-JTDSTZFVSA-N 0 3 370.453 2.978 20 5 FFBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C)C(=O)NCCc1ccccc1 ZINC000449580669 514261792 /nfs/dbraw/zinc/26/17/92/514261792.db2.gz SPTHGZHYIJZDRX-HOTGVXAUSA-N 0 3 355.438 2.863 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCO[C@@H](c2ccnn2C)C1 ZINC000449582365 514263617 /nfs/dbraw/zinc/26/36/17/514263617.db2.gz FVXMNLUEXQHNTH-RDTXWAMCSA-N 0 3 360.414 2.737 20 5 FFBDHN COc1cc(C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)c([N+](=O)[O-])cc1[O-] ZINC000449615616 514271529 /nfs/dbraw/zinc/27/15/29/514271529.db2.gz MQVPVWMXFQFBRK-CXAGYDPISA-N 0 3 359.382 2.714 20 5 FFBDHN CCc1ccccc1[C@@H](N)CNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000423938215 514297214 /nfs/dbraw/zinc/29/72/14/514297214.db2.gz ISNXLOHYCUIJCU-INIZCTEOSA-N 0 3 357.410 2.904 20 5 FFBDHN Cn1cc(CN2CCC[C@@]3(CCOC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449681881 514301631 /nfs/dbraw/zinc/30/16/31/514301631.db2.gz FJSWTTORWMNKFQ-LJQANCHMSA-N 0 3 356.426 2.998 20 5 FFBDHN COc1ccc(-c2ccc(CN[C@@H]3CC[C@H](C(N)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000449744289 514331907 /nfs/dbraw/zinc/33/19/07/514331907.db2.gz GBPOJIIWSWSMOT-NWDGAFQWSA-N 0 3 359.382 2.607 20 5 FFBDHN COc1cccc([C@H](CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)N(C)C)c1 ZINC000427983884 514365884 /nfs/dbraw/zinc/36/58/84/514365884.db2.gz MLBAEFKLPMPCIB-KRWDZBQOSA-N 0 3 355.398 2.616 20 5 FFBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H]1NCCc2ccccc21 ZINC000414941912 514366247 /nfs/dbraw/zinc/36/62/47/514366247.db2.gz BGYNRQHGHMRWPQ-AUUYWEPGSA-N 0 3 368.437 2.789 20 5 FFBDHN COCCO[C@@H]1COCC[C@@H]1N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433062369 514368913 /nfs/dbraw/zinc/36/89/13/514368913.db2.gz OHZXBHTXGDBUMO-RCCFBDPRSA-N 0 3 364.442 2.727 20 5 FFBDHN Cc1cc(NC(=O)NCCCN2CCCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000433069155 514369479 /nfs/dbraw/zinc/36/94/79/514369479.db2.gz BZGKXUTZYOSOBJ-AWEZNQCLSA-N 0 3 350.419 2.526 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN(Cc2ccc3ccccc3c2)C2CC2)c1 ZINC000438829087 514450058 /nfs/dbraw/zinc/45/00/58/514450058.db2.gz IYRUCDATLQAQLF-HXUWFJFHSA-N 0 3 366.421 2.970 20 5 FFBDHN Cc1ccc(S(=O)(=O)N[C@H](C)CN2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000470615177 514550234 /nfs/dbraw/zinc/55/02/34/514550234.db2.gz USRMEGASIZINGR-QLFBSQMISA-N 0 3 369.487 2.548 20 5 FFBDHN O=C([C@H]1CCCN1C1CCCC1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461409862 514601577 /nfs/dbraw/zinc/60/15/77/514601577.db2.gz YISYRIZLBYXWSH-QGZVFWFLSA-N 0 3 359.426 2.723 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](C)CN2CCCCC2)cc1C ZINC000497782218 514637589 /nfs/dbraw/zinc/63/75/89/514637589.db2.gz JBNPSPXBYJKJPX-CYBMUJFWSA-N 0 3 369.487 2.612 20 5 FFBDHN COC(=O)COc1ccc(CN(C)C2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000475567225 514716916 /nfs/dbraw/zinc/71/69/16/514716916.db2.gz CPVWCWPOUYQIRQ-UHFFFAOYSA-N 0 3 370.405 2.746 20 5 FFBDHN COc1cc(N2CC[C@@H](OCCN3CCCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000508256516 514723431 /nfs/dbraw/zinc/72/34/31/514723431.db2.gz HWTPOLOZYWTSJC-CQSZACIVSA-N 0 3 367.421 2.824 20 5 FFBDHN CN(CCN1CCCC1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000498471283 514917826 /nfs/dbraw/zinc/91/78/26/514917826.db2.gz HETAZVJIOMKXAL-UHFFFAOYSA-N 0 3 354.838 2.528 20 5 FFBDHN COCC[C@H](N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)(C)C ZINC000508989148 514978239 /nfs/dbraw/zinc/97/82/39/514978239.db2.gz ZLTQKUZXMARFHX-WBMJQRKESA-N 0 3 367.446 2.971 20 5 FFBDHN COCCN1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485411683 515029124 /nfs/dbraw/zinc/02/91/24/515029124.db2.gz IQCOMYGVSHPYKQ-MRXNPFEDSA-N 0 3 374.416 2.741 20 5 FFBDHN CCN1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462441383 515053759 /nfs/dbraw/zinc/05/37/59/515053759.db2.gz NOOORFQYKFPPEL-MRXNPFEDSA-N 0 3 356.426 2.887 20 5 FFBDHN Cc1nc2sccn2c(=O)c1CCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000509360987 515140571 /nfs/dbraw/zinc/14/05/71/515140571.db2.gz YMPQYCAQVHXLQU-UHFFFAOYSA-N 0 3 370.434 2.573 20 5 FFBDHN C[C@H](N[C@@H]1CCN(C(=O)COc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000509531886 515221345 /nfs/dbraw/zinc/22/13/45/515221345.db2.gz GTOXLHXDKUGNIN-DOTOQJQBSA-N 0 3 369.421 2.925 20 5 FFBDHN COC(=O)CCCN1CCC(NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000462895856 515287699 /nfs/dbraw/zinc/28/76/99/515287699.db2.gz NLOAEVQZKWZDFI-UHFFFAOYSA-N 0 3 369.849 2.755 20 5 FFBDHN CCCN1CCC(CNS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)CC1 ZINC000481337812 515295962 /nfs/dbraw/zinc/29/59/62/515295962.db2.gz CMQGICCFOZJPOU-UHFFFAOYSA-N 0 3 369.487 2.612 20 5 FFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000481388075 515311827 /nfs/dbraw/zinc/31/18/27/515311827.db2.gz CNZRFEKFJSZRIW-HUUCEWRRSA-N 0 3 369.487 2.705 20 5 FFBDHN COc1ccc(NC(=O)CCN2CCC(C(F)F)CC2)c([N+](=O)[O-])c1 ZINC000486120670 515342418 /nfs/dbraw/zinc/34/24/18/515342418.db2.gz NGRHBOUJUBSNDL-UHFFFAOYSA-N 0 3 357.357 2.909 20 5 FFBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000468468297 515372392 /nfs/dbraw/zinc/37/23/92/515372392.db2.gz QAINQNCICTYZPL-KRWDZBQOSA-N 0 3 371.441 2.631 20 5 FFBDHN CC[C@@H]1CCCCN1CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000499658236 515400966 /nfs/dbraw/zinc/40/09/66/515400966.db2.gz LNSWZOGIJCSXPH-MRXNPFEDSA-N 0 3 358.442 2.930 20 5 FFBDHN CC(C)O[C@@H]1C[C@@H](N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1(C)C ZINC000463401865 515478170 /nfs/dbraw/zinc/47/81/70/515478170.db2.gz BUSDEFQYHFMRSQ-GVDBMIGSSA-N 0 3 361.442 2.882 20 5 FFBDHN COc1cc(CN2C[C@H](C)N(C)C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000505627285 515613834 /nfs/dbraw/zinc/61/38/34/515613834.db2.gz BXKANRXTAPVJIS-NWDGAFQWSA-N 0 3 373.400 2.772 20 5 FFBDHN C[C@H](N[C@H]1CCC[C@@]1(C)CO)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000493526132 515639807 /nfs/dbraw/zinc/63/98/07/515639807.db2.gz MTLGHWFUDHJMBA-FSBGKCOPSA-N 0 3 355.822 2.716 20 5 FFBDHN C[C@@H]1[C@H](NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCCN1C ZINC000454785931 515743272 /nfs/dbraw/zinc/74/32/72/515743272.db2.gz NDKQJPWBFVVXRU-UWWQBHOKSA-N 0 3 360.458 2.967 20 5 FFBDHN Cc1cc(C)c(S(=O)(=O)NCC(C)(C)CN2CCCC2)cc1[N+](=O)[O-] ZINC000494402114 515832126 /nfs/dbraw/zinc/83/21/26/515832126.db2.gz BTNRKTGIHPXZIE-UHFFFAOYSA-N 0 3 369.487 2.612 20 5 FFBDHN CN(C)CCN(Cc1ccccn1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000500777772 515855646 /nfs/dbraw/zinc/85/56/46/515855646.db2.gz ULJQHMAQVUNTDV-UHFFFAOYSA-N 0 3 367.409 2.675 20 5 FFBDHN C[C@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCCC[C@H]1C ZINC000478555441 515868563 /nfs/dbraw/zinc/86/85/63/515868563.db2.gz GBNRWGPDGBDBFG-HUUCEWRRSA-N 0 3 371.441 2.773 20 5 FFBDHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@H]1CCCCN1C1CC1 ZINC000487611991 515921325 /nfs/dbraw/zinc/92/13/25/515921325.db2.gz WVVUPYVDSDYIOF-GFCCVEGCSA-N 0 3 353.369 2.549 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](Oc2ccncc2)C1 ZINC000469741240 515948099 /nfs/dbraw/zinc/94/80/99/515948099.db2.gz GAMFGJHQTPRDTC-KRWDZBQOSA-N 0 3 370.409 2.780 20 5 FFBDHN C[C@@H](CO)N1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000470135464 516136494 /nfs/dbraw/zinc/13/64/94/516136494.db2.gz UILLMSXRXZVFSG-HNNXBMFYSA-N 0 3 359.426 2.743 20 5 FFBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000512118137 516159639 /nfs/dbraw/zinc/15/96/39/516159639.db2.gz GNSNPHMBQWVICG-VXGBXAGGSA-N 0 3 367.833 2.782 20 5 FFBDHN CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)N1CCc2ccccc2C1 ZINC000501817998 516235262 /nfs/dbraw/zinc/23/52/62/516235262.db2.gz ULDOJFCCZOARNX-GOSISDBHSA-N 0 3 370.453 2.746 20 5 FFBDHN CCn1cc([C@@H]2NC(=O)CC[C@H]2N[C@@H](C)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000488502522 516243118 /nfs/dbraw/zinc/24/31/18/516243118.db2.gz IIZYAPPALXUFHN-CRFBAAHOSA-N 0 3 371.441 2.790 20 5 FFBDHN CC(C)NC(=O)c1ccc(N2CCN([C@H]3C[C@@H]3C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000488716167 516292512 /nfs/dbraw/zinc/29/25/12/516292512.db2.gz QYQXYXXDHYYAHS-VKJFTORMSA-N 0 3 374.485 2.900 20 5 FFBDHN C[C@@H]1C[C@H]1N1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H](C)C1 ZINC000488715896 516293125 /nfs/dbraw/zinc/29/31/25/516293125.db2.gz BRBPHCLHAMHVMF-WOSRLPQWSA-N 0 3 357.414 2.811 20 5 FFBDHN COc1ccc(CNC(=O)NCCN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000523204239 516407754 /nfs/dbraw/zinc/40/77/54/516407754.db2.gz CYEWJHYQRPCODT-UHFFFAOYSA-N 0 3 372.425 2.535 20 5 FFBDHN CCCN1CCC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000557744248 516415835 /nfs/dbraw/zinc/41/58/35/516415835.db2.gz YKMYWKVSPVBEJY-AWEZNQCLSA-N 0 3 372.425 2.512 20 5 FFBDHN Nc1nccc(C(=O)Nc2cccc(CN3CCCCC3)c2)c1[N+](=O)[O-] ZINC000547729776 516525000 /nfs/dbraw/zinc/52/50/00/516525000.db2.gz BZBVQWOWHUULPR-UHFFFAOYSA-N 0 3 355.398 2.641 20 5 FFBDHN C[C@]1(c2ccccc2)CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000544144006 516611908 /nfs/dbraw/zinc/61/19/08/516611908.db2.gz MEFUQULTKIVYCV-XLIONFOSSA-N 0 3 356.422 2.998 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000548079953 516749977 /nfs/dbraw/zinc/74/99/77/516749977.db2.gz IIZFRKFZGNGBHX-UHFFFAOYSA-N 0 3 350.419 2.942 20 5 FFBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H](C)C1 ZINC000561760646 516754741 /nfs/dbraw/zinc/75/47/41/516754741.db2.gz IGDWIAYLRLJGFQ-AHIWAGSCSA-N 0 3 356.426 2.878 20 5 FFBDHN CC(C)(C)N1CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000524696776 516792409 /nfs/dbraw/zinc/79/24/09/516792409.db2.gz DUGSWXJWRWEJHU-UHFFFAOYSA-N 0 3 372.425 2.795 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000555231721 516841103 /nfs/dbraw/zinc/84/11/03/516841103.db2.gz YFTVSWTUGQZKKJ-INIZCTEOSA-N 0 3 362.817 2.984 20 5 FFBDHN C[C@H](C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000519062490 516872053 /nfs/dbraw/zinc/87/20/53/516872053.db2.gz YXEGNPXYDUZUNO-XHSDSOJGSA-N 0 3 363.458 2.704 20 5 FFBDHN Cc1cc(N2CCN(Cc3cnn(C)c3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000541172557 516912124 /nfs/dbraw/zinc/91/21/24/516912124.db2.gz FARJOGJMSBQUMA-UHFFFAOYSA-N 0 3 366.425 2.507 20 5 FFBDHN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(C)[C@H](C(C)C)C1 ZINC000558859541 516974352 /nfs/dbraw/zinc/97/43/52/516974352.db2.gz DXAXLVDPFUBCAI-INIZCTEOSA-N 0 3 358.446 2.650 20 5 FFBDHN COc1ccc([C@@H](CN(C)C)NC(=O)NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000562294258 517013595 /nfs/dbraw/zinc/01/35/95/517013595.db2.gz VNYULIMYDOEVBB-GOSISDBHSA-N 0 3 372.425 2.706 20 5 FFBDHN CN(Cc1ccccc1)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000548501867 517021125 /nfs/dbraw/zinc/02/11/25/517021125.db2.gz LGPSSVOXRRNATK-SFHVURJKSA-N 0 3 354.410 2.630 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCCN(C)Cc1ccncc1 ZINC000552112660 517087129 /nfs/dbraw/zinc/08/71/29/517087129.db2.gz OMZFDVXNDHZSRT-UHFFFAOYSA-N 0 3 372.425 2.593 20 5 FFBDHN CN(C)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2F)Cc2ccccc2C1 ZINC000525608843 517087631 /nfs/dbraw/zinc/08/76/31/517087631.db2.gz NTAQIIPTQDDHET-UHFFFAOYSA-N 0 3 357.385 2.563 20 5 FFBDHN CCC[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCN1Cc1ccccc1 ZINC000537221245 517094932 /nfs/dbraw/zinc/09/49/32/517094932.db2.gz RPKQIZSDSNBUKC-SFHVURJKSA-N 0 3 357.458 2.778 20 5 FFBDHN COC(=O)[C@@H]1CCCC[C@]1(C)NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000537273448 517120125 /nfs/dbraw/zinc/12/01/25/517120125.db2.gz JMOHNZSZJFOMPU-UGSOOPFHSA-N 0 3 363.414 2.553 20 5 FFBDHN CS(=O)(=O)[C@@H]1CCC[C@@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000562603484 517227987 /nfs/dbraw/zinc/22/79/87/517227987.db2.gz LSXVZVLTDZGTGD-UNEWFSDZSA-N 0 3 352.456 2.918 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2C[C@H](O)CN2Cc2ccccc2)n1 ZINC000541935059 517299463 /nfs/dbraw/zinc/29/94/63/517299463.db2.gz BPAXRBXKUCJQLU-SJORKVTESA-N 0 3 356.426 2.654 20 5 FFBDHN COC(=O)c1cc(C)nc(NC[C@H](c2ccc(C)cc2)N(C)C)c1[N+](=O)[O-] ZINC000559612958 517341332 /nfs/dbraw/zinc/34/13/32/517341332.db2.gz ALNKUOGLEHBBAT-MRXNPFEDSA-N 0 3 372.425 2.530 20 5 FFBDHN CCN(Cc1ccc2c(c1)OCO2)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000520452926 517399960 /nfs/dbraw/zinc/39/99/60/517399960.db2.gz LPKZQRLVHNPPDT-HNNXBMFYSA-N 0 3 374.393 2.585 20 5 FFBDHN COCCO[C@H]1CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000549411218 517551178 /nfs/dbraw/zinc/55/11/78/517551178.db2.gz ZJGZMEILGREZDS-SFHVURJKSA-N 0 3 374.441 2.623 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2C[C@H]2C2CCCCC2)cc1 ZINC000516278426 517646894 /nfs/dbraw/zinc/64/68/94/517646894.db2.gz UPTFSVNORADEMM-DLBZAZTESA-N 0 3 352.456 2.927 20 5 FFBDHN C[C@H]1Cc2ccccc2[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000542666928 517678156 /nfs/dbraw/zinc/67/81/56/517678156.db2.gz ZTWXIDITPWIGPG-UGSOOPFHSA-N 0 3 360.435 2.892 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)C2CCN(C(C)C)CC2)c1 ZINC000542751380 517715880 /nfs/dbraw/zinc/71/58/80/517715880.db2.gz PKMJTQQZUPXDFC-UHFFFAOYSA-N 0 3 369.487 2.705 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](CO)c1cccc(F)c1 ZINC000542879140 517794321 /nfs/dbraw/zinc/79/43/21/517794321.db2.gz KKGCOOFOYUDCJP-KRWDZBQOSA-N 0 3 361.373 2.694 20 5 FFBDHN CC[C@@H](C)N[C@@H](CNc1nc(C(=O)OC)ccc1[N+](=O)[O-])c1ccco1 ZINC000553601487 517803824 /nfs/dbraw/zinc/80/38/24/517803824.db2.gz MZUAVZYHZSLOIM-YPMHNXCESA-N 0 3 362.386 2.911 20 5 FFBDHN C[C@@H](CNC[C@H](O)COc1ccccc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000521862583 517879008 /nfs/dbraw/zinc/87/90/08/517879008.db2.gz FRFRDNZXNNWNBN-ZFWWWQNUSA-N 0 3 364.373 2.531 20 5 FFBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN([C@H]3CCN(Cc4ccccc4)C3)C2)nc1 ZINC000560729797 517991547 /nfs/dbraw/zinc/99/15/47/517991547.db2.gz OTBMXCOGLQDGPD-HKUYNNGSSA-N 0 3 367.453 2.751 20 5 FFBDHN CCN(CCN1CCCCCC1)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000517160804 518045914 /nfs/dbraw/zinc/04/59/14/518045914.db2.gz KJZMIEUEJOZHFG-UHFFFAOYSA-N 0 3 351.451 2.779 20 5 FFBDHN CCN(CCN1CCCCCC1)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000517160804 518045920 /nfs/dbraw/zinc/04/59/20/518045920.db2.gz KJZMIEUEJOZHFG-UHFFFAOYSA-N 0 3 351.451 2.779 20 5 FFBDHN C[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC[C@H]1C ZINC000535371126 518177032 /nfs/dbraw/zinc/17/70/32/518177032.db2.gz FEGMICBIGZKLSS-KGLIPLIRSA-N 0 3 358.442 2.998 20 5 FFBDHN C[C@H]1C[C@H](N(C)C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CCN1C ZINC000578569177 518269390 /nfs/dbraw/zinc/26/93/90/518269390.db2.gz MJMZNQQUDIBHSM-DZGCQCFKSA-N 0 3 373.457 2.743 20 5 FFBDHN COC(=O)COc1cccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000567061513 518334106 /nfs/dbraw/zinc/33/41/06/518334106.db2.gz YRZUBYKJICJIPR-KRWDZBQOSA-N 0 3 356.378 2.924 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000576082151 518418866 /nfs/dbraw/zinc/41/88/66/518418866.db2.gz CQBICGSREIFXAW-HNNXBMFYSA-N 0 3 356.426 2.527 20 5 FFBDHN COC(=O)c1ccc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000584775910 518472501 /nfs/dbraw/zinc/47/25/01/518472501.db2.gz WOVAHUOEPQYCMB-UHFFFAOYSA-N 0 3 363.395 2.561 20 5 FFBDHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000584850578 518508132 /nfs/dbraw/zinc/50/81/32/518508132.db2.gz HOXRPZIKJVGBEN-MRXNPFEDSA-N 0 3 371.441 2.521 20 5 FFBDHN Cc1ccccc1O[C@@H](C)CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000576272462 518512481 /nfs/dbraw/zinc/51/24/81/518512481.db2.gz YWFVUDXSSRSZSJ-RDJZCZTQSA-N 0 3 360.410 2.700 20 5 FFBDHN O=[N+]([O-])c1ccc(CCN(Cc2ccccc2)[C@@]2(CO)CCOC2)cc1 ZINC000585718545 518574110 /nfs/dbraw/zinc/57/41/10/518574110.db2.gz KUTUSPJIHIWYPO-HXUWFJFHSA-N 0 3 356.422 2.791 20 5 FFBDHN CCN(C[C@@H]1CCCN1CC)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000582081314 518579219 /nfs/dbraw/zinc/57/92/19/518579219.db2.gz APAATHDRIUYROC-KRWDZBQOSA-N 0 3 371.441 2.727 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H](CO)C3CCOCC3)cs2)c1 ZINC000570425849 518601656 /nfs/dbraw/zinc/60/16/56/518601656.db2.gz FKPJJBNDPBTLPU-INIZCTEOSA-N 0 3 363.439 2.595 20 5 FFBDHN CCN1CCCC[C@H]1CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000582202868 518635203 /nfs/dbraw/zinc/63/52/03/518635203.db2.gz FWKZBPLNYPXLHM-INIZCTEOSA-N 0 3 373.457 2.792 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC[C@H](O)Cc1cccc(Cl)c1 ZINC000582296046 518685116 /nfs/dbraw/zinc/68/51/16/518685116.db2.gz JVPBIRRNXFHFJX-MRXNPFEDSA-N 0 3 350.802 2.950 20 5 FFBDHN C[C@H](COc1cccc(F)c1)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570675629 518726950 /nfs/dbraw/zinc/72/69/50/518726950.db2.gz PRYOFAGWJFRLKP-UKRRQHHQSA-N 0 3 364.373 2.531 20 5 FFBDHN CC[C@@H](C)N[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000588765918 518824502 /nfs/dbraw/zinc/82/45/02/518824502.db2.gz FHGQHOUTKHLRPW-KGLIPLIRSA-N 0 3 361.398 2.812 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(CN(C)C)cc1 ZINC000576916394 518825303 /nfs/dbraw/zinc/82/53/03/518825303.db2.gz HZRHULOZHAKEQN-UHFFFAOYSA-N 0 3 370.409 2.796 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000588771277 518826176 /nfs/dbraw/zinc/82/61/76/518826176.db2.gz QVYRHTPJOAYVRA-KBXCAEBGSA-N 0 3 369.421 2.996 20 5 FFBDHN C[C@@]1(NC(=O)COc2ccccc2[N+](=O)[O-])CCN(Cc2ccccc2)C1 ZINC000568011308 518830527 /nfs/dbraw/zinc/83/05/27/518830527.db2.gz JCOQRJPOQFOKEA-HXUWFJFHSA-N 0 3 369.421 2.754 20 5 FFBDHN CC(=O)N1C[C@@H]2CCC[C@H](NCc3c(Cl)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000588979418 518887863 /nfs/dbraw/zinc/88/78/63/518887863.db2.gz RSNAEOZNOMPZQB-NOLJZWGESA-N 0 3 351.834 2.985 20 5 FFBDHN O=[N+]([O-])c1cc(N2CCN(C[C@@H]3CCOC3)CC2)ccc1C(F)(F)F ZINC000589113807 518918492 /nfs/dbraw/zinc/91/84/92/518918492.db2.gz SUVRERISPGZPFL-LBPRGKRZSA-N 0 3 359.348 2.772 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCN1C ZINC000583057228 519053362 /nfs/dbraw/zinc/05/33/62/519053362.db2.gz LDXZDONIXGXTSP-ZJUUUORDSA-N 0 3 358.345 2.800 20 5 FFBDHN COc1ccc(NC(=O)CCN2CC[C@H](c3cccnc3)C2)c([N+](=O)[O-])c1 ZINC000583141158 519097315 /nfs/dbraw/zinc/09/73/15/519097315.db2.gz ZMHBITYFKFGQEZ-HNNXBMFYSA-N 0 3 370.409 2.817 20 5 FFBDHN C[C@@H](c1ccccc1)[C@@H](NCCCOc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000590000482 519124773 /nfs/dbraw/zinc/12/47/73/519124773.db2.gz GLRAVSGOJCOAEO-KBXCAEBGSA-N 0 3 357.410 2.611 20 5 FFBDHN CN1CCN(c2ncccc2CN[C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000565844568 519160405 /nfs/dbraw/zinc/16/04/05/519160405.db2.gz XUOGPHWZDCLTGN-SFHVURJKSA-N 0 3 367.453 2.519 20 5 FFBDHN NC[C@@H]1c2ccccc2CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000566258840 519397129 /nfs/dbraw/zinc/39/71/29/519397129.db2.gz DWZUDWWMOSEIKS-LJQANCHMSA-N 0 3 368.437 2.872 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](c2cccnc2)C1 ZINC000578234703 519489397 /nfs/dbraw/zinc/48/93/97/519489397.db2.gz OCGIEHRYWMLFDF-OAHLLOKOSA-N 0 3 370.409 2.817 20 5 FFBDHN C[C@H]1CCCCN1CCNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000578378712 519562645 /nfs/dbraw/zinc/56/26/45/519562645.db2.gz NATDIKHUYVSEBY-AWEZNQCLSA-N 0 3 366.437 2.857 20 5 FFBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H]1CN(c2ccccc2)CCO1 ZINC000584061112 519571638 /nfs/dbraw/zinc/57/16/38/519571638.db2.gz AXZVEDLVPAYKKR-IBGZPJMESA-N 0 3 355.438 2.975 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CCCN3CCCC[C@@H]23)c1 ZINC000594420536 519956697 /nfs/dbraw/zinc/95/66/97/519956697.db2.gz WGCQUQRGERUJIA-HOTGVXAUSA-N 0 3 361.442 2.805 20 5 FFBDHN CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000599986208 519985311 /nfs/dbraw/zinc/98/53/11/519985311.db2.gz QYZJASKHSWFLQY-UHFFFAOYSA-N 0 3 370.247 2.914 20 5 FFBDHN COc1cncc(/C=C/CCN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC000602963321 519996752 /nfs/dbraw/zinc/99/67/52/519996752.db2.gz VICQMDZRDWPCEA-NAASZUNDSA-N 0 3 357.410 2.899 20 5 FFBDHN CO[C@@](C)(CO)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000594512212 520007728 /nfs/dbraw/zinc/00/77/28/520007728.db2.gz VAGJTAPPKGIKBE-MRXNPFEDSA-N 0 3 354.790 2.995 20 5 FFBDHN Cn1ncc(C2CCC2)c1CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000594731094 520118725 /nfs/dbraw/zinc/11/87/25/520118725.db2.gz FJWPIHNYVDPUNY-UHFFFAOYSA-N 0 3 357.414 2.714 20 5 FFBDHN COc1cc(CNC[C@H]2C[C@@H](OC)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000600214311 520131701 /nfs/dbraw/zinc/13/17/01/520131701.db2.gz VQYUURHYXSPKTO-KLPPZKSPSA-N 0 3 360.357 2.762 20 5 FFBDHN Cc1ccnc(CN2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)c1 ZINC000616775524 520135201 /nfs/dbraw/zinc/13/52/01/520135201.db2.gz BJBNUCSGSHZGGN-UHFFFAOYSA-N 0 3 366.425 2.887 20 5 FFBDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000608854601 520145394 /nfs/dbraw/zinc/14/53/94/520145394.db2.gz PDLDIRASNZLGGU-LLVKDONJSA-N 0 3 352.410 2.556 20 5 FFBDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1ccc(NC3CC3)c([N+](=O)[O-])c1)C2 ZINC000597715574 520192994 /nfs/dbraw/zinc/19/29/94/520192994.db2.gz MUYOMLQNLVCPIS-LJQANCHMSA-N 0 3 358.442 2.727 20 5 FFBDHN Cn1ccc(CN(Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)cc1=O ZINC000592131313 520206772 /nfs/dbraw/zinc/20/67/72/520206772.db2.gz XGFOFOWGVLEKQC-IYARVYRRSA-N 0 3 371.437 2.599 20 5 FFBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000609187728 520223253 /nfs/dbraw/zinc/22/32/53/520223253.db2.gz KPXZIMDNQSRISZ-OAHLLOKOSA-N 0 3 361.398 2.524 20 5 FFBDHN COc1cc(CNC/C=C/CO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000594973503 520236625 /nfs/dbraw/zinc/23/66/25/520236625.db2.gz DGXLIVIKLCRGHH-NSCUHMNNSA-N 0 3 358.394 2.821 20 5 FFBDHN COc1cc(CNC[C@@H]2CCN2Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000594998003 520250068 /nfs/dbraw/zinc/25/00/68/520250068.db2.gz DQNJYNRDAWUKIR-KRWDZBQOSA-N 0 3 371.437 2.976 20 5 FFBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2cnc(C(F)(F)F)nc2)n1 ZINC000595058534 520271599 /nfs/dbraw/zinc/27/15/99/520271599.db2.gz CODOYIOPPXSZND-NWDGAFQWSA-N 0 3 370.335 2.874 20 5 FFBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCN1C1CCCC1 ZINC000600470924 520279102 /nfs/dbraw/zinc/27/91/02/520279102.db2.gz JRBBCIKYCGJDFZ-SFHVURJKSA-N 0 3 360.458 2.920 20 5 FFBDHN O=C(NC[C@@H]1CCN1C1CCCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000600474034 520281951 /nfs/dbraw/zinc/28/19/51/520281951.db2.gz WLUCLYWCQKLLRI-AWEZNQCLSA-N 0 3 354.410 2.890 20 5 FFBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000597861757 520288769 /nfs/dbraw/zinc/28/87/69/520288769.db2.gz WXLBVMSPIWIEJG-CQSZACIVSA-N 0 3 357.414 2.588 20 5 FFBDHN Cn1cnc(CCCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000592373473 520355663 /nfs/dbraw/zinc/35/56/63/520355663.db2.gz SIYKAARQQGXUPP-UHFFFAOYSA-N 0 3 358.427 2.569 20 5 FFBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000609549650 520355722 /nfs/dbraw/zinc/35/57/22/520355722.db2.gz GBCDLUBNQNFCCC-STQMWFEESA-N 0 3 372.425 2.841 20 5 FFBDHN COc1ccc(OCCN2CC[C@@H](Cc3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000613178711 520371860 /nfs/dbraw/zinc/37/18/60/520371860.db2.gz WDYATMKAUVBNRW-INIZCTEOSA-N 0 3 357.410 2.942 20 5 FFBDHN CCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1CCN(CC)C1 ZINC000598038255 520387521 /nfs/dbraw/zinc/38/75/21/520387521.db2.gz BOJCAYBNGNGQOW-LBPRGKRZSA-N 0 3 370.247 2.914 20 5 FFBDHN CCOC(=O)c1ccnc(NCCN2[C@H](C)CCC[C@H]2C)c1[N+](=O)[O-] ZINC000609963823 520491092 /nfs/dbraw/zinc/49/10/92/520491092.db2.gz PXQXXWYVIQECFR-CHWSQXEVSA-N 0 3 350.419 2.841 20 5 FFBDHN COc1cc(C(=O)N[C@H](C)CN2CCC(C)CC2)c([N+](=O)[O-])cc1F ZINC000598261866 520525901 /nfs/dbraw/zinc/52/59/01/520525901.db2.gz HHSUBKCPEYWTQB-GFCCVEGCSA-N 0 3 353.394 2.593 20 5 FFBDHN Cc1ccc(CNC[C@]2(O)CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000610162186 520564296 /nfs/dbraw/zinc/56/42/96/520564296.db2.gz FWMAWSFKENIJMA-HXUWFJFHSA-N 0 3 355.438 2.630 20 5 FFBDHN CCCN1CC[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000598341916 520564527 /nfs/dbraw/zinc/56/45/27/520564527.db2.gz IFQMAXHRPLDISZ-LBPRGKRZSA-N 0 3 357.863 2.941 20 5 FFBDHN CCCN1CC[C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000598342195 520567124 /nfs/dbraw/zinc/56/71/24/520567124.db2.gz JYOGFPYXUUXYFF-ZDUSSCGKSA-N 0 3 355.822 2.618 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H](c3cc4ccccc4[nH]3)C2)c1 ZINC000610392186 520663107 /nfs/dbraw/zinc/66/31/07/520663107.db2.gz ALPZMZZSBXXEMV-RDJZCZTQSA-N 0 3 369.425 2.513 20 5 FFBDHN CC1(N2CCOCC2)CCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601202555 520684330 /nfs/dbraw/zinc/68/43/30/520684330.db2.gz CLDWARJOFAYYDW-UHFFFAOYSA-N 0 3 356.426 2.834 20 5 FFBDHN CN(C)CCOc1cccc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000593032192 520694871 /nfs/dbraw/zinc/69/48/71/520694871.db2.gz LLNQMJQJKWJJHG-UHFFFAOYSA-N 0 3 361.373 2.856 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](C(C)C)C2(CO)CCC2)c1 ZINC000593032328 520696436 /nfs/dbraw/zinc/69/64/36/520696436.db2.gz XOYSIWOZFZHNFU-INIZCTEOSA-N 0 3 350.415 2.658 20 5 FFBDHN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCCN(c2ccncc2)CC1 ZINC000601250647 520708000 /nfs/dbraw/zinc/70/80/00/520708000.db2.gz MHOUEARDTGHBRM-UHFFFAOYSA-N 0 3 359.361 2.873 20 5 FFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCN[C@H](C(C)C)C1 ZINC000598574735 520718815 /nfs/dbraw/zinc/71/88/15/520718815.db2.gz STJYGPMKZCWSHR-AWEZNQCLSA-N 0 3 370.247 2.736 20 5 FFBDHN CNc1ccc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc1[N+](=O)[O-] ZINC000595944036 520833598 /nfs/dbraw/zinc/83/35/98/520833598.db2.gz UDGIOONDWCKLKN-QGZVFWFLSA-N 0 3 356.382 2.550 20 5 FFBDHN O=C(Nc1ccc([N+](=O)[O-])cc1F)C(C[C@H]1COCCO1)C(F)(F)F ZINC000598807790 520852588 /nfs/dbraw/zinc/85/25/88/520852588.db2.gz LNIHNBAIOWGMDM-VHSXEESVSA-N 0 3 366.267 2.656 20 5 FFBDHN NC(=O)c1cc(NC[C@H](c2ccccc2)N2CCCC2)ccc1[N+](=O)[O-] ZINC000596053055 520880609 /nfs/dbraw/zinc/88/06/09/520880609.db2.gz LFVPCGCGPPVVCR-GOSISDBHSA-N 0 3 354.410 2.943 20 5 FFBDHN CC(C)[C@H](O)[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000596065122 520890897 /nfs/dbraw/zinc/89/08/97/520890897.db2.gz DSVWOIZWWXHVSH-DBVUQKKJSA-N 0 3 374.437 2.682 20 5 FFBDHN NC(=O)c1cc(NCCCN2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000596073908 520895375 /nfs/dbraw/zinc/89/53/75/520895375.db2.gz FJPYUSWREIXYGV-UHFFFAOYSA-N 0 3 354.410 2.554 20 5 FFBDHN CC(C)c1n[nH]c(C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000610923693 520906760 /nfs/dbraw/zinc/90/67/60/520906760.db2.gz WOYVWPQHZNKFCR-OAHLLOKOSA-N 0 3 371.441 2.788 20 5 FFBDHN CC(C)c1[nH]nc(C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000610923693 520906770 /nfs/dbraw/zinc/90/67/70/520906770.db2.gz WOYVWPQHZNKFCR-OAHLLOKOSA-N 0 3 371.441 2.788 20 5 FFBDHN COC(=O)c1c(Cl)c(N2C[C@@H](N(C)C)[C@@H](SC)C2)ccc1[N+](=O)[O-] ZINC000596178053 520954003 /nfs/dbraw/zinc/95/40/03/520954003.db2.gz KMSVOLWIDLKIMF-NEPJUHHUSA-N 0 3 373.862 2.517 20 5 FFBDHN Cc1ccc(CNc2ccc(C(=O)NCCN(C)C)cc2)cc1[N+](=O)[O-] ZINC000598991083 520964087 /nfs/dbraw/zinc/96/40/87/520964087.db2.gz HCUHRGZOWSOKEH-UHFFFAOYSA-N 0 3 356.426 2.807 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCN3CC[C@H](O)C3)o2)c(Cl)c1 ZINC000599018480 520981832 /nfs/dbraw/zinc/98/18/32/520981832.db2.gz JNVZDBBIHJSSSS-ZDUSSCGKSA-N 0 3 365.817 2.664 20 5 FFBDHN O=c1[n-]ccc(N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1[N+](=O)[O-] ZINC000596231184 520984582 /nfs/dbraw/zinc/98/45/82/520984582.db2.gz HBFVQBJEOYLURB-LJQANCHMSA-N 0 3 354.410 2.798 20 5 FFBDHN O=c1[n-]ccc(N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1[N+](=O)[O-] ZINC000596231184 520984587 /nfs/dbraw/zinc/98/45/87/520984587.db2.gz HBFVQBJEOYLURB-LJQANCHMSA-N 0 3 354.410 2.798 20 5 FFBDHN COc1cc(N2CCC(N3CCCOCC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596268947 521003082 /nfs/dbraw/zinc/00/30/82/521003082.db2.gz OFOIBOJJMIXNIS-UHFFFAOYSA-N 0 3 369.849 2.948 20 5 FFBDHN Cn1c(=O)oc2ccc(CN[C@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)cc21 ZINC000599078627 521019107 /nfs/dbraw/zinc/01/91/07/521019107.db2.gz DNAFALVVGJAYCM-UONOGXRCSA-N 0 3 371.397 2.510 20 5 FFBDHN C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000611275113 521076543 /nfs/dbraw/zinc/07/65/43/521076543.db2.gz DZXSOFJFPAQGJB-OLVPKOTESA-N 0 3 358.486 2.566 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000618465959 521080644 /nfs/dbraw/zinc/08/06/44/521080644.db2.gz AVTHZJIKIBKGNU-MRXNPFEDSA-N 0 3 361.442 2.620 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CN1CC[C@@H]3[C@H](CCCN3C3CC3)C1)OCCO2 ZINC000611287365 521080728 /nfs/dbraw/zinc/08/07/28/521080728.db2.gz ZUDJVJXEWWGKGD-RHSMWYFYSA-N 0 3 373.453 2.815 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000611370590 521124392 /nfs/dbraw/zinc/12/43/92/521124392.db2.gz KQBZHIMMTBZIEK-GJZGRUSLSA-N 0 3 363.458 2.929 20 5 FFBDHN Cc1c(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000596630228 521177123 /nfs/dbraw/zinc/17/71/23/521177123.db2.gz HHWMJLNDWBEWPF-GHMZBOCLSA-N 0 3 362.304 2.826 20 5 FFBDHN CCc1ccc([C@H](CNc2cc(N)c([N+](=O)[O-])c(CO)c2)N(C)C)cc1 ZINC000611525221 521203272 /nfs/dbraw/zinc/20/32/72/521203272.db2.gz OILOMMNWJACBMY-SFHVURJKSA-N 0 3 358.442 2.947 20 5 FFBDHN CCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCN(C)C1 ZINC000596694856 521227401 /nfs/dbraw/zinc/22/74/01/521227401.db2.gz PDNYRSMBBVDKGZ-NSHDSACASA-N 0 3 358.345 2.754 20 5 FFBDHN CC(C)[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCN1Cc1ccccc1 ZINC000599548066 521288045 /nfs/dbraw/zinc/28/80/45/521288045.db2.gz ALOVAEPCEKLEST-SFHVURJKSA-N 0 3 357.458 2.634 20 5 FFBDHN CN(C)[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1 ZINC000611702529 521288086 /nfs/dbraw/zinc/28/80/86/521288086.db2.gz VNILIBURQRFAJB-KRWDZBQOSA-N 0 3 355.373 2.814 20 5 FFBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2c(Br)cccc2[N+](=O)[O-])CCN1C ZINC000599567842 521304971 /nfs/dbraw/zinc/30/49/71/521304971.db2.gz POBTVZMUECJYRO-MNOVXSKESA-N 0 3 370.247 2.912 20 5 FFBDHN C[C@H]1CCCCN1CCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597095630 521500655 /nfs/dbraw/zinc/50/06/55/521500655.db2.gz YNAGTOVIENTCMX-JTQLQIEISA-N 0 3 355.826 2.826 20 5 FFBDHN CN1CC[C@@]2(CCN(C(=O)Nc3ccc([N+](=O)[O-])c4ccncc34)C2)C1 ZINC000599836793 521503527 /nfs/dbraw/zinc/50/35/27/521503527.db2.gz YKNYJVDXEMFNOE-GOSISDBHSA-N 0 3 355.398 2.703 20 5 FFBDHN COc1ccccc1O[C@H]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602831451 521558263 /nfs/dbraw/zinc/55/82/63/521558263.db2.gz XOMBZEKCWDRYLJ-HNNXBMFYSA-N 0 3 360.414 2.652 20 5 FFBDHN COc1c(C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000619437727 521567083 /nfs/dbraw/zinc/56/70/83/521567083.db2.gz QEHVVZGZAGRSFO-INIZCTEOSA-N 0 3 369.421 2.950 20 5 FFBDHN CCCN1CC[C@@H](NCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000597222721 521582397 /nfs/dbraw/zinc/58/23/97/521582397.db2.gz GFRAWSYMEMXMGA-CYBMUJFWSA-N 0 3 373.400 2.821 20 5 FFBDHN COC(=O)[C@H]1C[C@H](NCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000597241010 521592031 /nfs/dbraw/zinc/59/20/31/521592031.db2.gz AWQDNFQZWJPETI-HAQNSBGRSA-N 0 3 360.366 2.905 20 5 FFBDHN CC(C)[C@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCN1 ZINC000621149950 522661819 /nfs/dbraw/zinc/66/18/19/522661819.db2.gz TTWNCHROASXCBW-GOSISDBHSA-N 0 3 363.461 2.611 20 5 FFBDHN CCOC(=O)[C@@H]1CCCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000026218868 535520922 /nfs/dbraw/zinc/52/09/22/535520922.db2.gz ODJKTBUQEIRPCK-CQSZACIVSA-N 0 3 363.414 2.507 20 5 FFBDHN COc1ccc(NC(=O)Nc2ccn(C3CCN(C)CC3)n2)cc1[N+](=O)[O-] ZINC000488587251 561392366 /nfs/dbraw/zinc/39/23/66/561392366.db2.gz YKVCQUJGYXBQNV-UHFFFAOYSA-N 0 3 374.401 2.711 20 5 FFBDHN C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[N@H+](C)Cc1ccccc1 ZINC000736026168 598676091 /nfs/dbraw/zinc/67/60/91/598676091.db2.gz LUMBTWZFWKPCGL-CYBMUJFWSA-N 0 3 367.413 2.707 20 5 FFBDHN C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[N@@H+](C)Cc1ccccc1 ZINC000736026168 598676092 /nfs/dbraw/zinc/67/60/92/598676092.db2.gz LUMBTWZFWKPCGL-CYBMUJFWSA-N 0 3 367.413 2.707 20 5 FFBDHN C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[N@H+](C)Cc1ccccc1 ZINC000736026168 598676093 /nfs/dbraw/zinc/67/60/93/598676093.db2.gz LUMBTWZFWKPCGL-CYBMUJFWSA-N 0 3 367.413 2.707 20 5 FFBDHN C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[N@@H+](C)Cc1ccccc1 ZINC000736026168 598676094 /nfs/dbraw/zinc/67/60/94/598676094.db2.gz LUMBTWZFWKPCGL-CYBMUJFWSA-N 0 3 367.413 2.707 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cc(-c2nnn[n-]2)cs1 ZINC000826497718 609347214 /nfs/dbraw/zinc/34/72/14/609347214.db2.gz RJPCSQBXCBDROH-UHFFFAOYSA-N 0 3 364.818 2.822 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cc(-c2nn[n-]n2)cs1 ZINC000826497718 609347216 /nfs/dbraw/zinc/34/72/16/609347216.db2.gz RJPCSQBXCBDROH-UHFFFAOYSA-N 0 3 364.818 2.822 20 5 FFBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H]2COc2ccc(Cl)cc2)c1 ZINC000746656305 735502092 /nfs/dbraw/zinc/50/20/92/735502092.db2.gz XHKWGWIDMDDQKH-AWEZNQCLSA-N 0 3 350.806 2.988 20 5 FFBDHN O=[N+]([O-])c1ccc(NC[C@H]2CN3CCC[C@@H]3CO2)c(Br)c1 ZINC000091672575 728461111 /nfs/dbraw/zinc/46/11/11/728461111.db2.gz BMPJQSJHTCPVEQ-NEPJUHHUSA-N 0 3 356.220 2.632 20 5 FFBDHN CN(C)CCN(Cc1ccccn1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134871848 728733558 /nfs/dbraw/zinc/73/35/58/728733558.db2.gz LMKVATCEPMBHDQ-UHFFFAOYSA-N 0 3 362.817 2.847 20 5 FFBDHN C[C@H](CNC(=O)OC(C)(C)C)N(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000171955011 729016093 /nfs/dbraw/zinc/01/60/93/729016093.db2.gz AIUKMNUSBYCFJD-CYBMUJFWSA-N 0 3 353.419 2.819 20 5 FFBDHN CCO[C@H]1COCC[C@@H]1NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000759172969 736552809 /nfs/dbraw/zinc/55/28/09/736552809.db2.gz KRRQKJDJVRBZFK-JSGCOSHPSA-N 0 3 359.220 2.641 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC(N2CCN(C)CC2)CC1 ZINC000866213355 731041311 /nfs/dbraw/zinc/04/13/11/731041311.db2.gz POPMUJJUTMTBCL-UHFFFAOYSA-N 0 3 352.866 2.773 20 5 FFBDHN CCCN1CCC(N(C)S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])CC1 ZINC000866591388 731078356 /nfs/dbraw/zinc/07/83/56/731078356.db2.gz CTEVNUNWMROJAY-UHFFFAOYSA-N 0 3 373.450 2.537 20 5 FFBDHN C[C@@H](OC(=O)C1CC[C@@H](C(F)(F)F)NC1=O)c1ccccc1[N+](=O)[O-] ZINC000873578715 731937755 /nfs/dbraw/zinc/93/77/55/731937755.db2.gz KWHFVYPOTOZOSQ-UISBYWKRSA-N 0 3 360.288 2.656 20 5 FFBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000874832571 732105151 /nfs/dbraw/zinc/10/51/51/732105151.db2.gz FXRPAPWJXNNTGN-OLZOCXBDSA-N 0 3 355.341 2.505 20 5 FFBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000874837188 732106018 /nfs/dbraw/zinc/10/60/18/732106018.db2.gz IZUFOJFYQPPDAK-OLZOCXBDSA-N 0 3 368.231 2.666 20 5 FFBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)c1cc(Br)no1 ZINC000878598232 732562245 /nfs/dbraw/zinc/56/22/45/732562245.db2.gz AKAMYLXXSGSFRB-GFCCVEGCSA-N 0 3 370.203 2.553 20 5 FFBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000881466475 733058429 /nfs/dbraw/zinc/05/84/29/733058429.db2.gz XIRIIRASFGQBJF-NWDGAFQWSA-N 0 3 368.231 2.666 20 5 FFBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000881466474 733058457 /nfs/dbraw/zinc/05/84/57/733058457.db2.gz XIRIIRASFGQBJF-NEPJUHHUSA-N 0 3 368.231 2.666 20 5 FFBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1C[C@H](O)C12CCOCC2 ZINC000927155773 738698115 /nfs/dbraw/zinc/69/81/15/738698115.db2.gz XJBQTCNMHFZXIR-UVBJJODRSA-N 0 3 352.456 2.897 20 5 FFBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H](CO)Cc2ccoc2)c1 ZINC000883269787 733357265 /nfs/dbraw/zinc/35/72/65/733357265.db2.gz WVWMIMVOVMDWFN-GFCCVEGCSA-N 0 3 356.325 2.730 20 5 FFBDHN COC[C@H](NCc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000883295405 733361492 /nfs/dbraw/zinc/36/14/92/733361492.db2.gz HLAAGDFHPUJXTA-OCCSQVGLSA-N 0 3 373.247 2.889 20 5 FFBDHN Cc1ccsc1[C@@H](CO)NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782550902 738733125 /nfs/dbraw/zinc/73/31/25/738733125.db2.gz RVLMAAWDYNPUDB-CQSZACIVSA-N 0 3 367.402 2.756 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1CC[C@]2(CO[C@@H](C)C2)O1 ZINC000886768943 733829506 /nfs/dbraw/zinc/82/95/06/733829506.db2.gz LUDFCKACIPBJKB-ATZCPQFDSA-N 0 3 350.415 2.981 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)ccc1CNC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000894277772 734829482 /nfs/dbraw/zinc/82/94/82/734829482.db2.gz MSPWVOJSUFPDHX-BBRMVZONSA-N 0 3 354.834 2.906 20 5 FFBDHN CC1(C)CCN(CCNC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000900828364 735702156 /nfs/dbraw/zinc/70/21/56/735702156.db2.gz MEWCRFWEFXGOGT-UHFFFAOYSA-N 0 3 370.247 2.819 20 5 FFBDHN C[C@H](NCCNC(=O)c1ccccc1Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788639473 739266894 /nfs/dbraw/zinc/26/68/94/739266894.db2.gz OVMMAUWWQDHWGI-NSHDSACASA-N 0 3 362.817 2.911 20 5 FFBDHN C[C@@H](NCC1CCC(S(C)(=O)=O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000903150781 736042579 /nfs/dbraw/zinc/04/25/79/736042579.db2.gz WACISGJCYQLZMW-PNESKVBLSA-N 0 3 358.435 2.988 20 5 FFBDHN COc1cc([C@@H](C)NC[C@@H]2CC3(CO2)CCOCC3)cc([N+](=O)[O-])c1 ZINC000903212137 736055847 /nfs/dbraw/zinc/05/58/47/736055847.db2.gz KILYREXCCFVDPC-DYVFJYSZSA-N 0 3 350.415 2.840 20 5 FFBDHN CN1CC[C@@](O)(CNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000762815748 736870125 /nfs/dbraw/zinc/87/01/25/736870125.db2.gz IHDBYMGQGJCWAE-GFCCVEGCSA-N 0 3 353.728 2.746 20 5 FFBDHN CCN1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000910282767 737052601 /nfs/dbraw/zinc/05/26/01/737052601.db2.gz HZMYEFLEHIEHQK-NSHDSACASA-N 0 3 370.247 2.914 20 5 FFBDHN C[C@]1(NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CN2CCC1CC2 ZINC000912375164 737297402 /nfs/dbraw/zinc/29/74/02/737297402.db2.gz TTXXHQCZGNWZLF-KRWDZBQOSA-N 0 3 351.834 2.781 20 5 FFBDHN CC(C)[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000915221699 737616496 /nfs/dbraw/zinc/61/64/96/737616496.db2.gz HQFNXFRHGLIUOU-KRWDZBQOSA-N 0 3 369.487 2.630 20 5 FFBDHN O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])C1CCCN(C2CC2)C1=O ZINC000924057208 738365399 /nfs/dbraw/zinc/36/53/99/738365399.db2.gz AOZATIXCXYEABI-ZDUSSCGKSA-N 0 3 352.774 2.692 20 5 FFBDHN C[NH+](C)Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cc1 ZINC000789737434 739383845 /nfs/dbraw/zinc/38/38/45/739383845.db2.gz MMKNGQCTSDTJIT-UHFFFAOYSA-N 0 3 353.375 2.596 20 5 FFBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c2cnn(Cc3cccs3)c2n1 ZINC000813102316 741676759 /nfs/dbraw/zinc/67/67/59/741676759.db2.gz DSQJYKCZWFDXME-NSHDSACASA-N 0 3 360.395 2.672 20 5 FFBDHN CC(COC(=O)C1(c2ccc(Br)cc2)CCOCC1)[N+](=O)[O-] ZINC000813109003 741677785 /nfs/dbraw/zinc/67/77/85/741677785.db2.gz DBWLEFFYUQVDCD-NSHDSACASA-N 0 3 372.215 2.706 20 5 FFBDHN CCc1nc(C(=O)OCC(C)[N+](=O)[O-])nn1-c1c(Cl)cccc1Cl ZINC000813107531 741677818 /nfs/dbraw/zinc/67/78/18/741677818.db2.gz SACJLMHORNVTQB-MRVPVSSYSA-N 0 3 373.196 2.959 20 5 FFBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1cccc(Br)c1 ZINC000813111986 741678270 /nfs/dbraw/zinc/67/82/70/741678270.db2.gz BNXTUAJYFIUUFY-SECBINFHSA-N 0 3 368.187 2.765 20 5 FFBDHN CC(COC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)[N+](=O)[O-] ZINC000813110242 741678307 /nfs/dbraw/zinc/67/83/07/741678307.db2.gz VKAHXPXRXVEDIX-WPRPVWTQSA-N 0 3 361.181 2.555 20 5 FFBDHN Cc1ccc(-n2cnnc2SCC(=O)OCC(C)[N+](=O)[O-])cc1Cl ZINC000813111643 741678530 /nfs/dbraw/zinc/67/85/30/741678530.db2.gz JQOZAQRFLRPACU-SNVBAGLBSA-N 0 3 370.818 2.530 20 5 FFBDHN CC(COC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)[N+](=O)[O-] ZINC000813114946 741678848 /nfs/dbraw/zinc/67/88/48/741678848.db2.gz YFWDCERWADNWKW-SECBINFHSA-N 0 3 360.288 2.654 20 5 FFBDHN CC(COC(=O)C1CCN(c2noc3ccc(Cl)cc32)CC1)[N+](=O)[O-] ZINC000816091092 741993609 /nfs/dbraw/zinc/99/36/09/741993609.db2.gz KTRTXKDYJICRDV-JTQLQIEISA-N 0 3 367.789 2.906 20 5 FFBDHN Cc1cc([C@H](N)CC(=O)NCCc2ccccc2[N+](=O)[O-])cc(Cl)n1 ZINC000830591976 745389667 /nfs/dbraw/zinc/38/96/67/745389667.db2.gz PQQMHJOMWZASIA-CQSZACIVSA-N 0 3 362.817 2.700 20 5 FFBDHN CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](CO)c1ccc(Cl)cc1 ZINC000830896422 745447583 /nfs/dbraw/zinc/44/75/83/745447583.db2.gz DVMOFXQZDNWAPO-SJORKVTESA-N 0 3 350.802 2.947 20 5 FFBDHN CO[C@@H]1C[C@H](N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC000831334460 745516580 /nfs/dbraw/zinc/51/65/80/745516580.db2.gz WHVFPDBVGDNLEX-QCZZGDTMSA-N 0 3 355.822 2.978 20 5 FFBDHN CO[C@@H]([C@@H](C)N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000840779438 747181259 /nfs/dbraw/zinc/18/12/59/747181259.db2.gz BVNDJOUYEBFDOI-FTGAXOIBSA-N 0 3 355.822 2.978 20 5 FFBDHN Cc1cc(S(=O)(=O)N(C)C(C)(C)CN2CCCC2)cc([N+](=O)[O-])c1F ZINC000841573411 747410186 /nfs/dbraw/zinc/41/01/86/747410186.db2.gz XBEDQXLYROACIB-UHFFFAOYSA-N 0 3 373.450 2.537 20 5 FFBDHN Cc1csc(=O)n1CCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845872285 748340538 /nfs/dbraw/zinc/34/05/38/748340538.db2.gz FZFJWUUVFXLIFL-IAQYHMDHSA-N 0 3 368.386 2.697 20 5 FFBDHN CC(C)NC(=O)CCCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873985 748341469 /nfs/dbraw/zinc/34/14/69/748341469.db2.gz GGCXQHDAPWQFEG-SJCJKPOMSA-N 0 3 354.378 2.770 20 5 FFBDHN COC(=O)c1coc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000845879603 748343576 /nfs/dbraw/zinc/34/35/76/748343576.db2.gz VYWDTEWGJGIQJR-YMTOWFKASA-N 0 3 351.286 2.769 20 5 FFBDHN Cc1cc(COCC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])on1 ZINC000845884097 748345039 /nfs/dbraw/zinc/34/50/39/748345039.db2.gz XKNDLHKIXONWJY-MEDUHNTESA-N 0 3 352.318 2.588 20 5 FFBDHN C[C@@H]1COCCN1C1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000846911859 748572942 /nfs/dbraw/zinc/57/29/42/748572942.db2.gz KQICBBFSUSRONK-CYBMUJFWSA-N 0 3 353.850 2.933 20 5 FFBDHN COc1ccc(CN[C@@H](C)CN(C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000850416972 749362082 /nfs/dbraw/zinc/36/20/82/749362082.db2.gz IKCWRQILADGIGZ-LBPRGKRZSA-N 0 3 353.419 2.948 20 5 FFBDHN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000854184431 750258162 /nfs/dbraw/zinc/25/81/62/750258162.db2.gz MPVQZKHBJOSLEC-CYBMUJFWSA-N 0 3 368.821 2.623 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c1C ZINC000896379075 971453495 /nfs/dbraw/zinc/45/34/95/971453495.db2.gz ABAHLSGPUUMUGP-INIZCTEOSA-N 0 3 361.442 2.585 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)c1C ZINC000896379082 971453982 /nfs/dbraw/zinc/45/39/82/971453982.db2.gz ABAHLSGPUUMUGP-MRXNPFEDSA-N 0 3 361.442 2.585 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@H](CO)c2cccc(C(F)(F)F)c2)cc1 ZINC000872216714 1013181718 /nfs/dbraw/zinc/18/17/18/1013181718.db2.gz BRBBSCRWMVPCGP-CVEARBPZSA-N 0 3 370.327 2.970 20 5 FFBDHN O=C(CN[C@@H]1CCOC12CCCCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000933874986 965318363 /nfs/dbraw/zinc/31/83/63/965318363.db2.gz VXICZCVZWYQJJD-QGZVFWFLSA-N 0 3 359.426 2.565 20 5 FFBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000874850093 1013918121 /nfs/dbraw/zinc/91/81/21/1013918121.db2.gz NVRIIWQFORTVQY-WBVHZDCISA-N 0 3 358.442 2.504 20 5 FFBDHN Cc1ccc(CNC(=O)N(CCN(C)C)Cc2ccccn2)cc1[N+](=O)[O-] ZINC000876171499 1014157654 /nfs/dbraw/zinc/15/76/54/1014157654.db2.gz MULVGYVJAGYBNO-UHFFFAOYSA-N 0 3 371.441 2.572 20 5 FFBDHN Cc1ncccc1OC[C@H]1CCCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000842173441 976714665 /nfs/dbraw/zinc/71/46/65/976714665.db2.gz PSEPUHRJAQKREQ-MSOLQXFVSA-N 0 3 357.410 2.875 20 5 FFBDHN CCCCCCNC(=O)[C@H]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000878020659 1014815755 /nfs/dbraw/zinc/81/57/55/1014815755.db2.gz TZKWWCHBCUEXSN-INIZCTEOSA-N 0 3 365.478 2.508 20 5 FFBDHN CC[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cccc(OC)c1OC ZINC000879466540 1015549846 /nfs/dbraw/zinc/54/98/46/1015549846.db2.gz TUHDUANJXOONIQ-HNNXBMFYSA-N 0 3 361.398 2.515 20 5 FFBDHN CC(COC(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1)[N+](=O)[O-] ZINC000813101786 995615509 /nfs/dbraw/zinc/61/55/09/995615509.db2.gz IRKSEQUFDQRYSL-WMLDXEAASA-N 0 3 372.377 2.863 20 5 FFBDHN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813113995 995625478 /nfs/dbraw/zinc/62/54/78/995625478.db2.gz XPDKRVULKXQTIV-NSHDSACASA-N 0 3 356.382 2.640 20 5 FFBDHN CC(C)(C)N1CC[C@H]1COC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000845733426 998640507 /nfs/dbraw/zinc/64/05/07/998640507.db2.gz ARKAULCFYDSCMD-INIZCTEOSA-N 0 3 358.398 2.810 20 5 FFBDHN CC([C@H](OC(=O)Cc1cn2c(n1)CCCC2)c1ccccc1F)[N+](=O)[O-] ZINC000845882040 998678390 /nfs/dbraw/zinc/67/83/90/998678390.db2.gz QIDBNWCGDPOWPM-XIKOKIGWSA-N 0 3 361.373 2.851 20 5 FFBDHN CC([C@@H](OC(=O)Cc1cn2c(n1)CCCC2)c1ccccc1F)[N+](=O)[O-] ZINC000845882036 998678843 /nfs/dbraw/zinc/67/88/43/998678843.db2.gz QIDBNWCGDPOWPM-KZULUSFZSA-N 0 3 361.373 2.851 20 5 FFBDHN Cc1ccc(N2CCC[C@H](NC[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000743463892 999820016 /nfs/dbraw/zinc/82/00/16/999820016.db2.gz YUGJAAOREQJHGE-RBUKOAKNSA-N 0 3 369.421 2.722 20 5 FFBDHN O=C(CN1C2CCCC1CCC2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000744406371 999855605 /nfs/dbraw/zinc/85/56/05/999855605.db2.gz IMTQYTUUGAYYPJ-UHFFFAOYSA-N 0 3 372.469 2.650 20 5 FFBDHN C[C@H]1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)C1 ZINC000744798033 999876289 /nfs/dbraw/zinc/87/62/89/999876289.db2.gz FIOHOQHGTRZRPD-INIZCTEOSA-N 0 3 374.485 2.903 20 5 FFBDHN CC1(C(=O)OCCn2ccc([N+](=O)[O-])n2)CCN(Cc2ccccc2)CC1 ZINC000772713088 1001751588 /nfs/dbraw/zinc/75/15/88/1001751588.db2.gz WIRBEUVJHHUBDX-UHFFFAOYSA-N 0 3 372.425 2.637 20 5 FFBDHN C[C@H](NCc1ccc(CN2CCOCC2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788503750 1001813883 /nfs/dbraw/zinc/81/38/83/1001813883.db2.gz NRLDZRBUXGNAPH-HNNXBMFYSA-N 0 3 370.453 2.860 20 5 FFBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1cc(N(C)C)ccn1 ZINC001183847220 1002410052 /nfs/dbraw/zinc/41/00/52/1002410052.db2.gz XZXXBZDWWBPLJJ-CYBMUJFWSA-N 0 3 357.414 2.563 20 5 FFBDHN CCN1CCN(c2ccc(Nc3c(Cl)cncc3[N+](=O)[O-])cc2)CC1 ZINC001184580561 1002651493 /nfs/dbraw/zinc/65/14/93/1002651493.db2.gz ROTICVFUMVTHET-UHFFFAOYSA-N 0 3 361.833 2.951 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000791395347 1002689074 /nfs/dbraw/zinc/68/90/74/1002689074.db2.gz RQTYWCKWLFZGDE-SJCJKPOMSA-N 0 3 372.400 2.566 20 5 FFBDHN COc1ccc(C[C@@H](C)NCC(=O)N2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC001170297189 1003091277 /nfs/dbraw/zinc/09/12/77/1003091277.db2.gz LUDWCUHLDLUYSX-CQSZACIVSA-N 0 3 369.421 2.713 20 5 FFBDHN COc1ccc(OCCN(C)[C@@H](CO)c2ccccc2C)c([N+](=O)[O-])c1 ZINC001197819257 1004387105 /nfs/dbraw/zinc/38/71/05/1004387105.db2.gz ZQZVWNUQJNSOSF-SFHVURJKSA-N 0 3 360.410 2.956 20 5 FFBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001131095271 1004720461 /nfs/dbraw/zinc/72/04/61/1004720461.db2.gz CTOXBIPYRUKPSR-CYBMUJFWSA-N 0 3 356.426 2.933 20 5 FFBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000776276457 1005343263 /nfs/dbraw/zinc/34/32/63/1005343263.db2.gz NDJBTNCZWHGJGC-HXUWFJFHSA-N 0 3 373.428 2.975 20 5 FFBDHN CC(C)n1cc(C2=CCCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)nn1 ZINC000852135480 1005944627 /nfs/dbraw/zinc/94/46/27/1005944627.db2.gz RSLGTLDNXZOAQR-IBGZPJMESA-N 0 3 371.441 2.980 20 5 FFBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(CO)(c3ccccc3)CC2)cc1 ZINC000814646457 1006390604 /nfs/dbraw/zinc/39/06/04/1006390604.db2.gz FCMFHGFDKKWJLY-LJQANCHMSA-N 0 3 356.422 2.654 20 5 FFBDHN Cc1noc(COC(=O)[C@H]2CCCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000853898228 1006576539 /nfs/dbraw/zinc/57/65/39/1006576539.db2.gz GBBSORBSFYJULA-HNNXBMFYSA-N 0 3 359.382 2.847 20 5 FFBDHN CCCNC(=O)c1cccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000818961401 1007979870 /nfs/dbraw/zinc/97/98/70/1007979870.db2.gz QNMCHEGHQABOLM-SFHVURJKSA-N 0 3 357.410 2.558 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](O)CNCc2ccnc(N3CCCCC3)c2)c1 ZINC000818963833 1007980100 /nfs/dbraw/zinc/98/01/00/1007980100.db2.gz BSDXFWAFHWFFOA-GOSISDBHSA-N 0 3 356.426 2.803 20 5 FFBDHN Cc1ccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c(O[C@@H]2CCOC2)c1 ZINC000819157852 1008046210 /nfs/dbraw/zinc/04/62/10/1008046210.db2.gz YDEKXEVMCYDPEW-RTBURBONSA-N 0 3 372.421 2.894 20 5 FFBDHN O=C1[C@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCN1C1CCCCC1 ZINC000819254859 1008070761 /nfs/dbraw/zinc/07/07/61/1008070761.db2.gz TZMRERJTJRIEJX-MSOLQXFVSA-N 0 3 361.442 2.542 20 5 FFBDHN O=C1[C@@H](N[C@@H]2CCc3ccccc3OC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000509514133 1009528323 /nfs/dbraw/zinc/52/83/23/1009528323.db2.gz CETRXJABDHUPMA-QAPCUYQASA-N 0 3 367.405 2.684 20 5 FFBDHN COc1cc(CNC[C@@H]2c3ccccc3CN2C)c([N+](=O)[O-])cc1OC ZINC000865807557 1010867101 /nfs/dbraw/zinc/86/71/01/1010867101.db2.gz VJYBYKQXABQLBA-QGZVFWFLSA-N 0 3 357.410 2.888 20 5 FFBDHN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CCCc2cccc3ccccc32)C1 ZINC001042710484 1019118176 /nfs/dbraw/zinc/11/81/76/1019118176.db2.gz FOUUTWUNPSGDTH-WOJBJXKFSA-N 0 3 367.449 2.580 20 5 FFBDHN Cc1nccn1CCCN(C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777957699 1020330060 /nfs/dbraw/zinc/33/00/60/1020330060.db2.gz JLDVJZRFJSKAJJ-UHFFFAOYSA-N 0 3 354.414 2.943 20 5 FFBDHN COc1cc(O[C@@H]2CC[NH2+][C@@H](C)C2)c2c(c1)oc1c([O-])ccc(O)c1c2=O ZINC001218052459 1032973770 /nfs/dbraw/zinc/97/37/70/1032973770.db2.gz BJKPHNREQJSPRV-WDEREUQCSA-N 0 3 371.389 2.885 20 5 FFBDHN Cc1cccc(C2=CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1C ZINC000934845917 1021427530 /nfs/dbraw/zinc/42/75/30/1021427530.db2.gz ZQXLTXCXLZVMPM-SFHVURJKSA-N 0 3 356.426 2.558 20 5 FFBDHN CC(COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21)[N+](=O)[O-] ZINC001123042494 1023607876 /nfs/dbraw/zinc/60/78/76/1023607876.db2.gz NDDNAGIUEGEZEG-WCQYABFASA-N 0 3 350.371 2.734 20 5 FFBDHN O=[N+]([O-])c1cc(F)c(Br)c(O[C@@H]2CNCCC2(F)F)c1 ZINC001218452760 1033163100 /nfs/dbraw/zinc/16/31/00/1033163100.db2.gz LEPIYPQIBHIWIE-SECBINFHSA-N 0 3 355.110 2.872 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNCC1(CNC(=O)OC(C)(C)C)CC1 ZINC000838935697 1026541987 /nfs/dbraw/zinc/54/19/87/1026541987.db2.gz HEODSJIXFLMXJS-UHFFFAOYSA-N 0 3 365.430 2.998 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ncn(CN3CCCC[C@@H]3[C@H]3CCC[C@H]3O)n2)cc1 ZINC000840117678 1026965759 /nfs/dbraw/zinc/96/57/59/1026965759.db2.gz WCVCOESDWYUQCK-KZNAEPCWSA-N 0 3 371.441 2.826 20 5 FFBDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001159592158 1027438729 /nfs/dbraw/zinc/43/87/29/1027438729.db2.gz MBXDHMDPVYIEHI-JTQLQIEISA-N 0 3 354.326 2.770 20 5 FFBDHN CC(C)N1CCC[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC001153807238 1028006894 /nfs/dbraw/zinc/00/68/94/1028006894.db2.gz DDDVOHQGIWGPNH-GFCCVEGCSA-N 0 3 357.357 2.799 20 5 FFBDHN CN1CC2(C1)CN(C(=O)[C@@H](N)Cc1c3ccccc3cc3ccccc31)C2 ZINC001161531176 1028215385 /nfs/dbraw/zinc/21/53/85/1028215385.db2.gz BIKMDHJZPGJYAK-NRFANRHFSA-N 0 3 359.473 2.637 20 5 FFBDHN C[C@H](N)c1nc2ccccc2n1-c1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1 ZINC001155257846 1028647661 /nfs/dbraw/zinc/64/76/61/1028647661.db2.gz KKLANBACULYBMP-BCPZQOPPSA-N 0 3 352.398 2.881 20 5 FFBDHN CN(C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccc(Cl)cc1 ZINC001155644161 1028832188 /nfs/dbraw/zinc/83/21/88/1028832188.db2.gz ZGGDKBBPFMHLRL-MRXNPFEDSA-N 0 3 362.817 2.863 20 5 FFBDHN COCCCN1CCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC001165097590 1029386958 /nfs/dbraw/zinc/38/69/58/1029386958.db2.gz NMRJULBIIQFKDB-UHFFFAOYSA-N 0 3 371.441 2.519 20 5 FFBDHN COc1cc2ncnc(N3CCN[C@H](c4ccccc4)C3)c2cc1[N+](=O)[O-] ZINC001157765451 1029658142 /nfs/dbraw/zinc/65/81/42/1029658142.db2.gz RYYPPQITMYDUII-INIZCTEOSA-N 0 3 365.393 2.698 20 5 FFBDHN O=C(Nc1ccc2c(c1)CNC2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841332385 1030205236 /nfs/dbraw/zinc/20/52/36/1030205236.db2.gz OAJUDRLHRZGYAT-UHFFFAOYSA-N 0 3 367.409 2.552 20 5 FFBDHN Cc1cc(CN[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC001203584651 1030771610 /nfs/dbraw/zinc/77/16/10/1030771610.db2.gz YXSCLNIMZVKTLS-IAGOWNOFSA-N 0 3 350.802 2.741 20 5 FFBDHN CCn1ccc(CNC2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)n1 ZINC001256086937 1038371233 /nfs/dbraw/zinc/37/12/33/1038371233.db2.gz IZRFDLUYIDAAQI-UHFFFAOYSA-N 0 3 359.430 2.578 20 5 FFBDHN COc1cc(N2CCC(NCc3cccnc3F)CC2)ccc1[N+](=O)[O-] ZINC001256086882 1038371296 /nfs/dbraw/zinc/37/12/96/1038371296.db2.gz GYZOQIJMQNNQFF-UHFFFAOYSA-N 0 3 360.389 2.896 20 5 FFBDHN COc1cc(N2CCC(NC3(c4cccnn4)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256088022 1038373385 /nfs/dbraw/zinc/37/33/85/1038373385.db2.gz VCWOVBLZRFBSTP-UHFFFAOYSA-N 0 3 369.425 2.641 20 5 FFBDHN COc1cc(N2CCC(N3CCOC[C@H]3C3CC3)CC2)ccc1[N+](=O)[O-] ZINC001256101494 1038388049 /nfs/dbraw/zinc/38/80/49/1038388049.db2.gz LAEBJOJWGQMDMB-SFHVURJKSA-N 0 3 361.442 2.683 20 5 FFBDHN COC(=O)c1ccnc(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001254465515 1040734562 /nfs/dbraw/zinc/73/45/62/1040734562.db2.gz AJBRLVCQTKEEET-UHFFFAOYSA-N 0 3 370.409 2.535 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCCN(c3ccc(F)cn3)CC1)C2 ZINC001254595970 1040824158 /nfs/dbraw/zinc/82/41/58/1040824158.db2.gz AORXEWLIIYQSTL-SFHVURJKSA-N 0 3 356.401 2.808 20 5 FFBDHN COc1cc(O[C@H]2CCN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)ccn1 ZINC001254605393 1040834797 /nfs/dbraw/zinc/83/47/97/1040834797.db2.gz BNQXGHOGWQDNMU-WMZOPIPTSA-N 0 3 355.394 2.619 20 5 FFBDHN Cc1c(-c2nc(-c3ccc4c(n3)CCNC4)no2)cc(F)cc1[N+](=O)[O-] ZINC001216902505 1042159860 /nfs/dbraw/zinc/15/98/60/1042159860.db2.gz NBCOBWWTCOZNIW-UHFFFAOYSA-N 0 3 355.329 2.800 20 5 FFBDHN CN(C)Cc1ccc(-c2noc(-c3ccc(CO)c([N+](=O)[O-])c3)n2)cc1 ZINC001216915300 1042162750 /nfs/dbraw/zinc/16/27/50/1042162750.db2.gz GIWOQNKQSKQMCI-UHFFFAOYSA-N 0 3 354.366 2.866 20 5 FFBDHN Cc1cc(NC[C@H](CO)CC2CCOCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC001322013904 1045913591 /nfs/dbraw/zinc/91/35/91/1045913591.db2.gz PFVVYSAZEPSVER-OAHLLOKOSA-N 0 3 359.426 2.710 20 5 FFBDHN COc1ccccc1[C@@H](CNc1c(C)cncc1[N+](=O)[O-])N1CCCC1 ZINC001322465113 1046094072 /nfs/dbraw/zinc/09/40/72/1046094072.db2.gz IFWUKLMYXIMWFN-MRXNPFEDSA-N 0 3 356.426 2.978 20 5 FFBDHN COc1ccc(CCNCc2cc([N+](=O)[O-])ccc2OC(F)F)cn1 ZINC001328700580 1048426780 /nfs/dbraw/zinc/42/67/80/1048426780.db2.gz RQOYKSGJPYVGJV-UHFFFAOYSA-N 0 3 353.325 2.932 20 5 FFBDHN O=C(Nc1ccc2c(c1)OCCNC2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001328973345 1048538215 /nfs/dbraw/zinc/53/82/15/1048538215.db2.gz QTZXZYZWMSSXMD-UHFFFAOYSA-N 0 3 368.393 2.667 20 5 FFBDHN COc1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001345745511 1052597979 /nfs/dbraw/zinc/59/79/79/1052597979.db2.gz LDGKRACACROXLV-HNNXBMFYSA-N 0 3 370.409 2.999 20 5 FFBDHN Cn1cc(N2CC[C@H](NCc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)cn1 ZINC001352850344 1055863906 /nfs/dbraw/zinc/86/39/06/1055863906.db2.gz RDCVYMHPZHNDLV-ZDUSSCGKSA-N 0 3 369.347 2.716 20 5 FFBDHN C[C@H](COC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCCCC1 ZINC000847964018 1058535182 /nfs/dbraw/zinc/53/51/82/1058535182.db2.gz VVDUPVQWYOAJBQ-CQSZACIVSA-N 0 3 358.398 2.812 20 5 FFBDHN COC(=O)C[C@@](C)(NCCCOc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC001460991628 1061180537 /nfs/dbraw/zinc/18/05/37/1061180537.db2.gz LKZKWBFHSXAVNU-LJQANCHMSA-N 0 3 373.409 2.827 20 5 FFBDHN COc1c(O)ccc(CNC[C@@](C)(O)c2cccc(Cl)c2)c1[N+](=O)[O-] ZINC001462054071 1061489207 /nfs/dbraw/zinc/48/92/07/1061489207.db2.gz MDDHBWIFZOOJKY-QGZVFWFLSA-N 0 3 366.801 2.960 20 5 FFBDHN CN(C)[C@@H](CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC001440670847 1063332044 /nfs/dbraw/zinc/33/20/44/1063332044.db2.gz CRZZNQCNHZDJAL-GOSISDBHSA-N 0 3 373.428 2.956 20 5 FFBDHN CCN(CCNCc1cc(Cl)sc1Cl)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001497391691 1063701848 /nfs/dbraw/zinc/70/18/48/1063701848.db2.gz XITZBJDLJBVQSO-NXEZZACHSA-N 0 3 366.270 2.658 20 5 FFBDHN Nc1c(Cl)cc(C(=O)NC[C@@H]2CCN2C2CCCCC2)cc1[N+](=O)[O-] ZINC001470176735 1064269918 /nfs/dbraw/zinc/26/99/18/1064269918.db2.gz HTPWIOCTIVUMMM-ZDUSSCGKSA-N 0 3 366.849 2.967 20 5 FFBDHN COC(=O)c1ccnc(N[C@H]2CCN(Cc3cccc(C)c3)C2)c1[N+](=O)[O-] ZINC001472844146 1065155548 /nfs/dbraw/zinc/15/55/48/1065155548.db2.gz GKMNKPWRYDBPIS-HNNXBMFYSA-N 0 3 370.409 2.771 20 5 FFBDHN CCO[C@@H]1C[C@H]([NH2+]Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1(CC)CC ZINC001578334708 1078465299 /nfs/dbraw/zinc/46/52/99/1078465299.db2.gz KMKUIINQQYUETQ-JKSUJKDBSA-N 0 3 374.445 2.848 20 5 FFBDHN CCO[C@@H]1C[C@H]([NH2+]Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1(CC)CC ZINC001578334708 1078465300 /nfs/dbraw/zinc/46/53/00/1078465300.db2.gz KMKUIINQQYUETQ-JKSUJKDBSA-N 0 3 374.445 2.848 20 5 FFBDHN CCO[C@H]1C[C@H]([NH2+]Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1(CC)CC ZINC001578334706 1078465329 /nfs/dbraw/zinc/46/53/29/1078465329.db2.gz KMKUIINQQYUETQ-HOTGVXAUSA-N 0 3 374.445 2.848 20 5 FFBDHN CCO[C@H]1C[C@H]([NH2+]Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1(CC)CC ZINC001578334706 1078465333 /nfs/dbraw/zinc/46/53/33/1078465333.db2.gz KMKUIINQQYUETQ-HOTGVXAUSA-N 0 3 374.445 2.848 20 5 FFBDHN COc1c(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cccc1[N+](=O)[O-] ZINC001579135174 1078573154 /nfs/dbraw/zinc/57/31/54/1078573154.db2.gz SWWSQHGZBVGLBK-MRXNPFEDSA-N 0 3 357.366 2.517 20 5 FFBDHN CC[C@@]1(C)CCCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001559563252 1076173191 /nfs/dbraw/zinc/17/31/91/1076173191.db2.gz RUDXKBUFUOHHLV-FQEVSTJZSA-N 0 3 374.485 2.756 20 5 FFBDHN COC(=O)c1ccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1C ZINC001560641541 1076287266 /nfs/dbraw/zinc/28/72/66/1076287266.db2.gz HMGBIKPDKDEHEI-HNNXBMFYSA-N 0 3 370.409 2.771 20 5 FFBDHN CCOc1cc(N2CCN(C[C@@](C)(CC)OC)CC2)ccc1[N+](=O)[O-] ZINC001560801189 1076300779 /nfs/dbraw/zinc/30/07/79/1076300779.db2.gz HWHADTWPJCORFX-GOSISDBHSA-N 0 3 351.447 2.931 20 5 FFBDHN C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001590227455 1081108872 /nfs/dbraw/zinc/10/88/72/1081108872.db2.gz OZFFPCNJZRFHMY-VNHYZAJKSA-N 0 3 371.445 2.617 20 5 FFBDHN C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001590227455 1081108874 /nfs/dbraw/zinc/10/88/74/1081108874.db2.gz OZFFPCNJZRFHMY-VNHYZAJKSA-N 0 3 371.445 2.617 20 5 FFBDHN C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001590227455 1081108878 /nfs/dbraw/zinc/10/88/78/1081108878.db2.gz OZFFPCNJZRFHMY-VNHYZAJKSA-N 0 3 371.445 2.617 20 5 FFBDHN C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001590227455 1081108882 /nfs/dbraw/zinc/10/88/82/1081108882.db2.gz OZFFPCNJZRFHMY-VNHYZAJKSA-N 0 3 371.445 2.617 20 5 FFBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000285704537 257000412 /nfs/dbraw/zinc/00/04/12/257000412.db2.gz WCMFPMPFWJWKCZ-CZUORRHYSA-N 0 3 357.414 2.703 20 5 FFBDHN O=C(Cc1ccccc1[N+](=O)[O-])NCC1CCN(c2ccncc2)CC1 ZINC000093065902 250016207 /nfs/dbraw/zinc/01/62/07/250016207.db2.gz XHRQLEIYMFOUKH-UHFFFAOYSA-N 0 3 354.410 2.565 20 5 FFBDHN CCN1CCN([C@H]2CCN(Cc3ccc(C(C)C)c([N+](=O)[O-])c3)C2)CC1 ZINC000093133041 250018440 /nfs/dbraw/zinc/01/84/40/250018440.db2.gz PZNRGSPIXHETMF-SFHVURJKSA-N 0 3 360.502 2.930 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000192530206 251283019 /nfs/dbraw/zinc/28/30/19/251283019.db2.gz BFVHXFAXLRNLKP-UHFFFAOYSA-N 0 3 373.409 2.933 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCc2ccccc2[C@H]1CO ZINC000268073650 251367273 /nfs/dbraw/zinc/36/72/73/251367273.db2.gz DHMYIJOAHGRUAX-LJQANCHMSA-N 0 3 369.421 2.824 20 5 FFBDHN COc1cc(CNCCn2ccnc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272504587 252054426 /nfs/dbraw/zinc/05/44/26/252054426.db2.gz WFUJUAQINOOJAM-UHFFFAOYSA-N 0 3 370.356 2.542 20 5 FFBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272569924 252070615 /nfs/dbraw/zinc/07/06/15/252070615.db2.gz TULDXKIZZVSERX-DOMZBBRYSA-N 0 3 368.865 2.772 20 5 FFBDHN COc1cc(CNC[C@H]2CCCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272369621 252021682 /nfs/dbraw/zinc/02/16/82/252021682.db2.gz GJXOZRHRJGQERN-LLVKDONJSA-N 0 3 360.357 2.764 20 5 FFBDHN C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C1=CCN(C)CC1 ZINC000272704858 252108475 /nfs/dbraw/zinc/10/84/75/252108475.db2.gz GJDYNASACHZWMK-LLVKDONJSA-N 0 3 352.822 2.698 20 5 FFBDHN CCN1CCCC[C@@H]1CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272584332 252073809 /nfs/dbraw/zinc/07/38/09/252073809.db2.gz YRAWSUXZBQFIFI-QZTJIDSGSA-N 0 3 357.458 2.882 20 5 FFBDHN O=[N+]([O-])c1cccc(OCCN2CCC(c3nnc4n3CCCC4)CC2)c1 ZINC000275020732 255947571 /nfs/dbraw/zinc/94/75/71/255947571.db2.gz UEVBMZRNSLPTOQ-UHFFFAOYSA-N 0 3 371.441 2.781 20 5 FFBDHN COc1cc(C(=O)Nc2ccccc2CCN(C)C)c([N+](=O)[O-])cc1OC ZINC000275592594 256027753 /nfs/dbraw/zinc/02/77/53/256027753.db2.gz FVJWNCQZMTVSPL-UHFFFAOYSA-N 0 3 373.409 2.968 20 5 FFBDHN Cc1noc(C[C@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000277075231 256158719 /nfs/dbraw/zinc/15/87/19/256158719.db2.gz DXPQXGKEKKXLCW-ROUUACIJSA-N 0 3 368.393 2.893 20 5 FFBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NCCCN2CCCO[C@H](C)C2)c1 ZINC000278534309 256322705 /nfs/dbraw/zinc/32/27/05/256322705.db2.gz NPOBTWWYQYCSFZ-CYBMUJFWSA-N 0 3 367.471 2.547 20 5 FFBDHN CCS[C@@H]1CCC[C@@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000286030642 257017043 /nfs/dbraw/zinc/01/70/43/257017043.db2.gz HWHDMHGNJTXDCE-ZUZCIYMTSA-N 0 3 367.427 2.526 20 5 FFBDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000286211558 257025884 /nfs/dbraw/zinc/02/58/84/257025884.db2.gz SPVKOHGGGRNNBS-QGZVFWFLSA-N 0 3 361.373 2.775 20 5 FFBDHN CC(C)NC(=O)c1ccc(N2C[C@@H](N3CCCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000286447010 257037602 /nfs/dbraw/zinc/03/76/02/257037602.db2.gz SZXMXZFOOUIZGG-HOCLYGCPSA-N 0 3 360.458 2.796 20 5 FFBDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000286536712 257041877 /nfs/dbraw/zinc/04/18/77/257041877.db2.gz WGKGQCHZNKBMAW-KBPBESRZSA-N 0 3 367.833 2.574 20 5 FFBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000288393274 257183948 /nfs/dbraw/zinc/18/39/48/257183948.db2.gz MLGRFZGVVLZLDI-TZMCWYRMSA-N 0 3 370.409 2.547 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCCN3c4ccccc4C[C@@H]3C2)c1 ZINC000289403847 257279280 /nfs/dbraw/zinc/27/92/80/257279280.db2.gz GDZWVQIKPIXANS-UYAOXDASSA-N 0 3 353.422 2.765 20 5 FFBDHN C[C@@H]1CN(CCCNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCCO1 ZINC000289618951 257290357 /nfs/dbraw/zinc/29/03/57/257290357.db2.gz JSDMLVTVJMZBHQ-GFCCVEGCSA-N 0 3 370.837 2.871 20 5 FFBDHN CC1(C)CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]1[C@@H]1CCCO1 ZINC000289969455 257309208 /nfs/dbraw/zinc/30/92/08/257309208.db2.gz XELNISAFCGOFOM-DOTOQJQBSA-N 0 3 365.405 2.952 20 5 FFBDHN CS[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@H]1N(C)C ZINC000289524492 257285673 /nfs/dbraw/zinc/28/56/73/257285673.db2.gz CNSHQFBXFIOYEU-VXGBXAGGSA-N 0 3 358.851 2.758 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1N1CCCC1 ZINC000295018220 257612520 /nfs/dbraw/zinc/61/25/20/257612520.db2.gz UNALQMSNDLOELQ-HUUCEWRRSA-N 0 3 369.874 2.900 20 5 FFBDHN Cn1ccnc1C(=O)c1ccc(N[C@H]2CCN3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000301231499 258035332 /nfs/dbraw/zinc/03/53/32/258035332.db2.gz FRJWWFZECXLSDQ-JKSUJKDBSA-N 0 3 369.425 2.598 20 5 FFBDHN CN1CCC[C@@H](N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 ZINC000301277925 258039603 /nfs/dbraw/zinc/03/96/03/258039603.db2.gz JFVJFQHBHROUEM-CQSZACIVSA-N 0 3 372.391 2.830 20 5 FFBDHN C[C@H]1CN(CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000302494059 258103858 /nfs/dbraw/zinc/10/38/58/258103858.db2.gz ATKVBVCDEFMLGP-HNNXBMFYSA-N 0 3 370.453 2.938 20 5 FFBDHN C[C@H]1CCCN(c2ccc(C(=O)N3CCC[C@@H](N(C)C)C3)cc2[N+](=O)[O-])C1 ZINC000332378578 258228031 /nfs/dbraw/zinc/22/80/31/258228031.db2.gz NTTVVAQSTIAELO-DOTOQJQBSA-N 0 3 374.485 2.997 20 5 FFBDHN C[C@@H]1CCCN(c2ccc(C(=O)N3CCC[C@H]3CN(C)C)cc2[N+](=O)[O-])C1 ZINC000332408096 258229397 /nfs/dbraw/zinc/22/93/97/258229397.db2.gz DFMYYZPXSPUGOF-WBVHZDCISA-N 0 3 374.485 2.997 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCN1C ZINC000332608922 258237221 /nfs/dbraw/zinc/23/72/21/258237221.db2.gz BEIAPZKVXFXAJR-AAEUAGOBSA-N 0 3 360.439 2.931 20 5 FFBDHN CCN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000158887893 508764492 /nfs/dbraw/zinc/76/44/92/508764492.db2.gz BCVHJWXYGYQDIN-NSHDSACASA-N 0 3 356.220 2.571 20 5 FFBDHN C[C@@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H](C)C1 ZINC000053160497 506324166 /nfs/dbraw/zinc/32/41/66/506324166.db2.gz JAHANGZZVCXIMP-CABCVRRESA-N 0 3 371.441 2.631 20 5 FFBDHN COc1ccc(OCCN2CCC[C@H](c3nccn3C)C2)c([N+](=O)[O-])c1 ZINC000377261354 512190760 /nfs/dbraw/zinc/19/07/60/512190760.db2.gz INWAVLJILUPPLD-AWEZNQCLSA-N 0 3 360.414 2.595 20 5 FFBDHN COc1cc(C(=O)N2C[C@H](N(C)C)Cc3ccccc32)c([N+](=O)[O-])cc1F ZINC000410464962 512269215 /nfs/dbraw/zinc/26/92/15/512269215.db2.gz ITGQZBHJZHTZOL-CYBMUJFWSA-N 0 3 373.384 2.876 20 5 FFBDHN CN(C)CCNC(=O)c1cccc(CNc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000066816510 506651796 /nfs/dbraw/zinc/65/17/96/506651796.db2.gz GIVGESVZXBZTNU-UHFFFAOYSA-N 0 3 360.389 2.637 20 5 FFBDHN C[C@@H]1C[C@@H](C)C[NH+](CCCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000056067419 506922963 /nfs/dbraw/zinc/92/29/63/506922963.db2.gz NKLBFXLIHVXYLD-HUUCEWRRSA-N 0 3 369.487 2.631 20 5 FFBDHN O=C(CNc1ccccc1[N+](=O)[O-])NC1CCN(Cc2ccccc2)CC1 ZINC000067704458 506980896 /nfs/dbraw/zinc/98/08/96/506980896.db2.gz QEQULIPJTWKKNF-UHFFFAOYSA-N 0 3 368.437 2.788 20 5 FFBDHN COc1ccc(CC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000067793057 507010518 /nfs/dbraw/zinc/01/05/18/507010518.db2.gz HDSPZYBRXJEEFI-QGZVFWFLSA-N 0 3 369.421 2.537 20 5 FFBDHN NC(=O)c1ccc(NC[C@@H](c2ccccc2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000015129239 507022583 /nfs/dbraw/zinc/02/25/83/507022583.db2.gz KINJKQMLJWPPJR-SFHVURJKSA-N 0 3 354.410 2.943 20 5 FFBDHN CN(C)[C@@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000068341132 507193880 /nfs/dbraw/zinc/19/38/80/507193880.db2.gz JSJYNADNIYORKS-MRXNPFEDSA-N 0 3 363.461 2.707 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCN1CCCCC1 ZINC000068353270 507198698 /nfs/dbraw/zinc/19/86/98/507198698.db2.gz LIUCNLPNWKPBTJ-LBPRGKRZSA-N 0 3 355.822 2.618 20 5 FFBDHN O=C(NCC1CCN(Cc2ccncc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000023015919 507325040 /nfs/dbraw/zinc/32/50/40/507325040.db2.gz YJJHTVVNXKFGCW-UHFFFAOYSA-N 0 3 354.410 2.632 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H]1CN1CCCCC1 ZINC000069077599 507399391 /nfs/dbraw/zinc/39/93/91/507399391.db2.gz NTORXRKDTBVQGT-MRXNPFEDSA-N 0 3 360.458 2.792 20 5 FFBDHN CCN1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)c(C)c2)CC1 ZINC000025184898 507474785 /nfs/dbraw/zinc/47/47/85/507474785.db2.gz QRXIDUUPPUUYPZ-UHFFFAOYSA-N 0 3 358.398 2.890 20 5 FFBDHN Cc1c(CS(=O)(=O)C(C)C(=O)N2CCCCCC2)cccc1[N+](=O)[O-] ZINC000048717108 507555694 /nfs/dbraw/zinc/55/56/94/507555694.db2.gz LSMBRRFZXUTFSE-CQSZACIVSA-N 0 3 368.455 2.609 20 5 FFBDHN CN(C)[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000027145175 507635565 /nfs/dbraw/zinc/63/55/65/507635565.db2.gz OHKZKHWPTLMHON-QGZVFWFLSA-N 0 3 373.478 2.976 20 5 FFBDHN CC(C)(C)N1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000063723343 507764673 /nfs/dbraw/zinc/76/46/73/507764673.db2.gz UQUNXGBPASXUKE-UHFFFAOYSA-N 0 3 371.441 2.727 20 5 FFBDHN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cncn2)cc1 ZINC000089580732 507847306 /nfs/dbraw/zinc/84/73/06/507847306.db2.gz SLNSLXVHVSTZDR-AWEZNQCLSA-N 0 3 353.382 2.905 20 5 FFBDHN CCCO[C@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000108391996 507892503 /nfs/dbraw/zinc/89/25/03/507892503.db2.gz PPTVIXQMGCUHAG-IRXDYDNUSA-N 0 3 352.431 2.616 20 5 FFBDHN O=C(NC[C@@H]1CCN(C2CC2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000079683587 507990493 /nfs/dbraw/zinc/99/04/93/507990493.db2.gz FRJSJHXYWLZTHN-JTQLQIEISA-N 0 3 357.332 2.828 20 5 FFBDHN Cc1ccc(CN(CCN(C)C)C(=O)CN(C)c2ccccc2[N+](=O)[O-])o1 ZINC000079790866 508001431 /nfs/dbraw/zinc/00/14/31/508001431.db2.gz TUEOIVGXDZGHHJ-UHFFFAOYSA-N 0 3 374.441 2.523 20 5 FFBDHN CCc1nn(C)c(N(C)C[C@@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000091729097 508005572 /nfs/dbraw/zinc/00/55/72/508005572.db2.gz CGYBOIAZYMBQHD-INIZCTEOSA-N 0 3 357.458 2.849 20 5 FFBDHN O=C(CNC1(c2ccccc2)CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000074319474 508011471 /nfs/dbraw/zinc/01/14/71/508011471.db2.gz KXNHKWHNHOZCLI-UHFFFAOYSA-N 0 3 355.394 2.829 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CCN1Cc1ccccc1 ZINC000079945110 508017896 /nfs/dbraw/zinc/01/78/96/508017896.db2.gz NHQZZPYMXFUOGZ-GDBMZVCRSA-N 0 3 368.437 2.960 20 5 FFBDHN CN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1cccc(O)c1 ZINC000080919753 508112060 /nfs/dbraw/zinc/11/20/60/508112060.db2.gz DQQAOZPDTFLJMM-UHFFFAOYSA-N 0 3 357.366 2.730 20 5 FFBDHN COc1ccc(C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000081125937 508140132 /nfs/dbraw/zinc/14/01/32/508140132.db2.gz JMHKPAFLCLLWFG-KRWDZBQOSA-N 0 3 369.421 2.950 20 5 FFBDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000081126539 508140497 /nfs/dbraw/zinc/14/04/97/508140497.db2.gz LQBVJPUMDNBANL-QGZVFWFLSA-N 0 3 368.437 2.740 20 5 FFBDHN CCc1ccc([C@@H]2C[C@H](C)CCN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000076145400 508163737 /nfs/dbraw/zinc/16/37/37/508163737.db2.gz OGSLSUSBVGTMMU-KMFMINBZSA-N 0 3 362.430 2.781 20 5 FFBDHN CC1(C)CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCS1 ZINC000083414944 508245524 /nfs/dbraw/zinc/24/55/24/508245524.db2.gz CVJXCMABANODCI-UHFFFAOYSA-N 0 3 351.428 2.720 20 5 FFBDHN CCN1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000122040014 508471514 /nfs/dbraw/zinc/47/15/14/508471514.db2.gz JCFCNHHAKNKPLN-LBPRGKRZSA-N 0 3 370.247 2.962 20 5 FFBDHN Cc1ccc([C@@H](C)NC[C@@]2(N3CCOCC3)CCSC2)cc1[N+](=O)[O-] ZINC000154427216 508782826 /nfs/dbraw/zinc/78/28/26/508782826.db2.gz UHLAXAPFDZRKSC-QAPCUYQASA-N 0 3 365.499 2.762 20 5 FFBDHN C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000139256705 508785669 /nfs/dbraw/zinc/78/56/69/508785669.db2.gz SHIWSFBZOPVKRP-IIAWOOMASA-N 0 3 367.471 2.621 20 5 FFBDHN Cc1ccccc1[C@H](C)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000159228678 508810844 /nfs/dbraw/zinc/81/08/44/508810844.db2.gz LGFWWPYDUGOHIJ-AWEZNQCLSA-N 0 3 363.439 2.532 20 5 FFBDHN O=C1[C@H](N2CCN(C3CCCCC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000141807270 508818600 /nfs/dbraw/zinc/81/86/00/508818600.db2.gz ORBQQGXYTDFJEG-LJQANCHMSA-N 0 3 372.469 2.650 20 5 FFBDHN CN(C)Cc1ccc(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)cc1 ZINC000159283518 508818963 /nfs/dbraw/zinc/81/89/63/508818963.db2.gz HAYGVSKUMZNZDO-UHFFFAOYSA-N 0 3 356.426 2.698 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CCCN(CC(C)C)C1 ZINC000120209107 508950708 /nfs/dbraw/zinc/95/07/08/508950708.db2.gz QZSGHVJNBOFYCJ-HNNXBMFYSA-N 0 3 369.487 2.550 20 5 FFBDHN C[C@H](c1ccncc1)N1CCC(NC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000155557792 509025964 /nfs/dbraw/zinc/02/59/64/509025964.db2.gz AGCUVHWUXYIOCY-OAHLLOKOSA-N 0 3 368.437 2.874 20 5 FFBDHN C[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000120616781 509032607 /nfs/dbraw/zinc/03/26/07/509032607.db2.gz UHSLSOFOSUEXEH-VIFPVBQESA-N 0 3 356.220 2.570 20 5 FFBDHN COCCCN(C)CCNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000161128782 509074870 /nfs/dbraw/zinc/07/48/70/509074870.db2.gz FGPRXUVGZGULRJ-UHFFFAOYSA-N 0 3 359.430 2.740 20 5 FFBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)N(C)C1CC1 ZINC000120992141 509104701 /nfs/dbraw/zinc/10/47/01/509104701.db2.gz LWFKQGZWWLSLKE-SECBINFHSA-N 0 3 356.220 2.570 20 5 FFBDHN CCCCN(C)CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000121273563 509160829 /nfs/dbraw/zinc/16/08/29/509160829.db2.gz GOCPPBIQRDMCPQ-UHFFFAOYSA-N 0 3 358.236 2.819 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CN1C1CC1 ZINC000182350675 509189688 /nfs/dbraw/zinc/18/96/88/509189688.db2.gz AGTQNNUJVALKDH-UWVGGRQHSA-N 0 3 355.341 2.551 20 5 FFBDHN CN1CC[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000248062581 509226480 /nfs/dbraw/zinc/22/64/80/509226480.db2.gz PHSFRAZEXPGHGA-PKOBYXMFSA-N 0 3 355.394 2.535 20 5 FFBDHN CN1CC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000248062577 509227371 /nfs/dbraw/zinc/22/73/71/509227371.db2.gz PHSFRAZEXPGHGA-IEBWSBKVSA-N 0 3 355.394 2.535 20 5 FFBDHN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NCCn1ccc([N+](=O)[O-])n1 ZINC000185629817 509273604 /nfs/dbraw/zinc/27/36/04/509273604.db2.gz HNRIRYBHDUHCPZ-SECBINFHSA-N 0 3 360.340 2.518 20 5 FFBDHN CN1CC[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000179137081 509281483 /nfs/dbraw/zinc/28/14/83/509281483.db2.gz PBPFDDWLBMIDCI-MSOLQXFVSA-N 0 3 354.410 2.839 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCN(C3CCOCC3)CC2)cc1C(F)(F)F ZINC000267114419 509351482 /nfs/dbraw/zinc/35/14/82/509351482.db2.gz ZJDSZDQJTHFRPQ-UHFFFAOYSA-N 0 3 359.348 2.915 20 5 FFBDHN COc1cccc2c1CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000182694098 509376967 /nfs/dbraw/zinc/37/69/67/509376967.db2.gz XGYRGGOWZWNZCQ-UHFFFAOYSA-N 0 3 355.394 2.990 20 5 FFBDHN COc1ccc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000248894074 509533815 /nfs/dbraw/zinc/53/38/15/509533815.db2.gz SXODRSZEHVVRLM-RHSMWYFYSA-N 0 3 369.421 2.854 20 5 FFBDHN O=C(NC1CC1)c1ccc(N2CC[C@@H](N3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000264546328 509592123 /nfs/dbraw/zinc/59/21/23/509592123.db2.gz BXEUVHOOAMVAQZ-MRXNPFEDSA-N 0 3 358.442 2.552 20 5 FFBDHN C[C@@H]1CN(CCCCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@H](C)O1 ZINC000267960523 509689275 /nfs/dbraw/zinc/68/92/75/509689275.db2.gz DLSIWYQWBDFLAO-OKILXGFUSA-N 0 3 374.441 2.695 20 5 FFBDHN COCCO[C@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000189668555 509692450 /nfs/dbraw/zinc/69/24/50/509692450.db2.gz RBKSBJIJZNLIKA-INIZCTEOSA-N 0 3 361.398 2.530 20 5 FFBDHN COc1cc(CNCC[C@@](C)(O)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000189844542 509783185 /nfs/dbraw/zinc/78/31/85/509783185.db2.gz NNMULBXGFBSZDH-LJQANCHMSA-N 0 3 360.410 2.999 20 5 FFBDHN CN(CC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000180208132 509812561 /nfs/dbraw/zinc/81/25/61/509812561.db2.gz SZZHGDNOFSXMND-JXFKEZNVSA-N 0 3 368.437 2.593 20 5 FFBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NCC1CCN(c2ccncc2)CC1 ZINC000180227191 509821595 /nfs/dbraw/zinc/82/15/95/509821595.db2.gz HPWJTZPICNWMNI-UHFFFAOYSA-N 0 3 354.410 2.565 20 5 FFBDHN C[C@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H](C)C1 ZINC000253542023 509890226 /nfs/dbraw/zinc/89/02/26/509890226.db2.gz MWKCHWVNIGDFBR-QWHCGFSZSA-N 0 3 372.425 2.699 20 5 FFBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000253542021 509890313 /nfs/dbraw/zinc/89/03/13/509890313.db2.gz IKLDQANEDPJOKK-STQMWFEESA-N 0 3 372.425 2.699 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000171029675 509899186 /nfs/dbraw/zinc/89/91/86/509899186.db2.gz FNDVOLCEKLMDTR-UHFFFAOYSA-N 0 3 360.389 2.641 20 5 FFBDHN CN(C)[C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])Cc1ccccc1 ZINC000253613206 509904477 /nfs/dbraw/zinc/90/44/77/509904477.db2.gz ZOOALNKVVNLQQB-AWEZNQCLSA-N 0 3 367.409 2.828 20 5 FFBDHN CC(=O)c1cccc(OC[C@@H](O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180420175 509917478 /nfs/dbraw/zinc/91/74/78/509917478.db2.gz HNIWXNDKEYCOGP-UGSOOPFHSA-N 0 3 358.394 2.888 20 5 FFBDHN COc1ccccc1COC[C@@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180443924 509928047 /nfs/dbraw/zinc/92/80/47/509928047.db2.gz BYEORHPZPONILD-KDOFPFPSSA-N 0 3 360.410 2.832 20 5 FFBDHN COc1ccc(OCCN2CC[C@H](C)[C@H](n3ccnc3)C2)c([N+](=O)[O-])c1 ZINC000245526789 509984287 /nfs/dbraw/zinc/98/42/87/509984287.db2.gz FLCKJRJFCIFRML-WMLDXEAASA-N 0 3 360.414 2.762 20 5 FFBDHN Cc1n[nH]c(C)c1[C@@H]1CCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000245716654 510104297 /nfs/dbraw/zinc/10/42/97/510104297.db2.gz QILUOPAPUCFFIS-WBVHZDCISA-N 0 3 360.414 2.512 20 5 FFBDHN Cc1nn(CCC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)c(C)c1[N+](=O)[O-] ZINC000187215879 510128964 /nfs/dbraw/zinc/12/89/64/510128964.db2.gz CFRFYXWNCRAMQM-DJJJIMSYSA-N 0 3 373.457 2.606 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000180848446 510143337 /nfs/dbraw/zinc/14/33/37/510143337.db2.gz LSQILKSERRLOMD-GDBMZVCRSA-N 0 3 368.437 2.960 20 5 FFBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000194070943 510201459 /nfs/dbraw/zinc/20/14/59/510201459.db2.gz CQCSMUONIYWUCZ-GOSISDBHSA-N 0 3 368.437 2.916 20 5 FFBDHN CC(C)c1ccc(CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000174692775 510254053 /nfs/dbraw/zinc/25/40/53/510254053.db2.gz JJEVMAIOYXHNMD-IBGZPJMESA-N 0 3 358.442 2.940 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184435935 510323847 /nfs/dbraw/zinc/32/38/47/510323847.db2.gz LWLXHEQJVJKRPU-OAHLLOKOSA-N 0 3 368.437 2.914 20 5 FFBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN2CCCC[C@H]2C1 ZINC000246186641 510348392 /nfs/dbraw/zinc/34/83/92/510348392.db2.gz LLPXYKKWZXEULX-BBRMVZONSA-N 0 3 357.414 2.876 20 5 FFBDHN C[C@H](NCC(=O)NC[C@@H](c1ccccc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000184622125 510422447 /nfs/dbraw/zinc/42/24/47/510422447.db2.gz OEHKPWIMDFYBGN-KXBFYZLASA-N 0 3 370.453 2.665 20 5 FFBDHN CCOC(=O)[C@H](C)[C@H](C)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000190957739 510433435 /nfs/dbraw/zinc/43/34/35/510433435.db2.gz GLDKJWRWJLRQJJ-OLZOCXBDSA-N 0 3 360.414 2.673 20 5 FFBDHN CCOC(=O)[C@@H](C)[C@@H](C)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000190957696 510433667 /nfs/dbraw/zinc/43/36/67/510433667.db2.gz GLDKJWRWJLRQJJ-QWHCGFSZSA-N 0 3 360.414 2.673 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](CN2CCOCC2)C1 ZINC000175224822 510541571 /nfs/dbraw/zinc/54/15/71/510541571.db2.gz FIXIXTAIOJORGC-INIZCTEOSA-N 0 3 363.458 2.538 20 5 FFBDHN O=[N+]([O-])c1ccn(CCN(CCc2ccccc2)Cc2cccnc2)n1 ZINC000191354134 510620011 /nfs/dbraw/zinc/62/00/11/510620011.db2.gz PMBQNPQPBXBTQW-UHFFFAOYSA-N 0 3 351.410 2.931 20 5 FFBDHN CO[C@@H](C)[C@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000191704555 510794220 /nfs/dbraw/zinc/79/42/20/510794220.db2.gz SHSZARIFKBHESJ-GUBZILKMSA-N 0 3 363.336 2.954 20 5 FFBDHN C[C@](CO)(NCc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCCCC1 ZINC000172673895 510841923 /nfs/dbraw/zinc/84/19/23/510841923.db2.gz IGRQBVALXNSSBG-GOSISDBHSA-N 0 3 350.415 2.882 20 5 FFBDHN O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285682649 511008079 /nfs/dbraw/zinc/00/80/79/511008079.db2.gz GKOLIQOXZUBDFF-IBGZPJMESA-N 0 3 355.394 2.926 20 5 FFBDHN C[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)NCCF ZINC000282615858 511047550 /nfs/dbraw/zinc/04/75/50/511047550.db2.gz IPSBOFRLUOPQBV-NSHDSACASA-N 0 3 351.403 2.887 20 5 FFBDHN C[C@H]1C[C@H](N(C)C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CCN1C ZINC000279408190 511072990 /nfs/dbraw/zinc/07/29/90/511072990.db2.gz XBLXCHDOPRWBKL-CMPLNLGQSA-N 0 3 357.813 2.871 20 5 FFBDHN Cn1cc([C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)CC23CCOCC3)cn1 ZINC000294685786 511142738 /nfs/dbraw/zinc/14/27/38/511142738.db2.gz AHBTXIKWMHUNRE-KRWDZBQOSA-N 0 3 374.416 2.864 20 5 FFBDHN O=C(CCN(CCCO)Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000283198638 511273297 /nfs/dbraw/zinc/27/32/97/511273297.db2.gz GFMOXKUOFYIKQH-UHFFFAOYSA-N 0 3 357.410 2.808 20 5 FFBDHN C[C@@H](NC(=O)CC1(N2CCOCC2)CCCC1)c1ccccc1[N+](=O)[O-] ZINC000271706450 511294308 /nfs/dbraw/zinc/29/43/08/511294308.db2.gz MPXCIAONRYNVLX-OAHLLOKOSA-N 0 3 361.442 2.807 20 5 FFBDHN CN(C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)N2C ZINC000295415513 511396381 /nfs/dbraw/zinc/39/63/81/511396381.db2.gz WRLVNUSJZNETIH-FKEKPDDDSA-N 0 3 359.426 2.641 20 5 FFBDHN CCN1CCN(C[C@H](C)CNc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000295499429 511425734 /nfs/dbraw/zinc/42/57/34/511425734.db2.gz KNNRUIQHDAUEAW-OAHLLOKOSA-N 0 3 357.458 2.829 20 5 FFBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000273846514 511629597 /nfs/dbraw/zinc/62/95/97/511629597.db2.gz GTYXDUFQMOSIBD-GUYCJALGSA-N 0 3 363.433 2.954 20 5 FFBDHN NC(=O)c1ccc(CN2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000280958101 511667370 /nfs/dbraw/zinc/66/73/70/511667370.db2.gz JKDRNTJSEKQQJC-LZLYRXPVSA-N 0 3 361.442 2.599 20 5 FFBDHN Cc1cc(NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000365842426 511682296 /nfs/dbraw/zinc/68/22/96/511682296.db2.gz BXECYHDCBKDUAV-AWEZNQCLSA-N 0 3 362.430 2.620 20 5 FFBDHN Cc1nn(C)c(NCC2(N3CCSCC3)CCCCC2)c1[N+](=O)[O-] ZINC000301225822 511690523 /nfs/dbraw/zinc/69/05/23/511690523.db2.gz GHMJWZMUHHKJPX-UHFFFAOYSA-N 0 3 353.492 2.800 20 5 FFBDHN COC(=O)[C@@H]1CCO[C@H]1C1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000292805418 511727462 /nfs/dbraw/zinc/72/74/62/511727462.db2.gz OAQDCNUTUVOPHQ-AEFFLSMTSA-N 0 3 362.426 2.693 20 5 FFBDHN CCN(C)C(=O)[C@@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C ZINC000296420468 511735804 /nfs/dbraw/zinc/73/58/04/511735804.db2.gz UVFOTMKMHVHLHQ-SFHVURJKSA-N 0 3 374.441 2.885 20 5 FFBDHN CCN(C)CCNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000303653306 511746102 /nfs/dbraw/zinc/74/61/02/511746102.db2.gz XLCQQALHLURLON-HUUCEWRRSA-N 0 3 362.474 2.759 20 5 FFBDHN CN1CC[C@H]2OCCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[C@H]2C1 ZINC000284550295 511768112 /nfs/dbraw/zinc/76/81/12/511768112.db2.gz HHLDLYHSLCXYIK-PKOBYXMFSA-N 0 3 357.410 2.760 20 5 FFBDHN CN1CC[C@H]2OCCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@@H]2C1 ZINC000284634916 511804500 /nfs/dbraw/zinc/80/45/00/511804500.db2.gz NNJKFACVQCNCDF-IEBWSBKVSA-N 0 3 357.410 2.760 20 5 FFBDHN CC(C)c1ccc(C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)cc1[N+](=O)[O-] ZINC000363898278 511837086 /nfs/dbraw/zinc/83/70/86/511837086.db2.gz ANJXSCBOKIDNEU-KRWDZBQOSA-N 0 3 374.485 2.570 20 5 FFBDHN CS[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1N1CCCC1 ZINC000275146478 512055364 /nfs/dbraw/zinc/05/53/64/512055364.db2.gz XVJASTLLWMEBHM-ZBFHGGJFSA-N 0 3 362.455 2.748 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)c1 ZINC000293715929 512061019 /nfs/dbraw/zinc/06/10/19/512061019.db2.gz OXERXWKTKHRNKG-CQSZACIVSA-N 0 3 361.442 2.940 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCS[C@H](C)[C@H]1C ZINC000411283475 512561521 /nfs/dbraw/zinc/56/15/21/512561521.db2.gz YWDDEOAGNFFLQC-VXGBXAGGSA-N 0 3 353.444 2.758 20 5 FFBDHN Cc1c([C@@H](C)N[C@H]2CCN(c3ccccc3C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000376193877 512703053 /nfs/dbraw/zinc/70/30/53/512703053.db2.gz GMGZWZRCGCRMGK-CABCVRRESA-N 0 3 368.437 2.932 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@H](C)N2CCC(C)CC2)c1F ZINC000411695304 512764192 /nfs/dbraw/zinc/76/41/92/512764192.db2.gz OYJCIJQRLSRZBP-ZDUSSCGKSA-N 0 3 367.421 2.522 20 5 FFBDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000378539154 512814323 /nfs/dbraw/zinc/81/43/23/512814323.db2.gz NZXWIFBBNGNODD-HNNXBMFYSA-N 0 3 354.410 2.524 20 5 FFBDHN COc1cccc([C@H]2C[C@@H](C)CN2CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000378639139 512860462 /nfs/dbraw/zinc/86/04/62/512860462.db2.gz DPBGPSSFWATKAO-RDTXWAMCSA-N 0 3 357.410 2.848 20 5 FFBDHN CCc1nn(C)c(N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC000381013585 512874335 /nfs/dbraw/zinc/87/43/35/512874335.db2.gz PYPMNWCQMZQPGN-SJORKVTESA-N 0 3 369.469 2.849 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H](Oc2ccccc2)C1 ZINC000411990255 512904062 /nfs/dbraw/zinc/90/40/62/512904062.db2.gz VPJPSPBYSVWPAL-AEFFLSMTSA-N 0 3 372.421 2.878 20 5 FFBDHN O=[N+]([O-])c1cnc(N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)nc1 ZINC000368345338 512908208 /nfs/dbraw/zinc/90/82/08/512908208.db2.gz TTXQAASTQKCYQY-IBGZPJMESA-N 0 3 353.426 2.877 20 5 FFBDHN O=C(CCN1CCC(c2cn[nH]c2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000372598495 512962510 /nfs/dbraw/zinc/96/25/10/512962510.db2.gz HJERUHFOKGEJPR-UHFFFAOYSA-N 0 3 361.377 2.665 20 5 FFBDHN Cc1ccc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000408008468 512982833 /nfs/dbraw/zinc/98/28/33/512982833.db2.gz HXGWUZRUHFMKKU-UHFFFAOYSA-N 0 3 367.471 2.542 20 5 FFBDHN COc1cc(C(=O)N2CCCN(CC3CCC3)CC2)c([N+](=O)[O-])cc1F ZINC000412317574 513036472 /nfs/dbraw/zinc/03/64/72/513036472.db2.gz OUDYKCZMHLQWPT-UHFFFAOYSA-N 0 3 365.405 2.691 20 5 FFBDHN O=C(CCN1CC[C@@](O)(c2ccc(F)cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000374866689 513045987 /nfs/dbraw/zinc/04/59/87/513045987.db2.gz XAIJSQVVKWAJSS-IBGZPJMESA-N 0 3 373.384 2.656 20 5 FFBDHN CN(C(=O)CN[C@H](c1ccccc1)[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000374990125 513100332 /nfs/dbraw/zinc/10/03/32/513100332.db2.gz LSVNJUAOWYYMHH-OXJNMPFZSA-N 0 3 369.421 2.925 20 5 FFBDHN Cc1nc(NC2CC(N3CCC(C(F)(F)F)CC3)C2)ncc1[N+](=O)[O-] ZINC000450493641 513220673 /nfs/dbraw/zinc/22/06/73/513220673.db2.gz FGYQBFMYMGMUKG-UHFFFAOYSA-N 0 3 359.352 2.910 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000428994676 513244545 /nfs/dbraw/zinc/24/45/45/513244545.db2.gz PJOYOFYKABARLM-QIIPPGSGSA-N 0 3 360.458 2.504 20 5 FFBDHN C[C@H](c1ccccc1)[C@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450566532 513253576 /nfs/dbraw/zinc/25/35/76/513253576.db2.gz KXYFLUQDTWFPPN-UWWQBHOKSA-N 0 3 356.426 2.641 20 5 FFBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000429023175 513259207 /nfs/dbraw/zinc/25/92/07/513259207.db2.gz DOXPTPZECWZEIZ-ATNYBXOESA-N 0 3 360.458 2.584 20 5 FFBDHN O=C(NC[C@H]1CCCCN1C1CC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000434419755 513318794 /nfs/dbraw/zinc/31/87/94/513318794.db2.gz BJIRCDDVNLOVKX-MRXNPFEDSA-N 0 3 369.425 2.527 20 5 FFBDHN Cn1c(CCN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc2ccccc21 ZINC000440494247 513333219 /nfs/dbraw/zinc/33/32/19/513333219.db2.gz IGMNQVXQJNMFDF-AWEZNQCLSA-N 0 3 366.425 2.605 20 5 FFBDHN Cc1cc(NCCN2CCN(C)C(C)(C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000440651773 513370847 /nfs/dbraw/zinc/37/08/47/513370847.db2.gz QEWGYGWHMCQGLL-UHFFFAOYSA-N 0 3 357.458 2.889 20 5 FFBDHN CC(C)[C@H](CNc1nccc2ccc([N+](=O)[O-])cc21)N1CCN(C)CC1 ZINC000413047355 513407305 /nfs/dbraw/zinc/40/73/05/513407305.db2.gz UZMRIXIKHQYFAI-SFHVURJKSA-N 0 3 357.458 2.827 20 5 FFBDHN CCc1nn(C)c(CC)c1CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447587706 513516038 /nfs/dbraw/zinc/51/60/38/513516038.db2.gz RXXWRDAUWAQTDH-DOTOQJQBSA-N 0 3 360.462 2.923 20 5 FFBDHN CN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(C)(C)CN1CCCC1 ZINC000416094163 513568992 /nfs/dbraw/zinc/56/89/92/513568992.db2.gz AMDVYHYDLZKART-UHFFFAOYSA-N 0 3 371.441 2.727 20 5 FFBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418635734 513585586 /nfs/dbraw/zinc/58/55/86/513585586.db2.gz LAUQYNALBHKNRV-SFHVURJKSA-N 0 3 368.437 2.666 20 5 FFBDHN COC(=O)[C@@H]1CCCCC[C@@H]1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451228185 513609096 /nfs/dbraw/zinc/60/90/96/513609096.db2.gz HRPYFGOWQDIWRZ-MAZHCROVSA-N 0 3 363.414 2.633 20 5 FFBDHN Cc1c(CNC(=O)CCN2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000416223012 513654663 /nfs/dbraw/zinc/65/46/63/513654663.db2.gz DYIVOLSQCKRMKP-UHFFFAOYSA-N 0 3 353.422 2.968 20 5 FFBDHN COc1cc(NC(=O)c2ccc([N+](=O)[O-])s2)ccc1OCCN(C)C ZINC000416345944 513724497 /nfs/dbraw/zinc/72/44/97/513724497.db2.gz YKZVSNHEOARPSU-UHFFFAOYSA-N 0 3 365.411 2.858 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@@H]3[C@@H]3CCC[C@H]3O)n2)cc1 ZINC000451426680 513743920 /nfs/dbraw/zinc/74/39/20/513743920.db2.gz VWTLGOUEYAYGRX-ARFHVFGLSA-N 0 3 358.398 2.770 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H](Oc2ccccc2)C1 ZINC000419319162 513774294 /nfs/dbraw/zinc/77/42/94/513774294.db2.gz VPJPSPBYSVWPAL-FUHWJXTLSA-N 0 3 372.421 2.878 20 5 FFBDHN CN(C)[C@@H]1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436319902 513825047 /nfs/dbraw/zinc/82/50/47/513825047.db2.gz GAEXPDQACDWGMR-GFCCVEGCSA-N 0 3 353.397 2.597 20 5 FFBDHN Cc1cc(NC(=O)CCN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000451569252 513840660 /nfs/dbraw/zinc/84/06/60/513840660.db2.gz OOYVPLUWLXXFPM-OAHLLOKOSA-N 0 3 358.398 2.521 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C(C)C)[C@@H](CO)C(C)C ZINC000451590235 513852253 /nfs/dbraw/zinc/85/22/53/513852253.db2.gz BIUODGLVPAAKGB-MAUKXSAKSA-N 0 3 351.447 2.720 20 5 FFBDHN CC(C)[C@H](CO)[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C ZINC000451604328 513861159 /nfs/dbraw/zinc/86/11/59/513861159.db2.gz YKIJCUALSYEWFN-JQFCIGGWSA-N 0 3 351.447 2.801 20 5 FFBDHN CCn1nccc1N1CCC[C@H](N[C@@H](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000449276147 514142082 /nfs/dbraw/zinc/14/20/82/514142082.db2.gz AZFAJCVREBAETL-HOCLYGCPSA-N 0 3 371.441 2.527 20 5 FFBDHN CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CCN2CCO[C@H]1C2 ZINC000449362661 514181854 /nfs/dbraw/zinc/18/18/54/514181854.db2.gz LPAIQKKUXYOXHM-HKUYNNGSSA-N 0 3 357.410 2.760 20 5 FFBDHN NC(=O)c1cccc([N+](=O)[O-])c1N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000420589081 514193697 /nfs/dbraw/zinc/19/36/97/514193697.db2.gz SPPQDEQBGPMDRF-OAHLLOKOSA-N 0 3 354.410 2.770 20 5 FFBDHN O=[N+]([O-])c1cc(I)cc(CNCC2=CCOCC2)c1 ZINC000449400793 514197350 /nfs/dbraw/zinc/19/73/50/514197350.db2.gz DENMCWKZICQUBS-UHFFFAOYSA-N 0 3 374.178 2.636 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420639510 514211553 /nfs/dbraw/zinc/21/15/53/514211553.db2.gz QNGIJNANFGFNFG-HNNXBMFYSA-N 0 3 368.437 2.652 20 5 FFBDHN Cn1cc(CN2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449558871 514254965 /nfs/dbraw/zinc/25/49/65/514254965.db2.gz XEJBXNAGRUUYSY-GJYPPUQNSA-N 0 3 370.453 2.978 20 5 FFBDHN Cn1nccc1[C@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000449596762 514266436 /nfs/dbraw/zinc/26/64/36/514266436.db2.gz YEYLRBIJEXTFMI-BLLLJJGKSA-N 0 3 350.806 2.992 20 5 FFBDHN COc1ccc(CN[C@H]2C[C@@H](O)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000449746402 514333033 /nfs/dbraw/zinc/33/30/33/514333033.db2.gz FVQHDDFJZFTTRH-WOVMCDHWSA-N 0 3 358.394 2.795 20 5 FFBDHN N[C@H]1Cc2ccccc2N(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000424074172 514369948 /nfs/dbraw/zinc/36/99/48/514369948.db2.gz JMBFRPPZWFWPQZ-AWEZNQCLSA-N 0 3 352.394 2.699 20 5 FFBDHN CS(=O)(=O)CCCCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000424175991 514406229 /nfs/dbraw/zinc/40/62/29/514406229.db2.gz WMRXQXINEVRGIR-UHFFFAOYSA-N 0 3 352.412 2.769 20 5 FFBDHN Cc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2C)ccc1OCCN(C)C ZINC000458191264 514614820 /nfs/dbraw/zinc/61/48/20/514614820.db2.gz GDXKKKDMTABQTD-UHFFFAOYSA-N 0 3 358.398 2.799 20 5 FFBDHN CCOc1cc(N2CCN(C[C@H]3CCSC3)CC2)ccc1[N+](=O)[O-] ZINC000475513126 514698020 /nfs/dbraw/zinc/69/80/20/514698020.db2.gz QWZZOPMWZPBXQZ-CQSZACIVSA-N 0 3 351.472 2.869 20 5 FFBDHN COc1ccc(-c2ccc(CN3CC[C@](C)(C(N)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000475664901 514752667 /nfs/dbraw/zinc/75/26/67/514752667.db2.gz AOVAOQGDYLUFCX-SFHVURJKSA-N 0 3 359.382 2.561 20 5 FFBDHN Cc1cc(N[C@@H](CC(C)C)C(=O)NCCN(C)C)c(F)cc1[N+](=O)[O-] ZINC000461953272 514803992 /nfs/dbraw/zinc/80/39/92/514803992.db2.gz AUDSNUZKTDDUKC-HNNXBMFYSA-N 0 3 354.426 2.547 20 5 FFBDHN CCc1ccc(C(=O)NCC(C)(C)N2CCC(OC)CC2)cc1[N+](=O)[O-] ZINC000471964972 515071146 /nfs/dbraw/zinc/07/11/46/515071146.db2.gz PSWZDSQICDZYJT-UHFFFAOYSA-N 0 3 363.458 2.776 20 5 FFBDHN CC(C)N1CC[C@@H](Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000462481511 515075183 /nfs/dbraw/zinc/07/51/83/515075183.db2.gz ASAQLWNEUWVSHD-MRXNPFEDSA-N 0 3 356.426 2.885 20 5 FFBDHN C[C@H](CN1CCN(c2ccccn2)CC1)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000467855910 515148280 /nfs/dbraw/zinc/14/82/80/515148280.db2.gz OIDJVVUBUVOKRO-IAGOWNOFSA-N 0 3 369.469 2.851 20 5 FFBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](CC[NH+](C)C)C(C)(C)C)c1[N+](=O)[O-] ZINC000481031678 515179744 /nfs/dbraw/zinc/17/97/44/515179744.db2.gz COEYAKGYRWSLRO-AWEZNQCLSA-N 0 3 371.503 2.856 20 5 FFBDHN C[C@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@@H](C)C1 ZINC000485824629 515204294 /nfs/dbraw/zinc/20/42/94/515204294.db2.gz ZWSLRBVJPVKRQN-VXGBXAGGSA-N 0 3 355.385 2.652 20 5 FFBDHN CC1(C)CN(Cc2ccccc2)CC[C@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000509528479 515219335 /nfs/dbraw/zinc/21/93/35/515219335.db2.gz QPFZAXDJFCVSPR-OAHLLOKOSA-N 0 3 356.430 2.510 20 5 FFBDHN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NCCN1CCCCCC1 ZINC000472345552 515236424 /nfs/dbraw/zinc/23/64/24/515236424.db2.gz FMLQHMFBMXDALA-UHFFFAOYSA-N 0 3 362.474 2.715 20 5 FFBDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000486031901 515305094 /nfs/dbraw/zinc/30/50/94/515305094.db2.gz GLEUEZDBFCAFSS-KSSFIOAISA-N 0 3 366.425 2.995 20 5 FFBDHN CCC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2)CCN1CCOC ZINC000492835972 515569247 /nfs/dbraw/zinc/56/92/47/515569247.db2.gz UJIMFDUCVUHQNR-MRXNPFEDSA-N 0 3 351.447 2.536 20 5 FFBDHN CN1CCC(O)(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000493246877 515614331 /nfs/dbraw/zinc/61/43/31/515614331.db2.gz JPZFOMHSHYKQOL-LJQANCHMSA-N 0 3 355.438 2.731 20 5 FFBDHN COc1ccc([C@H](CN2CCCC2)NC(=O)c2ccc([N+](=O)[O-])n2C)cc1 ZINC000500417755 515701042 /nfs/dbraw/zinc/70/10/42/515701042.db2.gz BLUDTWXKBCIGKQ-INIZCTEOSA-N 0 3 372.425 2.509 20 5 FFBDHN COc1cc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000494068635 515723563 /nfs/dbraw/zinc/72/35/63/515723563.db2.gz JAFNWAUNPSJCKU-YOEHRIQHSA-N 0 3 369.421 2.996 20 5 FFBDHN C[C@H]1[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000494070187 515727122 /nfs/dbraw/zinc/72/71/22/515727122.db2.gz VOEDGIWECGYNNV-HNAYVOBHSA-N 0 3 353.422 2.917 20 5 FFBDHN CCN(CCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000487035142 515728925 /nfs/dbraw/zinc/72/89/25/515728925.db2.gz UKDICOBJGYWZNW-UHFFFAOYSA-N 0 3 354.838 2.574 20 5 FFBDHN CCC1(CC)CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCS1 ZINC000464589556 515884690 /nfs/dbraw/zinc/88/46/90/515884690.db2.gz YSGPKSIITGIMNK-HNNXBMFYSA-N 0 3 354.472 2.942 20 5 FFBDHN CN(C)C[C@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000464933247 516018882 /nfs/dbraw/zinc/01/88/82/516018882.db2.gz GHLLIRSFOVZOCP-CQSZACIVSA-N 0 3 360.439 2.885 20 5 FFBDHN C[C@H]1C[C@H]1N1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000488028081 516085993 /nfs/dbraw/zinc/08/59/93/516085993.db2.gz SGOHGLFXGBDLPN-RLFYNMQTSA-N 0 3 360.458 2.509 20 5 FFBDHN C[C@@H]1CCCN(c2ccc(C(=O)N(C)CCN(C)C3CC3)cc2[N+](=O)[O-])C1 ZINC000474564503 516097453 /nfs/dbraw/zinc/09/74/53/516097453.db2.gz TZPSEJBHPHFXPL-OAHLLOKOSA-N 0 3 374.485 2.997 20 5 FFBDHN COc1cc(CNC[C@](C)(CO)Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000483650904 516157588 /nfs/dbraw/zinc/15/75/88/516157588.db2.gz YORARYHXRSLSKO-HXUWFJFHSA-N 0 3 374.437 2.943 20 5 FFBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000470170582 516160026 /nfs/dbraw/zinc/16/00/26/516160026.db2.gz XLDKBAZJJWKQKN-QIPRVMPFSA-N 0 3 373.453 2.569 20 5 FFBDHN CC[C@@H](C)[C@@H](N)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000496224822 516246044 /nfs/dbraw/zinc/24/60/44/516246044.db2.gz UVEUOEBMZUKONW-NOZJJQNGSA-N 0 3 362.352 2.515 20 5 FFBDHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000507688769 516284014 /nfs/dbraw/zinc/28/40/14/516284014.db2.gz OVKLOUQDGKSZKT-MRXNPFEDSA-N 0 3 371.441 2.521 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1[C@H](C)[C@@H](OC)C1(C)C ZINC000561503286 516620305 /nfs/dbraw/zinc/62/03/05/516620305.db2.gz ACWWSPUXDODKNA-DPDCMNJDSA-N 0 3 365.430 2.580 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H](C)N2CCC(C)CC2)c1 ZINC000540614454 516642212 /nfs/dbraw/zinc/64/22/12/516642212.db2.gz PCRDTGLQIKTONH-MRXNPFEDSA-N 0 3 363.458 2.909 20 5 FFBDHN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CC[C@H](N2CCCCC2)C1 ZINC000513723554 516732023 /nfs/dbraw/zinc/73/20/23/516732023.db2.gz FPACIKMKRKPEJN-ZDUSSCGKSA-N 0 3 369.368 2.897 20 5 FFBDHN CSc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)N(C)C)cc1 ZINC000561727443 516735020 /nfs/dbraw/zinc/73/50/20/516735020.db2.gz XMNKLXLZHFWKHG-MRXNPFEDSA-N 0 3 362.455 2.688 20 5 FFBDHN C[C@@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000541025123 516835949 /nfs/dbraw/zinc/83/59/49/516835949.db2.gz DJNSFGOSPYZQID-SNVBAGLBSA-N 0 3 355.341 2.576 20 5 FFBDHN CN(C)C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc(Cl)cc1 ZINC000555228967 516841231 /nfs/dbraw/zinc/84/12/31/516841231.db2.gz ACXPQLKKVPGGPD-CQSZACIVSA-N 0 3 362.817 2.863 20 5 FFBDHN COc1ccc(-c2ccc(CN[C@@H]3CCC[C@@H](C(N)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000532209709 516859118 /nfs/dbraw/zinc/85/91/18/516859118.db2.gz QVIQTZXQXZFUFV-CHWSQXEVSA-N 0 3 373.409 2.997 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000525105566 516918865 /nfs/dbraw/zinc/91/88/65/516918865.db2.gz IYQRQKQRTFHKTD-GMXVVIOVSA-N 0 3 355.822 2.614 20 5 FFBDHN C[C@H]1CCN(CCNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000525291264 516995024 /nfs/dbraw/zinc/99/50/24/516995024.db2.gz BOQVESYHISDJST-INIZCTEOSA-N 0 3 363.461 2.613 20 5 FFBDHN CCN1CCC(N(C)c2ncc([N+](=O)[O-])c(C)c2Br)CC1 ZINC000541577564 517122352 /nfs/dbraw/zinc/12/23/52/517122352.db2.gz CVBWKPKWWKEWBE-UHFFFAOYSA-N 0 3 357.252 2.981 20 5 FFBDHN COc1cc(CN2CCC[C@@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])cc1OC ZINC000552190220 517132247 /nfs/dbraw/zinc/13/22/47/517132247.db2.gz CWKCLRQDWNYIFS-ZIAGYGMSSA-N 0 3 350.415 2.861 20 5 FFBDHN C[C@@H](CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1)S(C)(=O)=O ZINC000532809256 517155961 /nfs/dbraw/zinc/15/59/61/517155961.db2.gz MFXXOOLDOZFFGH-NSHDSACASA-N 0 3 354.453 2.846 20 5 FFBDHN Cc1ccccc1[C@H](CO)NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000541981411 517319083 /nfs/dbraw/zinc/31/90/83/517319083.db2.gz AXCLNPVTLHNGSX-SFHVURJKSA-N 0 3 357.410 2.863 20 5 FFBDHN CN1CC[C@@H](c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)C1 ZINC000545762749 517359095 /nfs/dbraw/zinc/35/90/95/517359095.db2.gz PYIWRHFHAQMJOL-SNVBAGLBSA-N 0 3 367.203 2.750 20 5 FFBDHN CN(C)CCc1ccccc1NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000527087626 517497515 /nfs/dbraw/zinc/49/75/15/517497515.db2.gz QLZJICOOFOBCOL-UHFFFAOYSA-N 0 3 372.425 2.899 20 5 FFBDHN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(C)C)CC1 ZINC000549438853 517565465 /nfs/dbraw/zinc/56/54/65/517565465.db2.gz QGSJFOMQKAQVIS-UHFFFAOYSA-N 0 3 358.446 2.651 20 5 FFBDHN CNc1ccc(C(=O)Nc2ccc(OCCN(C)C)cc2)cc1[N+](=O)[O-] ZINC000516126401 517577284 /nfs/dbraw/zinc/57/72/84/517577284.db2.gz XBWMXMNEOSZJBZ-UHFFFAOYSA-N 0 3 358.398 2.829 20 5 FFBDHN COc1ccc(CNC(=O)NC[C@H](C)N2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000516158266 517591745 /nfs/dbraw/zinc/59/17/45/517591745.db2.gz SEKFVQXAAWWZHE-KBPBESRZSA-N 0 3 364.446 2.666 20 5 FFBDHN CC[C@@H](C)N[C@@H](CNc1ncc(C(=O)OC)cc1[N+](=O)[O-])c1ccco1 ZINC000553264539 517610999 /nfs/dbraw/zinc/61/09/99/517610999.db2.gz MMYRIKDAXJXTBV-YPMHNXCESA-N 0 3 362.386 2.911 20 5 FFBDHN CNC(=O)COc1cccc(CNC/C=C\c2ccccc2[N+](=O)[O-])c1 ZINC000549558185 517618527 /nfs/dbraw/zinc/61/85/27/517618527.db2.gz HWCUNSPVOPSMNX-YVMONPNESA-N 0 3 355.394 2.523 20 5 FFBDHN CN(C)CCOc1ccc(-c2noc(-c3cc([N+](=O)[O-])cn3C)n2)cc1 ZINC000546292437 517628933 /nfs/dbraw/zinc/62/89/33/517628933.db2.gz KBPKDKGODFADLR-UHFFFAOYSA-N 0 3 357.370 2.591 20 5 FFBDHN C[C@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)N1CCC[C@H](C)C1 ZINC000533823974 517629947 /nfs/dbraw/zinc/62/99/47/517629947.db2.gz CKCFWNCEUNXKAI-LSDHHAIUSA-N 0 3 360.458 2.783 20 5 FFBDHN CCc1nn(C)c(N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c1[N+](=O)[O-] ZINC000553337503 517653047 /nfs/dbraw/zinc/65/30/47/517653047.db2.gz LOTLBPDULMQNOE-FQEVSTJZSA-N 0 3 369.469 2.993 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@H](c2ccccc2F)C1 ZINC000549813501 517723743 /nfs/dbraw/zinc/72/37/43/517723743.db2.gz OZIGVOJUDQLXLP-GJZGRUSLSA-N 0 3 360.385 2.963 20 5 FFBDHN COc1cc(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000521670965 517821131 /nfs/dbraw/zinc/82/11/31/517821131.db2.gz CPTNZLOLAIQJRK-BETUJISGSA-N 0 3 365.430 2.605 20 5 FFBDHN CN(CCCN(C)Cc1ccco1)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000560538850 517880657 /nfs/dbraw/zinc/88/06/57/517880657.db2.gz USGRNJOKOSOFQH-UHFFFAOYSA-N 0 3 374.441 2.605 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000560558843 517895381 /nfs/dbraw/zinc/89/53/81/517895381.db2.gz VFMWDEIZYHWROM-ZIAGYGMSSA-N 0 3 367.471 2.510 20 5 FFBDHN CN(C)[C@@H](CC(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000563520589 517958218 /nfs/dbraw/zinc/95/82/18/517958218.db2.gz PQEOIIXDCIQVHM-SFHVURJKSA-N 0 3 357.410 2.783 20 5 FFBDHN O=[N+]([O-])c1cccc2ncnc(NCC3(N4CCSCC4)CCCC3)c21 ZINC000543437728 518090828 /nfs/dbraw/zinc/09/08/28/518090828.db2.gz RZBOEYNBGNGBGJ-UHFFFAOYSA-N 0 3 373.482 2.733 20 5 FFBDHN CS[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@@H]1N(C)C ZINC000534951806 518096297 /nfs/dbraw/zinc/09/62/97/518096297.db2.gz MPTAHRLKGTYITP-RDJZCZTQSA-N 0 3 353.488 2.859 20 5 FFBDHN CCN(CC)[C@@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000522482652 518117488 /nfs/dbraw/zinc/11/74/88/518117488.db2.gz ZXZLVTHFIJLKTI-KRWDZBQOSA-N 0 3 373.457 2.726 20 5 FFBDHN C[C@@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)N1CCCC[C@@H]1C ZINC000535282375 518173056 /nfs/dbraw/zinc/17/30/56/518173056.db2.gz VVUAHSCYWNADNB-GJZGRUSLSA-N 0 3 360.458 2.925 20 5 FFBDHN COC(=O)c1cc(CNCCc2ccc(Cl)cc2[N+](=O)[O-])cn1C ZINC000572526147 518233080 /nfs/dbraw/zinc/23/30/80/518233080.db2.gz WVNAUMSHBBOHDP-UHFFFAOYSA-N 0 3 351.790 2.706 20 5 FFBDHN Cc1n[nH]c(C(=O)NC[C@H](c2ccc(CC(C)C)cc2)N(C)C)c1[N+](=O)[O-] ZINC000564029837 518274481 /nfs/dbraw/zinc/27/44/81/518274481.db2.gz PRKILFJVAYJIGO-MRXNPFEDSA-N 0 3 373.457 2.858 20 5 FFBDHN CSC1(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)CCN(C)CC1 ZINC000569974179 518382440 /nfs/dbraw/zinc/38/24/40/518382440.db2.gz BBMIZRXZDCZYQC-UHFFFAOYSA-N 0 3 369.512 2.631 20 5 FFBDHN CCn1cc([C@@H]2NC(=O)CC[C@H]2N[C@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000581643198 518383854 /nfs/dbraw/zinc/38/38/54/518383854.db2.gz OLIVRWYXDIXEAE-XVSDVWIESA-N 0 3 371.441 2.790 20 5 FFBDHN CNc1ccc(C(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000581683486 518406334 /nfs/dbraw/zinc/40/63/34/518406334.db2.gz UAVNVLXWKAROSU-QGZVFWFLSA-N 0 3 372.425 2.678 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C(=O)N(C)CCCN(C)Cc2ccncc2)c1 ZINC000581846484 518465419 /nfs/dbraw/zinc/46/54/19/518465419.db2.gz UHRDXZHNIPNCRF-UHFFFAOYSA-N 0 3 372.425 2.593 20 5 FFBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000576194429 518473003 /nfs/dbraw/zinc/47/30/03/518473003.db2.gz CLOZVSFDNAZLSQ-UYAOXDASSA-N 0 3 355.438 2.567 20 5 FFBDHN COC(=O)c1cc(C)nc(N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000579154213 518546328 /nfs/dbraw/zinc/54/63/28/518546328.db2.gz XLVSUTXSHGAQOS-YRGRVCCFSA-N 0 3 364.446 2.863 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCN(CCCc3ccc4c(c3)CCO4)CC2)cn1 ZINC000564813628 518628257 /nfs/dbraw/zinc/62/82/57/518628257.db2.gz BMEYCOZRDYLZCD-UHFFFAOYSA-N 0 3 368.437 2.680 20 5 FFBDHN CSCc1ccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000579464754 518693760 /nfs/dbraw/zinc/69/37/60/518693760.db2.gz OJDOFOXCAAUTII-QGZVFWFLSA-N 0 3 362.451 2.987 20 5 FFBDHN C[C@H](NC(=O)N1CCc2ccccc2[C@H]1CN)c1cccc([N+](=O)[O-])c1 ZINC000564935548 518703427 /nfs/dbraw/zinc/70/34/27/518703427.db2.gz DMYGHDLRQQHIQZ-SCLBCKFNSA-N 0 3 354.410 2.924 20 5 FFBDHN CSc1ccc(F)cc1CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000573676998 518781743 /nfs/dbraw/zinc/78/17/43/518781743.db2.gz XYKLGZIVVBRVPB-AWEZNQCLSA-N 0 3 366.414 2.985 20 5 FFBDHN CCCc1n[nH]c(C(=O)NC[C@H](N[C@@H](C)CC)c2ccco2)c1[N+](=O)[O-] ZINC000588766969 518824249 /nfs/dbraw/zinc/82/42/49/518824249.db2.gz RFPAZYPMKWCXKR-AAEUAGOBSA-N 0 3 363.418 2.723 20 5 FFBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2cnn(CC(F)(F)F)c2)n1 ZINC000577051048 518891552 /nfs/dbraw/zinc/89/15/52/518891552.db2.gz GRMDYJCYDFBRGH-QWHCGFSZSA-N 0 3 372.351 2.824 20 5 FFBDHN CCc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)N(CC)CC)cc1 ZINC000571066017 518911268 /nfs/dbraw/zinc/91/12/68/518911268.db2.gz AUFPQSXMXUJYIN-INIZCTEOSA-N 0 3 359.430 2.693 20 5 FFBDHN CN(C)CCN(Cc1ccccc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589190856 518945766 /nfs/dbraw/zinc/94/57/66/518945766.db2.gz IMRAXKIWWDPFLQ-UHFFFAOYSA-N 0 3 371.437 2.930 20 5 FFBDHN CSC1(CNC(=O)Nc2cccc([N+](=O)[O-])c2C)CCN(C)CC1 ZINC000589315063 518980217 /nfs/dbraw/zinc/98/02/17/518980217.db2.gz ZPWNRWJKZFAVCT-UHFFFAOYSA-N 0 3 352.460 2.852 20 5 FFBDHN C[C@@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCCC[C@H]1C ZINC000565502242 518987622 /nfs/dbraw/zinc/98/76/22/518987622.db2.gz ABTQXLHMEPZTKM-NEPJUHHUSA-N 0 3 355.385 2.795 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000574243332 519057451 /nfs/dbraw/zinc/05/74/51/519057451.db2.gz DTXRNLDSLRITPY-CABCVRRESA-N 0 3 352.460 2.667 20 5 FFBDHN COc1ccc(NC(=O)CCN[C@@H](CO)c2ccccc2C)c([N+](=O)[O-])c1 ZINC000577468691 519095882 /nfs/dbraw/zinc/09/58/82/519095882.db2.gz ZEZWCWZLNQJZAH-KRWDZBQOSA-N 0 3 373.409 2.564 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCNC[C@@H](O)COc2ccccc2Cl)cc1 ZINC000566116313 519310836 /nfs/dbraw/zinc/31/08/36/519310836.db2.gz JWUSITITZVXYRB-CQSZACIVSA-N 0 3 366.801 2.657 20 5 FFBDHN CCN1CCN(Cc2ccccc2CNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000569149538 519402472 /nfs/dbraw/zinc/40/24/72/519402472.db2.gz MOEKGFSCCHVWRZ-UHFFFAOYSA-N 0 3 355.442 2.739 20 5 FFBDHN O=[N+]([O-])c1ccc([C@H](NCCCN2CCC(O)CC2)C(F)(F)F)cc1 ZINC000566345755 519445169 /nfs/dbraw/zinc/44/51/69/519445169.db2.gz JLMQRCBCQAWHPW-HNNXBMFYSA-N 0 3 361.364 2.635 20 5 FFBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCc2c1cnn2C ZINC000591019691 519479306 /nfs/dbraw/zinc/47/93/06/519479306.db2.gz VLYYUYFSSMNPQE-MRXNPFEDSA-N 0 3 357.414 2.666 20 5 FFBDHN O=[N+]([O-])c1cnc(N2CCCN(C[C@@H]3CCCO3)CC2)c(C(F)(F)F)c1 ZINC000591138783 519526879 /nfs/dbraw/zinc/52/68/79/519526879.db2.gz RPWZYPJMPUPHBZ-ZDUSSCGKSA-N 0 3 374.363 2.700 20 5 FFBDHN CN(C)C[C@@H]1COC2(CCCC2)CN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000602908508 519963887 /nfs/dbraw/zinc/96/38/87/519963887.db2.gz VICPSCNLAZGKBE-OAHLLOKOSA-N 0 3 373.457 2.546 20 5 FFBDHN C[C@](CO)(NC[C@H](O)Cc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000602963650 519997152 /nfs/dbraw/zinc/99/71/52/519997152.db2.gz YAJVPHFASGFBSV-QZTJIDSGSA-N 0 3 364.829 2.649 20 5 FFBDHN Cc1c(NC(=O)[C@H](C)N[C@H]2CCCN3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000594551507 520022877 /nfs/dbraw/zinc/02/28/77/520022877.db2.gz FLTBQCAUUYHFLJ-QILLFSRXSA-N 0 3 360.458 2.837 20 5 FFBDHN CN1Cc2ccccc2[C@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000591757272 520024863 /nfs/dbraw/zinc/02/48/63/520024863.db2.gz HQSBKQMPWYUVAQ-QGZVFWFLSA-N 0 3 354.410 2.700 20 5 FFBDHN COc1cccc([N+](=O)[O-])c1N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000594575566 520035665 /nfs/dbraw/zinc/03/56/65/520035665.db2.gz KMEQARLHSVAUNL-FQEVSTJZSA-N 0 3 371.437 2.677 20 5 FFBDHN O=[N+]([O-])c1cc2c(nc1N1CCCN(C[C@@H]3CCCO3)CC1)CCCC2 ZINC000591895809 520073565 /nfs/dbraw/zinc/07/35/65/520073565.db2.gz CLZUICORNRYWNN-INIZCTEOSA-N 0 3 360.458 2.560 20 5 FFBDHN Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000594793941 520161279 /nfs/dbraw/zinc/16/12/79/520161279.db2.gz WUTUVIZDBSJQCT-CQSZACIVSA-N 0 3 369.487 2.610 20 5 FFBDHN Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H]2CC[N@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000594793941 520161285 /nfs/dbraw/zinc/16/12/85/520161285.db2.gz WUTUVIZDBSJQCT-CQSZACIVSA-N 0 3 369.487 2.610 20 5 FFBDHN Cc1c(NC(=O)CCN2CCC[C@@H](n3ccnc3)C2)cccc1[N+](=O)[O-] ZINC000609157387 520212897 /nfs/dbraw/zinc/21/28/97/520212897.db2.gz HSWIFQRRJYJSOE-OAHLLOKOSA-N 0 3 357.414 2.765 20 5 FFBDHN COc1cc(CN[C@H](C)CN2CCC(C)CC2)c([N+](=O)[O-])cc1OC ZINC000594979856 520240559 /nfs/dbraw/zinc/24/05/59/520240559.db2.gz MNCJJTGEZUIXLI-CQSZACIVSA-N 0 3 351.447 2.822 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000595021897 520260221 /nfs/dbraw/zinc/26/02/21/520260221.db2.gz GMXNXOMBGQLZPK-ZIAGYGMSSA-N 0 3 350.415 2.982 20 5 FFBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000597859592 520285973 /nfs/dbraw/zinc/28/59/73/520285973.db2.gz VSGYGINELXBMJD-MRXNPFEDSA-N 0 3 374.485 2.800 20 5 FFBDHN CC(C)[C@H]1CN(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)CCN1 ZINC000592248276 520288608 /nfs/dbraw/zinc/28/86/08/520288608.db2.gz XZOHYKQLNRWBNM-DOTOQJQBSA-N 0 3 374.485 2.901 20 5 FFBDHN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@H](N2CCCCC2)C1 ZINC000609348046 520289799 /nfs/dbraw/zinc/28/97/99/520289799.db2.gz KCCPEUCBYWTJDJ-INIZCTEOSA-N 0 3 358.442 2.870 20 5 FFBDHN COC1CCN(C(C)(C)CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000609354688 520293280 /nfs/dbraw/zinc/29/32/80/520293280.db2.gz FHCDYSOMXDMSPQ-UHFFFAOYSA-N 0 3 364.446 2.914 20 5 FFBDHN Cc1cc(S(=O)(=O)NCC2(N(C)C)CCCCCC2)ccc1[N+](=O)[O-] ZINC000609673484 520403528 /nfs/dbraw/zinc/40/35/28/520403528.db2.gz DBBQQMQDCZDBQK-UHFFFAOYSA-N 0 3 369.487 2.836 20 5 FFBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@H](c2ccco2)C1 ZINC000609767260 520425784 /nfs/dbraw/zinc/42/57/84/520425784.db2.gz OQAHDGFANMPEEX-ZDUSSCGKSA-N 0 3 357.366 2.975 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CCCS(=O)(=O)C3)s2)cc1 ZINC000609851468 520457210 /nfs/dbraw/zinc/45/72/10/520457210.db2.gz MXJYGHNADLYGAF-ZDUSSCGKSA-N 0 3 366.464 2.990 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](CO)[C@@H](C)c1ccccc1 ZINC000613389279 520479607 /nfs/dbraw/zinc/47/96/07/520479607.db2.gz HTXWLXUNUSOCSJ-HOCLYGCPSA-N 0 3 357.410 2.596 20 5 FFBDHN CCN1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000595536196 520534704 /nfs/dbraw/zinc/53/47/04/520534704.db2.gz OPILITPXVQUEKE-LBPRGKRZSA-N 0 3 354.838 2.603 20 5 FFBDHN CC(C)(C)N1CC[C@H]1CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595584471 520570483 /nfs/dbraw/zinc/57/04/83/520570483.db2.gz GLQLXVSSJLMBIU-AWEZNQCLSA-N 0 3 368.865 2.963 20 5 FFBDHN C[C@@H]1CN(c2ccnc3ccc([N+](=O)[O-])cc32)CC[C@@H]1N1CCN(C)CC1 ZINC000601136833 520654157 /nfs/dbraw/zinc/65/41/57/520654157.db2.gz YRCDLALLEADRDE-BEFAXECRSA-N 0 3 369.469 2.605 20 5 FFBDHN COc1ccc(OCCNCCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000592994202 520674766 /nfs/dbraw/zinc/67/47/66/520674766.db2.gz KEUYGXZNVBEITR-UHFFFAOYSA-N 0 3 359.382 2.601 20 5 FFBDHN CC(C)O[C@H]1CCCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000593054493 520712034 /nfs/dbraw/zinc/71/20/34/520712034.db2.gz FADJHBWHWBDOON-HNNXBMFYSA-N 0 3 363.414 2.782 20 5 FFBDHN CC[C@@H]1COC(C)(C)CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000593056652 520714145 /nfs/dbraw/zinc/71/41/45/520714145.db2.gz MNXHFGHDZQMWFB-CYBMUJFWSA-N 0 3 365.430 2.821 20 5 FFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000598612511 520743007 /nfs/dbraw/zinc/74/30/07/520743007.db2.gz QABNONDTEPFOBP-HIFRSBDPSA-N 0 3 369.487 2.562 20 5 FFBDHN COC(=O)c1ccnc(N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000598614582 520743447 /nfs/dbraw/zinc/74/34/47/520743447.db2.gz LTOAOYBEIWCOPI-BBRMVZONSA-N 0 3 370.409 2.709 20 5 FFBDHN CC[C@@H](C)N[C@H](CNc1nccc(C(=O)OC)c1[N+](=O)[O-])c1ccco1 ZINC000598625409 520750472 /nfs/dbraw/zinc/75/04/72/520750472.db2.gz PNEFDRJWJQGTBB-DGCLKSJQSA-N 0 3 362.386 2.911 20 5 FFBDHN COC(=O)c1cc(CNCCc2ccccc2[N+](=O)[O-])n2c1CCCC2 ZINC000598634549 520754643 /nfs/dbraw/zinc/75/46/43/520754643.db2.gz NLCHTGNIZCJXRN-UHFFFAOYSA-N 0 3 357.410 2.852 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CC1=CCSC1 ZINC000595889059 520795707 /nfs/dbraw/zinc/79/57/07/520795707.db2.gz RJLJYQHOMWEKEL-UHFFFAOYSA-N 0 3 351.428 2.537 20 5 FFBDHN CN(C)C[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)c1ccc(Cl)cc1 ZINC000593240460 520850383 /nfs/dbraw/zinc/85/03/83/520850383.db2.gz HRGZFYZRBAVSOE-ZDUSSCGKSA-N 0 3 364.833 2.662 20 5 FFBDHN CN1CCC[C@]2(CCN(C(=O)C3(c4ccc([N+](=O)[O-])cc4)CCC3)C2)C1 ZINC000601602029 520862391 /nfs/dbraw/zinc/86/23/91/520862391.db2.gz FVZZVMICUVYFJE-IBGZPJMESA-N 0 3 357.454 2.961 20 5 FFBDHN CC(C)[C@H](O)[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000596065121 520890342 /nfs/dbraw/zinc/89/03/42/520890342.db2.gz DSVWOIZWWXHVSH-AHRSYUTCSA-N 0 3 374.437 2.682 20 5 FFBDHN O=[N+]([O-])c1cccc(Br)c1NC[C@H](O)CN1CCCCC1 ZINC000596076718 520897115 /nfs/dbraw/zinc/89/71/15/520897115.db2.gz CFLZGNJLYACYMM-NSHDSACASA-N 0 3 358.236 2.616 20 5 FFBDHN CN1CCC(n2ncc3cc(-c4cc([N+](=O)[O-])ccc4CO)cnc32)CC1 ZINC000598929945 520924605 /nfs/dbraw/zinc/92/46/05/520924605.db2.gz PSZYPUDKKDIHGU-UHFFFAOYSA-N 0 3 367.409 2.766 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)CCCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596140015 520934274 /nfs/dbraw/zinc/93/42/74/520934274.db2.gz AMLQPHFKMMACSR-HNNXBMFYSA-N 0 3 368.437 2.795 20 5 FFBDHN CN(C)[C@@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000593392195 520960958 /nfs/dbraw/zinc/96/09/58/520960958.db2.gz PVZSXLRWVFRKRJ-QGZVFWFLSA-N 0 3 359.401 2.566 20 5 FFBDHN CC1(C)CCC[C@](CO)(NCc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000598995699 520967615 /nfs/dbraw/zinc/96/76/15/520967615.db2.gz ZBLONORBKCDXSD-SFHVURJKSA-N 0 3 350.415 2.882 20 5 FFBDHN C[C@@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)CC[C@@H]1N1CCN(C)CC1 ZINC000593463958 521010136 /nfs/dbraw/zinc/01/01/36/521010136.db2.gz ALAQFNRJUXZWMV-BEFAXECRSA-N 0 3 369.469 2.605 20 5 FFBDHN COc1cc(NCc2ccc(CN3CC[C@H](O)C3)cc2)ccc1[N+](=O)[O-] ZINC000596423629 521062288 /nfs/dbraw/zinc/06/22/88/521062288.db2.gz MYEHOPZBWDRGNN-KRWDZBQOSA-N 0 3 357.410 2.782 20 5 FFBDHN C[C@@H](NC(=O)N1CCN(c2ccncc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000611375821 521125682 /nfs/dbraw/zinc/12/56/82/521125682.db2.gz RHNMZPFDKAQCSV-CQSZACIVSA-N 0 3 355.398 2.583 20 5 FFBDHN C[S@](=O)c1ccc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000618571897 521129213 /nfs/dbraw/zinc/12/92/13/521129213.db2.gz NHHSROLLOHXJJM-NWLBTCKQSA-N 0 3 362.455 2.802 20 5 FFBDHN O=[N+]([O-])c1ccc2[nH]c(N3CC[C@H](OCCN4CCCCC4)C3)nc2c1 ZINC000618588141 521136970 /nfs/dbraw/zinc/13/69/70/521136970.db2.gz QTSURTJAMRCIQS-HNNXBMFYSA-N 0 3 359.430 2.552 20 5 FFBDHN COc1cc(CNC2(CO)CCCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000611463094 521169343 /nfs/dbraw/zinc/16/93/43/521169343.db2.gz UUHBKDRVNDEKPD-UHFFFAOYSA-N 0 3 360.357 2.990 20 5 FFBDHN Cc1c(NC(=O)CCN2CCC[C@@H](OC(F)F)C2)cccc1[N+](=O)[O-] ZINC000611580112 521234161 /nfs/dbraw/zinc/23/41/61/521234161.db2.gz QXSOCSATOBFDDT-GFCCVEGCSA-N 0 3 357.357 2.935 20 5 FFBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(C)C2(CCCCC2)C1 ZINC000593997930 521337877 /nfs/dbraw/zinc/33/78/77/521337877.db2.gz DRMUXMCLSVSJCI-OAHLLOKOSA-N 0 3 360.458 2.872 20 5 FFBDHN CN1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC12CCCCC2 ZINC000593997742 521338289 /nfs/dbraw/zinc/33/82/89/521338289.db2.gz NMGMGGPYYLKGQN-UHFFFAOYSA-N 0 3 360.458 2.874 20 5 FFBDHN CN(C)C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(Cl)c(Cl)c1 ZINC000599626407 521341397 /nfs/dbraw/zinc/34/13/97/521341397.db2.gz FYMLTPUBNHKTIH-CQSZACIVSA-N 0 3 372.256 2.991 20 5 FFBDHN CCNC(=O)C(C)(C)CNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602574037 521417829 /nfs/dbraw/zinc/41/78/29/521417829.db2.gz FESZFASFYGCBDE-UHFFFAOYSA-N 0 3 364.265 2.671 20 5 FFBDHN O=[N+]([O-])c1ccc2oc(CNCC3(N4CCCCC4)CCOCC3)nc2c1 ZINC000602595563 521429102 /nfs/dbraw/zinc/42/91/02/521429102.db2.gz YVGUSIMHQYKSJC-UHFFFAOYSA-N 0 3 374.441 2.861 20 5 FFBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000594200366 521466910 /nfs/dbraw/zinc/46/69/10/521466910.db2.gz LADIVLITZKLPOF-FUHWJXTLSA-N 0 3 369.425 2.527 20 5 FFBDHN C[C@H]1C[C@H](N(C)C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CCN1C ZINC000597103910 521508682 /nfs/dbraw/zinc/50/86/82/521508682.db2.gz MQUMWIRNVRHAFU-GXSJLCMTSA-N 0 3 355.826 2.777 20 5 FFBDHN Cn1cc(CN2CC(C3CCOCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000619726623 521839689 /nfs/dbraw/zinc/83/96/89/521839689.db2.gz SZTQCQQOGNAAOS-UHFFFAOYSA-N 0 3 356.426 2.854 20 5 FFBDHN CC[C@@H]([NH2+]CCOc1ccccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000825140179 608552296 /nfs/dbraw/zinc/55/22/96/608552296.db2.gz JHMGWFFKHMNOOO-MRXNPFEDSA-N 0 3 368.397 2.895 20 5 FFBDHN CC[C@@H]([NH2+]CCOc1ccccc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000825140179 608552297 /nfs/dbraw/zinc/55/22/97/608552297.db2.gz JHMGWFFKHMNOOO-MRXNPFEDSA-N 0 3 368.397 2.895 20 5 FFBDHN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)CC1CCOCC1 ZINC000155784696 728836128 /nfs/dbraw/zinc/83/61/28/728836128.db2.gz GNPALBBBPKIKFG-NSHDSACASA-N 0 3 355.822 2.934 20 5 FFBDHN C[C@@H]1CCCN1CCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000744345145 735350484 /nfs/dbraw/zinc/35/04/84/735350484.db2.gz LALFSDRVCBIEGK-GFCCVEGCSA-N 0 3 360.439 2.932 20 5 FFBDHN CC[C@](C)(CC(=O)OC)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000134146003 728728833 /nfs/dbraw/zinc/72/88/33/728728833.db2.gz DHTLDMOYQVULRE-OAHLLOKOSA-N 0 3 357.794 2.508 20 5 FFBDHN CO[C@@H]1CN(C)[C@@](C)(COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000861345978 730602003 /nfs/dbraw/zinc/60/20/03/730602003.db2.gz BXUMUVXWNGKSAY-MAUKXSAKSA-N 0 3 350.415 2.525 20 5 FFBDHN CO[C@@H]1CN(C)[C@@](C)(COC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000861352740 730603276 /nfs/dbraw/zinc/60/32/76/730603276.db2.gz KBLBWDUJCDIMMU-SCLBCKFNSA-N 0 3 350.415 2.525 20 5 FFBDHN CC(C)[C@H](CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000872020348 731721164 /nfs/dbraw/zinc/72/11/64/731721164.db2.gz GJNAAKDXYZWAGP-YOEHRIQHSA-N 0 3 352.454 2.657 20 5 FFBDHN COCCO[C@@H]1COCC[C@@H]1N[C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872063801 731725611 /nfs/dbraw/zinc/72/56/11/731725611.db2.gz SQTKBSMFDWDIGV-UHOFOFEASA-N 0 3 370.471 2.788 20 5 FFBDHN Cc1c(CNCCCS(=O)(=O)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000873017330 731864240 /nfs/dbraw/zinc/86/42/40/731864240.db2.gz ZCNNFFIXARCUIW-UHFFFAOYSA-N 0 3 362.451 2.998 20 5 FFBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000874828668 732104716 /nfs/dbraw/zinc/10/47/16/732104716.db2.gz YDWCAOHAGXAPES-KGLIPLIRSA-N 0 3 357.332 2.922 20 5 FFBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000874837252 732105878 /nfs/dbraw/zinc/10/58/78/732105878.db2.gz KDHRYTIVDCPRMV-OLZOCXBDSA-N 0 3 357.332 2.922 20 5 FFBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000888288152 734032375 /nfs/dbraw/zinc/03/23/75/734032375.db2.gz CQBGLVFOVSDULT-RYUDHWBXSA-N 0 3 368.821 2.541 20 5 FFBDHN C[C@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000894081742 734798287 /nfs/dbraw/zinc/79/82/87/734798287.db2.gz BGTYOZVNGPYKQT-ONGXEEELSA-N 0 3 366.361 2.526 20 5 FFBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000897220406 735207937 /nfs/dbraw/zinc/20/79/37/735207937.db2.gz ASLDRYCVEADEEZ-OLZOCXBDSA-N 0 3 359.348 2.649 20 5 FFBDHN O=[N+]([O-])c1ccc2nc(N3CCCN(C[C@H]4CCCO4)CC3)sc2c1 ZINC000748272235 735632105 /nfs/dbraw/zinc/63/21/05/735632105.db2.gz MBHVYEDBRXIMAZ-CQSZACIVSA-N 0 3 362.455 2.896 20 5 FFBDHN O=[N+]([O-])c1cc(Br)ccc1CNC[C@H](O)CC(F)(F)F ZINC000905428008 736339500 /nfs/dbraw/zinc/33/95/00/736339500.db2.gz QGLJTCKMTUZRFJ-SECBINFHSA-N 0 3 357.126 2.760 20 5 FFBDHN CC(C)OCC[C@@H](O)CNCc1ccc(Br)cc1[N+](=O)[O-] ZINC000905429237 736339631 /nfs/dbraw/zinc/33/96/31/736339631.db2.gz YEOZDOHGDLWGPO-CYBMUJFWSA-N 0 3 361.236 2.623 20 5 FFBDHN O=C(CN[C@@H]1Cc2cccc(O)c2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000759710213 736588151 /nfs/dbraw/zinc/58/81/51/736588151.db2.gz CGOHHQLNFBQIOI-GFCCVEGCSA-N 0 3 361.785 2.649 20 5 FFBDHN C[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)N1CCCCC1 ZINC000770265142 737610355 /nfs/dbraw/zinc/61/03/55/737610355.db2.gz HUOIVBNJUNELEJ-NSHDSACASA-N 0 3 370.247 2.962 20 5 FFBDHN COC(=O)C(C)(C)[C@@H]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776597756 738212686 /nfs/dbraw/zinc/21/26/86/738212686.db2.gz MECYMXMUXMJSMG-ZBFHGGJFSA-N 0 3 350.415 2.539 20 5 FFBDHN COC(=O)[C@@H]1CCCC[C@]1(C)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792873670 739714178 /nfs/dbraw/zinc/71/41/78/739714178.db2.gz UOABRKGPDCMAJU-BBRMVZONSA-N 0 3 351.359 2.715 20 5 FFBDHN CS[C@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000804622365 740889845 /nfs/dbraw/zinc/88/98/45/740889845.db2.gz CMIKXFHFUMPQPD-KBPBESRZSA-N 0 3 352.416 2.519 20 5 FFBDHN COc1ccc(-c2nc(C)c(C(=O)OCC(C)[N+](=O)[O-])s2)cc1OC ZINC000813100140 741677066 /nfs/dbraw/zinc/67/70/66/741677066.db2.gz NOCAIMOGVOTPFK-VIFPVBQESA-N 0 3 366.395 2.958 20 5 FFBDHN CC(COC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813104794 741677223 /nfs/dbraw/zinc/67/72/23/741677223.db2.gz HNKUGCRXAPEJIA-NEPJUHHUSA-N 0 3 351.359 2.653 20 5 FFBDHN CC(COC(=O)[C@H](C)Oc1ccc(F)cc1Br)[N+](=O)[O-] ZINC000813111518 741678360 /nfs/dbraw/zinc/67/83/60/741678360.db2.gz UHBZIEBUNOKKSD-YUMQZZPRSA-N 0 3 350.140 2.564 20 5 FFBDHN CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(Cc2ccc(F)cc2Cl)CC1 ZINC001045436594 743273758 /nfs/dbraw/zinc/27/37/58/743273758.db2.gz SSRQQHSWEYLFDC-UKRRQHHQSA-N 0 3 369.824 2.615 20 5 FFBDHN CO[C@@](C)([C@@H](C)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000839637517 746877118 /nfs/dbraw/zinc/87/71/18/746877118.db2.gz FARQLZSTBODJHF-HWPZZCPQSA-N 0 3 355.822 2.980 20 5 FFBDHN CC(COC(=O)[C@H](C)CC(=O)c1cccc(Br)c1)[N+](=O)[O-] ZINC000842801970 747692984 /nfs/dbraw/zinc/69/29/84/747692984.db2.gz ODTYBHAICGZBOZ-ZJUUUORDSA-N 0 3 358.188 2.866 20 5 FFBDHN Cc1cc([C@@H](N)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc(Cl)n1 ZINC000843371922 747818998 /nfs/dbraw/zinc/81/89/98/747818998.db2.gz FFSKPGSUSQZGSD-AWEZNQCLSA-N 0 3 360.801 2.931 20 5 FFBDHN CC([C@@H](OC(=O)CCOC1CCOCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845873842 748341785 /nfs/dbraw/zinc/34/17/85/748341785.db2.gz DXAJQRQOAAZPBJ-YVEFUNNKSA-N 0 3 355.362 2.661 20 5 FFBDHN CC(C)CC(=O)NCCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845879478 748343460 /nfs/dbraw/zinc/34/34/60/748343460.db2.gz VKPRTHHQFNDLRQ-YVEFUNNKSA-N 0 3 354.378 2.628 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000873145213 1013401534 /nfs/dbraw/zinc/40/15/34/1013401534.db2.gz JBGNYKUCDJUCBY-SFHVURJKSA-N 0 3 370.453 2.597 20 5 FFBDHN CN(C)CCN(CCCc1ccccc1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000161400651 966956028 /nfs/dbraw/zinc/95/60/28/966956028.db2.gz BPJWFXKFINCWTJ-UHFFFAOYSA-N 0 3 370.453 2.814 20 5 FFBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000874847388 1013917278 /nfs/dbraw/zinc/91/72/78/1013917278.db2.gz PBMBBLHGKQLCHA-RBUKOAKNSA-N 0 3 372.469 2.894 20 5 FFBDHN COc1cccc(COCC(=N)NOCc2c(F)cccc2[N+](=O)[O-])c1 ZINC000728910582 977362043 /nfs/dbraw/zinc/36/20/43/977362043.db2.gz QBRHGBGDRNCACA-UHFFFAOYSA-N 0 3 363.345 2.958 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000876809103 1014402068 /nfs/dbraw/zinc/40/20/68/1014402068.db2.gz CQMKDISFWGMRKT-CRAIPNDOSA-N 0 3 358.442 2.891 20 5 FFBDHN Cc1c(C(=O)N[C@@H](C)CN2CCCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000126195795 1014403678 /nfs/dbraw/zinc/40/36/78/1014403678.db2.gz ANVYWRWNAKLRSS-NSHDSACASA-N 0 3 364.402 2.724 20 5 FFBDHN CN(C)[C@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000126320504 978358718 /nfs/dbraw/zinc/35/87/18/978358718.db2.gz MZMCSINMQBAYQB-GOSISDBHSA-N 0 3 356.426 2.739 20 5 FFBDHN Cn1ccnc1[C@H](Cc1ccccc1)NC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877612626 1014645384 /nfs/dbraw/zinc/64/53/84/1014645384.db2.gz MGHVZFPKNMIUKA-HTWSVDAQSA-N 0 3 366.425 2.802 20 5 FFBDHN CCOc1cc(C(=O)N2CCCN(CC)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000910293306 981901772 /nfs/dbraw/zinc/90/17/72/981901772.db2.gz NXCNJWAIBISPGW-CYBMUJFWSA-N 0 3 365.430 2.558 20 5 FFBDHN CC[C@@H](NCc1ccc(N2CCN(C)CC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000130505012 987370131 /nfs/dbraw/zinc/37/01/31/987370131.db2.gz OOERUPSOCYESIJ-LJQANCHMSA-N 0 3 369.469 2.983 20 5 FFBDHN O=C(c1cc2ccccc2c2cccnc12)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000673514239 988433659 /nfs/dbraw/zinc/43/36/59/988433659.db2.gz LVZDMHZMZZYRKR-IRXDYDNUSA-N 0 3 361.445 2.669 20 5 FFBDHN CC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000920767000 990917417 /nfs/dbraw/zinc/91/74/17/990917417.db2.gz CZZNBPIVJBVZKT-AWEZNQCLSA-N 0 3 356.386 2.512 20 5 FFBDHN CC(COC(=O)c1cccc(OCc2cn3ccccc3n2)c1)[N+](=O)[O-] ZINC000813110844 995625659 /nfs/dbraw/zinc/62/56/59/995625659.db2.gz KNFQGCSRDFMGRP-ZDUSSCGKSA-N 0 3 355.350 2.735 20 5 FFBDHN CC(COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1)[N+](=O)[O-] ZINC000813114244 995625941 /nfs/dbraw/zinc/62/59/41/995625941.db2.gz OGWUJNYOBYHGGD-SIXLDLHFSA-N 0 3 360.410 2.668 20 5 FFBDHN Cc1ccc([C@@H](CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000823997421 996773765 /nfs/dbraw/zinc/77/37/65/996773765.db2.gz CMMZHFLUTLQZGN-QGZVFWFLSA-N 0 3 357.414 2.910 20 5 FFBDHN CC([C@H](OC(=O)CCNC(=O)OC(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845878143 998677731 /nfs/dbraw/zinc/67/77/31/998677731.db2.gz URGPXGPBGCMBCO-ABAIWWIYSA-N 0 3 370.377 2.990 20 5 FFBDHN CC([C@@H](OC(=O)CCNC(=O)OC(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845878145 998677995 /nfs/dbraw/zinc/67/79/95/998677995.db2.gz URGPXGPBGCMBCO-IAQYHMDHSA-N 0 3 370.377 2.990 20 5 FFBDHN CC([C@H](OC(=O)c1ccc(N2CCCC2)nn1)c1ccccc1F)[N+](=O)[O-] ZINC000845878880 998678041 /nfs/dbraw/zinc/67/80/41/998678041.db2.gz WLOISGXPFHQKRP-PXAZEXFGSA-N 0 3 374.372 2.779 20 5 FFBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCN(c3ncccc3C(F)(F)F)CC2)C1 ZINC001169006825 1000014940 /nfs/dbraw/zinc/01/49/40/1000014940.db2.gz JKPOIRUHFQWICT-STQMWFEESA-N 0 3 358.364 2.668 20 5 FFBDHN NCc1ccc2c(n1)N(c1nc(C3CC3)nc(Cl)c1[N+](=O)[O-])CCC2 ZINC001169585017 1000062637 /nfs/dbraw/zinc/06/26/37/1000062637.db2.gz XCAUMZYDUSZWSO-UHFFFAOYSA-N 0 3 360.805 2.854 20 5 FFBDHN CC(C)N(C[C@@H](O)COc1ccccc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000770044659 1000663878 /nfs/dbraw/zinc/66/38/78/1000663878.db2.gz RHXJSRSMLDLSKA-UYAOXDASSA-N 0 3 374.437 2.779 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(c2ncco2)CC1 ZINC001196789460 1003956799 /nfs/dbraw/zinc/95/67/99/1003956799.db2.gz MFFLLBMVPYKYEC-UHFFFAOYSA-N 0 3 374.397 2.800 20 5 FFBDHN CNC(=O)c1ccc(CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000776574794 1005953828 /nfs/dbraw/zinc/95/38/28/1005953828.db2.gz LQRLWUXOZMQJAL-IBGZPJMESA-N 0 3 369.421 2.652 20 5 FFBDHN CC(C)(C)C(=O)NC[C@H]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776582265 1005962660 /nfs/dbraw/zinc/96/26/60/1005962660.db2.gz NPGYJZFWJWALEB-RHSMWYFYSA-N 0 3 363.458 2.503 20 5 FFBDHN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@]1(O)CCCN(Cc2ccccc2)C1 ZINC001135504712 1006982364 /nfs/dbraw/zinc/98/23/64/1006982364.db2.gz QQLKHHDBBSJTOW-LJQANCHMSA-N 0 3 355.394 2.560 20 5 FFBDHN Cc1cc(N2CCN(C)CC2)ccc1NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819398512 1008116858 /nfs/dbraw/zinc/11/68/58/1008116858.db2.gz TYALVTNFNKRTPX-HXUWFJFHSA-N 0 3 370.453 2.801 20 5 FFBDHN CCOc1cc(N2CCN(C[C@H]3C[C@]34CCOC4)CC2)ccc1[N+](=O)[O-] ZINC000886181381 1008599181 /nfs/dbraw/zinc/59/91/81/1008599181.db2.gz KNPQAJGWPZSXOH-BEFAXECRSA-N 0 3 361.442 2.542 20 5 FFBDHN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2CCN2C2CCCC2)cc1[N+](=O)[O-] ZINC000863029188 1010085233 /nfs/dbraw/zinc/08/52/33/1010085233.db2.gz BDHNURBAOMKPGK-AWEZNQCLSA-N 0 3 362.386 2.558 20 5 FFBDHN CCOC(=O)Cc1ccc(N2CCN(C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000825567441 1010794201 /nfs/dbraw/zinc/79/42/01/1010794201.db2.gz YSNMHUYDXBGUNY-UHFFFAOYSA-N 0 3 361.442 2.765 20 5 FFBDHN Cc1ncccc1NC(=O)[C@H](C)N[C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866369110 1010985015 /nfs/dbraw/zinc/98/50/15/1010985015.db2.gz HFLSMNNUMWIEJU-YPMHNXCESA-N 0 3 360.389 2.985 20 5 FFBDHN COC(=O)CCN([C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C1CC1 ZINC001173193149 1012335908 /nfs/dbraw/zinc/33/59/08/1012335908.db2.gz QTXIHPLUFTYQDF-NSHDSACASA-N 0 3 354.378 2.701 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)n2c(=N)sc3c2CCNC3)c1F ZINC001173195256 1012337586 /nfs/dbraw/zinc/33/75/86/1012337586.db2.gz DNEMFHNQAARPJC-SECBINFHSA-N 0 3 366.418 2.534 20 5 FFBDHN O=[N+]([O-])c1ccc2[nH]cc(-c3nc(-c4ccc5c(n4)CCNC5)no3)c2c1 ZINC001217223886 1032663926 /nfs/dbraw/zinc/66/39/26/1032663926.db2.gz KJZOPNRKSBHYCD-UHFFFAOYSA-N 0 3 362.349 2.834 20 5 FFBDHN COC(=O)[C@]12CN(Cc3ccc(C(C)C)c([N+](=O)[O-])c3)C[C@H]1COCC2 ZINC000475566174 1019501513 /nfs/dbraw/zinc/50/15/13/1019501513.db2.gz NURMSNWODOCVSI-HNAYVOBHSA-N 0 3 362.426 2.730 20 5 FFBDHN COc1cccc(COC[C@@H](O)CN[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000932181608 1020734828 /nfs/dbraw/zinc/73/48/28/1020734828.db2.gz XDOYRVVJPOKTJH-KDOFPFPSSA-N 0 3 360.410 2.832 20 5 FFBDHN Cc1nn(CN2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c2ncc([N+](=O)[O-])cc12 ZINC000840117175 1026964613 /nfs/dbraw/zinc/96/46/13/1026964613.db2.gz SKSGVOHMYIMWDP-USXIJHARSA-N 0 3 359.430 2.621 20 5 FFBDHN O=C(NCCC1=CCN(Cc2ccc(Cl)s2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001160090778 1027586163 /nfs/dbraw/zinc/58/61/63/1027586163.db2.gz OTEUXJFLRZYXNH-ZIAGYGMSSA-N 0 3 369.874 2.705 20 5 FFBDHN CNC(=O)c1ccc(N2CCN[C@@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC001164400826 1029274460 /nfs/dbraw/zinc/27/44/60/1029274460.db2.gz NDWFWRFFRPQRMT-OAHLLOKOSA-N 0 3 374.828 2.759 20 5 FFBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1cc([N+](=O)[O-])cn1C ZINC000797080953 1030990988 /nfs/dbraw/zinc/99/09/88/1030990988.db2.gz KUCZCSNEEFIHMB-NVXWUHKLSA-N 0 3 354.410 2.690 20 5 FFBDHN CN1CCC(Oc2ccc([N+](=O)[O-])c(I)c2)CC1 ZINC001227994216 1035859531 /nfs/dbraw/zinc/85/95/31/1035859531.db2.gz JQLCDKZVKNKDSO-UHFFFAOYSA-N 0 3 362.167 2.672 20 5 FFBDHN CCN1CC[C@H](Oc2cc(I)ccc2[N+](=O)[O-])C1 ZINC001229153050 1036525754 /nfs/dbraw/zinc/52/57/54/1036525754.db2.gz ZCGBZQNGBWTPOQ-JTQLQIEISA-N 0 3 362.167 2.672 20 5 FFBDHN CCN1CC[C@@H](Oc2cccc(I)c2[N+](=O)[O-])C1 ZINC001229656277 1036806194 /nfs/dbraw/zinc/80/61/94/1036806194.db2.gz ATISNDXGSOXZGY-SECBINFHSA-N 0 3 362.167 2.672 20 5 FFBDHN COc1c(C)cc([N+](=O)[O-])c(OC2CCN(C3CC3)CC2)c1[N+](=O)[O-] ZINC001229868906 1036947870 /nfs/dbraw/zinc/94/78/70/1036947870.db2.gz OXKDTPPLNVEHLG-UHFFFAOYSA-N 0 3 351.359 2.826 20 5 FFBDHN CC(=O)Nc1ccc(C(C)=O)c(O[C@@H]2C[C@H]3CC[C@@H](C2)N3C)c1[N+](=O)[O-] ZINC001234682845 1037138904 /nfs/dbraw/zinc/13/89/04/1037138904.db2.gz XNCKHQXKVVQMNG-BTTYYORXSA-N 0 3 361.398 2.760 20 5 FFBDHN COCCN1CCC(Oc2ncc([N+](=O)[O-])c(C)c2Br)CC1 ZINC001231096238 1037466951 /nfs/dbraw/zinc/46/69/51/1037466951.db2.gz XOFIIGJNHXRAEW-UHFFFAOYSA-N 0 3 374.235 2.550 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCNC[C@H]2C(F)(F)F)c1F ZINC001246993456 1039567567 /nfs/dbraw/zinc/56/75/67/1039567567.db2.gz TWKCBTMPBISCID-ZANVPECISA-N 0 3 365.327 2.510 20 5 FFBDHN COc1ccc(-c2noc(C[C@@H](N)c3ccccc3[N+](=O)[O-])n2)c(OC)c1 ZINC001249342140 1040691689 /nfs/dbraw/zinc/69/16/89/1040691689.db2.gz JWIOSGSYGWXAHO-CQSZACIVSA-N 0 3 370.365 2.905 20 5 FFBDHN CC1(C)CCN(CCNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC001539537145 1070654693 /nfs/dbraw/zinc/65/46/93/1070654693.db2.gz AKQAANONNKMOSC-UHFFFAOYSA-N 0 3 357.357 2.658 20 5 FFBDHN COC[C@H](NCc1ccc([N+](=O)[O-])cc1Br)C1CCOCC1 ZINC001327538331 1047940003 /nfs/dbraw/zinc/94/00/03/1047940003.db2.gz QKWWIYLKOUWPNU-HNNXBMFYSA-N 0 3 373.247 2.889 20 5 FFBDHN O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1ccc([C@@H]2CNCCO2)cc1 ZINC001340629662 1051007201 /nfs/dbraw/zinc/00/72/01/1051007201.db2.gz GSPUEPWKDZWPFR-SFHVURJKSA-N 0 3 373.384 2.966 20 5 FFBDHN C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001341145768 1051496158 /nfs/dbraw/zinc/49/61/58/1051496158.db2.gz RJLSLRGSABQCSK-SDDRHHMPSA-N 0 3 360.439 2.929 20 5 FFBDHN COC(=O)COc1ccc(CNC[C@@H]2OCc3ccccc32)cc1[N+](=O)[O-] ZINC001461818899 1061414562 /nfs/dbraw/zinc/41/45/62/1061414562.db2.gz FIEDLCWKHWVOBT-SFHVURJKSA-N 0 3 372.377 2.508 20 5 FFBDHN O=[N+]([O-])c1cc(I)cc(CNCCC(F)F)c1 ZINC001461822772 1061417034 /nfs/dbraw/zinc/41/70/34/1061417034.db2.gz YWGSPWVEFMAMBO-UHFFFAOYSA-N 0 3 356.110 2.944 20 5 FFBDHN C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC001470779882 1064449587 /nfs/dbraw/zinc/44/95/87/1064449587.db2.gz JWCBVQSDJMIVMU-YOEHRIQHSA-N 0 3 356.426 2.574 20 5 FFBDHN C[C@H]1NCCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)[C@H]1C ZINC001576893249 1078284723 /nfs/dbraw/zinc/28/47/23/1078284723.db2.gz FEPLVHKWIHDOPK-RQJHMYQMSA-N 0 3 350.177 2.863 20 5 FFBDHN C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCN1C1CCCC1 ZINC001559280884 1076145452 /nfs/dbraw/zinc/14/54/52/1076145452.db2.gz YYMLLRHYRSFPIJ-CYBMUJFWSA-N 0 3 358.442 2.933 20 5 FFBDHN C[C@@H]1CN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC(C)(C)C1 ZINC001559675384 1076181691 /nfs/dbraw/zinc/18/16/91/1076181691.db2.gz HPDIIEULWPZAJR-INIZCTEOSA-N 0 3 374.485 2.611 20 5 FFBDHN CCOc1cc(C(=O)N[C@H]2CCCN(C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC001567354557 1077020500 /nfs/dbraw/zinc/02/05/00/1077020500.db2.gz FBGUMFYXYRXJJN-ZDUSSCGKSA-N 0 3 365.430 2.605 20 5 FFBDHN CC(C)N1CCC[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC001567356437 1077021358 /nfs/dbraw/zinc/02/13/58/1077021358.db2.gz VYNUYBDQCYLGAZ-ZDUSSCGKSA-N 0 3 370.247 2.960 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)n1 ZINC001568116870 1077072224 /nfs/dbraw/zinc/07/22/24/1077072224.db2.gz HJPQOHUHZVAWTB-INIZCTEOSA-N 0 3 362.817 2.984 20 5 FFBDHN C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590188071 1081077299 /nfs/dbraw/zinc/07/72/99/1081077299.db2.gz PRDVKQCJBVROLQ-FRRDWIJNSA-N 0 3 359.434 2.553 20 5 FFBDHN C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590188071 1081077301 /nfs/dbraw/zinc/07/73/01/1081077301.db2.gz PRDVKQCJBVROLQ-FRRDWIJNSA-N 0 3 359.434 2.553 20 5 FFBDHN C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590188071 1081077304 /nfs/dbraw/zinc/07/73/04/1081077304.db2.gz PRDVKQCJBVROLQ-FRRDWIJNSA-N 0 3 359.434 2.553 20 5 FFBDHN C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590188071 1081077309 /nfs/dbraw/zinc/07/73/09/1081077309.db2.gz PRDVKQCJBVROLQ-FRRDWIJNSA-N 0 3 359.434 2.553 20 5 FFBDHN Cc1c(CNCCc2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C ZINC000105448265 250214413 /nfs/dbraw/zinc/21/44/13/250214413.db2.gz RAEHSXBFNXMIPQ-UHFFFAOYSA-N 0 3 366.421 2.725 20 5 FFBDHN CN(C)[C@@H]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000105327881 250209156 /nfs/dbraw/zinc/20/91/56/250209156.db2.gz ZFHGJICRFAOWBH-CQSZACIVSA-N 0 3 360.439 2.885 20 5 FFBDHN COc1cc(C(=O)N(CCN(C)C)Cc2cccc(O)c2)ccc1[N+](=O)[O-] ZINC000153293515 251122425 /nfs/dbraw/zinc/12/24/25/251122425.db2.gz FXCFJCIVYPBSAQ-UHFFFAOYSA-N 0 3 373.409 2.513 20 5 FFBDHN CS(=O)(=O)[C@H]1CCCC[C@H]1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272705519 252108268 /nfs/dbraw/zinc/10/82/68/252108268.db2.gz ZPBLLUAEARAIOA-HIFRSBDPSA-N 0 3 360.863 2.736 20 5 FFBDHN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C1=CCN(C)CC1 ZINC000272761513 252123681 /nfs/dbraw/zinc/12/36/81/252123681.db2.gz PRIKZBUKPXMEKQ-JTQLQIEISA-N 0 3 355.341 2.576 20 5 FFBDHN C[C@@]1(NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCO[C@H]1C1CC1 ZINC000273090948 252214005 /nfs/dbraw/zinc/21/40/05/252214005.db2.gz SPBSTJDUYVGYTK-JKSUJKDBSA-N 0 3 353.806 2.734 20 5 FFBDHN O=C(CCN1CCC(c2ncc[nH]2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000273205985 252250886 /nfs/dbraw/zinc/25/08/86/252250886.db2.gz UAXGFZVUPKYAEM-UHFFFAOYSA-N 0 3 361.377 2.665 20 5 FFBDHN CS[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@@H]1N1CCCC1 ZINC000275825026 256051831 /nfs/dbraw/zinc/05/18/31/256051831.db2.gz RQXQJBVESNWDSI-LSDHHAIUSA-N 0 3 368.434 2.777 20 5 FFBDHN CC(C)c1ccc(C(=O)Nc2ccc(=O)n(CCN(C)C)c2)cc1[N+](=O)[O-] ZINC000275914341 256058736 /nfs/dbraw/zinc/05/87/36/256058736.db2.gz WVNMIOVIAYOHOM-UHFFFAOYSA-N 0 3 372.425 2.694 20 5 FFBDHN O=c1[nH]ccc2c1CN(CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)CC2 ZINC000277010906 256151517 /nfs/dbraw/zinc/15/15/17/256151517.db2.gz XZRAZSGPVLHZPE-UHFFFAOYSA-N 0 3 366.377 2.951 20 5 FFBDHN CC(C)NC(=O)c1ccc(N2CCC[C@@H]3CN(C)CC[C@H]32)c([N+](=O)[O-])c1 ZINC000277087723 256160286 /nfs/dbraw/zinc/16/02/86/256160286.db2.gz VFLMFYXWPBPFIS-HZPDHXFCSA-N 0 3 360.458 2.654 20 5 FFBDHN O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC[C@H]1CCCCN1C1CC1 ZINC000277463564 256200551 /nfs/dbraw/zinc/20/05/51/256200551.db2.gz PINSLCZPNNCFBT-OAHLLOKOSA-N 0 3 360.414 2.980 20 5 FFBDHN C[C@@H]1CN(CCCNc2ncc([N+](=O)[O-])cc2Br)CCCO1 ZINC000277568700 256212429 /nfs/dbraw/zinc/21/24/29/256212429.db2.gz AZWQIWOYENESRC-LLVKDONJSA-N 0 3 373.251 2.665 20 5 FFBDHN O=C(NC[C@@H]1CCCCN1C1CC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000277630225 256219537 /nfs/dbraw/zinc/21/95/37/256219537.db2.gz XDMNMJALOOTBMM-AWEZNQCLSA-N 0 3 370.409 2.595 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000282887909 256799660 /nfs/dbraw/zinc/79/96/60/256799660.db2.gz SMSHSCMTGMQRHH-KBXCAEBGSA-N 0 3 364.442 2.651 20 5 FFBDHN CCOc1ccc(NC(=O)CN([C@@H](C)CO)C2CCCC2)c([N+](=O)[O-])c1 ZINC000287934711 257131313 /nfs/dbraw/zinc/13/13/13/257131313.db2.gz WZAYTOGFKYNDDL-ZDUSSCGKSA-N 0 3 365.430 2.557 20 5 FFBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000288198760 257159113 /nfs/dbraw/zinc/15/91/13/257159113.db2.gz CMDUAHYSMXLYEE-NVXWUHKLSA-N 0 3 372.469 2.894 20 5 FFBDHN O=C(CCN1CC2(CCC2)[C@H]1[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000289419091 257280124 /nfs/dbraw/zinc/28/01/24/257280124.db2.gz BSYLRKKCMAFFKJ-FUHWJXTLSA-N 0 3 359.426 2.957 20 5 FFBDHN Cn1cc(CN2CC[C@@H](n3cccn3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000291351704 257399291 /nfs/dbraw/zinc/39/92/91/257399291.db2.gz XGOGSPKMRNAGCR-QGZVFWFLSA-N 0 3 352.398 2.639 20 5 FFBDHN Cc1cc(Nc2cnn(CCN(C)C)c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301088491 258023753 /nfs/dbraw/zinc/02/37/53/258023753.db2.gz HBTJNRUXHYFLMO-UHFFFAOYSA-N 0 3 367.413 2.862 20 5 FFBDHN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@@H]1CN1CCCC1 ZINC000299613416 258010175 /nfs/dbraw/zinc/01/01/75/258010175.db2.gz ZFNUBHUSDSIYQL-QGZVFWFLSA-N 0 3 372.469 2.895 20 5 FFBDHN CCN1CCCC[C@@H]1CNc1c([N+](=O)[O-])cc(CO)c(C)c1[N+](=O)[O-] ZINC000301557120 258055866 /nfs/dbraw/zinc/05/58/66/258055866.db2.gz SMXRGFCYDOZBOX-CYBMUJFWSA-N 0 3 352.391 2.590 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000330691303 258168335 /nfs/dbraw/zinc/16/83/35/258168335.db2.gz BCWRWYNUVGNVTC-RDJZCZTQSA-N 0 3 363.458 2.961 20 5 FFBDHN C[C@H]1C[C@@H](N(C)C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCN1C ZINC000330783050 258170506 /nfs/dbraw/zinc/17/05/06/258170506.db2.gz HRWUWZBYUGSXLM-JQWIXIFHSA-N 0 3 357.357 2.751 20 5 FFBDHN C[C@@H]1CCCN(c2ccc(C(=O)N3CCC[C@H](N(C)C)C3)cc2[N+](=O)[O-])C1 ZINC000332378587 258228054 /nfs/dbraw/zinc/22/80/54/258228054.db2.gz NTTVVAQSTIAELO-WBVHZDCISA-N 0 3 374.485 2.997 20 5 FFBDHN C[C@@H]1CN2CCCC[C@H]2CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000332474806 258231673 /nfs/dbraw/zinc/23/16/73/258231673.db2.gz KZQJCBUARLCRDO-OCCSQVGLSA-N 0 3 366.849 2.745 20 5 FFBDHN Cn1cc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c(C(F)(F)F)n1 ZINC000331687422 258196449 /nfs/dbraw/zinc/19/64/49/258196449.db2.gz XUSOVZSJPYUTOF-NEPJUHHUSA-N 0 3 372.351 2.817 20 5 FFBDHN CCOc1ccc(OCCN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000373240493 512236734 /nfs/dbraw/zinc/23/67/34/512236734.db2.gz DCMGFJKRDHMZSE-UHFFFAOYSA-N 0 3 360.414 2.906 20 5 FFBDHN CNC(=O)c1ccc(NC[C@@H](C)N2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000053558305 506405698 /nfs/dbraw/zinc/40/56/98/506405698.db2.gz NLIMTSTWTARIQB-CQSZACIVSA-N 0 3 368.437 2.813 20 5 FFBDHN CN(C)[C@H]1Cc2ccccc2N(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000067208419 506794791 /nfs/dbraw/zinc/79/47/91/506794791.db2.gz INKKWYBEMHZRRT-INIZCTEOSA-N 0 3 370.365 2.636 20 5 FFBDHN CNC(=O)c1ccc(NC[C@@H](c2ccc(C)cc2)N(C)C)c([N+](=O)[O-])c1 ZINC000067383132 506854565 /nfs/dbraw/zinc/85/45/65/506854565.db2.gz BPDLDKUQOOXPHZ-SFHVURJKSA-N 0 3 356.426 2.978 20 5 FFBDHN C[C@@H]1CN(C[C@@H]2CCCN2CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000067387604 506856600 /nfs/dbraw/zinc/85/66/00/506856600.db2.gz BIKLOTAFLNMHLQ-NUJGCVRESA-N 0 3 363.458 2.547 20 5 FFBDHN CN(C)CCN(Cc1ccccc1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000067724901 506991030 /nfs/dbraw/zinc/99/10/30/506991030.db2.gz ZJQBBPUEVQSRAU-UHFFFAOYSA-N 0 3 356.426 2.868 20 5 FFBDHN CN(C)CCOc1cccc(CNC(=O)NCc2ccccc2[N+](=O)[O-])c1 ZINC000045622712 506994300 /nfs/dbraw/zinc/99/43/00/506994300.db2.gz IPJODCXWQCEHRR-UHFFFAOYSA-N 0 3 372.425 2.535 20 5 FFBDHN C[C@@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCCC[C@H]1C ZINC000067830429 507020450 /nfs/dbraw/zinc/02/04/50/507020450.db2.gz LCVDQMPWFRYJEE-CABCVRRESA-N 0 3 358.442 2.929 20 5 FFBDHN CN(C)CCOc1ccc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000045794380 507021920 /nfs/dbraw/zinc/02/19/20/507021920.db2.gz RKOWALBVMCMXLL-UHFFFAOYSA-N 0 3 358.398 2.857 20 5 FFBDHN CN(C)C[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000015583774 507049866 /nfs/dbraw/zinc/04/98/66/507049866.db2.gz ZGTCDVRVQHZVHT-KRWDZBQOSA-N 0 3 356.426 2.816 20 5 FFBDHN CCN1CCN(Cc2ccc(CNc3ccc([N+](=O)[O-])cn3)cc2)CC1 ZINC000047272518 507297707 /nfs/dbraw/zinc/29/77/07/507297707.db2.gz FOXUELJWIFDQNO-UHFFFAOYSA-N 0 3 355.442 2.739 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCN(C(C)C)C(C)C)cc1C ZINC000060497788 507552407 /nfs/dbraw/zinc/55/24/07/507552407.db2.gz ZWGHDGZJIYBRPY-UHFFFAOYSA-N 0 3 357.476 2.609 20 5 FFBDHN C[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000026713229 507604162 /nfs/dbraw/zinc/60/41/62/507604162.db2.gz XIWLHQOHSZOVIU-FZMZJTMJSA-N 0 3 352.337 2.964 20 5 FFBDHN CC(C)CN1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000049969381 507645879 /nfs/dbraw/zinc/64/58/79/507645879.db2.gz FBADTLAPTHNINU-ZDUSSCGKSA-N 0 3 368.865 2.849 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C1CCN(C(C)C)CC1 ZINC000063518205 507743310 /nfs/dbraw/zinc/74/33/10/507743310.db2.gz SWCGFKAKNKMRGW-UHFFFAOYSA-N 0 3 369.487 2.651 20 5 FFBDHN CCN1CCC[C@@H]1CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000051341616 507762672 /nfs/dbraw/zinc/76/26/72/507762672.db2.gz HZNYDNYNSCJMFG-CQSZACIVSA-N 0 3 360.439 2.932 20 5 FFBDHN C[C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCCC1 ZINC000051342879 507763972 /nfs/dbraw/zinc/76/39/72/507763972.db2.gz REXSRKOJVCQPIQ-LBPRGKRZSA-N 0 3 360.439 2.932 20 5 FFBDHN CN(C)[C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])c1cccs1 ZINC000029186096 507767663 /nfs/dbraw/zinc/76/76/63/507767663.db2.gz SBRRFXCHRMLLBK-CQSZACIVSA-N 0 3 359.411 2.608 20 5 FFBDHN C[C@H]1CCC[C@@](CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])(N(C)C)C1 ZINC000089619889 507850843 /nfs/dbraw/zinc/85/08/43/507850843.db2.gz CSLFUNYBPZPGJW-SUMWQHHRSA-N 0 3 369.487 2.921 20 5 FFBDHN C[C@H]1CCC[C@](CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])(N(C)C)C1 ZINC000089619895 507851234 /nfs/dbraw/zinc/85/12/34/507851234.db2.gz CSLFUNYBPZPGJW-GUYCJALGSA-N 0 3 369.487 2.921 20 5 FFBDHN CC1CCN(c2ccc(C(=O)NC[C@@H]3CCCN(C)C3)cc2[N+](=O)[O-])CC1 ZINC000108341364 507888215 /nfs/dbraw/zinc/88/82/15/507888215.db2.gz JSXNORCJCVZCRN-INIZCTEOSA-N 0 3 374.485 2.903 20 5 FFBDHN CCN1CCC(n2nccc2NC(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC1 ZINC000073079989 507891447 /nfs/dbraw/zinc/89/14/47/507891447.db2.gz XBWULONRCMSGBH-UHFFFAOYSA-N 0 3 372.429 2.742 20 5 FFBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000090554211 507927528 /nfs/dbraw/zinc/92/75/28/507927528.db2.gz SYPQISBOKKOPGP-UHFFFAOYSA-N 0 3 367.409 2.512 20 5 FFBDHN C[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)N(C)Cc1ccccc1 ZINC000110966866 508061508 /nfs/dbraw/zinc/06/15/08/508061508.db2.gz NMAQZJXQOOLGIK-ZDUSSCGKSA-N 0 3 367.409 2.721 20 5 FFBDHN CCc1ccc(C2=CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000093262747 508131962 /nfs/dbraw/zinc/13/19/62/508131962.db2.gz ZASDAFUFOWGTBO-LJQANCHMSA-N 0 3 356.426 2.504 20 5 FFBDHN CC1CCN(CCNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000077524075 508327613 /nfs/dbraw/zinc/32/76/13/508327613.db2.gz RXNIZKCZDBHZOK-UHFFFAOYSA-N 0 3 360.458 2.975 20 5 FFBDHN CC1CCN(c2ccc(C(=O)N3CCC[C@@H](N(C)C)C3)cc2[N+](=O)[O-])CC1 ZINC000106364813 508399801 /nfs/dbraw/zinc/39/98/01/508399801.db2.gz FGPKYEIRRQHVRY-QGZVFWFLSA-N 0 3 374.485 2.997 20 5 FFBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000157202990 508536677 /nfs/dbraw/zinc/53/66/77/508536677.db2.gz HAJOZZWQRQTNLP-PBHICJAKSA-N 0 3 358.442 2.725 20 5 FFBDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000157300454 508548955 /nfs/dbraw/zinc/54/89/55/508548955.db2.gz LJJSIBKUIMAUEW-UHFFFAOYSA-N 0 3 361.373 2.644 20 5 FFBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000122900777 508604667 /nfs/dbraw/zinc/60/46/67/508604667.db2.gz ZYZCYIQCLLDJGU-LLVKDONJSA-N 0 3 370.247 2.771 20 5 FFBDHN Cc1cc(NC(=O)NC2CCN(CCOC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000153657895 508618820 /nfs/dbraw/zinc/61/88/20/508618820.db2.gz WXSRTNNZRMAPMF-UHFFFAOYSA-N 0 3 364.446 2.914 20 5 FFBDHN COc1cc(CNC[C@@](C)(O)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000157830966 508619401 /nfs/dbraw/zinc/61/94/01/508619401.db2.gz FNBQBWRUDPZLHY-GOSISDBHSA-N 0 3 364.373 2.748 20 5 FFBDHN O=C(CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1cccc(F)c1 ZINC000118866463 508688487 /nfs/dbraw/zinc/68/84/87/508688487.db2.gz HZFLEDVYHICCGH-OAHLLOKOSA-N 0 3 373.388 2.644 20 5 FFBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccc(-n4cccn4)cc3)C2)nc1 ZINC000118866495 508688808 /nfs/dbraw/zinc/68/88/08/508688808.db2.gz LWOUHMXXDLSYNZ-MRXNPFEDSA-N 0 3 364.409 2.862 20 5 FFBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C2 ZINC000154097338 508716641 /nfs/dbraw/zinc/71/66/41/508716641.db2.gz LMNZQGOEBPAEJU-QWHCGFSZSA-N 0 3 368.231 2.666 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CN1Cc1ccccc1 ZINC000137431698 508756560 /nfs/dbraw/zinc/75/65/60/508756560.db2.gz YVMAOMFZVKPBQA-IUODEOHRSA-N 0 3 372.400 2.709 20 5 FFBDHN COc1cc(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000137476396 508757529 /nfs/dbraw/zinc/75/75/29/508757529.db2.gz WLSZNRQAIHCRDW-PBHICJAKSA-N 0 3 369.421 2.996 20 5 FFBDHN CN(C)[C@@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])c1ccccc1 ZINC000137967759 508767430 /nfs/dbraw/zinc/76/74/30/508767430.db2.gz MODAGAZJDLRLIV-KRWDZBQOSA-N 0 3 353.382 2.546 20 5 FFBDHN Cc1c([C@@H](C)NCc2ccnc(N3CCN(C)CC3)c2)cccc1[N+](=O)[O-] ZINC000159165611 508801602 /nfs/dbraw/zinc/80/16/02/508801602.db2.gz ARQUTBXCAIKOHX-MRXNPFEDSA-N 0 3 369.469 2.901 20 5 FFBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(C2CCCCC2)CC1 ZINC000141742972 508818570 /nfs/dbraw/zinc/81/85/70/508818570.db2.gz QYZZNILGRLOMDA-OAHLLOKOSA-N 0 3 360.458 2.872 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000119593786 508825157 /nfs/dbraw/zinc/82/51/57/508825157.db2.gz WNDFNMFVYCTQEZ-BEFAXECRSA-N 0 3 368.437 2.915 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000119749399 508855976 /nfs/dbraw/zinc/85/59/76/508855976.db2.gz MAABMHMPKPHZLZ-QAPCUYQASA-N 0 3 353.422 2.774 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC2CCN(C(C)(C)C)CC2)c1C ZINC000119804675 508866181 /nfs/dbraw/zinc/86/61/81/508866181.db2.gz LRUJJSGKBMWUQT-UHFFFAOYSA-N 0 3 369.487 2.753 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](OCC(C)C)C1 ZINC000119874131 508881756 /nfs/dbraw/zinc/88/17/56/508881756.db2.gz JEULZMRYLIHUQN-OAHLLOKOSA-N 0 3 365.430 2.679 20 5 FFBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])CCC(=O)OC(C)(C)C ZINC000150830025 508902787 /nfs/dbraw/zinc/90/27/87/508902787.db2.gz XMOPCOOAWJWQRX-UHFFFAOYSA-N 0 3 351.403 2.587 20 5 FFBDHN C[C@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)N1CCC(C)CC1 ZINC000125337101 508967511 /nfs/dbraw/zinc/96/75/11/508967511.db2.gz YLFQEVPKQYAUHF-OAHLLOKOSA-N 0 3 360.458 2.783 20 5 FFBDHN C[C@H](Nc1ccc(C(=O)N2CCCNCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000160820783 509037252 /nfs/dbraw/zinc/03/72/52/509037252.db2.gz KIEGIWMHLQVLGV-AWEZNQCLSA-N 0 3 369.425 2.598 20 5 FFBDHN CN(C)[C@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000161136299 509076164 /nfs/dbraw/zinc/07/61/64/509076164.db2.gz ZUHJXMQTSAPRNL-LJQANCHMSA-N 0 3 368.437 2.965 20 5 FFBDHN O=C(NC[C@@H]1CCN(C2CC2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000126672458 509110907 /nfs/dbraw/zinc/11/09/07/509110907.db2.gz JMAQVGOSVLKZEB-LBPRGKRZSA-N 0 3 372.450 2.932 20 5 FFBDHN COC(=O)[C@@H]1CCCCC[C@@H]1NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000162415918 509219100 /nfs/dbraw/zinc/21/91/00/509219100.db2.gz YWQODZBZTUEHSH-CABCVRRESA-N 0 3 363.414 2.553 20 5 FFBDHN CCN1CCN([C@@H]2CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C2)CC1 ZINC000266987098 509294640 /nfs/dbraw/zinc/29/46/40/509294640.db2.gz SOZCILFKFQYHPU-CQSZACIVSA-N 0 3 372.391 2.830 20 5 FFBDHN O=[N+]([O-])c1cc(CN2CCN(C3CCCCC3)CC2)c2c(c1)COCO2 ZINC000163147669 509345503 /nfs/dbraw/zinc/34/55/03/509345503.db2.gz VCMFDAZWTQZQRT-UHFFFAOYSA-N 0 3 361.442 2.912 20 5 FFBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173028600 509357306 /nfs/dbraw/zinc/35/73/06/509357306.db2.gz HFJQKRUGIIZHJD-UHFFFAOYSA-N 0 3 359.401 2.867 20 5 FFBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000179367581 509405027 /nfs/dbraw/zinc/40/50/27/509405027.db2.gz VEOXTEQXXPKOMN-ACJLOTCBSA-N 0 3 356.426 2.561 20 5 FFBDHN C[C@H]1C[C@@H](N(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])CCN1C ZINC000267428318 509476709 /nfs/dbraw/zinc/47/67/09/509476709.db2.gz CCYFAPWRIXRXOA-JQWIXIFHSA-N 0 3 370.247 2.912 20 5 FFBDHN CN(CCN(C)C1CC1)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000192383526 509495947 /nfs/dbraw/zinc/49/59/47/509495947.db2.gz AKKJBJYNDPXQFY-UHFFFAOYSA-N 0 3 356.220 2.524 20 5 FFBDHN COC(=O)c1cnc(NC[C@@H]2CCCN2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000189300284 509508227 /nfs/dbraw/zinc/50/82/27/509508227.db2.gz AFXSSMUGPFQFLL-INIZCTEOSA-N 0 3 370.409 2.853 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000248843948 509508846 /nfs/dbraw/zinc/50/88/46/509508846.db2.gz OBVFGPVNMNDHLX-FZKQIMNGSA-N 0 3 357.385 2.984 20 5 FFBDHN COC(=O)[C@@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C ZINC000249119395 509612138 /nfs/dbraw/zinc/61/21/38/509612138.db2.gz SMTIKIQJZILMKB-XJKSGUPXSA-N 0 3 373.409 2.923 20 5 FFBDHN CC(C)C[C@H]1OCCC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000186344318 509661093 /nfs/dbraw/zinc/66/10/93/509661093.db2.gz IUIBMPHRDOCJTB-IAGOWNOFSA-N 0 3 370.471 2.552 20 5 FFBDHN CN1CCN(C)[C@@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000264767519 509692327 /nfs/dbraw/zinc/69/23/27/509692327.db2.gz QETRGTNZSGRSPD-INIZCTEOSA-N 0 3 360.483 2.659 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)CC[C@H]2CCCCN2C)c1C ZINC000173668515 509708616 /nfs/dbraw/zinc/70/86/16/509708616.db2.gz AOIUTEMNVPELPV-OAHLLOKOSA-N 0 3 369.487 2.707 20 5 FFBDHN CN(CCCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)Cc1ccccc1 ZINC000180013230 509710200 /nfs/dbraw/zinc/71/02/00/509710200.db2.gz RRELYULUAORAJH-UHFFFAOYSA-N 0 3 371.393 2.575 20 5 FFBDHN CCOC[C@H](N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000189799304 509758379 /nfs/dbraw/zinc/75/83/79/509758379.db2.gz NOBWNJWVSRMKNM-DOMZBBRYSA-N 0 3 353.419 2.581 20 5 FFBDHN COCCOCCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000264989056 509811557 /nfs/dbraw/zinc/81/15/57/509811557.db2.gz WMYODVYWNOYDIF-UHFFFAOYSA-N 0 3 351.428 2.861 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)cc1SC ZINC000177073649 509854341 /nfs/dbraw/zinc/85/43/41/509854341.db2.gz VURIHQHJSWRKDB-QWRGUYRKSA-N 0 3 365.455 2.680 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)cc1SC ZINC000177073674 509855233 /nfs/dbraw/zinc/85/52/33/509855233.db2.gz VURIHQHJSWRKDB-WDEREUQCSA-N 0 3 365.455 2.680 20 5 FFBDHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000268336893 509875597 /nfs/dbraw/zinc/87/55/97/509875597.db2.gz GEQYWZQDEIRWSE-GXFFZTMASA-N 0 3 370.247 2.816 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCC[C@@H]2c2cc3ccccc3[nH]2)c1 ZINC000245446675 509943049 /nfs/dbraw/zinc/94/30/49/509943049.db2.gz LILSXLFDWVYFNM-VQIMIIECSA-N 0 3 369.425 2.861 20 5 FFBDHN COCCN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000171128091 509958547 /nfs/dbraw/zinc/95/85/47/509958547.db2.gz KWEMCXHEOYJZRO-UHFFFAOYSA-N 0 3 373.409 2.695 20 5 FFBDHN CCN(CC)[C@H](CNc1ncc(C(=O)OC)cc1[N+](=O)[O-])c1ccco1 ZINC000190170367 509983395 /nfs/dbraw/zinc/98/33/95/509983395.db2.gz BDKKXPLHOSMVFU-CQSZACIVSA-N 0 3 362.386 2.864 20 5 FFBDHN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)C2CCN(C)CC2)CC1 ZINC000171222523 510017813 /nfs/dbraw/zinc/01/78/13/510017813.db2.gz CZLKAFNOQXBLEF-UHFFFAOYSA-N 0 3 374.485 2.997 20 5 FFBDHN C[C@@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@@H](CN)C1 ZINC000261759756 510054288 /nfs/dbraw/zinc/05/42/88/510054288.db2.gz JQJAEHONNQERKC-HZPDHXFCSA-N 0 3 363.461 2.741 20 5 FFBDHN C[C@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@H](CN)C1 ZINC000261759750 510054447 /nfs/dbraw/zinc/05/44/47/510054447.db2.gz JQJAEHONNQERKC-HOTGVXAUSA-N 0 3 363.461 2.741 20 5 FFBDHN N[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1c1ccccc1 ZINC000261831964 510081637 /nfs/dbraw/zinc/08/16/37/510081637.db2.gz SYNPVSBDZDQMJJ-DOTOQJQBSA-N 0 3 359.813 2.744 20 5 FFBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](N2CCCCC2)C1 ZINC000265582491 510126652 /nfs/dbraw/zinc/12/66/52/510126652.db2.gz PVWUZZUEXLJZTO-HNNXBMFYSA-N 0 3 351.834 2.878 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000193947938 510143143 /nfs/dbraw/zinc/14/31/43/510143143.db2.gz JCTBIILOVMSSRH-KBPBESRZSA-N 0 3 364.446 2.523 20 5 FFBDHN O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000194107125 510218436 /nfs/dbraw/zinc/21/84/36/510218436.db2.gz SUTFAQGUYXPPKH-GOSISDBHSA-N 0 3 368.437 2.916 20 5 FFBDHN COc1cc(CNCCc2nn(C)c3ccccc23)c([N+](=O)[O-])cc1OC ZINC000187391628 510239502 /nfs/dbraw/zinc/23/95/02/510239502.db2.gz BYKOMQCBYXNTBU-UHFFFAOYSA-N 0 3 370.409 2.831 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000174721317 510269085 /nfs/dbraw/zinc/26/90/85/510269085.db2.gz MVZOVJDKHONBLT-HOTGVXAUSA-N 0 3 350.806 2.643 20 5 FFBDHN CCO[C@H]1C[C@H](O)C12CCN(CCCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000265922836 510301548 /nfs/dbraw/zinc/30/15/48/510301548.db2.gz CDYHBVVPNCZSOU-ROUUACIJSA-N 0 3 364.442 2.616 20 5 FFBDHN COc1cc(CN[C@H](CC(N)=O)C2CCCCC2)c([N+](=O)[O-])cc1F ZINC000184405670 510309369 /nfs/dbraw/zinc/30/93/69/510309369.db2.gz KCQXCTYQIGENRC-CQSZACIVSA-N 0 3 353.394 2.656 20 5 FFBDHN Cc1ccc([C@H](C)NCCN2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000177966916 510350751 /nfs/dbraw/zinc/35/07/51/510350751.db2.gz CZMRRVNSPOGSCN-ZDUSSCGKSA-N 0 3 353.378 2.850 20 5 FFBDHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2cccnc2)cc1 ZINC000181323430 510356631 /nfs/dbraw/zinc/35/66/31/510356631.db2.gz JBTVCBADPPEYNY-AUUYWEPGSA-N 0 3 367.409 2.565 20 5 FFBDHN CCc1n[nH]c(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000171809337 510384213 /nfs/dbraw/zinc/38/42/13/510384213.db2.gz MHNRJQVSUFOTRZ-LBPRGKRZSA-N 0 3 359.430 2.740 20 5 FFBDHN CC1CCN(c2ccc(C(=O)N3CCN[C@H](C)[C@H]3C)cc2[N+](=O)[O-])CC1 ZINC000262745396 510393306 /nfs/dbraw/zinc/39/33/06/510393306.db2.gz JLCAYXJMTURZAP-HUUCEWRRSA-N 0 3 360.458 2.654 20 5 FFBDHN Nc1c(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)cccc1[N+](=O)[O-] ZINC000178182822 510475852 /nfs/dbraw/zinc/47/58/52/510475852.db2.gz LHCJRGXKSFHAGY-ZDUSSCGKSA-N 0 3 374.466 2.881 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)CC[C@H]1CCCCN1C ZINC000175138557 510500517 /nfs/dbraw/zinc/50/05/17/510500517.db2.gz IXIFYVGHZIQIKA-OAHLLOKOSA-N 0 3 369.487 2.707 20 5 FFBDHN COCCCN1CCC(NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000191343238 510615038 /nfs/dbraw/zinc/61/50/38/510615038.db2.gz FVTOVGFVKYDHPX-UHFFFAOYSA-N 0 3 364.446 2.834 20 5 FFBDHN Cc1c(NC(=O)[C@H](C)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cccc1[N+](=O)[O-] ZINC000270046931 510651748 /nfs/dbraw/zinc/65/17/48/510651748.db2.gz UBVRZXCSLRIJCX-IXKJSCDLSA-N 0 3 359.426 2.777 20 5 FFBDHN COc1ccc(OCCN2CCCC3(CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000266555468 510656369 /nfs/dbraw/zinc/65/63/69/510656369.db2.gz VSLHYMJEVKGRJU-UHFFFAOYSA-N 0 3 350.415 2.875 20 5 FFBDHN CCN(CC)[C@H](CNC(=O)c1nn(CC)cc1[N+](=O)[O-])c1ccccc1 ZINC000191466142 510674342 /nfs/dbraw/zinc/67/43/42/510674342.db2.gz DFXFTUDPNSJBKA-OAHLLOKOSA-N 0 3 359.430 2.624 20 5 FFBDHN CN1CC[C@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]1c1ccccc1 ZINC000270235556 510728513 /nfs/dbraw/zinc/72/85/13/510728513.db2.gz BEGHVEQKPREZPX-OALUTQOASA-N 0 3 369.421 2.996 20 5 FFBDHN COc1ccccc1C(C)(C)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182152425 510784184 /nfs/dbraw/zinc/78/41/84/510784184.db2.gz SWOUXDJFIQJOAH-CQSZACIVSA-N 0 3 360.410 2.868 20 5 FFBDHN CCN(Cc1ccc(OC)cc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182215016 510816712 /nfs/dbraw/zinc/81/67/12/510816712.db2.gz ZEGQJCDPXCJBQH-MRXNPFEDSA-N 0 3 360.410 2.865 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCCN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000286515336 511027438 /nfs/dbraw/zinc/02/74/38/511027438.db2.gz NACHZEYTDQXRCR-DOMZBBRYSA-N 0 3 362.348 2.856 20 5 FFBDHN O=C(CCN1CCC[C@@H](c2ccncn2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000361653695 511076233 /nfs/dbraw/zinc/07/62/33/511076233.db2.gz VCCCULUWYVSRNN-CQSZACIVSA-N 0 3 355.398 2.593 20 5 FFBDHN COc1cc(CN[C@H](C)CC(C)(C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000295011382 511253027 /nfs/dbraw/zinc/25/30/27/511253027.db2.gz JMEVWHQWSHDZJK-SNVBAGLBSA-N 0 3 362.373 2.886 20 5 FFBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](CCO)c1ccccc1 ZINC000283255740 511296481 /nfs/dbraw/zinc/29/64/81/511296481.db2.gz KHKBZKORZDRQBA-KRWDZBQOSA-N 0 3 357.410 2.979 20 5 FFBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](CCO)c1ccccc1 ZINC000283255750 511296989 /nfs/dbraw/zinc/29/69/89/511296989.db2.gz KHKBZKORZDRQBA-QGZVFWFLSA-N 0 3 357.410 2.979 20 5 FFBDHN CN1CC=C(CNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000271772382 511318306 /nfs/dbraw/zinc/31/83/06/511318306.db2.gz ALDWCVBRMCRLOH-UHFFFAOYSA-N 0 3 358.423 2.710 20 5 FFBDHN Cn1cc(CN2CC[C@H](O)CC(C)(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000295209745 511322497 /nfs/dbraw/zinc/32/24/97/511322497.db2.gz LKWDUESDBNRPDP-KRWDZBQOSA-N 0 3 358.442 2.978 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(CN(C)C)c2)c1 ZINC000283390320 511349514 /nfs/dbraw/zinc/34/95/14/511349514.db2.gz GMSDTGJJTDUEDZ-UHFFFAOYSA-N 0 3 357.410 2.985 20 5 FFBDHN CCCN1CCN(C2CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC2)CC1 ZINC000363262531 511450212 /nfs/dbraw/zinc/45/02/12/511450212.db2.gz DPHGDGIFIRDKIF-UHFFFAOYSA-N 0 3 362.474 2.600 20 5 FFBDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000363271884 511455123 /nfs/dbraw/zinc/45/51/23/511455123.db2.gz VRSWUOXASQTPPP-INIZCTEOSA-N 0 3 354.410 2.524 20 5 FFBDHN COC(=O)c1cc(C)nc(N2CC[C@H]3CC[C@@H](C2)N3C(C)C)c1[N+](=O)[O-] ZINC000283743328 511484579 /nfs/dbraw/zinc/48/45/79/511484579.db2.gz JNEKZVBJOHZLGH-KGLIPLIRSA-N 0 3 362.430 2.536 20 5 FFBDHN C[C@@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CCN(C2CCC2)C1 ZINC000292180739 511495597 /nfs/dbraw/zinc/49/55/97/511495597.db2.gz DXVYAXAAXPDTHA-HNNXBMFYSA-N 0 3 360.458 2.653 20 5 FFBDHN COCCOC1(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000295854130 511537086 /nfs/dbraw/zinc/53/70/86/511537086.db2.gz BDODIXOGYXSDKM-GOSISDBHSA-N 0 3 364.442 2.774 20 5 FFBDHN Cc1cc(OCC(=O)NCc2cccc(CN(C)C)c2)ccc1[N+](=O)[O-] ZINC000280679165 511560582 /nfs/dbraw/zinc/56/05/82/511560582.db2.gz YMNKVYVRPYTACE-UHFFFAOYSA-N 0 3 357.410 2.660 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000296013409 511588358 /nfs/dbraw/zinc/58/83/58/511588358.db2.gz NQMXLOORRQLIRP-OLMNPRSZSA-N 0 3 359.426 2.779 20 5 FFBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000296215976 511658790 /nfs/dbraw/zinc/65/87/90/511658790.db2.gz CXJXRUGELZTOEC-WBVHZDCISA-N 0 3 359.426 2.500 20 5 FFBDHN NC(=O)c1ccc(CN2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000280958086 511667468 /nfs/dbraw/zinc/66/74/68/511667468.db2.gz JKDRNTJSEKQQJC-JFIYKMOQSA-N 0 3 361.442 2.599 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(CCCO)Cc1ccccn1 ZINC000280985828 511677467 /nfs/dbraw/zinc/67/74/67/511677467.db2.gz LLFQPGSPFKQHMH-UHFFFAOYSA-N 0 3 372.425 2.511 20 5 FFBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@](CO)(Cc3ccccc3)C2)c1 ZINC000365841947 511682136 /nfs/dbraw/zinc/68/21/36/511682136.db2.gz PAZKGTREQWRUQX-SFTDATJTSA-N 0 3 370.449 2.945 20 5 FFBDHN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[C@@H](N2CCCC2)C1 ZINC000363697486 511709372 /nfs/dbraw/zinc/70/93/72/511709372.db2.gz YTXVGDBSZSXONP-QGZVFWFLSA-N 0 3 372.469 2.508 20 5 FFBDHN O=C(CN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000296435741 511742164 /nfs/dbraw/zinc/74/21/64/511742164.db2.gz WIZYIDBOEZJFPW-IUIKQTSFSA-N 0 3 365.817 2.734 20 5 FFBDHN CN1CCN(CC2(C)CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC000363763752 511752869 /nfs/dbraw/zinc/75/28/69/511752869.db2.gz GYOJKTOQPXARCA-UHFFFAOYSA-N 0 3 350.438 2.588 20 5 FFBDHN CCN1CCC(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CC1 ZINC000284596750 511787004 /nfs/dbraw/zinc/78/70/04/511787004.db2.gz TYNRQGWVECZKHW-UHFFFAOYSA-N 0 3 370.247 2.880 20 5 FFBDHN O=C(NCC1CCN(Cc2cccs2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000363871957 511820807 /nfs/dbraw/zinc/82/08/07/511820807.db2.gz JMBYAZIJEBQJCD-UHFFFAOYSA-N 0 3 360.439 2.693 20 5 FFBDHN CN1CC[C@H]2OCCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)[C@H]2C1 ZINC000284734918 511843506 /nfs/dbraw/zinc/84/35/06/511843506.db2.gz WBRPACSDOKFBNM-DLBZAZTESA-N 0 3 374.466 2.623 20 5 FFBDHN C[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000296751485 511882793 /nfs/dbraw/zinc/88/27/93/511882793.db2.gz PRHSETBBZDLXAI-LRDDRELGSA-N 0 3 361.354 2.594 20 5 FFBDHN CCOC(=O)C[C@](C)(NCc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)C ZINC000274742767 511926828 /nfs/dbraw/zinc/92/68/28/511926828.db2.gz KLSANAZMPGFYEF-SFHVURJKSA-N 0 3 366.414 2.919 20 5 FFBDHN O=C1Nc2ccccc2[C@@]12CCN(CCOc1ccccc1[N+](=O)[O-])C2 ZINC000364434814 512109030 /nfs/dbraw/zinc/10/90/30/512109030.db2.gz OXUPGPCHRCQNAY-IBGZPJMESA-N 0 3 353.378 2.569 20 5 FFBDHN Cc1c(C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)cccc1[N+](=O)[O-] ZINC000378162044 512619226 /nfs/dbraw/zinc/61/92/26/512619226.db2.gz SXBNTPUZEWGRGP-CQSZACIVSA-N 0 3 355.394 2.873 20 5 FFBDHN O=C1C[C@H]([C@H]2CCCCN2Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CN1 ZINC000372335066 512821050 /nfs/dbraw/zinc/82/10/50/512821050.db2.gz ZASXSHDYHKKIPJ-WMLDXEAASA-N 0 3 370.409 2.740 20 5 FFBDHN C[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000376636960 512912176 /nfs/dbraw/zinc/91/21/76/512912176.db2.gz NCJFKCGVOAYZBC-WMLDXEAASA-N 0 3 366.893 2.706 20 5 FFBDHN CC(C)(C)OC(=O)CC[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000412081963 512949774 /nfs/dbraw/zinc/94/97/74/512949774.db2.gz WZMHVSBCBBSTAI-AWEZNQCLSA-N 0 3 352.435 2.625 20 5 FFBDHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1(N)Cc2ccccc2C1 ZINC000376789419 512987687 /nfs/dbraw/zinc/98/76/87/512987687.db2.gz HSLHYYGNXKTQEP-UHFFFAOYSA-N 0 3 359.813 2.703 20 5 FFBDHN CCOc1cc(CN2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000372810108 513053405 /nfs/dbraw/zinc/05/34/05/513053405.db2.gz NIZGUZCUQBUEIL-AEFFLSMTSA-N 0 3 374.441 2.815 20 5 FFBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000412371747 513056720 /nfs/dbraw/zinc/05/67/20/513056720.db2.gz YQOCRIFTQOZLOO-HLQCWHFUSA-N 0 3 357.454 2.887 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCCNCc1cccnc1 ZINC000415290538 513191052 /nfs/dbraw/zinc/19/10/52/513191052.db2.gz DPQCILBQNCMEDD-UHFFFAOYSA-N 0 3 357.414 2.908 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)CN1CCCCC1 ZINC000439882938 513203657 /nfs/dbraw/zinc/20/36/57/513203657.db2.gz MFWVBPSPWYUJOL-CYBMUJFWSA-N 0 3 350.419 2.989 20 5 FFBDHN CO[C@@H](Cc1ccccc1)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450561471 513252007 /nfs/dbraw/zinc/25/20/07/513252007.db2.gz FWHODNXLEFAXHT-AEFFLSMTSA-N 0 3 356.426 2.734 20 5 FFBDHN O=C(NC[C@H]1CCCCN1C1CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000434444800 513324962 /nfs/dbraw/zinc/32/49/62/513324962.db2.gz FNWZILMWUMUXIT-QGZVFWFLSA-N 0 3 372.469 2.942 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000450866128 513374640 /nfs/dbraw/zinc/37/46/40/513374640.db2.gz SXCOYTBRKHTASU-BMGDILEWSA-N 0 3 359.426 2.779 20 5 FFBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415686465 513379454 /nfs/dbraw/zinc/37/94/54/513379454.db2.gz AJFBRCVUGSFEFM-DTWKUNHWSA-N 0 3 357.208 2.571 20 5 FFBDHN CN(C)C(=O)c1cccc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447525656 513496844 /nfs/dbraw/zinc/49/68/44/513496844.db2.gz APYAOYUBEWODKV-SJORKVTESA-N 0 3 371.441 2.767 20 5 FFBDHN C[C@H](NCCC(=O)NC(=O)NCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000451105255 513525324 /nfs/dbraw/zinc/52/53/24/513525324.db2.gz LXIAFKWRSBYZJX-AWEZNQCLSA-N 0 3 370.409 2.662 20 5 FFBDHN CN1C(=O)NCC12CCN(Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000425375816 513534441 /nfs/dbraw/zinc/53/44/41/513534441.db2.gz VJSHZMOHUCBTAX-UHFFFAOYSA-N 0 3 370.409 2.844 20 5 FFBDHN CCc1[nH]nc(C(=O)Nc2cccc3c2OCC[C@@H]3N(C)C)c1[N+](=O)[O-] ZINC000447724160 513552972 /nfs/dbraw/zinc/55/29/72/513552972.db2.gz UHPZGJAPSKUZSA-ZDUSSCGKSA-N 0 3 359.386 2.518 20 5 FFBDHN CCc1[n-]nc(C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)c1[N+](=O)[O-] ZINC000447724160 513552976 /nfs/dbraw/zinc/55/29/76/513552976.db2.gz UHPZGJAPSKUZSA-ZDUSSCGKSA-N 0 3 359.386 2.518 20 5 FFBDHN CC1(C)CCCN(CCNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000451221734 513604543 /nfs/dbraw/zinc/60/45/43/513604543.db2.gz ZZPFNIHDEKXIGY-UHFFFAOYSA-N 0 3 371.441 2.632 20 5 FFBDHN CC(C)Oc1cc(C(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000413620307 513738558 /nfs/dbraw/zinc/73/85/58/513738558.db2.gz AASQFCLTQGYJIX-CVEARBPZSA-N 0 3 361.442 2.938 20 5 FFBDHN Cc1cc(S(=O)(=O)NC2CCN(C(C)(C)C)CC2)c(C)cc1[N+](=O)[O-] ZINC000416377157 513741035 /nfs/dbraw/zinc/74/10/35/513741035.db2.gz ZGRPXBUJFVGSLX-UHFFFAOYSA-N 0 3 369.487 2.753 20 5 FFBDHN Cc1c(NC(=O)[C@H](C)N2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000451428943 513745887 /nfs/dbraw/zinc/74/58/87/513745887.db2.gz WVRSOEDPENAZCP-JFTQMJAMSA-N 0 3 361.442 2.856 20 5 FFBDHN C[C@@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1C ZINC000448697166 513850803 /nfs/dbraw/zinc/85/08/03/513850803.db2.gz LFKBBLCFFQQHBF-CABCVRRESA-N 0 3 361.442 2.937 20 5 FFBDHN COc1cc(OCCN(C)C)ccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000413957521 513901068 /nfs/dbraw/zinc/90/10/68/513901068.db2.gz NLCJEQZUMWUSQE-UHFFFAOYSA-N 0 3 359.382 2.796 20 5 FFBDHN C[C@@H](Cn1cc(Br)ccc1=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000414091984 513973443 /nfs/dbraw/zinc/97/34/43/513973443.db2.gz LLEWZFOPTRIEFE-NSHDSACASA-N 0 3 366.215 2.697 20 5 FFBDHN CN(C)CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C1CCCC1 ZINC000448976968 514002651 /nfs/dbraw/zinc/00/26/51/514002651.db2.gz WOINKKAKTXFEPL-UHFFFAOYSA-N 0 3 371.441 2.727 20 5 FFBDHN COc1cccc(C(=O)NC[C@H](Cc2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000443914241 514069353 /nfs/dbraw/zinc/06/93/53/514069353.db2.gz DYVYPSNIEFNMHY-HNNXBMFYSA-N 0 3 357.410 2.506 20 5 FFBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCNC(=O)c1cccc([O-])c1 ZINC000449110167 514074862 /nfs/dbraw/zinc/07/48/62/514074862.db2.gz BELMELBOQHWEFT-CQSZACIVSA-N 0 3 357.410 2.641 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2noc(CN3CCNC[C@@H]3c3ccccc3)n2)c1 ZINC000420409771 514136621 /nfs/dbraw/zinc/13/66/21/514136621.db2.gz QVCVBWWICVATOT-QGZVFWFLSA-N 0 3 365.393 2.791 20 5 FFBDHN CCn1nccc1N1CCC[C@@H](N[C@@H](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000449276146 514142424 /nfs/dbraw/zinc/14/24/24/514142424.db2.gz AZFAJCVREBAETL-GOEBONIOSA-N 0 3 371.441 2.527 20 5 FFBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC1(CS(C)(=O)=O)CCC1 ZINC000414559544 514180267 /nfs/dbraw/zinc/18/02/67/514180267.db2.gz UWYHPEUQYTUBFF-ZROIWOOFSA-N 0 3 352.456 2.803 20 5 FFBDHN COc1cc(CN[C@@H]2CCC[C@@H](CO)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414578599 514190248 /nfs/dbraw/zinc/19/02/48/514190248.db2.gz PPXQEUSDYVIMTL-DGCLKSJQSA-N 0 3 374.384 2.888 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@@H]3CCCCN3CCO)o2)c1 ZINC000449394724 514192958 /nfs/dbraw/zinc/19/29/58/514192958.db2.gz OOOPSWRHCKCCNU-KRWDZBQOSA-N 0 3 359.426 2.791 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420601936 514196578 /nfs/dbraw/zinc/19/65/78/514196578.db2.gz AKIBCHRISHFJPG-XJKSGUPXSA-N 0 3 354.410 2.626 20 5 FFBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H]2CCCN(CCCO)C2)o1 ZINC000449398519 514197834 /nfs/dbraw/zinc/19/78/34/514197834.db2.gz VHMZHCKLDVEBIJ-HNNXBMFYSA-N 0 3 359.426 2.791 20 5 FFBDHN COC[C@@]1(C(=O)OC)CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000449460600 514219923 /nfs/dbraw/zinc/21/99/23/514219923.db2.gz ZIJRIHNHUCEEON-LJQANCHMSA-N 0 3 374.393 2.866 20 5 FFBDHN COCCCN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C1CCN(C)CC1 ZINC000427645509 514276573 /nfs/dbraw/zinc/27/65/73/514276573.db2.gz DPRLRFRCHROGPL-UHFFFAOYSA-N 0 3 374.441 2.649 20 5 FFBDHN CC1(C)CCCN(CCNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000444631721 514278933 /nfs/dbraw/zinc/27/89/33/514278933.db2.gz WINXOAVTRWHKTF-UHFFFAOYSA-N 0 3 371.441 2.632 20 5 FFBDHN C[C@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCCC[C@@H]1C ZINC000444850052 514350878 /nfs/dbraw/zinc/35/08/78/514350878.db2.gz NXVSPXIIPWBEMQ-QWHCGFSZSA-N 0 3 374.445 2.533 20 5 FFBDHN CN1CCNC[C@H]1CNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414966834 514379828 /nfs/dbraw/zinc/37/98/28/514379828.db2.gz ANGWDKUAPJGLKT-INIZCTEOSA-N 0 3 374.416 2.519 20 5 FFBDHN COc1ccc(-c2ccc(CNC[C@H]3CCN(C)C(=O)C3)o2)c([N+](=O)[O-])c1 ZINC000424183245 514408475 /nfs/dbraw/zinc/40/84/75/514408475.db2.gz BANXBABKODQVET-ZDUSSCGKSA-N 0 3 373.409 2.821 20 5 FFBDHN CC[C@H](NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000453086502 514540552 /nfs/dbraw/zinc/54/05/52/514540552.db2.gz LVPLMBSKXZQXBX-HNNXBMFYSA-N 0 3 369.468 2.676 20 5 FFBDHN Cc1ccc(CN(C)C[C@@H]2C[C@H](F)CN2Cc2ncccn2)cc1[N+](=O)[O-] ZINC000475094538 514555274 /nfs/dbraw/zinc/55/52/74/514555274.db2.gz REFUBQQBRVTREW-IRXDYDNUSA-N 0 3 373.432 2.738 20 5 FFBDHN O=[N+]([O-])c1cccc2c1ccnc2N1CCC(CN2CCOCC2)CC1 ZINC000450255522 514566839 /nfs/dbraw/zinc/56/68/39/514566839.db2.gz ZJFIPLVGTRDQIN-UHFFFAOYSA-N 0 3 356.426 2.692 20 5 FFBDHN CN(C)CCOc1cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)ccn1 ZINC000497686659 514595591 /nfs/dbraw/zinc/59/55/91/514595591.db2.gz MULIARJWMZTAPN-UHFFFAOYSA-N 0 3 358.398 2.502 20 5 FFBDHN CN(C)CC1(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000466569045 514694239 /nfs/dbraw/zinc/69/42/39/514694239.db2.gz AGAKCGDUYBPYKM-UHFFFAOYSA-N 0 3 370.247 2.500 20 5 FFBDHN O=C(CCN1CCc2ccccc2C1)NCCNc1ccccc1[N+](=O)[O-] ZINC000471396557 514866351 /nfs/dbraw/zinc/86/63/51/514866351.db2.gz CCQSPQDXSMUCRY-UHFFFAOYSA-N 0 3 368.437 2.571 20 5 FFBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000471541106 514923538 /nfs/dbraw/zinc/92/35/38/514923538.db2.gz WGYHZSCFNVJYJW-AWEZNQCLSA-N 0 3 354.838 2.603 20 5 FFBDHN CN(CCNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])C1CCCC1 ZINC000480464449 514966578 /nfs/dbraw/zinc/96/65/78/514966578.db2.gz WBLZLUIIYIMZNA-UHFFFAOYSA-N 0 3 371.441 2.846 20 5 FFBDHN CC1CCN([C@H](CNC(=O)c2cc([N+](=O)[O-])nn2C)c2ccccc2)CC1 ZINC000476377125 515023718 /nfs/dbraw/zinc/02/37/18/515023718.db2.gz SWECQIHNJKVDSJ-QGZVFWFLSA-N 0 3 371.441 2.531 20 5 FFBDHN COCCN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCOC1 ZINC000490047439 515081143 /nfs/dbraw/zinc/08/11/43/515081143.db2.gz SWMOGSAKDCPIOR-MRXNPFEDSA-N 0 3 361.398 2.530 20 5 FFBDHN C[C@H](CN1CCN(c2ccccn2)CC1)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000467856118 515147044 /nfs/dbraw/zinc/14/70/44/515147044.db2.gz OIDJVVUBUVOKRO-SJORKVTESA-N 0 3 369.469 2.851 20 5 FFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000481057238 515190035 /nfs/dbraw/zinc/19/00/35/515190035.db2.gz KGXDYLUPCCJQCX-GJZGRUSLSA-N 0 3 369.487 2.705 20 5 FFBDHN C[C@@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@@H](C)C1 ZINC000485824621 515204569 /nfs/dbraw/zinc/20/45/69/515204569.db2.gz ZWSLRBVJPVKRQN-NEPJUHHUSA-N 0 3 355.385 2.652 20 5 FFBDHN C[C@H]1CCCN(CCNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000472371487 515247940 /nfs/dbraw/zinc/24/79/40/515247940.db2.gz ZQMSLZGREYVVQE-INIZCTEOSA-N 0 3 362.474 2.571 20 5 FFBDHN CC(C)O[C@@H]1C[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000462848965 515268952 /nfs/dbraw/zinc/26/89/52/515268952.db2.gz ZMIJIRSSKRPLCH-JKSUJKDBSA-N 0 3 370.471 2.550 20 5 FFBDHN COC(=O)c1cnc(NC[C@@H]2CCCCN2CC(C)C)c([N+](=O)[O-])c1 ZINC000477719870 515567012 /nfs/dbraw/zinc/56/70/12/515567012.db2.gz PCOSPXWEMAQTDB-AWEZNQCLSA-N 0 3 350.419 2.699 20 5 FFBDHN C[C@H](CO)N1CCCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000468969924 515607584 /nfs/dbraw/zinc/60/75/84/515607584.db2.gz LWDBXBLRAASLIB-OAHLLOKOSA-N 0 3 356.426 2.550 20 5 FFBDHN CN1CCC(O)(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000493246876 515614068 /nfs/dbraw/zinc/61/40/68/515614068.db2.gz JPZFOMHSHYKQOL-IBGZPJMESA-N 0 3 355.438 2.731 20 5 FFBDHN Cc1cc(C)c(S(=O)(=O)NC[C@@H](C)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000493443714 515633604 /nfs/dbraw/zinc/63/36/04/515633604.db2.gz UDZYPYMNERHWGY-CYBMUJFWSA-N 0 3 369.487 2.612 20 5 FFBDHN Cc1nn(Cc2ccc(C(=O)NC(C)(C)CN(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000457219355 515732205 /nfs/dbraw/zinc/73/22/05/515732205.db2.gz JXWWONYKFUQBJM-UHFFFAOYSA-N 0 3 373.457 2.526 20 5 FFBDHN C[C@@H]1[C@@H](NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCCN1C ZINC000454785924 515744004 /nfs/dbraw/zinc/74/40/04/515744004.db2.gz NDKQJPWBFVVXRU-HFTRVMKXSA-N 0 3 360.458 2.967 20 5 FFBDHN CC[C@H](NCCc1nnnn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000511035408 515753196 /nfs/dbraw/zinc/75/31/96/515753196.db2.gz DKHIJMCXLDJNHT-KRWDZBQOSA-N 0 3 352.398 2.854 20 5 FFBDHN C[C@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000487092474 515755591 /nfs/dbraw/zinc/75/55/91/515755591.db2.gz JJMOSGMDFPFHSB-MAUKXSAKSA-N 0 3 369.469 2.605 20 5 FFBDHN CN(CCC(=O)NC(=O)Nc1ccccc1)CCc1ccccc1[N+](=O)[O-] ZINC000511068353 515765246 /nfs/dbraw/zinc/76/52/46/515765246.db2.gz ZZWOLOZDGQUUHW-UHFFFAOYSA-N 0 3 370.409 2.808 20 5 FFBDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)N(C)C ZINC000464419898 515816583 /nfs/dbraw/zinc/81/65/83/515816583.db2.gz NZFRIWRZNMCVKA-WMLDXEAASA-N 0 3 373.457 2.642 20 5 FFBDHN CCOc1ccc(C(=O)N(CCN(C)C)Cc2ccccn2)cc1[N+](=O)[O-] ZINC000500757986 515846414 /nfs/dbraw/zinc/84/64/14/515846414.db2.gz KXLXENARCCEFKI-UHFFFAOYSA-N 0 3 372.425 2.593 20 5 FFBDHN CC[C@@H]1CCCCN1CCNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000500872056 515890585 /nfs/dbraw/zinc/89/05/85/515890585.db2.gz VPLNYCRGBXVGIF-OAHLLOKOSA-N 0 3 363.462 2.570 20 5 FFBDHN COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000464688817 515923701 /nfs/dbraw/zinc/92/37/01/515923701.db2.gz IRAHDGUHJDPECQ-YVEFUNNKSA-N 0 3 354.378 2.954 20 5 FFBDHN CC(C)C[C@@H](CN(C)C)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000511546939 515939139 /nfs/dbraw/zinc/93/91/39/515939139.db2.gz LMGKJYKONIOWNF-INIZCTEOSA-N 0 3 350.463 2.755 20 5 FFBDHN CN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000474217732 515939213 /nfs/dbraw/zinc/93/92/13/515939213.db2.gz YJPJYIPUBBDESF-QGZVFWFLSA-N 0 3 368.437 2.740 20 5 FFBDHN C[C@H](CN1CCN(c2ccccn2)CC1)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000483154187 515957088 /nfs/dbraw/zinc/95/70/88/515957088.db2.gz IEHJSNQYZLDJFN-IAGOWNOFSA-N 0 3 369.469 2.851 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000487838948 516001072 /nfs/dbraw/zinc/00/10/72/516001072.db2.gz OGNRVOFGNIAEHK-SMDDNHRTSA-N 0 3 354.838 2.573 20 5 FFBDHN COC(=O)[C@@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]1C ZINC000469997509 516067525 /nfs/dbraw/zinc/06/75/25/516067525.db2.gz ZYKKEKUDSOQWOE-IUODEOHRSA-N 0 3 359.382 2.676 20 5 FFBDHN CC(C)[C@H]1CCC[C@H]([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000474706881 516163780 /nfs/dbraw/zinc/16/37/80/516163780.db2.gz ILDRQNGZHDOSMS-GJZGRUSLSA-N 0 3 369.487 2.678 20 5 FFBDHN CCCN(CCN1CCCC1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000512420837 516271233 /nfs/dbraw/zinc/27/12/33/516271233.db2.gz NQMUPCKYSUWXBN-UHFFFAOYSA-N 0 3 368.865 2.995 20 5 FFBDHN C[C@@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000465875058 516278190 /nfs/dbraw/zinc/27/81/90/516278190.db2.gz LNACPVNSTJXJRF-INIZCTEOSA-N 0 3 370.453 2.957 20 5 FFBDHN Cc1cc(OCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000561015897 516338534 /nfs/dbraw/zinc/33/85/34/516338534.db2.gz OTVSPINKXJYZFI-QGZVFWFLSA-N 0 3 369.421 2.673 20 5 FFBDHN CN(C)CCOc1cccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000517565610 516367264 /nfs/dbraw/zinc/36/72/64/516367264.db2.gz HBIDSQVPCIRSRL-UHFFFAOYSA-N 0 3 361.373 2.604 20 5 FFBDHN COC(=O)c1cc(C)nc(N[C@H](C)CN2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000561157828 516414903 /nfs/dbraw/zinc/41/49/03/516414903.db2.gz XGLZCCUOJWLWBM-WCQYABFASA-N 0 3 350.419 2.617 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCC(C)(C)N2CCC[C@@H](C)C2)n1 ZINC000561182965 516433953 /nfs/dbraw/zinc/43/39/53/516433953.db2.gz CVFCURIVAZTMHK-GFCCVEGCSA-N 0 3 350.419 2.699 20 5 FFBDHN CN(C)C(=O)C[C@H](NCCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000517767110 516445495 /nfs/dbraw/zinc/44/54/95/516445495.db2.gz OBRHYBXFZULBHR-INIZCTEOSA-N 0 3 357.410 2.783 20 5 FFBDHN CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000513111073 516479711 /nfs/dbraw/zinc/47/97/11/516479711.db2.gz XUMNIMDMIBOOJZ-MRXNPFEDSA-N 0 3 356.426 2.953 20 5 FFBDHN CN(C)C[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000554523110 516483862 /nfs/dbraw/zinc/48/38/62/516483862.db2.gz MHZSVOBWKTUYBY-KRWDZBQOSA-N 0 3 360.389 2.836 20 5 FFBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000557877163 516484346 /nfs/dbraw/zinc/48/43/46/516484346.db2.gz AKYCUOJHBRQFFU-HOTGVXAUSA-N 0 3 362.474 2.899 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCc2c[nH]c3ccccc23)cc1 ZINC000554719962 516604449 /nfs/dbraw/zinc/60/44/49/516604449.db2.gz DOQOAALXEZLSCR-UHFFFAOYSA-N 0 3 373.434 2.682 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCOC2(CCOCC2)C1 ZINC000561542101 516641058 /nfs/dbraw/zinc/64/10/58/516641058.db2.gz CSWZHXFGUBOTTJ-OAHLLOKOSA-N 0 3 350.415 2.811 20 5 FFBDHN CC(C)N1CCN([C@@H]2CCN(Cc3c(Cl)cccc3[N+](=O)[O-])C2)CC1 ZINC000547968080 516664360 /nfs/dbraw/zinc/66/43/60/516664360.db2.gz BZUUDBIOGIWUCK-OAHLLOKOSA-N 0 3 366.893 2.849 20 5 FFBDHN CC(C)N1CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000524199366 516667135 /nfs/dbraw/zinc/66/71/35/516667135.db2.gz XQXWMFZWVOGCIS-UHFFFAOYSA-N 0 3 369.849 2.960 20 5 FFBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000536187754 516667377 /nfs/dbraw/zinc/66/73/77/516667377.db2.gz ARHWUOADEFVLFL-OKILXGFUSA-N 0 3 358.442 2.998 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](CC(C)C)C(=O)NCCN(C)C ZINC000540747236 516694742 /nfs/dbraw/zinc/69/47/42/516694742.db2.gz NCLFURBGNLQEHR-QAPCUYQASA-N 0 3 364.490 2.646 20 5 FFBDHN Cc1nc2ccccn2c(=O)c1CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000554940586 516709996 /nfs/dbraw/zinc/70/99/96/516709996.db2.gz QYDALVFRKMSMPY-ZDUSSCGKSA-N 0 3 352.394 2.804 20 5 FFBDHN CCC[NH+](CCC)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000524410246 516714172 /nfs/dbraw/zinc/71/41/72/516714172.db2.gz XOGLXVFVMRTIAN-UHFFFAOYSA-N 0 3 361.439 2.524 20 5 FFBDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000551533858 516749853 /nfs/dbraw/zinc/74/98/53/516749853.db2.gz IUPYMLSRMYZAKS-QGZVFWFLSA-N 0 3 357.410 2.945 20 5 FFBDHN CSC1(CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CCN(C)CC1 ZINC000558555957 516805874 /nfs/dbraw/zinc/80/58/74/516805874.db2.gz WGVFZDLULPGOLR-CYBMUJFWSA-N 0 3 351.472 2.642 20 5 FFBDHN CC(C)N(C)C[C@H](C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000558584173 516820588 /nfs/dbraw/zinc/82/05/88/516820588.db2.gz XTPINXZOGLAXEJ-INIZCTEOSA-N 0 3 365.477 3.000 20 5 FFBDHN C[C@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000541025122 516837434 /nfs/dbraw/zinc/83/74/34/516837434.db2.gz DJNSFGOSPYZQID-JTQLQIEISA-N 0 3 355.341 2.576 20 5 FFBDHN CCOc1cc(CN2CCC(N3CCOC[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000518995792 516850007 /nfs/dbraw/zinc/85/00/07/516850007.db2.gz IYGUWBZKTBYZSC-HNNXBMFYSA-N 0 3 363.458 2.679 20 5 FFBDHN COc1ccc(NC(=O)NC[C@@H](C)N2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000541106691 516878627 /nfs/dbraw/zinc/87/86/27/516878627.db2.gz UPAHZQKNWVBKJU-QWHCGFSZSA-N 0 3 350.419 2.845 20 5 FFBDHN Cn1c(C(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000525040930 516900205 /nfs/dbraw/zinc/90/02/05/516900205.db2.gz VIQGSLLLMHTHOU-WBMJQRKESA-N 0 3 362.455 2.808 20 5 FFBDHN Cc1sc(C(=O)NCC2(N(C)C)Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000525094196 516914265 /nfs/dbraw/zinc/91/42/65/516914265.db2.gz WBFNKFLUCRSADG-UHFFFAOYSA-N 0 3 359.451 2.794 20 5 FFBDHN C[C@H](N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000555417389 516920299 /nfs/dbraw/zinc/92/02/99/516920299.db2.gz NIAQMCOXJXYKJG-WBQNTZJQSA-N 0 3 359.426 2.859 20 5 FFBDHN CC(C)[C@H]1CCCC[C@H]1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536858082 516956930 /nfs/dbraw/zinc/95/69/30/516956930.db2.gz OHQFBAURSZPADK-HUUCEWRRSA-N 0 3 369.487 2.678 20 5 FFBDHN COc1cccc(C[C@@H]2CCCN2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000532484371 516998744 /nfs/dbraw/zinc/99/87/44/516998744.db2.gz SBZJHYPKCMVXKL-KRWDZBQOSA-N 0 3 369.421 2.909 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC2(N(C)C)CCCCC2)c1C ZINC000514688883 517005558 /nfs/dbraw/zinc/00/55/58/517005558.db2.gz YISZBYZBUWBLBV-UHFFFAOYSA-N 0 3 369.487 2.754 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CCN(CC)[C@@H](C)C1 ZINC000525385636 517023806 /nfs/dbraw/zinc/02/38/06/517023806.db2.gz FCQCQYPGIBKAQG-DZGCQCFKSA-N 0 3 369.487 2.651 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[C@@H](C)N2CCCCC2)cc1C ZINC000541388918 517024492 /nfs/dbraw/zinc/02/44/92/517024492.db2.gz DBTPMMSCZLBICH-OAHLLOKOSA-N 0 3 369.487 2.754 20 5 FFBDHN CC(C)CN(CCN(C)C)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000532733665 517118256 /nfs/dbraw/zinc/11/82/56/517118256.db2.gz HIWHRTHMEQACRO-UHFFFAOYSA-N 0 3 374.441 2.568 20 5 FFBDHN COC(=O)[C@H]1CCCC[C@]1(C)NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000537273443 517118505 /nfs/dbraw/zinc/11/85/05/517118505.db2.gz JMOHNZSZJFOMPU-ACJLOTCBSA-N 0 3 363.414 2.553 20 5 FFBDHN COc1cc(CN2CCC[C@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])cc1OC ZINC000552190219 517131041 /nfs/dbraw/zinc/13/10/41/517131041.db2.gz CWKCLRQDWNYIFS-UONOGXRCSA-N 0 3 350.415 2.861 20 5 FFBDHN CNc1ccc(C(=O)N(CCN(C)C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000520105469 517274773 /nfs/dbraw/zinc/27/47/73/517274773.db2.gz PUEVKIKYLMQEGH-UHFFFAOYSA-N 0 3 374.416 2.980 20 5 FFBDHN COc1ccc(NC(=O)N[C@@H](Cc2ccccc2)CN(C)C)cc1[N+](=O)[O-] ZINC000542036033 517350539 /nfs/dbraw/zinc/35/05/39/517350539.db2.gz FEYLQFSTUGUCOO-INIZCTEOSA-N 0 3 372.425 2.898 20 5 FFBDHN CN1CCC[C@@H](CNC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000556565019 517495138 /nfs/dbraw/zinc/49/51/38/517495138.db2.gz XSSYAYKWDJHIJV-DOTOQJQBSA-N 0 3 360.458 2.826 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[C@@H](C)N2CCCCC2)c1C ZINC000542317907 517500612 /nfs/dbraw/zinc/50/06/12/517500612.db2.gz PHPQPGYNLUXKPF-CQSZACIVSA-N 0 3 369.487 2.754 20 5 FFBDHN CN(c1cccc(C(N)=O)c1[N+](=O)[O-])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000553155110 517548422 /nfs/dbraw/zinc/54/84/22/517548422.db2.gz YGJGBOQPTQKWQA-MRXNPFEDSA-N 0 3 368.437 2.795 20 5 FFBDHN CN(c1ccccc1)c1ccc(CNC[C@@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000533637361 517555406 /nfs/dbraw/zinc/55/54/06/517555406.db2.gz LUHSVQVFYFGWRX-IBGZPJMESA-N 0 3 357.410 2.604 20 5 FFBDHN COc1ccc(CNC(=O)NC[C@@H](C)N2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000516158268 517591814 /nfs/dbraw/zinc/59/18/14/517591814.db2.gz SEKFVQXAAWWZHE-UONOGXRCSA-N 0 3 364.446 2.666 20 5 FFBDHN CN(C)c1nccc(CN[C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000538409843 517608936 /nfs/dbraw/zinc/60/89/36/517608936.db2.gz YWTVFSXTNICNCT-YOEHRIQHSA-N 0 3 355.442 2.952 20 5 FFBDHN CN(C)CCc1ccccc1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000527341627 517649290 /nfs/dbraw/zinc/64/92/90/517649290.db2.gz SDYWRMLJYGTJLI-UHFFFAOYSA-N 0 3 371.393 2.722 20 5 FFBDHN CCc1n[nH]c(C(=O)N(CCCc2ccccc2)CCN(C)C)c1[N+](=O)[O-] ZINC000521234649 517662553 /nfs/dbraw/zinc/66/25/53/517662553.db2.gz DRSFWSRIFMAVCO-UHFFFAOYSA-N 0 3 373.457 2.517 20 5 FFBDHN CCc1[nH]nc(C(=O)N(CCCc2ccccc2)CCN(C)C)c1[N+](=O)[O-] ZINC000521234649 517662559 /nfs/dbraw/zinc/66/25/59/517662559.db2.gz DRSFWSRIFMAVCO-UHFFFAOYSA-N 0 3 373.457 2.517 20 5 FFBDHN CNC(=O)[C@@H](CNCc1cccc([N+](=O)[O-])c1)Cc1ccc(F)cc1C ZINC000563121586 517673086 /nfs/dbraw/zinc/67/30/86/517673086.db2.gz QFOABPAOXWRJJY-MRXNPFEDSA-N 0 3 359.401 2.737 20 5 FFBDHN CCCN(CCN1CCCC1)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000553398503 517689068 /nfs/dbraw/zinc/68/90/68/517689068.db2.gz FHJBFDFTLMNXKX-UHFFFAOYSA-N 0 3 371.441 2.729 20 5 FFBDHN CC[C@@H](C)N[C@H](CNc1nc(C(=O)OC)ccc1[N+](=O)[O-])c1ccco1 ZINC000553601484 517803330 /nfs/dbraw/zinc/80/33/30/517803330.db2.gz MZUAVZYHZSLOIM-DGCLKSJQSA-N 0 3 362.386 2.911 20 5 FFBDHN COC(=O)COc1ccc(CN2CCc3ccccc3CC2)cc1[N+](=O)[O-] ZINC000530500005 517812588 /nfs/dbraw/zinc/81/25/88/517812588.db2.gz FZJNKAQKZVJAPH-UHFFFAOYSA-N 0 3 370.405 2.747 20 5 FFBDHN COc1cc(C[C@@H](CO)CNCc2ccc(C)c([N+](=O)[O-])c2)cc(OC)c1 ZINC000530631079 517889051 /nfs/dbraw/zinc/88/90/51/517889051.db2.gz QJHLCYBNZROQME-QGZVFWFLSA-N 0 3 374.437 2.861 20 5 FFBDHN CC[C@H](N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000539045568 517895371 /nfs/dbraw/zinc/89/53/71/517895371.db2.gz BDLWUDIWHXTGTA-WFBYXXMGSA-N 0 3 363.336 2.603 20 5 FFBDHN O=C(Nc1cccc2c1CCNC2)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000563499377 517938069 /nfs/dbraw/zinc/93/80/69/517938069.db2.gz YRFDTAOHJTWMJB-UHFFFAOYSA-N 0 3 352.394 2.831 20 5 FFBDHN NC(=O)[C@@H](Cc1ccc(F)cc1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000543163770 517941496 /nfs/dbraw/zinc/94/14/96/517941496.db2.gz PCFOGBKIKIAZCL-GOSISDBHSA-N 0 3 359.401 2.743 20 5 FFBDHN O=C(NCc1ccc(OCCN2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000522044279 517961997 /nfs/dbraw/zinc/96/19/97/517961997.db2.gz IWGSTWLHMGXIAJ-UHFFFAOYSA-N 0 3 369.421 2.999 20 5 FFBDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000534925965 518085845 /nfs/dbraw/zinc/08/58/45/518085845.db2.gz OAFJPNWKQGDVOB-UHFFFAOYSA-N 0 3 361.373 2.644 20 5 FFBDHN C[C@@H]1CN(C[C@H]2CCCN2CCOc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000557603229 518101757 /nfs/dbraw/zinc/10/17/57/518101757.db2.gz JXEBVYCAEYMYPY-JFIYKMOQSA-N 0 3 363.458 2.547 20 5 FFBDHN O=c1[nH]c2ccccc2n1CCCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000572550805 518243802 /nfs/dbraw/zinc/24/38/02/518243802.db2.gz JBKNTTQFEYZXIO-UHFFFAOYSA-N 0 3 370.413 2.574 20 5 FFBDHN C[C@@H]1CCCC[C@@H]1OCCNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000572558154 518246659 /nfs/dbraw/zinc/24/66/59/518246659.db2.gz UEMSMAFADJRGEH-VYDXJSESSA-N 0 3 352.431 2.519 20 5 FFBDHN CCO[C@@H]1C[C@@H](NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C12CCCC2 ZINC000581396716 518263985 /nfs/dbraw/zinc/26/39/85/518263985.db2.gz QRMADWKUKNEAJT-QZTJIDSGSA-N 0 3 373.453 2.811 20 5 FFBDHN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCCN(CC2CCC2)CC1 ZINC000567066022 518335905 /nfs/dbraw/zinc/33/59/05/518335905.db2.gz XEANFRJSBTYVGG-UHFFFAOYSA-N 0 3 360.458 2.731 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(CC(=O)Nc2ccccc2CN(C)C)c1F ZINC000572844186 518388144 /nfs/dbraw/zinc/38/81/44/518388144.db2.gz JJCURDVTJXEWRR-UHFFFAOYSA-N 0 3 361.373 2.985 20 5 FFBDHN O=C(CCOC1CNC1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000581720904 518425251 /nfs/dbraw/zinc/42/52/51/518425251.db2.gz NODFOLMWJYKABB-UHFFFAOYSA-N 0 3 357.366 2.704 20 5 FFBDHN CO[C@H](C)[C@@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000567318649 518460756 /nfs/dbraw/zinc/46/07/56/518460756.db2.gz SHSZARIFKBHESJ-KXUCPTDWSA-N 0 3 363.336 2.954 20 5 FFBDHN C[C@H](C(=O)N[C@@H]1CN(C)C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000573158585 518531753 /nfs/dbraw/zinc/53/17/53/518531753.db2.gz DTYWGWKNYPLSDT-ZOCIIQOWSA-N 0 3 353.422 2.912 20 5 FFBDHN Cc1cc2ncn(C[C@H](O)CNCc3cccc([N+](=O)[O-])c3)c2cc1C ZINC000582020523 518549269 /nfs/dbraw/zinc/54/92/69/518549269.db2.gz QBEFMBDFSMJMGV-QGZVFWFLSA-N 0 3 354.410 2.712 20 5 FFBDHN CN1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)[C@H]2C1 ZINC000585783608 518596087 /nfs/dbraw/zinc/59/60/87/518596087.db2.gz KQEBSEGZCLRTHT-DLBZAZTESA-N 0 3 372.400 2.705 20 5 FFBDHN CS[C@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000579465743 518695678 /nfs/dbraw/zinc/69/56/78/518695678.db2.gz GMYDMSDQHDIOMU-CQSZACIVSA-N 0 3 360.501 2.736 20 5 FFBDHN CN(c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C1CC1)[C@@H]1CCN(C2CC2)C1 ZINC000565128459 518801528 /nfs/dbraw/zinc/80/15/28/518801528.db2.gz VWGJFAIJHFGMSY-QGZVFWFLSA-N 0 3 368.441 2.861 20 5 FFBDHN C[C@@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N1[C@H](C)CC[C@H]1C ZINC000576915291 518823161 /nfs/dbraw/zinc/82/31/61/518823161.db2.gz LWRNHPQRALITKB-MCIONIFRSA-N 0 3 358.442 2.996 20 5 FFBDHN O=C(NCCN[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1c(F)cccc1F ZINC000576957730 518847584 /nfs/dbraw/zinc/84/75/84/518847584.db2.gz RKTIDNYIJMFTEX-OAHLLOKOSA-N 0 3 361.348 2.880 20 5 FFBDHN O=C(NCCN[C@H]1CCc2c1cccc2[N+](=O)[O-])c1c(F)cccc1F ZINC000576957729 518847673 /nfs/dbraw/zinc/84/76/73/518847673.db2.gz RKTIDNYIJMFTEX-HNNXBMFYSA-N 0 3 361.348 2.880 20 5 FFBDHN C[C@H](C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1)c1cccc([N+](=O)[O-])c1 ZINC000577338973 519028626 /nfs/dbraw/zinc/02/86/26/519028626.db2.gz FKVNDYPICYXYEN-LIRRHRJNSA-N 0 3 369.421 2.904 20 5 FFBDHN CN(C)C[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000566030161 519253461 /nfs/dbraw/zinc/25/34/61/519253461.db2.gz INBZNJQMLIWWCP-QGZVFWFLSA-N 0 3 374.416 2.955 20 5 FFBDHN CC(C)c1ccc(C(=O)N2CCOC[C@H]2[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000590566391 519268968 /nfs/dbraw/zinc/26/89/68/519268968.db2.gz ZRKUXBIHXYTAME-WMZOPIPTSA-N 0 3 361.442 2.653 20 5 FFBDHN COC(=O)c1ccnc(NC[C@H](c2ccc(F)cc2)N(C)C)c1[N+](=O)[O-] ZINC000590574598 519272157 /nfs/dbraw/zinc/27/21/57/519272157.db2.gz LRQNGSXGCILMQO-CQSZACIVSA-N 0 3 362.361 2.630 20 5 FFBDHN CC(C)(C)N1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000590626636 519294227 /nfs/dbraw/zinc/29/42/27/519294227.db2.gz LVAPWAJSQYEJMQ-UHFFFAOYSA-N 0 3 371.441 2.727 20 5 FFBDHN Cc1ccc(C[C@H](CO)NCc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1C ZINC000590781503 519365584 /nfs/dbraw/zinc/36/55/84/519365584.db2.gz DGVIWWDDPDMAIB-QGZVFWFLSA-N 0 3 372.421 2.676 20 5 FFBDHN CS[C@H]1CCC[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000571993730 519385497 /nfs/dbraw/zinc/38/54/97/519385497.db2.gz HKONDNMBBYFMHA-OCCSQVGLSA-N 0 3 358.485 2.632 20 5 FFBDHN CCN(C[C@@H]1CCCN1CC)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000569374933 519518792 /nfs/dbraw/zinc/51/87/92/519518792.db2.gz YXGKZZYTEVOMOA-INIZCTEOSA-N 0 3 358.442 2.951 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](O)[C@@H]1CCc1ccccc1 ZINC000602851526 519923908 /nfs/dbraw/zinc/92/39/08/519923908.db2.gz LOIRZUISEHHLNW-ZWKOTPCHSA-N 0 3 358.442 2.558 20 5 FFBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000594417592 519954102 /nfs/dbraw/zinc/95/41/02/519954102.db2.gz CCRYPJQOOHITKG-YJBOKZPZSA-N 0 3 369.425 2.732 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000594420538 519956625 /nfs/dbraw/zinc/95/66/25/519956625.db2.gz WGCQUQRGERUJIA-HZPDHXFCSA-N 0 3 361.442 2.805 20 5 FFBDHN CN1CCC2(CCN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000597662846 520163912 /nfs/dbraw/zinc/16/39/12/520163912.db2.gz ANNFKYPYFBADBB-UHFFFAOYSA-N 0 3 359.426 2.502 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCN1CCCC[C@@H]1C ZINC000609196594 520228711 /nfs/dbraw/zinc/22/87/11/520228711.db2.gz ZRWIMUSZIXRFDF-AWEZNQCLSA-N 0 3 369.487 2.700 20 5 FFBDHN COc1ccc(OCCN2CC3(C[C@@H]2C)CCOCC3)c([N+](=O)[O-])c1 ZINC000592181531 520250723 /nfs/dbraw/zinc/25/07/23/520250723.db2.gz HHSHWOMVIVNISV-AWEZNQCLSA-N 0 3 350.415 2.873 20 5 FFBDHN C[C@@H](c1ccccc1)[C@H](O)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000595001975 520251544 /nfs/dbraw/zinc/25/15/44/520251544.db2.gz YTHFWWWBNYJZRM-SUMWQHHRSA-N 0 3 358.394 2.620 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H]1CN(CC(C)C)CCO1 ZINC000595003781 520252724 /nfs/dbraw/zinc/25/27/24/520252724.db2.gz JZUDNWCXPKGJLX-ZBFHGGJFSA-N 0 3 351.447 2.611 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000595022705 520260772 /nfs/dbraw/zinc/26/07/72/520260772.db2.gz VBBOCMZCAMFIKB-WBAXXEDZSA-N 0 3 363.458 2.897 20 5 FFBDHN CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H]1CCN(C2CC2)C1 ZINC000609509327 520336089 /nfs/dbraw/zinc/33/60/89/520336089.db2.gz PYUPCEUULQVJHJ-MRXNPFEDSA-N 0 3 358.442 2.504 20 5 FFBDHN C[C@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H](C)C1 ZINC000603895041 520393924 /nfs/dbraw/zinc/39/39/24/520393924.db2.gz JAHANGZZVCXIMP-LSDHHAIUSA-N 0 3 371.441 2.631 20 5 FFBDHN COc1cccc([C@H](CNCCC(=O)Nc2ccccc2[N+](=O)[O-])OC)c1 ZINC000600747472 520444285 /nfs/dbraw/zinc/44/42/85/520444285.db2.gz XONIATSQXMWPRY-SFHVURJKSA-N 0 3 373.409 2.909 20 5 FFBDHN CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[n-]1)[N@@H+]1CCc2ccccc2C1 ZINC000604096879 520450760 /nfs/dbraw/zinc/45/07/60/520450760.db2.gz DMPMKDYHDXHKNA-QGZVFWFLSA-N 0 3 356.426 2.736 20 5 FFBDHN CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[n-]1)[N@H+]1CCc2ccccc2C1 ZINC000604096879 520450764 /nfs/dbraw/zinc/45/07/64/520450764.db2.gz DMPMKDYHDXHKNA-QGZVFWFLSA-N 0 3 356.426 2.736 20 5 FFBDHN CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)N1CCc2ccccc2C1 ZINC000604096879 520450770 /nfs/dbraw/zinc/45/07/70/520450770.db2.gz DMPMKDYHDXHKNA-QGZVFWFLSA-N 0 3 356.426 2.736 20 5 FFBDHN CC(C)[C@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCN1 ZINC000592543793 520451662 /nfs/dbraw/zinc/45/16/62/520451662.db2.gz KTZMPJMYICBJAQ-GFCCVEGCSA-N 0 3 357.863 2.797 20 5 FFBDHN O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000604193578 520478478 /nfs/dbraw/zinc/47/84/78/520478478.db2.gz ZPLRVPYLAGKREG-UHFFFAOYSA-N 0 3 370.409 2.976 20 5 FFBDHN COc1cccc(C(=O)NC[C@@H]2CN(C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000592882022 520633205 /nfs/dbraw/zinc/63/32/05/520633205.db2.gz QGUMCFYOXYKHEV-WBVHZDCISA-N 0 3 369.421 2.679 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CN(C)C[C@H]2c2ccccc2)c1 ZINC000592883121 520633574 /nfs/dbraw/zinc/63/35/74/520633574.db2.gz XEFRWVUZWKKDHR-AEFFLSMTSA-N 0 3 353.422 2.978 20 5 FFBDHN C[C@@H]1CN(c2ccnc3ccc([N+](=O)[O-])cc32)CC[C@H]1N1CCN(C)CC1 ZINC000601136834 520654427 /nfs/dbraw/zinc/65/44/27/520654427.db2.gz YRCDLALLEADRDE-DNVCBOLYSA-N 0 3 369.469 2.605 20 5 FFBDHN C[C@@H](NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000610422076 520675432 /nfs/dbraw/zinc/67/54/32/520675432.db2.gz UQBGJHKCKVKUQR-UZLBHIALSA-N 0 3 355.438 2.882 20 5 FFBDHN Cc1ccc(C(=O)N2CC[C@@H](OCCN3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000610733160 520820047 /nfs/dbraw/zinc/82/00/47/520820047.db2.gz WUMVHNAXBQNVPO-QGZVFWFLSA-N 0 3 361.442 2.620 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC3(CCCC3)OC[C@H]2CN(C)C)c1 ZINC000598892799 520906870 /nfs/dbraw/zinc/90/68/70/520906870.db2.gz KUMOGWPBBCLHAJ-OAHLLOKOSA-N 0 3 361.442 2.619 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCOC4(CNC4)C3)o2)c(Cl)c1 ZINC000596103165 520914430 /nfs/dbraw/zinc/91/44/30/520914430.db2.gz BMELPTBRSQIYMR-UHFFFAOYSA-N 0 3 363.801 2.682 20 5 FFBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@@H](C)CN1Cc1ccccc1 ZINC000596176212 520953723 /nfs/dbraw/zinc/95/37/23/520953723.db2.gz BBYSXHJNSPSKBM-GJZGRUSLSA-N 0 3 368.437 2.793 20 5 FFBDHN CN(c1ccccc1)c1ccc(CNC[C@H](O)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000598986437 520960691 /nfs/dbraw/zinc/96/06/91/520960691.db2.gz ABWCXUJRIJWUFC-VQTJNVASSA-N 0 3 371.437 2.992 20 5 FFBDHN CN(c1ccccc1)c1ccc(CNC[C@H]2COCCN2C)cc1[N+](=O)[O-] ZINC000599002839 520972801 /nfs/dbraw/zinc/97/28/01/520972801.db2.gz CFFAZSSVBDKDBS-SFHVURJKSA-N 0 3 370.453 2.783 20 5 FFBDHN CC(C)(C)CCN1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593414269 520978553 /nfs/dbraw/zinc/97/85/53/520978553.db2.gz ALKYUXRMSBZICH-UHFFFAOYSA-N 0 3 351.422 2.857 20 5 FFBDHN O=C(CNc1ccnc2cc([N+](=O)[O-])ccc21)NCCN1CCCCCC1 ZINC000593471846 521016307 /nfs/dbraw/zinc/01/63/07/521016307.db2.gz BSLKWINXQQBRMY-UHFFFAOYSA-N 0 3 371.441 2.547 20 5 FFBDHN Cc1cc(N2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)ncc1[N+](=O)[O-] ZINC000593496675 521033880 /nfs/dbraw/zinc/03/38/80/521033880.db2.gz VRLFQICXLHGHHM-OALUTQOASA-N 0 3 368.437 2.778 20 5 FFBDHN CC(C)(C)Oc1cc(N2CCN([C@@H]3CCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000611203187 521034903 /nfs/dbraw/zinc/03/49/03/521034903.db2.gz ORXLOHGVHZEFHW-NVXWUHKLSA-N 0 3 363.458 2.808 20 5 FFBDHN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)C(C[C@H]1CCCO1)C(F)(F)F ZINC000593560661 521077718 /nfs/dbraw/zinc/07/77/18/521077718.db2.gz WBNFYRAERDSOML-KOLCDFICSA-N 0 3 372.303 2.579 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCCN(C[C@H]3CCCO3)CC2)c2ncccc12 ZINC000611296543 521085786 /nfs/dbraw/zinc/08/57/86/521085786.db2.gz UJHGSGIJEATIRY-OAHLLOKOSA-N 0 3 356.426 2.834 20 5 FFBDHN COC[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1cccc(C(F)(F)F)c1 ZINC000611397023 521136365 /nfs/dbraw/zinc/13/63/65/521136365.db2.gz VISPZFLLIOWPMH-CYBMUJFWSA-N 0 3 358.320 2.787 20 5 FFBDHN CN(C)C[C@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000593708356 521168214 /nfs/dbraw/zinc/16/82/14/521168214.db2.gz NPQWRNWXQRQLQG-INIZCTEOSA-N 0 3 363.364 2.835 20 5 FFBDHN CC1(C)CCC[C@](O)(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000614992370 521223730 /nfs/dbraw/zinc/22/37/30/521223730.db2.gz FEYIFDXWZNJMLT-GOSISDBHSA-N 0 3 350.415 2.787 20 5 FFBDHN CCOc1cc(CN2CC3(CCOCC3)CC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000599543149 521285883 /nfs/dbraw/zinc/28/58/83/521285883.db2.gz MOLFBRMFLFDWPN-MRXNPFEDSA-N 0 3 364.442 2.747 20 5 FFBDHN CN(CCNc1ncnc2ccc([N+](=O)[O-])cc21)Cc1ccc(F)cc1 ZINC000611705805 521289194 /nfs/dbraw/zinc/28/91/94/521289194.db2.gz BPRCSHPDUROQAT-UHFFFAOYSA-N 0 3 355.373 2.643 20 5 FFBDHN CC1(C)CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1CCO ZINC000615140578 521289361 /nfs/dbraw/zinc/28/93/61/521289361.db2.gz ZUGZMUANLOCHKE-UHFFFAOYSA-N 0 3 359.426 2.743 20 5 FFBDHN O=[N+]([O-])c1ccc2ncnc(NCC3CCN(c4ccncc4)CC3)c2c1 ZINC000611713509 521293640 /nfs/dbraw/zinc/29/36/40/521293640.db2.gz CXEOMKIOKVKOME-UHFFFAOYSA-N 0 3 364.409 2.683 20 5 FFBDHN O=[N+]([O-])c1ccc(CN2CCCN(C[C@@H]3CCCO3)CC2)c(Cl)c1 ZINC000611773136 521322936 /nfs/dbraw/zinc/32/29/36/521322936.db2.gz AYPPADNGKAYICO-INIZCTEOSA-N 0 3 353.850 2.935 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](CC(=O)OC(C)C)C(C)C ZINC000594042556 521368960 /nfs/dbraw/zinc/36/89/60/521368960.db2.gz VIXACTAKTSJJEL-CQSZACIVSA-N 0 3 365.430 2.798 20 5 FFBDHN CN(C)CCn1c2cc(NCCc3ccc([N+](=O)[O-])cc3)ccc2oc1=O ZINC000602588552 521424714 /nfs/dbraw/zinc/42/47/14/521424714.db2.gz OCKHAZDERSXUHM-UHFFFAOYSA-N 0 3 370.409 2.719 20 5 FFBDHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594198646 521464088 /nfs/dbraw/zinc/46/40/88/521464088.db2.gz UGOKFLHPTHOFOL-CVEARBPZSA-N 0 3 353.369 2.549 20 5 FFBDHN CCCN1C[C@H](CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1=O ZINC000602700305 521486119 /nfs/dbraw/zinc/48/61/19/521486119.db2.gz UZANVOYAXNWDFL-NSHDSACASA-N 0 3 359.348 2.962 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN(CCCO)Cc1cccc(Cl)c1 ZINC000602796422 521537663 /nfs/dbraw/zinc/53/76/63/521537663.db2.gz NQHVPIAEFKGJSG-UHFFFAOYSA-N 0 3 352.822 2.638 20 5 FFBDHN COc1c(C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000619437728 521567605 /nfs/dbraw/zinc/56/76/05/521567605.db2.gz QEHVVZGZAGRSFO-MRXNPFEDSA-N 0 3 369.421 2.950 20 5 FFBDHN O=C1CC[C@@H]2CN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC[C@@H]2N1 ZINC000597207814 521575314 /nfs/dbraw/zinc/57/53/14/521575314.db2.gz VTRRKYDXDPBJHP-PBHICJAKSA-N 0 3 355.394 2.955 20 5 FFBDHN CC(C)[C@H](CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccnn1C ZINC000615943123 521583818 /nfs/dbraw/zinc/58/38/18/521583818.db2.gz BRBXHFQLSPBXEB-AWEZNQCLSA-N 0 3 360.414 2.629 20 5 FFBDHN CC[C@H]1CN(C)CCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000619566919 521773006 /nfs/dbraw/zinc/77/30/06/521773006.db2.gz AFNYMYGTIBNPIP-KRWDZBQOSA-N 0 3 374.485 2.754 20 5 FFBDHN CCCN1CC[C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000619895838 521930896 /nfs/dbraw/zinc/93/08/96/521930896.db2.gz NWOGCCRCMHEULR-MRXNPFEDSA-N 0 3 363.461 2.755 20 5 FFBDHN C[C@H](CN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485396630 561318390 /nfs/dbraw/zinc/31/83/90/561318390.db2.gz XMROFSWLRPXXMK-CQSZACIVSA-N 0 3 373.432 2.844 20 5 FFBDHN CC[NH+](CC)[C@H](CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)CC(C)C ZINC000821180341 607346347 /nfs/dbraw/zinc/34/63/47/607346347.db2.gz BRHMJAAKGARSBL-AWEZNQCLSA-N 0 3 361.450 2.943 20 5 FFBDHN CC[C@H]([NH2+]CCOc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000825142946 608282806 /nfs/dbraw/zinc/28/28/06/608282806.db2.gz UJLHMKUEECLMLE-KRWDZBQOSA-N 0 3 368.397 2.895 20 5 FFBDHN O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000826499565 608527323 /nfs/dbraw/zinc/52/73/23/608527323.db2.gz NNAHRHDZMFWBPD-SFHVURJKSA-N 0 3 364.409 2.985 20 5 FFBDHN O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000826499565 608527324 /nfs/dbraw/zinc/52/73/24/608527324.db2.gz NNAHRHDZMFWBPD-SFHVURJKSA-N 0 3 364.409 2.985 20 5 FFBDHN Cn1cc([C@@]2(CNCc3ccc([N+](=O)[O-])c(Cl)c3)CCCO2)cn1 ZINC000898056388 735308418 /nfs/dbraw/zinc/30/84/18/735308418.db2.gz GEQIVQWNLIJBGG-INIZCTEOSA-N 0 3 350.806 2.777 20 5 FFBDHN CN1CCCC[C@H]1CCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000859689109 730463042 /nfs/dbraw/zinc/46/30/42/730463042.db2.gz NAPSEDPDIQJLEA-LBPRGKRZSA-N 0 3 352.362 2.724 20 5 FFBDHN CCO[C@H](C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-])[C@@H]1CCOC1 ZINC000870455158 731516339 /nfs/dbraw/zinc/51/63/39/731516339.db2.gz WGFCZJSXLXMJLG-VZAMPYOESA-N 0 3 355.362 2.517 20 5 FFBDHN CCCS(=O)(=O)N1CCC(N[C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872022857 731721315 /nfs/dbraw/zinc/72/13/15/731721315.db2.gz MASRTRKRFRCUBN-GFCCVEGCSA-N 0 3 373.450 2.589 20 5 FFBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000874831653 732104938 /nfs/dbraw/zinc/10/49/38/732104938.db2.gz ADNZDQMANBLELV-NEPJUHHUSA-N 0 3 355.341 2.505 20 5 FFBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000874831654 732105113 /nfs/dbraw/zinc/10/51/13/732105113.db2.gz ADNZDQMANBLELV-NWDGAFQWSA-N 0 3 355.341 2.505 20 5 FFBDHN COC[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1cccc(Br)c1 ZINC000879662208 732745912 /nfs/dbraw/zinc/74/59/12/732745912.db2.gz UIGJYAANRANDPY-CYBMUJFWSA-N 0 3 369.219 2.531 20 5 FFBDHN C[C@]1(Br)C[C@@H]1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000892078498 734512573 /nfs/dbraw/zinc/51/25/73/734512573.db2.gz NNZPRCFSJWHBIQ-GYSYKLTISA-N 0 3 355.236 2.650 20 5 FFBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000894048516 734793216 /nfs/dbraw/zinc/79/32/16/734793216.db2.gz ZGGTVGPRGYJEQO-LSDHHAIUSA-N 0 3 366.849 2.669 20 5 FFBDHN CN(C)CCN(Cc1cccs1)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000752498141 735990997 /nfs/dbraw/zinc/99/09/97/735990997.db2.gz LTDURYQYOFNGNJ-UHFFFAOYSA-N 0 3 351.403 2.999 20 5 FFBDHN C[C@@H]1CC[C@H](C)N1[C@H]1CCCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768812712 737461081 /nfs/dbraw/zinc/46/10/81/737461081.db2.gz LXKUSKDSEHSWNR-XQQFMLRXSA-N 0 3 373.500 2.682 20 5 FFBDHN C[C@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C)C1 ZINC000778231246 738365090 /nfs/dbraw/zinc/36/50/90/738365090.db2.gz FKQDNZCHWLLUPM-CHWSQXEVSA-N 0 3 355.385 2.923 20 5 FFBDHN C[C@@]1(NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCO[C@@H]1C1CC1 ZINC000784586961 738905730 /nfs/dbraw/zinc/90/57/30/738905730.db2.gz BSQBXMCJWVXGLZ-HZPDHXFCSA-N 0 3 353.806 2.734 20 5 FFBDHN O=[N+]([O-])c1cnn(CCN[C@@H]2CCOc3ccc(Br)cc32)c1 ZINC000932208942 739405790 /nfs/dbraw/zinc/40/57/90/739405790.db2.gz LHQJFHGMIIXSEM-CYBMUJFWSA-N 0 3 367.203 2.667 20 5 FFBDHN COC(=O)CC1(NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCCCC1 ZINC000792870689 739714494 /nfs/dbraw/zinc/71/44/94/739714494.db2.gz JGBQOLYGKDUIDZ-UHFFFAOYSA-N 0 3 351.359 2.859 20 5 FFBDHN O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H]2CCCN2C2CCCCC2)cs1 ZINC000797844224 740279995 /nfs/dbraw/zinc/27/99/95/740279995.db2.gz AMJBVOILSJTNFM-CYBMUJFWSA-N 0 3 373.500 2.732 20 5 FFBDHN COC(=O)C[C@H](NCc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000801539149 740628896 /nfs/dbraw/zinc/62/88/96/740628896.db2.gz CCAFDEGIQFWNCU-LBPRGKRZSA-N 0 3 357.204 2.789 20 5 FFBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1ccc(Br)cc1 ZINC000813109509 741677946 /nfs/dbraw/zinc/67/79/46/741677946.db2.gz KBBDSXCSEOVWNS-VIFPVBQESA-N 0 3 368.187 2.765 20 5 FFBDHN COc1ccc(Br)cc1C(=O)CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813109493 741678065 /nfs/dbraw/zinc/67/80/65/741678065.db2.gz UNKYYSFEUMGBBT-VIFPVBQESA-N 0 3 374.187 2.629 20 5 FFBDHN O=[N+]([O-])c1cc(F)c(Cl)cc1N1CCC(CN2CCOCC2)CC1 ZINC000820629516 742529723 /nfs/dbraw/zinc/52/97/23/742529723.db2.gz MBLHPTQKAWCLHS-UHFFFAOYSA-N 0 3 357.813 2.936 20 5 FFBDHN CC[C@H](C)N1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000832188342 745653553 /nfs/dbraw/zinc/65/35/53/745653553.db2.gz XUUFNOZRCNHCSH-LBPRGKRZSA-N 0 3 354.838 2.603 20 5 FFBDHN CC(COC(=O)c1nn(-c2cc(Cl)ccc2F)c2c1CCC2)[N+](=O)[O-] ZINC000842802472 747692993 /nfs/dbraw/zinc/69/29/93/747692993.db2.gz ZSORWYHVVZZSIQ-SECBINFHSA-N 0 3 367.764 2.976 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](O)CNC[C@H](O)c2c(F)cccc2Cl)c1 ZINC000843084474 747764701 /nfs/dbraw/zinc/76/47/01/747764701.db2.gz BBTQEGOGPWBQBS-CABCVRRESA-N 0 3 354.765 2.744 20 5 FFBDHN Cc1csc(=O)n1CCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845872284 748340663 /nfs/dbraw/zinc/34/06/63/748340663.db2.gz FZFJWUUVFXLIFL-ABAIWWIYSA-N 0 3 368.386 2.697 20 5 FFBDHN CSc1c(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cnn1C ZINC000845877040 748342948 /nfs/dbraw/zinc/34/29/48/748342948.db2.gz DMXQGCADQYINEB-ZANVPECISA-N 0 3 353.375 2.844 20 5 FFBDHN CC([C@@H](OC(=O)c1ccnn1CC(F)F)c1ccccc1F)[N+](=O)[O-] ZINC000845883498 748344241 /nfs/dbraw/zinc/34/42/41/748344241.db2.gz UCVMHQZMGZPQLO-LKFCYVNXSA-N 0 3 357.288 2.851 20 5 FFBDHN COc1cnc(F)c(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000847736945 748769977 /nfs/dbraw/zinc/76/99/77/748769977.db2.gz GIEQIMYAMZSUAG-XPTSAGLGSA-N 0 3 352.293 2.932 20 5 FFBDHN COc1cc(C(=O)OC[C@@H](C)N2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000847958394 748817151 /nfs/dbraw/zinc/81/71/51/748817151.db2.gz JHOSPXVOWHPPST-GFCCVEGCSA-N 0 3 352.387 2.643 20 5 FFBDHN O=[N+]([O-])c1cc(CN2CCC[C@H](N3CCOCC3)CC2)ccc1Cl ZINC000848930042 749037727 /nfs/dbraw/zinc/03/77/27/749037727.db2.gz MUVZDUJIIMPMEE-HNNXBMFYSA-N 0 3 353.850 2.935 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCC[S@](=O)CC(F)(F)F)CCC2 ZINC000850497554 749376105 /nfs/dbraw/zinc/37/61/05/749376105.db2.gz VIBHSLIYJMMYMC-NPMABZOXSA-N 0 3 350.362 2.873 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)c1F ZINC000854427601 750306152 /nfs/dbraw/zinc/30/61/52/750306152.db2.gz ROBHRBXRJVFIBA-RYUDHWBXSA-N 0 3 353.369 2.880 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@@H](CO)c2cccc(C(F)(F)F)c2)c1 ZINC000872217095 1013182057 /nfs/dbraw/zinc/18/20/57/1013182057.db2.gz MZJYCYXBIJDIMO-JKSUJKDBSA-N 0 3 370.327 2.970 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C(CC)CC)N(C)C ZINC001211530576 965566941 /nfs/dbraw/zinc/56/69/41/965566941.db2.gz GTZGTQPQTABMHQ-MRXNPFEDSA-N 0 3 371.503 2.802 20 5 FFBDHN Cc1c(NC(=O)[C@@H](C)NCC2(C3(O)CCC3)CCC2)cccc1[N+](=O)[O-] ZINC001176051461 1013622356 /nfs/dbraw/zinc/62/23/56/1013622356.db2.gz DZOVXIUQKRTRCT-CQSZACIVSA-N 0 3 361.442 2.905 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CN1C1CC1 ZINC000177132653 969060668 /nfs/dbraw/zinc/06/06/68/969060668.db2.gz DIXHNCBAMZVSOI-HUUCEWRRSA-N 0 3 372.469 2.940 20 5 FFBDHN NCc1nn(-c2nc3cc([N+](=O)[O-])ccc3nc2Cl)c2ccccc12 ZINC001167696377 969562159 /nfs/dbraw/zinc/56/21/59/969562159.db2.gz YSIOVNAKIDOIKR-UHFFFAOYSA-N 0 3 354.757 2.989 20 5 FFBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000874828464 1013910265 /nfs/dbraw/zinc/91/02/65/1013910265.db2.gz GZEHSYMZCCZGIV-DLBZAZTESA-N 0 3 366.421 2.966 20 5 FFBDHN COc1c(O)ccc(CNC[C@@H]2C[C@H](c3ccccc3)CO2)c1[N+](=O)[O-] ZINC000895378248 970520130 /nfs/dbraw/zinc/52/01/30/970520130.db2.gz PVKXGDCEJKEVOS-HOTGVXAUSA-N 0 3 358.394 2.971 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000876809104 1014402275 /nfs/dbraw/zinc/40/22/75/1014402275.db2.gz CQMKDISFWGMRKT-MAUKXSAKSA-N 0 3 358.442 2.891 20 5 FFBDHN O=[N+]([O-])c1ccc(CCNCc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000729682092 981283679 /nfs/dbraw/zinc/28/36/79/981283679.db2.gz KUIDBKABABRTLU-UHFFFAOYSA-N 0 3 359.338 2.607 20 5 FFBDHN COC(=O)c1cc2n(n1)CCC[C@H]2NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000897984597 982581251 /nfs/dbraw/zinc/58/12/51/982581251.db2.gz BKESHMSGCCRIOA-BTKRWWFXSA-N 0 3 356.382 2.716 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(O)(c2cccc(C)c2C)CC1 ZINC000878135118 1014878039 /nfs/dbraw/zinc/87/80/39/1014878039.db2.gz MDZATWNAMGZGBE-UHFFFAOYSA-N 0 3 358.442 2.700 20 5 FFBDHN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H](C)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000063586880 985955912 /nfs/dbraw/zinc/95/59/12/985955912.db2.gz RGAJVBNDUHAMDI-LBPRGKRZSA-N 0 3 364.402 2.662 20 5 FFBDHN O=C1[C@@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCN1c1ccccc1F ZINC000763369123 989778271 /nfs/dbraw/zinc/77/82/71/989778271.db2.gz PYZGOYOMDUAXRB-WMZOPIPTSA-N 0 3 373.384 2.553 20 5 FFBDHN O=C1[C@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCN1c1ccccc1F ZINC000763369117 989778446 /nfs/dbraw/zinc/77/84/46/989778446.db2.gz PYZGOYOMDUAXRB-AEFFLSMTSA-N 0 3 373.384 2.553 20 5 FFBDHN O=C(CNC1([C@H]2CCCCO2)CCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000879733642 1015657702 /nfs/dbraw/zinc/65/77/02/1015657702.db2.gz BASZZQYUBAWYGT-QGZVFWFLSA-N 0 3 359.426 2.565 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1cccc(CN2CCCC2)c1 ZINC000805861084 996887642 /nfs/dbraw/zinc/88/76/42/996887642.db2.gz FUAQBDLSURVYKF-UHFFFAOYSA-N 0 3 358.398 2.553 20 5 FFBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)N1CCCC[C@@H]1C ZINC000825460551 997386845 /nfs/dbraw/zinc/38/68/45/997386845.db2.gz AHPAKNJVZGSREG-QWHCGFSZSA-N 0 3 366.437 2.793 20 5 FFBDHN CC([C@H](OC(=O)[C@@H]1CCc2cnn(C)c2C1)c1ccccc1F)[N+](=O)[O-] ZINC000845876294 998676814 /nfs/dbraw/zinc/67/68/14/998676814.db2.gz BTPYXEPSUIWVLD-QFSBIZTOSA-N 0 3 361.373 2.614 20 5 FFBDHN CC([C@H](OC(=O)CCc1ccc(C(N)=O)cc1)c1ccccc1F)[N+](=O)[O-] ZINC000845877699 998677804 /nfs/dbraw/zinc/67/78/04/998677804.db2.gz GCNHWZZZJCVDDU-XIKOKIGWSA-N 0 3 374.368 2.807 20 5 FFBDHN CCOC(=O)c1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])on1 ZINC000845882639 998678699 /nfs/dbraw/zinc/67/86/99/998678699.db2.gz PGYPJJGTDJBSFF-OTYXRUKQSA-N 0 3 366.301 2.554 20 5 FFBDHN COc1cc(N2CCN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)ccc1Cl ZINC001169046807 1000018458 /nfs/dbraw/zinc/01/84/58/1000018458.db2.gz NDISEZJYFOGLAD-UONOGXRCSA-N 0 3 353.850 2.916 20 5 FFBDHN CC[C@H]1CN(C)CCCN1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000846972053 1000490289 /nfs/dbraw/zinc/49/02/89/1000490289.db2.gz LMGZPSISSDAFIJ-ZDUSSCGKSA-N 0 3 364.402 2.676 20 5 FFBDHN COC(=O)COc1cccc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000788643795 1001831438 /nfs/dbraw/zinc/83/14/38/1001831438.db2.gz LGKSIXJOGQPHNW-GFCCVEGCSA-N 0 3 359.382 2.580 20 5 FFBDHN COc1ccc(C[C@H](C)N2CCC(NC(=O)C(C)C)CC2)c([N+](=O)[O-])c1 ZINC001170345819 1003131623 /nfs/dbraw/zinc/13/16/23/1003131623.db2.gz MJXDVBIVELLGTM-AWEZNQCLSA-N 0 3 363.458 2.771 20 5 FFBDHN CCC[C@H](C)NC(=O)[C@@H]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776580515 1005961260 /nfs/dbraw/zinc/96/12/60/1005961260.db2.gz VYLMDUQXSLRZSW-YXJHDRRASA-N 0 3 363.458 2.645 20 5 FFBDHN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)C[C@H]2CCCN2C)CC1 ZINC000817492646 1007619940 /nfs/dbraw/zinc/61/99/40/1007619940.db2.gz ZOPZPGZXIZWWGC-QGZVFWFLSA-N 0 3 374.485 2.997 20 5 FFBDHN Nc1ccc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000114694409 1008017876 /nfs/dbraw/zinc/01/78/76/1008017876.db2.gz YZQTXRFBWZGLLJ-INIZCTEOSA-N 0 3 354.410 2.571 20 5 FFBDHN CCOCCn1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cn1 ZINC000857035545 1008043882 /nfs/dbraw/zinc/04/38/82/1008043882.db2.gz HXTISMOQOIUNER-BLLLJJGKSA-N 0 3 365.361 2.622 20 5 FFBDHN C[C@H](N[C@@H]1CCc2ccccc2OC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000509517368 1009527751 /nfs/dbraw/zinc/52/77/51/1009527751.db2.gz TXJBBQWGTJZWBO-DZGCQCFKSA-N 0 3 355.394 2.905 20 5 FFBDHN C[C@H](N[C@H]1CCc2ccccc2OC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000509517371 1009528275 /nfs/dbraw/zinc/52/82/75/1009528275.db2.gz TXJBBQWGTJZWBO-ZFWWWQNUSA-N 0 3 355.394 2.905 20 5 FFBDHN Cc1ccc([C@H](C)NC[C@H](O)CCNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000794464410 1010043974 /nfs/dbraw/zinc/04/39/74/1010043974.db2.gz PFYYSIPXTRKYMR-DZGCQCFKSA-N 0 3 367.446 2.830 20 5 FFBDHN CC(C)[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1 ZINC000794602233 1010434887 /nfs/dbraw/zinc/43/48/87/1010434887.db2.gz CZUZZVQVSJBGPU-VQTJNVASSA-N 0 3 371.437 2.905 20 5 FFBDHN CN(CCCN(C)C(=O)Cc1cccc(F)c1[N+](=O)[O-])Cc1ccncc1 ZINC000868391362 1011278015 /nfs/dbraw/zinc/27/80/15/1011278015.db2.gz IZAOXEUFNSHVIG-UHFFFAOYSA-N 0 3 374.416 2.652 20 5 FFBDHN COc1cc(CN(C)C)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000868813201 1011488765 /nfs/dbraw/zinc/48/87/65/1011488765.db2.gz UCLUEGIALCZUKM-UHFFFAOYSA-N 0 3 372.425 2.983 20 5 FFBDHN CCN(C/C(Cl)=C\Cl)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001274950533 1011773547 /nfs/dbraw/zinc/77/35/47/1011773547.db2.gz QUBUOYDVQCKVEV-DXIMFJFMSA-N 0 3 364.273 2.531 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N(C)[C@H]2CCCN(C(C)=O)C2)c1F ZINC001173191462 1012331092 /nfs/dbraw/zinc/33/10/92/1012331092.db2.gz FKBXUVGSJHVORN-OCCSQVGLSA-N 0 3 367.421 2.616 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCC(=O)Nc2ccccc2)c1F ZINC001173189650 1012331698 /nfs/dbraw/zinc/33/16/98/1012331698.db2.gz PGZJSAJBLQONJA-LBPRGKRZSA-N 0 3 361.373 2.902 20 5 FFBDHN COCCn1ncc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c1C ZINC000870455312 1012390212 /nfs/dbraw/zinc/39/02/12/1012390212.db2.gz WXSAVNQYOXOAED-MLGOLLRUSA-N 0 3 365.361 2.540 20 5 FFBDHN O=[N+]([O-])c1ccc2[nH]c(-c3nc(-c4ccc5c(n4)CCNC5)no3)cc2c1 ZINC001217162496 1032631377 /nfs/dbraw/zinc/63/13/77/1032631377.db2.gz UZHKJNJITDWELM-UHFFFAOYSA-N 0 3 362.349 2.834 20 5 FFBDHN COc1c(C)[nH]cc(CN(C)CCCOc2ccc([N+](=O)[O-])cc2)c1=O ZINC000931322980 1020422430 /nfs/dbraw/zinc/42/24/30/1020422430.db2.gz ITFZQMZWPPDFDN-UHFFFAOYSA-N 0 3 361.398 2.501 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)C1CC[C@@H](C(F)(F)F)NC1=O ZINC000778770143 1022346870 /nfs/dbraw/zinc/34/68/70/1022346870.db2.gz ACBUQVVVKAKZOG-GAFUQQFSSA-N 0 3 374.315 2.965 20 5 FFBDHN CCCN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC001118774447 1022394446 /nfs/dbraw/zinc/39/44/46/1022394446.db2.gz DCVSPSYUSZJBMQ-HNNXBMFYSA-N 0 3 360.458 2.799 20 5 FFBDHN C/C(=C\C(=O)N(CCN(C)C)Cc1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000752074991 1023050038 /nfs/dbraw/zinc/05/00/38/1023050038.db2.gz QPCOQFQRWDUKKL-JQIJEIRASA-N 0 3 368.437 2.984 20 5 FFBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000755192827 1023576277 /nfs/dbraw/zinc/57/62/77/1023576277.db2.gz PLYFOINKFGGMNP-WLGQOEQESA-N 0 3 373.453 2.711 20 5 FFBDHN CN(C)Cc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000193912696 1024714266 /nfs/dbraw/zinc/71/42/66/1024714266.db2.gz YUEXLLYTYCZGQO-UHFFFAOYSA-N 0 3 368.437 2.619 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000839643358 1026771611 /nfs/dbraw/zinc/77/16/11/1026771611.db2.gz RQPYJQFDBLNXDC-FQEVSTJZSA-N 0 3 369.421 2.623 20 5 FFBDHN CN(CCCN(C)C(=O)OC(C)(C)C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000839654082 1026776205 /nfs/dbraw/zinc/77/62/05/1026776205.db2.gz FAEZVYJANZKIPN-INIZCTEOSA-N 0 3 367.446 2.817 20 5 FFBDHN CSc1nc(Cl)nc(N2CCCc3ccc(CN)nc32)c1[N+](=O)[O-] ZINC001158652609 1027084566 /nfs/dbraw/zinc/08/45/66/1027084566.db2.gz RNZKWXTWGMKPST-UHFFFAOYSA-N 0 3 366.834 2.698 20 5 FFBDHN Cc1c(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000249948064 1028410854 /nfs/dbraw/zinc/41/08/54/1028410854.db2.gz ZUIGOERPKCBCHM-VXGBXAGGSA-N 0 3 364.402 2.662 20 5 FFBDHN COc1ccc(OC)c([C@@H](O)CN(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000796110454 1028474215 /nfs/dbraw/zinc/47/42/15/1028474215.db2.gz CWGALJCHDYRLFV-SFHVURJKSA-N 0 3 360.410 2.820 20 5 FFBDHN O=[N+]([O-])c1ccccc1-c1ccc(N[C@H]2CCCC[C@@]23CNCCO3)nn1 ZINC001155834453 1028934506 /nfs/dbraw/zinc/93/45/06/1028934506.db2.gz VUHLKKMSNGFTTK-PKOBYXMFSA-N 0 3 369.425 2.765 20 5 FFBDHN CSc1nc(Cl)c([N+](=O)[O-])c(N2CCNC[C@@H]2c2cccs2)n1 ZINC001156089388 1029042352 /nfs/dbraw/zinc/04/23/52/1029042352.db2.gz MAJCOJQVXPRUEM-MRVPVSSYSA-N 0 3 371.875 2.973 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)c1 ZINC001165089305 1029380645 /nfs/dbraw/zinc/38/06/45/1029380645.db2.gz TUBMRDFKGLAKAP-ZBFHGGJFSA-N 0 3 374.828 2.592 20 5 FFBDHN COc1ccc(CN(C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cn1 ZINC000782525961 1029732555 /nfs/dbraw/zinc/73/25/55/1029732555.db2.gz FREBXSAYWISXBP-UHFFFAOYSA-N 0 3 362.361 2.598 20 5 FFBDHN CN(C)[C@@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000842511831 1030772977 /nfs/dbraw/zinc/77/29/77/1030772977.db2.gz CXBMYZPOVRHZQJ-QTJNJRLBSA-N 0 3 353.422 2.897 20 5 FFBDHN COC(=O)c1cc(OC)c(O[C@@H]2CCCN(C(C)C)C2)cc1[N+](=O)[O-] ZINC001226433743 1034681620 /nfs/dbraw/zinc/68/16/20/1034681620.db2.gz JSIOHQNDNAVJGA-GFCCVEGCSA-N 0 3 352.387 2.642 20 5 FFBDHN CN1CCc2cc(O[C@H](C[N+](=O)[O-])c3ccc4c(c3)OCO4)ccc2C1 ZINC001228945027 1036421241 /nfs/dbraw/zinc/42/12/41/1036421241.db2.gz RZKYGHHTQXDGSA-LJQANCHMSA-N 0 3 356.378 2.800 20 5 FFBDHN CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3cc([N+](=O)[O-])cc4cccnc43)C[C@H]1N2C ZINC001229345803 1036623637 /nfs/dbraw/zinc/62/36/37/1036623637.db2.gz HZWWCFHUTMDGQA-LLLHUVSDSA-N 0 3 371.393 2.689 20 5 FFBDHN COc1cc(N2CCC(N[C@@H](C)c3cnccn3)CC2)ccc1[N+](=O)[O-] ZINC001256087657 1038373547 /nfs/dbraw/zinc/37/35/47/1038373547.db2.gz JREOFWYPEKAXEX-ZDUSSCGKSA-N 0 3 357.414 2.713 20 5 FFBDHN COc1nccc(C)c1-c1noc(C[C@@H](N)c2ccccc2[N+](=O)[O-])n1 ZINC001249343243 1040691915 /nfs/dbraw/zinc/69/19/15/1040691915.db2.gz YQLSCKHWCPCLHL-GFCCVEGCSA-N 0 3 355.354 2.599 20 5 FFBDHN O=C(CNC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Cc1ccccc1 ZINC001254467682 1040735504 /nfs/dbraw/zinc/73/55/04/1040735504.db2.gz CYLJACOTXRZKFM-UHFFFAOYSA-N 0 3 353.422 2.965 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](NCc1cccc(OC3CCOCC3)n1)C2 ZINC001254580121 1040812057 /nfs/dbraw/zinc/81/20/57/1040812057.db2.gz CDKVACDLQUBWNI-KRWDZBQOSA-N 0 3 369.421 2.805 20 5 FFBDHN O=c1[n-]cc([N+](=O)[O-])cc1-c1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001255457331 1041347034 /nfs/dbraw/zinc/34/70/34/1041347034.db2.gz ULPUJBFHXSXDMJ-ZDUSSCGKSA-N 0 3 367.365 2.735 20 5 FFBDHN O=c1[n-]cc([N+](=O)[O-])cc1-c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255457331 1041347043 /nfs/dbraw/zinc/34/70/43/1041347043.db2.gz ULPUJBFHXSXDMJ-ZDUSSCGKSA-N 0 3 367.365 2.735 20 5 FFBDHN Cc1cc(NC[C@@H](CO)CC2CCOCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC001322013903 1045913237 /nfs/dbraw/zinc/91/32/37/1045913237.db2.gz PFVVYSAZEPSVER-HNNXBMFYSA-N 0 3 359.426 2.710 20 5 FFBDHN CC1(C)[C@H](NCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@H]2CCCO[C@H]21 ZINC001324732944 1046194037 /nfs/dbraw/zinc/19/40/37/1046194037.db2.gz DMYPBBJJVVEXEX-HFBAOOFYSA-N 0 3 367.833 2.980 20 5 FFBDHN C[C@H]1CCCN(CCNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001290892614 1048485752 /nfs/dbraw/zinc/48/57/52/1048485752.db2.gz ZSOBMVKEFKDHSV-ZDUSSCGKSA-N 0 3 356.426 2.792 20 5 FFBDHN CC(C)(NC(=O)c1cccc2c1OCCNC2)c1ccc([N+](=O)[O-])cc1 ZINC001341613406 1050241348 /nfs/dbraw/zinc/24/13/48/1050241348.db2.gz UEJLPOWJMWEORQ-UHFFFAOYSA-N 0 3 355.394 2.742 20 5 FFBDHN O=[N+]([O-])c1cc(-c2nc([C@H]3CN4CCC3CC4)no2)ccc1-n1ccnc1 ZINC001342547521 1051150518 /nfs/dbraw/zinc/15/05/18/1051150518.db2.gz YXBGRFQQPXTSFG-AWEZNQCLSA-N 0 3 366.381 2.640 20 5 FFBDHN CCn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1CCN(C2CCCC2)CC1 ZINC001341000523 1051336176 /nfs/dbraw/zinc/33/61/76/1051336176.db2.gz ALMNAEWLAXUDGS-UHFFFAOYSA-N 0 3 360.418 2.531 20 5 FFBDHN O=C(c1cccc([N+](=O)[O-])c1)N1C[C@@H](C[C@H]2COCCN2)c2ccccc21 ZINC001342875883 1051484880 /nfs/dbraw/zinc/48/48/80/1051484880.db2.gz OXFVDYBTSXVXIW-CVEARBPZSA-N 0 3 367.405 2.717 20 5 FFBDHN Cc1cccc2[nH]c(CN[C@H](CO)[C@H](O)c3ccc([N+](=O)[O-])cc3)cc21 ZINC000850139853 1052338495 /nfs/dbraw/zinc/33/84/95/1052338495.db2.gz TZYHJVGTCZRNQV-RTBURBONSA-N 0 3 355.394 2.569 20 5 FFBDHN COc1ccc(NC(=O)CNC2([C@H]3CCCCO3)CCC2)c([N+](=O)[O-])c1 ZINC001308029797 1052387902 /nfs/dbraw/zinc/38/79/02/1052387902.db2.gz VDMIFFLMGIFESZ-MRXNPFEDSA-N 0 3 363.414 2.623 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(Nc3ccccc3)CC2)c1 ZINC001334934618 1053155954 /nfs/dbraw/zinc/15/59/54/1053155954.db2.gz BDBQKXYQLQVYJN-IBGZPJMESA-N 0 3 371.437 2.911 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](O)CNCc2cccnc2N2CCCCC2)c1 ZINC001335344890 1053306495 /nfs/dbraw/zinc/30/64/95/1053306495.db2.gz HWFQYNTYSZNYQU-GOSISDBHSA-N 0 3 356.426 2.803 20 5 FFBDHN CN(C)C[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001338447962 1055523140 /nfs/dbraw/zinc/52/31/40/1055523140.db2.gz GDFQTPRJGMYKBX-QGZVFWFLSA-N 0 3 374.416 2.955 20 5 FFBDHN CS[C@@H]1CN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1N(C)C ZINC001447106534 1058597319 /nfs/dbraw/zinc/59/73/19/1058597319.db2.gz QGGRMZQFFBYNOO-HUUCEWRRSA-N 0 3 371.890 2.685 20 5 FFBDHN C[C@H]1CC2(CN1CN1CC[C@@H](c3ccc([N+](=O)[O-])cc3)C1=O)CCOCC2 ZINC000848489103 1060144039 /nfs/dbraw/zinc/14/40/39/1060144039.db2.gz JCZROMWSYNDSHK-YJBOKZPZSA-N 0 3 373.453 2.759 20 5 FFBDHN Cc1cc(S(=O)(=O)[N-]CC[C@H](C)[NH+]2CCCCC2)c(F)cc1[N+](=O)[O-] ZINC001475185821 1060986466 /nfs/dbraw/zinc/98/64/66/1060986466.db2.gz FPBPOPZUFFTMQR-ZDUSSCGKSA-N 0 3 373.450 2.585 20 5 FFBDHN Cc1nc(C)c(CN2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)[nH]1 ZINC001473363708 1065248796 /nfs/dbraw/zinc/24/87/96/1065248796.db2.gz DHPWKAOLANCUPN-UHFFFAOYSA-N 0 3 369.429 2.523 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](C1CCCCC1)N(C)C ZINC001474824867 1065618183 /nfs/dbraw/zinc/61/81/83/1065618183.db2.gz MARMLBCCIYNYDM-MRXNPFEDSA-N 0 3 369.487 2.692 20 5 FFBDHN Cc1cccc(CN2CCO[C@@H](CNCc3cccc([N+](=O)[O-])c3)C2)c1 ZINC001560561632 1076280262 /nfs/dbraw/zinc/28/02/62/1076280262.db2.gz UTJVEBVIVKIOEX-FQEVSTJZSA-N 0 3 355.438 2.894 20 5 FFBDHN C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590188078 1081076984 /nfs/dbraw/zinc/07/69/84/1081076984.db2.gz PRDVKQCJBVROLQ-UPJWGTAASA-N 0 3 359.434 2.553 20 5 FFBDHN C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590188078 1081076989 /nfs/dbraw/zinc/07/69/89/1081076989.db2.gz PRDVKQCJBVROLQ-UPJWGTAASA-N 0 3 359.434 2.553 20 5 FFBDHN C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001590227454 1081108613 /nfs/dbraw/zinc/10/86/13/1081108613.db2.gz OZFFPCNJZRFHMY-UMVBOHGHSA-N 0 3 371.445 2.617 20 5 FFBDHN C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001590227454 1081108617 /nfs/dbraw/zinc/10/86/17/1081108617.db2.gz OZFFPCNJZRFHMY-UMVBOHGHSA-N 0 3 371.445 2.617 20 5 FFBDHN C[C@@H]1CCC[N@H+](CCCCNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590259595 1081128662 /nfs/dbraw/zinc/12/86/62/1081128662.db2.gz LJFADHBLXFYPRM-CYBMUJFWSA-N 0 3 359.434 2.699 20 5 FFBDHN C[C@@H]1CCC[N@@H+](CCCCNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590259595 1081128667 /nfs/dbraw/zinc/12/86/67/1081128667.db2.gz LJFADHBLXFYPRM-CYBMUJFWSA-N 0 3 359.434 2.699 20 5 FFBDHN C[C@@H]1CCC[N@H+](CCCCNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001590259595 1081128672 /nfs/dbraw/zinc/12/86/72/1081128672.db2.gz LJFADHBLXFYPRM-CYBMUJFWSA-N 0 3 359.434 2.699 20 5 FFBDHN C[C@@H]1CCC[N@@H+](CCCCNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001590259595 1081128675 /nfs/dbraw/zinc/12/86/75/1081128675.db2.gz LJFADHBLXFYPRM-CYBMUJFWSA-N 0 3 359.434 2.699 20 5 FFBDHN CN(C)[C@@H]1CCCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000272334577 252013074 /nfs/dbraw/zinc/01/30/74/252013074.db2.gz ATZUUSFIVYZBSM-CQSZACIVSA-N 0 3 354.838 2.526 20 5 FFBDHN C[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000272707801 252107791 /nfs/dbraw/zinc/10/77/91/252107791.db2.gz HAQDGCZGTKSPMD-GFCCVEGCSA-N 0 3 366.849 2.740 20 5 FFBDHN CS[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@@H]1N1CCCC1 ZINC000275825018 256051762 /nfs/dbraw/zinc/05/17/62/256051762.db2.gz RQXQJBVESNWDSI-GJZGRUSLSA-N 0 3 368.434 2.777 20 5 FFBDHN C[C@@H](CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)N1CCCCC1 ZINC000276348947 256091910 /nfs/dbraw/zinc/09/19/10/256091910.db2.gz UCEQAODKPLLEQG-ZDUSSCGKSA-N 0 3 355.460 2.675 20 5 FFBDHN Cc1cc(C)c(S(=O)(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000277051944 256156648 /nfs/dbraw/zinc/15/66/48/256156648.db2.gz LYFMXYJYDWDNJB-AWEZNQCLSA-N 0 3 369.487 2.562 20 5 FFBDHN CCCN(C)[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000285767826 257003539 /nfs/dbraw/zinc/00/35/39/257003539.db2.gz AASSRKZJTBVYLQ-ZDUSSCGKSA-N 0 3 365.821 2.784 20 5 FFBDHN CCN1CCN(C[C@@H](C)CNc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000277212455 256172696 /nfs/dbraw/zinc/17/26/96/256172696.db2.gz ZBCWQFYUVKKAPD-HNNXBMFYSA-N 0 3 357.458 2.829 20 5 FFBDHN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCN(CC2CCOCC2)CC1 ZINC000278423630 256310979 /nfs/dbraw/zinc/31/09/79/256310979.db2.gz OYEHFJPMCXNQLQ-UHFFFAOYSA-N 0 3 374.363 2.557 20 5 FFBDHN CN(C)c1cc(F)c(C(=O)N2CCC[C@@H]2CN2CCCC2)cc1[N+](=O)[O-] ZINC000279185924 256390996 /nfs/dbraw/zinc/39/09/96/256390996.db2.gz IXBXFFUAURVQPV-CYBMUJFWSA-N 0 3 364.421 2.500 20 5 FFBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279266029 256399672 /nfs/dbraw/zinc/39/96/72/256399672.db2.gz JUXOWPVNCDRGDZ-IINYFYTJSA-N 0 3 357.813 2.728 20 5 FFBDHN O=c1[nH]c(N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)nc2ccc([N+](=O)[O-])cc21 ZINC000286290901 257029669 /nfs/dbraw/zinc/02/96/69/257029669.db2.gz RXPLBPGCTVARNC-SJKOYZFVSA-N 0 3 369.425 2.697 20 5 FFBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000288494312 257196121 /nfs/dbraw/zinc/19/61/21/257196121.db2.gz RSSMKLISTWWWCR-SWLSCSKDSA-N 0 3 353.369 2.772 20 5 FFBDHN O=C(CCN1CC2(CCC2)[C@H]1[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000289419094 257280013 /nfs/dbraw/zinc/28/00/13/257280013.db2.gz BSYLRKKCMAFFKJ-SJLPKXTDSA-N 0 3 359.426 2.957 20 5 FFBDHN Cc1ccc([C@@H](C)NC[C@](C)(O)CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000289661476 257292743 /nfs/dbraw/zinc/29/27/43/257292743.db2.gz XYNLPGFVSHXGSL-ACJLOTCBSA-N 0 3 367.446 2.830 20 5 FFBDHN Cn1cc(CN2CC[C@H](n3cccn3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000291351701 257399465 /nfs/dbraw/zinc/39/94/65/257399465.db2.gz XGOGSPKMRNAGCR-KRWDZBQOSA-N 0 3 352.398 2.639 20 5 FFBDHN CC(C)[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1(CO)CCC1 ZINC000292998650 257526595 /nfs/dbraw/zinc/52/65/95/257526595.db2.gz IVTNHBJFBIXTRT-MRXNPFEDSA-N 0 3 369.849 2.964 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC(CO)(c3ccccc3)CC2)c1 ZINC000293479924 257548207 /nfs/dbraw/zinc/54/82/07/257548207.db2.gz YBVFFEYWQHLFFG-LJQANCHMSA-N 0 3 356.422 2.654 20 5 FFBDHN CC[C@H](NCC1(OCCOC)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000296288623 257691189 /nfs/dbraw/zinc/69/11/89/257691189.db2.gz FILMWPOIIVQOOE-KRWDZBQOSA-N 0 3 352.431 2.848 20 5 FFBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCN(Cc2ccccc2)CC1 ZINC000301108008 258026412 /nfs/dbraw/zinc/02/64/12/258026412.db2.gz NEXABIYUCIFOCJ-UHFFFAOYSA-N 0 3 368.437 2.667 20 5 FFBDHN C[C@@H]1CCCN(CCNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000301116403 258026685 /nfs/dbraw/zinc/02/66/85/258026685.db2.gz PVVIZTYSMWCOHV-OAHLLOKOSA-N 0 3 360.458 2.975 20 5 FFBDHN COC[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000299728912 258021493 /nfs/dbraw/zinc/02/14/93/258021493.db2.gz VZKDCTQAQYCBBK-QGZVFWFLSA-N 0 3 373.409 2.909 20 5 FFBDHN Cc1cc(Nc2ncc([N+](=O)[O-])c(N)n2)cc(N2CCN(C(C)C)CC2)c1 ZINC000302712991 258108564 /nfs/dbraw/zinc/10/85/64/258108564.db2.gz LIVULAAXUVEVLK-UHFFFAOYSA-N 0 3 371.445 2.549 20 5 FFBDHN CC(C)CN1CCC[C@@H](CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301856293 258071279 /nfs/dbraw/zinc/07/12/79/258071279.db2.gz CEGWMLRQGDFASF-AWEZNQCLSA-N 0 3 369.487 2.778 20 5 FFBDHN C[C@@H]1C[C@@H](C)CN(CCCNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301883663 258072514 /nfs/dbraw/zinc/07/25/14/258072514.db2.gz LEINFLFTARUVAS-ZIAGYGMSSA-N 0 3 369.487 2.778 20 5 FFBDHN CCN1CCCC[C@@H]1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000331973202 258208297 /nfs/dbraw/zinc/20/82/97/258208297.db2.gz SROKMVAHTWEEME-MRXNPFEDSA-N 0 3 360.458 2.799 20 5 FFBDHN CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1N1CCCC1 ZINC000332071457 258212846 /nfs/dbraw/zinc/21/28/46/258212846.db2.gz CIQDZRTUEVQHLS-CABCVRRESA-N 0 3 369.874 2.900 20 5 FFBDHN C[C@H]1CN2CCCC[C@@H]2CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000332465399 258231429 /nfs/dbraw/zinc/23/14/29/258231429.db2.gz ISJOMPUJCRECGY-GXTWGEPZSA-N 0 3 366.849 2.745 20 5 FFBDHN Cc1ccc(S(=O)(=O)NCC(C)(C)N2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000064965210 506246209 /nfs/dbraw/zinc/24/62/09/506246209.db2.gz MPDNDDHQPGPPLQ-ZDUSSCGKSA-N 0 3 369.487 2.692 20 5 FFBDHN CC1CCN(c2ccc(C(=O)NCCN(C)C3CC3)cc2[N+](=O)[O-])CC1 ZINC000066924707 506696388 /nfs/dbraw/zinc/69/63/88/506696388.db2.gz KLBGXWAPTMSGAI-UHFFFAOYSA-N 0 3 360.458 2.655 20 5 FFBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000055402220 506742823 /nfs/dbraw/zinc/74/28/23/506742823.db2.gz XWTVORWYCAUNKQ-LSDHHAIUSA-N 0 3 371.441 2.631 20 5 FFBDHN CCCCNC(=O)C1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055902424 506879656 /nfs/dbraw/zinc/87/96/56/506879656.db2.gz COPKSNXBLYROOG-UHFFFAOYSA-N 0 3 363.458 2.992 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000056519607 507035258 /nfs/dbraw/zinc/03/52/58/507035258.db2.gz ZNYXUAWRUPAZGT-CHWSQXEVSA-N 0 3 350.419 2.845 20 5 FFBDHN O=C(C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1)N1CCCCC1 ZINC000046055708 507069422 /nfs/dbraw/zinc/06/94/22/507069422.db2.gz VEUGKXJXGQGKMV-UHFFFAOYSA-N 0 3 361.442 2.698 20 5 FFBDHN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@H]1CN1CCCCC1 ZINC000068133304 507123655 /nfs/dbraw/zinc/12/36/55/507123655.db2.gz DSQKCHLYYHXZCE-AWEZNQCLSA-N 0 3 362.386 2.594 20 5 FFBDHN C[C@H](CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])N(C)C1CC1 ZINC000068195858 507143996 /nfs/dbraw/zinc/14/39/96/507143996.db2.gz VDDVPDOWMFPUOC-GHMZBOCLSA-N 0 3 355.822 2.614 20 5 FFBDHN CCN(CC)C(=O)C1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000058524201 507432045 /nfs/dbraw/zinc/43/20/45/507432045.db2.gz DBVMHLQMCHEUAT-UHFFFAOYSA-N 0 3 363.458 2.944 20 5 FFBDHN C[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000026729824 507605709 /nfs/dbraw/zinc/60/57/09/507605709.db2.gz XHEPSXYRCZCZDP-CYBMUJFWSA-N 0 3 354.410 2.552 20 5 FFBDHN CN(C)Cc1ccccc1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000063653596 507756116 /nfs/dbraw/zinc/75/61/16/507756116.db2.gz WBBNAJSEZYRKTO-UHFFFAOYSA-N 0 3 357.410 2.742 20 5 FFBDHN COc1ccc(C(=O)NCCN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000089514232 507844195 /nfs/dbraw/zinc/84/41/95/507844195.db2.gz LTIZSKFHAREFPP-CQSZACIVSA-N 0 3 357.410 2.992 20 5 FFBDHN CCOc1ccc([C@H](C)NCCc2cccc(C(N)=O)c2)cc1[N+](=O)[O-] ZINC000089545828 507846547 /nfs/dbraw/zinc/84/65/47/507846547.db2.gz JFDXFUBOWODWNR-ZDUSSCGKSA-N 0 3 357.410 2.986 20 5 FFBDHN CCCc1n[nH]c(C(=O)NC[C@H](C(C)C)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000078593158 507886577 /nfs/dbraw/zinc/88/65/77/507886577.db2.gz LVUTWWIIMGDNKW-OAHLLOKOSA-N 0 3 365.478 2.757 20 5 FFBDHN CC[C@@H](NC(=O)Nc1ccn(CCN(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000078621220 507890570 /nfs/dbraw/zinc/89/05/70/507890570.db2.gz RIALJJWFFLEHHA-OAHLLOKOSA-N 0 3 360.418 2.626 20 5 FFBDHN CC(C)N(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000090519227 507925321 /nfs/dbraw/zinc/92/53/21/507925321.db2.gz JGWBYNMFYPHNPC-UHFFFAOYSA-N 0 3 360.370 2.575 20 5 FFBDHN CCCCN1CCCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000109852442 507992197 /nfs/dbraw/zinc/99/21/97/507992197.db2.gz LTURZQSVKMNCCK-OAHLLOKOSA-N 0 3 355.460 2.528 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@H](c3nncn3C3CC3)C2)cc1 ZINC000091629122 507997900 /nfs/dbraw/zinc/99/79/00/507997900.db2.gz XVIMBUMUGGURQE-AWEZNQCLSA-N 0 3 357.414 2.780 20 5 FFBDHN CC(C)c1ccc(CN(C)C2CCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000091963886 508028519 /nfs/dbraw/zinc/02/85/19/508028519.db2.gz HAVSWLGEGVWOQH-UHFFFAOYSA-N 0 3 369.487 2.574 20 5 FFBDHN CCOC(=O)CCN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000092532078 508079890 /nfs/dbraw/zinc/07/98/90/508079890.db2.gz DCEJAAPUTYHKOO-UHFFFAOYSA-N 0 3 372.425 2.913 20 5 FFBDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000081122697 508139915 /nfs/dbraw/zinc/13/99/15/508139915.db2.gz FTMSLEFOMZOKEP-SFHVURJKSA-N 0 3 353.422 2.870 20 5 FFBDHN CN1CCN(CC2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)CC1 ZINC000112076508 508148826 /nfs/dbraw/zinc/14/88/26/508148826.db2.gz VUCVUWTXPVFFNM-UHFFFAOYSA-N 0 3 369.469 2.607 20 5 FFBDHN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[C@H](N2CCCC2)C1 ZINC000112680061 508208769 /nfs/dbraw/zinc/20/87/69/508208769.db2.gz NRUMCHNDUYHXFA-LBPRGKRZSA-N 0 3 351.378 2.585 20 5 FFBDHN CN(C)CCN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCC1 ZINC000112916100 508232837 /nfs/dbraw/zinc/23/28/37/508232837.db2.gz WJUVUWJXBNUWAB-UHFFFAOYSA-N 0 3 371.441 2.727 20 5 FFBDHN O=[N+]([O-])c1ccc(NCC2(N3CCCCC3)CCOCC2)c([N+](=O)[O-])c1 ZINC000076688296 508241468 /nfs/dbraw/zinc/24/14/68/508241468.db2.gz SQGFIQKSIFEYCH-UHFFFAOYSA-N 0 3 364.402 2.950 20 5 FFBDHN O=[N+]([O-])c1ccccc1OCCN1CCC(OC[C@H]2CCCO2)CC1 ZINC000083414282 508244966 /nfs/dbraw/zinc/24/49/66/508244966.db2.gz GGANQNSPJOEABH-MRXNPFEDSA-N 0 3 350.415 2.634 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000076757174 508251374 /nfs/dbraw/zinc/25/13/74/508251374.db2.gz PEFMUNWZNDACBX-AEFFLSMTSA-N 0 3 357.410 2.521 20 5 FFBDHN C[C@@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)N1CCC[C@H](C)C1 ZINC000087103058 508336970 /nfs/dbraw/zinc/33/69/70/508336970.db2.gz UTXNTDQZZXHQOK-GJZGRUSLSA-N 0 3 360.458 2.783 20 5 FFBDHN CCCN(CCN1CCCC1)C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000410850234 512392226 /nfs/dbraw/zinc/39/22/26/512392226.db2.gz BQPLOGFCJFUGLJ-UHFFFAOYSA-N 0 3 353.394 2.691 20 5 FFBDHN COc1cc(CN(C)CCC(=O)Nc2ccccc2[N+](=O)[O-])ccc1O ZINC000156908083 508495535 /nfs/dbraw/zinc/49/55/35/508495535.db2.gz CDEVTRXQSXWARD-UHFFFAOYSA-N 0 3 359.382 2.770 20 5 FFBDHN CN(c1ccccc1)c1ccc(CN2CC[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000157071423 508518717 /nfs/dbraw/zinc/51/87/17/508518717.db2.gz DKAKDNPOTBOWCM-HNNXBMFYSA-N 0 3 354.410 2.670 20 5 FFBDHN CCOc1ccc([C@H](C)NC[C@H](C)N2CCN(CC)CC2)cc1[N+](=O)[O-] ZINC000152908465 508530262 /nfs/dbraw/zinc/53/02/62/508530262.db2.gz WAMAQRXXSDLIOY-HOTGVXAUSA-N 0 3 364.490 2.670 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NCCN(C)Cc1ccccc1 ZINC000123032215 508624822 /nfs/dbraw/zinc/62/48/22/508624822.db2.gz YKTCJNFMMZQPHB-UHFFFAOYSA-N 0 3 358.398 2.857 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)cc1SC ZINC000123207123 508652126 /nfs/dbraw/zinc/65/21/26/508652126.db2.gz SLUFCUOHQUGOLZ-NEPJUHHUSA-N 0 3 367.471 2.880 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cccnc1N1CCN(C)CC1 ZINC000158482079 508710927 /nfs/dbraw/zinc/71/09/27/508710927.db2.gz RSLXCLSVSPARSI-MRXNPFEDSA-N 0 3 369.469 2.901 20 5 FFBDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000123755704 508734006 /nfs/dbraw/zinc/73/40/06/508734006.db2.gz QLEGXODGZWGYRI-HNNXBMFYSA-N 0 3 358.398 2.710 20 5 FFBDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000123755464 508734441 /nfs/dbraw/zinc/73/44/41/508734441.db2.gz QLEGXODGZWGYRI-OAHLLOKOSA-N 0 3 358.398 2.710 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CN1Cc1ccccc1 ZINC000137431619 508756099 /nfs/dbraw/zinc/75/60/99/508756099.db2.gz YVMAOMFZVKPBQA-WFASDCNBSA-N 0 3 372.400 2.709 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c1 ZINC000137449004 508756339 /nfs/dbraw/zinc/75/63/39/508756339.db2.gz NUKCPRRANSFZRA-GOEBONIOSA-N 0 3 369.421 2.996 20 5 FFBDHN CCN(CC)[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1Cl ZINC000158942750 508772238 /nfs/dbraw/zinc/77/22/38/508772238.db2.gz CQCHTSYLCMYPGP-CYBMUJFWSA-N 0 3 365.821 2.784 20 5 FFBDHN C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2Br)CCN1C ZINC000124337499 508817224 /nfs/dbraw/zinc/81/72/24/508817224.db2.gz AZAPCUJLYPDRHG-GHMZBOCLSA-N 0 3 370.247 2.912 20 5 FFBDHN Cn1cc(CN[C@H](CO)Cc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000131544937 508947998 /nfs/dbraw/zinc/94/79/98/508947998.db2.gz LIVSRIHIIWJEFJ-SFHVURJKSA-N 0 3 366.421 2.689 20 5 FFBDHN CN(C)[C@@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000161136183 509076191 /nfs/dbraw/zinc/07/61/91/509076191.db2.gz ZUHJXMQTSAPRNL-IBGZPJMESA-N 0 3 368.437 2.965 20 5 FFBDHN O=C(NCCN1CCCCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000162086018 509172048 /nfs/dbraw/zinc/17/20/48/509172048.db2.gz SFTRSYVEMGCXNW-UHFFFAOYSA-N 0 3 356.220 2.573 20 5 FFBDHN COc1cccc(NC[C@H]2C[C@H](O)CN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000185644288 509281385 /nfs/dbraw/zinc/28/13/85/509281385.db2.gz LQSIKEJQBMTIQD-CVEARBPZSA-N 0 3 357.410 2.651 20 5 FFBDHN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCN2CCC[C@@H]2C1 ZINC000182644214 509349300 /nfs/dbraw/zinc/34/93/00/509349300.db2.gz XWOGNNRRSNPCCP-GFCCVEGCSA-N 0 3 355.847 2.647 20 5 FFBDHN CN(CC1CCN(C)CC1)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000182662721 509358254 /nfs/dbraw/zinc/35/82/54/509358254.db2.gz FXKUAMNGTNEHAK-UHFFFAOYSA-N 0 3 370.247 2.771 20 5 FFBDHN O=C(CCN1CCC([C@H]2CCCO2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000189217267 509466883 /nfs/dbraw/zinc/46/68/83/509466883.db2.gz GGOGBHGGHIGOCZ-QGZVFWFLSA-N 0 3 365.405 2.954 20 5 FFBDHN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)CCN(C)C)cc2[N+](=O)[O-])C1 ZINC000176371685 509472456 /nfs/dbraw/zinc/47/24/56/509472456.db2.gz CJPZUDPRVBVIAE-HUUCEWRRSA-N 0 3 362.474 2.711 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179511808 509487896 /nfs/dbraw/zinc/48/78/96/509487896.db2.gz QUAHFHGGTSDDRO-CYBMUJFWSA-N 0 3 357.414 2.979 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179511808 509487900 /nfs/dbraw/zinc/48/79/00/509487900.db2.gz QUAHFHGGTSDDRO-CYBMUJFWSA-N 0 3 357.414 2.979 20 5 FFBDHN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000183029281 509556031 /nfs/dbraw/zinc/55/60/31/509556031.db2.gz CLVYCIKZBKRTBV-KGLIPLIRSA-N 0 3 367.471 2.526 20 5 FFBDHN CCn1nc(C)c([N+](=O)[O-])c1NCC1(N2CCCCC2)CCOCC1 ZINC000192608676 509564790 /nfs/dbraw/zinc/56/47/90/509564790.db2.gz SXEAAWYJNDXZQC-UHFFFAOYSA-N 0 3 351.451 2.567 20 5 FFBDHN O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000264552931 509596814 /nfs/dbraw/zinc/59/68/14/509596814.db2.gz DATXVZDCXOUNBI-QGZVFWFLSA-N 0 3 372.469 2.895 20 5 FFBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1c2ccccc2C[C@@H]1O ZINC000166597314 509612434 /nfs/dbraw/zinc/61/24/34/509612434.db2.gz AKEGGKAPCXJMKN-KHDYIWLOSA-N 0 3 355.394 2.560 20 5 FFBDHN COc1ccc([C@H](CNCc2ccccc2[N+](=O)[O-])N2CCOCC2)cc1 ZINC000237338678 509627179 /nfs/dbraw/zinc/62/71/79/509627179.db2.gz VYYNWYJDVLLQAS-FQEVSTJZSA-N 0 3 371.437 2.767 20 5 FFBDHN C[C@@H](N[C@@H](C)C1CCOCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000179876155 509658313 /nfs/dbraw/zinc/65/83/13/509658313.db2.gz JADWNRQBGMZULB-WDEREUQCSA-N 0 3 355.822 2.980 20 5 FFBDHN COC(=O)c1cnc(NC[C@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000192959762 509716332 /nfs/dbraw/zinc/71/63/32/509716332.db2.gz MVLZUFSIMIZSQI-OAHLLOKOSA-N 0 3 370.409 2.710 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H](Cc2ccccc2)C2CC2)cc1 ZINC000183399505 509763338 /nfs/dbraw/zinc/76/33/38/509763338.db2.gz JRYHGUDPAQKLJC-LJQANCHMSA-N 0 3 374.462 2.979 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000268231967 509827820 /nfs/dbraw/zinc/82/78/20/509827820.db2.gz SIUUPBGPXHSAJX-ZANVPECISA-N 0 3 368.231 2.570 20 5 FFBDHN CCOC1CC(CN[C@H](C)c2cccc([N+](=O)[O-])c2)(N2CCOCC2)C1 ZINC000193404050 509900249 /nfs/dbraw/zinc/90/02/49/509900249.db2.gz ZOUMBMIRADHWSP-VNCLNFNDSA-N 0 3 363.458 2.515 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)CN1C1CC1 ZINC000177172918 509917853 /nfs/dbraw/zinc/91/78/53/509917853.db2.gz YAQPJSDDWLWLIS-ZJUUUORDSA-N 0 3 368.231 2.712 20 5 FFBDHN CC(C)[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1Cl ZINC000183704195 509935897 /nfs/dbraw/zinc/93/58/97/509935897.db2.gz QCRHAQLZYWQWSZ-BBRMVZONSA-N 0 3 352.822 2.793 20 5 FFBDHN Cc1cccc([C@@H](C)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000174105366 509949857 /nfs/dbraw/zinc/94/98/57/509949857.db2.gz ZINNFHOCMSQFKP-CQSZACIVSA-N 0 3 363.439 2.532 20 5 FFBDHN C[C@@H]1CCCCN1CCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000180531191 509969708 /nfs/dbraw/zinc/96/97/08/509969708.db2.gz CHIPZPVINPFHAW-LLVKDONJSA-N 0 3 370.247 2.962 20 5 FFBDHN COc1ccc(NC(=O)CCN2CCC[C@@H](c3cc[nH]n3)C2)c([N+](=O)[O-])c1 ZINC000193585106 509978469 /nfs/dbraw/zinc/97/84/69/509978469.db2.gz MOGOKJBQMNDMJE-CYBMUJFWSA-N 0 3 373.413 2.535 20 5 FFBDHN Cc1c(NC(=O)[C@H](C)N2C[C@@H](c3ccccc3)[C@H](N)C2)cccc1[N+](=O)[O-] ZINC000261673576 510020773 /nfs/dbraw/zinc/02/07/73/510020773.db2.gz HUBIZJKJNRFKGY-BHYGNILZSA-N 0 3 368.437 2.657 20 5 FFBDHN C[C@H](NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000245597414 510028399 /nfs/dbraw/zinc/02/83/99/510028399.db2.gz NOZHCLJBAMDXJM-RYGJVYDSSA-N 0 3 355.438 2.881 20 5 FFBDHN CC[C@H](O)CCNCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000268703699 510078401 /nfs/dbraw/zinc/07/84/01/510078401.db2.gz VVLIVHUJZMUIET-NSHDSACASA-N 0 3 366.336 2.795 20 5 FFBDHN CCOc1cccc(NC[C@@H](O)CN2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000184051088 510105718 /nfs/dbraw/zinc/10/57/18/510105718.db2.gz QCTKHDPAZRQRQR-QGZVFWFLSA-N 0 3 371.437 2.825 20 5 FFBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000180925751 510186792 /nfs/dbraw/zinc/18/67/92/510186792.db2.gz NSBVPQIAOPQFTR-UHFFFAOYSA-N 0 3 368.437 2.614 20 5 FFBDHN C[C@H]1CCCN(C(C)(C)CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000184259324 510225130 /nfs/dbraw/zinc/22/51/30/510225130.db2.gz BZPRIWUVWVLTRB-AWEZNQCLSA-N 0 3 369.487 2.525 20 5 FFBDHN O=[N+]([O-])c1ccc(NC[C@@H](O)CN2CCCCC2)c(Br)c1 ZINC000174684412 510250483 /nfs/dbraw/zinc/25/04/83/510250483.db2.gz HCGIIJBRQVKQOH-GFCCVEGCSA-N 0 3 358.236 2.616 20 5 FFBDHN COc1ccc2oc([C@H](C)NC[C@H](O)Cn3cc([N+](=O)[O-])cn3)c(C)c2c1 ZINC000184321247 510261312 /nfs/dbraw/zinc/26/13/12/510261312.db2.gz MDVIGQAYQUULTP-JSGCOSHPSA-N 0 3 374.397 2.566 20 5 FFBDHN CC(C)(C)[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(F)c1 ZINC000181074016 510268065 /nfs/dbraw/zinc/26/80/65/510268065.db2.gz XHDIPAINRPSTAC-CVEARBPZSA-N 0 3 350.394 2.668 20 5 FFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246239040 510383983 /nfs/dbraw/zinc/38/39/83/510383983.db2.gz RKUJBHQCFCHVGZ-LSDHHAIUSA-N 0 3 369.487 2.562 20 5 FFBDHN CN(CC1CCN(C)CC1)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000172496504 510754832 /nfs/dbraw/zinc/75/48/32/510754832.db2.gz WJUGYOURAOHTBB-UHFFFAOYSA-N 0 3 362.474 2.901 20 5 FFBDHN COc1ccc([C@@H](C)NC[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1F ZINC000182179169 510798353 /nfs/dbraw/zinc/79/83/53/510798353.db2.gz ZYXBAAIRZRGHSB-TZMCWYRMSA-N 0 3 364.373 2.833 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H](Nc2ccccc2)C1 ZINC000182206520 510814356 /nfs/dbraw/zinc/81/43/56/510814356.db2.gz KKHSEBDEYDQSSC-MSOLQXFVSA-N 0 3 371.437 2.911 20 5 FFBDHN Cc1nn(CCC(=O)NC[C@H](c2ccc(C)cc2)N(C)C)c(C)c1[N+](=O)[O-] ZINC000263766096 510833414 /nfs/dbraw/zinc/83/34/14/510833414.db2.gz DLOVOLHSQHUWEM-QGZVFWFLSA-N 0 3 373.457 2.526 20 5 FFBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000247310579 510856349 /nfs/dbraw/zinc/85/63/49/510856349.db2.gz HLKBCJFEBOYTGU-QMTHXVAHSA-N 0 3 370.247 2.770 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc1SC ZINC000247420715 510860218 /nfs/dbraw/zinc/86/02/18/510860218.db2.gz NZLISILUGQDXEJ-WCQYABFASA-N 0 3 367.471 2.738 20 5 FFBDHN CN(C)CCOc1cc(CNc2ncc(Cl)cc2[N+](=O)[O-])ccn1 ZINC000270548940 510904004 /nfs/dbraw/zinc/90/40/04/510904004.db2.gz ATGLJCBSYSELHR-UHFFFAOYSA-N 0 3 351.794 2.591 20 5 FFBDHN Cc1cccc(C(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)c1[N+](=O)[O-] ZINC000270932736 511029210 /nfs/dbraw/zinc/02/92/10/511029210.db2.gz QKGPPFYYRCWNNN-UHFFFAOYSA-N 0 3 374.485 2.534 20 5 FFBDHN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@@H](N2CCCC2)C1 ZINC000361581068 511069526 /nfs/dbraw/zinc/06/95/26/511069526.db2.gz GRXUSNQNFAUJAI-QGZVFWFLSA-N 0 3 372.469 2.895 20 5 FFBDHN CC(C)CN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)C1CCN(C)CC1 ZINC000279483098 511099312 /nfs/dbraw/zinc/09/93/12/511099312.db2.gz QYIWQFZEUAUWGP-UHFFFAOYSA-N 0 3 352.410 2.509 20 5 FFBDHN C[C@@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@@H]1N1CCN(C)CC1 ZINC000362077897 511128229 /nfs/dbraw/zinc/12/82/29/511128229.db2.gz KMUVLQZHZQQRQZ-PBHICJAKSA-N 0 3 366.893 2.706 20 5 FFBDHN COCCCN(C(=O)c1cc([N+](=O)[O-])cc(C)c1F)C1CCN(C)CC1 ZINC000291370197 511168554 /nfs/dbraw/zinc/16/85/54/511168554.db2.gz CWVFPEZUMOBHCN-UHFFFAOYSA-N 0 3 367.421 2.615 20 5 FFBDHN CC(=O)Nc1cccc(OCCN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000294763074 511169638 /nfs/dbraw/zinc/16/96/38/511169638.db2.gz MQIJRAIHJSQGFA-LBPRGKRZSA-N 0 3 358.398 2.865 20 5 FFBDHN COCCOC1(CNCc2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000294863378 511201551 /nfs/dbraw/zinc/20/15/51/511201551.db2.gz UBEREMOZCAEQJK-UHFFFAOYSA-N 0 3 358.822 2.550 20 5 FFBDHN COC(=O)CCn1nc(C)c(CN(C)CCc2cccc([N+](=O)[O-])c2)c1C ZINC000283020413 511202323 /nfs/dbraw/zinc/20/23/23/511202323.db2.gz MFKOXZKBSIDQDA-UHFFFAOYSA-N 0 3 374.441 2.646 20 5 FFBDHN CCc1n[nH]c(C(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000283052128 511214845 /nfs/dbraw/zinc/21/48/45/511214845.db2.gz VXNCIIMQKDUREH-ZDUSSCGKSA-N 0 3 365.821 2.566 20 5 FFBDHN Cn1cc([C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)CC23CCOCC3)cn1 ZINC000294943764 511229118 /nfs/dbraw/zinc/22/91/18/511229118.db2.gz HBJFTYCCRQWMKZ-GOSISDBHSA-N 0 3 356.426 2.725 20 5 FFBDHN Cc1nc(N2CCC[C@H](N(C)Cc3ccccn3)CC2)ncc1[N+](=O)[O-] ZINC000295044419 511262214 /nfs/dbraw/zinc/26/22/14/511262214.db2.gz OBUNIEMBBZLDLK-INIZCTEOSA-N 0 3 356.430 2.579 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](CCO)c1ccccc1 ZINC000271653783 511275984 /nfs/dbraw/zinc/27/59/84/511275984.db2.gz JUMYCSVAXNDQFN-KRWDZBQOSA-N 0 3 357.410 2.945 20 5 FFBDHN CN1CC[C@@]2(CCN(C(=O)c3cccc([N+](=O)[O-])c3Br)C2)C1 ZINC000295218978 511326371 /nfs/dbraw/zinc/32/63/71/511326371.db2.gz AWVIOTRYKHDNFQ-OAHLLOKOSA-N 0 3 368.231 2.525 20 5 FFBDHN CCOc1ccc([C@H](C)NC[C@@H]2COC3(CCOCC3)O2)cc1[N+](=O)[O-] ZINC000272076478 511423721 /nfs/dbraw/zinc/42/37/21/511423721.db2.gz VSWLLZMVPMTJSR-DZGCQCFKSA-N 0 3 366.414 2.566 20 5 FFBDHN C[C@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCN(C2CCC2)C1 ZINC000292109564 511467462 /nfs/dbraw/zinc/46/74/62/511467462.db2.gz GWXJTCIQSPCILP-AWEZNQCLSA-N 0 3 371.441 2.951 20 5 FFBDHN C[C@H](NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000295697530 511487010 /nfs/dbraw/zinc/48/70/10/511487010.db2.gz IXJHZUKYRZDBJP-JTQLQIEISA-N 0 3 357.332 2.994 20 5 FFBDHN O=C(CCN1CCOC[C@H](C2CCC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000292157528 511486997 /nfs/dbraw/zinc/48/69/97/511486997.db2.gz OFUIDWOUBKMORZ-CQSZACIVSA-N 0 3 365.405 2.811 20 5 FFBDHN CN1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C2)C1 ZINC000292311919 511547937 /nfs/dbraw/zinc/54/79/37/511547937.db2.gz SKVVPGMCDNOORA-HNNXBMFYSA-N 0 3 357.332 2.781 20 5 FFBDHN COC(=O)[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1c1ccc(O)cc1 ZINC000295946853 511565064 /nfs/dbraw/zinc/56/50/64/511565064.db2.gz GTQHATIMDZZVLX-DLBZAZTESA-N 0 3 356.378 2.689 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000363582747 511640267 /nfs/dbraw/zinc/64/02/67/511640267.db2.gz KFJDCFBVTZACGN-CYBMUJFWSA-N 0 3 373.413 2.535 20 5 FFBDHN CN(C)CC1(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCC1 ZINC000281084957 511714327 /nfs/dbraw/zinc/71/43/27/511714327.db2.gz OHHLPFMTEOOBLW-UHFFFAOYSA-N 0 3 363.461 2.755 20 5 FFBDHN C[C@H](N[C@@H]1CCN(C)[C@@H]1c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000284417806 511714934 /nfs/dbraw/zinc/71/49/34/511714934.db2.gz XRQWWNJLTSHVJB-POZUXBRTSA-N 0 3 368.437 2.957 20 5 FFBDHN O=C1N[C@H]2CCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C[C@@H]2CO1 ZINC000281143032 511736051 /nfs/dbraw/zinc/73/60/51/511736051.db2.gz DWOMDPINNCDQDB-CJNGLKHVSA-N 0 3 357.366 2.785 20 5 FFBDHN CC[C@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000303477332 511739797 /nfs/dbraw/zinc/73/97/97/511739797.db2.gz PDQIGOWMECIXFC-AWEZNQCLSA-N 0 3 369.487 2.774 20 5 FFBDHN O=C(NC1CCN(C2CC2)CC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000292997477 511800512 /nfs/dbraw/zinc/80/05/12/511800512.db2.gz HBXTYABFSZTXPM-UHFFFAOYSA-N 0 3 357.332 2.970 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000366199076 511895770 /nfs/dbraw/zinc/89/57/70/511895770.db2.gz GKZBWHACVKFNKU-GDBMZVCRSA-N 0 3 354.410 2.773 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C3CCC3)C[C@H](C)C2)c1 ZINC000293715925 512060883 /nfs/dbraw/zinc/06/08/83/512060883.db2.gz OXERXWKTKHRNKG-AWEZNQCLSA-N 0 3 361.442 2.940 20 5 FFBDHN CN(CCC(=O)Nc1cc(N)ccc1F)CCc1ccccc1[N+](=O)[O-] ZINC000285301740 512070399 /nfs/dbraw/zinc/07/03/99/512070399.db2.gz LGAUSJVEPGTYGT-UHFFFAOYSA-N 0 3 360.389 2.819 20 5 FFBDHN CC(C)(CN1CCCC1)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000411082518 512463917 /nfs/dbraw/zinc/46/39/17/512463917.db2.gz BGGCBRBVSWZEEA-UHFFFAOYSA-N 0 3 357.357 2.800 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000369708256 512565684 /nfs/dbraw/zinc/56/56/84/512565684.db2.gz AQFLDBIPRADGPC-MRXNPFEDSA-N 0 3 354.410 2.645 20 5 FFBDHN C[C@@]1(CNC(=O)c2c(N)cccc2[N+](=O)[O-])CCN(Cc2ccccc2)C1 ZINC000374162082 512686033 /nfs/dbraw/zinc/68/60/33/512686033.db2.gz LNHZWTOAZMTGNQ-FQEVSTJZSA-N 0 3 368.437 2.819 20 5 FFBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCc2c1cnn2C ZINC000374211261 512708799 /nfs/dbraw/zinc/70/87/99/512708799.db2.gz MZOSNIBJUNAPNN-OAHLLOKOSA-N 0 3 357.414 2.666 20 5 FFBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)CC[C@H]1N1CCN(C)CC1 ZINC000374314693 512761260 /nfs/dbraw/zinc/76/12/60/512761260.db2.gz XBTLZZLCGCUUEN-MAUKXSAKSA-N 0 3 369.469 2.605 20 5 FFBDHN COc1ccc(NC(=O)CCN2CCSC[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000411783214 512809247 /nfs/dbraw/zinc/80/92/47/512809247.db2.gz FNAPVHFLQGCUJX-INIZCTEOSA-N 0 3 365.455 2.759 20 5 FFBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000376567787 512877587 /nfs/dbraw/zinc/87/75/87/512877587.db2.gz AHFZDWCUEVOEAQ-DOMZBBRYSA-N 0 3 353.369 2.772 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H](Oc2ccccc2)C1 ZINC000411990258 512903572 /nfs/dbraw/zinc/90/35/72/512903572.db2.gz VPJPSPBYSVWPAL-WMZOPIPTSA-N 0 3 372.421 2.878 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C)N(C)Cc2ccccc2)n1 ZINC000390491312 512907019 /nfs/dbraw/zinc/90/70/19/512907019.db2.gz QNJHILDZBRSTLX-ZDUSSCGKSA-N 0 3 358.398 2.709 20 5 FFBDHN Cc1n[nH]c([C@H]2CCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)n1 ZINC000412046955 512929548 /nfs/dbraw/zinc/92/95/48/512929548.db2.gz SZPJZWRGUDQNDN-ZDUSSCGKSA-N 0 3 354.370 2.666 20 5 FFBDHN Cc1nc([C@H]2CCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)n[nH]1 ZINC000412046955 512929551 /nfs/dbraw/zinc/92/95/51/512929551.db2.gz SZPJZWRGUDQNDN-ZDUSSCGKSA-N 0 3 354.370 2.666 20 5 FFBDHN Cc1nnc([C@H]2CCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)[nH]1 ZINC000412046955 512929554 /nfs/dbraw/zinc/92/95/54/512929554.db2.gz SZPJZWRGUDQNDN-ZDUSSCGKSA-N 0 3 354.370 2.666 20 5 FFBDHN C[C@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000370446382 512939360 /nfs/dbraw/zinc/93/93/60/512939360.db2.gz CYYYSMVSIASOJN-MAUKXSAKSA-N 0 3 369.469 2.605 20 5 FFBDHN O=[N+]([O-])c1cc(CNCC2(O)CCN(Cc3ccccc3)CC2)cs1 ZINC000397542357 512948297 /nfs/dbraw/zinc/94/82/97/512948297.db2.gz BOQZIGZDOVILPR-UHFFFAOYSA-N 0 3 361.467 2.773 20 5 FFBDHN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H](N2CCCC2)C1 ZINC000372616825 512971136 /nfs/dbraw/zinc/97/11/36/512971136.db2.gz FJLPECHTZNHDEG-TZMCWYRMSA-N 0 3 366.849 2.745 20 5 FFBDHN CN(C)CCOc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000412226362 513003412 /nfs/dbraw/zinc/00/34/12/513003412.db2.gz GTZFQZCTFNCZAI-DLBZAZTESA-N 0 3 370.409 2.672 20 5 FFBDHN C[C@@H](CNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)N(C)C ZINC000412381949 513059992 /nfs/dbraw/zinc/05/99/92/513059992.db2.gz AXWRYJNSGIOINR-KFWWJZLASA-N 0 3 362.474 2.757 20 5 FFBDHN C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000370705134 513061773 /nfs/dbraw/zinc/06/17/73/513061773.db2.gz DZXSOFJFPAQGJB-YVNZRUEQSA-N 0 3 358.486 2.566 20 5 FFBDHN C[C@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)N1CCC[C@H](C)C1 ZINC000445887809 513139134 /nfs/dbraw/zinc/13/91/34/513139134.db2.gz UTXNTDQZZXHQOK-LSDHHAIUSA-N 0 3 360.458 2.783 20 5 FFBDHN CC(C)[C@@H](CC(F)(F)F)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000445903361 513143373 /nfs/dbraw/zinc/14/33/73/513143373.db2.gz LANCQLDUPXTXHR-CYBMUJFWSA-N 0 3 368.377 2.935 20 5 FFBDHN COc1cc(OCCN(C)C)ccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000412567668 513167220 /nfs/dbraw/zinc/16/72/20/513167220.db2.gz ZWWJIPSHUFNZEA-UHFFFAOYSA-N 0 3 359.382 2.796 20 5 FFBDHN C[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CC[C@H]1N1CCN(C)CC1 ZINC000450404050 513179696 /nfs/dbraw/zinc/17/96/96/513179696.db2.gz BTJDDZVJDVYPRB-DNVCBOLYSA-N 0 3 369.469 2.605 20 5 FFBDHN Cc1cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)n(C2CCN(C)CC2)n1 ZINC000446210610 513210507 /nfs/dbraw/zinc/21/05/07/513210507.db2.gz MDAFWTKJTBLGIJ-UHFFFAOYSA-N 0 3 371.441 2.938 20 5 FFBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000428997150 513246931 /nfs/dbraw/zinc/24/69/31/513246931.db2.gz RYVYKWQUXBKSLB-FSZRXZPDSA-N 0 3 360.458 2.584 20 5 FFBDHN CCc1ccccc1[C@H](N)CNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000415436512 513260881 /nfs/dbraw/zinc/26/08/81/513260881.db2.gz JYUWXJUTTLPZKZ-OAHLLOKOSA-N 0 3 358.398 2.987 20 5 FFBDHN C[C@]1(c2ccccc2)CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000446724218 513323819 /nfs/dbraw/zinc/32/38/19/513323819.db2.gz YOYRUSUELMFLGY-ICSRJNTNSA-N 0 3 356.422 2.998 20 5 FFBDHN CCc1cc(N2C[C@@H]3CCN(C)[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450775660 513334996 /nfs/dbraw/zinc/33/49/96/513334996.db2.gz BLJSOKXCDKDSIN-WMLDXEAASA-N 0 3 353.426 2.755 20 5 FFBDHN Cc1c(NC(=O)[C@H](C)N[C@@H]2Cc3cccc(O)c3C2)cccc1[N+](=O)[O-] ZINC000429312626 513336017 /nfs/dbraw/zinc/33/60/17/513336017.db2.gz PJIGRJNKGOWWMB-GXTWGEPZSA-N 0 3 355.394 2.693 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000450864453 513373254 /nfs/dbraw/zinc/37/32/54/513373254.db2.gz QZKSDYJZGKSZCO-XWIAVFTESA-N 0 3 359.426 2.779 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCCNCc1cccnc1 ZINC000415769685 513417899 /nfs/dbraw/zinc/41/78/99/513417899.db2.gz XOINMBLPTROPPA-UHFFFAOYSA-N 0 3 357.414 2.854 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000421787626 513427556 /nfs/dbraw/zinc/42/75/56/513427556.db2.gz QCPFEFNLGKJRHQ-HZPDHXFCSA-N 0 3 363.458 2.831 20 5 FFBDHN CNCc1cccc(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000415931606 513486394 /nfs/dbraw/zinc/48/63/94/513486394.db2.gz MKOVNMHENQJUEA-UHFFFAOYSA-N 0 3 356.382 2.741 20 5 FFBDHN O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1F)CCNC2 ZINC000415953113 513496903 /nfs/dbraw/zinc/49/69/03/513496903.db2.gz IDCVHMXZOCLAHR-UHFFFAOYSA-N 0 3 373.388 2.613 20 5 FFBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1F)CCNC2 ZINC000415956691 513498789 /nfs/dbraw/zinc/49/87/89/513498789.db2.gz OMENSXQAPDXMJB-UHFFFAOYSA-N 0 3 358.373 2.744 20 5 FFBDHN COc1ccc(COC[C@@H](O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000451101807 513521819 /nfs/dbraw/zinc/52/18/19/513521819.db2.gz AGCMDYRRRMHXKA-KSSFIOAISA-N 0 3 360.410 2.832 20 5 FFBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CC[C@@H]1N1CCN(C)CC1 ZINC000413211163 513523792 /nfs/dbraw/zinc/52/37/92/513523792.db2.gz HMEPURXIFSMFOW-RDJZCZTQSA-N 0 3 369.469 2.605 20 5 FFBDHN O=[N+]([O-])c1ccc2[nH]c(=NCC3CCN(c4ccncc4)CC3)[nH]c2c1 ZINC000447688094 513543325 /nfs/dbraw/zinc/54/33/25/513543325.db2.gz FPXTZULKMIHYAH-UHFFFAOYSA-N 0 3 352.398 2.617 20 5 FFBDHN CC(C)(NC(=O)NCc1ccc2c(c1)CNC2)c1ccccc1[N+](=O)[O-] ZINC000418587899 513568247 /nfs/dbraw/zinc/56/82/47/513568247.db2.gz RLNBEVCXFUGBCH-UHFFFAOYSA-N 0 3 354.410 2.933 20 5 FFBDHN Cc1cc(OCC(=O)Nc2cccc(OCCN(C)C)c2)ccc1[N+](=O)[O-] ZINC000430395009 513643741 /nfs/dbraw/zinc/64/37/41/513643741.db2.gz DHEYDOZEOKWDSV-UHFFFAOYSA-N 0 3 373.409 2.861 20 5 FFBDHN COc1ccc(OCCN2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000451339695 513687029 /nfs/dbraw/zinc/68/70/29/513687029.db2.gz IWEKXYVQTYSJTD-LZLYRXPVSA-N 0 3 364.442 2.998 20 5 FFBDHN CC1CCN(c2ccc(C(=O)NCC3(N(C)C)CC3)cc2[N+](=O)[O-])CC1 ZINC000416290127 513693655 /nfs/dbraw/zinc/69/36/55/513693655.db2.gz LFXYDHAQBPLQQP-UHFFFAOYSA-N 0 3 360.458 2.655 20 5 FFBDHN O=C1CCN1c1cccc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000442827181 513788239 /nfs/dbraw/zinc/78/82/39/513788239.db2.gz YRIUANKKLYPLFN-IRXDYDNUSA-N 0 3 369.425 2.802 20 5 FFBDHN CO[C@@H]1[C@@H](C)[C@H](NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000451499105 513790016 /nfs/dbraw/zinc/79/00/16/513790016.db2.gz LMZCWCFTWHJHDR-ULKVUYOBSA-N 0 3 355.822 2.836 20 5 FFBDHN O=C(CN[C@@H]([C@@H](CO)C1CC1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451606914 513862466 /nfs/dbraw/zinc/86/24/66/513862466.db2.gz MGNYHAOOOVKLEX-SUMWQHHRSA-N 0 3 367.833 2.573 20 5 FFBDHN CC(C)C[C@@H](CN1CCCC1)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000451653877 513891520 /nfs/dbraw/zinc/89/15/20/513891520.db2.gz UBIHVBGCDZQDKS-INIZCTEOSA-N 0 3 369.487 2.525 20 5 FFBDHN COc1cnccc1N1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000431425816 513896373 /nfs/dbraw/zinc/89/63/73/513896373.db2.gz HCSKWVZGQPKBSW-UHFFFAOYSA-N 0 3 371.397 2.661 20 5 FFBDHN CN(C)[C@]1(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000431687409 513969136 /nfs/dbraw/zinc/96/91/36/513969136.db2.gz XHMDJIBMVHQZGU-KRWDZBQOSA-N 0 3 366.487 2.566 20 5 FFBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000449121174 514079883 /nfs/dbraw/zinc/07/98/83/514079883.db2.gz GHYYQLUAWMQHNZ-YJBOKZPZSA-N 0 3 355.438 2.815 20 5 FFBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCNCC2)cn1 ZINC000423242624 514091163 /nfs/dbraw/zinc/09/11/63/514091163.db2.gz ZCEWCRQNEKDODX-HNNXBMFYSA-N 0 3 355.442 2.833 20 5 FFBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCCS(=O)(=O)c1ccc(F)cc1 ZINC000449195330 514107563 /nfs/dbraw/zinc/10/75/63/514107563.db2.gz UWTDRXCOCWZOAJ-CYBMUJFWSA-N 0 3 366.414 2.728 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000427095924 514114855 /nfs/dbraw/zinc/11/48/55/514114855.db2.gz ZALMWWCCLFCZDZ-GDBMZVCRSA-N 0 3 369.421 2.996 20 5 FFBDHN COC(=O)[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000452005158 514129180 /nfs/dbraw/zinc/12/91/80/514129180.db2.gz LQKWGCLBVUYQAA-IRXDYDNUSA-N 0 3 370.405 2.862 20 5 FFBDHN CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCN(C2CC2)C1 ZINC000437289582 514132881 /nfs/dbraw/zinc/13/28/81/514132881.db2.gz QWAGYKHRRRGRRS-ZDUSSCGKSA-N 0 3 357.332 2.922 20 5 FFBDHN COC(=O)[C@@H]1CSCCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000414580274 514191317 /nfs/dbraw/zinc/19/13/17/514191317.db2.gz JPLRHBRIYBSMRA-ODDCISTRSA-N 0 3 350.440 2.836 20 5 FFBDHN COC(=O)[C@H]1CSCCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000414580276 514192046 /nfs/dbraw/zinc/19/20/46/514192046.db2.gz JPLRHBRIYBSMRA-XETPBLJFSA-N 0 3 350.440 2.836 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@H]3CCCCN3CCO)o2)c1 ZINC000449394726 514193649 /nfs/dbraw/zinc/19/36/49/514193649.db2.gz OOOPSWRHCKCCNU-QGZVFWFLSA-N 0 3 359.426 2.791 20 5 FFBDHN C[C@H]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000420604076 514197414 /nfs/dbraw/zinc/19/74/14/514197414.db2.gz QZJOZZLUKOXTQG-HNNXBMFYSA-N 0 3 368.437 2.795 20 5 FFBDHN C[C@H]1C[C@H]1N1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000452120848 514205667 /nfs/dbraw/zinc/20/56/67/514205667.db2.gz JNTUOKHUXPMVJV-RLFYNMQTSA-N 0 3 373.453 2.746 20 5 FFBDHN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCN(C2CC2)C1 ZINC000452171072 514230407 /nfs/dbraw/zinc/23/04/07/514230407.db2.gz JSPBFZABEANDPR-ZDUSSCGKSA-N 0 3 354.410 2.699 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H]1CCCS(=O)(=O)C1)CCCC2 ZINC000417331613 514298122 /nfs/dbraw/zinc/29/81/22/514298122.db2.gz MOWWACYZSMBJAO-GUYCJALGSA-N 0 3 352.456 2.777 20 5 FFBDHN C[C@H]1CN(CCCNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CCCO1 ZINC000432880947 514311802 /nfs/dbraw/zinc/31/18/02/514311802.db2.gz VPUDIYMMGCYRLG-INIZCTEOSA-N 0 3 370.453 2.992 20 5 FFBDHN CN(C[C@H]1CCCN1C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000420830615 514324137 /nfs/dbraw/zinc/32/41/37/514324137.db2.gz AMYDOKYTAAJIDZ-CYBMUJFWSA-N 0 3 374.363 2.849 20 5 FFBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000424021017 514345178 /nfs/dbraw/zinc/34/51/78/514345178.db2.gz AKWPGDDBUAYTPR-DZGCQCFKSA-N 0 3 373.384 2.700 20 5 FFBDHN Cn1ccnc1[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000449774709 514349547 /nfs/dbraw/zinc/34/95/47/514349547.db2.gz PFAULXSKNWJKOS-WFASDCNBSA-N 0 3 350.806 2.992 20 5 FFBDHN N[C@@H]1Cc2ccccc2N(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000424074173 514370118 /nfs/dbraw/zinc/37/01/18/514370118.db2.gz JMBFRPPZWFWPQZ-CQSZACIVSA-N 0 3 352.394 2.699 20 5 FFBDHN O=C(NCCc1ccccc1[N+](=O)[O-])N1CCN(C2CCCCC2)CC1 ZINC000470623999 514553338 /nfs/dbraw/zinc/55/33/38/514553338.db2.gz XNXCFJFFCIRXQJ-UHFFFAOYSA-N 0 3 360.458 2.797 20 5 FFBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000479624160 514661317 /nfs/dbraw/zinc/66/13/17/514661317.db2.gz QTTGTZNDKHWILD-AWEZNQCLSA-N 0 3 371.441 2.583 20 5 FFBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCN(C2CCCC2)CC1 ZINC000502934503 514847914 /nfs/dbraw/zinc/84/79/14/514847914.db2.gz MJQUTZMYGLYLLL-UHFFFAOYSA-N 0 3 360.458 2.874 20 5 FFBDHN CNc1nc(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)ccc1[N+](=O)[O-] ZINC000456025432 514910684 /nfs/dbraw/zinc/91/06/84/514910684.db2.gz MIGNXTKBQYQXDB-GUYCJALGSA-N 0 3 371.441 2.761 20 5 FFBDHN CC(C)N(CCN(C)C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000498487816 514926144 /nfs/dbraw/zinc/92/61/44/514926144.db2.gz VTQVHBVICXIOLA-UHFFFAOYSA-N 0 3 356.854 2.772 20 5 FFBDHN C[C@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])CN1CCCC1 ZINC000480404896 514944283 /nfs/dbraw/zinc/94/42/83/514944283.db2.gz QQQMXBFUNJGDRG-CQSZACIVSA-N 0 3 371.441 2.703 20 5 FFBDHN C[C@@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])CN1CCCC1 ZINC000480404895 514944864 /nfs/dbraw/zinc/94/48/64/514944864.db2.gz QQQMXBFUNJGDRG-AWEZNQCLSA-N 0 3 371.441 2.703 20 5 FFBDHN CN(C)Cc1ccccc1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000498585243 514986152 /nfs/dbraw/zinc/98/61/52/514986152.db2.gz WAIXKVONSOMGEY-UHFFFAOYSA-N 0 3 368.437 2.619 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CC[NH+](C)C)C(C)(C)C)c1C ZINC000480968226 515154117 /nfs/dbraw/zinc/15/41/17/515154117.db2.gz ZOTRPCKMLIREPC-HNNXBMFYSA-N 0 3 371.503 2.856 20 5 FFBDHN CN(C(=O)c1ccc([N+](=O)[O-])n1C)C1CCN(Cc2ccccc2)CC1 ZINC000499508646 515352205 /nfs/dbraw/zinc/35/22/05/515352205.db2.gz BDRUIPRDXIUISC-UHFFFAOYSA-N 0 3 356.426 2.670 20 5 FFBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)CCS(C)(=O)=O ZINC000504900187 515404826 /nfs/dbraw/zinc/40/48/26/515404826.db2.gz STRFHICRCOSIQX-STQMWFEESA-N 0 3 360.501 2.878 20 5 FFBDHN C[C@@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])CCN1C1CCN(C)CC1 ZINC000492175429 515510305 /nfs/dbraw/zinc/51/03/05/515510305.db2.gz JGDXMRNZDPNPHQ-CQSZACIVSA-N 0 3 366.893 2.849 20 5 FFBDHN CCc1n[nH]c(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)c1[N+](=O)[O-] ZINC000510526480 515569465 /nfs/dbraw/zinc/56/94/65/515569465.db2.gz STLIDIBYAUQEKH-LRDDRELGSA-N 0 3 359.430 2.610 20 5 FFBDHN Cc1cc(N2CC[C@H]3CCN(C)C[C@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000486670462 515588840 /nfs/dbraw/zinc/58/88/40/515588840.db2.gz KLWVJWZQFLADNW-RHSMWYFYSA-N 0 3 353.426 2.891 20 5 FFBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000457085472 515638950 /nfs/dbraw/zinc/63/89/50/515638950.db2.gz HMTLROHPKWJDDX-GFCCVEGCSA-N 0 3 357.357 2.751 20 5 FFBDHN CC(C)N1CC[C@H](N(C)C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000457102723 515649419 /nfs/dbraw/zinc/64/94/19/515649419.db2.gz AHPCYGKCXZDWTM-AWEZNQCLSA-N 0 3 369.849 2.958 20 5 FFBDHN CC(C)(CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])CN1CCCC1 ZINC000478055120 515684839 /nfs/dbraw/zinc/68/48/39/515684839.db2.gz TYXDTIVMDXHXKI-UHFFFAOYSA-N 0 3 355.460 2.532 20 5 FFBDHN CCN1CCN([C@@H](C)CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000486934834 515689354 /nfs/dbraw/zinc/68/93/54/515689354.db2.gz KFVZZYOTYQHCII-LBPRGKRZSA-N 0 3 358.389 2.634 20 5 FFBDHN COc1cccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000494036222 515716396 /nfs/dbraw/zinc/71/63/96/515716396.db2.gz DEZNCQOWQQNQJD-WMLDXEAASA-N 0 3 369.421 2.996 20 5 FFBDHN O=[N+]([O-])c1ccc(CN[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c(F)c1 ZINC000478387039 515802719 /nfs/dbraw/zinc/80/27/19/515802719.db2.gz QXFLKTQZQMAGTI-XLIONFOSSA-N 0 3 373.428 2.707 20 5 FFBDHN CCC(CC)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)N(C)C ZINC000473951252 515815149 /nfs/dbraw/zinc/81/51/49/515815149.db2.gz NAHSFGJWAZRFQD-MRXNPFEDSA-N 0 3 357.476 2.548 20 5 FFBDHN CCOc1ccc([C@@H](C)NCCN2CCO[C@@H](CC)C2)cc1[N+](=O)[O-] ZINC000494511716 515866087 /nfs/dbraw/zinc/86/60/87/515866087.db2.gz HMPFRBGQIJAAIA-ZBFHGGJFSA-N 0 3 351.447 2.755 20 5 FFBDHN Cc1cnc(N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC000474148869 515906094 /nfs/dbraw/zinc/90/60/94/515906094.db2.gz YCOSAJJHSDUPBV-IRXDYDNUSA-N 0 3 356.426 2.593 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000483115963 515935063 /nfs/dbraw/zinc/93/50/63/515935063.db2.gz DMXIYHUAFHIBFI-QAPCUYQASA-N 0 3 360.385 2.963 20 5 FFBDHN C[C@H]1CCN(C)CCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501085908 515973286 /nfs/dbraw/zinc/97/32/86/515973286.db2.gz PBNREYXRSXTSGH-JTQLQIEISA-N 0 3 371.235 2.915 20 5 FFBDHN C[C@H](NCCCCN1C(=O)NC2(CCCC2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000478910802 516005433 /nfs/dbraw/zinc/00/54/33/516005433.db2.gz NPBQWHWYXNEAEQ-AWEZNQCLSA-N 0 3 374.441 2.890 20 5 FFBDHN COC(=O)COc1ccc(CN[C@H]2C[C@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000474369653 516015042 /nfs/dbraw/zinc/01/50/42/516015042.db2.gz JEKNYEBIMNDBBP-SJORKVTESA-N 0 3 370.405 2.867 20 5 FFBDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000464937346 516020734 /nfs/dbraw/zinc/02/07/34/516020734.db2.gz RIGUEYAQFFSTLV-QGZVFWFLSA-N 0 3 370.453 2.918 20 5 FFBDHN COC(=O)[C@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1C ZINC000469997511 516067614 /nfs/dbraw/zinc/06/76/14/516067614.db2.gz ZYKKEKUDSOQWOE-WFASDCNBSA-N 0 3 359.382 2.676 20 5 FFBDHN C[C@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000488093076 516114831 /nfs/dbraw/zinc/11/48/31/516114831.db2.gz GCEAHFFWXAHQML-MAUKXSAKSA-N 0 3 369.469 2.605 20 5 FFBDHN C[C@@H](NCCCN1C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000507254809 516143021 /nfs/dbraw/zinc/14/30/21/516143021.db2.gz XIOPAKLGQSKIMG-CYBMUJFWSA-N 0 3 353.378 2.932 20 5 FFBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@H]1CCCCN1C1CC1 ZINC000470163024 516157103 /nfs/dbraw/zinc/15/71/03/516157103.db2.gz IISRYBDNEYOPFX-QGZVFWFLSA-N 0 3 356.426 2.683 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000507295172 516161523 /nfs/dbraw/zinc/16/15/23/516161523.db2.gz LCHNKMISOBNGTJ-CYBMUJFWSA-N 0 3 369.487 2.692 20 5 FFBDHN C[C@H]1CSC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000512204771 516195718 /nfs/dbraw/zinc/19/57/18/516195718.db2.gz VPBSWEDTMZJGQL-UFBFGSQYSA-N 0 3 374.260 2.637 20 5 FFBDHN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC1CCN(C2CC2)CC1 ZINC000483861397 516228331 /nfs/dbraw/zinc/22/83/31/516228331.db2.gz XSKPROOEQYUNLJ-UHFFFAOYSA-N 0 3 366.849 2.717 20 5 FFBDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000465707896 516234117 /nfs/dbraw/zinc/23/41/17/516234117.db2.gz LGTQBODUFBBOHX-SFHVURJKSA-N 0 3 370.453 2.609 20 5 FFBDHN C[C@@H](c1ccccc1)N1CC[C@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000561153618 516411844 /nfs/dbraw/zinc/41/18/44/516411844.db2.gz FPRUCWBJWZQGDK-ZFWWWQNUSA-N 0 3 354.410 2.941 20 5 FFBDHN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NCc2ccccc2[N+](=O)[O-])s1 ZINC000513087457 516468032 /nfs/dbraw/zinc/46/80/32/516468032.db2.gz AIROSEHPAWLNRV-GHMZBOCLSA-N 0 3 363.443 2.762 20 5 FFBDHN COc1ccc(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000543926666 516499990 /nfs/dbraw/zinc/49/99/90/516499990.db2.gz OOENRKRYPYCDPY-OAHLLOKOSA-N 0 3 370.409 2.849 20 5 FFBDHN CC(C)N(C)CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000523620509 516522183 /nfs/dbraw/zinc/52/21/83/516522183.db2.gz BPLDGRUALTWZQN-UHFFFAOYSA-N 0 3 351.450 2.611 20 5 FFBDHN COc1ccc(OCCNC2(c3ccc4c(c3)OCO4)CC2)c([N+](=O)[O-])c1 ZINC000540428974 516550679 /nfs/dbraw/zinc/55/06/79/516550679.db2.gz BFXFPQYQGOVIJA-UHFFFAOYSA-N 0 3 372.377 2.990 20 5 FFBDHN Cn1cc(CNCc2ccccc2CO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000540573551 516625168 /nfs/dbraw/zinc/62/51/68/516625168.db2.gz YITFCYXDODKGDQ-UHFFFAOYSA-N 0 3 352.394 2.777 20 5 FFBDHN CN(CCN1CCN(Cc2ccccc2[N+](=O)[O-])CC1)Cc1ccccc1 ZINC000513460619 516633826 /nfs/dbraw/zinc/63/38/26/516633826.db2.gz GVTFEGLRUFMKSM-UHFFFAOYSA-N 0 3 368.481 2.844 20 5 FFBDHN C[C@@H](CCN1C(=O)c2ccccc2C1=O)NCc1ccccc1[N+](=O)[O-] ZINC000513698341 516722971 /nfs/dbraw/zinc/72/29/71/516722971.db2.gz ZMUJBRAAZHOUIQ-ZDUSSCGKSA-N 0 3 353.378 2.759 20 5 FFBDHN Cc1c(Br)c(N(C)[C@H]2CCN(C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000544393286 516740099 /nfs/dbraw/zinc/74/00/99/516740099.db2.gz FNFIUCLANFGYRZ-ONGXEEELSA-N 0 3 357.252 2.837 20 5 FFBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H](C)C1 ZINC000561760652 516754695 /nfs/dbraw/zinc/75/46/95/516754695.db2.gz IGDWIAYLRLJGFQ-OGHNNQOOSA-N 0 3 356.426 2.878 20 5 FFBDHN CC[C@@H](COC)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000558485814 516773478 /nfs/dbraw/zinc/77/34/78/516773478.db2.gz KBKWKSSFEWCCND-NSHDSACASA-N 0 3 364.183 2.714 20 5 FFBDHN CCN1CCC[C@@H]1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000518883343 516807372 /nfs/dbraw/zinc/80/73/72/516807372.db2.gz FKDGRCLEWAVVKL-WCQYABFASA-N 0 3 355.822 2.616 20 5 FFBDHN O=C(CCNC[C@@H](c1ccco1)N1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000558573332 516814595 /nfs/dbraw/zinc/81/45/95/516814595.db2.gz ATOOMCRKYMYADO-KRWDZBQOSA-N 0 3 372.425 2.943 20 5 FFBDHN CN(C)CCN(Cc1ccco1)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000519025573 516858056 /nfs/dbraw/zinc/85/80/56/516858056.db2.gz VGANNVFXMIOSIL-UHFFFAOYSA-N 0 3 367.352 2.599 20 5 FFBDHN COc1ccc([C@H](CN(C)C)NC(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC000551792429 516873515 /nfs/dbraw/zinc/87/35/15/516873515.db2.gz KSNNIYBIQOGCNE-SFHVURJKSA-N 0 3 357.410 2.945 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(NCCCN2CCN(c3ccncc3)CC2)c1 ZINC000525193200 516954431 /nfs/dbraw/zinc/95/44/31/516954431.db2.gz SAWXWFJOQSTLPI-UHFFFAOYSA-N 0 3 371.441 2.623 20 5 FFBDHN O=[N+]([O-])c1ccc(OC2CCN(CCOC[C@H]3CCCO3)CC2)cc1 ZINC000525282932 516992100 /nfs/dbraw/zinc/99/21/00/516992100.db2.gz MXVVGJVYSXVHSF-GOSISDBHSA-N 0 3 350.415 2.634 20 5 FFBDHN C[C@H]1CCCN(CCN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000552254472 517164491 /nfs/dbraw/zinc/16/44/91/517164491.db2.gz GHSOOFHKVVSOIX-MAUKXSAKSA-N 0 3 357.458 2.739 20 5 FFBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H](CO)Cc2ccco2)c1 ZINC000532866284 517175466 /nfs/dbraw/zinc/17/54/66/517175466.db2.gz HYEMLVRZOPIFOA-LLVKDONJSA-N 0 3 356.325 2.730 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CCN(C3CCCC3)C2)c1 ZINC000541821587 517232487 /nfs/dbraw/zinc/23/24/87/517232487.db2.gz UHRIUMDNCMMCFE-CQSZACIVSA-N 0 3 367.471 2.507 20 5 FFBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000559467636 517271398 /nfs/dbraw/zinc/27/13/98/517271398.db2.gz SGJRPMLTJQVSGL-RTBURBONSA-N 0 3 364.442 2.792 20 5 FFBDHN C[C@@H]1CCN(C)CCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000556187826 517309718 /nfs/dbraw/zinc/30/97/18/517309718.db2.gz RKEJYJQMXNSDGE-SNVBAGLBSA-N 0 3 358.345 2.754 20 5 FFBDHN CCOc1ccc(CN(C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000542210640 517439188 /nfs/dbraw/zinc/43/91/88/517439188.db2.gz VTQLKRIHYBNZSX-INIZCTEOSA-N 0 3 360.410 2.865 20 5 FFBDHN C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H](c1ccccc1)N(C)C ZINC000546024243 517498008 /nfs/dbraw/zinc/49/80/08/517498008.db2.gz MWFNMQPKDAVYRI-SGTLLEGYSA-N 0 3 371.393 2.745 20 5 FFBDHN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCN(CC2CCCCC2)CC1 ZINC000520775687 517510601 /nfs/dbraw/zinc/51/06/01/517510601.db2.gz TXEATBVANBYFPD-UHFFFAOYSA-N 0 3 361.442 2.698 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000542404959 517543278 /nfs/dbraw/zinc/54/32/78/517543278.db2.gz CQCAWXXSPBUPSW-GWCFXTLKSA-N 0 3 369.874 2.939 20 5 FFBDHN COc1ccc2c(c1)OC[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000562990947 517563558 /nfs/dbraw/zinc/56/35/58/517563558.db2.gz ITMDSOLOYOGDJM-CQSZACIVSA-N 0 3 371.393 2.525 20 5 FFBDHN Cc1cc(N2C[C@H](N3CCOCC3)C[C@@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000553264229 517611126 /nfs/dbraw/zinc/61/11/26/517611126.db2.gz ILTWQBYCSMPYHP-GOEBONIOSA-N 0 3 356.426 2.751 20 5 FFBDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000560250764 517658131 /nfs/dbraw/zinc/65/81/31/517658131.db2.gz PWWBIVKWUBFECQ-QGZVFWFLSA-N 0 3 357.410 2.945 20 5 FFBDHN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCCN(C)C3CC3)cc2[N+](=O)[O-])C1 ZINC000521408254 517717785 /nfs/dbraw/zinc/71/77/85/517717785.db2.gz AZUNICVBHTWANF-GASCZTMLSA-N 0 3 374.485 2.901 20 5 FFBDHN CCOc1cc(N2CCN(C[C@@H]3CCCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000563220384 517748467 /nfs/dbraw/zinc/74/84/67/517748467.db2.gz MGUZNOWUPIQAED-MAUKXSAKSA-N 0 3 363.458 2.667 20 5 FFBDHN O=C1C[C@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CN1C1CC1 ZINC000521632171 517803808 /nfs/dbraw/zinc/80/38/08/517803808.db2.gz VDGMGSIKMCQGHT-CYBMUJFWSA-N 0 3 355.394 2.955 20 5 FFBDHN COc1ccc(NC(=O)NC[C@@H](C)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000542959610 517838873 /nfs/dbraw/zinc/83/88/73/517838873.db2.gz VIOMGELOSSVDPG-CYBMUJFWSA-N 0 3 350.419 2.845 20 5 FFBDHN O=c1cccc2n1C[C@H]1C[C@@H]2CN([C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000517173620 518049198 /nfs/dbraw/zinc/04/91/98/518049198.db2.gz YNUOLDHMBAHOFF-IYOUNJFTSA-N 0 3 351.406 2.863 20 5 FFBDHN Cc1cc(NC(=O)NCc2cccc([N+](=O)[O-])c2)n(C2CCN(C)CC2)n1 ZINC000530950465 518066247 /nfs/dbraw/zinc/06/62/47/518066247.db2.gz AIPASOMWIKQGIC-UHFFFAOYSA-N 0 3 372.429 2.688 20 5 FFBDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534964996 518101147 /nfs/dbraw/zinc/10/11/47/518101147.db2.gz IBIBIDBSTAXRDQ-HNNXBMFYSA-N 0 3 366.421 2.979 20 5 FFBDHN CN(C)CCN(Cc1ccco1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534982722 518107577 /nfs/dbraw/zinc/10/75/77/518107577.db2.gz NPCOPJXTQKOBKE-UHFFFAOYSA-N 0 3 356.382 2.873 20 5 FFBDHN Cc1ccccc1CN1CCC(NC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000517380067 518133903 /nfs/dbraw/zinc/13/39/03/518133903.db2.gz MESBPLMYILVKOI-UHFFFAOYSA-N 0 3 356.426 2.636 20 5 FFBDHN COC1CCN(C(C)(C)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000517407561 518141038 /nfs/dbraw/zinc/14/10/38/518141038.db2.gz XMGXISSWRMHOHV-UHFFFAOYSA-N 0 3 350.419 2.606 20 5 FFBDHN C[C@@H](NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1=CCN(C)CC1 ZINC000564076631 518296731 /nfs/dbraw/zinc/29/67/31/518296731.db2.gz MSQPKWURFSGOKA-CYBMUJFWSA-N 0 3 371.441 2.568 20 5 FFBDHN CC(C)[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1(CO)CCC1 ZINC000570062611 518424593 /nfs/dbraw/zinc/42/45/93/518424593.db2.gz QLGGCIADKDICIF-INIZCTEOSA-N 0 3 369.849 2.964 20 5 FFBDHN CO[C@@H](C)[C@@H](C)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000567318648 518461309 /nfs/dbraw/zinc/46/13/09/518461309.db2.gz SHSZARIFKBHESJ-BBBLOLIVSA-N 0 3 363.336 2.954 20 5 FFBDHN CN(C)[C@@H](CNCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000576293023 518521072 /nfs/dbraw/zinc/52/10/72/518521072.db2.gz FDGRWCWTADEZRI-INIZCTEOSA-N 0 3 362.455 2.877 20 5 FFBDHN Cc1ccc(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)cc1[N+](=O)[O-] ZINC000576366479 518558626 /nfs/dbraw/zinc/55/86/26/518558626.db2.gz AEWDORYLROYTCM-KRWDZBQOSA-N 0 3 355.394 2.722 20 5 FFBDHN CCOc1cc(C)ccc1CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567683496 518652878 /nfs/dbraw/zinc/65/28/78/518652878.db2.gz OXODDEJWBPYCQZ-MRXNPFEDSA-N 0 3 360.410 2.831 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCC2(Cc3ccccc3)CC2)cc1 ZINC000564852132 518654293 /nfs/dbraw/zinc/65/42/93/518654293.db2.gz KAYSLVCODJRYCW-UHFFFAOYSA-N 0 3 374.462 2.981 20 5 FFBDHN COc1ccc(COC[C@@H](O)CNCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000564863129 518659825 /nfs/dbraw/zinc/65/98/25/518659825.db2.gz HAELPXBWUDVGAH-KRWDZBQOSA-N 0 3 360.410 2.579 20 5 FFBDHN CCOc1ccc(C(=O)NC[C@H]2NCCc3ccccc32)cc1[N+](=O)[O-] ZINC000576696581 518717860 /nfs/dbraw/zinc/71/78/60/518717860.db2.gz UZAJRPZEDIFNDS-MRXNPFEDSA-N 0 3 355.394 2.610 20 5 FFBDHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@H]1CN1CCCC1 ZINC000577161506 518943952 /nfs/dbraw/zinc/94/39/52/518943952.db2.gz IRNYTKDHRMLOTB-LBPRGKRZSA-N 0 3 353.369 2.502 20 5 FFBDHN C[C@H](O)C[C@H]1CCCCCN1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589187590 518944177 /nfs/dbraw/zinc/94/41/77/518944177.db2.gz BCCPRWHRCSTQOU-DZGCQCFKSA-N 0 3 350.415 2.882 20 5 FFBDHN CN(C)C1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)Cc2ccccc2C1 ZINC000582874178 518962182 /nfs/dbraw/zinc/96/21/82/518962182.db2.gz HILMBYPLBDPINI-UHFFFAOYSA-N 0 3 372.400 2.955 20 5 FFBDHN CSC1(CNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CCN(C)CC1 ZINC000589334840 518982844 /nfs/dbraw/zinc/98/28/44/518982844.db2.gz UBMWTLWZTCVLET-UHFFFAOYSA-N 0 3 352.460 2.852 20 5 FFBDHN COCCCN(C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000589630304 519047569 /nfs/dbraw/zinc/04/75/69/519047569.db2.gz BBHREHYQCAYBEE-HNNXBMFYSA-N 0 3 363.458 2.658 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2CCCc3sc(Cl)cc32)c1 ZINC000571433037 519095079 /nfs/dbraw/zinc/09/50/79/519095079.db2.gz OIJRTBWDJTZPFP-ZYHUDNBSSA-N 0 3 356.835 2.534 20 5 FFBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000590014362 519129839 /nfs/dbraw/zinc/12/98/39/519129839.db2.gz BSRIDNIQDJWCMW-PXAZEXFGSA-N 0 3 367.833 2.570 20 5 FFBDHN CN(C)CCn1ccc(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000565785458 519133159 /nfs/dbraw/zinc/13/31/59/519133159.db2.gz QVSBGPFQDOLVMV-UHFFFAOYSA-N 0 3 359.430 2.903 20 5 FFBDHN CCN(C[C@@H]1CCCN1CC)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000577578151 519147626 /nfs/dbraw/zinc/14/76/26/519147626.db2.gz XIPZSBRWXGJKGQ-INIZCTEOSA-N 0 3 371.441 2.727 20 5 FFBDHN CC(C)Oc1nc(NCc2ccc(OCCN(C)C)cc2)ccc1[N+](=O)[O-] ZINC000568663989 519155212 /nfs/dbraw/zinc/15/52/12/519155212.db2.gz JONVGFFFIBFKQR-UHFFFAOYSA-N 0 3 374.441 2.751 20 5 FFBDHN CNc1ccc(C(=O)N(C)CCCN(C)Cc2ccncc2)cc1[N+](=O)[O-] ZINC000577617530 519169844 /nfs/dbraw/zinc/16/98/44/519169844.db2.gz CQJNQHNZPSABGJ-UHFFFAOYSA-N 0 3 371.441 2.626 20 5 FFBDHN CCOc1cc(CN[C@@H]2CCCC[C@@H]2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000574512859 519191485 /nfs/dbraw/zinc/19/14/85/519191485.db2.gz NYAVZEGJECASQI-SJORKVTESA-N 0 3 363.458 2.727 20 5 FFBDHN COC(=O)c1c(Cl)c(N2CCC[C@@H]3CN(C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000590581003 519273259 /nfs/dbraw/zinc/27/32/59/519273259.db2.gz GJPQAKNCGDGIEW-NEPJUHHUSA-N 0 3 367.833 2.955 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2ccc(F)c(Cl)c2)c1 ZINC000583559945 519311310 /nfs/dbraw/zinc/31/13/10/519311310.db2.gz PICXENWFPUWTIF-ZDUSSCGKSA-N 0 3 354.765 2.917 20 5 FFBDHN NC(=O)C1CCN(Cc2ccc(CNc3ccsc3[N+](=O)[O-])cc2)CC1 ZINC000591198552 519544992 /nfs/dbraw/zinc/54/49/92/519544992.db2.gz RHUQCOJUVJCDME-UHFFFAOYSA-N 0 3 374.466 2.966 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000602924884 519976502 /nfs/dbraw/zinc/97/65/02/519976502.db2.gz JVJGEXVYWHZVLR-AWEZNQCLSA-N 0 3 356.785 2.606 20 5 FFBDHN Cn1nnc2c1CC[C@@H](NCc1ccc(-c3ccccc3[N+](=O)[O-])o1)C2 ZINC000594515562 520012368 /nfs/dbraw/zinc/01/23/68/520012368.db2.gz NMMMUVAFUBBWSD-GFCCVEGCSA-N 0 3 353.382 2.630 20 5 FFBDHN C[C@@H](c1ccncc1)N1CCC(Nc2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000591822307 520052796 /nfs/dbraw/zinc/05/27/96/520052796.db2.gz XEDIVCQURMKEAS-ZDUSSCGKSA-N 0 3 371.441 2.702 20 5 FFBDHN C[C@H](c1ccncc1)N1CCC(Nc2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000591822305 520053021 /nfs/dbraw/zinc/05/30/21/520053021.db2.gz XEDIVCQURMKEAS-CYBMUJFWSA-N 0 3 371.441 2.702 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN(CCO)CCO)cc1 ZINC000600178692 520105054 /nfs/dbraw/zinc/10/50/54/520105054.db2.gz BTRPQYCDTYUACH-UHFFFAOYSA-N 0 3 366.801 2.827 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CN[C@@H]1[C@@H]3Cc4cc(F)ccc4[C@@H]31)OCCO2 ZINC000594995542 520248293 /nfs/dbraw/zinc/24/82/93/520248293.db2.gz NHSMFLLAHBZWEK-MDASCCDHSA-N 0 3 356.353 2.933 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC(C)(C)C1(O)CCOCC1 ZINC000595044402 520267852 /nfs/dbraw/zinc/26/78/52/520267852.db2.gz MFNPECZOCXNGFK-CYBMUJFWSA-N 0 3 352.431 2.822 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000595046188 520268519 /nfs/dbraw/zinc/26/85/19/520268519.db2.gz JFZNARZLZMBORL-XQLPTFJDSA-N 0 3 351.447 2.752 20 5 FFBDHN O=C(NC[C@H]1CCN1C1CCCC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000600472748 520278672 /nfs/dbraw/zinc/27/86/72/520278672.db2.gz PMXQUFWGEPMFHH-OAHLLOKOSA-N 0 3 369.425 2.527 20 5 FFBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CCCCC2)C1 ZINC000609348288 520289363 /nfs/dbraw/zinc/28/93/63/520289363.db2.gz SIHKMQPHXBUNGF-SFHVURJKSA-N 0 3 360.458 2.874 20 5 FFBDHN CC(C)(C)N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000597922687 520324247 /nfs/dbraw/zinc/32/42/47/520324247.db2.gz KVKHNSIHLGBGKR-SNVBAGLBSA-N 0 3 370.247 2.960 20 5 FFBDHN CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@H]1CCN(C2CC2)C1 ZINC000609509326 520336678 /nfs/dbraw/zinc/33/66/78/520336678.db2.gz PYUPCEUULQVJHJ-INIZCTEOSA-N 0 3 358.442 2.504 20 5 FFBDHN COC[C@](C)(O)CNCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000609564499 520358033 /nfs/dbraw/zinc/35/80/33/520358033.db2.gz BYEZYWUZOONIPL-LJQANCHMSA-N 0 3 359.426 2.850 20 5 FFBDHN Cc1nccc([C@H]2CCCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000603834059 520370974 /nfs/dbraw/zinc/37/09/74/520370974.db2.gz GDTLHDJRDNDHLH-HNNXBMFYSA-N 0 3 369.425 2.901 20 5 FFBDHN O=[N+]([O-])c1cccc(CN[C@]2(CO)CCCN(Cc3ccccc3)C2)c1 ZINC000609625536 520385006 /nfs/dbraw/zinc/38/50/06/520385006.db2.gz UZZVXBOFQPTBSW-HXUWFJFHSA-N 0 3 355.438 2.712 20 5 FFBDHN O=C(CCNC[C@@H](n1cccn1)C(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000600749293 520446306 /nfs/dbraw/zinc/44/63/06/520446306.db2.gz WQGIRURVRGFMFP-CYBMUJFWSA-N 0 3 371.319 2.513 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](CO)[C@H](C)c1ccccc1 ZINC000613389783 520478832 /nfs/dbraw/zinc/47/88/32/520478832.db2.gz QROVPFFKIJODOP-KDOFPFPSSA-N 0 3 357.410 2.596 20 5 FFBDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000598194743 520484832 /nfs/dbraw/zinc/48/48/32/520484832.db2.gz HKQNWLCVDRMTOC-IBGZPJMESA-N 0 3 353.422 2.984 20 5 FFBDHN CCOC(=O)c1ccnc(NC[C@@H](C)N2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000609963931 520492226 /nfs/dbraw/zinc/49/22/26/520492226.db2.gz JQVKYJWUSCZYCS-CHWSQXEVSA-N 0 3 350.419 2.841 20 5 FFBDHN Cc1noc(CN2CCN(c3ccnc4ccccc43)CC2)c1[N+](=O)[O-] ZINC000595483304 520500089 /nfs/dbraw/zinc/50/00/89/520500089.db2.gz FYMODBLCSJGPPO-UHFFFAOYSA-N 0 3 353.382 2.762 20 5 FFBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000598262963 520527008 /nfs/dbraw/zinc/52/70/08/520527008.db2.gz ODFGEEHFHHCMCB-AWEZNQCLSA-N 0 3 351.472 2.924 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000592881159 520631353 /nfs/dbraw/zinc/63/13/53/520631353.db2.gz LARBFAFOMAIVRK-APWZRJJASA-N 0 3 353.422 2.978 20 5 FFBDHN O=[N+]([O-])c1cc(F)cnc1NCc1ccccc1CN1CCC(O)CC1 ZINC000601120603 520645140 /nfs/dbraw/zinc/64/51/40/520645140.db2.gz MBBNNJIHTQPSGN-UHFFFAOYSA-N 0 3 360.389 2.698 20 5 FFBDHN C[C@H](NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000610422073 520676742 /nfs/dbraw/zinc/67/67/42/520676742.db2.gz UQBGJHKCKVKUQR-JXFKEZNVSA-N 0 3 355.438 2.882 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN(C[C@H](C)O)C2CCCCC2)c1 ZINC000593012434 520684529 /nfs/dbraw/zinc/68/45/29/520684529.db2.gz XDKKXIWRCUAKIA-ZDUSSCGKSA-N 0 3 350.415 2.897 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@]2(CO)CC(C)C)c1 ZINC000593027073 520691654 /nfs/dbraw/zinc/69/16/54/520691654.db2.gz KMWCHIGLWYWGSN-GOSISDBHSA-N 0 3 350.415 2.754 20 5 FFBDHN Cc1c2cccc(C)c2oc1CN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000593088236 520734550 /nfs/dbraw/zinc/73/45/50/520734550.db2.gz YMYXUUKJHNCTHE-OAHLLOKOSA-N 0 3 358.398 2.647 20 5 FFBDHN C[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCc2ccc(F)cc21 ZINC000593115668 520756308 /nfs/dbraw/zinc/75/63/08/520756308.db2.gz HVAFFFIEQSGEEU-GFCCVEGCSA-N 0 3 357.385 2.995 20 5 FFBDHN Cn1nc(CCNCc2cc3c(cc2[N+](=O)[O-])OCCO3)c2ccccc21 ZINC000614101133 520802421 /nfs/dbraw/zinc/80/24/21/520802421.db2.gz KFLVRDVPTWWQFL-UHFFFAOYSA-N 0 3 368.393 2.585 20 5 FFBDHN CC(C)[C@H](O)[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000596065125 520890224 /nfs/dbraw/zinc/89/02/24/520890224.db2.gz DSVWOIZWWXHVSH-VDGAXYAQSA-N 0 3 374.437 2.682 20 5 FFBDHN CC(C)(CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000596070090 520893899 /nfs/dbraw/zinc/89/38/99/520893899.db2.gz MVGAHFYFVHRKKH-UHFFFAOYSA-N 0 3 368.377 2.937 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2cnccc2C(F)(F)F)c1 ZINC000596070896 520894128 /nfs/dbraw/zinc/89/41/28/520894128.db2.gz UXKYJUUAKQBMEC-CYBMUJFWSA-N 0 3 371.315 2.538 20 5 FFBDHN COc1cc(NC2CCN(CCN(C)C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596075952 520897721 /nfs/dbraw/zinc/89/77/21/520897721.db2.gz KTKBWALEVVSIOZ-UHFFFAOYSA-N 0 3 356.854 2.695 20 5 FFBDHN COc1cc(N[C@H]2CCN(C3CCN(C)CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596124312 520926513 /nfs/dbraw/zinc/92/65/13/520926513.db2.gz VHDOUZRMXUIRQV-LBPRGKRZSA-N 0 3 368.865 2.837 20 5 FFBDHN CN1CCC(n2cc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cn2)CC1 ZINC000601778908 520947547 /nfs/dbraw/zinc/94/75/47/520947547.db2.gz WCBGNYYYULVAGM-UHFFFAOYSA-N 0 3 363.805 2.964 20 5 FFBDHN COc1cc(NCc2ccnc(OCCN(C)C)c2)c([N+](=O)[O-])cc1C ZINC000596179071 520955822 /nfs/dbraw/zinc/95/58/22/520955822.db2.gz LNBXHIXWPAYLEN-UHFFFAOYSA-N 0 3 360.414 2.859 20 5 FFBDHN Cc1c(Br)cc(C(=O)NCCN2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000611073032 520970739 /nfs/dbraw/zinc/97/07/39/520970739.db2.gz QPHPRSPAYSVQSS-SNVBAGLBSA-N 0 3 370.247 2.737 20 5 FFBDHN CC(C)[C@H](CNc1ccc2cnccc2c1[N+](=O)[O-])N1CCN(C)CC1 ZINC000599022443 520985320 /nfs/dbraw/zinc/98/53/20/520985320.db2.gz KUPIMGKBLUXJHM-SFHVURJKSA-N 0 3 357.458 2.827 20 5 FFBDHN CC[C@H](NC[C@H]1CN(Cc2ccncc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000599088370 521024475 /nfs/dbraw/zinc/02/44/75/521024475.db2.gz QMJZTOHMDLAVSO-PMACEKPBSA-N 0 3 370.453 2.932 20 5 FFBDHN CC(C)N1CCN([C@H]2CCN(C/C=C\c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000611276066 521075759 /nfs/dbraw/zinc/07/57/59/521075759.db2.gz JVUMXUPXUYEJOG-WPGJWXSHSA-N 0 3 358.486 2.708 20 5 FFBDHN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)C(C[C@H]1CCCO1)C(F)(F)F ZINC000593560662 521077594 /nfs/dbraw/zinc/07/75/94/521077594.db2.gz WBNFYRAERDSOML-MWLCHTKSSA-N 0 3 372.303 2.579 20 5 FFBDHN COC(=O)c1cc(C)nc(N[C@H](C)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000596488195 521095516 /nfs/dbraw/zinc/09/55/16/521095516.db2.gz OKEHPJFGXRGBNE-CYBMUJFWSA-N 0 3 350.419 2.617 20 5 FFBDHN CS(=O)(=O)c1ccc(NC[C@@H]2CCCN(CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000596570440 521138363 /nfs/dbraw/zinc/13/83/63/521138363.db2.gz LCAIPLJARBFHSJ-AWEZNQCLSA-N 0 3 367.471 2.532 20 5 FFBDHN Cn1ncc2c1CC(C)(C)CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000596598726 521155985 /nfs/dbraw/zinc/15/59/85/521155985.db2.gz NXNDVAZOPLYTMC-UHFFFAOYSA-N 0 3 371.441 2.741 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)n1 ZINC000611615883 521250679 /nfs/dbraw/zinc/25/06/79/521250679.db2.gz FKPKWXMMVRTRFO-HOTGVXAUSA-N 0 3 362.474 2.932 20 5 FFBDHN CC1(C)CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCN1CCO ZINC000615140576 521290057 /nfs/dbraw/zinc/29/00/57/521290057.db2.gz YNVKMAWBRFCQLW-UHFFFAOYSA-N 0 3 359.426 2.743 20 5 FFBDHN COC(=O)[C@@](C)(NC[C@H]1CCCCN1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000599651141 521361186 /nfs/dbraw/zinc/36/11/86/521361186.db2.gz HGTMWXDGPBRPEN-MJGOQNOKSA-N 0 3 363.458 2.836 20 5 FFBDHN CCCN1CC[C@@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000596899114 521367159 /nfs/dbraw/zinc/36/71/59/521367159.db2.gz BSSJJSSPAIMOEH-LLVKDONJSA-N 0 3 371.235 2.963 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])CN1C1CC1 ZINC000599659916 521373156 /nfs/dbraw/zinc/37/31/56/521373156.db2.gz LSMQKTVMFWJUDU-VHSXEESVSA-N 0 3 368.231 2.712 20 5 FFBDHN O=[N+]([O-])c1ccc2oc(CNC3CCN(Cc4ccccn4)CC3)nc2c1 ZINC000602517158 521390903 /nfs/dbraw/zinc/39/09/03/521390903.db2.gz WLQODYLZKUWSFL-UHFFFAOYSA-N 0 3 367.409 2.885 20 5 FFBDHN O=[N+]([O-])c1sc(CN[C@H]2CCc3c[nH]nc3C2)cc1Br ZINC000602569541 521415828 /nfs/dbraw/zinc/41/58/28/521415828.db2.gz SXTLQMGGWGWQQC-QMMMGPOBSA-N 0 3 357.233 2.789 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCN1C ZINC000607688857 521430386 /nfs/dbraw/zinc/43/03/86/521430386.db2.gz YRGSADQOVQSAEQ-HZPDHXFCSA-N 0 3 363.461 2.754 20 5 FFBDHN O=[N+]([O-])c1sc(CN[C@@H]2CCn3ccnc3C2)cc1Br ZINC000602624231 521441112 /nfs/dbraw/zinc/44/11/12/521441112.db2.gz SVCVMCXYEZYQRO-MRVPVSSYSA-N 0 3 357.233 2.720 20 5 FFBDHN CN(CCN(C)C1CC1)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599770870 521459776 /nfs/dbraw/zinc/45/97/76/521459776.db2.gz CZDQPROOWYVBDO-UHFFFAOYSA-N 0 3 356.220 2.524 20 5 FFBDHN COc1cccc(CC2CCN(CCn3cc([N+](=O)[O-])ccc3=O)CC2)c1 ZINC000612122376 521494510 /nfs/dbraw/zinc/49/45/10/521494510.db2.gz SZLZTSLENDVFSD-UHFFFAOYSA-N 0 3 371.437 2.720 20 5 FFBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830656 521499150 /nfs/dbraw/zinc/49/91/50/521499150.db2.gz WGIBPAJTDDCFSM-CYBMUJFWSA-N 0 3 357.414 2.949 20 5 FFBDHN Nc1c(NC(=O)N2CC[C@H](N3CCCC3)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597095313 521501570 /nfs/dbraw/zinc/50/15/70/521501570.db2.gz RYYYPPMBGFIGFE-NSHDSACASA-N 0 3 353.810 2.532 20 5 FFBDHN CN1CC[C@]2(CCN(C(=O)Nc3ccc([N+](=O)[O-])c4ccncc34)C2)C1 ZINC000599836794 521502905 /nfs/dbraw/zinc/50/29/05/521502905.db2.gz YKNYJVDXEMFNOE-SFHVURJKSA-N 0 3 355.398 2.703 20 5 FFBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@H](Cn3ccnn3)C2)o1 ZINC000597173054 521553943 /nfs/dbraw/zinc/55/39/43/521553943.db2.gz CXMACPSGGBPNCI-AWEZNQCLSA-N 0 3 353.382 2.968 20 5 FFBDHN COc1ccccc1O[C@@H]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602831453 521558189 /nfs/dbraw/zinc/55/81/89/521558189.db2.gz XOMBZEKCWDRYLJ-OAHLLOKOSA-N 0 3 360.414 2.652 20 5 FFBDHN Nc1cc(N[C@@H]2CCCN(Cc3ccccc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000619570347 521775682 /nfs/dbraw/zinc/77/56/82/521775682.db2.gz VIKQWKYBQVENMO-MRXNPFEDSA-N 0 3 356.426 2.746 20 5 FFBDHN COC(=O)CCN(Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000746672764 735504014 /nfs/dbraw/zinc/50/40/14/735504014.db2.gz IRCBMYSLLJKQJV-UHFFFAOYSA-N 0 3 356.806 2.792 20 5 FFBDHN C[C@H](CN(C)CCOc1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000860098866 730476275 /nfs/dbraw/zinc/47/62/75/730476275.db2.gz TZKHPGNVKRRTAD-CYBMUJFWSA-N 0 3 353.419 2.819 20 5 FFBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000874825156 732104011 /nfs/dbraw/zinc/10/40/11/732104011.db2.gz WZQRPJNHULKEAN-RYUDHWBXSA-N 0 3 368.231 2.666 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)cc1SC ZINC000874835769 732105362 /nfs/dbraw/zinc/10/53/62/732105362.db2.gz ADXAQSOGIOANTC-STQMWFEESA-N 0 3 365.455 2.634 20 5 FFBDHN CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877608632 732397910 /nfs/dbraw/zinc/39/79/10/732397910.db2.gz XSWINDXCVVUBAF-OAHLLOKOSA-N 0 3 359.348 2.712 20 5 FFBDHN CCN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000878943489 732619550 /nfs/dbraw/zinc/61/95/50/732619550.db2.gz GTMAWIDEYVWBED-LSDHHAIUSA-N 0 3 361.364 2.587 20 5 FFBDHN CC(C)[C@H]1CN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CCN1C ZINC000879601312 732731607 /nfs/dbraw/zinc/73/16/07/732731607.db2.gz NVDJSXXORJWGGT-BLLLJJGKSA-N 0 3 368.865 2.847 20 5 FFBDHN O=C(CN[C@@H]1CCC[C@]12CCCO2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000880508191 732916304 /nfs/dbraw/zinc/91/63/04/732916304.db2.gz RGTFHQRACNBENE-ZBFHGGJFSA-N 0 3 353.806 2.878 20 5 FFBDHN NC(=O)C1(N2CCCCC2)CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000882816617 733298405 /nfs/dbraw/zinc/29/84/05/733298405.db2.gz RQNAFMLHWJMHAV-UHFFFAOYSA-N 0 3 366.849 2.558 20 5 FFBDHN C[C@H](NCc1ccc(Br)cc1[N+](=O)[O-])C(C)(C)n1cncn1 ZINC000883294667 733361432 /nfs/dbraw/zinc/36/14/32/733361432.db2.gz GWNPXYAMOSMCOL-JTQLQIEISA-N 0 3 368.235 2.862 20 5 FFBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCC[C@@H]1CCCS1(=O)=O ZINC000883309861 733367009 /nfs/dbraw/zinc/36/70/09/733367009.db2.gz WCKBJXLNDXDOTE-AAEUAGOBSA-N 0 3 358.485 2.935 20 5 FFBDHN COC[C@H](NCc1cc([N+](=O)[O-])ccc1OC(C)C)[C@H]1CCCOC1 ZINC000886907526 733855799 /nfs/dbraw/zinc/85/57/99/733855799.db2.gz DRZNXKYUGAELMF-YOEHRIQHSA-N 0 3 352.431 2.913 20 5 FFBDHN C[C@]1(Br)C[C@H]1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000892078500 734512647 /nfs/dbraw/zinc/51/26/47/734512647.db2.gz NNZPRCFSJWHBIQ-MJVIPROJSA-N 0 3 355.236 2.650 20 5 FFBDHN COc1c([O-])ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1[N+](=O)[O-] ZINC000894700176 734902678 /nfs/dbraw/zinc/90/26/78/734902678.db2.gz LQEGBWJLNCSPAL-ZNMIVQPWSA-N 0 3 350.415 2.825 20 5 FFBDHN COc1c([O-])ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1[N+](=O)[O-] ZINC000894700176 734902679 /nfs/dbraw/zinc/90/26/79/734902679.db2.gz LQEGBWJLNCSPAL-ZNMIVQPWSA-N 0 3 350.415 2.825 20 5 FFBDHN COc1cc([C@@H](C)NCC[S@@](=O)CC(F)(F)F)cc([N+](=O)[O-])c1 ZINC000903201654 736054004 /nfs/dbraw/zinc/05/40/04/736054004.db2.gz ZAXTVOSKMQFOEU-XQHREBAHSA-N 0 3 354.350 2.565 20 5 FFBDHN CC(C)[C@@H]1CN(C)CCN1Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774639138 738008372 /nfs/dbraw/zinc/00/83/72/738008372.db2.gz UATZRHUYRBJQGC-HNNXBMFYSA-N 0 3 351.838 2.827 20 5 FFBDHN COc1cc(CNC[C@H]2CC[C@H](C(F)(F)F)O2)c([N+](=O)[O-])cc1O ZINC000922462980 738149526 /nfs/dbraw/zinc/14/95/26/738149526.db2.gz QAHNURMNWICEPF-NOZJJQNGSA-N 0 3 350.293 2.509 20 5 FFBDHN CN(C)Cc1ccccc1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000776793072 738234103 /nfs/dbraw/zinc/23/41/03/738234103.db2.gz XCKQVGNDUQPFBL-UHFFFAOYSA-N 0 3 363.439 2.641 20 5 FFBDHN CC(C)N1CCN(CCCOC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000791994689 739623811 /nfs/dbraw/zinc/62/38/11/739623811.db2.gz LMTSUEPEYRLEAO-UHFFFAOYSA-N 0 3 369.849 2.821 20 5 FFBDHN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000804349670 740862835 /nfs/dbraw/zinc/86/28/35/740862835.db2.gz PRZJFUXXNWNZOD-ZDUSSCGKSA-N 0 3 350.375 2.558 20 5 FFBDHN Cc1ccc(NC[C@@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])c1Br ZINC000804397639 740869107 /nfs/dbraw/zinc/86/91/07/740869107.db2.gz ZXWNVOBOFGMAEE-VXGBXAGGSA-N 0 3 370.247 2.941 20 5 FFBDHN CC(COC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)[N+](=O)[O-] ZINC000813106452 741677192 /nfs/dbraw/zinc/67/71/92/741677192.db2.gz CKISERXSDYKJBD-GXTWGEPZSA-N 0 3 352.387 2.851 20 5 FFBDHN CC(COC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)[N+](=O)[O-] ZINC000813110240 741678040 /nfs/dbraw/zinc/67/80/40/741678040.db2.gz VKAHXPXRXVEDIX-SCZZXKLOSA-N 0 3 361.181 2.555 20 5 FFBDHN Cc1cc(C)c(C(=O)OCC(C)[N+](=O)[O-])cc1I ZINC000813112241 741678376 /nfs/dbraw/zinc/67/83/76/741678376.db2.gz OJVLTKDKBODSKI-SECBINFHSA-N 0 3 363.151 2.730 20 5 FFBDHN CC(COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000813112694 741678461 /nfs/dbraw/zinc/67/84/61/741678461.db2.gz TTWRADMWNXBEHZ-RQJABVFESA-N 0 3 356.419 2.763 20 5 FFBDHN Cn1ccnc1[C@@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000825326265 743248649 /nfs/dbraw/zinc/24/86/49/743248649.db2.gz KZBLXVCTVWWZBE-DOMZBBRYSA-N 0 3 350.806 2.992 20 5 FFBDHN CSc1ccc([C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])N(C)C)cc1 ZINC000832932931 745766366 /nfs/dbraw/zinc/76/63/66/745766366.db2.gz DWXMYYVTFAIDHW-HNNXBMFYSA-N 0 3 353.488 2.963 20 5 FFBDHN NC(=O)[C@@]1(c2ccccc2)CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000839643771 746880693 /nfs/dbraw/zinc/88/06/93/746880693.db2.gz SXSNGFMIFXLDEY-SFHVURJKSA-N 0 3 359.813 2.877 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCc2cccc3c2OC(F)(F)O3)cc1 ZINC000840893679 747216495 /nfs/dbraw/zinc/21/64/95/747216495.db2.gz KVPCYLGHZGRLST-ZDUSSCGKSA-N 0 3 352.293 2.740 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000843854290 747912357 /nfs/dbraw/zinc/91/23/57/747912357.db2.gz KDRHLSGTGLYAJW-LSDHHAIUSA-N 0 3 367.446 2.694 20 5 FFBDHN CC([C@H](OC(=O)CCOC1CCOCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845873839 748341767 /nfs/dbraw/zinc/34/17/67/748341767.db2.gz DXAJQRQOAAZPBJ-SJCJKPOMSA-N 0 3 355.362 2.661 20 5 FFBDHN CO[C@@H]1COCC[C@@H]1CC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845875692 748342170 /nfs/dbraw/zinc/34/21/70/748342170.db2.gz BDYJPAQIXMXFON-RYPCIWMOSA-N 0 3 355.362 2.517 20 5 FFBDHN CC([C@@H](OC(=O)[C@@H](C)N(C)CC(F)(F)F)c1ccccc1F)[N+](=O)[O-] ZINC000845883338 748343903 /nfs/dbraw/zinc/34/39/03/748343903.db2.gz SECWNOAZVKMGRQ-OPQQBVKSSA-N 0 3 366.311 2.958 20 5 FFBDHN Cc1c(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])nnn1C(C)C ZINC000845882902 748344143 /nfs/dbraw/zinc/34/41/43/748344143.db2.gz QCMGKHKCYHLGES-NHYWBVRUSA-N 0 3 350.350 2.870 20 5 FFBDHN CC(COC(=O)c1cccc2c1CN(C(=O)OC(C)(C)C)C2)[N+](=O)[O-] ZINC000851037419 749490912 /nfs/dbraw/zinc/49/09/12/749490912.db2.gz VDJAHHOQGDZIAP-LLVKDONJSA-N 0 3 350.371 2.759 20 5 FFBDHN C[C@@H]1CCC[N@@H+](C(C)(C)CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001576179855 949929355 /nfs/dbraw/zinc/92/93/55/949929355.db2.gz MHNYZMAIGGBXHL-GFCCVEGCSA-N 0 3 359.434 2.697 20 5 FFBDHN C[C@@H]1CCC[N@H+](C(C)(C)CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001576179855 949929378 /nfs/dbraw/zinc/92/93/78/949929378.db2.gz MHNYZMAIGGBXHL-GFCCVEGCSA-N 0 3 359.434 2.697 20 5 FFBDHN C[C@@H]1CCC[N@@H+](C(C)(C)CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001576179855 949929388 /nfs/dbraw/zinc/92/93/88/949929388.db2.gz MHNYZMAIGGBXHL-GFCCVEGCSA-N 0 3 359.434 2.697 20 5 FFBDHN C[C@@H]1CCC[N@H+](C(C)(C)CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001576179855 949929401 /nfs/dbraw/zinc/92/94/01/949929401.db2.gz MHNYZMAIGGBXHL-GFCCVEGCSA-N 0 3 359.434 2.697 20 5 FFBDHN COc1ccccc1N1CC[C@@H](NCc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000893111402 970610384 /nfs/dbraw/zinc/61/03/84/970610384.db2.gz RUVZZQCZEQYLMC-CQSZACIVSA-N 0 3 373.409 2.686 20 5 FFBDHN CC(C)(C)OC(=O)NC[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000170647132 985103846 /nfs/dbraw/zinc/10/38/46/985103846.db2.gz MBGQBJJRALNNRH-AWEZNQCLSA-N 0 3 365.430 2.820 20 5 FFBDHN Cc1c(C(=O)NC[C@@H](C)N2CCC(C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000063586883 985954974 /nfs/dbraw/zinc/95/49/74/985954974.db2.gz AOXKGFCTAMBGJH-GFCCVEGCSA-N 0 3 364.402 2.662 20 5 FFBDHN Cc1cc(F)cc(C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000151753729 986844131 /nfs/dbraw/zinc/84/41/31/986844131.db2.gz QQENBAVBCRWJEO-ZIAGYGMSSA-N 0 3 367.421 2.662 20 5 FFBDHN O=C1CCc2cc([N+](=O)[O-])c(N3CCN(C4CCCCC4)CC3)cc2N1 ZINC000152429007 987207582 /nfs/dbraw/zinc/20/75/82/987207582.db2.gz AHLHXBQRTKEWFC-UHFFFAOYSA-N 0 3 358.442 2.934 20 5 FFBDHN CC1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000130411648 989087264 /nfs/dbraw/zinc/08/72/64/989087264.db2.gz NRRLYKMREFTZAI-UHFFFAOYSA-N 0 3 360.458 2.657 20 5 FFBDHN CC(COC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813113459 995625583 /nfs/dbraw/zinc/62/55/83/995625583.db2.gz QEZSJVADDSBJBH-FRRDWIJNSA-N 0 3 365.386 2.899 20 5 FFBDHN O=C(N[C@H](CN1CCCC1)c1ccccc1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824616430 997015035 /nfs/dbraw/zinc/01/50/35/997015035.db2.gz VWGMXBDSGSKORX-MOPGFXCFSA-N 0 3 369.421 2.582 20 5 FFBDHN CC(C)(C)N1CC[C@@H]1COC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000845738312 998629372 /nfs/dbraw/zinc/62/93/72/998629372.db2.gz DYAFHDHSTCKROA-CQSZACIVSA-N 0 3 358.398 2.810 20 5 FFBDHN CC([C@H](OC(=O)[C@@H]1CCc2ncncc2C1)c1ccccc1F)[N+](=O)[O-] ZINC000845875820 998676762 /nfs/dbraw/zinc/67/67/62/998676762.db2.gz COVNKDWCXSWCCW-QFSBIZTOSA-N 0 3 359.357 2.670 20 5 FFBDHN Cc1nn(C)c2ncc(C(=O)O[C@@H](c3ccccc3F)C(C)[N+](=O)[O-])cc12 ZINC000845873630 998676914 /nfs/dbraw/zinc/67/69/14/998676914.db2.gz VLHRIDBWWKWDDT-MEDUHNTESA-N 0 3 372.356 2.979 20 5 FFBDHN CC([C@H](OC(=O)c1cc(OC(F)F)n(C)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845872889 998677270 /nfs/dbraw/zinc/67/72/70/998677270.db2.gz AMAOSASMUBCVKG-SDBXPKJASA-N 0 3 373.287 2.724 20 5 FFBDHN CC([C@@H](OC(=O)CCc1ccccc1C(N)=O)c1ccccc1F)[N+](=O)[O-] ZINC000845884057 998678789 /nfs/dbraw/zinc/67/87/89/998678789.db2.gz XAHQGUORBLCICX-KPZWWZAWSA-N 0 3 374.368 2.807 20 5 FFBDHN CC([C@@H](OC(=O)CCc1ccccc1C(N)=O)c1ccccc1F)[N+](=O)[O-] ZINC000845884058 998678900 /nfs/dbraw/zinc/67/89/00/998678900.db2.gz XAHQGUORBLCICX-KZULUSFZSA-N 0 3 374.368 2.807 20 5 FFBDHN CS(=O)(=O)c1ccc(C2CCN([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169057962 1000019251 /nfs/dbraw/zinc/01/92/51/1000019251.db2.gz ZMFPSAPFMPMNCM-YOEHRIQHSA-N 0 3 366.483 2.715 20 5 FFBDHN NCc1ccc2c(n1)N(c1cc([N+](=O)[O-])cc(Br)n1)CCC2 ZINC001169592441 1000060201 /nfs/dbraw/zinc/06/02/01/1000060201.db2.gz SLULVLJCTJLNHE-UHFFFAOYSA-N 0 3 364.203 2.690 20 5 FFBDHN NCc1ccc2c(n1)N(c1ncc([N+](=O)[O-])cc1C(F)(F)F)CCC2 ZINC001169592083 1000060254 /nfs/dbraw/zinc/06/02/54/1000060254.db2.gz GIFWXORVWSIHKC-UHFFFAOYSA-N 0 3 353.304 2.947 20 5 FFBDHN O=c1[nH]cc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c2ccccc12 ZINC001169932917 1000087038 /nfs/dbraw/zinc/08/70/38/1000087038.db2.gz DLTMFTLYCHGZOO-UHFFFAOYSA-N 0 3 353.382 2.882 20 5 FFBDHN O=C([C@H]1CCCN(Cc2cccnc2)C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116135890 1032147693 /nfs/dbraw/zinc/14/76/93/1032147693.db2.gz OBDZMMVZGPMGCD-KRWDZBQOSA-N 0 3 366.421 2.744 20 5 FFBDHN O=C(CCN1CCc2ccccc2C1)OCCOc1ccccc1[N+](=O)[O-] ZINC000786820296 1001633034 /nfs/dbraw/zinc/63/30/34/1001633034.db2.gz DPEMDLWXZKQSSV-UHFFFAOYSA-N 0 3 370.405 2.965 20 5 FFBDHN CN(C)c1cc(F)c(C(=O)NC[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000791295987 1002637418 /nfs/dbraw/zinc/63/74/18/1002637418.db2.gz BAOLKMVBIMYERE-SFHVURJKSA-N 0 3 374.416 2.833 20 5 FFBDHN COc1ccc(C[C@H](C)N[C@@H](C)c2nnc3ccccn32)c([N+](=O)[O-])c1 ZINC001170298384 1003091427 /nfs/dbraw/zinc/09/14/27/1003091427.db2.gz KRURJGLFJDUQQT-STQMWFEESA-N 0 3 355.398 2.928 20 5 FFBDHN CCc1cc(NCCN2CC=CCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001186326046 1003268704 /nfs/dbraw/zinc/26/87/04/1003268704.db2.gz XKMYESHOBPDEPO-UHFFFAOYSA-N 0 3 353.426 2.710 20 5 FFBDHN CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](OCCN2CCCCC2)C1 ZINC000804562129 1003726722 /nfs/dbraw/zinc/72/67/22/1003726722.db2.gz FNLQTKPHNOHEOZ-KRWDZBQOSA-N 0 3 361.442 2.879 20 5 FFBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000867233451 1004182649 /nfs/dbraw/zinc/18/26/49/1004182649.db2.gz RJBDGLLCUIIWEU-CQSZACIVSA-N 0 3 359.401 2.913 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCc2cc(O)ccc2C1 ZINC001198827543 1004738130 /nfs/dbraw/zinc/73/81/30/1004738130.db2.gz DIMAFLBOAGOAFR-UHFFFAOYSA-N 0 3 355.394 2.996 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H](c2ccncc2)C2(CO)CCC2)c1 ZINC000853134834 1006309730 /nfs/dbraw/zinc/30/97/30/1006309730.db2.gz YEINRCXDTBJRON-QZTJIDSGSA-N 0 3 357.410 2.517 20 5 FFBDHN O=C1CN(CN(CCC2CC2)CC2CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000853607692 1006472105 /nfs/dbraw/zinc/47/21/05/1006472105.db2.gz SRSJPDSAUMYSKC-UHFFFAOYSA-N 0 3 372.425 2.833 20 5 FFBDHN C[C@H](Cn1ncc2ccccc2c1=O)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815598996 1006704090 /nfs/dbraw/zinc/70/40/90/1006704090.db2.gz IRDNOOWGAHVTPJ-CHWSQXEVSA-N 0 3 367.409 2.626 20 5 FFBDHN Cc1c(C(=O)NCCN2CCCCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000132549538 1006947211 /nfs/dbraw/zinc/94/72/11/1006947211.db2.gz SXEWASCHHITALE-UHFFFAOYSA-N 0 3 364.402 2.726 20 5 FFBDHN Cc1ccc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)c(N2CCCC2)n1 ZINC000819221304 1008076903 /nfs/dbraw/zinc/07/69/03/1008076903.db2.gz XGJNDWRKMUVGDS-SFHVURJKSA-N 0 3 356.426 2.722 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000820673874 1008359302 /nfs/dbraw/zinc/35/93/02/1008359302.db2.gz MOSFXFRDPPSMBT-HUUCEWRRSA-N 0 3 363.458 2.831 20 5 FFBDHN COc1c(O)ccc(CN[C@H]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC001206559269 1032343697 /nfs/dbraw/zinc/34/36/97/1032343697.db2.gz CMJBUCFLEFRGED-YPMHNXCESA-N 0 3 366.414 2.909 20 5 FFBDHN CN(C[C@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000823167591 1008954088 /nfs/dbraw/zinc/95/40/88/1008954088.db2.gz JSZJBGYZAWCOFL-CYBMUJFWSA-N 0 3 367.446 2.647 20 5 FFBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860915433 1009198211 /nfs/dbraw/zinc/19/82/11/1009198211.db2.gz FLQYMCIGRIGOKF-OAHLLOKOSA-N 0 3 370.453 2.504 20 5 FFBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OC[C@]1(C)C[C@H](OC)CN1C ZINC000861348297 1009365339 /nfs/dbraw/zinc/36/53/39/1009365339.db2.gz NZBJXQKSXAWCAH-AYBZRNKSSA-N 0 3 364.442 2.816 20 5 FFBDHN Cc1nccc(CNC2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)n1 ZINC001173006978 1012177300 /nfs/dbraw/zinc/17/73/00/1012177300.db2.gz DWENFVHWHWNLJK-UHFFFAOYSA-N 0 3 363.368 2.730 20 5 FFBDHN COc1ccc(OC)c([C@H](O)CN(C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000801602058 1019162328 /nfs/dbraw/zinc/16/23/28/1019162328.db2.gz UVISJLJOTRZUNT-GOSISDBHSA-N 0 3 360.410 2.820 20 5 FFBDHN Cc1noc2nc(O[C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)c3c(c12)CCNC3 ZINC001218044961 1032969935 /nfs/dbraw/zinc/96/99/35/1032969935.db2.gz GHWWMUCFLFNEKC-CQSZACIVSA-N 0 3 366.377 2.631 20 5 FFBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000014887662 1021709677 /nfs/dbraw/zinc/70/96/77/1021709677.db2.gz RBRMNOMORNPVTJ-SFHVURJKSA-N 0 3 356.426 2.694 20 5 FFBDHN O=C(OCc1cccnc1[N+](=O)[O-])C1CCN(Cc2ccccc2)CC1 ZINC001119398800 1022739610 /nfs/dbraw/zinc/73/96/10/1022739610.db2.gz ZUSZRICOTYQBAK-UHFFFAOYSA-N 0 3 355.394 2.945 20 5 FFBDHN Cc1cc2ncn(C[C@@H](O)CNCc3ccc([N+](=O)[O-])cc3)c2cc1C ZINC001120572726 1023366611 /nfs/dbraw/zinc/36/66/11/1023366611.db2.gz YAADHUZBBVEUAX-KRWDZBQOSA-N 0 3 354.410 2.712 20 5 FFBDHN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NC[C@@H]3CCCN3C)cc2[N+](=O)[O-])C1 ZINC000194736012 1024884919 /nfs/dbraw/zinc/88/49/19/1024884919.db2.gz VNUKBCPTSYDOIY-ZOBUZTSGSA-N 0 3 374.485 2.901 20 5 FFBDHN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)NC[C@@H]2Cc3ccccc3CN2)c1 ZINC001163271541 1028865689 /nfs/dbraw/zinc/86/56/89/1028865689.db2.gz ABCVJGAMKDSRNT-LBPRGKRZSA-N 0 3 368.771 2.997 20 5 FFBDHN Cc1cc(CN)nn1-c1c2ccc(Br)cc2ncc1[N+](=O)[O-] ZINC001163984955 1029135155 /nfs/dbraw/zinc/13/51/55/1029135155.db2.gz FZQVMCQTWSWKEZ-UHFFFAOYSA-N 0 3 362.187 2.858 20 5 FFBDHN COc1cc2ncnc(N3CCN(C)CC34CCCC4)c2cc1[N+](=O)[O-] ZINC001158409828 1029821582 /nfs/dbraw/zinc/82/15/82/1029821582.db2.gz BKEKHINYPHZKKH-UHFFFAOYSA-N 0 3 357.414 2.611 20 5 FFBDHN COc1nc(NC[C@H](c2ccccc2)N2CCCC2)nc(C)c1[N+](=O)[O-] ZINC001166866115 1030554962 /nfs/dbraw/zinc/55/49/62/1030554962.db2.gz WRGSXOROEJBUNL-OAHLLOKOSA-N 0 3 357.414 2.951 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ncn(CN3CCC[C@@H]3[C@@H]3CCCOC3)n2)cc1 ZINC000842613231 1030823549 /nfs/dbraw/zinc/82/35/49/1030823549.db2.gz BEIIXWLQJIEDCH-NVXWUHKLSA-N 0 3 357.414 2.702 20 5 FFBDHN Cc1c(CN2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000831563768 1034127059 /nfs/dbraw/zinc/12/70/59/1034127059.db2.gz POSWZBWKXZNVDG-KGLIPLIRSA-N 0 3 371.359 2.746 20 5 FFBDHN Cc1c(CN2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000831563770 1034127789 /nfs/dbraw/zinc/12/77/89/1034127789.db2.gz POSWZBWKXZNVDG-ZIAGYGMSSA-N 0 3 371.359 2.746 20 5 FFBDHN COC(=O)c1cc(Br)c(OC2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC001226267257 1034601187 /nfs/dbraw/zinc/60/11/87/1034601187.db2.gz GWBAFHKCPOYFIS-UHFFFAOYSA-N 0 3 373.203 2.617 20 5 FFBDHN COc1cc(N2CCC(NCc3ccc(F)cn3)CC2)ccc1[N+](=O)[O-] ZINC001256088175 1038372550 /nfs/dbraw/zinc/37/25/50/1038372550.db2.gz CGAIUKIZCFQRGX-UHFFFAOYSA-N 0 3 360.389 2.896 20 5 FFBDHN CN1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)Cc2cccnc21 ZINC001254477135 1040741807 /nfs/dbraw/zinc/74/18/07/1040741807.db2.gz OSGZMCCVKVUZKO-UHFFFAOYSA-N 0 3 367.453 2.911 20 5 FFBDHN O=C(NC1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1)C1CCCC1 ZINC001254600885 1040832775 /nfs/dbraw/zinc/83/27/75/1040832775.db2.gz RXYFIHCAIYRQNK-IBGZPJMESA-N 0 3 357.454 2.833 20 5 FFBDHN O=C1OC2(CCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)c2cccnc21 ZINC001254609585 1040836485 /nfs/dbraw/zinc/83/64/85/1040836485.db2.gz XYBZMVJQWAQICV-MRXNPFEDSA-N 0 3 365.389 2.619 20 5 FFBDHN COC(=O)c1ccc(C2CN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)cc1 ZINC001254612385 1040841104 /nfs/dbraw/zinc/84/11/04/1040841104.db2.gz VVDDQRZMUGJTJF-LJQANCHMSA-N 0 3 352.390 2.948 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCN1C(=O)COc2ccccc21 ZINC001319767613 1045266856 /nfs/dbraw/zinc/26/68/56/1045266856.db2.gz OXHHTXXAHHRSQR-CQSZACIVSA-N 0 3 355.394 2.979 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(Nc2ccccc2)CC1 ZINC001320152524 1045357498 /nfs/dbraw/zinc/35/74/98/1045357498.db2.gz DIOQDCLVLFXYSS-GOSISDBHSA-N 0 3 371.437 2.911 20 5 FFBDHN O=[N+]([O-])c1cccc(-n2ccc(-c3nc([C@H]4CN5CCC4CC5)no3)n2)c1 ZINC001323914450 1045774214 /nfs/dbraw/zinc/77/42/14/1045774214.db2.gz ISUIDHWCHQLCCZ-HNNXBMFYSA-N 0 3 366.381 2.640 20 5 FFBDHN COC(=O)[C@H]1CCC[C@H]1NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC001322682732 1046179696 /nfs/dbraw/zinc/17/96/96/1046179696.db2.gz JXLRIZDDBQVUBE-CMPLNLGQSA-N 0 3 357.204 2.789 20 5 FFBDHN C[C@@]1(CO)C[C@@H](O)CN1Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001332718774 1048526190 /nfs/dbraw/zinc/52/61/90/1048526190.db2.gz USSKWYINLXSSGM-PXAZEXFGSA-N 0 3 366.801 2.826 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCN[C@@H](c3ccc(O)cc3)C2)c2ncccc12 ZINC001307199324 1049985874 /nfs/dbraw/zinc/98/58/74/1049985874.db2.gz KVIMBRNKOVOSDZ-MRXNPFEDSA-N 0 3 350.378 3.000 20 5 FFBDHN CS[C@@H]1CN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC001295851283 1049991659 /nfs/dbraw/zinc/99/16/59/1049991659.db2.gz FCWQFHDVSGCQFE-HUUCEWRRSA-N 0 3 371.890 2.685 20 5 FFBDHN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC[C@H]1NCCc2ccccc21 ZINC001343488011 1052261918 /nfs/dbraw/zinc/26/19/18/1052261918.db2.gz TVQPYEHQQVHMIM-QGZVFWFLSA-N 0 3 357.385 2.670 20 5 FFBDHN O=C(CNCC1(C2(O)CCC2)CCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001308067245 1052398448 /nfs/dbraw/zinc/39/84/48/1052398448.db2.gz ZXYVDPAGWMNDBE-UHFFFAOYSA-N 0 3 367.833 2.862 20 5 FFBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CC[C@H]2[C@@H]1CCCN2CCO ZINC001308140010 1052415545 /nfs/dbraw/zinc/41/55/45/1052415545.db2.gz IXTRLTFLSGXLDB-GJZGRUSLSA-N 0 3 374.268 2.933 20 5 FFBDHN Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000847253517 1055320940 /nfs/dbraw/zinc/32/09/40/1055320940.db2.gz GUJLENLJUISXIK-ZIAGYGMSSA-N 0 3 362.386 2.558 20 5 FFBDHN CC(C)N1CC[C@H](C(=O)Oc2cccc([N+](=O)[O-])c2)[C@@H](c2cnn(C)c2)C1 ZINC000849487702 1056872789 /nfs/dbraw/zinc/87/27/89/1056872789.db2.gz FBLCPNPGHVWRPG-ZWKOTPCHSA-N 0 3 372.425 2.748 20 5 FFBDHN Nc1ncc(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC001443158067 1058184689 /nfs/dbraw/zinc/18/46/89/1058184689.db2.gz GTUIJAFTUZMVNG-INIZCTEOSA-N 0 3 369.425 2.529 20 5 FFBDHN Nc1ncc(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC001443158072 1058185037 /nfs/dbraw/zinc/18/50/37/1058185037.db2.gz GTUIJAFTUZMVNG-MRXNPFEDSA-N 0 3 369.425 2.529 20 5 FFBDHN C[C@H](COC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCCCC1 ZINC000847958186 1058519271 /nfs/dbraw/zinc/51/92/71/1058519271.db2.gz FJDMNUPLNVFWDI-CQSZACIVSA-N 0 3 358.398 2.812 20 5 FFBDHN CN(C)CCONC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC001451416309 1059114029 /nfs/dbraw/zinc/11/40/29/1059114029.db2.gz KUEXKYJXYQMAEH-UHFFFAOYSA-N 0 3 361.423 2.969 20 5 FFBDHN C[C@]1(NC(=O)c2ccc([N+](=O)[O-])cc2N)CCN(Cc2ccccc2)C1 ZINC001452735223 1059288133 /nfs/dbraw/zinc/28/81/33/1059288133.db2.gz GBWUNBXUVDVSMJ-IBGZPJMESA-N 0 3 354.410 2.571 20 5 FFBDHN COCCN1CCC[C@@H](Nc2c3cccc(Cl)c3ncc2[N+](=O)[O-])C1 ZINC001458449378 1060593800 /nfs/dbraw/zinc/59/38/00/1060593800.db2.gz ZYQUOXVUJHYSCE-GFCCVEGCSA-N 0 3 364.833 2.741 20 5 FFBDHN Cc1ccc(Sc2ccc(CNC[C@H](O)[C@H](C)O)cc2[N+](=O)[O-])cc1 ZINC001461670189 1061372342 /nfs/dbraw/zinc/37/23/42/1061372342.db2.gz OYJLIIPRFLRAGM-GUYCJALGSA-N 0 3 362.451 2.886 20 5 FFBDHN COc1c(O)ccc(CNCC2(C(=O)OC(C)(C)C)CCC2)c1[N+](=O)[O-] ZINC001462471965 1061638468 /nfs/dbraw/zinc/63/84/68/1061638468.db2.gz NLZFADGAWCDIEH-UHFFFAOYSA-N 0 3 366.414 2.911 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1Cc2c[nH]nc2C[C@H](C)C1 ZINC001473797168 1065365652 /nfs/dbraw/zinc/36/56/52/1065365652.db2.gz NXYJMITYFBBGEB-LBPRGKRZSA-N 0 3 357.414 2.649 20 5 FFBDHN COc1ccc(CNCC2(NC(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC001474282301 1065483681 /nfs/dbraw/zinc/48/36/81/1065483681.db2.gz SUCMORCSZPEDNR-UHFFFAOYSA-N 0 3 351.403 2.750 20 5 FFBDHN Cc1cc(S(=O)(=O)N(C)CC[C@@H]2CCCCN2C)c(F)cc1[N+](=O)[O-] ZINC001475024047 1065677174 /nfs/dbraw/zinc/67/71/74/1065677174.db2.gz ZVBGSJMGWKZQTN-ZDUSSCGKSA-N 0 3 373.450 2.537 20 5 FFBDHN O=C(NC[C@H]1Cc2ccccc2CN1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC001580672006 1078845585 /nfs/dbraw/zinc/84/55/85/1078845585.db2.gz YXWXKRUVRIXYFJ-CQSZACIVSA-N 0 3 350.378 2.520 20 5 FFBDHN CN(C)[C@@H]1C[C@@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC001557698917 1075875695 /nfs/dbraw/zinc/87/56/95/1075875695.db2.gz YJVVVTWHOUDPPP-IAGOWNOFSA-N 0 3 359.426 2.547 20 5 FFBDHN C[C@@H](CN1CCC[C@@H](C)C1)Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001559080731 1076123718 /nfs/dbraw/zinc/12/37/18/1076123718.db2.gz SFLVBJFRNGERJM-KGLIPLIRSA-N 0 3 358.442 2.979 20 5 FFBDHN C[C@H]1CCC[N@H+](CCCCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590261445 1081128768 /nfs/dbraw/zinc/12/87/68/1081128768.db2.gz WJDZZEBGVHIERW-ZDUSSCGKSA-N 0 3 359.434 2.699 20 5 FFBDHN C[C@H]1CCC[N@@H+](CCCCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590261445 1081128771 /nfs/dbraw/zinc/12/87/71/1081128771.db2.gz WJDZZEBGVHIERW-ZDUSSCGKSA-N 0 3 359.434 2.699 20 5 FFBDHN C[C@H]1CCC[N@H+](CCCCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590261445 1081128774 /nfs/dbraw/zinc/12/87/74/1081128774.db2.gz WJDZZEBGVHIERW-ZDUSSCGKSA-N 0 3 359.434 2.699 20 5 FFBDHN C[C@H]1CCC[N@@H+](CCCCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590261445 1081128777 /nfs/dbraw/zinc/12/87/77/1081128777.db2.gz WJDZZEBGVHIERW-ZDUSSCGKSA-N 0 3 359.434 2.699 20 5 FFBDHN Cc1cccc(C(=O)NCC2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000093191485 250020582 /nfs/dbraw/zinc/02/05/82/250020582.db2.gz JYFTUGQWHIRYQA-UHFFFAOYSA-N 0 3 354.410 2.945 20 5 FFBDHN CN(CC1CCN(C)CC1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000103453857 250150944 /nfs/dbraw/zinc/15/09/44/250150944.db2.gz XSBPBMFPULAPKJ-UHFFFAOYSA-N 0 3 374.485 2.611 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCN(CC4CC4)CC3)o2)c1 ZINC000104675277 250183003 /nfs/dbraw/zinc/18/30/03/250183003.db2.gz AHVQCCBLNGWUJG-UHFFFAOYSA-N 0 3 356.426 2.820 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@]1(CO)CCc2ccccc21 ZINC000132486605 251062243 /nfs/dbraw/zinc/06/22/43/251062243.db2.gz OANPWIGPXAEDHX-FQEVSTJZSA-N 0 3 369.421 2.655 20 5 FFBDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000155374585 251153378 /nfs/dbraw/zinc/15/33/78/251153378.db2.gz ZCUMBPWORHGEFQ-HNNXBMFYSA-N 0 3 368.437 2.874 20 5 FFBDHN Cc1ccc(NCCCNC(=O)C2CCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000192589811 251292011 /nfs/dbraw/zinc/29/20/11/251292011.db2.gz LQKVFJBOKZDGEF-UHFFFAOYSA-N 0 3 360.458 2.696 20 5 FFBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000270933112 251664392 /nfs/dbraw/zinc/66/43/92/251664392.db2.gz LZURLSKJUSSRSG-GFCCVEGCSA-N 0 3 372.425 2.651 20 5 FFBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000272200141 251978950 /nfs/dbraw/zinc/97/89/50/251978950.db2.gz PHJFQNWQPRINFM-AWEZNQCLSA-N 0 3 371.441 2.583 20 5 FFBDHN CN1CC[C@@H]2CCN(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000272474559 252047558 /nfs/dbraw/zinc/04/75/58/252047558.db2.gz IRGQZQWHUKLYML-CZUORRHYSA-N 0 3 366.849 2.526 20 5 FFBDHN C[C@]1(NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCO[C@H]1C1CC1 ZINC000273090943 252213008 /nfs/dbraw/zinc/21/30/08/252213008.db2.gz SPBSTJDUYVGYTK-HOTGVXAUSA-N 0 3 353.806 2.734 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](CO)c1ccc(F)cc1 ZINC000273098735 252215678 /nfs/dbraw/zinc/21/56/78/252215678.db2.gz LOTWBEDPFOFMFZ-QGZVFWFLSA-N 0 3 361.373 2.694 20 5 FFBDHN C[C@@H](CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])N1CCCCC1 ZINC000273150290 252233194 /nfs/dbraw/zinc/23/31/94/252233194.db2.gz LVEVEIPBDXZEKS-ZDUSSCGKSA-N 0 3 355.460 2.675 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1N1CCCC1 ZINC000273526900 252324840 /nfs/dbraw/zinc/32/48/40/252324840.db2.gz QKNBYHSUWVVQOJ-IAGOWNOFSA-N 0 3 374.466 2.728 20 5 FFBDHN CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H](CO)c1ccccc1 ZINC000275450056 256008361 /nfs/dbraw/zinc/00/83/61/256008361.db2.gz ILJJFFKBCDRWJV-KRWDZBQOSA-N 0 3 361.373 2.728 20 5 FFBDHN CS[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1N1CCCC1 ZINC000275703306 256040273 /nfs/dbraw/zinc/04/02/73/256040273.db2.gz JSUVFDOGGPGLNC-HUUCEWRRSA-N 0 3 350.444 2.638 20 5 FFBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000277645601 256221365 /nfs/dbraw/zinc/22/13/65/256221365.db2.gz SEOJFBZXAXPZQJ-QJPKHSJYSA-N 0 3 361.442 2.615 20 5 FFBDHN Cc1cc(N2CCC(C)(C)S(=O)(=O)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000278453273 256314457 /nfs/dbraw/zinc/31/44/57/256314457.db2.gz LSCVWDVELMHUCY-UHFFFAOYSA-N 0 3 363.439 2.855 20 5 FFBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NCCCN2CCCO[C@@H](C)C2)c1 ZINC000278534314 256322472 /nfs/dbraw/zinc/32/24/72/256322472.db2.gz NPOBTWWYQYCSFZ-ZDUSSCGKSA-N 0 3 367.471 2.547 20 5 FFBDHN C[C@H](O)C[C@@H]1CCCCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000286116953 257021091 /nfs/dbraw/zinc/02/10/91/257021091.db2.gz UPBZIHOCPDBYHV-BBRMVZONSA-N 0 3 350.415 2.977 20 5 FFBDHN Cc1nn(C)c(N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c1[N+](=O)[O-] ZINC000286260969 257028137 /nfs/dbraw/zinc/02/81/37/257028137.db2.gz GQKYKSJGPCETBL-IBGZPJMESA-N 0 3 355.442 2.739 20 5 FFBDHN Cc1nn(C)c(NCc2ccc(OC3CCN(C)CC3)cc2)c1[N+](=O)[O-] ZINC000286543202 257042090 /nfs/dbraw/zinc/04/20/90/257042090.db2.gz SZMMOPSPLVKTOF-UHFFFAOYSA-N 0 3 359.430 2.722 20 5 FFBDHN C[C@@H](CN(C)C)NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000286866621 257059171 /nfs/dbraw/zinc/05/91/71/257059171.db2.gz CPRCRAKITWTVKM-KBPBESRZSA-N 0 3 371.441 2.843 20 5 FFBDHN CN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCC(F)(F)CC1 ZINC000287130725 257073646 /nfs/dbraw/zinc/07/36/46/257073646.db2.gz ZWOIZSWNJFRFEW-UHFFFAOYSA-N 0 3 371.340 2.772 20 5 FFBDHN O=C(CCN1CC2(CCC2)[C@@H]1[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000289419089 257280062 /nfs/dbraw/zinc/28/00/62/257280062.db2.gz BSYLRKKCMAFFKJ-AEFFLSMTSA-N 0 3 359.426 2.957 20 5 FFBDHN CCCN(CCN1CCCC1)C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000289677685 257293644 /nfs/dbraw/zinc/29/36/44/257293644.db2.gz MUPCANFQAUIAKC-UHFFFAOYSA-N 0 3 365.430 2.560 20 5 FFBDHN CCC[C@]1(CO)CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000290266984 257322758 /nfs/dbraw/zinc/32/27/58/257322758.db2.gz XJHPFXBRTDTOMF-IBGZPJMESA-N 0 3 358.442 2.980 20 5 FFBDHN COCCN1CCC(Nc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000301130655 258028019 /nfs/dbraw/zinc/02/80/19/258028019.db2.gz YAJVIZMYDOVUJZ-UHFFFAOYSA-N 0 3 371.441 2.883 20 5 FFBDHN CN(C)CC1(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CCCC1 ZINC000302137052 258090544 /nfs/dbraw/zinc/09/05/44/258090544.db2.gz BSHHGIPOQLPXPU-UHFFFAOYSA-N 0 3 355.460 2.532 20 5 FFBDHN C[C@H]1CCC[C@](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)(N(C)C)C1 ZINC000302632115 258107096 /nfs/dbraw/zinc/10/70/96/258107096.db2.gz JLKSGGMQSTYZBH-GUYCJALGSA-N 0 3 369.487 2.921 20 5 FFBDHN CCC[NH+]1CCC(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC1 ZINC000330412417 258163621 /nfs/dbraw/zinc/16/36/21/258163621.db2.gz LZHIHBBVVMLDAX-UHFFFAOYSA-N 0 3 369.487 2.612 20 5 FFBDHN CCN1C[C@@H](C)N(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000331338420 258182703 /nfs/dbraw/zinc/18/27/03/258182703.db2.gz JLLUXJGXZKSLPI-VXGBXAGGSA-N 0 3 354.838 2.601 20 5 FFBDHN CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1N1CCCC1 ZINC000332071459 258212725 /nfs/dbraw/zinc/21/27/25/258212725.db2.gz CIQDZRTUEVQHLS-GJZGRUSLSA-N 0 3 369.874 2.900 20 5 FFBDHN C[C@@H]1CCCN(c2ccc(C(=O)N3CCC[C@@H](N(C)C)C3)cc2[N+](=O)[O-])C1 ZINC000332378581 258227925 /nfs/dbraw/zinc/22/79/25/258227925.db2.gz NTTVVAQSTIAELO-NVXWUHKLSA-N 0 3 374.485 2.997 20 5 FFBDHN CCN(CC)CCN(CC(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066000358 506409105 /nfs/dbraw/zinc/40/91/05/506409105.db2.gz LSZIGHCBFZZYIW-UHFFFAOYSA-N 0 3 363.505 2.645 20 5 FFBDHN COc1cc(OCC(=O)Nc2cccc(CN(C)C)c2)ccc1[N+](=O)[O-] ZINC000066021649 506411133 /nfs/dbraw/zinc/41/11/33/506411133.db2.gz DLCLPGYSQXMMJV-UHFFFAOYSA-N 0 3 359.382 2.683 20 5 FFBDHN CN(C)CCN(Cc1ccccc1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000054645425 506594466 /nfs/dbraw/zinc/59/44/66/506594466.db2.gz QRSIJXPYAGWQQE-UHFFFAOYSA-N 0 3 370.453 2.911 20 5 FFBDHN CC(C)N1CCC(N(C)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000067034082 506732444 /nfs/dbraw/zinc/73/24/44/506732444.db2.gz CPRKPDRKHDVWOM-UHFFFAOYSA-N 0 3 371.441 2.725 20 5 FFBDHN COc1ccc(CC(=O)NCCCN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000067794983 507010815 /nfs/dbraw/zinc/01/08/15/507010815.db2.gz FRNMUTBORHHECO-UHFFFAOYSA-N 0 3 371.437 2.784 20 5 FFBDHN CCOc1ccc([C@H](C)N[C@H]2CCN(c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000371313972 512323591 /nfs/dbraw/zinc/32/35/91/512323591.db2.gz PJYIRYOAXSKZCH-ZFWWWQNUSA-N 0 3 359.430 2.657 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCN1CCC(C)CC1 ZINC000068353228 507198645 /nfs/dbraw/zinc/19/86/45/507198645.db2.gz VHMNHHUTRVNLFI-ZDUSSCGKSA-N 0 3 369.849 2.864 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC1(N(C)C)CCCCCC1 ZINC000058561588 507436403 /nfs/dbraw/zinc/43/64/03/507436403.db2.gz UCJPNZBUNYVRIP-UHFFFAOYSA-N 0 3 369.487 2.836 20 5 FFBDHN COc1ccc(CN(C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1C ZINC000071959597 507730153 /nfs/dbraw/zinc/73/01/53/507730153.db2.gz WYRVPTZTTRAKTR-KRWDZBQOSA-N 0 3 360.410 2.784 20 5 FFBDHN CCOCCCNC(=O)C1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000051738960 507782781 /nfs/dbraw/zinc/78/27/81/507782781.db2.gz JHGITTBTFYQAHZ-UHFFFAOYSA-N 0 3 363.458 2.658 20 5 FFBDHN Cc1ccc([C@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])N(C)C)cc1 ZINC000064114218 507784880 /nfs/dbraw/zinc/78/48/80/507784880.db2.gz PQXGCMDSEZMQHR-SFHVURJKSA-N 0 3 367.409 2.855 20 5 FFBDHN COc1cc(C(=O)Nc2ccc(CN(C)C)cc2)c([N+](=O)[O-])cc1OC ZINC000029951983 507797475 /nfs/dbraw/zinc/79/74/75/507797475.db2.gz LLYCWMXEDDVUAW-UHFFFAOYSA-N 0 3 359.382 2.926 20 5 FFBDHN Cc1cnn(CCCCCN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000072665106 507840029 /nfs/dbraw/zinc/84/00/29/507840029.db2.gz GWRQZEACZPGBLE-INIZCTEOSA-N 0 3 358.446 2.851 20 5 FFBDHN C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]3)cc2)C1 ZINC000072932659 507873924 /nfs/dbraw/zinc/87/39/24/507873924.db2.gz PVNXQBYEKJDGDI-CYBMUJFWSA-N 0 3 358.398 2.896 20 5 FFBDHN C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]3)cc2)C1 ZINC000072932659 507873927 /nfs/dbraw/zinc/87/39/27/507873927.db2.gz PVNXQBYEKJDGDI-CYBMUJFWSA-N 0 3 358.398 2.896 20 5 FFBDHN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H]1CCN(CC2CC2)C1 ZINC000108505983 507899698 /nfs/dbraw/zinc/89/96/98/507899698.db2.gz ITIAGLHGQUUXEY-LLVKDONJSA-N 0 3 370.356 2.802 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@@H](c3nncn3C3CC3)C2)cc1 ZINC000091629123 507997720 /nfs/dbraw/zinc/99/77/20/507997720.db2.gz XVIMBUMUGGURQE-CQSZACIVSA-N 0 3 357.414 2.780 20 5 FFBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCCN2CC)cc1OC ZINC000110996520 508063880 /nfs/dbraw/zinc/06/38/80/508063880.db2.gz IWMRKWZDOVCOHK-ZDUSSCGKSA-N 0 3 365.430 2.606 20 5 FFBDHN CCCCN(C)CCNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000112310550 508173264 /nfs/dbraw/zinc/17/32/64/508173264.db2.gz RHBXJWNEXICZCD-LBPRGKRZSA-N 0 3 357.838 2.864 20 5 FFBDHN C[C@@H]1CN(CCCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000083028550 508233189 /nfs/dbraw/zinc/23/31/89/508233189.db2.gz GHWFALIZIDJAHT-BETUJISGSA-N 0 3 369.849 2.867 20 5 FFBDHN Cc1nn(C)c(C(=O)Nc2cccc(CN3CCCCC3)c2)c1[N+](=O)[O-] ZINC000098098385 508234256 /nfs/dbraw/zinc/23/42/56/508234256.db2.gz PETQSJACRLKRQE-UHFFFAOYSA-N 0 3 357.414 2.875 20 5 FFBDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087159788 508340317 /nfs/dbraw/zinc/34/03/17/508340317.db2.gz DLFWNDBEQPSAFN-SFHVURJKSA-N 0 3 355.438 2.817 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000106317524 508399007 /nfs/dbraw/zinc/39/90/07/508399007.db2.gz JODBIPFOZHJHBQ-OLZOCXBDSA-N 0 3 350.419 2.845 20 5 FFBDHN Cc1c(NC(=O)CCN2CC[C@H](Oc3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000156394437 508414128 /nfs/dbraw/zinc/41/41/28/508414128.db2.gz AXDHNQJZERCPOJ-INIZCTEOSA-N 0 3 370.409 2.780 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CN1C1CC1 ZINC000133779521 508447994 /nfs/dbraw/zinc/44/79/94/508447994.db2.gz MZMQTUPOBVSRRH-SKDRFNHKSA-N 0 3 357.332 2.969 20 5 FFBDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000134023771 508482934 /nfs/dbraw/zinc/48/29/34/508482934.db2.gz OPUCOSVWFBWQJA-INIZCTEOSA-N 0 3 359.401 2.566 20 5 FFBDHN CN(C)[C@H]1CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116746902 508554664 /nfs/dbraw/zinc/55/46/64/508554664.db2.gz HEUKDUWGYCRNBF-ZDUSSCGKSA-N 0 3 355.822 2.570 20 5 FFBDHN C[C@H]1C[C@@H](N(C)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CCN1C ZINC000122833382 508593680 /nfs/dbraw/zinc/59/36/80/508593680.db2.gz WSQARMJTRPPPTF-RDJZCZTQSA-N 0 3 374.485 2.752 20 5 FFBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc(CN2CCCC2)ccc1C ZINC000128551011 508610097 /nfs/dbraw/zinc/61/00/97/508610097.db2.gz WORMBFNDAWZMBG-UHFFFAOYSA-N 0 3 357.414 2.643 20 5 FFBDHN O=[N+]([O-])c1cc(CNCC2(CO)COC2)ccc1Oc1ccc(F)cc1 ZINC000123058666 508629719 /nfs/dbraw/zinc/62/97/19/508629719.db2.gz YVSMSIVWSLJUIW-UHFFFAOYSA-N 0 3 362.357 2.625 20 5 FFBDHN CC(C)N1C[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000154266987 508748727 /nfs/dbraw/zinc/74/87/27/508748727.db2.gz HCPPXYHMOGMXAA-HZMBPMFUSA-N 0 3 370.247 2.816 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CN1Cc1ccccc1 ZINC000137495569 508758668 /nfs/dbraw/zinc/75/86/68/508758668.db2.gz MRNWPIYBWQNBGX-DZGCQCFKSA-N 0 3 354.410 2.570 20 5 FFBDHN CCN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)Cc1ccccn1 ZINC000119712072 508849358 /nfs/dbraw/zinc/84/93/58/508849358.db2.gz WRHFQLPVAVSXBQ-UHFFFAOYSA-N 0 3 356.382 2.810 20 5 FFBDHN NC(=O)[C@H]1CCC[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000120081423 508924590 /nfs/dbraw/zinc/92/45/90/508924590.db2.gz KOVACGMFHHNFJR-WCQYABFASA-N 0 3 360.439 2.852 20 5 FFBDHN CC(C)N1C[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000155599889 509035148 /nfs/dbraw/zinc/03/51/48/509035148.db2.gz IWOGOPDOCXJNGW-HOCLYGCPSA-N 0 3 360.458 2.654 20 5 FFBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@H](c2nnc3ccccn32)C1 ZINC000155781936 509071101 /nfs/dbraw/zinc/07/11/01/509071101.db2.gz PNQYHKLJFKINJB-HNNXBMFYSA-N 0 3 367.409 2.896 20 5 FFBDHN CN(C)Cc1cccc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000155794243 509073381 /nfs/dbraw/zinc/07/33/81/509073381.db2.gz WRHJTUFWTDQWCY-UHFFFAOYSA-N 0 3 368.437 2.619 20 5 FFBDHN CC(C)N(CCN(C)C)C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000151774732 509080681 /nfs/dbraw/zinc/08/06/81/509080681.db2.gz LVMGJIMTXLFWMV-LBPRGKRZSA-N 0 3 357.838 2.814 20 5 FFBDHN C[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1COc2ccccc21 ZINC000185595090 509256550 /nfs/dbraw/zinc/25/65/50/509256550.db2.gz MCGDLCQBOPSQEO-CXAGYDPISA-N 0 3 367.405 2.638 20 5 FFBDHN CCOc1cccc2cc([C@@H](C)NC[C@H](O)Cn3cc([N+](=O)[O-])cn3)oc21 ZINC000182649458 509350366 /nfs/dbraw/zinc/35/03/66/509350366.db2.gz SFOFAGRMYDIBGD-DOMZBBRYSA-N 0 3 374.397 2.648 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCC(CN3CCOCC3)CC2)c2ncccc12 ZINC000267193345 509387288 /nfs/dbraw/zinc/38/72/88/509387288.db2.gz HTUFWGPGYWFSRH-UHFFFAOYSA-N 0 3 356.426 2.692 20 5 FFBDHN C[C@@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[C@H](N)c1ccccc1 ZINC000163580854 509396133 /nfs/dbraw/zinc/39/61/33/509396133.db2.gz HHARYAOBDCRPGR-BEFAXECRSA-N 0 3 368.437 2.580 20 5 FFBDHN CCN(CC)CCC[C@H](C)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000179561890 509514139 /nfs/dbraw/zinc/51/41/39/509514139.db2.gz ROHJNDVYZHUGIZ-NSHDSACASA-N 0 3 363.505 2.982 20 5 FFBDHN COc1cc(N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000186166028 509555273 /nfs/dbraw/zinc/55/52/73/509555273.db2.gz ULSPNXDCXYNLQI-HXUWFJFHSA-N 0 3 371.437 2.677 20 5 FFBDHN COC(=O)[C@@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C ZINC000249119392 509611374 /nfs/dbraw/zinc/61/13/74/509611374.db2.gz SMTIKIQJZILMKB-CZUORRHYSA-N 0 3 373.409 2.923 20 5 FFBDHN C[C@@H]1CN(CCCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000176704216 509649817 /nfs/dbraw/zinc/64/98/17/509649817.db2.gz OCMGRWQQVOUTFJ-XKQHDHNFSA-N 0 3 361.442 2.614 20 5 FFBDHN CCN(CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C1CC1 ZINC000267944648 509681977 /nfs/dbraw/zinc/68/19/77/509681977.db2.gz ORSDJTBXNSDFAG-UHFFFAOYSA-N 0 3 374.210 2.711 20 5 FFBDHN C[C@H]1CN(CCCCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@H](C)O1 ZINC000267960520 509689669 /nfs/dbraw/zinc/68/96/69/509689669.db2.gz DLSIWYQWBDFLAO-KBPBESRZSA-N 0 3 374.441 2.695 20 5 FFBDHN CN(CCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000264776737 509698766 /nfs/dbraw/zinc/69/87/66/509698766.db2.gz LMMLTCCFOWTQEO-UHFFFAOYSA-N 0 3 371.363 2.579 20 5 FFBDHN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCCNCC3)cc2[N+](=O)[O-])C1 ZINC000237712733 509717433 /nfs/dbraw/zinc/71/74/33/509717433.db2.gz IRMDAXYZSILWNU-GJZGRUSLSA-N 0 3 360.458 2.513 20 5 FFBDHN CN(CC1CCN(C)CC1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268127862 509771948 /nfs/dbraw/zinc/77/19/48/509771948.db2.gz SEZAUNWPJMCFJZ-UHFFFAOYSA-N 0 3 354.838 2.731 20 5 FFBDHN CCN(C)CCNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000264914915 509772657 /nfs/dbraw/zinc/77/26/57/509772657.db2.gz OEHHPRSEJWFLOV-CQSZACIVSA-N 0 3 371.441 2.844 20 5 FFBDHN CN1CC[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccccc1 ZINC000180146835 509778675 /nfs/dbraw/zinc/77/86/75/509778675.db2.gz KAUABHDMDALFDP-AEFFLSMTSA-N 0 3 365.393 2.646 20 5 FFBDHN Cc1ccc([C@@H](CNCc2ccc([N+](=O)[O-])cc2C)N2CCOCC2)o1 ZINC000183426633 509782376 /nfs/dbraw/zinc/78/23/76/509782376.db2.gz MUCFCNWDMBIJFU-GOSISDBHSA-N 0 3 359.426 2.968 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCN(C4CCC4)CC3)o2)c1 ZINC000265126633 509874437 /nfs/dbraw/zinc/87/44/37/509874437.db2.gz LKRXSTUPNLQDNQ-UHFFFAOYSA-N 0 3 356.426 2.962 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)CN1C1CC1 ZINC000177172963 509917619 /nfs/dbraw/zinc/91/76/19/509917619.db2.gz YAQPJSDDWLWLIS-VHSXEESVSA-N 0 3 368.231 2.712 20 5 FFBDHN C[C@H]1CCCN(CCNC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000180531317 509969792 /nfs/dbraw/zinc/96/97/92/509969792.db2.gz AMKFTGFBTZPLDF-NSHDSACASA-N 0 3 370.247 2.819 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000193585240 509977446 /nfs/dbraw/zinc/97/74/46/509977446.db2.gz UJWKSWITMCCXQM-CYBMUJFWSA-N 0 3 373.413 2.535 20 5 FFBDHN CC[C@]1(CO)CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000190214105 510008381 /nfs/dbraw/zinc/00/83/81/510008381.db2.gz DNTRSECHQREIJK-IBGZPJMESA-N 0 3 358.442 2.980 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1CN(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000190310382 510054883 /nfs/dbraw/zinc/05/48/83/510054883.db2.gz UAVBDTDWEAHHRR-NRFANRHFSA-N 0 3 369.465 2.972 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCN(C)Cc1ccccc1 ZINC000193856338 510102166 /nfs/dbraw/zinc/10/21/66/510102166.db2.gz YOHBTCZDYDABOL-UHFFFAOYSA-N 0 3 372.425 2.535 20 5 FFBDHN CCN1CCN(c2cccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)c2)CC1 ZINC000184254184 510221701 /nfs/dbraw/zinc/22/17/01/510221701.db2.gz RYGXLOFMMJREPM-UHFFFAOYSA-N 0 3 368.437 2.918 20 5 FFBDHN CCc1oc2ccccc2c1CN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174693838 510255354 /nfs/dbraw/zinc/25/53/54/510255354.db2.gz ZJVRHAOEABHOID-CQSZACIVSA-N 0 3 358.398 2.593 20 5 FFBDHN N[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccccc1 ZINC000269172474 510272299 /nfs/dbraw/zinc/27/22/99/510272299.db2.gz JSWXDARMFLAJSD-QGZVFWFLSA-N 0 3 354.410 2.625 20 5 FFBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000184340460 510272951 /nfs/dbraw/zinc/27/29/51/510272951.db2.gz VFYDUUQRFPQKQA-UHFFFAOYSA-N 0 3 374.466 2.881 20 5 FFBDHN Cc1c([C@@H](C)NCc2ccc(N3CCN(C)CC3)nc2)cccc1[N+](=O)[O-] ZINC000177826805 510275978 /nfs/dbraw/zinc/27/59/78/510275978.db2.gz XSHHBAMURBQFQV-MRXNPFEDSA-N 0 3 369.469 2.901 20 5 FFBDHN C[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(N2CCOC2=O)c1 ZINC000181314240 510351533 /nfs/dbraw/zinc/35/15/33/510351533.db2.gz OWVGSMNLARDUMC-FZKQIMNGSA-N 0 3 371.393 2.936 20 5 FFBDHN Cc1cc(N2CCN(C3CCOCC3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000181520460 510451654 /nfs/dbraw/zinc/45/16/54/510451654.db2.gz BBWWXADUDOJSCQ-UHFFFAOYSA-N 0 3 356.426 2.752 20 5 FFBDHN C[C@@H](CN1CCCCC1)NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184727530 510487100 /nfs/dbraw/zinc/48/71/00/510487100.db2.gz NTHLIFYBRANHNQ-LBPRGKRZSA-N 0 3 354.838 2.922 20 5 FFBDHN CN(C)C1(CN(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCC1 ZINC000188016708 510549937 /nfs/dbraw/zinc/54/99/37/510549937.db2.gz MKLGMUWIJGYKDH-UHFFFAOYSA-N 0 3 370.247 2.914 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CCN(CC2CCOCC2)CC1 ZINC000175246950 510551088 /nfs/dbraw/zinc/55/10/88/510551088.db2.gz YKWSZRCCOOPILS-UHFFFAOYSA-N 0 3 363.458 2.538 20 5 FFBDHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cccc(N2CCCC2)c1 ZINC000181857983 510629657 /nfs/dbraw/zinc/62/96/57/510629657.db2.gz SMVJPIBIALZGBD-OAHLLOKOSA-N 0 3 356.426 2.708 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000195062283 510655314 /nfs/dbraw/zinc/65/53/14/510655314.db2.gz PRCYLTNKDPFMER-UHFFFAOYSA-N 0 3 354.410 2.945 20 5 FFBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000188267037 510678089 /nfs/dbraw/zinc/67/80/89/510678089.db2.gz ZLOUPVWEVLZGMD-UHFFFAOYSA-N 0 3 369.487 2.708 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(OC3CCCC3)CC2)c1 ZINC000195323801 510782608 /nfs/dbraw/zinc/78/26/08/510782608.db2.gz JBNRWJFPUYKLQO-MRXNPFEDSA-N 0 3 364.442 2.758 20 5 FFBDHN CO[C@H](C)[C@H](C)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000191704572 510793984 /nfs/dbraw/zinc/79/39/84/510793984.db2.gz SHSZARIFKBHESJ-IVZWLZJFSA-N 0 3 363.336 2.954 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H](c3nccs3)C2)c1 ZINC000195343840 510794433 /nfs/dbraw/zinc/79/44/33/510794433.db2.gz ARWDPEUQOYFBJY-DZGCQCFKSA-N 0 3 363.439 2.671 20 5 FFBDHN C[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000182177117 510797592 /nfs/dbraw/zinc/79/75/92/510797592.db2.gz CXSCMZHJZZCMHP-DGCLKSJQSA-N 0 3 352.337 2.964 20 5 FFBDHN CC(C)(C)OC(=O)CCCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000182179589 510798964 /nfs/dbraw/zinc/79/89/64/510798964.db2.gz ZVAMXULFXFCIIC-CQSZACIVSA-N 0 3 364.446 2.988 20 5 FFBDHN CCN(CC)[C@@H](CNC(=O)c1nn(CC)cc1[N+](=O)[O-])c1ccsc1 ZINC000191771412 510823885 /nfs/dbraw/zinc/82/38/85/510823885.db2.gz UNKCFYRYTPAJOZ-ZDUSSCGKSA-N 0 3 365.459 2.686 20 5 FFBDHN CC(C)N(CCc1nccs1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182250140 510833789 /nfs/dbraw/zinc/83/37/89/510833789.db2.gz AQOMBOJFAPGEJB-CQSZACIVSA-N 0 3 365.455 2.744 20 5 FFBDHN CN(C)Cc1cccc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000188582737 510833852 /nfs/dbraw/zinc/83/38/52/510833852.db2.gz USZFFBJKZMBJOU-UHFFFAOYSA-N 0 3 355.394 2.560 20 5 FFBDHN CN(C)c1ccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000263835671 510852012 /nfs/dbraw/zinc/85/20/12/510852012.db2.gz WWOYTSOPHFSUOQ-UHFFFAOYSA-N 0 3 366.425 2.746 20 5 FFBDHN COc1ccccc1C[C@@H](C)N(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247486879 510862747 /nfs/dbraw/zinc/86/27/47/510862747.db2.gz KQKPZJQNADDTID-CRAIPNDOSA-N 0 3 374.437 2.906 20 5 FFBDHN Cn1nccc1[C@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000360306298 510896059 /nfs/dbraw/zinc/89/60/59/510896059.db2.gz WHCSOSOKLCHQHU-AWEZNQCLSA-N 0 3 357.414 2.537 20 5 FFBDHN Cc1cccn2c(=O)cc(CN(C)CCc3ccccc3[N+](=O)[O-])nc12 ZINC000285431422 510904065 /nfs/dbraw/zinc/90/40/65/510904065.db2.gz WRUBJEPRSCXMLW-UHFFFAOYSA-N 0 3 352.394 2.586 20 5 FFBDHN CN1CC[C@]2(CCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000293964410 510912322 /nfs/dbraw/zinc/91/23/22/510912322.db2.gz UCEKATJJXJMODU-INIZCTEOSA-N 0 3 369.874 2.895 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC2CCC(C(F)F)CC2)cc1 ZINC000282282898 510914269 /nfs/dbraw/zinc/91/42/69/510914269.db2.gz LDVNJJCCIODJEV-UHFFFAOYSA-N 0 3 362.398 2.782 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000270977518 511044855 /nfs/dbraw/zinc/04/48/55/511044855.db2.gz WWDNDFVLSBGWEV-UHFFFAOYSA-N 0 3 374.485 2.534 20 5 FFBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000282646043 511059141 /nfs/dbraw/zinc/05/91/41/511059141.db2.gz HLTPKNUUMAWRMT-BLLLJJGKSA-N 0 3 354.834 2.906 20 5 FFBDHN CC(C)N1CCCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000294532392 511094940 /nfs/dbraw/zinc/09/49/40/511094940.db2.gz IYBFTXDWHJMZHJ-UHFFFAOYSA-N 0 3 357.414 2.541 20 5 FFBDHN CCOc1cc(CN(C)C2CCN(c3cnccn3)CC2)ccc1[N+](=O)[O-] ZINC000364833749 511104208 /nfs/dbraw/zinc/10/42/08/511104208.db2.gz LFNNSMCCINLWLT-UHFFFAOYSA-N 0 3 371.441 2.884 20 5 FFBDHN Cc1nc(N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)ncc1[N+](=O)[O-] ZINC000294827740 511190709 /nfs/dbraw/zinc/19/07/09/511190709.db2.gz AFKMDQVUJQZRTR-IBGZPJMESA-N 0 3 353.426 2.796 20 5 FFBDHN COCCCN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000291431370 511194683 /nfs/dbraw/zinc/19/46/83/511194683.db2.gz LSMLAERHYKLWSZ-UHFFFAOYSA-N 0 3 369.849 2.821 20 5 FFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000333984588 511414452 /nfs/dbraw/zinc/41/44/52/511414452.db2.gz CERYVZBOLRYYJN-KOLCDFICSA-N 0 3 370.247 2.878 20 5 FFBDHN COc1ccc(CNC(=O)NC[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000298862907 511435201 /nfs/dbraw/zinc/43/52/01/511435201.db2.gz KJQQTPNQMZWUGU-QGZVFWFLSA-N 0 3 372.425 2.706 20 5 FFBDHN Cc1nccn1CCCN(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000295542500 511439239 /nfs/dbraw/zinc/43/92/39/511439239.db2.gz OLCVGVPOQQTHHH-UHFFFAOYSA-N 0 3 368.397 2.652 20 5 FFBDHN C[C@@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCN(C2CCC2)C1 ZINC000292076629 511455586 /nfs/dbraw/zinc/45/55/86/511455586.db2.gz DAOGSGHNJBSGFS-CQSZACIVSA-N 0 3 371.441 2.951 20 5 FFBDHN Nc1ccc(NCc2ccc(CN3CCC(O)CC3)cc2)c([N+](=O)[O-])c1 ZINC000283770239 511494484 /nfs/dbraw/zinc/49/44/84/511494484.db2.gz OOUJDPHLABXFSP-UHFFFAOYSA-N 0 3 356.426 2.746 20 5 FFBDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000363390001 511520655 /nfs/dbraw/zinc/52/06/55/511520655.db2.gz HQSKLIJHDNPTMO-OAHLLOKOSA-N 0 3 369.425 2.527 20 5 FFBDHN CN1CC[C@]2(CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)C2)C1 ZINC000292699112 511690113 /nfs/dbraw/zinc/69/01/13/511690113.db2.gz QQINZVSRLSAMFZ-INIZCTEOSA-N 0 3 370.356 2.756 20 5 FFBDHN CNc1c(C(=O)N[C@H](C)CN(C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000311379129 511776203 /nfs/dbraw/zinc/77/62/03/511776203.db2.gz APDKPRZGCGACMB-CQSZACIVSA-N 0 3 356.426 2.887 20 5 FFBDHN CN1CC[C@@H]2OCCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@H]2C1 ZINC000284634914 511804126 /nfs/dbraw/zinc/80/41/26/511804126.db2.gz NNJKFACVQCNCDF-HKUYNNGSSA-N 0 3 357.410 2.760 20 5 FFBDHN O=[N+]([O-])c1cccc(CNC[C@H](O)COCc2ccccc2Cl)c1 ZINC000324534053 511838113 /nfs/dbraw/zinc/83/81/13/511838113.db2.gz PYUHKFBWMOMKSD-INIZCTEOSA-N 0 3 350.802 2.916 20 5 FFBDHN C[C@H](NCC(=O)NC[C@H](c1ccccc1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000296745666 511881105 /nfs/dbraw/zinc/88/11/05/511881105.db2.gz PFYWMXXDMOESPP-HNAYVOBHSA-N 0 3 370.453 2.665 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000275078751 512034611 /nfs/dbraw/zinc/03/46/11/512034611.db2.gz CNZMLXQCIXFIEK-NWDGAFQWSA-N 0 3 359.348 2.965 20 5 FFBDHN C[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000293708131 512057568 /nfs/dbraw/zinc/05/75/68/512057568.db2.gz NZVHJNVARJKCFR-HNNXBMFYSA-N 0 3 361.442 2.697 20 5 FFBDHN COc1ccc([C@@H](CO)N(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000411270854 512554539 /nfs/dbraw/zinc/55/45/39/512554539.db2.gz QFEMXPNBQZAEPK-GOSISDBHSA-N 0 3 373.409 2.597 20 5 FFBDHN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000367816827 512674935 /nfs/dbraw/zinc/67/49/35/512674935.db2.gz VWAMBJNNELNOSQ-UHFFFAOYSA-N 0 3 374.485 2.651 20 5 FFBDHN O=C(c1ccc([N+](=O)[O-])cn1)N1CCCN(CCCc2ccccc2)CC1 ZINC000372012250 512678501 /nfs/dbraw/zinc/67/85/01/512678501.db2.gz GYGXWRXUJSIINF-UHFFFAOYSA-N 0 3 368.437 2.771 20 5 FFBDHN C[C@]1(CNC(=O)c2c(N)cccc2[N+](=O)[O-])CCN(Cc2ccccc2)C1 ZINC000374162084 512686141 /nfs/dbraw/zinc/68/61/41/512686141.db2.gz LNHZWTOAZMTGNQ-HXUWFJFHSA-N 0 3 368.437 2.819 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H](C)CN2CCC[C@@H](C)C2)c1F ZINC000411606226 512715068 /nfs/dbraw/zinc/71/50/68/512715068.db2.gz QPIDEKGZICAASE-CHWSQXEVSA-N 0 3 367.421 2.522 20 5 FFBDHN CN1C[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000374301612 512753960 /nfs/dbraw/zinc/75/39/60/512753960.db2.gz KKVJQGDKDAHADR-MOPGFXCFSA-N 0 3 353.422 2.741 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCSC3(CCC3)CC2)c1 ZINC000411855036 512846017 /nfs/dbraw/zinc/84/60/17/512846017.db2.gz JUCJKCAMAYSEQG-OAHLLOKOSA-N 0 3 352.456 2.696 20 5 FFBDHN CO[C@](C)([C@@H](C)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000411979074 512899218 /nfs/dbraw/zinc/89/92/18/512899218.db2.gz ZOHDNYSWLSHERZ-QLJPJBMISA-N 0 3 355.822 2.980 20 5 FFBDHN Cc1cnc(NCC2(O)CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000397587728 512947954 /nfs/dbraw/zinc/94/79/54/512947954.db2.gz HWLIVBHHNGKVOF-UHFFFAOYSA-N 0 3 356.426 2.737 20 5 FFBDHN CN(C)C[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])c2ccccc2O1 ZINC000370503322 512966935 /nfs/dbraw/zinc/96/69/35/512966935.db2.gz RHBGCOKUQORQFF-CYBMUJFWSA-N 0 3 359.357 2.703 20 5 FFBDHN CC(C)Oc1cc(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)ccc1[N+](=O)[O-] ZINC000412357443 513052291 /nfs/dbraw/zinc/05/22/91/513052291.db2.gz DWZRCQIWUCJPRB-IBGZPJMESA-N 0 3 361.442 2.940 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1CNc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000421337358 513228873 /nfs/dbraw/zinc/22/88/73/513228873.db2.gz CALIYALIAJWSBG-UHFFFAOYSA-N 0 3 370.409 2.985 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000428994674 513244792 /nfs/dbraw/zinc/24/47/92/513244792.db2.gz PJOYOFYKABARLM-DHSIGJKJSA-N 0 3 360.458 2.504 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000429022037 513258216 /nfs/dbraw/zinc/25/82/16/513258216.db2.gz RBXIZWHAVKIKAC-QIIPPGSGSA-N 0 3 360.458 2.504 20 5 FFBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN([C@H]2C[C@H]2C)C[C@H](C)C1 ZINC000429023173 513259644 /nfs/dbraw/zinc/25/96/44/513259644.db2.gz DOXPTPZECWZEIZ-ADAWSYLGSA-N 0 3 360.458 2.584 20 5 FFBDHN CC1CCN(c2ccc(C(=O)N(C)C[C@H]3CCCN3C)cc2[N+](=O)[O-])CC1 ZINC000421699283 513375039 /nfs/dbraw/zinc/37/50/39/513375039.db2.gz AWKCRSPEHXOKGQ-QGZVFWFLSA-N 0 3 374.485 2.997 20 5 FFBDHN CN(C[C@@H]1CCCN1C)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000421710156 513382460 /nfs/dbraw/zinc/38/24/60/513382460.db2.gz JDBMOWFXVOQDKS-HNNXBMFYSA-N 0 3 354.410 2.823 20 5 FFBDHN COC(=O)[C@H](CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000425488067 513595448 /nfs/dbraw/zinc/59/54/48/513595448.db2.gz WNAAYSXTOGDUEQ-QGZVFWFLSA-N 0 3 372.425 2.775 20 5 FFBDHN Nc1c(F)c(NCC2(O)CCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000413570933 513719542 /nfs/dbraw/zinc/71/95/42/513719542.db2.gz CJJKOTWJKIVFOD-UHFFFAOYSA-N 0 3 374.416 2.755 20 5 FFBDHN CC(C)Oc1cc(C(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000413620308 513737871 /nfs/dbraw/zinc/73/78/71/513737871.db2.gz AASQFCLTQGYJIX-HOTGVXAUSA-N 0 3 361.442 2.938 20 5 FFBDHN CC1(C)[C@H](NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]2CCCO[C@H]21 ZINC000451478243 513774783 /nfs/dbraw/zinc/77/47/83/513774783.db2.gz JROZBAWRSFZSDS-IUIKQTSFSA-N 0 3 367.833 2.980 20 5 FFBDHN Cc1c(NC(=O)[C@H](C)N2CCNCc3ccccc32)cccc1[N+](=O)[O-] ZINC000430927217 513783802 /nfs/dbraw/zinc/78/38/02/513783802.db2.gz PZQQEDGSIBLHSE-AWEZNQCLSA-N 0 3 354.410 2.840 20 5 FFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C[C@H]1C ZINC000416462477 513784541 /nfs/dbraw/zinc/78/45/41/513784541.db2.gz QPQAACDWGBRDMG-HUUCEWRRSA-N 0 3 369.487 2.705 20 5 FFBDHN CCOc1ccc(NC(=O)CN[C@@H]2[C@H](C)[C@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451494858 513787595 /nfs/dbraw/zinc/78/75/95/513787595.db2.gz GWTIVXMGQKMPNS-JECHBYEQSA-N 0 3 365.430 2.581 20 5 FFBDHN Cc1c(NC(=O)[C@H](C)N[C@H]([C@H](CO)C2CC2)C2CC2)cccc1[N+](=O)[O-] ZINC000451616535 513867793 /nfs/dbraw/zinc/86/77/93/513867793.db2.gz WBSBGKITOAFBFK-PNPHSEOMSA-N 0 3 361.442 2.617 20 5 FFBDHN COc1cc(C(=O)N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000448782569 513896422 /nfs/dbraw/zinc/89/64/22/513896422.db2.gz DZBKIESEVRJTKY-JHJVBQTASA-N 0 3 367.421 2.839 20 5 FFBDHN CN(C)C[C@@H]1CCc2ccccc2N1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000436721530 513955865 /nfs/dbraw/zinc/95/58/65/513955865.db2.gz KSRRYVQHERQOCZ-KRWDZBQOSA-N 0 3 369.421 2.883 20 5 FFBDHN CCOC(=O)[C@@H]1CCC[C@@H]1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000451777250 513974058 /nfs/dbraw/zinc/97/40/58/513974058.db2.gz VYVYCYNFVZOTJW-GUTXKFCHSA-N 0 3 363.414 2.552 20 5 FFBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000449109751 514074921 /nfs/dbraw/zinc/07/49/21/514074921.db2.gz YAUUWDQLOPNQIZ-MAUKXSAKSA-N 0 3 353.422 2.917 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000427095925 514114343 /nfs/dbraw/zinc/11/43/43/514114343.db2.gz ZALMWWCCLFCZDZ-GOEBONIOSA-N 0 3 369.421 2.996 20 5 FFBDHN C[C@@H]1CN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C[C@H]1N(C)C ZINC000444156601 514138669 /nfs/dbraw/zinc/13/86/69/514138669.db2.gz DFUFSVFWDLXSCZ-SJKOYZFVSA-N 0 3 367.424 2.843 20 5 FFBDHN Cc1ccc(CNCCn2cc(Br)ccc2=O)cc1[N+](=O)[O-] ZINC000449378273 514187375 /nfs/dbraw/zinc/18/73/75/514187375.db2.gz QNJMBNMECQBGKF-UHFFFAOYSA-N 0 3 366.215 2.617 20 5 FFBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H]2CCCCN2CCO)o1 ZINC000449389473 514190893 /nfs/dbraw/zinc/19/08/93/514190893.db2.gz DBYAXXNLNYCIDW-OAHLLOKOSA-N 0 3 359.426 2.791 20 5 FFBDHN CN(c1c(C(N)=O)cccc1[N+](=O)[O-])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000420606907 514198907 /nfs/dbraw/zinc/19/89/07/514198907.db2.gz YXXPRBSYWUMQIO-MRXNPFEDSA-N 0 3 368.437 2.795 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000414651136 514222133 /nfs/dbraw/zinc/22/21/33/514222133.db2.gz FEPYCSKXPBBCSL-INIZCTEOSA-N 0 3 356.382 2.612 20 5 FFBDHN C[C@@H]1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCN(C2CC2)C1 ZINC000452169549 514226461 /nfs/dbraw/zinc/22/64/61/514226461.db2.gz GILCMHNRLPPBJK-NSHDSACASA-N 0 3 369.368 2.753 20 5 FFBDHN CCc1ccccc1[C@@H](N)CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417226031 514244707 /nfs/dbraw/zinc/24/47/07/514244707.db2.gz KCSHPTASUAWGHO-SFHVURJKSA-N 0 3 356.426 2.699 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](N(C)C)Cc2ccccc21 ZINC000427597522 514261193 /nfs/dbraw/zinc/26/11/93/514261193.db2.gz VPZPOLJDGPXZSX-HNNXBMFYSA-N 0 3 355.394 2.737 20 5 FFBDHN Cn1ccnc1[C@H](NCCN1CCCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000449784685 514352355 /nfs/dbraw/zinc/35/23/55/514352355.db2.gz YFMKXFYOAUHOOW-QGZVFWFLSA-N 0 3 357.458 2.882 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCN(C3CC3)C[C@@H](C)C2)c1 ZINC000452567246 514405982 /nfs/dbraw/zinc/40/59/82/514405982.db2.gz CARRXPMTNQPWPM-OAHLLOKOSA-N 0 3 361.442 2.615 20 5 FFBDHN Cc1ccc(S(=O)(=O)N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000470615178 514550283 /nfs/dbraw/zinc/55/02/83/514550283.db2.gz USRMEGASIZINGR-RBSFLKMASA-N 0 3 369.487 2.548 20 5 FFBDHN CC[C@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000453141954 514556153 /nfs/dbraw/zinc/55/61/53/514556153.db2.gz JYCFXTIETHTZQG-ZDUSSCGKSA-N 0 3 369.468 2.676 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000484653704 514733030 /nfs/dbraw/zinc/73/30/30/514733030.db2.gz QUPWCFCCCXLBAX-CABCVRRESA-N 0 3 357.414 2.812 20 5 FFBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccnc(OCCN(C)C)c1 ZINC000471101934 514752511 /nfs/dbraw/zinc/75/25/11/514752511.db2.gz RQEVVDLXBGDYBP-UHFFFAOYSA-N 0 3 374.397 2.581 20 5 FFBDHN COc1c(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000476310139 514994186 /nfs/dbraw/zinc/99/41/86/514994186.db2.gz UKMBMLZRWHSLAG-ZBFHGGJFSA-N 0 3 369.421 2.996 20 5 FFBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000485348546 515005936 /nfs/dbraw/zinc/00/59/36/515005936.db2.gz LPGCGDDFLAVHEF-STQMWFEESA-N 0 3 367.471 2.546 20 5 FFBDHN CCO[C@@H]1C[C@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCCCC2 ZINC000503425865 515029686 /nfs/dbraw/zinc/02/96/86/515029686.db2.gz MNTUBUUNJGXYCT-DLBZAZTESA-N 0 3 361.442 2.911 20 5 FFBDHN CC1CCN([C@@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)c2cccs2)CC1 ZINC000503478898 515046878 /nfs/dbraw/zinc/04/68/78/515046878.db2.gz JOPPGXKRWMPWFZ-ZDUSSCGKSA-N 0 3 363.443 2.582 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462491879 515083054 /nfs/dbraw/zinc/08/30/54/515083054.db2.gz SQHTYXHIMIPMHF-YOEHRIQHSA-N 0 3 368.437 2.885 20 5 FFBDHN CN(C)Cc1ccc(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cc1 ZINC000485547993 515084339 /nfs/dbraw/zinc/08/43/39/515084339.db2.gz IUMRPNLADGQDAR-UHFFFAOYSA-N 0 3 363.364 2.794 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000456325124 515094694 /nfs/dbraw/zinc/09/46/94/515094694.db2.gz FRQJSZKVBMMFDW-HNNXBMFYSA-N 0 3 356.426 2.527 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000467810749 515131140 /nfs/dbraw/zinc/13/11/40/515131140.db2.gz GPHAXUGSZKJVRF-FZMZJTMJSA-N 0 3 367.833 2.616 20 5 FFBDHN CCOc1cc(NC[C@@H](O)CN2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000486160693 515360663 /nfs/dbraw/zinc/36/06/63/515360663.db2.gz CNCPCZSNYHDDRC-GOSISDBHSA-N 0 3 371.437 2.825 20 5 FFBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000468473559 515374354 /nfs/dbraw/zinc/37/43/54/515374354.db2.gz YEIKWWJJYHTLBR-QGZVFWFLSA-N 0 3 358.442 2.855 20 5 FFBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000468488421 515382378 /nfs/dbraw/zinc/38/23/78/515382378.db2.gz PLZANJGXQHHRAU-KRWDZBQOSA-N 0 3 371.441 2.631 20 5 FFBDHN COCCN1CC[C@H](N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000492146010 515505398 /nfs/dbraw/zinc/50/53/98/515505398.db2.gz YCINQAZKALPDKW-AZUAARDMSA-N 0 3 355.438 2.995 20 5 FFBDHN CCc1n[nH]c(C(=O)N[C@@H](C)[C@H](c2ccccc2C)N(C)C)c1[N+](=O)[O-] ZINC000510526479 515569215 /nfs/dbraw/zinc/56/92/15/515569215.db2.gz STLIDIBYAUQEKH-BLLLJJGKSA-N 0 3 359.430 2.610 20 5 FFBDHN CC(=Cc1cccc([N+](=O)[O-])c1)CNc1ccn(C2CCN(C)CC2)n1 ZINC000486804815 515641370 /nfs/dbraw/zinc/64/13/70/515641370.db2.gz WWIPHLNTHFOXGE-QINSGFPZSA-N 0 3 355.442 2.995 20 5 FFBDHN CC(C)N1CC[C@H](N(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000457108680 515655248 /nfs/dbraw/zinc/65/52/48/515655248.db2.gz GDQUANXZHDCIDM-LBPRGKRZSA-N 0 3 370.247 2.912 20 5 FFBDHN COc1ccccc1[C@H]1[C@@H](N)CCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000457362065 515828644 /nfs/dbraw/zinc/82/86/44/515828644.db2.gz LTNJFCHRPAZVBL-PXNSSMCTSA-N 0 3 369.421 2.837 20 5 FFBDHN CN(C)C1(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000474093733 515878204 /nfs/dbraw/zinc/87/82/04/515878204.db2.gz FPIZMKHSVYBFTA-UHFFFAOYSA-N 0 3 360.439 2.932 20 5 FFBDHN Cc1cc(OCC(=O)NC2CCN(C3CC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000506443821 515883552 /nfs/dbraw/zinc/88/35/52/515883552.db2.gz IKPLLJQUYOHYEZ-UHFFFAOYSA-N 0 3 367.833 2.678 20 5 FFBDHN C[C@@H]1CCN(C)CCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501085910 515973373 /nfs/dbraw/zinc/97/33/73/515973373.db2.gz PBNREYXRSXTSGH-SNVBAGLBSA-N 0 3 371.235 2.915 20 5 FFBDHN CCCCOC1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000464857520 515993227 /nfs/dbraw/zinc/99/32/27/515993227.db2.gz UGDYDTGUXFODAX-INIZCTEOSA-N 0 3 352.431 2.616 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000501504941 516130493 /nfs/dbraw/zinc/13/04/93/516130493.db2.gz OSDWFBGASOZICW-QWHCGFSZSA-N 0 3 350.419 2.988 20 5 FFBDHN CC(C)OCCN1CCC(NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000470132978 516134422 /nfs/dbraw/zinc/13/44/22/516134422.db2.gz LMYJCKCIKLVDLU-UHFFFAOYSA-N 0 3 368.409 2.745 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H]1C[C@](C)(OC)C1(C)C ZINC000465402477 516142124 /nfs/dbraw/zinc/14/21/24/516142124.db2.gz HRYMPWOIHCOVKP-GYOIFBIXSA-N 0 3 365.430 2.724 20 5 FFBDHN O=C(NC[C@@H]1CCCCN1C1CC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000470165212 516156867 /nfs/dbraw/zinc/15/68/67/516156867.db2.gz GKJYXNMPDFUDKQ-ZDUSSCGKSA-N 0 3 369.368 2.943 20 5 FFBDHN O=C(CCN1CCc2ccccc2C1)NCCc1cccc([N+](=O)[O-])c1 ZINC000474720787 516169785 /nfs/dbraw/zinc/16/97/85/516169785.db2.gz FBXCHGQBDWVRNA-UHFFFAOYSA-N 0 3 353.422 2.702 20 5 FFBDHN C[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000507328430 516173959 /nfs/dbraw/zinc/17/39/59/516173959.db2.gz HPWJBMGIKUKVHC-GFCCVEGCSA-N 0 3 373.450 2.523 20 5 FFBDHN CCN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000507470139 516219130 /nfs/dbraw/zinc/21/91/30/516219130.db2.gz TXTKTYVFQAQGLF-ZFWWWQNUSA-N 0 3 357.414 2.616 20 5 FFBDHN CCCCN1CCCC[C@@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000488493298 516239938 /nfs/dbraw/zinc/23/99/38/516239938.db2.gz KZIGGQQFICQZIE-CQSZACIVSA-N 0 3 363.414 2.708 20 5 FFBDHN CCn1cc([C@@H]2NC(=O)CC[C@H]2N[C@H](C)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000488502735 516242486 /nfs/dbraw/zinc/24/24/86/516242486.db2.gz IIZYAPPALXUFHN-NRXGSXMXSA-N 0 3 371.441 2.790 20 5 FFBDHN CC(C)(C)[C@H]1C[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000488568128 516262057 /nfs/dbraw/zinc/26/20/57/516262057.db2.gz ARRKJVLKJPZELF-IUODEOHRSA-N 0 3 372.512 2.878 20 5 FFBDHN O=C(Nc1cccc(CN2CCC(O)CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000488669787 516284748 /nfs/dbraw/zinc/28/47/48/516284748.db2.gz BGWASXCMRVWFMV-UHFFFAOYSA-N 0 3 355.394 2.804 20 5 FFBDHN CCN1CCC(N(C)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000517938149 516500111 /nfs/dbraw/zinc/50/01/11/516500111.db2.gz VIQLPDWZHSVKRS-UHFFFAOYSA-N 0 3 374.485 2.754 20 5 FFBDHN COc1ccc(C2(NC[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000540360080 516525208 /nfs/dbraw/zinc/52/52/08/516525208.db2.gz JJPKZBYLBRJFEB-MRXNPFEDSA-N 0 3 358.394 2.622 20 5 FFBDHN CC1CCN([C@@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000547756089 516544308 /nfs/dbraw/zinc/54/43/08/516544308.db2.gz JFOJIIOKROEWRO-INIZCTEOSA-N 0 3 357.414 2.521 20 5 FFBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000558024811 516556258 /nfs/dbraw/zinc/55/62/58/516556258.db2.gz HGBIIFBWBIBQFB-IIAWOOMASA-N 0 3 361.442 2.796 20 5 FFBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000558145443 516614918 /nfs/dbraw/zinc/61/49/18/516614918.db2.gz AJWKZVBSXMSQCM-ROUUACIJSA-N 0 3 371.437 2.934 20 5 FFBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000558145437 516615797 /nfs/dbraw/zinc/61/57/97/516615797.db2.gz AJWKZVBSXMSQCM-MSOLQXFVSA-N 0 3 371.437 2.934 20 5 FFBDHN CCN1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cn3)c(C)c2)CC1 ZINC000531887738 516693572 /nfs/dbraw/zinc/69/35/72/516693572.db2.gz PFXWITGPQZKQHP-UHFFFAOYSA-N 0 3 369.425 2.692 20 5 FFBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(CCN2CCCCCC2)C(C)C)n1 ZINC000561709174 516725488 /nfs/dbraw/zinc/72/54/88/516725488.db2.gz WDAIAMKWMOZFFD-UHFFFAOYSA-N 0 3 351.451 2.538 20 5 FFBDHN CSC1(CNC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CCN(C)CC1 ZINC000518632698 516730708 /nfs/dbraw/zinc/73/07/08/516730708.db2.gz PIZZOGAHUIGQLI-CYBMUJFWSA-N 0 3 366.487 2.782 20 5 FFBDHN CCN1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)[C@H]2C1 ZINC000555207580 516830237 /nfs/dbraw/zinc/83/02/37/516830237.db2.gz KBHHQIXKNJJAMG-ZWKOTPCHSA-N 0 3 368.437 2.956 20 5 FFBDHN COc1ccc(-c2ccc(CN[C@@H]3CCC[C@H](C(N)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000532209792 516859466 /nfs/dbraw/zinc/85/94/66/516859466.db2.gz QVIQTZXQXZFUFV-QWHCGFSZSA-N 0 3 373.409 2.997 20 5 FFBDHN COc1ccc(NC(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000541106684 516879045 /nfs/dbraw/zinc/87/90/45/516879045.db2.gz UPAHZQKNWVBKJU-CHWSQXEVSA-N 0 3 350.419 2.845 20 5 FFBDHN CCCCN1CCCC[C@H]1CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000544720226 516892980 /nfs/dbraw/zinc/89/29/80/516892980.db2.gz LLRWRMNDVGHDKP-INIZCTEOSA-N 0 3 369.487 2.669 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(C[NH+](C)C)CCCC2)c1C ZINC000544726352 516897009 /nfs/dbraw/zinc/89/70/09/516897009.db2.gz IQRJFISOTRFNAF-UHFFFAOYSA-N 0 3 369.487 2.612 20 5 FFBDHN CCN1CCCC[C@H]1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514203299 516902557 /nfs/dbraw/zinc/90/25/57/516902557.db2.gz HTDKLSKJVHZYPQ-LBPRGKRZSA-N 0 3 357.357 2.800 20 5 FFBDHN CC[C@H](C)N[C@H](CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])c1ccco1 ZINC000519658804 517110761 /nfs/dbraw/zinc/11/07/61/517110761.db2.gz DIDWMDOCUKNRBA-NWDGAFQWSA-N 0 3 363.418 2.894 20 5 FFBDHN CC[C@H](NC[C@@H](N1CCOCC1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000514956328 517142619 /nfs/dbraw/zinc/14/26/19/517142619.db2.gz CNGLEFLHOZKMST-LSDHHAIUSA-N 0 3 361.364 2.899 20 5 FFBDHN CN(C)CCOc1cc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])ccn1 ZINC000537341244 517147659 /nfs/dbraw/zinc/14/76/59/517147659.db2.gz RQDYSDAJTXVEGO-UHFFFAOYSA-N 0 3 364.789 2.836 20 5 FFBDHN Cc1c(NC(=O)CCN[C@@H](CO)c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000541951844 517306423 /nfs/dbraw/zinc/30/64/23/517306423.db2.gz LUHCIACBAIQEQQ-INIZCTEOSA-N 0 3 361.373 2.694 20 5 FFBDHN C[C@@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)S(C)(=O)=O ZINC000533129067 517309462 /nfs/dbraw/zinc/30/94/62/517309462.db2.gz WHZQYQMTCNSIIF-NSHDSACASA-N 0 3 354.453 2.846 20 5 FFBDHN C[C@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)S(C)(=O)=O ZINC000533129066 517309962 /nfs/dbraw/zinc/30/99/62/517309962.db2.gz WHZQYQMTCNSIIF-LLVKDONJSA-N 0 3 354.453 2.846 20 5 FFBDHN CCN1CCN(CCC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000552741852 517373885 /nfs/dbraw/zinc/37/38/85/517373885.db2.gz LTBCIJVPRXVYBZ-UHFFFAOYSA-N 0 3 362.474 2.858 20 5 FFBDHN COc1ccc(-c2ccc(CNCCc3ccn(C)n3)o2)c([N+](=O)[O-])c1 ZINC000546170668 517578980 /nfs/dbraw/zinc/57/89/80/517578980.db2.gz LYOGKGHDCOPEKW-UHFFFAOYSA-N 0 3 356.382 2.929 20 5 FFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000542744736 517713908 /nfs/dbraw/zinc/71/39/08/517713908.db2.gz IETPOWHUPMYGRC-DZGCQCFKSA-N 0 3 369.487 2.562 20 5 FFBDHN CC(C)Oc1ccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000549800553 517714400 /nfs/dbraw/zinc/71/44/00/517714400.db2.gz RBLZDCLXCHNNGT-QGZVFWFLSA-N 0 3 360.410 2.912 20 5 FFBDHN C[C@H]1CCCCN1CCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000556874432 517720306 /nfs/dbraw/zinc/72/03/06/517720306.db2.gz JUNQNMJRQSMPFS-MAUKXSAKSA-N 0 3 357.458 2.882 20 5 FFBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCCN(C)Cc1ccco1 ZINC000556882774 517727153 /nfs/dbraw/zinc/72/71/53/517727153.db2.gz CRSGCBJLHLNRHD-OAHLLOKOSA-N 0 3 374.441 2.969 20 5 FFBDHN Cc1cccc(OC[C@H](C)NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000516562953 517744283 /nfs/dbraw/zinc/74/42/83/517744283.db2.gz KJGIAQZLALVFEY-DOTOQJQBSA-N 0 3 360.410 2.700 20 5 FFBDHN C[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC[C@H](C)C1 ZINC000521533254 517765679 /nfs/dbraw/zinc/76/56/79/517765679.db2.gz SHXOTTZEGUEUEF-LSDHHAIUSA-N 0 3 358.442 2.786 20 5 FFBDHN NC(=O)C1CCC(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000522212579 518036266 /nfs/dbraw/zinc/03/62/66/518036266.db2.gz LWJXTEIRRRGMKL-UHFFFAOYSA-N 0 3 360.439 2.852 20 5 FFBDHN CN1CC[C@]2(CCN(C(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)C2)C1 ZINC000563733602 518097106 /nfs/dbraw/zinc/09/71/06/518097106.db2.gz ODVIAVSIKKVCGB-HNNXBMFYSA-N 0 3 357.332 2.781 20 5 FFBDHN CN(C)CCOCCNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000539747060 518153694 /nfs/dbraw/zinc/15/36/94/518153694.db2.gz QGGDZCUHGJAHGY-UHFFFAOYSA-N 0 3 373.409 2.695 20 5 FFBDHN O=C1C[C@@H](CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CN1C1CC1 ZINC000578540226 518258306 /nfs/dbraw/zinc/25/83/06/518258306.db2.gz REVOXOWVSJPKOZ-ZDUSSCGKSA-N 0 3 355.394 2.955 20 5 FFBDHN CC(C)N1CCN([C@@H]2CCN(c3nccc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000572966981 518443264 /nfs/dbraw/zinc/44/32/64/518443264.db2.gz JPTGENGLEYHWFX-GOSISDBHSA-N 0 3 369.469 2.748 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCCc1cc2ccccc2o1 ZINC000584834708 518500777 /nfs/dbraw/zinc/50/07/77/518500777.db2.gz WFKLQSCAJWVZBN-HNNXBMFYSA-N 0 3 356.378 2.913 20 5 FFBDHN C[C@]1(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCN(Cc2ccccc2)C1 ZINC000573124999 518520233 /nfs/dbraw/zinc/52/02/33/518520233.db2.gz RVRMEBXUTFEBRQ-FQEVSTJZSA-N 0 3 353.422 2.918 20 5 FFBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000573284328 518591898 /nfs/dbraw/zinc/59/18/98/518591898.db2.gz VAEKBBMKLSLNFD-OAHLLOKOSA-N 0 3 355.385 2.652 20 5 FFBDHN O=[N+]([O-])c1cccc(Cl)c1CN[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000573286426 518592065 /nfs/dbraw/zinc/59/20/65/518592065.db2.gz BOLLBFZRRDUEPC-RDJZCZTQSA-N 0 3 353.850 2.981 20 5 FFBDHN CC(C)C[C@@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000582137956 518606293 /nfs/dbraw/zinc/60/62/93/518606293.db2.gz NDABLOJDKGMBLD-ROUUACIJSA-N 0 3 359.474 2.984 20 5 FFBDHN COc1cc(C(=O)N2CCCN(C(C)(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000564775841 518608970 /nfs/dbraw/zinc/60/89/70/518608970.db2.gz SJIFEPAPWBGMGC-UHFFFAOYSA-N 0 3 353.394 2.689 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](CO)c1ccccc1C ZINC000576485592 518616594 /nfs/dbraw/zinc/61/65/94/518616594.db2.gz MMAFACAUYHFDOM-QGZVFWFLSA-N 0 3 373.409 2.564 20 5 FFBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)CN(C)Cc1ccccc1 ZINC000586773223 518637374 /nfs/dbraw/zinc/63/73/74/518637374.db2.gz JKPVVXOZEJHRPQ-IBGZPJMESA-N 0 3 357.454 2.562 20 5 FFBDHN C[C@H]1CN(c2ccccc2CNCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000582346047 518707857 /nfs/dbraw/zinc/70/78/57/518707857.db2.gz ISYWDRBKYCANHL-INIZCTEOSA-N 0 3 371.437 2.989 20 5 FFBDHN CCOc1ccc(C(=O)NC[C@@H]2NCCc3ccccc32)cc1[N+](=O)[O-] ZINC000576696577 518718032 /nfs/dbraw/zinc/71/80/32/518718032.db2.gz UZAJRPZEDIFNDS-INIZCTEOSA-N 0 3 355.394 2.610 20 5 FFBDHN C[C@H](Cn1ncc2ccccc2c1=O)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582430558 518750999 /nfs/dbraw/zinc/75/09/99/518750999.db2.gz APEDBVOPAMMAQO-ACJLOTCBSA-N 0 3 364.405 2.970 20 5 FFBDHN CS(=O)(=O)Nc1ccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000565219324 518849380 /nfs/dbraw/zinc/84/93/80/518849380.db2.gz WLLHTHVZUZCIJB-INIZCTEOSA-N 0 3 361.423 2.743 20 5 FFBDHN Cc1csc([C@@H](C)CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000571159390 518956015 /nfs/dbraw/zinc/95/60/15/518956015.db2.gz JORLQGJWHCZOMJ-NSHDSACASA-N 0 3 369.468 2.527 20 5 FFBDHN C[C@H]1CN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000568582042 519109739 /nfs/dbraw/zinc/10/97/39/519109739.db2.gz VAWWGDBTBJMJIS-GFCCVEGCSA-N 0 3 357.414 2.554 20 5 FFBDHN CC(C)Oc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)N(C)C)cc1 ZINC000577672935 519196060 /nfs/dbraw/zinc/19/60/60/519196060.db2.gz BCGHNQUAYHPPAR-MRXNPFEDSA-N 0 3 360.414 2.743 20 5 FFBDHN CCOc1ccc([C@@H]2C[C@H]2NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000583436508 519247202 /nfs/dbraw/zinc/24/72/02/519247202.db2.gz KSJFOLZQVXLFCD-LSTHTHJFSA-N 0 3 372.421 2.879 20 5 FFBDHN Cc1ccc(C)c(OC[C@@H](O)CNCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000574632283 519251857 /nfs/dbraw/zinc/25/18/57/519251857.db2.gz RDFPRMLUXYYAKJ-KRWDZBQOSA-N 0 3 360.410 2.620 20 5 FFBDHN COC(=O)c1ccnc(NC[C@@H](c2ccc(C)cc2)N(C)C)c1[N+](=O)[O-] ZINC000590575866 519272067 /nfs/dbraw/zinc/27/20/67/519272067.db2.gz WPBWYZXKGDWDNK-HNNXBMFYSA-N 0 3 358.398 2.800 20 5 FFBDHN CC[C@H](CN1CCCC1)NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000590669320 519308864 /nfs/dbraw/zinc/30/88/64/519308864.db2.gz DOVBQLKAUWOFCU-CQSZACIVSA-N 0 3 357.414 2.589 20 5 FFBDHN CC[C@@H](C)N[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000583653867 519360048 /nfs/dbraw/zinc/36/00/48/519360048.db2.gz NZXKMVRGDLHWLE-CZUORRHYSA-N 0 3 361.398 2.812 20 5 FFBDHN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CN1C1CC1 ZINC000583666819 519366972 /nfs/dbraw/zinc/36/69/72/519366972.db2.gz SQXBXSHQHPQYIB-UKRRQHHQSA-N 0 3 358.442 2.868 20 5 FFBDHN Cc1ccc(NCCCNC(=O)[C@@H]2CNCc3ccccc32)c([N+](=O)[O-])c1 ZINC000569118021 519388003 /nfs/dbraw/zinc/38/80/03/519388003.db2.gz NCDJDLOYTIFIBU-QGZVFWFLSA-N 0 3 368.437 2.708 20 5 FFBDHN O=[N+]([O-])c1cnc(NC2CCN([C@@H]3CCOC3)CC2)c(C(F)(F)F)c1 ZINC000591150683 519530009 /nfs/dbraw/zinc/53/00/09/519530009.db2.gz MQDSMDLKHPFBOT-LLVKDONJSA-N 0 3 360.336 2.674 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000602848463 519925072 /nfs/dbraw/zinc/92/50/72/519925072.db2.gz VNCCRDVNUCOIGI-GXTWGEPZSA-N 0 3 352.435 2.542 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H](c2cccnc2)C1 ZINC000602856889 519929296 /nfs/dbraw/zinc/92/92/96/519929296.db2.gz STXWIYJJNHQBLB-IRXDYDNUSA-N 0 3 357.410 2.609 20 5 FFBDHN CCC(C)(C)N1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC1 ZINC000594389450 519934061 /nfs/dbraw/zinc/93/40/61/519934061.db2.gz IJMGYLXFANFNFQ-UHFFFAOYSA-N 0 3 371.441 2.931 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@H]1CC13CCSCC3)OCCO2 ZINC000591504083 519934319 /nfs/dbraw/zinc/93/43/19/519934319.db2.gz AIQFTCMQCGMYNJ-CYBMUJFWSA-N 0 3 350.440 2.989 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC=C(c2cnn(C)c2)C1 ZINC000602888866 519951002 /nfs/dbraw/zinc/95/10/02/519951002.db2.gz TUPCMEJNTXHJPN-UHFFFAOYSA-N 0 3 369.425 2.755 20 5 FFBDHN O=[N+]([O-])c1ccccc1OCCN[C@@H](c1ccncc1)C1(CO)CCC1 ZINC000602903929 519963347 /nfs/dbraw/zinc/96/33/47/519963347.db2.gz SVRJODJNHGBJMH-SFHVURJKSA-N 0 3 357.410 2.862 20 5 FFBDHN C[C@](CO)(NC[C@@H](O)Cc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000602963652 519996261 /nfs/dbraw/zinc/99/62/61/519996261.db2.gz YAJVPHFASGFBSV-ZWKOTPCHSA-N 0 3 364.829 2.649 20 5 FFBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@@H]1NCCc2ccccc21 ZINC000591684160 519997394 /nfs/dbraw/zinc/99/73/94/519997394.db2.gz WJZGUJUVCFQUAL-KRWDZBQOSA-N 0 3 357.435 2.690 20 5 FFBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000591686222 519998521 /nfs/dbraw/zinc/99/85/21/519998521.db2.gz VMFCZCPJDHYWBT-ZFWWWQNUSA-N 0 3 358.373 2.768 20 5 FFBDHN Cc1ccsc1CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591758251 520024749 /nfs/dbraw/zinc/02/47/49/520024749.db2.gz MECHSZLBOKWGLD-UHFFFAOYSA-N 0 3 354.453 2.571 20 5 FFBDHN C[C@H](C(=O)N1CCCN(c2ccncc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000603085003 520070806 /nfs/dbraw/zinc/07/08/06/520070806.db2.gz ZGOKWRVXODQLQN-HNNXBMFYSA-N 0 3 354.410 2.832 20 5 FFBDHN CCOC(=O)Cc1ccc(NC[C@]2(N(C)C)CCSC2)c([N+](=O)[O-])c1 ZINC000591919400 520086339 /nfs/dbraw/zinc/08/63/39/520086339.db2.gz ZBQWEXCRDDUEOD-QGZVFWFLSA-N 0 3 367.471 2.550 20 5 FFBDHN Cc1cccc(N2CCN(CCCCNc3ccncc3[N+](=O)[O-])CC2)c1 ZINC000608972713 520170405 /nfs/dbraw/zinc/17/04/05/520170405.db2.gz AYUVZTLNPDGPMO-UHFFFAOYSA-N 0 3 369.469 2.734 20 5 FFBDHN COc1ccc(CNC/C=C/CO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000594974929 520235714 /nfs/dbraw/zinc/23/57/14/520235714.db2.gz NZSLXVUJGYIIFA-NSCUHMNNSA-N 0 3 358.394 2.821 20 5 FFBDHN COc1cc(CNC[C@@H](O)[C@@H](C)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000595000872 520251102 /nfs/dbraw/zinc/25/11/02/520251102.db2.gz ODXMOMVTVMLSHC-SUMWQHHRSA-N 0 3 360.410 2.866 20 5 FFBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1nc(COC)n[nH]1 ZINC000595071364 520279955 /nfs/dbraw/zinc/27/99/55/520279955.db2.gz XYUMHIQOMCZFLN-LLVKDONJSA-N 0 3 351.432 2.520 20 5 FFBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@@H]1CCN1C1CCCC1 ZINC000600470724 520280018 /nfs/dbraw/zinc/28/00/18/520280018.db2.gz IEPLCQXHPGDDRJ-KRWDZBQOSA-N 0 3 356.426 2.683 20 5 FFBDHN CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCN(CC)C1 ZINC000598042841 520391018 /nfs/dbraw/zinc/39/10/18/520391018.db2.gz YWLLCJAEDMOUEE-ZDUSSCGKSA-N 0 3 370.247 2.914 20 5 FFBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](c1cccc(OC)c1)N(C)C ZINC000603929488 520406695 /nfs/dbraw/zinc/40/66/95/520406695.db2.gz MKOYHGQNFOEZIF-SFHVURJKSA-N 0 3 372.425 2.678 20 5 FFBDHN Cc1c(NC(=O)CCN2CCc3ccccc3[C@@H]2CN)cccc1[N+](=O)[O-] ZINC000592494840 520417684 /nfs/dbraw/zinc/41/76/84/520417684.db2.gz ABNMEDTZMNITKY-IBGZPJMESA-N 0 3 368.437 2.790 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000600761440 520454321 /nfs/dbraw/zinc/45/43/21/520454321.db2.gz ZBLBHXWGJBLAGF-IVMMDQJWSA-N 0 3 364.348 2.758 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](CO)[C@@H](C)c1ccccc1 ZINC000613389784 520478486 /nfs/dbraw/zinc/47/84/86/520478486.db2.gz QROVPFFKIJODOP-KSSFIOAISA-N 0 3 357.410 2.596 20 5 FFBDHN Cc1n[nH]c(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000609996194 520499878 /nfs/dbraw/zinc/49/98/78/520499878.db2.gz XPVFFKARRNVCCO-BBRMVZONSA-N 0 3 371.441 2.751 20 5 FFBDHN Cc1[nH]nc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000609996194 520499883 /nfs/dbraw/zinc/49/98/83/520499883.db2.gz XPVFFKARRNVCCO-BBRMVZONSA-N 0 3 371.441 2.751 20 5 FFBDHN CC(C)(C(=O)N1CCN(c2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000610059114 520519842 /nfs/dbraw/zinc/51/98/42/520519842.db2.gz SDRVAGSAEUTHJR-UHFFFAOYSA-N 0 3 354.410 2.616 20 5 FFBDHN CC[C@@H](CN1CCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000610065415 520521923 /nfs/dbraw/zinc/52/19/23/520521923.db2.gz QMENLPQFHXVXCU-NSHDSACASA-N 0 3 370.247 2.962 20 5 FFBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000598266545 520528841 /nfs/dbraw/zinc/52/88/41/520528841.db2.gz ZEORXMKZYQADIQ-HNNXBMFYSA-N 0 3 371.441 2.631 20 5 FFBDHN CCCN1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000598343173 520566364 /nfs/dbraw/zinc/56/63/64/520566364.db2.gz TXAWPDLCWFZPTC-LBPRGKRZSA-N 0 3 370.247 2.500 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H]2c2ccc(O)cc2)c1 ZINC000604484456 520575909 /nfs/dbraw/zinc/57/59/09/520575909.db2.gz OXEBWQAPJBAMPL-MJGOQNOKSA-N 0 3 358.394 2.877 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H]2c2ccc(O)cc2)c1 ZINC000604484455 520575976 /nfs/dbraw/zinc/57/59/76/520575976.db2.gz OXEBWQAPJBAMPL-IEBWSBKVSA-N 0 3 358.394 2.877 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCN(C)CC23CCCCC3)c1 ZINC000593016136 520685974 /nfs/dbraw/zinc/68/59/74/520685974.db2.gz IWQHWZCBFHAQHB-UHFFFAOYSA-N 0 3 361.442 2.832 20 5 FFBDHN COC[C@@](C)(CO)NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000610518956 520725148 /nfs/dbraw/zinc/72/51/48/520725148.db2.gz AMPIBVZAMYGYTN-LJQANCHMSA-N 0 3 359.426 2.850 20 5 FFBDHN CCCN1CC[C@@H](NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000595801027 520734801 /nfs/dbraw/zinc/73/48/01/520734801.db2.gz VPZARTFIKBNQEY-DLBZAZTESA-N 0 3 360.458 2.968 20 5 FFBDHN COC(=O)c1ccnc(N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000598613953 520743575 /nfs/dbraw/zinc/74/35/75/520743575.db2.gz ZYUOWPVQFKBJDM-DZGCQCFKSA-N 0 3 370.409 2.851 20 5 FFBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CCN1CCCCC1 ZINC000593112939 520754305 /nfs/dbraw/zinc/75/43/05/520754305.db2.gz SHCGAEWPCYAZBC-ZDUSSCGKSA-N 0 3 368.865 2.993 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593128357 520766751 /nfs/dbraw/zinc/76/67/51/520766751.db2.gz GWHKKUNERRLRSK-KDOFPFPSSA-N 0 3 371.412 2.913 20 5 FFBDHN CC(C)CN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000593156434 520787202 /nfs/dbraw/zinc/78/72/02/520787202.db2.gz AOTFTECSDVBKCV-UHFFFAOYSA-N 0 3 351.422 2.855 20 5 FFBDHN CCCN(CCn1c(C)ncc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000610782879 520841853 /nfs/dbraw/zinc/84/18/53/520841853.db2.gz LENAXISBHUOYJS-OAHLLOKOSA-N 0 3 360.414 2.652 20 5 FFBDHN COC(=O)c1c(Cl)c(N2CC[C@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000596104655 520913722 /nfs/dbraw/zinc/91/37/22/520913722.db2.gz KLDRSRFQEWELHE-NSHDSACASA-N 0 3 353.806 2.709 20 5 FFBDHN CN1CCC(n2cc(NC(=O)CCc3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000601778907 520947268 /nfs/dbraw/zinc/94/72/68/520947268.db2.gz WBAVKWWYCRXQKD-UHFFFAOYSA-N 0 3 357.414 2.629 20 5 FFBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@H](C)CN1Cc1ccccc1 ZINC000596176213 520953488 /nfs/dbraw/zinc/95/34/88/520953488.db2.gz BBYSXHJNSPSKBM-HUUCEWRRSA-N 0 3 368.437 2.793 20 5 FFBDHN COC(=O)c1c(Cl)c(N2C[C@H](SC)[C@@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000596178055 520954355 /nfs/dbraw/zinc/95/43/55/520954355.db2.gz KMSVOLWIDLKIMF-RYUDHWBXSA-N 0 3 373.862 2.517 20 5 FFBDHN CN(c1ccccc1)c1ccc(CNC[C@@H](O)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000598986438 520960200 /nfs/dbraw/zinc/96/02/00/520960200.db2.gz ABWCXUJRIJWUFC-WOJBJXKFSA-N 0 3 371.437 2.992 20 5 FFBDHN CN(c1ccccc1)c1ccc(CN[C@@H]2CCOC[C@H]2O)cc1[N+](=O)[O-] ZINC000599010491 520977956 /nfs/dbraw/zinc/97/79/56/520977956.db2.gz AELHCKIJWQJGEG-VQIMIIECSA-N 0 3 357.410 2.602 20 5 FFBDHN C[C@H]1CCCCN1CCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599074195 521015749 /nfs/dbraw/zinc/01/57/49/521015749.db2.gz UDNIHFPFJCGIAD-NSHDSACASA-N 0 3 370.247 2.962 20 5 FFBDHN C[C@@H](NC[C@H]1CN(Cc2ccncc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000599087241 521025287 /nfs/dbraw/zinc/02/52/87/521025287.db2.gz GUXDHXJVCMTBBU-BEFAXECRSA-N 0 3 356.426 2.541 20 5 FFBDHN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(CN2CCC(O)CC2)cc1 ZINC000611197712 521033681 /nfs/dbraw/zinc/03/36/81/521033681.db2.gz ZSNXWNWUIRWITH-UHFFFAOYSA-N 0 3 369.421 2.733 20 5 FFBDHN Cn1ccnc1C(=O)c1ccc(N[C@@H]2CCN(C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596336670 521033784 /nfs/dbraw/zinc/03/37/84/521033784.db2.gz RLARMFKACDGFEP-CQSZACIVSA-N 0 3 371.441 2.844 20 5 FFBDHN COCc1cc([N+](=O)[O-])ccc1NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000596422543 521062559 /nfs/dbraw/zinc/06/25/59/521062559.db2.gz DPYQWBODCMWVFG-IBGZPJMESA-N 0 3 371.437 2.920 20 5 FFBDHN C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000611275112 521075529 /nfs/dbraw/zinc/07/55/29/521075529.db2.gz DZXSOFJFPAQGJB-JVEIWDLLSA-N 0 3 358.486 2.566 20 5 FFBDHN COC[C@H](NCCn1ccc([N+](=O)[O-])n1)c1cccc(C(F)(F)F)c1 ZINC000611397024 521136613 /nfs/dbraw/zinc/13/66/13/521136613.db2.gz VISPZFLLIOWPMH-ZDUSSCGKSA-N 0 3 358.320 2.787 20 5 FFBDHN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCCN(CC2CC2)C1 ZINC000596570827 521138124 /nfs/dbraw/zinc/13/81/24/521138124.db2.gz OIZLVMCKFMWJBD-CQSZACIVSA-N 0 3 367.471 2.532 20 5 FFBDHN NC(=O)[C@H]1C[C@@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000593670496 521142862 /nfs/dbraw/zinc/14/28/62/521142862.db2.gz RUBAWWVQKHZHJZ-XBXGTLAGSA-N 0 3 359.357 2.880 20 5 FFBDHN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000611488169 521183471 /nfs/dbraw/zinc/18/34/71/521183471.db2.gz YXFKHOCDXWRPEW-AWEZNQCLSA-N 0 3 373.461 2.874 20 5 FFBDHN CC1(N2CCOCC2)CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000599623541 521339109 /nfs/dbraw/zinc/33/91/09/521339109.db2.gz SZAOZMJUSNYMRZ-UHFFFAOYSA-N 0 3 353.850 2.935 20 5 FFBDHN O=[N+]([O-])c1cnn(CCN2CCC(c3ccc4cccnc4n3)CC2)c1 ZINC000594019440 521355092 /nfs/dbraw/zinc/35/50/92/521355092.db2.gz KVEYJSWGTHOVPL-UHFFFAOYSA-N 0 3 352.398 2.614 20 5 FFBDHN CO[C@H]1COCC[C@@H]1CNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602674972 521471815 /nfs/dbraw/zinc/47/18/15/521471815.db2.gz IUQFYVCQJKVCIA-KCJUWKMLSA-N 0 3 365.249 2.560 20 5 FFBDHN Nc1c(NC(=O)N2CCC(N3CC=CC3)CC2)cc(Cl)cc1[N+](=O)[O-] ZINC000597094244 521499627 /nfs/dbraw/zinc/49/96/27/521499627.db2.gz CEXUNLRFEPRPGG-UHFFFAOYSA-N 0 3 365.821 2.699 20 5 FFBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594284311 521536457 /nfs/dbraw/zinc/53/64/57/521536457.db2.gz VQXCHRPTSIPMBW-AEFFLSMTSA-N 0 3 360.458 2.796 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](CC(=O)OC(C)C)c1ccccc1 ZINC000602806376 521544434 /nfs/dbraw/zinc/54/44/34/521544434.db2.gz SFPJNPUIQRKIQC-INIZCTEOSA-N 0 3 360.414 2.772 20 5 FFBDHN C[C@@H]1Oc2ccccc2OC1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000517405935 562089110 /nfs/dbraw/zinc/08/91/10/562089110.db2.gz LBVNWTVZFTUBES-BJOHPYRUSA-N 0 3 354.322 2.638 20 5 FFBDHN C[NH+](C)[C@@H](CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000821581884 606645632 /nfs/dbraw/zinc/64/56/32/606645632.db2.gz XKJOUDKYLHETQP-INIZCTEOSA-N 0 3 371.376 2.629 20 5 FFBDHN C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824605293 609141343 /nfs/dbraw/zinc/14/13/43/609141343.db2.gz HJLCZWBEXDJZPG-LLVKDONJSA-N 0 3 356.361 2.807 20 5 FFBDHN C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824605293 609141345 /nfs/dbraw/zinc/14/13/45/609141345.db2.gz HJLCZWBEXDJZPG-LLVKDONJSA-N 0 3 356.361 2.807 20 5 FFBDHN C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824600201 609150957 /nfs/dbraw/zinc/15/09/57/609150957.db2.gz XTIQGRBEACPCBO-NSHDSACASA-N 0 3 372.360 2.644 20 5 FFBDHN C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1F ZINC000824605133 609337387 /nfs/dbraw/zinc/33/73/87/609337387.db2.gz FRLNDHKEMXIDEV-NSHDSACASA-N 0 3 356.361 2.807 20 5 FFBDHN C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824607198 609345269 /nfs/dbraw/zinc/34/52/69/609345269.db2.gz VWMJGKNUWSSIJP-LLVKDONJSA-N 0 3 356.361 2.807 20 5 FFBDHN C[C@H](CNC(=O)OC(C)(C)C)N(C)CCOc1ccccc1[N+](=O)[O-] ZINC000171955684 729016875 /nfs/dbraw/zinc/01/68/75/729016875.db2.gz DRUZQUCBLGXFSF-CYBMUJFWSA-N 0 3 353.419 2.819 20 5 FFBDHN CO[C@H]1CN(C)[C@](C)(COC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000861352738 730603509 /nfs/dbraw/zinc/60/35/09/730603509.db2.gz KBLBWDUJCDIMMU-ACJLOTCBSA-N 0 3 350.415 2.525 20 5 FFBDHN CC(C)(C)OC(=O)CN1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000865776531 730996548 /nfs/dbraw/zinc/99/65/48/730996548.db2.gz ZOOPMSJDCHNSRP-UHFFFAOYSA-N 0 3 355.460 2.552 20 5 FFBDHN COc1cnc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c(F)c1 ZINC000870454426 731516360 /nfs/dbraw/zinc/51/63/60/731516360.db2.gz KPDJTCUWNOTPHG-VFZGTOFNSA-N 0 3 352.293 2.932 20 5 FFBDHN C[C@@H](NCC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872119310 731731315 /nfs/dbraw/zinc/73/13/15/731731315.db2.gz PQLQFTNSKPSOKE-ODWCKFRGSA-N 0 3 356.419 2.740 20 5 FFBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000874828670 732104626 /nfs/dbraw/zinc/10/46/26/732104626.db2.gz YDWCAOHAGXAPES-ZIAGYGMSSA-N 0 3 357.332 2.922 20 5 FFBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000874834510 732105396 /nfs/dbraw/zinc/10/53/96/732105396.db2.gz SFXIXUGLQUEWHR-ZIAGYGMSSA-N 0 3 357.332 2.922 20 5 FFBDHN CCN1[C@H](C)CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000878836145 732602611 /nfs/dbraw/zinc/60/26/11/732602611.db2.gz IXVNNINZEVUYSX-TXEJJXNPSA-N 0 3 354.838 2.601 20 5 FFBDHN CCN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000878943487 732619341 /nfs/dbraw/zinc/61/93/41/732619341.db2.gz GTMAWIDEYVWBED-GJZGRUSLSA-N 0 3 361.364 2.587 20 5 FFBDHN CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000878944465 732619448 /nfs/dbraw/zinc/61/94/48/732619448.db2.gz XBLZAICEDYNOKD-HUUCEWRRSA-N 0 3 361.364 2.587 20 5 FFBDHN O=[N+]([O-])c1cc(Br)ccc1CN[C@H]1CCOC12CCOCC2 ZINC000926850431 738661454 /nfs/dbraw/zinc/66/14/54/738661454.db2.gz RCPWTTNQCRSSMM-AWEZNQCLSA-N 0 3 371.231 2.785 20 5 FFBDHN O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000733159367 734794362 /nfs/dbraw/zinc/79/43/62/734794362.db2.gz PEFOXDUOLAGIBO-AWEZNQCLSA-N 0 3 367.833 2.621 20 5 FFBDHN C[C@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000894081739 734798002 /nfs/dbraw/zinc/79/80/02/734798002.db2.gz BGTYOZVNGPYKQT-GXSJLCMTSA-N 0 3 366.361 2.526 20 5 FFBDHN Cn1nnc2c1C[C@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])CC2 ZINC000897347485 735223340 /nfs/dbraw/zinc/22/33/40/735223340.db2.gz NRYMPZHPIDKLFH-SNVBAGLBSA-N 0 3 356.213 2.677 20 5 FFBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H]2COc2ccc(Cl)cc2)n1 ZINC000747958920 735605254 /nfs/dbraw/zinc/60/52/54/735605254.db2.gz GESRBHBGKZEXEL-CQSZACIVSA-N 0 3 350.806 2.988 20 5 FFBDHN CN1CCC[C@@H](NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000755031274 736228324 /nfs/dbraw/zinc/22/83/24/736228324.db2.gz UPWKIHZLAMNZBO-SNVBAGLBSA-N 0 3 357.208 2.573 20 5 FFBDHN CN(C(=O)CCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CN2CCC1CC2 ZINC000906647447 736528681 /nfs/dbraw/zinc/52/86/81/736528681.db2.gz CWTNAIDDHXPCJD-INIZCTEOSA-N 0 3 351.834 2.733 20 5 FFBDHN C[C@@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)C1=CCN(C)CC1 ZINC000907281268 736606261 /nfs/dbraw/zinc/60/62/61/736606261.db2.gz HNMUHILGMFTTNO-GFCCVEGCSA-N 0 3 351.834 2.947 20 5 FFBDHN CCN1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910282084 737052576 /nfs/dbraw/zinc/05/25/76/737052576.db2.gz RSAJGDAMTYSWFD-NSHDSACASA-N 0 3 370.247 2.914 20 5 FFBDHN C[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)N1CCCCC1 ZINC000770265141 737610345 /nfs/dbraw/zinc/61/03/45/737610345.db2.gz HUOIVBNJUNELEJ-LLVKDONJSA-N 0 3 370.247 2.962 20 5 FFBDHN CC(C)[C@H]1CN(C)CCN1Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774639141 738008500 /nfs/dbraw/zinc/00/85/00/738008500.db2.gz UATZRHUYRBJQGC-OAHLLOKOSA-N 0 3 351.838 2.827 20 5 FFBDHN CSCc1ccc(CN[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000921747762 738036570 /nfs/dbraw/zinc/03/65/70/738036570.db2.gz ZIHGGHOOKVFLOI-ZWKOTPCHSA-N 0 3 362.451 2.642 20 5 FFBDHN COc1cc(CNC[C@H]2CC[C@@H](C(F)(F)F)O2)c([N+](=O)[O-])cc1O ZINC000922462981 738149390 /nfs/dbraw/zinc/14/93/90/738149390.db2.gz QAHNURMNWICEPF-RNCFNFMXSA-N 0 3 350.293 2.509 20 5 FFBDHN CCS(=O)(=O)c1ccccc1CCNCc1csc([N+](=O)[O-])c1 ZINC000922689171 738186150 /nfs/dbraw/zinc/18/61/50/738186150.db2.gz PCNWPWOHXFTQGF-UHFFFAOYSA-N 0 3 354.453 2.782 20 5 FFBDHN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[C@H]1CCCCN1C ZINC000778010108 738341838 /nfs/dbraw/zinc/34/18/38/738341838.db2.gz LAYTYZFVIDKBQJ-CYBMUJFWSA-N 0 3 373.450 2.537 20 5 FFBDHN COC(=O)[C@H]1CCCC[C@@]1(C)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792873676 739714334 /nfs/dbraw/zinc/71/43/34/739714334.db2.gz UOABRKGPDCMAJU-CZUORRHYSA-N 0 3 351.359 2.715 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC1CCN(C(=O)OC)CC1 ZINC000796509537 740148798 /nfs/dbraw/zinc/14/87/98/740148798.db2.gz HSQVXQITOHUSKP-UHFFFAOYSA-N 0 3 351.403 2.562 20 5 FFBDHN CCC[N@H+](CC)C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000810117675 741389226 /nfs/dbraw/zinc/38/92/26/741389226.db2.gz TWQNTHRGHZWFGL-LLVKDONJSA-N 0 3 363.867 2.647 20 5 FFBDHN CCC[N@@H+](CC)C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000810117675 741389228 /nfs/dbraw/zinc/38/92/28/741389228.db2.gz TWQNTHRGHZWFGL-LLVKDONJSA-N 0 3 363.867 2.647 20 5 FFBDHN CC(COC(=O)c1ccc(I)cc1Cl)[N+](=O)[O-] ZINC000813105350 741677551 /nfs/dbraw/zinc/67/75/51/741677551.db2.gz XTILWOCEYCUZAR-LURJTMIESA-N 0 3 369.542 2.767 20 5 FFBDHN CC(COC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000813103898 741677617 /nfs/dbraw/zinc/67/76/17/741677617.db2.gz HVHASMLFIOCZOS-RLAWYHOSSA-N 0 3 356.419 2.763 20 5 FFBDHN Cc1nc(C(=O)OCC(C)[N+](=O)[O-])nn1-c1c(Cl)cccc1Cl ZINC000813114119 741678968 /nfs/dbraw/zinc/67/89/68/741678968.db2.gz YYHOKTYCVJSJNN-ZETCQYMHSA-N 0 3 359.169 2.705 20 5 FFBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C[C@H]1N(C)C ZINC000827425995 743573847 /nfs/dbraw/zinc/57/38/47/743573847.db2.gz NYDFWCMZEISIDA-KGLIPLIRSA-N 0 3 357.863 2.674 20 5 FFBDHN CO[C@@H]([C@H](C)N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000840779442 747181220 /nfs/dbraw/zinc/18/12/20/747181220.db2.gz BVNDJOUYEBFDOI-YHAQOWFVSA-N 0 3 355.822 2.978 20 5 FFBDHN O=[N+]([O-])c1cc(CN(CCN2CCOCC2)CC2CC2)ccc1Cl ZINC000852636276 749910557 /nfs/dbraw/zinc/91/05/57/749910557.db2.gz RGXYZTZOWTXZJA-UHFFFAOYSA-N 0 3 353.850 2.792 20 5 FFBDHN O=[N+]([O-])c1cccc(Br)c1NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000853240772 750036706 /nfs/dbraw/zinc/03/67/06/750036706.db2.gz FJDJOABGWCFMDB-WDEREUQCSA-N 0 3 356.220 2.632 20 5 FFBDHN CN1CCCC[C@H]1CNC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000044564361 845096178 /nfs/dbraw/zinc/09/61/78/845096178.db2.gz DJIOJIZONJEASN-NSHDSACASA-N 0 3 356.220 2.571 20 5 FFBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000843758279 965660962 /nfs/dbraw/zinc/66/09/62/965660962.db2.gz NFBVGNAGDNKADF-HNNXBMFYSA-N 0 3 359.401 2.945 20 5 FFBDHN CN(C)Cc1ccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)cc1C(F)(F)F ZINC000894982489 967142861 /nfs/dbraw/zinc/14/28/61/967142861.db2.gz CIBPABSGWKOQST-UHFFFAOYSA-N 0 3 371.319 2.510 20 5 FFBDHN C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[C@@H]1CN(C)CCN1C ZINC000895247762 968761337 /nfs/dbraw/zinc/76/13/37/968761337.db2.gz WFFKBKSARSTFMK-PBHICJAKSA-N 0 3 355.442 2.703 20 5 FFBDHN O=C(CCNCc1nccc2c1CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000905515966 980460810 /nfs/dbraw/zinc/46/08/10/980460810.db2.gz HODMJKPTLBKNFQ-UHFFFAOYSA-N 0 3 354.410 2.987 20 5 FFBDHN Cn1ccnc1[C@@H](NCCN1CCC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000898034993 982600029 /nfs/dbraw/zinc/60/00/29/982600029.db2.gz GADSGMXGXZWBFG-KRWDZBQOSA-N 0 3 357.458 2.739 20 5 FFBDHN COc1cccc([C@H](CNc2nc3ccccn3c2[N+](=O)[O-])N(C)C)c1 ZINC000029848069 986460921 /nfs/dbraw/zinc/46/09/21/986460921.db2.gz QSWYFTZGRYFWFB-HNNXBMFYSA-N 0 3 355.398 2.966 20 5 FFBDHN CC(C)C[N@@H+]1CCO[C@H](COC(=O)c2cc3cccc([N+](=O)[O-])c3[n-]2)C1 ZINC000919521047 990663746 /nfs/dbraw/zinc/66/37/46/990663746.db2.gz ALWMKMCSKJZBRO-AWEZNQCLSA-N 0 3 361.398 2.590 20 5 FFBDHN CC(C)C[N@H+]1CCO[C@H](COC(=O)c2cc3cccc([N+](=O)[O-])c3[n-]2)C1 ZINC000919521047 990663751 /nfs/dbraw/zinc/66/37/51/990663751.db2.gz ALWMKMCSKJZBRO-AWEZNQCLSA-N 0 3 361.398 2.590 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000824827937 997118460 /nfs/dbraw/zinc/11/84/60/997118460.db2.gz JUAUQOQEVCDOIO-KGLIPLIRSA-N 0 3 371.359 2.746 20 5 FFBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825389878 997333679 /nfs/dbraw/zinc/33/36/79/997333679.db2.gz VZPUTLMCUBYERC-LSBZLQRGSA-N 0 3 369.421 2.580 20 5 FFBDHN CS(=O)(=O)c1cccc(C2CCN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169054836 1000018997 /nfs/dbraw/zinc/01/89/97/1000018997.db2.gz NTKKTSPJOGZQLA-WMLDXEAASA-N 0 3 366.483 2.715 20 5 FFBDHN Cc1cc([O-])c(I)c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001225509999 1034282695 /nfs/dbraw/zinc/28/26/95/1034282695.db2.gz BGNMQUQPGBBXQW-JTQLQIEISA-O 0 3 350.220 2.779 20 5 FFBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000786821105 1001632856 /nfs/dbraw/zinc/63/28/56/1001632856.db2.gz YIIUXHYSDUTOCI-UKRRQHHQSA-N 0 3 354.410 2.742 20 5 FFBDHN Cc1cc(F)ccc1[C@@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000746669439 1001681813 /nfs/dbraw/zinc/68/18/13/1001681813.db2.gz CLPAQVNUVQOFET-PBHICJAKSA-N 0 3 360.389 2.657 20 5 FFBDHN COc1ccc(C[C@@H](C)N[C@@H]2Cc3ccccc3NC2=O)c([N+](=O)[O-])c1 ZINC001170296645 1003090268 /nfs/dbraw/zinc/09/02/68/1003090268.db2.gz HFMPJJPELQXQCP-SJKOYZFVSA-N 0 3 355.394 2.687 20 5 FFBDHN COc1ccc(C[C@@H](C)N[C@H](C)c2nnc3ccccn32)c([N+](=O)[O-])c1 ZINC001170298381 1003091457 /nfs/dbraw/zinc/09/14/57/1003091457.db2.gz KRURJGLFJDUQQT-CHWSQXEVSA-N 0 3 355.398 2.928 20 5 FFBDHN Cc1cc(S(=O)(=O)N2CCC(C)(C)NC(C)(C)C2)cc([N+](=O)[O-])c1F ZINC001196121438 1003683602 /nfs/dbraw/zinc/68/36/02/1003683602.db2.gz RJWZBVRJUJNRLJ-UHFFFAOYSA-N 0 3 373.450 2.584 20 5 FFBDHN CN(Cc1ccccc1N1CCOCC1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776276613 1005342678 /nfs/dbraw/zinc/34/26/78/1005342678.db2.gz OCXIIQLPLMMQDK-FQEVSTJZSA-N 0 3 371.437 2.597 20 5 FFBDHN Cc1cc(F)cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)c1[N+](=O)[O-] ZINC000851645372 1005902900 /nfs/dbraw/zinc/90/29/00/1005902900.db2.gz IVGIAMHNOXSEDE-MRXNPFEDSA-N 0 3 359.357 2.956 20 5 FFBDHN CC(C)[C@H](C)NC(=O)C1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776580947 1005961406 /nfs/dbraw/zinc/96/14/06/1005961406.db2.gz AIIODEDASDBEMY-KSSFIOAISA-N 0 3 363.458 2.501 20 5 FFBDHN Cc1c([N+](=O)[O-])cc(C(=O)NCc2ccccc2CN(C)C)cc1[N+](=O)[O-] ZINC000009917247 1007066953 /nfs/dbraw/zinc/06/69/53/1007066953.db2.gz HFAUNZHOWGMTIH-UHFFFAOYSA-N 0 3 372.381 2.803 20 5 FFBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCc2ccc(N3CCCCC3)nc2)c1 ZINC000818961024 1007979845 /nfs/dbraw/zinc/97/98/45/1007979845.db2.gz NHYKKXLAJSZRID-SFHVURJKSA-N 0 3 356.426 2.803 20 5 FFBDHN Cc1ccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c(N2CCCC2)n1 ZINC000819219081 1008075045 /nfs/dbraw/zinc/07/50/45/1008075045.db2.gz BVQBRTGSBRAHJN-GOSISDBHSA-N 0 3 356.426 2.722 20 5 FFBDHN Cc1ccc(C2=NO[C@H](CNC[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000819292663 1008084686 /nfs/dbraw/zinc/08/46/86/1008084686.db2.gz VMUUGWWRGDZSJD-HKUYNNGSSA-N 0 3 355.394 2.719 20 5 FFBDHN CCN1CCN(c2ccc(NC[C@H](O)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000819395365 1008113550 /nfs/dbraw/zinc/11/35/50/1008113550.db2.gz KDFKNWKHLXPKJC-FQEVSTJZSA-N 0 3 370.453 2.882 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000820673873 1008359552 /nfs/dbraw/zinc/35/95/52/1008359552.db2.gz MOSFXFRDPPSMBT-GJZGRUSLSA-N 0 3 363.458 2.831 20 5 FFBDHN C[C@H](NC(=O)Nc1ccc2c(c1)OCCNC2)c1ccc([N+](=O)[O-])cc1 ZINC000859751147 1008647042 /nfs/dbraw/zinc/64/70/42/1008647042.db2.gz CKRNKZJZQORNON-LBPRGKRZSA-N 0 3 356.382 2.960 20 5 FFBDHN Cc1cccc2c1C[C@H](C(=O)OCC(C)[N+](=O)[O-])N2C(=O)OC(C)(C)C ZINC000860776265 1009147508 /nfs/dbraw/zinc/14/75/08/1009147508.db2.gz DDWWSIDGAWUMNX-IUODEOHRSA-N 0 3 364.398 2.870 20 5 FFBDHN Cc1cccc2c1C[C@@H](C(=O)OCC(C)[N+](=O)[O-])N2C(=O)OC(C)(C)C ZINC000860776264 1009147716 /nfs/dbraw/zinc/14/77/16/1009147716.db2.gz DDWWSIDGAWUMNX-DOMZBBRYSA-N 0 3 364.398 2.870 20 5 FFBDHN C[C@@H](CN1CCCC1)OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000860849516 1009173215 /nfs/dbraw/zinc/17/32/15/1009173215.db2.gz UWVVJCYRVROYCW-LBPRGKRZSA-N 0 3 362.361 2.561 20 5 FFBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1cc(=O)n2ccccc2n1 ZINC001179060517 1009237229 /nfs/dbraw/zinc/23/72/29/1009237229.db2.gz QIJJFQCHODUYEK-ZROIWOOFSA-N 0 3 350.378 2.796 20 5 FFBDHN CN1CC[C@H](NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000823956535 1009277654 /nfs/dbraw/zinc/27/76/54/1009277654.db2.gz SKSUWUJSSLDTLM-RDJZCZTQSA-N 0 3 355.398 2.744 20 5 FFBDHN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000864630504 1010535340 /nfs/dbraw/zinc/53/53/40/1010535340.db2.gz MZXZTQVXNYGATF-MRXNPFEDSA-N 0 3 357.385 2.667 20 5 FFBDHN O=C(Cc1cccc(F)c1[N+](=O)[O-])NCCCN1CCc2ccccc2C1 ZINC000864823831 1010589504 /nfs/dbraw/zinc/58/95/04/1010589504.db2.gz UJBVMYMIRNTLLQ-UHFFFAOYSA-N 0 3 371.412 2.841 20 5 FFBDHN CN1CCN(C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 ZINC000866213475 1010952903 /nfs/dbraw/zinc/95/29/03/1010952903.db2.gz VUDZBOPCULHLMY-UHFFFAOYSA-N 0 3 372.391 2.830 20 5 FFBDHN CCNC(=O)OC[C@@H]1CCCCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000796170016 1011234535 /nfs/dbraw/zinc/23/45/35/1011234535.db2.gz DSINJSWFEJKYOH-INIZCTEOSA-N 0 3 365.430 2.964 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NC2CN(c3ccccn3)C2)c1F ZINC001173181720 1012323686 /nfs/dbraw/zinc/32/36/86/1012323686.db2.gz PUWSEOALIFLBEB-LBPRGKRZSA-N 0 3 360.389 2.547 20 5 FFBDHN COC(=O)CC[C@H]1CCN([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173195488 1012337783 /nfs/dbraw/zinc/33/77/83/1012337783.db2.gz GTSNHUMKQJZTJC-STQMWFEESA-N 0 3 368.405 2.949 20 5 FFBDHN COc1cc(C)nc(O[C@@H]2CCN([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001173237130 1012382529 /nfs/dbraw/zinc/38/25/29/1012382529.db2.gz IAZCJIVNXHLWAZ-WMLDXEAASA-N 0 3 372.425 2.786 20 5 FFBDHN O=[N+]([O-])c1ccc(NC[C@H]2CN3CCC[C@H]3CO2)c(Br)c1 ZINC000252539384 1012559725 /nfs/dbraw/zinc/55/97/25/1012559725.db2.gz BMPJQSJHTCPVEQ-RYUDHWBXSA-N 0 3 356.220 2.632 20 5 FFBDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000925233625 1017672875 /nfs/dbraw/zinc/67/28/75/1017672875.db2.gz ZDFXFLVKOYHYAR-OAHLLOKOSA-N 0 3 371.441 2.824 20 5 FFBDHN Nc1ccc2c(c1)CN([C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)CCO2 ZINC000925755798 1017839168 /nfs/dbraw/zinc/83/91/68/1017839168.db2.gz YMVREPUAXFRCSZ-HZPDHXFCSA-N 0 3 357.414 2.752 20 5 FFBDHN CCC(CC)N(CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000726586260 1020488948 /nfs/dbraw/zinc/48/89/48/1020488948.db2.gz VVHOETOPSUSILZ-UHFFFAOYSA-N 0 3 360.414 2.974 20 5 FFBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000932214363 1020744702 /nfs/dbraw/zinc/74/47/02/1020744702.db2.gz COBXLNFPYSTBGR-INIZCTEOSA-N 0 3 355.394 2.793 20 5 FFBDHN COc1ccc(CN(CCCO)C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000934505742 1021265993 /nfs/dbraw/zinc/26/59/93/1021265993.db2.gz YVSGHPZTNUNMEK-IBGZPJMESA-N 0 3 360.410 2.521 20 5 FFBDHN CN(C(=O)CN1CCCC[C@@H]([C@H]2CCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000934844349 1021425942 /nfs/dbraw/zinc/42/59/42/1021425942.db2.gz YZIPSESVWNNVGW-CVEARBPZSA-N 0 3 361.442 2.696 20 5 FFBDHN COc1cc(O[C@H]2CC[C@@H](C)[NH2+]C2)c2c(c1)oc1c([O-])ccc(O)c1c2=O ZINC001218399081 1033138277 /nfs/dbraw/zinc/13/82/77/1033138277.db2.gz NQJGJBMFGWZXDU-MNOVXSKESA-N 0 3 371.389 2.885 20 5 FFBDHN CC([C@H](OC(=O)C[C@H]1NC(=O)c2ccccc21)c1ccccc1F)[N+](=O)[O-] ZINC001123018117 1023596724 /nfs/dbraw/zinc/59/67/24/1023596724.db2.gz BKUFRVWTOFGJKI-ONUMYQOESA-N 0 3 372.352 2.950 20 5 FFBDHN Cn1cc([N+](=O)[O-])c(C(=O)OC[C@]2(C)CCCCN2Cc2ccccc2)n1 ZINC000755908025 1023649245 /nfs/dbraw/zinc/64/92/45/1023649245.db2.gz FYGISANWOUFCNG-IBGZPJMESA-N 0 3 372.425 2.930 20 5 FFBDHN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CCc2ccc3ccccc3c2)C1 ZINC000950055547 1023694744 /nfs/dbraw/zinc/69/47/44/1023694744.db2.gz BSJXGTOYROCNCY-WOJBJXKFSA-N 0 3 367.449 2.580 20 5 FFBDHN COc1cnccc1N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000795284802 1025448410 /nfs/dbraw/zinc/44/84/10/1025448410.db2.gz PAXWBVCPOZLEEZ-UHFFFAOYSA-N 0 3 371.422 2.935 20 5 FFBDHN CN1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C[C@H]1C(C)(C)C ZINC001163930819 1029120772 /nfs/dbraw/zinc/12/07/72/1029120772.db2.gz WYCJPTMTXFZVCY-KRWDZBQOSA-N 0 3 371.441 2.787 20 5 FFBDHN Cc1nc(N2CCC[C@@H](NCOCC[Si](C)(C)C)C2)ncc1[N+](=O)[O-] ZINC001156472191 1029205588 /nfs/dbraw/zinc/20/55/88/1029205588.db2.gz HSPJWYKURNXOFJ-CQSZACIVSA-N 0 3 367.526 2.564 20 5 FFBDHN CN1CCC(N(Cc2ccc(F)cc2)c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001158449073 1029831854 /nfs/dbraw/zinc/83/18/54/1029831854.db2.gz OZXNRQZSSYVTKY-UHFFFAOYSA-N 0 3 359.405 2.812 20 5 FFBDHN COC(=O)[C@]1(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCOC1 ZINC001204102378 1031102105 /nfs/dbraw/zinc/10/21/05/1031102105.db2.gz BIWVVJFJQVHNRH-SFHVURJKSA-N 0 3 360.366 2.524 20 5 FFBDHN Cc1nn(CN2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)c2ncc([N+](=O)[O-])cc12 ZINC000799153843 1031669473 /nfs/dbraw/zinc/66/94/73/1031669473.db2.gz AXONWFPFLWTVEB-IUHNQTRMSA-N 0 3 373.457 2.867 20 5 FFBDHN Cc1c(CN2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000831563769 1034127696 /nfs/dbraw/zinc/12/76/96/1034127696.db2.gz POSWZBWKXZNVDG-UONOGXRCSA-N 0 3 371.359 2.746 20 5 FFBDHN COC(=O)c1cc(Br)cc([N+](=O)[O-])c1OC1CCN(C)CC1 ZINC001226358168 1034649888 /nfs/dbraw/zinc/64/98/88/1034649888.db2.gz CJJZYVRSPDRYCV-UHFFFAOYSA-N 0 3 373.203 2.617 20 5 FFBDHN O=[N+]([O-])c1cnc(OC2CCN(CCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001227111984 1034938387 /nfs/dbraw/zinc/93/83/87/1034938387.db2.gz VEHOELRMLFDRJK-UHFFFAOYSA-N 0 3 372.381 2.984 20 5 FFBDHN CN1CCC(Oc2ccccc2C(=O)Nc2ncc([N+](=O)[O-])s2)CC1 ZINC001227516138 1035593363 /nfs/dbraw/zinc/59/33/63/1035593363.db2.gz UKPXZSLVBFRZHO-UHFFFAOYSA-N 0 3 362.411 2.777 20 5 FFBDHN CN1CCc2cc(O[C@H]3CCN(c4ccc([N+](=O)[O-])cn4)C3)ccc2C1 ZINC001228943396 1036421778 /nfs/dbraw/zinc/42/17/78/1036421778.db2.gz HBQPVURFQFRQPR-SFHVURJKSA-N 0 3 354.410 2.635 20 5 FFBDHN Cc1ccc(CN)nc1N(C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254464930 1040734189 /nfs/dbraw/zinc/73/41/89/1040734189.db2.gz PMIIHLOLXIKKCA-UHFFFAOYSA-N 0 3 355.442 2.862 20 5 FFBDHN NCc1ccc2c(n1)N(C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)CCC2 ZINC001254468667 1040735896 /nfs/dbraw/zinc/73/58/96/1040735896.db2.gz PTALFFBLJDQAFW-UHFFFAOYSA-N 0 3 367.453 2.870 20 5 FFBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1cn(Cc2ccccn2)cn1 ZINC001254544142 1040791357 /nfs/dbraw/zinc/79/13/57/1040791357.db2.gz HUPUUTSIHWGDEU-HNNXBMFYSA-N 0 3 351.410 2.955 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](n1nc(C(F)(F)F)c3c1CCNC3)C2 ZINC001254608080 1040836515 /nfs/dbraw/zinc/83/65/15/1040836515.db2.gz OZTJSENNNHEZLM-GFCCVEGCSA-N 0 3 352.316 2.796 20 5 FFBDHN CCN(CC)C(=O)NC1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254611409 1040838509 /nfs/dbraw/zinc/83/85/09/1040838509.db2.gz QEUYQLGCWKYMBZ-SFHVURJKSA-N 0 3 360.458 2.578 20 5 FFBDHN COc1ccnc(O[C@H]2CCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)c1 ZINC001254610260 1040839753 /nfs/dbraw/zinc/83/97/53/1040839753.db2.gz ISFVKYTZZQJOTJ-AEFFLSMTSA-N 0 3 355.394 2.619 20 5 FFBDHN C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001263202344 1042168905 /nfs/dbraw/zinc/16/89/05/1042168905.db2.gz XKZKIJABCFUIPT-SDDRHHMPSA-N 0 3 360.439 2.929 20 5 FFBDHN CN(CCc1nccc(C(F)(F)F)n1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001333452552 1048910374 /nfs/dbraw/zinc/91/03/74/1048910374.db2.gz LEFLFABJOZXGBI-CYBMUJFWSA-N 0 3 370.331 2.612 20 5 FFBDHN CC(C)(C)N1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC001340767465 1051120261 /nfs/dbraw/zinc/12/02/61/1051120261.db2.gz VZGYGMHXHKZQAC-UHFFFAOYSA-N 0 3 354.838 2.603 20 5 FFBDHN Cc1ccc(CN2CC[C@@H](NC(=O)COc3ccccc3[N+](=O)[O-])C2)cc1 ZINC001302725273 1051184633 /nfs/dbraw/zinc/18/46/33/1051184633.db2.gz RWIWFICDJPBEAV-QGZVFWFLSA-N 0 3 369.421 2.673 20 5 FFBDHN O=C(CCN[C@@]1(c2ccccc2)C[C@@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC001308057797 1052395662 /nfs/dbraw/zinc/39/56/62/1052395662.db2.gz AZZQHXXKGJWUNB-GLRZTSSQSA-N 0 3 355.394 2.563 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN(C2CCCC2)[C@H](C)C1 ZINC001308080245 1052401066 /nfs/dbraw/zinc/40/10/66/1052401066.db2.gz VNXYWYLCQVJJQW-OAHLLOKOSA-N 0 3 360.458 2.790 20 5 FFBDHN COC(=O)COc1ccc(CN[C@H](C)COc2ccccc2)cc1[N+](=O)[O-] ZINC001308229125 1052433958 /nfs/dbraw/zinc/43/39/58/1052433958.db2.gz SPBWWJRZYMZAIY-CQSZACIVSA-N 0 3 374.393 2.704 20 5 FFBDHN Cc1ccnc(-c2n[nH]c([C@@H](C)NCCc3ccc([N+](=O)[O-])cc3)n2)c1 ZINC001308720616 1052490860 /nfs/dbraw/zinc/49/08/60/1052490860.db2.gz MXXUQZIMXOCHJU-CYBMUJFWSA-N 0 3 352.398 2.977 20 5 FFBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCCN1C ZINC001339263508 1056268187 /nfs/dbraw/zinc/26/81/87/1056268187.db2.gz GTUHXCGXRPJCAE-CQSZACIVSA-N 0 3 367.471 2.547 20 5 FFBDHN CSc1nccnc1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC001515654897 1059736684 /nfs/dbraw/zinc/73/66/84/1059736684.db2.gz WEMRBIYGSZDODG-ZANVPECISA-N 0 3 351.359 2.901 20 5 FFBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000848350290 1059836631 /nfs/dbraw/zinc/83/66/31/1059836631.db2.gz PKPHJIKXXXAMEX-PKOBYXMFSA-N 0 3 372.469 2.942 20 5 FFBDHN CSc1ccc(C(=O)OC[C@H]2CCN2C2CCOCC2)cc1[N+](=O)[O-] ZINC001517120651 1060354250 /nfs/dbraw/zinc/35/42/50/1060354250.db2.gz CARUZYRFCFZMDE-CQSZACIVSA-N 0 3 366.439 2.727 20 5 FFBDHN CC[C@H](c1ccccc1)N1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC001459592407 1060777954 /nfs/dbraw/zinc/77/79/54/1060777954.db2.gz ZLTKOHWFRBEIQY-LJQANCHMSA-N 0 3 370.453 2.525 20 5 FFBDHN CC(C)(C(=O)OC[C@@H]1CCN1C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC001526620116 1061184262 /nfs/dbraw/zinc/18/42/62/1061184262.db2.gz GMTICYXATBKRMF-HNNXBMFYSA-N 0 3 362.426 2.669 20 5 FFBDHN COc1c([O-])ccc(C[NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)c1[N+](=O)[O-] ZINC001462377154 1061599887 /nfs/dbraw/zinc/59/98/87/1061599887.db2.gz POVKRVXIGNTHTC-GDBMZVCRSA-N 0 3 359.382 2.714 20 5 FFBDHN C[C@@H](CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)N1CCCCC1 ZINC001472493539 1065080200 /nfs/dbraw/zinc/08/02/00/1065080200.db2.gz BSEFLBHFCLYKLQ-ZDUSSCGKSA-N 0 3 356.426 2.934 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)Cc1cccc(Br)c1 ZINC001473118660 1065202490 /nfs/dbraw/zinc/20/24/90/1065202490.db2.gz PDWUZUCBVZTQRD-UHFFFAOYSA-N 0 3 353.220 2.994 20 5 FFBDHN CCO[C@H]1C[C@@H]([NH2+]Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1(CC)CC ZINC001578334705 1078465624 /nfs/dbraw/zinc/46/56/24/1078465624.db2.gz KMKUIINQQYUETQ-CVEARBPZSA-N 0 3 374.445 2.848 20 5 FFBDHN CCO[C@H]1C[C@@H]([NH2+]Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1(CC)CC ZINC001578334705 1078465628 /nfs/dbraw/zinc/46/56/28/1078465628.db2.gz KMKUIINQQYUETQ-CVEARBPZSA-N 0 3 374.445 2.848 20 5 FFBDHN CN(C)[C@@H]1C[C@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC001557698916 1075875737 /nfs/dbraw/zinc/87/57/37/1075875737.db2.gz YJVVVTWHOUDPPP-DLBZAZTESA-N 0 3 359.426 2.547 20 5 FFBDHN Cc1cccc(CN2CC[C@H](NC(=O)Cc3ccccc3[N+](=O)[O-])C2)c1 ZINC001557759609 1075885306 /nfs/dbraw/zinc/88/53/06/1075885306.db2.gz ASWCSHVGHXQJOF-SFHVURJKSA-N 0 3 353.422 2.836 20 5 FFBDHN COc1c(O)ccc(CN2CCCN3c4ccccc4C[C@H]3C2)c1[N+](=O)[O-] ZINC001560865202 1076304664 /nfs/dbraw/zinc/30/46/64/1076304664.db2.gz SXVYKOYBZOHRPD-INIZCTEOSA-N 0 3 369.421 2.946 20 5 FFBDHN CN1CCCC[C@H]1CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC001562575173 1076504786 /nfs/dbraw/zinc/50/47/86/1076504786.db2.gz FKEKIGSOTWLLGF-NSHDSACASA-N 0 3 371.235 2.963 20 5 FFBDHN C[C@H](c1cccc(-c2nnn[n-]2)c1)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001590043548 1080969676 /nfs/dbraw/zinc/96/96/76/1080969676.db2.gz OTQAGNNWJNGXFB-SJKOYZFVSA-N 0 3 368.397 2.501 20 5 FFBDHN C[C@H](c1cccc(-c2nnn[n-]2)c1)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001590043548 1080969678 /nfs/dbraw/zinc/96/96/78/1080969678.db2.gz OTQAGNNWJNGXFB-SJKOYZFVSA-N 0 3 368.397 2.501 20 5 FFBDHN C[C@H](c1cccc(-c2nn[n-]n2)c1)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001590043548 1080969681 /nfs/dbraw/zinc/96/96/81/1080969681.db2.gz OTQAGNNWJNGXFB-SJKOYZFVSA-N 0 3 368.397 2.501 20 5 FFBDHN C[C@H](c1cccc(-c2nn[n-]n2)c1)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001590043548 1080969683 /nfs/dbraw/zinc/96/96/83/1080969683.db2.gz OTQAGNNWJNGXFB-SJKOYZFVSA-N 0 3 368.397 2.501 20 5 FFBDHN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](CC(C)C)N(C)C)cc1OC ZINC000042585443 249392564 /nfs/dbraw/zinc/39/25/64/249392564.db2.gz RICQUXLUQXLTRN-CYBMUJFWSA-N 0 3 367.446 2.708 20 5 FFBDHN COc1cc(CN[C@@H](C)[C@H]2CCOC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000163002171 251163967 /nfs/dbraw/zinc/16/39/67/251163967.db2.gz VBCCNMTXCYCHQZ-QWRGUYRKSA-N 0 3 360.357 2.762 20 5 FFBDHN C[C@H](c1ccncc1)N1CCC(NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000155374697 251154736 /nfs/dbraw/zinc/15/47/36/251154736.db2.gz ZCUMBPWORHGEFQ-OAHLLOKOSA-N 0 3 368.437 2.874 20 5 FFBDHN C[C@H]1C[C@@H](N(C)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000272465991 252046573 /nfs/dbraw/zinc/04/65/73/252046573.db2.gz HPGXGZIUZJQBKJ-WFASDCNBSA-N 0 3 368.865 2.915 20 5 FFBDHN C[C@H](CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])N1CCCCC1 ZINC000273150288 252232184 /nfs/dbraw/zinc/23/21/84/252232184.db2.gz LVEVEIPBDXZEKS-CYBMUJFWSA-N 0 3 355.460 2.675 20 5 FFBDHN CCOc1cc(CN2CCC[C@H](C3(C)OCCO3)C2)ccc1[N+](=O)[O-] ZINC000276894231 256139923 /nfs/dbraw/zinc/13/99/23/256139923.db2.gz KSKIMKVPWLCIDE-HNNXBMFYSA-N 0 3 350.415 2.969 20 5 FFBDHN CCc1n[nH]c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000278430112 256311907 /nfs/dbraw/zinc/31/19/07/256311907.db2.gz CYGFRFPWNGESIH-CZUORRHYSA-N 0 3 371.441 2.521 20 5 FFBDHN CN(C)c1cc(F)c(C(=O)N2CCC[C@H]2CN2CCCC2)cc1[N+](=O)[O-] ZINC000279185925 256391286 /nfs/dbraw/zinc/39/12/86/256391286.db2.gz IXBXFFUAURVQPV-ZDUSSCGKSA-N 0 3 364.421 2.500 20 5 FFBDHN CC1(C)C[C@@H](NC[C@@H]2CCCS(=O)(=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000287002897 257066434 /nfs/dbraw/zinc/06/64/34/257066434.db2.gz KECJMKOYYMYIDZ-BLLLJJGKSA-N 0 3 352.456 2.732 20 5 FFBDHN C[C@H]1C[C@H](N2CCCC2)CN1c1ncc(Br)cc1[N+](=O)[O-] ZINC000286403406 257035231 /nfs/dbraw/zinc/03/52/31/257035231.db2.gz PTOSQGLOOPKFLK-JQWIXIFHSA-N 0 3 355.236 2.815 20 5 FFBDHN COCCN(C)c1ccc(CN(C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000289325474 257274437 /nfs/dbraw/zinc/27/44/37/257274437.db2.gz GEKAEKHPINZIQA-UHFFFAOYSA-N 0 3 358.442 2.747 20 5 FFBDHN COC[C@]1(CNCc2ccc(OC)c([N+](=O)[O-])c2)OCCc2ccccc21 ZINC000289873814 257304096 /nfs/dbraw/zinc/30/40/96/257304096.db2.gz PGBZPSLOJACTQM-FQEVSTJZSA-N 0 3 372.421 2.808 20 5 FFBDHN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C12CCCN1CCC2 ZINC000290553634 257341104 /nfs/dbraw/zinc/34/11/04/257341104.db2.gz WZFNRILPBLAUAP-UHFFFAOYSA-N 0 3 357.332 2.858 20 5 FFBDHN COC(=O)[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccc(O)cc1 ZINC000296186324 257680555 /nfs/dbraw/zinc/68/05/55/257680555.db2.gz YCWPQXAHLSSKTQ-ZWKOTPCHSA-N 0 3 356.378 2.689 20 5 FFBDHN CC1CCC(N2CCN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])CC2)CC1 ZINC000301260505 258037477 /nfs/dbraw/zinc/03/74/77/258037477.db2.gz FGZMJLRPJHVBPO-UHFFFAOYSA-N 0 3 371.441 2.944 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](N2CCCC2)[C@@H](SC)C1 ZINC000332106521 258214472 /nfs/dbraw/zinc/21/44/72/258214472.db2.gz ZPIIKNJTODOBAS-WBVHZDCISA-N 0 3 351.472 2.615 20 5 FFBDHN O=C(CC1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1)N1CCCC1 ZINC000065534782 506318683 /nfs/dbraw/zinc/31/86/83/506318683.db2.gz HHDDDFIBHPRLJI-UHFFFAOYSA-N 0 3 361.442 2.698 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N=c1ccn(C2CCN(C)CC2)[nH]1 ZINC000373237356 512234510 /nfs/dbraw/zinc/23/45/10/512234510.db2.gz QCPNBSUFTCYFMP-UHFFFAOYSA-N 0 3 371.441 2.657 20 5 FFBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000065939279 506398889 /nfs/dbraw/zinc/39/88/89/506398889.db2.gz DQERCJQJKCFSOZ-UHFFFAOYSA-N 0 3 374.416 2.736 20 5 FFBDHN CNC(=O)c1ccc(N[C@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000053550759 506401877 /nfs/dbraw/zinc/40/18/77/506401877.db2.gz RSVIBEFCSXLUEG-INIZCTEOSA-N 0 3 354.410 2.641 20 5 FFBDHN Cc1noc(C2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)n1 ZINC000053640277 506420305 /nfs/dbraw/zinc/42/03/05/506420305.db2.gz JRHCNLLKXOTQNC-UHFFFAOYSA-N 0 3 373.413 2.803 20 5 FFBDHN CN(C)Cc1cccc(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000054647739 506594059 /nfs/dbraw/zinc/59/40/59/506594059.db2.gz KAMRRCNKXHCEIZ-UHFFFAOYSA-N 0 3 356.426 2.698 20 5 FFBDHN CN(C)CCNC(=O)c1cccc(CNc2ccc([N+](=O)[O-])cc2F)c1 ZINC000066816440 506651428 /nfs/dbraw/zinc/65/14/28/506651428.db2.gz LOWHVLMBVGFCDO-UHFFFAOYSA-N 0 3 360.389 2.637 20 5 FFBDHN C[C@@H]1CCCN(c2ccc(C(=O)NCCN(C)C3CC3)cc2[N+](=O)[O-])C1 ZINC000066924708 506696903 /nfs/dbraw/zinc/69/69/03/506696903.db2.gz MKINPQJPYYENHN-CQSZACIVSA-N 0 3 360.458 2.655 20 5 FFBDHN CN(CCCNC(=O)COc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000009981723 506720282 /nfs/dbraw/zinc/72/02/82/506720282.db2.gz JVRAWUOTHQTAPC-UHFFFAOYSA-N 0 3 357.410 2.612 20 5 FFBDHN CN(C)Cc1cccc(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000044276690 506827730 /nfs/dbraw/zinc/82/77/30/506827730.db2.gz WIMYRCXFZDDLHQ-UHFFFAOYSA-N 0 3 357.414 2.890 20 5 FFBDHN COc1ccc(CC(=O)N(CCN(C)C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000067914842 507050915 /nfs/dbraw/zinc/05/09/15/507050915.db2.gz SWTQKIPSFRRMDQ-UHFFFAOYSA-N 0 3 371.437 2.736 20 5 FFBDHN COc1ccc(CC(=O)N2CCC[C@@H]2CN2CCCCC2)cc1[N+](=O)[O-] ZINC000068132049 507122869 /nfs/dbraw/zinc/12/28/69/507122869.db2.gz XZAJIHPHAQSHOY-MRXNPFEDSA-N 0 3 361.442 2.623 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1CCN(C2CC2)CC1 ZINC000068265715 507167463 /nfs/dbraw/zinc/16/74/63/507167463.db2.gz IRLRZBVUOMAHMU-NSHDSACASA-N 0 3 367.833 2.759 20 5 FFBDHN COc1ccc(C(=O)Nc2ccc(OCCN(C)C)cc2)cc1[N+](=O)[O-] ZINC000046723190 507182236 /nfs/dbraw/zinc/18/22/36/507182236.db2.gz RILQPPCJTUSESW-UHFFFAOYSA-N 0 3 359.382 2.796 20 5 FFBDHN CCN1CCC(n2nccc2NC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000068742772 507311999 /nfs/dbraw/zinc/31/19/99/507311999.db2.gz ADGDMKJXFWFBHH-UHFFFAOYSA-N 0 3 357.414 2.629 20 5 FFBDHN CC(C)N1CCCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000068775367 507319146 /nfs/dbraw/zinc/31/91/46/507319146.db2.gz IIWSZYJTVFQSTI-CYBMUJFWSA-N 0 3 369.849 2.958 20 5 FFBDHN COC(=O)c1ccc(CN(C)CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000026321641 507577372 /nfs/dbraw/zinc/57/73/72/507577372.db2.gz OKYXSPWIYCTNAS-UHFFFAOYSA-N 0 3 371.393 2.842 20 5 FFBDHN CCOc1ccc(CN(C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000026711954 507603830 /nfs/dbraw/zinc/60/38/30/507603830.db2.gz PDIYWEINBCXESH-QGZVFWFLSA-N 0 3 360.410 2.865 20 5 FFBDHN CC(C)CN1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000049969384 507646114 /nfs/dbraw/zinc/64/61/14/507646114.db2.gz FBADTLAPTHNINU-CYBMUJFWSA-N 0 3 368.865 2.849 20 5 FFBDHN CNc1ccc(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000027581305 507669110 /nfs/dbraw/zinc/66/91/10/507669110.db2.gz LRVUCFLCIFYWIM-MRXNPFEDSA-N 0 3 356.426 2.539 20 5 FFBDHN NC(=O)c1ccc(CN(CCOc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000051475362 507772704 /nfs/dbraw/zinc/77/27/04/507772704.db2.gz CEXQUIFAIOHSLG-UHFFFAOYSA-N 0 3 355.394 2.737 20 5 FFBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1CCN(C2CC2)CC1 ZINC000064419349 507796150 /nfs/dbraw/zinc/79/61/50/507796150.db2.gz IRLRZBVUOMAHMU-LLVKDONJSA-N 0 3 367.833 2.759 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCC(CN3CCOCC3)CC2)c2ccncc21 ZINC000052325996 507806602 /nfs/dbraw/zinc/80/66/02/507806602.db2.gz YTCSWXAAVYZJNM-UHFFFAOYSA-N 0 3 356.426 2.692 20 5 FFBDHN COc1cc(NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000089644756 507853208 /nfs/dbraw/zinc/85/32/08/507853208.db2.gz XBUAPUCIIBYBSQ-IRXDYDNUSA-N 0 3 357.410 2.651 20 5 FFBDHN CC[C@H](NC(=O)Nc1ccn(CCN(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000078621215 507890579 /nfs/dbraw/zinc/89/05/79/507890579.db2.gz RIALJJWFFLEHHA-HNNXBMFYSA-N 0 3 360.418 2.626 20 5 FFBDHN CCc1ccc([C@H]2CCCCCN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000075765728 508133114 /nfs/dbraw/zinc/13/31/14/508133114.db2.gz LPWLQSAWIQDKDK-DOTOQJQBSA-N 0 3 362.430 2.925 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN(Cc2cccc(O)c2)CC2CC2)c1 ZINC000112978957 508236902 /nfs/dbraw/zinc/23/69/02/508236902.db2.gz ANFQVJZRNRGSLY-LJQANCHMSA-N 0 3 372.421 2.952 20 5 FFBDHN O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1CCCN1Cc1ccccc1 ZINC000114644909 508333497 /nfs/dbraw/zinc/33/34/97/508333497.db2.gz FGDKRWFKPCRJFG-QGZVFWFLSA-N 0 3 369.421 2.754 20 5 FFBDHN COc1cc(C(=O)N(Cc2ccco2)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000153762337 508644132 /nfs/dbraw/zinc/64/41/32/508644132.db2.gz RDZFOEAGQIYBLW-UHFFFAOYSA-N 0 3 373.409 2.933 20 5 FFBDHN CCOc1ccc([C@@H](C)NC[C@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000153902154 508673865 /nfs/dbraw/zinc/67/38/65/508673865.db2.gz FLSQBSSYHZZVNM-LSDHHAIUSA-N 0 3 351.447 2.612 20 5 FFBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@H](C)C1 ZINC000123422357 508683865 /nfs/dbraw/zinc/68/38/65/508683865.db2.gz MYSUNKDAEPTKJL-KBPBESRZSA-N 0 3 356.426 2.993 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000137432703 508756134 /nfs/dbraw/zinc/75/61/34/508756134.db2.gz YEOILEHXMYXTIN-WBVHZDCISA-N 0 3 368.437 2.786 20 5 FFBDHN C[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Br)CCN1C ZINC000123977414 508766219 /nfs/dbraw/zinc/76/62/19/508766219.db2.gz GICDPHFVCUAYNX-GHMZBOCLSA-N 0 3 370.247 2.912 20 5 FFBDHN C[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Br)CCN1C ZINC000123977640 508766306 /nfs/dbraw/zinc/76/63/06/508766306.db2.gz GICDPHFVCUAYNX-WDEREUQCSA-N 0 3 370.247 2.912 20 5 FFBDHN CN(C)[C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])c1ccccc1 ZINC000137967866 508767517 /nfs/dbraw/zinc/76/75/17/508767517.db2.gz MODAGAZJDLRLIV-QGZVFWFLSA-N 0 3 353.382 2.546 20 5 FFBDHN C[NH+](C)Cc1ccc(CNC(=O)c2[n-]nc3ccc([N+](=O)[O-])cc32)cc1F ZINC000154576825 508812801 /nfs/dbraw/zinc/81/28/01/508812801.db2.gz HOFOWYCVAFMESD-UHFFFAOYSA-N 0 3 371.372 2.602 20 5 FFBDHN COc1ccc(CN(C)C[C@H](C)O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000130830614 508852616 /nfs/dbraw/zinc/85/26/16/508852616.db2.gz CZAUKWQUJQIOFO-AWEZNQCLSA-N 0 3 360.410 2.995 20 5 FFBDHN CN(C)CCn1c2cc(NCc3cccc([N+](=O)[O-])c3)ccc2oc1=O ZINC000124617701 508859970 /nfs/dbraw/zinc/85/99/70/508859970.db2.gz AZGUQLFJHOZXPZ-UHFFFAOYSA-N 0 3 356.382 2.676 20 5 FFBDHN COc1ccccc1CC1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000159792455 508891926 /nfs/dbraw/zinc/89/19/26/508891926.db2.gz ZWODACWWZHOAJF-UHFFFAOYSA-N 0 3 371.437 2.720 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000119970919 508900453 /nfs/dbraw/zinc/90/04/53/508900453.db2.gz LAKNBZFUOFWMNE-KXBFYZLASA-N 0 3 353.422 2.774 20 5 FFBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CCCN(CC(C)C)C1 ZINC000120257079 508959822 /nfs/dbraw/zinc/95/98/22/508959822.db2.gz AIOASBYMSMLWDM-HNNXBMFYSA-N 0 3 369.487 2.550 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc1SC ZINC000120649419 509038234 /nfs/dbraw/zinc/03/82/34/509038234.db2.gz NZLISILUGQDXEJ-AAEUAGOBSA-N 0 3 367.471 2.738 20 5 FFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000120919170 509089184 /nfs/dbraw/zinc/08/91/84/509089184.db2.gz HBMUIVKYJVSING-UKRRQHHQSA-N 0 3 369.487 2.562 20 5 FFBDHN CN(C)Cc1ccc(CNC(=O)CCNc2ccccc2[N+](=O)[O-])cc1 ZINC000248132792 509243189 /nfs/dbraw/zinc/24/31/89/509243189.db2.gz QUYHQTNJPLLOGH-UHFFFAOYSA-N 0 3 356.426 2.775 20 5 FFBDHN Cn1cc(CN2CCC[C@H](C3OCCO3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179366122 509402925 /nfs/dbraw/zinc/40/29/25/509402925.db2.gz OIZSKBOMNKEJEB-HNNXBMFYSA-N 0 3 372.425 2.580 20 5 FFBDHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)c1ccccc1[N+](=O)[O-] ZINC000192210641 509404535 /nfs/dbraw/zinc/40/45/35/509404535.db2.gz JORRAPXWWDNUIR-KRWDZBQOSA-N 0 3 369.421 2.616 20 5 FFBDHN CCOC(=O)c1ccnc(N[C@@H](C)CN2CCCCCC2)c1[N+](=O)[O-] ZINC000185963706 509452278 /nfs/dbraw/zinc/45/22/78/509452278.db2.gz NGSFUVNOUYLQOD-ZDUSSCGKSA-N 0 3 350.419 2.843 20 5 FFBDHN CC(C)(C)OC1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000164906804 509543114 /nfs/dbraw/zinc/54/31/14/509543114.db2.gz JMHWERIYWHLBRY-HNNXBMFYSA-N 0 3 352.431 2.614 20 5 FFBDHN COc1cc(CNCC2(O)CCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237131276 509579378 /nfs/dbraw/zinc/57/93/78/509579378.db2.gz HAHOJIPFWUJMIV-UHFFFAOYSA-N 0 3 364.320 2.549 20 5 FFBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCN(CC(C)(C)O)C[C@H]1C ZINC000189461097 509585963 /nfs/dbraw/zinc/58/59/63/509585963.db2.gz RTXUSDFWMYFXEY-OAHLLOKOSA-N 0 3 365.474 2.659 20 5 FFBDHN Cc1c(NC(=O)[C@@H](C)N2CC[C@@H](N3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000264668565 509634252 /nfs/dbraw/zinc/63/42/52/509634252.db2.gz ZYKWQPOCLHPJMC-HZPDHXFCSA-N 0 3 360.458 2.790 20 5 FFBDHN CC(C)C[C@@H]1OCCC[C@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000186305238 509634404 /nfs/dbraw/zinc/63/44/04/509634404.db2.gz AZVFUDNDGRVGHU-AEFFLSMTSA-N 0 3 361.442 2.667 20 5 FFBDHN Cc1c(NC(=O)[C@@H](C)N2CC[C@H](N3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000264668563 509634710 /nfs/dbraw/zinc/63/47/10/509634710.db2.gz ZYKWQPOCLHPJMC-CVEARBPZSA-N 0 3 360.458 2.790 20 5 FFBDHN CCc1n[nH]c(C(=O)N(CC)[C@@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000192898098 509689665 /nfs/dbraw/zinc/68/96/65/509689665.db2.gz WMXZOFLXGNHBIV-OAHLLOKOSA-N 0 3 371.441 2.617 20 5 FFBDHN CCc1[nH]nc(C(=O)N(CC)[C@@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000192898098 509689672 /nfs/dbraw/zinc/68/96/72/509689672.db2.gz WMXZOFLXGNHBIV-OAHLLOKOSA-N 0 3 371.441 2.617 20 5 FFBDHN Cn1cc(N2CCC[C@@H](N[C@@H]3CCCc4ccc([N+](=O)[O-])cc43)C2)cn1 ZINC000192901024 509691649 /nfs/dbraw/zinc/69/16/49/509691649.db2.gz TXGMRZFXTDFOPP-DNVCBOLYSA-N 0 3 355.442 2.964 20 5 FFBDHN CCc1n[nH]c(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000192904245 509693337 /nfs/dbraw/zinc/69/33/37/509693337.db2.gz ZIWXUWKQTWAGNV-MRXNPFEDSA-N 0 3 373.457 2.767 20 5 FFBDHN NC(=O)C1(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000180100501 509750481 /nfs/dbraw/zinc/75/04/81/509750481.db2.gz OTVNWJMMTIWLDQ-SFHVURJKSA-N 0 3 369.421 2.556 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H](Cc2ccccc2)C2CC2)cc1 ZINC000183399487 509764676 /nfs/dbraw/zinc/76/46/76/509764676.db2.gz JRYHGUDPAQKLJC-IBGZPJMESA-N 0 3 374.462 2.979 20 5 FFBDHN CN(C)C[C@H]1CCCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000268125350 509769741 /nfs/dbraw/zinc/76/97/41/509769741.db2.gz LLPBVMLJBBAXHY-CQSZACIVSA-N 0 3 360.439 2.885 20 5 FFBDHN O=C(NC1CCN(C2CC2)CC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180134856 509770574 /nfs/dbraw/zinc/77/05/74/509770574.db2.gz MCFQQSSLBWARDR-UHFFFAOYSA-N 0 3 355.341 2.553 20 5 FFBDHN CN(C[C@H]1CCCN(C)C1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268193729 509805982 /nfs/dbraw/zinc/80/59/82/509805982.db2.gz XDHNLIMSHVXKGF-LBPRGKRZSA-N 0 3 354.838 2.731 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000193192711 509813706 /nfs/dbraw/zinc/81/37/06/509813706.db2.gz ZJZRURCQKFQNNA-UHFFFAOYSA-N 0 3 368.437 2.735 20 5 FFBDHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000183546703 509854139 /nfs/dbraw/zinc/85/41/39/509854139.db2.gz JYVAIQIEQJXDAI-INIZCTEOSA-N 0 3 355.398 2.948 20 5 FFBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000173920655 509855056 /nfs/dbraw/zinc/85/50/56/509855056.db2.gz FDTFOEZBKGNGOD-UHFFFAOYSA-N 0 3 374.445 2.795 20 5 FFBDHN Cc1c(Br)cc(C(=O)N(C)CCN(C)C2CC2)cc1[N+](=O)[O-] ZINC000186748222 509885694 /nfs/dbraw/zinc/88/56/94/509885694.db2.gz BJSIMPSYKXEUIX-UHFFFAOYSA-N 0 3 370.247 2.832 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CN1C1CC1 ZINC000177195634 509931123 /nfs/dbraw/zinc/93/11/23/509931123.db2.gz FYYSZQRVIJMAAW-WCQYABFASA-N 0 3 367.833 2.759 20 5 FFBDHN COCCCN1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000171149449 509971383 /nfs/dbraw/zinc/97/13/83/509971383.db2.gz WWHPNGSZCSDRSP-UHFFFAOYSA-N 0 3 350.419 2.526 20 5 FFBDHN CN(CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000171167828 509982540 /nfs/dbraw/zinc/98/25/40/509982540.db2.gz ZPWBWXZIHOGBDP-UHFFFAOYSA-N 0 3 356.426 2.569 20 5 FFBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000180587079 510000464 /nfs/dbraw/zinc/00/04/64/510000464.db2.gz MAKRGIMLRAPWDK-UHFFFAOYSA-N 0 3 354.410 2.571 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCNC[C@@H]1c1cccc(F)c1 ZINC000261704138 510034554 /nfs/dbraw/zinc/03/45/54/510034554.db2.gz JZGZPEGRSLDAQU-QGZVFWFLSA-N 0 3 372.400 2.627 20 5 FFBDHN C[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H](C)C1 ZINC000245696779 510092685 /nfs/dbraw/zinc/09/26/85/510092685.db2.gz YIGWJUILVHYUKZ-UONOGXRCSA-N 0 3 358.442 2.855 20 5 FFBDHN CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180830121 510134064 /nfs/dbraw/zinc/13/40/64/510134064.db2.gz FPHSIGFOUWABNC-MRXNPFEDSA-N 0 3 368.437 2.771 20 5 FFBDHN Cc1nc(C(C)C)sc1[C@H](C)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245779942 510142765 /nfs/dbraw/zinc/14/27/65/510142765.db2.gz ZWGOUKXEPLBBLX-GXTWGEPZSA-N 0 3 367.475 2.734 20 5 FFBDHN Cn1ccnc1[C@@H]1CNCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000262048390 510160053 /nfs/dbraw/zinc/16/00/53/510160053.db2.gz QARSCROFEWSRDK-KRWDZBQOSA-N 0 3 367.409 2.735 20 5 FFBDHN COc1cc(C(=O)NC[C@@H](c2ccccc2)N(C)C)cc([N+](=O)[O-])c1C ZINC000190494631 510165233 /nfs/dbraw/zinc/16/52/33/510165233.db2.gz VZUKRFSTTSPNRV-KRWDZBQOSA-N 0 3 357.410 2.945 20 5 FFBDHN Cc1ccccc1CN1CCC(NC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000180940396 510195492 /nfs/dbraw/zinc/19/54/92/510195492.db2.gz RNPFNEQOGNHDNE-UHFFFAOYSA-N 0 3 368.437 2.880 20 5 FFBDHN O=[N+]([O-])c1ccc(CN2CC[C@H]3[C@H](CCCN3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000194078930 510204778 /nfs/dbraw/zinc/20/47/78/510204778.db2.gz SNHQXWXIHBPPGF-DYVFJYSZSA-N 0 3 360.414 2.952 20 5 FFBDHN CC(C)c1ccc(CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000174692786 510253192 /nfs/dbraw/zinc/25/31/92/510253192.db2.gz JJEVMAIOYXHNMD-LJQANCHMSA-N 0 3 358.442 2.940 20 5 FFBDHN COc1ccc2oc([C@H](C)NC[C@@H](O)Cn3cc([N+](=O)[O-])cn3)c(C)c2c1 ZINC000184321282 510261176 /nfs/dbraw/zinc/26/11/76/510261176.db2.gz MDVIGQAYQUULTP-GXTWGEPZSA-N 0 3 374.397 2.566 20 5 FFBDHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(C(F)(F)F)cc1 ZINC000174724108 510271271 /nfs/dbraw/zinc/27/12/71/510271271.db2.gz NGXRBFMVAKTIAG-YGRLFVJLSA-N 0 3 358.320 2.522 20 5 FFBDHN CC1CCN(c2ccc(C(=O)N3CCN[C@@H](C)[C@@H]3C)cc2[N+](=O)[O-])CC1 ZINC000262745393 510393162 /nfs/dbraw/zinc/39/31/62/510393162.db2.gz JLCAYXJMTURZAP-GJZGRUSLSA-N 0 3 360.458 2.654 20 5 FFBDHN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCN[C@H](C)[C@@H]3C)cc2[N+](=O)[O-])C1 ZINC000262743769 510393414 /nfs/dbraw/zinc/39/34/14/510393414.db2.gz FIBCMFOBMCYIRF-QXSJWSMHSA-N 0 3 374.485 2.900 20 5 FFBDHN CCc1ccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)N(C)C)cc1 ZINC000178151023 510460519 /nfs/dbraw/zinc/46/05/19/510460519.db2.gz RMRWNARAEOSKKJ-QGZVFWFLSA-N 0 3 356.426 2.772 20 5 FFBDHN Cc1c(NC(=O)CCN(C)[C@H](CO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000269614237 510484713 /nfs/dbraw/zinc/48/47/13/510484713.db2.gz SDQYSDIPMGLKSV-GOSISDBHSA-N 0 3 357.410 2.897 20 5 FFBDHN COc1ccc(CN(C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1C ZINC000181746112 510571505 /nfs/dbraw/zinc/57/15/05/510571505.db2.gz JXVVNJZWVUODJO-INIZCTEOSA-N 0 3 360.410 2.784 20 5 FFBDHN COc1ccc(OCCN2CCN(C)CC23CCCCC3)c([N+](=O)[O-])c1 ZINC000178401299 510584582 /nfs/dbraw/zinc/58/45/82/510584582.db2.gz IXZDOPVMNGYALI-UHFFFAOYSA-N 0 3 363.458 2.933 20 5 FFBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000266547880 510651457 /nfs/dbraw/zinc/65/14/57/510651457.db2.gz SMBAYXNLDXFYRL-CQSZACIVSA-N 0 3 371.441 2.531 20 5 FFBDHN C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266549321 510652703 /nfs/dbraw/zinc/65/27/03/510652703.db2.gz SVIGGZLYSGGMNA-NHYWBVRUSA-N 0 3 372.347 2.864 20 5 FFBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000175485906 510661227 /nfs/dbraw/zinc/66/12/27/510661227.db2.gz VHTOIXULWLCRBU-CQSZACIVSA-N 0 3 371.393 2.695 20 5 FFBDHN COc1cc(C(=O)N(CCN(C)C)Cc2ccccn2)cc([N+](=O)[O-])c1C ZINC000191443925 510663680 /nfs/dbraw/zinc/66/36/80/510663680.db2.gz VBGCLALFPJWFKX-UHFFFAOYSA-N 0 3 372.425 2.511 20 5 FFBDHN CCCn1ccnc1CCCN(C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000191510492 510696761 /nfs/dbraw/zinc/69/67/61/510696761.db2.gz QUXAEDJIEZEFLV-UHFFFAOYSA-N 0 3 359.430 2.704 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)Cc1cccs1 ZINC000175651846 510713711 /nfs/dbraw/zinc/71/37/11/510713711.db2.gz JXLOXDOIBGTPLU-UHFFFAOYSA-N 0 3 363.439 2.869 20 5 FFBDHN Cc1nc2ccccc2n1C[C@H]1CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000270346377 510770564 /nfs/dbraw/zinc/77/05/64/510770564.db2.gz OUDFUWBUHRXVJA-OAHLLOKOSA-N 0 3 354.414 2.614 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](c2ccnn2C)C1 ZINC000360306182 510894394 /nfs/dbraw/zinc/89/43/94/510894394.db2.gz SJSGKBYXROOYNU-HNNXBMFYSA-N 0 3 371.441 2.845 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC=C(c2ccnn2C)CC1 ZINC000285485515 510925946 /nfs/dbraw/zinc/92/59/46/510925946.db2.gz DDACFNPYPJUHIE-UHFFFAOYSA-N 0 3 369.425 2.755 20 5 FFBDHN CCOc1cc(CN2CCC[C@H](CN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000282583712 511034641 /nfs/dbraw/zinc/03/46/41/511034641.db2.gz WFSYNLNBYUEIDV-QGZVFWFLSA-N 0 3 363.458 2.538 20 5 FFBDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000294567320 511106466 /nfs/dbraw/zinc/10/64/66/511106466.db2.gz JUDOKKZJVRGMKL-KRWDZBQOSA-N 0 3 362.474 2.730 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000282887913 511149092 /nfs/dbraw/zinc/14/90/92/511149092.db2.gz SMSHSCMTGMQRHH-KDOFPFPSSA-N 0 3 364.442 2.651 20 5 FFBDHN Cc1nc(N2CCC[C@@H](N(C)Cc3ccccn3)CC2)ncc1[N+](=O)[O-] ZINC000295044421 511262417 /nfs/dbraw/zinc/26/24/17/511262417.db2.gz OBUNIEMBBZLDLK-MRXNPFEDSA-N 0 3 356.430 2.579 20 5 FFBDHN COc1cccc(COC[C@H](O)CN[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000271813124 511333698 /nfs/dbraw/zinc/33/36/98/511333698.db2.gz YQSNUYSNSPDLCR-GOEBONIOSA-N 0 3 360.410 2.832 20 5 FFBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000295278613 511346235 /nfs/dbraw/zinc/34/62/35/511346235.db2.gz IIMVVQJILXNPBF-CJNGLKHVSA-N 0 3 369.425 2.684 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC=C(c3cccc(Cl)c3)CC2)c1 ZINC000280330585 511422886 /nfs/dbraw/zinc/42/28/86/511422886.db2.gz ZNLMAHMQGSVPDQ-KRWDZBQOSA-N 0 3 362.817 2.595 20 5 FFBDHN COC(=O)c1cc([N+](=O)[O-])c(N2CC[C@]3(CCN(C)C3)C2)cc1Cl ZINC000292209109 511506352 /nfs/dbraw/zinc/50/63/52/511506352.db2.gz HERMXQVOUBPJDV-INIZCTEOSA-N 0 3 353.806 2.567 20 5 FFBDHN CCOc1ccc([C@H](C)N[C@@H](CO)C[C@H](O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000284454135 511729017 /nfs/dbraw/zinc/72/90/17/511729017.db2.gz SRTPNSVCLBPFSL-QEORTHHSSA-N 0 3 354.447 2.802 20 5 FFBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000296450736 511748565 /nfs/dbraw/zinc/74/85/65/511748565.db2.gz IQIPVKGUXWYONM-KDOFPFPSSA-N 0 3 369.425 2.541 20 5 FFBDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000296454813 511748988 /nfs/dbraw/zinc/74/89/88/511748988.db2.gz XEHXFRIQFINIDC-NDMCHQMPSA-N 0 3 367.833 2.978 20 5 FFBDHN CC(C)c1ccc(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)cc1[N+](=O)[O-] ZINC000363898279 511837413 /nfs/dbraw/zinc/83/74/13/511837413.db2.gz ANJXSCBOKIDNEU-QGZVFWFLSA-N 0 3 374.485 2.570 20 5 FFBDHN C[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000296718751 511867751 /nfs/dbraw/zinc/86/77/51/511867751.db2.gz MUFVOGTUQTVFKN-SWLSCSKDSA-N 0 3 361.354 2.594 20 5 FFBDHN C[C@H](c1ccccc1)N1CCC(NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000366199406 511896334 /nfs/dbraw/zinc/89/63/34/511896334.db2.gz GPNDTAQHYHAUQV-CQSZACIVSA-N 0 3 354.410 2.945 20 5 FFBDHN COCCCN1CCC(NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)CC1 ZINC000296884870 511936358 /nfs/dbraw/zinc/93/63/58/511936358.db2.gz WUEYPHXSNFCRND-UHFFFAOYSA-N 0 3 368.409 2.665 20 5 FFBDHN CS(=O)(=O)CCCCCNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000274786787 511942889 /nfs/dbraw/zinc/94/28/89/511942889.db2.gz XAIFFXSKJBKAOR-UHFFFAOYSA-N 0 3 366.386 2.501 20 5 FFBDHN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C1=CCN(C)CC1 ZINC000293532076 511999657 /nfs/dbraw/zinc/99/96/57/511999657.db2.gz RIKNHXCJEZNVPA-JTQLQIEISA-N 0 3 357.332 2.994 20 5 FFBDHN COc1ccccc1COC[C@@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285155763 512020318 /nfs/dbraw/zinc/02/03/18/512020318.db2.gz AETMCWGNSXKFTJ-SFHVURJKSA-N 0 3 374.437 2.655 20 5 FFBDHN CC(C)N1CCN([C@@H]2CCN(c3nc4ccccc4cc3[N+](=O)[O-])C2)CC1 ZINC000364315672 512082867 /nfs/dbraw/zinc/08/28/67/512082867.db2.gz KCMIIVGNSBPJKZ-QGZVFWFLSA-N 0 3 369.469 2.748 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)NC(C)(C)CN2CCCC2)cc1SC ZINC000411086313 512465084 /nfs/dbraw/zinc/46/50/84/512465084.db2.gz OEGCOQDLHRBEGG-UHFFFAOYSA-N 0 3 367.471 2.930 20 5 FFBDHN O=C(CCN[C@]1(CO)CCCc2ccccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC000411673546 512750109 /nfs/dbraw/zinc/75/01/09/512750109.db2.gz KYXRTACTEWADHA-FQEVSTJZSA-N 0 3 369.421 2.737 20 5 FFBDHN Cc1c(CC(=O)N[C@@H]2CN(C)C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000374315533 512762030 /nfs/dbraw/zinc/76/20/30/512762030.db2.gz GAWLSSAIPDSNHO-QZTJIDSGSA-N 0 3 353.422 2.660 20 5 FFBDHN O=C(CCN1CC[C@@H](OCc2ccncc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000376517405 512854021 /nfs/dbraw/zinc/85/40/21/512854021.db2.gz JNNIWDWPKHTABY-GOSISDBHSA-N 0 3 370.409 2.610 20 5 FFBDHN O=C(CCN1C[C@@H](O)C[C@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000411920929 512875201 /nfs/dbraw/zinc/87/52/01/512875201.db2.gz CUAIMRAAEPBEFY-YJBOKZPZSA-N 0 3 355.394 2.731 20 5 FFBDHN O=C(CCN1C[C@@H](O)C[C@@H]1c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411932530 512879524 /nfs/dbraw/zinc/87/95/24/512879524.db2.gz GAEJBUROQPVAKG-ZWKOTPCHSA-N 0 3 355.394 2.731 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000374593393 512907207 /nfs/dbraw/zinc/90/72/07/512907207.db2.gz JFTIWHXXQIGPAW-HLIPFELVSA-N 0 3 372.421 2.702 20 5 FFBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000412052712 512932722 /nfs/dbraw/zinc/93/27/22/512932722.db2.gz YHXWIMKBHPTTEV-UJDVCPFMSA-N 0 3 358.398 2.799 20 5 FFBDHN CC[C@@H]1CCCCN1CCNC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412110895 512965498 /nfs/dbraw/zinc/96/54/98/512965498.db2.gz DZWMPAYWSASLAM-CYBMUJFWSA-N 0 3 367.421 2.666 20 5 FFBDHN Cc1cccc(N2CCC(NC(=O)c3[n-]nc(C(C)C)c3[N+](=O)[O-])CC2)[nH+]1 ZINC000433744447 513139864 /nfs/dbraw/zinc/13/98/64/513139864.db2.gz KAPHBDZMVXRQGB-UHFFFAOYSA-N 0 3 372.429 2.544 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000429024025 513260273 /nfs/dbraw/zinc/26/02/73/513260273.db2.gz GKGYHMQRHGBYCR-FRFSOERESA-N 0 3 360.458 2.504 20 5 FFBDHN COc1ccc(NC(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000415438584 513262784 /nfs/dbraw/zinc/26/27/84/513262784.db2.gz LZDIUTDFPXALOT-LSDHHAIUSA-N 0 3 356.382 2.562 20 5 FFBDHN COc1ccc(OCCN2CCOC[C@@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000429237044 513310945 /nfs/dbraw/zinc/31/09/45/513310945.db2.gz OBQNHYAMAWBIDV-HNNXBMFYSA-N 0 3 350.415 2.731 20 5 FFBDHN CC(=O)N1CCCN(C[C@H]2CCCN(c3cccc(C)c3[N+](=O)[O-])C2)CC1 ZINC000450773504 513334641 /nfs/dbraw/zinc/33/46/41/513334641.db2.gz MPACXDFGTCFAQZ-GOSISDBHSA-N 0 3 374.485 2.674 20 5 FFBDHN COC1([C@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000421844334 513451640 /nfs/dbraw/zinc/45/16/40/513451640.db2.gz TWAQVZRPOAPFPL-AWEZNQCLSA-N 0 3 370.471 2.696 20 5 FFBDHN O=C(Nc1ccc2c(c1)CNCC2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000415881399 513460507 /nfs/dbraw/zinc/46/05/07/513460507.db2.gz IFNSQCDUASZFTQ-UHFFFAOYSA-N 0 3 352.394 2.831 20 5 FFBDHN CC1CCN(C[C@H](O)CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413132563 513471152 /nfs/dbraw/zinc/47/11/52/513471152.db2.gz IYCYVYLNSQHVHP-GFCCVEGCSA-N 0 3 362.352 2.513 20 5 FFBDHN C[C@@H]1CCCCN1CCNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000447812628 513577614 /nfs/dbraw/zinc/57/76/14/513577614.db2.gz NBGOKBQQBZPWAQ-MRXNPFEDSA-N 0 3 362.474 2.713 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000448080292 513671286 /nfs/dbraw/zinc/67/12/86/513671286.db2.gz LXYDLAGVAIYIKR-OAHLLOKOSA-N 0 3 350.419 2.845 20 5 FFBDHN O=[N+]([O-])c1cnn(CCN[C@@H](CCO)c2cccc(C(F)(F)F)c2)c1 ZINC000451313420 513671479 /nfs/dbraw/zinc/67/14/79/513671479.db2.gz WEHBCVDHQXFAJX-AWEZNQCLSA-N 0 3 358.320 2.523 20 5 FFBDHN CO[C@@]1(C)C[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000451482193 513778229 /nfs/dbraw/zinc/77/82/29/513778229.db2.gz CJSYFASDFFNSJB-BBRMVZONSA-N 0 3 355.822 2.980 20 5 FFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C[C@H]1C ZINC000416462475 513784169 /nfs/dbraw/zinc/78/41/69/513784169.db2.gz QPQAACDWGBRDMG-CABCVRRESA-N 0 3 369.487 2.705 20 5 FFBDHN CN(Cc1ccc([N+](=O)[O-])cc1F)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000425967163 513809488 /nfs/dbraw/zinc/80/94/88/513809488.db2.gz NLHSTTCPVSKRDM-HXUWFJFHSA-N 0 3 373.428 2.803 20 5 FFBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCCN2CCC3(CCCCC3)CC2)n1 ZINC000442982255 513835151 /nfs/dbraw/zinc/83/51/51/513835151.db2.gz XDXIDUKDBGTIKQ-UHFFFAOYSA-N 0 3 363.462 2.587 20 5 FFBDHN COc1cc(C(=O)NC[C@H](C)N2CCCC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000448695983 513850082 /nfs/dbraw/zinc/85/00/82/513850082.db2.gz CKYZXQHPJIUYHN-NEPJUHHUSA-N 0 3 353.394 2.735 20 5 FFBDHN C[C@@H]1[C@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCCN1C ZINC000426209178 513872120 /nfs/dbraw/zinc/87/21/20/513872120.db2.gz HNBBBWYXCAPQAC-QMTHXVAHSA-N 0 3 374.363 2.896 20 5 FFBDHN NC(=O)CCN(CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOc2ccccc21 ZINC000451711623 513931261 /nfs/dbraw/zinc/93/12/61/513931261.db2.gz MTIYNLYLKISBKW-GOSISDBHSA-N 0 3 369.421 2.839 20 5 FFBDHN CN(C)[C@@H](CC(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000431618363 513945626 /nfs/dbraw/zinc/94/56/26/513945626.db2.gz PVHZEDZQHMUDFP-SFHVURJKSA-N 0 3 356.426 2.816 20 5 FFBDHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000436721532 513956053 /nfs/dbraw/zinc/95/60/53/513956053.db2.gz KSRRYVQHERQOCZ-QGZVFWFLSA-N 0 3 369.421 2.883 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000426862487 514061437 /nfs/dbraw/zinc/06/14/37/514061437.db2.gz SXWXZXUKTGHXAK-QGZVFWFLSA-N 0 3 357.410 2.945 20 5 FFBDHN CCc1ccccc1[C@@H](N)CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000420283042 514071345 /nfs/dbraw/zinc/07/13/45/514071345.db2.gz SPZYVUDKWCOKSG-AWEZNQCLSA-N 0 3 363.439 2.673 20 5 FFBDHN CCCN(CCN1CCCC1)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000451924846 514074402 /nfs/dbraw/zinc/07/44/02/514074402.db2.gz JQVTTYJDAYECCS-UHFFFAOYSA-N 0 3 371.441 2.933 20 5 FFBDHN CCc1ccccc1[C@@H](N)CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000420289560 514075106 /nfs/dbraw/zinc/07/51/06/514075106.db2.gz ZNERNWUEGHKWQC-LBPRGKRZSA-N 0 3 369.468 2.734 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@]2(CCSC2)C1 ZINC000451964044 514098648 /nfs/dbraw/zinc/09/86/48/514098648.db2.gz INIZLDDUQJSHHO-RHSMWYFYSA-N 0 3 352.456 2.554 20 5 FFBDHN C[C@@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])CCN1C1CCN(C)CC1 ZINC000432137539 514104738 /nfs/dbraw/zinc/10/47/38/514104738.db2.gz HUQPPVNGHFTVPR-CYBMUJFWSA-N 0 3 352.866 2.853 20 5 FFBDHN COc1ccccc1N1CC[C@H](N[C@H](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000449191979 514106220 /nfs/dbraw/zinc/10/62/20/514106220.db2.gz PXXGZWLSIOAHII-ZBFHGGJFSA-N 0 3 369.421 2.930 20 5 FFBDHN CS(=O)(=O)c1cccc(CNCCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000449225770 514122189 /nfs/dbraw/zinc/12/21/89/514122189.db2.gz LEAWCNIMMPBPSX-UHFFFAOYSA-N 0 3 368.842 2.984 20 5 FFBDHN CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCN(C2CC2)C1 ZINC000437289579 514132493 /nfs/dbraw/zinc/13/24/93/514132493.db2.gz QWAGYKHRRRGRRS-CYBMUJFWSA-N 0 3 357.332 2.922 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3CCCN3CCCO)o2)cc1 ZINC000449390472 514190521 /nfs/dbraw/zinc/19/05/21/514190521.db2.gz WFDPOEKBVPIVRO-QGZVFWFLSA-N 0 3 359.426 2.791 20 5 FFBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H]2CCCCN2CCO)o1 ZINC000449389472 514191304 /nfs/dbraw/zinc/19/13/04/514191304.db2.gz DBYAXXNLNYCIDW-HNNXBMFYSA-N 0 3 359.426 2.791 20 5 FFBDHN NC(=O)c1cccc([N+](=O)[O-])c1NC[C@H](c1ccccc1)N1CCCC1 ZINC000420582337 514191997 /nfs/dbraw/zinc/19/19/97/514191997.db2.gz IUCHHPZDPFAFDM-QGZVFWFLSA-N 0 3 354.410 2.943 20 5 FFBDHN NC(=O)c1cccc([N+](=O)[O-])c1NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000420621026 514203959 /nfs/dbraw/zinc/20/39/59/514203959.db2.gz FNPCXCDWNMPHLI-HNNXBMFYSA-N 0 3 354.410 2.628 20 5 FFBDHN CCc1ccccc1[C@H](N)CNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000417172731 514210072 /nfs/dbraw/zinc/21/00/72/514210072.db2.gz GIEVURGPKJYGJT-QGZVFWFLSA-N 0 3 372.425 2.665 20 5 FFBDHN COC[C@]1(C(=O)OC)CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000449460598 514219567 /nfs/dbraw/zinc/21/95/67/514219567.db2.gz ZIJRIHNHUCEEON-IBGZPJMESA-N 0 3 374.393 2.866 20 5 FFBDHN COc1ccc(-c2ccc(CN3CCNC[C@](C)(F)C3)o2)c([N+](=O)[O-])c1 ZINC000414776194 514287197 /nfs/dbraw/zinc/28/71/97/514287197.db2.gz MWTHETJTWXSPMQ-SFHVURJKSA-N 0 3 363.389 2.997 20 5 FFBDHN O=C(N[C@H]1CCCN(CCCO)C1)c1cc2ccccc2c2cccnc12 ZINC000452378664 514321456 /nfs/dbraw/zinc/32/14/56/514321456.db2.gz XBQPUTYVTPBZKI-KRWDZBQOSA-N 0 3 363.461 2.965 20 5 FFBDHN C[C@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCCC[C@H]1C ZINC000444850050 514351282 /nfs/dbraw/zinc/35/12/82/514351282.db2.gz NXVSPXIIPWBEMQ-CHWSQXEVSA-N 0 3 374.445 2.533 20 5 FFBDHN COCCO[C@@H]1COCC[C@H]1N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433062366 514368819 /nfs/dbraw/zinc/36/88/19/514368819.db2.gz OHZXBHTXGDBUMO-FGTMMUONSA-N 0 3 364.442 2.727 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H](CC(F)(F)F)C1 ZINC000420948804 514396583 /nfs/dbraw/zinc/39/65/83/514396583.db2.gz OFFBVIJLQQBHDI-STQMWFEESA-N 0 3 362.348 2.999 20 5 FFBDHN CN(C)C(=O)[C@@H]1CC[C@@H](CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)O1 ZINC000433226821 514428187 /nfs/dbraw/zinc/42/81/87/514428187.db2.gz IFBIZNXZDCDRJG-JQFCIGGWSA-N 0 3 361.442 2.543 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3CNCCO3)o2)c(Cl)c1 ZINC000415090646 514439038 /nfs/dbraw/zinc/43/90/38/514439038.db2.gz AWPLDPRVJDGTSV-ZDUSSCGKSA-N 0 3 351.790 2.586 20 5 FFBDHN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CCN(CC2CCCC2)C1 ZINC000449983030 514452230 /nfs/dbraw/zinc/45/22/30/514452230.db2.gz YIPYMBFYOOVSBS-KRWDZBQOSA-N 0 3 373.453 2.938 20 5 FFBDHN CCOC(=O)[C@]1(COC)CCCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000439484833 514563008 /nfs/dbraw/zinc/56/30/08/514563008.db2.gz FTFLJRHNYIJMST-KBXCAEBGSA-N 0 3 350.415 2.948 20 5 FFBDHN CCc1n[nH]c(C(=O)N(CCN2CCCCCC2)C2CCC2)c1[N+](=O)[O-] ZINC000488880664 514619654 /nfs/dbraw/zinc/61/96/54/514619654.db2.gz VCSQIECJDXNHBI-UHFFFAOYSA-N 0 3 363.462 2.751 20 5 FFBDHN CCc1[nH]nc(C(=O)N(CCN2CCCCCC2)C2CCC2)c1[N+](=O)[O-] ZINC000488880664 514619657 /nfs/dbraw/zinc/61/96/57/514619657.db2.gz VCSQIECJDXNHBI-UHFFFAOYSA-N 0 3 363.462 2.751 20 5 FFBDHN CN(C)CCOc1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1F ZINC000458305753 514700266 /nfs/dbraw/zinc/70/02/66/514700266.db2.gz AZTHPAKJMNWBNW-UHFFFAOYSA-N 0 3 353.375 2.988 20 5 FFBDHN Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC000508529661 514809695 /nfs/dbraw/zinc/80/96/95/514809695.db2.gz YSIXYBNKYGTADV-UHFFFAOYSA-N 0 3 372.473 2.949 20 5 FFBDHN CCn1nc(C)c([N+](=O)[O-])c1N(C)CC1CCN(c2ccncc2)CC1 ZINC000480093338 514839567 /nfs/dbraw/zinc/83/95/67/514839567.db2.gz NZGHSHJLCPHOIG-UHFFFAOYSA-N 0 3 358.446 2.867 20 5 FFBDHN C[C@H](CO)N1CCCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485407076 515028418 /nfs/dbraw/zinc/02/84/18/515028418.db2.gz MKLWUJFQHHYGCR-CQSZACIVSA-N 0 3 374.416 2.689 20 5 FFBDHN NC(=O)c1ccc(CN[C@@H]2CCC[C@@H]2OCc2ccccc2)c([N+](=O)[O-])c1 ZINC000503523320 515065934 /nfs/dbraw/zinc/06/59/34/515065934.db2.gz PBHJWVXYQYHQGK-MJGOQNOKSA-N 0 3 369.421 2.921 20 5 FFBDHN Cc1c(CNC(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000490204009 515140716 /nfs/dbraw/zinc/14/07/16/515140716.db2.gz SKPSJCBKKVNGSV-HBUWYVDXSA-N 0 3 360.458 2.775 20 5 FFBDHN C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CCCN1C ZINC000462701956 515198825 /nfs/dbraw/zinc/19/88/25/515198825.db2.gz PEYSKMCVWKYGFH-ZBFHGGJFSA-N 0 3 356.426 2.885 20 5 FFBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(CCC(F)(F)F)CC3)nc2c1 ZINC000481178117 515236391 /nfs/dbraw/zinc/23/63/91/515236391.db2.gz FWDCOTQFTUACJE-UHFFFAOYSA-N 0 3 357.336 2.936 20 5 FFBDHN Cn1nc2c(c1CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)CCCC2 ZINC000462807088 515253870 /nfs/dbraw/zinc/25/38/70/515253870.db2.gz LNEZNXCIFUHOFK-JKSUJKDBSA-N 0 3 358.446 2.677 20 5 FFBDHN COc1ccc(CNc2cccc(CN3CC[C@@H](O)C3)c2)cc1[N+](=O)[O-] ZINC000462856904 515270283 /nfs/dbraw/zinc/27/02/83/515270283.db2.gz UMCNEOWVCUAISV-QGZVFWFLSA-N 0 3 357.410 2.782 20 5 FFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000481388074 515311158 /nfs/dbraw/zinc/31/11/58/515311158.db2.gz CNZRFEKFJSZRIW-GJZGRUSLSA-N 0 3 369.487 2.705 20 5 FFBDHN CCC[C@H](N[C@@H]1CCOC[C@@H]1OCCOC)c1cccc([N+](=O)[O-])c1 ZINC000486060551 515318200 /nfs/dbraw/zinc/31/82/00/515318200.db2.gz HOTKGQMMUBHNAP-KSZLIROESA-N 0 3 352.431 2.846 20 5 FFBDHN COc1ccc(CNC2CCN(Cc3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000481442866 515329700 /nfs/dbraw/zinc/32/97/00/515329700.db2.gz WURYLWLQDURMDE-UHFFFAOYSA-N 0 3 356.426 2.753 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000509978971 515387822 /nfs/dbraw/zinc/38/78/22/515387822.db2.gz HVSAJGDYSKABPP-KRWDZBQOSA-N 0 3 369.421 2.673 20 5 FFBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000499879355 515490700 /nfs/dbraw/zinc/49/07/00/515490700.db2.gz RZFIRMGACYIUBD-DZGCQCFKSA-N 0 3 354.410 2.742 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCCCN1CCCC[C@H]1C ZINC000481961360 515528853 /nfs/dbraw/zinc/52/88/53/515528853.db2.gz YTMOWCYZHXJSQH-OAHLLOKOSA-N 0 3 369.487 2.754 20 5 FFBDHN COc1cccc([C@H]2[C@@H](NC(=O)c3ccc([N+](=O)[O-])[n-]3)CC[N@@H+]2C2CC2)c1 ZINC000482047141 515558430 /nfs/dbraw/zinc/55/84/30/515558430.db2.gz WAZRZHZECOTURE-YJBOKZPZSA-N 0 3 370.409 2.639 20 5 FFBDHN COc1cccc([C@H]2[C@@H](NC(=O)c3ccc([N+](=O)[O-])[n-]3)CC[N@H+]2C2CC2)c1 ZINC000482047141 515558442 /nfs/dbraw/zinc/55/84/42/515558442.db2.gz WAZRZHZECOTURE-YJBOKZPZSA-N 0 3 370.409 2.639 20 5 FFBDHN Cc1cc(N2CC[C@@H]3CCN(C)C[C@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000486670463 515587901 /nfs/dbraw/zinc/58/79/01/515587901.db2.gz KLWVJWZQFLADNW-WMLDXEAASA-N 0 3 353.426 2.891 20 5 FFBDHN COc1cc(CN2CCN(C)[C@H](C)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000505592546 515600360 /nfs/dbraw/zinc/60/03/60/515600360.db2.gz TUGKJRPHZSOTBQ-VXGBXAGGSA-N 0 3 373.400 2.772 20 5 FFBDHN Cn1cc(C(=O)NCCN2CCCC2(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000457079046 515633121 /nfs/dbraw/zinc/63/31/21/515633121.db2.gz RUMHTCKPUDOKGN-UHFFFAOYSA-N 0 3 371.441 2.600 20 5 FFBDHN C[C@@H]1CN(CCCCNc2nc3ccccc3cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000473515014 515642298 /nfs/dbraw/zinc/64/22/98/515642298.db2.gz UKXAYZFGKRGCEL-GASCZTMLSA-N 0 3 358.442 2.866 20 5 FFBDHN CC(C)OCCN1CCC(Nc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000473520942 515645754 /nfs/dbraw/zinc/64/57/54/515645754.db2.gz JDOYOFCOEUZPRH-UHFFFAOYSA-N 0 3 358.442 2.866 20 5 FFBDHN C[C@@H]1CCCN(c2ccc(C(=O)N3C[C@H](C)NC[C@H]3C)cc2[N+](=O)[O-])C1 ZINC000505880601 515709573 /nfs/dbraw/zinc/70/95/73/515709573.db2.gz WGHCUIOPMJUPIU-QLFBSQMISA-N 0 3 360.458 2.654 20 5 FFBDHN CO[C@H]1C[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000459740687 515781212 /nfs/dbraw/zinc/78/12/12/515781212.db2.gz BNRAASGHTFALPQ-KBPBESRZSA-N 0 3 353.806 2.734 20 5 FFBDHN CC[C@@H]1CCCCN1CCNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000500856658 515883876 /nfs/dbraw/zinc/88/38/76/515883876.db2.gz ICQQNAQATCHATR-MRXNPFEDSA-N 0 3 363.462 2.570 20 5 FFBDHN CN(CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1)Cc1ccccc1 ZINC000511446617 515909562 /nfs/dbraw/zinc/90/95/62/515909562.db2.gz QBOKCAQZVDBGTB-UHFFFAOYSA-N 0 3 354.454 2.849 20 5 FFBDHN COC(=O)COc1ccc(CNC[C@@]2(C)CCCS2)cc1[N+](=O)[O-] ZINC000474344945 516003765 /nfs/dbraw/zinc/00/37/65/516003765.db2.gz DVZXSHZLVOOIDS-MRXNPFEDSA-N 0 3 354.428 2.522 20 5 FFBDHN C[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000488093077 516113477 /nfs/dbraw/zinc/11/34/77/516113477.db2.gz GCEAHFFWXAHQML-QAPCUYQASA-N 0 3 369.469 2.605 20 5 FFBDHN C[C@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1C ZINC000501510801 516132121 /nfs/dbraw/zinc/13/21/21/516132121.db2.gz GENIVHUUFMKSFQ-HUUCEWRRSA-N 0 3 363.462 2.569 20 5 FFBDHN O=C(NC[C@@H]1CCCCN1C1CC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000470164354 516156002 /nfs/dbraw/zinc/15/60/02/516156002.db2.gz UGKTWDHUFSVFTD-AWEZNQCLSA-N 0 3 354.410 2.890 20 5 FFBDHN CC1=CCC[C@@H](C)[C@H]1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000479435580 516192286 /nfs/dbraw/zinc/19/22/86/516192286.db2.gz GKLKQSRSABZSGJ-PBHICJAKSA-N 0 3 352.456 2.951 20 5 FFBDHN C[C@H]1C[C@@H]1N1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H](C)C1 ZINC000488715898 516292997 /nfs/dbraw/zinc/29/29/97/516292997.db2.gz BRBPHCLHAMHVMF-XEZPLFJOSA-N 0 3 357.414 2.811 20 5 FFBDHN CCc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])nn2C)N(CC)CC)cc1 ZINC000554226940 516331884 /nfs/dbraw/zinc/33/18/84/516331884.db2.gz NFPYBDPZNYXHEP-KRWDZBQOSA-N 0 3 373.457 2.704 20 5 FFBDHN COC(=O)[C@H]1CCCC[C@]1(C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000535466820 516367046 /nfs/dbraw/zinc/36/70/46/516367046.db2.gz ZZAZLGVHMLWNOO-KDOFPFPSSA-N 0 3 363.414 2.553 20 5 FFBDHN O=C(N1CCCC1)N1CCC[C@H](NC/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000512885128 516401538 /nfs/dbraw/zinc/40/15/38/516401538.db2.gz KYVSGURXBZJWSL-JZLODUJNSA-N 0 3 358.442 2.878 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000531388798 516445218 /nfs/dbraw/zinc/44/52/18/516445218.db2.gz CVOMBFKJRMAUAF-YOEHRIQHSA-N 0 3 356.426 2.574 20 5 FFBDHN Cc1cccc(NCCN[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000540155444 516457841 /nfs/dbraw/zinc/45/78/41/516457841.db2.gz GBPCFZFLAVVXNG-CQSZACIVSA-N 0 3 357.414 2.717 20 5 FFBDHN COc1ccc(NC(=O)NCC(C)(C)N2CCCCC2)cc1[N+](=O)[O-] ZINC000543888060 516481524 /nfs/dbraw/zinc/48/15/24/516481524.db2.gz UZIIEXYSKBWVES-UHFFFAOYSA-N 0 3 350.419 2.989 20 5 FFBDHN CC(C)Oc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)N(C)C)cc1 ZINC000557934171 516513866 /nfs/dbraw/zinc/51/38/66/516513866.db2.gz DARJVYBOGQVXRJ-SFHVURJKSA-N 0 3 372.425 2.810 20 5 FFBDHN Cc1ccc(CNCCNc2ccc(-c3ccccc3)nn2)cc1[N+](=O)[O-] ZINC000518279458 516598952 /nfs/dbraw/zinc/59/89/52/516598952.db2.gz XHTUCQAJGYGASI-UHFFFAOYSA-N 0 3 363.421 2.984 20 5 FFBDHN C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@H]1C ZINC000544511593 516790730 /nfs/dbraw/zinc/79/07/30/516790730.db2.gz ASDVIFMIYRPGJV-FTLABTOESA-N 0 3 355.394 2.737 20 5 FFBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541063812 516854098 /nfs/dbraw/zinc/85/40/98/516854098.db2.gz DBNVEKTUWAENBP-NSHDSACASA-N 0 3 371.384 2.999 20 5 FFBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000548294591 516878356 /nfs/dbraw/zinc/87/83/56/516878356.db2.gz OANDUJOLUDOXCH-LJQANCHMSA-N 0 3 356.426 2.718 20 5 FFBDHN CCc1ccc([C@@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])N(CC)CC)cc1 ZINC000562187189 516950122 /nfs/dbraw/zinc/95/01/22/516950122.db2.gz WRFUSKFLHHSWOR-OAHLLOKOSA-N 0 3 359.430 2.693 20 5 FFBDHN CS[C@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@H]1N1CCCC1 ZINC000548517010 517030286 /nfs/dbraw/zinc/03/02/86/517030286.db2.gz YRQXZMIMYFTEDV-CVEARBPZSA-N 0 3 374.466 2.728 20 5 FFBDHN Cc1cc(N2CCC[C@H](N[C@@H]3CCc4c3cccc4[N+](=O)[O-])C2)n(C)n1 ZINC000519643230 517101075 /nfs/dbraw/zinc/10/10/75/517101075.db2.gz GPVCIJDWTCAORW-WMLDXEAASA-N 0 3 355.442 2.883 20 5 FFBDHN O=C1CC[C@H](NCc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H](C2CC2)N1 ZINC000559234417 517124784 /nfs/dbraw/zinc/12/47/84/517124784.db2.gz MVVBPAAWNAKPGH-ZFWWWQNUSA-N 0 3 357.332 2.760 20 5 FFBDHN CC(C)N1CCN([C@H]2CCN(c3c4ccccc4ncc3[N+](=O)[O-])C2)CC1 ZINC000515272377 517278267 /nfs/dbraw/zinc/27/82/67/517278267.db2.gz MXRBRJDTWBVUOL-INIZCTEOSA-N 0 3 369.469 2.748 20 5 FFBDHN CCC(CC)[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C)N(C)C ZINC000526328174 517370324 /nfs/dbraw/zinc/37/03/24/517370324.db2.gz IPFYPURFTFRUML-OAHLLOKOSA-N 0 3 357.476 2.548 20 5 FFBDHN CN(C)C[C@H]1CCCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000520497917 517412169 /nfs/dbraw/zinc/41/21/69/517412169.db2.gz KXJMKDHVIURKJJ-MRXNPFEDSA-N 0 3 360.458 2.751 20 5 FFBDHN CCN1CCCC[C@H]1CNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000515915050 517511893 /nfs/dbraw/zinc/51/18/93/517511893.db2.gz NTGLBXPOVQYNGM-AWEZNQCLSA-N 0 3 366.437 2.857 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)c1 ZINC000549328487 517514713 /nfs/dbraw/zinc/51/47/13/517514713.db2.gz IJPMIYLHGUOSFV-MRXNPFEDSA-N 0 3 371.437 2.896 20 5 FFBDHN CN(C)CCc1ccccc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000527341660 517648987 /nfs/dbraw/zinc/64/89/87/517648987.db2.gz YBYNHMGBYNBJAW-UHFFFAOYSA-N 0 3 357.366 2.680 20 5 FFBDHN Cc1ccccc1[C@@H]([C@@H](C)Nc1nccc(C(N)=O)c1[N+](=O)[O-])N(C)C ZINC000516520874 517722711 /nfs/dbraw/zinc/72/27/11/517722711.db2.gz VRAVGXJJVJJRSQ-IUODEOHRSA-N 0 3 357.414 2.500 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@H](c2ccccc2F)C1 ZINC000549813503 517723069 /nfs/dbraw/zinc/72/30/69/517723069.db2.gz OZIGVOJUDQLXLP-LSDHHAIUSA-N 0 3 360.385 2.963 20 5 FFBDHN Cc1sc(C(=O)N(C)CCCN(C)Cc2ccncc2)cc1[N+](=O)[O-] ZINC000556934407 517757121 /nfs/dbraw/zinc/75/71/21/517757121.db2.gz VJYORHAYZAQTAI-UHFFFAOYSA-N 0 3 362.455 2.954 20 5 FFBDHN O=C1C[C@@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CN1C1CC1 ZINC000521632172 517804177 /nfs/dbraw/zinc/80/41/77/517804177.db2.gz VDGMGSIKMCQGHT-ZDUSSCGKSA-N 0 3 355.394 2.955 20 5 FFBDHN CC[C@H](N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)(F)F ZINC000539045563 517895537 /nfs/dbraw/zinc/89/55/37/517895537.db2.gz BDLWUDIWHXTGTA-LJWDBELGSA-N 0 3 363.336 2.603 20 5 FFBDHN C[C@H](O)CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000516956453 517939974 /nfs/dbraw/zinc/93/99/74/517939974.db2.gz IBLDRXYKNNPJFR-HNNXBMFYSA-N 0 3 357.410 2.806 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@H](COc2ccccc2)C1 ZINC000543185954 517954324 /nfs/dbraw/zinc/95/43/24/517954324.db2.gz BKOBWQLZFRATCT-SJORKVTESA-N 0 3 372.421 2.735 20 5 FFBDHN COc1cc(CNC[C@@H](CO)C2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000550275043 517966149 /nfs/dbraw/zinc/96/61/49/517966149.db2.gz OHZKBUCBCBHURJ-HNNXBMFYSA-N 0 3 352.431 2.890 20 5 FFBDHN Cc1cc(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)ccc1[N+](=O)[O-] ZINC000560677975 517967386 /nfs/dbraw/zinc/96/73/86/517967386.db2.gz ADNDEVUAYOKRLL-KRWDZBQOSA-N 0 3 355.394 2.722 20 5 FFBDHN CCCc1n[nH]c(C(=O)NCC(C)(C)N2CCC[C@H](CC)C2)c1[N+](=O)[O-] ZINC000522064517 517974028 /nfs/dbraw/zinc/97/40/28/517974028.db2.gz KTWAFNJHRBYGEX-ZDUSSCGKSA-N 0 3 365.478 2.901 20 5 FFBDHN CCC[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000539422493 518041937 /nfs/dbraw/zinc/04/19/37/518041937.db2.gz PZDYQEXFMHQXCC-SFHVURJKSA-N 0 3 357.458 2.778 20 5 FFBDHN CN(C)CCN(CCCc1ccccc1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000522265115 518053565 /nfs/dbraw/zinc/05/35/65/518053565.db2.gz YFFBRSDNYAOBNY-UHFFFAOYSA-N 0 3 358.442 2.570 20 5 FFBDHN CCc1ccc([C@H](NCC2(O)CCN(C)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543403488 518073114 /nfs/dbraw/zinc/07/31/14/518073114.db2.gz UJDKPSPEZRTHTD-LJQANCHMSA-N 0 3 373.453 2.886 20 5 FFBDHN CCOC(=O)C1(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000543412664 518077858 /nfs/dbraw/zinc/07/78/58/518077858.db2.gz NLRGIKGQMCNFSB-UHFFFAOYSA-N 0 3 372.425 2.818 20 5 FFBDHN C[C@@H]1CCCC[C@@H]1OCCNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000572558153 518246249 /nfs/dbraw/zinc/24/62/49/518246249.db2.gz UEMSMAFADJRGEH-INMHGKMJSA-N 0 3 352.431 2.519 20 5 FFBDHN Cc1cc(NC[C@@H]2CCC3(CCOCC3)[C@H]2O)c2cc([N+](=O)[O-])ccc2n1 ZINC000575884598 518329651 /nfs/dbraw/zinc/32/96/51/518329651.db2.gz LUTFQMPMCDAJAE-LIRRHRJNSA-N 0 3 371.437 2.853 20 5 FFBDHN CCN(C[C@@H]1CCCN1CC)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000567056348 518331798 /nfs/dbraw/zinc/33/17/98/518331798.db2.gz XNEVJBQCGQPUPW-KRWDZBQOSA-N 0 3 371.441 2.727 20 5 FFBDHN Cc1cccc(O[C@@H](C)CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000575981316 518372165 /nfs/dbraw/zinc/37/21/65/518372165.db2.gz GJJNSDFJMJQMTG-RDJZCZTQSA-N 0 3 360.410 2.700 20 5 FFBDHN CC(C)N1CCCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000567158205 518380058 /nfs/dbraw/zinc/38/00/58/518380058.db2.gz NIWUAUQKKSBCCC-UHFFFAOYSA-N 0 3 373.457 2.744 20 5 FFBDHN CCN1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C2CC2)CC1 ZINC000570052093 518419592 /nfs/dbraw/zinc/41/95/92/518419592.db2.gz BAJXQCHPOFPMOT-UHFFFAOYSA-N 0 3 356.430 2.720 20 5 FFBDHN CN(C)c1ccccc1CN(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000576143020 518448772 /nfs/dbraw/zinc/44/87/72/518448772.db2.gz HFHBCJNJDKBSCJ-QGZVFWFLSA-N 0 3 359.426 2.533 20 5 FFBDHN CN1CCO[C@@H]2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@H]21 ZINC000585767606 518590542 /nfs/dbraw/zinc/59/05/42/518590542.db2.gz LSACHTBDMXOVIG-IEBWSBKVSA-N 0 3 357.410 2.760 20 5 FFBDHN C[C@@H](CNC[C@H](O)COc1cccc([N+](=O)[O-])c1)Oc1cccc(F)c1 ZINC000564854394 518655240 /nfs/dbraw/zinc/65/52/40/518655240.db2.gz LYZRRUYUSOORAK-BBRMVZONSA-N 0 3 364.373 2.531 20 5 FFBDHN C[C@@H](CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000570591084 518681343 /nfs/dbraw/zinc/68/13/43/518681343.db2.gz DQVRRWMYTQQORM-CVEARBPZSA-N 0 3 362.474 2.899 20 5 FFBDHN CCc1ccc(S(=O)(=O)N(C)[C@@H]2CCN(CC)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000567771051 518703214 /nfs/dbraw/zinc/70/32/14/518703214.db2.gz OCRJMEHEABPQPG-DZGCQCFKSA-N 0 3 369.487 2.651 20 5 FFBDHN C[C@H](CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000588159364 518738493 /nfs/dbraw/zinc/73/84/93/518738493.db2.gz QNRUANDCJXPYPV-MRXNPFEDSA-N 0 3 362.474 2.899 20 5 FFBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000588883358 518857215 /nfs/dbraw/zinc/85/72/15/518857215.db2.gz QLOWSTVZKJWBSL-MRXNPFEDSA-N 0 3 370.453 2.957 20 5 FFBDHN CSC1(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCN(C)CC1 ZINC000571011491 518883362 /nfs/dbraw/zinc/88/33/62/518883362.db2.gz GTDJVXZRCFDPTP-UHFFFAOYSA-N 0 3 363.439 2.898 20 5 FFBDHN CN(C)CCOc1ccccc1-c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000589066305 518905237 /nfs/dbraw/zinc/90/52/37/518905237.db2.gz HFGZVHWUQOHSMW-UHFFFAOYSA-N 0 3 369.381 2.834 20 5 FFBDHN CCCOc1ccc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000574191336 519031712 /nfs/dbraw/zinc/03/17/12/519031712.db2.gz CIJJBVMHOHJZGR-UHFFFAOYSA-N 0 3 358.398 2.897 20 5 FFBDHN C[C@@H]1CN(CC2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)C[C@@H](C)O1 ZINC000574257133 519065290 /nfs/dbraw/zinc/06/52/90/519065290.db2.gz XSKXBESURGMWKC-ZIAGYGMSSA-N 0 3 373.457 2.797 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@@H](CO)C1CCCCC1)OCCO2 ZINC000590194579 519170894 /nfs/dbraw/zinc/17/08/94/519170894.db2.gz LVHLTEZAFXELBE-HNNXBMFYSA-N 0 3 350.415 2.644 20 5 FFBDHN CCCN(C)[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000574476840 519173460 /nfs/dbraw/zinc/17/34/60/519173460.db2.gz BNEVUNWMDKADFZ-CQSZACIVSA-N 0 3 365.821 2.784 20 5 FFBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590229342 519178120 /nfs/dbraw/zinc/17/81/20/519178120.db2.gz GQSKORACIYRODI-LLVKDONJSA-N 0 3 357.332 2.828 20 5 FFBDHN CC(C)[C@@H](CO)[C@@H](NCc1cc2c(cc1[N+](=O)[O-])OCCO2)C(C)C ZINC000590659171 519305392 /nfs/dbraw/zinc/30/53/92/519305392.db2.gz IOHKOYMZFFILNA-KDOFPFPSSA-N 0 3 352.431 2.745 20 5 FFBDHN CCN1CC[C@H]2OCCN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)[C@H]2C1 ZINC000578086210 519411526 /nfs/dbraw/zinc/41/15/26/519411526.db2.gz NZNSITRUHDULTC-JKSUJKDBSA-N 0 3 373.375 2.909 20 5 FFBDHN O=C1CCCN1[C@H]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000591054546 519492937 /nfs/dbraw/zinc/49/29/37/519492937.db2.gz CETXEECNLUISDN-INIZCTEOSA-N 0 3 361.442 2.841 20 5 FFBDHN COc1ccccc1[C@]1(C)C[C@@H]1NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000581126783 519536936 /nfs/dbraw/zinc/53/69/36/519536936.db2.gz DDIVRBWQBCIOTB-YSSFQJQWSA-N 0 3 372.421 2.663 20 5 FFBDHN CCCCN1CCCC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000566638469 519589852 /nfs/dbraw/zinc/58/98/52/519589852.db2.gz JJGYDRCRBYWJMJ-ZDUSSCGKSA-N 0 3 363.414 2.708 20 5 FFBDHN CCC(C)(C)N1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000594595102 520043349 /nfs/dbraw/zinc/04/33/49/520043349.db2.gz RTMBEEFWYTUNRI-UHFFFAOYSA-N 0 3 360.458 2.798 20 5 FFBDHN O=C(NC1CC1)c1ccc(N[C@@H]2CCCN3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000594604473 520050166 /nfs/dbraw/zinc/05/01/66/520050166.db2.gz ZORZQZBNOXUCOE-NVXWUHKLSA-N 0 3 358.442 2.916 20 5 FFBDHN CCCN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000592004879 520130151 /nfs/dbraw/zinc/13/01/51/520130151.db2.gz CAEAIWYSMICAEO-OAHLLOKOSA-N 0 3 368.865 2.916 20 5 FFBDHN COc1cc(CNCC2(CC(N)=O)CCCCC2)c([N+](=O)[O-])cc1OC ZINC000595001732 520250542 /nfs/dbraw/zinc/25/05/42/520250542.db2.gz WPTFBPVGMMIEKI-UHFFFAOYSA-N 0 3 365.430 2.528 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H](C(C)C)N1CCOCC1 ZINC000595003734 520252142 /nfs/dbraw/zinc/25/21/42/520252142.db2.gz KZFCVEGJXHZPNE-WMLDXEAASA-N 0 3 351.447 2.611 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000595021896 520260934 /nfs/dbraw/zinc/26/09/34/520260934.db2.gz GMXNXOMBGQLZPK-UONOGXRCSA-N 0 3 350.415 2.982 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CCO[C@@H](c2nccn2C)C1 ZINC000595051255 520270328 /nfs/dbraw/zinc/27/03/28/520270328.db2.gz MNEUVBNEFGHJTQ-OGHNNQOOSA-N 0 3 360.414 2.908 20 5 FFBDHN O=C(NC[C@H]1CCN1C1CCCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000600470895 520278514 /nfs/dbraw/zinc/27/85/14/520278514.db2.gz JOBZAGAWPVBHOJ-MRXNPFEDSA-N 0 3 369.425 2.527 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000592252171 520290497 /nfs/dbraw/zinc/29/04/97/520290497.db2.gz UMIYDALNMSZSGJ-UHFFFAOYSA-N 0 3 362.430 2.540 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC(C)(C)[C@@]1(O)CCCOC1 ZINC000595093494 520291469 /nfs/dbraw/zinc/29/14/69/520291469.db2.gz BMRBVPIDMAXERI-FZKQIMNGSA-N 0 3 352.431 2.822 20 5 FFBDHN COC1CCN(C(C)(C)CNC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000609353785 520293432 /nfs/dbraw/zinc/29/34/32/520293432.db2.gz OXZCPHBMRKXZIW-UHFFFAOYSA-N 0 3 350.419 2.606 20 5 FFBDHN COc1ccc(CN(C)C)cc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000603589769 520317192 /nfs/dbraw/zinc/31/71/92/520317192.db2.gz AFSFAHKDFQEQHH-UHFFFAOYSA-N 0 3 359.382 2.926 20 5 FFBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000609549648 520354392 /nfs/dbraw/zinc/35/43/92/520354392.db2.gz GBCDLUBNQNFCCC-CHWSQXEVSA-N 0 3 372.425 2.841 20 5 FFBDHN CCOc1ccc([C@@H](C)NCC(C)(C)[C@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000592398152 520368833 /nfs/dbraw/zinc/36/88/33/520368833.db2.gz QBFGKQYFQKUEMI-ACJLOTCBSA-N 0 3 352.431 2.822 20 5 FFBDHN Cc1nccc([C@H]2CCCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000603834241 520371382 /nfs/dbraw/zinc/37/13/82/520371382.db2.gz NAJMODOOHAIZQX-HNNXBMFYSA-N 0 3 369.425 2.901 20 5 FFBDHN CN(C)CCOc1cccc(NC(=O)NCc2cccc([N+](=O)[O-])c2)c1 ZINC000604475026 520571575 /nfs/dbraw/zinc/57/15/75/520571575.db2.gz MTGPMFXDUXVODL-UHFFFAOYSA-N 0 3 358.398 2.857 20 5 FFBDHN CN1C[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000592881212 520631787 /nfs/dbraw/zinc/63/17/87/520631787.db2.gz LOIYMACHPPUBDB-QAPCUYQASA-N 0 3 357.385 2.809 20 5 FFBDHN Cc1c(C(=O)NC[C@@H]2CN(C)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000592883086 520633489 /nfs/dbraw/zinc/63/34/89/520633489.db2.gz VUUPZGOSELEEGS-AEFFLSMTSA-N 0 3 353.422 2.978 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC2(CCCC2)OC[C@H]1CN(C)C ZINC000598536790 520688848 /nfs/dbraw/zinc/68/88/48/520688848.db2.gz XBMAYNNUDZELPI-MRXNPFEDSA-N 0 3 361.442 2.619 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCCN(C[C@H]3CCCO3)CC2)c2ccncc21 ZINC000610489252 520712338 /nfs/dbraw/zinc/71/23/38/520712338.db2.gz SNOBOYBTUWUBDX-OAHLLOKOSA-N 0 3 356.426 2.834 20 5 FFBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)CCCN1CCCC1 ZINC000601314356 520737218 /nfs/dbraw/zinc/73/72/18/520737218.db2.gz DFYDGRXJLCCYBJ-UHFFFAOYSA-N 0 3 369.487 2.621 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC2CC1(c1ccccc1)C2 ZINC000595910631 520815190 /nfs/dbraw/zinc/81/51/90/520815190.db2.gz WKANZBPEORTUCG-CMVHYPBASA-N 0 3 354.406 2.956 20 5 FFBDHN CN(C)C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000610761868 520833615 /nfs/dbraw/zinc/83/36/15/520833615.db2.gz IPEFOFDEFUDZBJ-HNNXBMFYSA-N 0 3 359.357 2.703 20 5 FFBDHN CC1(C)CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CCN1Cc1ccccc1 ZINC000596115249 520921097 /nfs/dbraw/zinc/92/10/97/520921097.db2.gz SAFNKGWJKOOIRG-UHFFFAOYSA-N 0 3 368.437 2.795 20 5 FFBDHN Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000601728163 520921514 /nfs/dbraw/zinc/92/15/14/520921514.db2.gz NSFWRGGTONMBIR-INIZCTEOSA-N 0 3 371.441 2.503 20 5 FFBDHN CN(c1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000596146590 520938104 /nfs/dbraw/zinc/93/81/04/520938104.db2.gz DZGOGDMXEIPDJI-QGZVFWFLSA-N 0 3 368.437 2.795 20 5 FFBDHN CN(c1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000596146589 520938299 /nfs/dbraw/zinc/93/82/99/520938299.db2.gz DZGOGDMXEIPDJI-KRWDZBQOSA-N 0 3 368.437 2.795 20 5 FFBDHN O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@@H]1CCN1C1CCCCC1 ZINC000598994718 520967098 /nfs/dbraw/zinc/96/70/98/520967098.db2.gz HSJMIJIPZNUGBX-KRWDZBQOSA-N 0 3 360.458 2.844 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596218886 520977322 /nfs/dbraw/zinc/97/73/22/520977322.db2.gz NGNUZEYLAQDVMC-GUYCJALGSA-N 0 3 354.410 2.626 20 5 FFBDHN COC(=O)c1c(Cl)c(N2CC[C@@]3(CCN(C)C3)C2)ccc1[N+](=O)[O-] ZINC000596242778 520989781 /nfs/dbraw/zinc/98/97/81/520989781.db2.gz YLDSKDXIOFCMCU-MRXNPFEDSA-N 0 3 353.806 2.567 20 5 FFBDHN Cn1c(=O)oc2ccc(CN[C@@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)cc21 ZINC000599078632 521019703 /nfs/dbraw/zinc/01/97/03/521019703.db2.gz DNAFALVVGJAYCM-ZIAGYGMSSA-N 0 3 371.397 2.510 20 5 FFBDHN Cc1cc(N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)ncc1[N+](=O)[O-] ZINC000593496676 521032975 /nfs/dbraw/zinc/03/29/75/521032975.db2.gz VRLFQICXLHGHHM-RBUKOAKNSA-N 0 3 368.437 2.778 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(c3cccnc3)CC2)c1 ZINC000611258741 521062589 /nfs/dbraw/zinc/06/25/89/521062589.db2.gz HNPJRTYENCYSJI-GOSISDBHSA-N 0 3 357.410 2.609 20 5 FFBDHN CN1CC[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000593559782 521076327 /nfs/dbraw/zinc/07/63/27/521076327.db2.gz NMFMADGXWJCLPV-LPHOPBHVSA-N 0 3 357.385 2.838 20 5 FFBDHN CCOC(=O)c1ccnc(N[C@@H](C)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000596488637 521096510 /nfs/dbraw/zinc/09/65/10/521096510.db2.gz RVYAONDFZMYRJM-ZDUSSCGKSA-N 0 3 350.419 2.699 20 5 FFBDHN Cn1nc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c2ccccc21 ZINC000618575539 521131729 /nfs/dbraw/zinc/13/17/29/521131729.db2.gz PDTGOBHFXKVBNO-RHSMWYFYSA-N 0 3 354.414 2.952 20 5 FFBDHN CN(CCN1CCCCC1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000593884872 521271575 /nfs/dbraw/zinc/27/15/75/521271575.db2.gz XUOKPUPSANNQJX-UHFFFAOYSA-N 0 3 371.441 2.553 20 5 FFBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000602485287 521373143 /nfs/dbraw/zinc/37/31/43/521373143.db2.gz XIDREEGPSJAOMQ-ZDUSSCGKSA-N 0 3 373.375 2.768 20 5 FFBDHN CN(C)[C@@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1 ZINC000602503312 521384959 /nfs/dbraw/zinc/38/49/59/521384959.db2.gz LURCQKWQMYZGRE-MRXNPFEDSA-N 0 3 354.410 2.999 20 5 FFBDHN COCC[C@H](NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccco1 ZINC000602610359 521435786 /nfs/dbraw/zinc/43/57/86/521435786.db2.gz ZTAFHTPPZNEOMJ-INIZCTEOSA-N 0 3 360.414 2.919 20 5 FFBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000594198966 521464786 /nfs/dbraw/zinc/46/47/86/521464786.db2.gz WQICGJKXWJUHKM-UONOGXRCSA-N 0 3 369.368 2.943 20 5 FFBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594204715 521469022 /nfs/dbraw/zinc/46/90/22/521469022.db2.gz XOKHXFBGRJYQLV-AEFFLSMTSA-N 0 3 369.425 2.527 20 5 FFBDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])c4ccncc34)[C@H]2C1 ZINC000599832685 521501817 /nfs/dbraw/zinc/50/18/17/521501817.db2.gz IGUABJJKGAPLAH-PXAZEXFGSA-N 0 3 355.398 2.701 20 5 FFBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594284292 521537020 /nfs/dbraw/zinc/53/70/20/521537020.db2.gz UXLCAVWDTNONJK-ZWKOTPCHSA-N 0 3 360.458 2.796 20 5 FFBDHN Cn1cc(CN2CCC[C@](O)(C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597203914 521573030 /nfs/dbraw/zinc/57/30/30/521573030.db2.gz ANWGPEJWZWTFEK-LJQANCHMSA-N 0 3 356.426 2.732 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](CC)CN1CCCC1 ZINC000619637855 521806384 /nfs/dbraw/zinc/80/63/84/521806384.db2.gz WBKGUCLSUHOCLC-CYBMUJFWSA-N 0 3 350.419 2.989 20 5 FFBDHN O=[N+]([O-])c1ccc(NCCCN2CCN(Cc3ccccc3)CC2)nc1 ZINC000512737893 561913824 /nfs/dbraw/zinc/91/38/24/561913824.db2.gz AGTNWZJARICTMX-UHFFFAOYSA-N 0 3 355.442 2.610 20 5 FFBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000820253252 606997687 /nfs/dbraw/zinc/99/76/87/606997687.db2.gz HMDGIXOTSMBEOQ-CYBMUJFWSA-N 0 3 352.398 2.886 20 5 FFBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000820253252 606997688 /nfs/dbraw/zinc/99/76/88/606997688.db2.gz HMDGIXOTSMBEOQ-CYBMUJFWSA-N 0 3 352.398 2.886 20 5 FFBDHN C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)N1CCCC1 ZINC000159143740 728901694 /nfs/dbraw/zinc/90/16/94/728901694.db2.gz ACXJCFROBNCIKB-JTQLQIEISA-N 0 3 356.220 2.571 20 5 FFBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000078800679 728304284 /nfs/dbraw/zinc/30/42/84/728304284.db2.gz VPHAPLULBRHJIZ-ZDUSSCGKSA-N 0 3 370.837 2.823 20 5 FFBDHN CCCCN(C)CCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000779893843 738494359 /nfs/dbraw/zinc/49/43/59/738494359.db2.gz WFDKFQSCOJMMOB-UHFFFAOYSA-N 0 3 363.867 2.567 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H]1CC2(CO1)CCOCC2 ZINC000866533655 731071643 /nfs/dbraw/zinc/07/16/43/731071643.db2.gz SZGVRDUMSKWBTI-UKRRQHHQSA-N 0 3 350.415 2.840 20 5 FFBDHN Cc1csc([C@H]2CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000880005892 732817373 /nfs/dbraw/zinc/81/73/73/732817373.db2.gz DSSVFENLICQCFG-ZFWWWQNUSA-N 0 3 363.439 2.589 20 5 FFBDHN CCOc1ccc([C@H](C)NC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1[N+](=O)[O-] ZINC000927042363 738685200 /nfs/dbraw/zinc/68/52/00/738685200.db2.gz YAXURBLOQFHLFI-PRTUASRFSA-N 0 3 368.455 2.752 20 5 FFBDHN C[C@H](Cc1cnccn1)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000883295356 733361689 /nfs/dbraw/zinc/36/16/89/733361689.db2.gz GCROGLVTBMXXHM-SNVBAGLBSA-N 0 3 351.204 2.868 20 5 FFBDHN COc1c([O-])ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)c1[N+](=O)[O-] ZINC000893277499 734679159 /nfs/dbraw/zinc/67/91/59/734679159.db2.gz YZAHZECLQDDSIR-HCKVZZMMSA-N 0 3 356.469 2.778 20 5 FFBDHN CN1CCC[C@H]1CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000895888349 735070460 /nfs/dbraw/zinc/07/04/60/735070460.db2.gz SUTYLFQGBNMEHO-ZETCQYMHSA-N 0 3 350.177 2.865 20 5 FFBDHN CN1C[C@H]2CCN(C(=O)c3cc(F)c(Cl)c([N+](=O)[O-])c3Cl)[C@@H]2C1 ZINC000897826188 735280969 /nfs/dbraw/zinc/28/09/69/735280969.db2.gz VAUXOWMCXWLPML-GMSGAONNSA-N 0 3 362.188 2.817 20 5 FFBDHN COc1cc([C@H](C)NC[C@H]2CC3(CO2)CCOCC3)cc([N+](=O)[O-])c1 ZINC000903212139 736055881 /nfs/dbraw/zinc/05/58/81/736055881.db2.gz KILYREXCCFVDPC-SUMWQHHRSA-N 0 3 350.415 2.840 20 5 FFBDHN C[C@@H](CNCCS(=O)(=O)c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000905643234 736374724 /nfs/dbraw/zinc/37/47/24/736374724.db2.gz KOABGDIYJZHLIZ-ZDUSSCGKSA-N 0 3 366.414 2.901 20 5 FFBDHN CN1CC[C@](O)(CNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000762815749 736870211 /nfs/dbraw/zinc/87/02/11/736870211.db2.gz IHDBYMGQGJCWAE-LBPRGKRZSA-N 0 3 353.728 2.746 20 5 FFBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H]1N1CCCC1 ZINC000763283789 736922804 /nfs/dbraw/zinc/92/28/04/736922804.db2.gz RJCPVGVNBGVRAX-CABCVRRESA-N 0 3 369.874 2.900 20 5 FFBDHN CCN1CCCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910285418 737052976 /nfs/dbraw/zinc/05/29/76/737052976.db2.gz YSZVSSPAUNPWOV-NSHDSACASA-N 0 3 357.357 2.753 20 5 FFBDHN O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])C1CCCN(C2CC2)C1=O ZINC000924057207 738365474 /nfs/dbraw/zinc/36/54/74/738365474.db2.gz AOZATIXCXYEABI-CYBMUJFWSA-N 0 3 352.774 2.692 20 5 FFBDHN C[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788603588 739262998 /nfs/dbraw/zinc/26/29/98/739262998.db2.gz FHTOPLAKJRJLDK-DGCLKSJQSA-N 0 3 350.419 2.837 20 5 FFBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000804407212 740869820 /nfs/dbraw/zinc/86/98/20/740869820.db2.gz RHYXFKKSWUXUKG-HNNXBMFYSA-N 0 3 354.838 2.603 20 5 FFBDHN CS[C@@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000804622367 740889923 /nfs/dbraw/zinc/88/99/23/740889923.db2.gz CMIKXFHFUMPQPD-UONOGXRCSA-N 0 3 352.416 2.519 20 5 FFBDHN Cc1cc(I)cc(C(=O)OCC(C)[N+](=O)[O-])c1C ZINC000813104783 741677503 /nfs/dbraw/zinc/67/75/03/741677503.db2.gz RRNSKBYWAMKTBD-QMMMGPOBSA-N 0 3 363.151 2.730 20 5 FFBDHN CS[C@H]1CN(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000836779641 746304590 /nfs/dbraw/zinc/30/45/90/746304590.db2.gz ICDCPQXLMVTKIQ-KBPBESRZSA-N 0 3 357.863 2.674 20 5 FFBDHN CN(C)CCN(Cc1ccsc1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000838185121 746591433 /nfs/dbraw/zinc/59/14/33/746591433.db2.gz GESKQQYXADOVNN-UHFFFAOYSA-N 0 3 366.418 2.582 20 5 FFBDHN CC[C@](C)(CC(=O)OC)NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839522915 746846612 /nfs/dbraw/zinc/84/66/12/746846612.db2.gz YBSMTTZOFXAZAK-OAHLLOKOSA-N 0 3 357.794 2.508 20 5 FFBDHN CN1CCC(NC(=S)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000840801569 747187227 /nfs/dbraw/zinc/18/72/27/747187227.db2.gz JCJQAAXQHSLYGO-HNNXBMFYSA-N 0 3 362.499 2.743 20 5 FFBDHN O=[N+]([O-])c1cccc([C@@H](O)CNC[C@@H](O)c2c(F)cccc2Cl)c1 ZINC000843084477 747765293 /nfs/dbraw/zinc/76/52/93/747765293.db2.gz BBTQEGOGPWBQBS-LSDHHAIUSA-N 0 3 354.765 2.744 20 5 FFBDHN CCOc1cc(C(=O)O[C@@H](C)CN2CCCC2)c([N+](=O)[O-])cc1OC ZINC000845669979 748301883 /nfs/dbraw/zinc/30/18/83/748301883.db2.gz MUNBYLBBGXZXHD-LBPRGKRZSA-N 0 3 352.387 2.643 20 5 FFBDHN CC([C@H](OC(=O)CCCCc1c[nH]nn1)c1ccccc1F)[N+](=O)[O-] ZINC000845883530 748344540 /nfs/dbraw/zinc/34/45/40/748344540.db2.gz UMPBVOVKKPAETI-BZNIZROVSA-N 0 3 350.350 2.606 20 5 FFBDHN COC(=O)c1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c[nH]1 ZINC000845884089 748344983 /nfs/dbraw/zinc/34/49/83/748344983.db2.gz XHUQRWGWYRSFLZ-XPTSAGLGSA-N 0 3 350.302 2.504 20 5 FFBDHN COc1ccc(CNC[C@@H](O)c2cc(F)c(F)c(F)c2)cc1[N+](=O)[O-] ZINC000850418703 749361988 /nfs/dbraw/zinc/36/19/88/749361988.db2.gz PJUVOKLDOHMMSA-CQSZACIVSA-N 0 3 356.300 2.844 20 5 FFBDHN COC[C@H](NCc1cccc([N+](=O)[O-])c1Br)C1CCOCC1 ZINC000852320885 749833401 /nfs/dbraw/zinc/83/34/01/749833401.db2.gz GTBSHHDKBKPQKB-ZDUSSCGKSA-N 0 3 373.247 2.889 20 5 FFBDHN O=[N+]([O-])c1cccc(Br)c1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000853240765 750036178 /nfs/dbraw/zinc/03/61/78/750036178.db2.gz FJDJOABGWCFMDB-GHMZBOCLSA-N 0 3 356.220 2.632 20 5 FFBDHN O=[N+]([O-])c1cccc(Br)c1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000853240769 750036464 /nfs/dbraw/zinc/03/64/64/750036464.db2.gz FJDJOABGWCFMDB-QWRGUYRKSA-N 0 3 356.220 2.632 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000134885671 960093526 /nfs/dbraw/zinc/09/35/26/960093526.db2.gz WMJVYVJVXGRZTG-NVXWUHKLSA-N 0 3 369.421 2.753 20 5 FFBDHN CCC(=O)N1CC[C@H](NCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000134539143 963986646 /nfs/dbraw/zinc/98/66/46/963986646.db2.gz TWJZYCRDRQEQHX-ZDUSSCGKSA-N 0 3 373.409 2.964 20 5 FFBDHN COc1cccc([C@@H]2CN(CCOc3cccc([N+](=O)[O-])c3)CCN2)c1 ZINC001175578103 1013514340 /nfs/dbraw/zinc/51/43/40/1013514340.db2.gz MQCSOLWMNXIFPC-IBGZPJMESA-N 0 3 357.410 2.629 20 5 FFBDHN Cc1c(Nc2cc3c(cc2[N+](=O)[O-])CNC3)c(=O)n(-c2ccccc2)n1C ZINC001167979282 965611181 /nfs/dbraw/zinc/61/11/81/965611181.db2.gz WKRPCIYPQGPNRL-UHFFFAOYSA-N 0 3 365.393 2.739 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC001175957183 1013595194 /nfs/dbraw/zinc/59/51/94/1013595194.db2.gz YZMKUPMIPWSBCW-MSEWRSJXSA-N 0 3 369.421 2.872 20 5 FFBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCN(C2CCCC2)CC1 ZINC000130116719 980732407 /nfs/dbraw/zinc/73/24/07/980732407.db2.gz SGOMOGNXAZFPBR-UHFFFAOYSA-N 0 3 356.426 2.705 20 5 FFBDHN CCN1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910296444 981902480 /nfs/dbraw/zinc/90/24/80/981902480.db2.gz MXOPPDIBNKYPIX-OAHLLOKOSA-N 0 3 360.458 2.751 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000878087879 1014852780 /nfs/dbraw/zinc/85/27/80/1014852780.db2.gz AOHZTJJLWHUOMB-GOSISDBHSA-N 0 3 362.405 2.684 20 5 FFBDHN CC(COC(=O)Cn1c(COc2ccccc2)nc2ccccc21)[N+](=O)[O-] ZINC000813110653 995625793 /nfs/dbraw/zinc/62/57/93/995625793.db2.gz GQEHDDVZNGIXNH-CQSZACIVSA-N 0 3 369.377 2.824 20 5 FFBDHN C[C@@H]1CCC[C@@H](C)N1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000731212814 997742838 /nfs/dbraw/zinc/74/28/38/997742838.db2.gz GBVBDSCDOSNTQE-HZPDHXFCSA-N 0 3 360.458 2.506 20 5 FFBDHN CC([C@@H](OC(=O)[C@@H](C)NC(=O)OC(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845875108 998677267 /nfs/dbraw/zinc/67/72/67/998677267.db2.gz LOIILMJYMYKPFJ-JTNHKYCSSA-N 0 3 370.377 2.988 20 5 FFBDHN CC([C@H](OC(=O)[C@@H]1CCCc2nn(C)cc21)c1ccccc1F)[N+](=O)[O-] ZINC000845880024 998677755 /nfs/dbraw/zinc/67/77/55/998677755.db2.gz JYMGZNRNSKZAPR-QFSBIZTOSA-N 0 3 361.373 2.929 20 5 FFBDHN CCOC(=O)c1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])on1 ZINC000845882638 998677890 /nfs/dbraw/zinc/67/78/90/998677890.db2.gz PGYPJJGTDJBSFF-LKFCYVNXSA-N 0 3 366.301 2.554 20 5 FFBDHN CC([C@H](OC(=O)CO[C@@H](C)c1nccn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845884102 998678607 /nfs/dbraw/zinc/67/86/07/998678607.db2.gz XKTZAVMGCQIBGG-WQGACYEGSA-N 0 3 365.361 2.587 20 5 FFBDHN CCOCCN(CCOCC)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170348490 1003133338 /nfs/dbraw/zinc/13/33/38/1003133338.db2.gz XSSXFHPJPKENEN-OAHLLOKOSA-N 0 3 354.447 2.909 20 5 FFBDHN CC[C@H](C)NC(=O)c1cccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000776276617 1005342705 /nfs/dbraw/zinc/34/27/05/1005342705.db2.gz LDNHSPSLJXXJAL-IFXJQAMLSA-N 0 3 371.437 2.946 20 5 FFBDHN CC(COC(=O)c1cccc2c1CCN(C(=O)OC(C)(C)C)C2)[N+](=O)[O-] ZINC000851036928 1005858314 /nfs/dbraw/zinc/85/83/14/1005858314.db2.gz NUNCEKBIUCHYRH-GFCCVEGCSA-N 0 3 364.398 2.802 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@H](Cn2cccn2)c2ccccc2)cc1 ZINC000776590088 1006004350 /nfs/dbraw/zinc/00/43/50/1006004350.db2.gz CBDHCVMFTJEXCU-MOPGFXCFSA-N 0 3 352.394 2.856 20 5 FFBDHN CC(=O)c1ccc2c(c1)CCN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000776592938 1006009335 /nfs/dbraw/zinc/00/93/35/1006009335.db2.gz DIRPAAJJFPDALI-FQEVSTJZSA-N 0 3 354.406 2.932 20 5 FFBDHN [NH2+]=c1ccc2nc3c(cc(NC(=O)c4cnn[n-]4)c4ccccc43)oc-2c1 ZINC001189352311 1007048548 /nfs/dbraw/zinc/04/85/48/1007048548.db2.gz XTUWJNOSTHLDFH-UHFFFAOYSA-N 0 3 356.345 2.936 20 5 FFBDHN [NH2+]=c1ccc2nc3c(cc(NC(=O)c4c[n-]nn4)c4ccccc43)oc-2c1 ZINC001189352311 1007048560 /nfs/dbraw/zinc/04/85/60/1007048560.db2.gz XTUWJNOSTHLDFH-UHFFFAOYSA-N 0 3 356.345 2.936 20 5 FFBDHN [NH2+]=c1ccc2nc3c(cc(NC(=O)c4cn[n-]n4)c4ccccc43)oc-2c1 ZINC001189352311 1007048571 /nfs/dbraw/zinc/04/85/71/1007048571.db2.gz XTUWJNOSTHLDFH-UHFFFAOYSA-N 0 3 356.345 2.936 20 5 FFBDHN CC(C)N(C)Cc1cc(O[C@@H]2CCN(c3cccnc3[N+](=O)[O-])C2)ccn1 ZINC000856536413 1007874511 /nfs/dbraw/zinc/87/45/11/1007874511.db2.gz SQDZVGAHVYHXCF-QGZVFWFLSA-N 0 3 371.441 2.883 20 5 FFBDHN Cc1ccc(C2=NO[C@H](CNC[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000819292666 1008084887 /nfs/dbraw/zinc/08/48/87/1008084887.db2.gz VMUUGWWRGDZSJD-PKOBYXMFSA-N 0 3 355.394 2.719 20 5 FFBDHN COc1cccc(CN2CCC(NC(=O)CCC(C)(C)[N+](=O)[O-])CC2)c1 ZINC000822639223 1008709609 /nfs/dbraw/zinc/70/96/09/1008709609.db2.gz PAQBEKPAUGXIAJ-UHFFFAOYSA-N 0 3 363.458 2.611 20 5 FFBDHN CO[C@H]1CN(C)[C@](C)(COC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C1 ZINC000861353162 1009371021 /nfs/dbraw/zinc/37/10/21/1009371021.db2.gz MIMAULZURQFLHR-KDOFPFPSSA-N 0 3 366.414 2.648 20 5 FFBDHN O=[N+]([O-])c1cc(CO)c(N2CCCN(Cc3ccccc3)CC2)cc1F ZINC000865422354 1010782488 /nfs/dbraw/zinc/78/24/88/1010782488.db2.gz SLJMZYGWUOVDIO-UHFFFAOYSA-N 0 3 359.401 2.939 20 5 FFBDHN CN(C)C(=O)[C@H]1CCCN1CCCNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000865499488 1010800083 /nfs/dbraw/zinc/80/00/83/1010800083.db2.gz OUDLFIVNEDEKAC-OAHLLOKOSA-N 0 3 370.400 2.887 20 5 FFBDHN CN(CCN1CC2(C1)CCOCC2)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000866257323 1010963486 /nfs/dbraw/zinc/96/34/86/1010963486.db2.gz XXDHWWIAJHLCJI-UHFFFAOYSA-N 0 3 356.426 2.692 20 5 FFBDHN COc1ccc(CC(=O)N2c3ccccc3[C@@H](N)C2(C)C)cc1[N+](=O)[O-] ZINC000867990975 1011139782 /nfs/dbraw/zinc/13/97/82/1011139782.db2.gz QSTSTJKHOMCORD-GOSISDBHSA-N 0 3 355.394 2.971 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1CCN(C[C@H]3CCCO3)CC1)CC2 ZINC001172912169 1012125978 /nfs/dbraw/zinc/12/59/78/1012125978.db2.gz YMFPRZKCWHJYRH-AZUAARDMSA-N 0 3 359.470 2.639 20 5 FFBDHN CC([C@@H](OC(=O)c1cncc(N2CCCC2)n1)c1ccccc1F)[N+](=O)[O-] ZINC000870454509 1012388913 /nfs/dbraw/zinc/38/89/13/1012388913.db2.gz LXWNBZGZARNDRV-SJKOYZFVSA-N 0 3 374.372 2.779 20 5 FFBDHN COc1ccc(COC[C@H](O)CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000932180597 1020734438 /nfs/dbraw/zinc/73/44/38/1020734438.db2.gz AGCMDYRRRMHXKA-RDTXWAMCSA-N 0 3 360.410 2.832 20 5 FFBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)Cc1ccccn1 ZINC000932211314 1020743623 /nfs/dbraw/zinc/74/36/23/1020743623.db2.gz XLXCCKNGFDNHOX-UHFFFAOYSA-N 0 3 374.466 2.916 20 5 FFBDHN CC(C)CN(Cc1ccccn1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000932450348 1020806621 /nfs/dbraw/zinc/80/66/21/1020806621.db2.gz ZOSDGTAYNHSLOA-QGZVFWFLSA-N 0 3 359.426 2.888 20 5 FFBDHN CN(C(=O)CN1CCCC[C@@H]([C@@H]2CCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000934844351 1021425716 /nfs/dbraw/zinc/42/57/16/1021425716.db2.gz YZIPSESVWNNVGW-HZPDHXFCSA-N 0 3 361.442 2.696 20 5 FFBDHN O=C(CN1CCCC[C@H]([C@H]2CCOC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000934841628 1021426408 /nfs/dbraw/zinc/42/64/08/1021426408.db2.gz NBCALIFUCPDXJQ-IRXDYDNUSA-N 0 3 373.453 2.623 20 5 FFBDHN C[C@H]1NC[C@@H]1Oc1c(Br)cc(Br)cc1[N+](=O)[O-] ZINC001218385336 1033130513 /nfs/dbraw/zinc/13/05/13/1033130513.db2.gz LGVCJOROURHZEO-ANLVUFKYSA-N 0 3 366.009 2.859 20 5 FFBDHN O=C1NCC2(CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)O1 ZINC000783722580 1030254280 /nfs/dbraw/zinc/25/42/80/1030254280.db2.gz GJKLNTHBEHCJJY-UHFFFAOYSA-N 0 3 357.366 2.929 20 5 FFBDHN CC(C)(C)OC[C@H](N)CC(=O)n1c2ccccc2cc2c(=O)c(N)ccc1-2 ZINC001219256036 1033575961 /nfs/dbraw/zinc/57/59/61/1033575961.db2.gz PSXUJHFMLXAZRF-CQSZACIVSA-N 0 3 367.449 2.861 20 5 FFBDHN COCCN1CCC(Oc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC001225662419 1034355683 /nfs/dbraw/zinc/35/56/83/1034355683.db2.gz SPAVRCFATIAILT-UHFFFAOYSA-N 0 3 359.220 2.847 20 5 FFBDHN CCN1CC[C@H](Oc2ccc([N+](=O)[O-])c(I)c2)C1 ZINC001227993245 1035855446 /nfs/dbraw/zinc/85/54/46/1035855446.db2.gz ZQURZKMADYGLHE-JTQLQIEISA-N 0 3 362.167 2.672 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1ccc(C(=O)CCN(C)C)cc1 ZINC001229302657 1036602798 /nfs/dbraw/zinc/60/27/98/1036602798.db2.gz LXVBTAQFIOPLBR-ZDUSSCGKSA-N 0 3 360.414 2.702 20 5 FFBDHN COc1cc(N2CCC(N3CCO[C@@H](C(C)C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256101624 1038387277 /nfs/dbraw/zinc/38/72/77/1038387277.db2.gz PTAUPCKVWZBOOQ-LJQANCHMSA-N 0 3 363.458 2.929 20 5 FFBDHN Cn1cc2cccc(-c3noc(C[C@@H](N)c4ccccc4[N+](=O)[O-])n3)c2n1 ZINC001249342497 1040692899 /nfs/dbraw/zinc/69/28/99/1040692899.db2.gz PFHSJXOUNUBYSF-CQSZACIVSA-N 0 3 364.365 2.774 20 5 FFBDHN COc1ccnc(O[C@H]2CCCN([C@H](C)Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC001254567332 1040805084 /nfs/dbraw/zinc/80/50/84/1040805084.db2.gz BPDGQZPBHQOSIN-ZBFHGGJFSA-N 0 3 372.425 2.868 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@@H](F)[C@](O)(C(F)(F)F)CC1)C2 ZINC001254593150 1040822995 /nfs/dbraw/zinc/82/29/95/1040822995.db2.gz JJDFGGVOJIHBJZ-KFWWJZLASA-N 0 3 362.323 2.789 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCN(CCc3ccccc3)CC1)C2 ZINC001254600759 1040830124 /nfs/dbraw/zinc/83/01/24/1040830124.db2.gz RHPYQNNESWXRIU-NRFANRHFSA-N 0 3 351.450 2.922 20 5 FFBDHN CC(C)N(C)Cc1cc(O[C@@H]2CCN(c3ccncc3[N+](=O)[O-])C2)ccn1 ZINC001261757824 1041401629 /nfs/dbraw/zinc/40/16/29/1041401629.db2.gz FMZLCFNBBSQBOA-QGZVFWFLSA-N 0 3 371.441 2.883 20 5 FFBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCC(C)(C)C1 ZINC001289680312 1047717509 /nfs/dbraw/zinc/71/75/09/1047717509.db2.gz ZXJCGXQOMXREOW-ZDUSSCGKSA-N 0 3 351.472 2.924 20 5 FFBDHN CN(C)[C@@H](CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001330157327 1049061985 /nfs/dbraw/zinc/06/19/85/1049061985.db2.gz NOGKRCWTIGATCF-SFHVURJKSA-N 0 3 354.410 2.923 20 5 FFBDHN CC(COC(=O)C1(C2CCN(C(=O)OC(C)(C)C)CC2)CC1)[N+](=O)[O-] ZINC001346124582 1052759582 /nfs/dbraw/zinc/75/95/82/1052759582.db2.gz WZIHNKUAWHBOEA-LBPRGKRZSA-N 0 3 356.419 2.622 20 5 FFBDHN O=[N+]([O-])c1ccc([C@H](O)CNC[C@](O)(c2ccccc2)C(F)(F)F)cc1 ZINC001356586688 1055598091 /nfs/dbraw/zinc/59/80/91/1055598091.db2.gz VWPZGMIANISAOH-CVEARBPZSA-N 0 3 370.327 2.668 20 5 FFBDHN CCC1(N2CCC2)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001353349433 1056323052 /nfs/dbraw/zinc/32/30/52/1056323052.db2.gz YQRRYFFOCKPKTO-UHFFFAOYSA-N 0 3 367.471 2.542 20 5 FFBDHN C[C@@H](COC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCCCC1 ZINC000847961388 1058523745 /nfs/dbraw/zinc/52/37/45/1058523745.db2.gz WTNWFNKSLKQKAH-AWEZNQCLSA-N 0 3 358.398 2.812 20 5 FFBDHN O=C(Nc1c[nH+]ccc1Nc1ccccc1)c1[n-]nc([N+](=O)[O-])c1Cl ZINC001452704943 1059281421 /nfs/dbraw/zinc/28/14/21/1059281421.db2.gz QJGQSLRGQCOJOO-UHFFFAOYSA-N 0 3 358.745 2.784 20 5 FFBDHN O=[N+]([O-])c1cc2ccccc2nc1N1CCN[C@@H](c2ccc(O)cc2)C1 ZINC001472867701 1059603978 /nfs/dbraw/zinc/60/39/78/1059603978.db2.gz KPOQCHINMAIPOH-QGZVFWFLSA-N 0 3 350.378 3.000 20 5 FFBDHN CCCN(CCN1CCCCC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC001473461962 1065269218 /nfs/dbraw/zinc/26/92/18/1065269218.db2.gz CQRAWHODJBBLFW-IBGZPJMESA-N 0 3 374.485 2.898 20 5 FFBDHN O=C(NC[C@@H]1Cc2ccccc2CN1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC001580672005 1078845419 /nfs/dbraw/zinc/84/54/19/1078845419.db2.gz YXWXKRUVRIXYFJ-AWEZNQCLSA-N 0 3 350.378 2.520 20 5 FFBDHN COCCCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1C)C1CCN(C)CC1 ZINC001583179915 1079174584 /nfs/dbraw/zinc/17/45/84/1079174584.db2.gz UHJCYKHHOKFRFY-UHFFFAOYSA-N 0 3 367.421 2.615 20 5 FFBDHN CC[C@@H](CN1CCOCC1)NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001561014108 1076319299 /nfs/dbraw/zinc/31/92/99/1076319299.db2.gz KWCQRIYSQIPWNL-AWEZNQCLSA-N 0 3 361.364 2.814 20 5 FFBDHN CC(C)[NH+]1CCC(CCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001589708276 1080682184 /nfs/dbraw/zinc/68/21/84/1080682184.db2.gz IWKWSOGCXNHFMS-UHFFFAOYSA-N 0 3 359.434 2.697 20 5 FFBDHN CC(C)[NH+]1CCC(CCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001589708276 1080682188 /nfs/dbraw/zinc/68/21/88/1080682188.db2.gz IWKWSOGCXNHFMS-UHFFFAOYSA-N 0 3 359.434 2.697 20 5 FFBDHN C[C@@H]1C[C@@H](C)C[NH+](CCCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590187835 1081078193 /nfs/dbraw/zinc/07/81/93/1081078193.db2.gz NXFKVPCKFCDPGJ-CHWSQXEVSA-N 0 3 359.434 2.555 20 5 FFBDHN C[C@@H]1C[C@@H](C)C[NH+](CCCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590187835 1081078198 /nfs/dbraw/zinc/07/81/98/1081078198.db2.gz NXFKVPCKFCDPGJ-CHWSQXEVSA-N 0 3 359.434 2.555 20 5 FFBDHN O=[N+]([O-])c1cnc(NCCCOC2CCN(Cc3ccccc3)CC2)nc1 ZINC000273653805 255773952 /nfs/dbraw/zinc/77/39/52/255773952.db2.gz UVKDBZKXRLXKFV-UHFFFAOYSA-N 0 3 371.441 2.868 20 5 FFBDHN CC(C)C(=O)NC[C@H]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000101908646 250092431 /nfs/dbraw/zinc/09/24/31/250092431.db2.gz KUIWGHRYBSFUQA-MRXNPFEDSA-N 0 3 363.458 2.848 20 5 FFBDHN COC(=O)C1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000104661727 250182077 /nfs/dbraw/zinc/18/20/77/250182077.db2.gz CJOHPSJLLVPDGV-UHFFFAOYSA-N 0 3 359.382 2.677 20 5 FFBDHN C[C@H]1SCCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@@H]1C ZINC000118419494 250384762 /nfs/dbraw/zinc/38/47/62/250384762.db2.gz BQEWRORZHSFFTD-VXGBXAGGSA-N 0 3 351.428 2.719 20 5 FFBDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000153459229 251140226 /nfs/dbraw/zinc/14/02/26/251140226.db2.gz GJDGSHPRPOBUPY-UHFFFAOYSA-N 0 3 361.373 2.644 20 5 FFBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000181086015 251240926 /nfs/dbraw/zinc/24/09/26/251240926.db2.gz UPOVRTQZTBAWEP-HNNXBMFYSA-N 0 3 354.410 2.571 20 5 FFBDHN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)CCCn1ccnc1 ZINC000181108609 251242322 /nfs/dbraw/zinc/24/23/22/251242322.db2.gz CVYSTDMVSJDVBM-LBPRGKRZSA-N 0 3 365.821 2.794 20 5 FFBDHN CCN1CCC(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000273127853 252225725 /nfs/dbraw/zinc/22/57/25/252225725.db2.gz QAGLDFVRTSMFGV-UHFFFAOYSA-N 0 3 357.863 2.941 20 5 FFBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000285765126 257003507 /nfs/dbraw/zinc/00/35/07/257003507.db2.gz KUZDWHSNHXVKOR-NVXWUHKLSA-N 0 3 372.469 2.894 20 5 FFBDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000278326676 256300298 /nfs/dbraw/zinc/30/02/98/256300298.db2.gz ARULQZLWYIDGCN-ZDUSSCGKSA-N 0 3 353.850 2.933 20 5 FFBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000282646058 256770207 /nfs/dbraw/zinc/77/02/07/256770207.db2.gz HLTPKNUUMAWRMT-WBMJQRKESA-N 0 3 354.834 2.906 20 5 FFBDHN CCS[C@H]1CCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000286009288 257015852 /nfs/dbraw/zinc/01/58/52/257015852.db2.gz GVCSRIQPRUCGOW-HIFRSBDPSA-N 0 3 353.444 2.806 20 5 FFBDHN CC(C)c1n[nH]c(C(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000287963095 257133872 /nfs/dbraw/zinc/13/38/72/257133872.db2.gz AMIIJTCFAFFLDN-ZDUSSCGKSA-N 0 3 363.393 2.613 20 5 FFBDHN C[C@@H]1CN(CCCNc2ncnc3sc([N+](=O)[O-])cc32)CCCO1 ZINC000287686117 257102476 /nfs/dbraw/zinc/10/24/76/257102476.db2.gz JRRCFMVFCUODKI-LLVKDONJSA-N 0 3 351.432 2.512 20 5 FFBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000288198754 257158956 /nfs/dbraw/zinc/15/89/56/257158956.db2.gz CMDUAHYSMXLYEE-DOTOQJQBSA-N 0 3 372.469 2.894 20 5 FFBDHN CN(C(=O)[C@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])nc1 ZINC000288737658 257222111 /nfs/dbraw/zinc/22/21/11/257222111.db2.gz HCHZJDRACNPWTM-INIZCTEOSA-N 0 3 354.410 2.865 20 5 FFBDHN CN(C)CCOc1ccccc1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000288453997 257190353 /nfs/dbraw/zinc/19/03/53/257190353.db2.gz TXDZLXGYJUHGNS-UHFFFAOYSA-N 0 3 371.437 2.850 20 5 FFBDHN Cc1cnn([C@@H]2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)c1 ZINC000289785869 257299475 /nfs/dbraw/zinc/29/94/75/257299475.db2.gz HLCZZDNPEOSZAW-MRXNPFEDSA-N 0 3 357.414 2.684 20 5 FFBDHN Cc1nc(N2CCCN(CCCc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000294786137 257602739 /nfs/dbraw/zinc/60/27/39/257602739.db2.gz AZXQUYRAHZFAKD-UHFFFAOYSA-N 0 3 355.442 2.838 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(N2CCCCC2)CC1 ZINC000298783137 257940433 /nfs/dbraw/zinc/94/04/33/257940433.db2.gz ADYZZHXGVFGPBX-UHFFFAOYSA-N 0 3 367.471 2.542 20 5 FFBDHN CC(C)(C)CCN1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000301074243 258023373 /nfs/dbraw/zinc/02/33/73/258023373.db2.gz HVGRKXUFUSKFQY-UHFFFAOYSA-N 0 3 359.430 2.802 20 5 FFBDHN Cc1c(CO)cc([N+](=O)[O-])c(NC[C@H](C)N2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301120795 258026665 /nfs/dbraw/zinc/02/66/65/258026665.db2.gz SMDAVRFULWOKMB-NEPJUHHUSA-N 0 3 366.418 2.836 20 5 FFBDHN C[C@H]1CN(CC2CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)C[C@H](C)O1 ZINC000301274960 258039012 /nfs/dbraw/zinc/03/90/12/258039012.db2.gz LPGKXMGKVITGLZ-STQMWFEESA-N 0 3 368.865 2.969 20 5 FFBDHN COc1ccc(NC(=O)CCN(Cc2ccncc2)C2CC2)c([N+](=O)[O-])c1 ZINC000299530743 258002753 /nfs/dbraw/zinc/00/27/53/258002753.db2.gz DSBJEKDTBIWZTM-UHFFFAOYSA-N 0 3 370.409 2.992 20 5 FFBDHN CC[C@@H]1CN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CCN1C[C@H](C)O ZINC000302022642 258083138 /nfs/dbraw/zinc/08/31/38/258083138.db2.gz ORBSVYMQNHZYLG-LSDHHAIUSA-N 0 3 358.442 2.733 20 5 FFBDHN C[C@H]1CN(CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000302499713 258104027 /nfs/dbraw/zinc/10/40/27/258104027.db2.gz CKESUNQWEXYVJK-NSHDSACASA-N 0 3 361.364 2.895 20 5 FFBDHN Cc1cc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302865892 258113021 /nfs/dbraw/zinc/11/30/21/258113021.db2.gz UQBVVMTXNVNJIG-GASCZTMLSA-N 0 3 358.442 2.997 20 5 FFBDHN CN(C)[C@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)c1cccc(F)c1 ZINC000301584652 258057430 /nfs/dbraw/zinc/05/74/30/258057430.db2.gz AQNOUWOROWBNCY-MRXNPFEDSA-N 0 3 374.372 2.780 20 5 FFBDHN O=[N+]([O-])c1cc(F)c(N2CC[C@H](OCCN3CCCCC3)C2)c(F)c1 ZINC000301838838 258070417 /nfs/dbraw/zinc/07/04/17/258070417.db2.gz ZGAIQCAXAPDPFV-AWEZNQCLSA-N 0 3 355.385 2.954 20 5 FFBDHN COc1cc(CN2CCN(C)CC2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000330580230 258166034 /nfs/dbraw/zinc/16/60/34/258166034.db2.gz TWLABGZOQYYSDH-UHFFFAOYSA-N 0 3 359.373 2.731 20 5 FFBDHN C[C@@H]1CCCN(c2ccc(C(=O)N(C)CCN3CCCC3)cc2[N+](=O)[O-])C1 ZINC000331528217 258189627 /nfs/dbraw/zinc/18/96/27/258189627.db2.gz WRXGAYFPKWKUFI-MRXNPFEDSA-N 0 3 374.485 2.999 20 5 FFBDHN C[C@H]1CCCN(c2ccc(C(=O)N3CCC[C@H](N(C)C)C3)cc2[N+](=O)[O-])C1 ZINC000332378584 258227964 /nfs/dbraw/zinc/22/79/64/258227964.db2.gz NTTVVAQSTIAELO-RDJZCZTQSA-N 0 3 374.485 2.997 20 5 FFBDHN C[C@@H]1CN2CCCC[C@@H]2CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000332474808 258231732 /nfs/dbraw/zinc/23/17/32/258231732.db2.gz KZQJCBUARLCRDO-TZMCWYRMSA-N 0 3 366.849 2.745 20 5 FFBDHN C[C@@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCCC[C@@H]1C ZINC000032737681 506287717 /nfs/dbraw/zinc/28/77/17/506287717.db2.gz GBNRWGPDGBDBFG-GJZGRUSLSA-N 0 3 371.441 2.773 20 5 FFBDHN CCCCNC(=O)[C@H]1CC[C@@H](C)N(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000065536705 506319286 /nfs/dbraw/zinc/31/92/86/506319286.db2.gz RVBXBSAZOUOMMX-CVEARBPZSA-N 0 3 363.458 2.990 20 5 FFBDHN Cc1cccc(C(=O)NCc2ccc(OCCN(C)C)cc2)c1[N+](=O)[O-] ZINC000053991887 506472632 /nfs/dbraw/zinc/47/26/32/506472632.db2.gz ZLQWCUYIVINBKK-UHFFFAOYSA-N 0 3 357.410 2.774 20 5 FFBDHN Cc1noc([C@@H]2CCCN(CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000054676248 506600392 /nfs/dbraw/zinc/60/03/92/506600392.db2.gz LJHWIHFIAKILAH-CQSZACIVSA-N 0 3 373.413 2.803 20 5 FFBDHN CN(C)Cc1cccc(CNC(=O)CCNc2ccccc2[N+](=O)[O-])c1 ZINC000043978247 506803734 /nfs/dbraw/zinc/80/37/34/506803734.db2.gz OVCPOOOUYYMAPQ-UHFFFAOYSA-N 0 3 356.426 2.775 20 5 FFBDHN C[C@@H](CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)N(C)C ZINC000068064320 507097614 /nfs/dbraw/zinc/09/76/14/507097614.db2.gz MXQLFATVYPIDJO-KBPBESRZSA-N 0 3 371.441 2.843 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H]1CN1CCCCC1 ZINC000069077583 507399329 /nfs/dbraw/zinc/39/93/29/507399329.db2.gz FJQXDTGHLTWPKY-QGZVFWFLSA-N 0 3 360.458 2.792 20 5 FFBDHN CCOc1cc(C(=O)N[C@@H](C)CN2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000027756087 507681720 /nfs/dbraw/zinc/68/17/20/507681720.db2.gz IWOSNJOVEJBHEZ-ZDUSSCGKSA-N 0 3 365.430 2.606 20 5 FFBDHN CN(C)[C@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000072487679 507798774 /nfs/dbraw/zinc/79/87/74/507798774.db2.gz KSIVEHDLQUCWOZ-GOSISDBHSA-N 0 3 371.441 2.609 20 5 FFBDHN CN(C)CCN(Cc1ccccc1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000072729566 507848798 /nfs/dbraw/zinc/84/87/98/507848798.db2.gz CCPULZZSEACOKB-UHFFFAOYSA-N 0 3 357.410 2.564 20 5 FFBDHN C[C@@H]1CCCCN1CCCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000089619530 507850813 /nfs/dbraw/zinc/85/08/13/507850813.db2.gz ZPAOEMCYBUDYOS-CYBMUJFWSA-N 0 3 355.460 2.675 20 5 FFBDHN C[C@H](NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000090913890 507939405 /nfs/dbraw/zinc/93/94/05/507939405.db2.gz NOZHCLJBAMDXJM-BEVDRBHNSA-N 0 3 355.438 2.881 20 5 FFBDHN O=C(NC[C@H]1CCN(C2CC2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000079683592 507990376 /nfs/dbraw/zinc/99/03/76/507990376.db2.gz FRJSJHXYWLZTHN-SNVBAGLBSA-N 0 3 357.332 2.828 20 5 FFBDHN CN(CC(=O)N1CCC[C@@H]1CN1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000079961382 508020515 /nfs/dbraw/zinc/02/05/15/508020515.db2.gz XYRSFCFOGIGNSN-MRXNPFEDSA-N 0 3 360.458 2.508 20 5 FFBDHN C[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000110351919 508023361 /nfs/dbraw/zinc/02/33/61/508023361.db2.gz PBBBQAADORGCAA-HNNXBMFYSA-N 0 3 357.410 2.610 20 5 FFBDHN C[C@H]1CC(C)(C)C[C@](CO)(NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000080899251 508109825 /nfs/dbraw/zinc/10/98/25/508109825.db2.gz NXPZMEZJZKMWOB-IFXJQAMLSA-N 0 3 363.458 2.725 20 5 FFBDHN O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCN1Cc1ccccc1 ZINC000114644911 508333561 /nfs/dbraw/zinc/33/35/61/508333561.db2.gz FGDKRWFKPCRJFG-KRWDZBQOSA-N 0 3 369.421 2.754 20 5 FFBDHN CCC[C@@H]1CN(Cc2ccc(OC)c([N+](=O)[O-])c2)CCN1CCOC ZINC000121795104 508420481 /nfs/dbraw/zinc/42/04/81/508420481.db2.gz MBRJACAAXVOYHZ-MRXNPFEDSA-N 0 3 351.447 2.536 20 5 FFBDHN O=[N+]([O-])c1cc(CN2CCC(CN3CCOCC3)CC2)ccc1Cl ZINC000122551889 508552969 /nfs/dbraw/zinc/55/29/69/508552969.db2.gz FPTQILDSNWMNOA-UHFFFAOYSA-N 0 3 353.850 2.792 20 5 FFBDHN CN(C)[C@@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000153650111 508617244 /nfs/dbraw/zinc/61/72/44/508617244.db2.gz GEXRCAHFKWOJMP-IBGZPJMESA-N 0 3 368.437 2.965 20 5 FFBDHN CCOc1ccc([C@H](C)NC[C@@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000153902062 508673826 /nfs/dbraw/zinc/67/38/26/508673826.db2.gz FLSQBSSYHZZVNM-CABCVRRESA-N 0 3 351.447 2.612 20 5 FFBDHN CCN1CCCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000118826169 508679722 /nfs/dbraw/zinc/67/97/22/508679722.db2.gz YLZPGSXBRQMGRP-LBPRGKRZSA-N 0 3 354.838 2.603 20 5 FFBDHN O=c1[nH]c2ccccc2cc1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866989 508688628 /nfs/dbraw/zinc/68/86/28/508688628.db2.gz QZBYQPNDDNEYND-HNNXBMFYSA-N 0 3 365.393 2.518 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CN1Cc1ccccc1 ZINC000137495499 508758690 /nfs/dbraw/zinc/75/86/90/508758690.db2.gz MRNWPIYBWQNBGX-UKRRQHHQSA-N 0 3 354.410 2.570 20 5 FFBDHN C[C@H]1C[C@H](N(C)C(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCN1C ZINC000124188208 508794779 /nfs/dbraw/zinc/79/47/79/508794779.db2.gz HEOHYKIAKFFWAO-CMPLNLGQSA-N 0 3 370.247 2.912 20 5 FFBDHN COc1ccc(NC(=O)[C@@H](C)N[C@H]2CC(C)(C)OC2(C)C)c([N+](=O)[O-])c1 ZINC000119803891 508865969 /nfs/dbraw/zinc/86/59/69/508865969.db2.gz CDYLQKQDZNJBIZ-ABAIWWIYSA-N 0 3 365.430 2.866 20 5 FFBDHN CCOc1ccc([C@@H]2CCCN2CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000159702255 508877343 /nfs/dbraw/zinc/87/73/43/508877343.db2.gz QXVGRGKPMWFGAS-SFHVURJKSA-N 0 3 357.410 2.992 20 5 FFBDHN CC1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000159877536 508905105 /nfs/dbraw/zinc/90/51/05/508905105.db2.gz FKRFBTARBVSJTH-UHFFFAOYSA-N 0 3 370.247 2.819 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2ccc(C)o2)c1 ZINC000151078052 508951756 /nfs/dbraw/zinc/95/17/56/508951756.db2.gz AJKOSHWNQZVLIF-UHFFFAOYSA-N 0 3 361.398 2.709 20 5 FFBDHN O=[N+]([O-])c1cnn(CCNCc2ccccc2OCc2cccnc2)c1 ZINC000151255537 508987264 /nfs/dbraw/zinc/98/72/64/508987264.db2.gz ZGVKKTNNNXWAHE-UHFFFAOYSA-N 0 3 353.382 2.555 20 5 FFBDHN CCN1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000151634127 509056917 /nfs/dbraw/zinc/05/69/17/509056917.db2.gz IPJWLWBVUTUTSO-UHFFFAOYSA-N 0 3 370.247 2.500 20 5 FFBDHN CCN1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000120795502 509066247 /nfs/dbraw/zinc/06/62/47/509066247.db2.gz HVJUWDKEGFAKGN-UHFFFAOYSA-N 0 3 370.247 2.914 20 5 FFBDHN CN1CC[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000179137071 509280826 /nfs/dbraw/zinc/28/08/26/509280826.db2.gz PBPFDDWLBMIDCI-ROUUACIJSA-N 0 3 354.410 2.839 20 5 FFBDHN O=C1c2ccccc2CCN1CCNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000189034785 509378434 /nfs/dbraw/zinc/37/84/34/509378434.db2.gz NLAGIFSONFVVQD-VMPITWQZSA-N 0 3 351.406 2.896 20 5 FFBDHN CCN1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000267934616 509676653 /nfs/dbraw/zinc/67/66/53/509676653.db2.gz PRGRDFVWKNMERZ-UHFFFAOYSA-N 0 3 374.210 2.711 20 5 FFBDHN C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000186494257 509737670 /nfs/dbraw/zinc/73/76/70/509737670.db2.gz UFFCAEVQXLPFME-LIRRHRJNSA-N 0 3 356.426 2.814 20 5 FFBDHN CCOC[C@@H](N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000189799804 509759613 /nfs/dbraw/zinc/75/96/13/509759613.db2.gz NOBWNJWVSRMKNM-IUODEOHRSA-N 0 3 353.419 2.581 20 5 FFBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H]2CCS(=O)(=O)C2)s1 ZINC000237956582 509785310 /nfs/dbraw/zinc/78/53/10/509785310.db2.gz BYDCYGFHCULQMS-GFCCVEGCSA-N 0 3 366.464 2.848 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)cc1SC ZINC000268171627 509794538 /nfs/dbraw/zinc/79/45/38/509794538.db2.gz FBNBPGSMWDDZRT-GWCFXTLKSA-N 0 3 365.455 2.538 20 5 FFBDHN C[C@H]1CCCCN1CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176987408 509800623 /nfs/dbraw/zinc/80/06/23/509800623.db2.gz YICOBIHVYMFHOO-NSHDSACASA-N 0 3 370.247 2.962 20 5 FFBDHN COCCN1CC[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000264985390 509810215 /nfs/dbraw/zinc/81/02/15/509810215.db2.gz VLNOGQRGMUTFJQ-AWEZNQCLSA-N 0 3 362.455 2.529 20 5 FFBDHN C[C@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@H](C)C1 ZINC000253542022 509889335 /nfs/dbraw/zinc/88/93/35/509889335.db2.gz MWKCHWVNIGDFBR-CHWSQXEVSA-N 0 3 372.425 2.699 20 5 FFBDHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000177138855 509895449 /nfs/dbraw/zinc/89/54/49/509895449.db2.gz DWXKROFEJHXYPI-CMPLNLGQSA-N 0 3 370.356 2.897 20 5 FFBDHN CN(C)[C@@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])Cc1ccccc1 ZINC000253613207 509904311 /nfs/dbraw/zinc/90/43/11/509904311.db2.gz ZOOALNKVVNLQQB-CQSZACIVSA-N 0 3 367.409 2.828 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)CN1C1CC1 ZINC000177172934 509917515 /nfs/dbraw/zinc/91/75/15/509917515.db2.gz YAQPJSDDWLWLIS-UWVGGRQHSA-N 0 3 368.231 2.712 20 5 FFBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000180606244 510011685 /nfs/dbraw/zinc/01/16/85/510011685.db2.gz AQHFHDORKZUXIS-KRWDZBQOSA-N 0 3 354.410 2.744 20 5 FFBDHN CN(C)[C@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000193684603 510019862 /nfs/dbraw/zinc/01/98/62/510019862.db2.gz ABKDUMBARDVTDA-QGZVFWFLSA-N 0 3 357.410 2.783 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000193784509 510067890 /nfs/dbraw/zinc/06/78/90/510067890.db2.gz CUWIXLUBOVGEIP-MRXNPFEDSA-N 0 3 354.410 2.550 20 5 FFBDHN C[C@@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@@H](c1ccccc1)N(C)C ZINC000187220182 510131337 /nfs/dbraw/zinc/13/13/37/510131337.db2.gz ZDGZOABKHBGRNU-PXAZEXFGSA-N 0 3 371.393 2.745 20 5 FFBDHN COc1ccccc1[C@H]1CNCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000262112383 510180498 /nfs/dbraw/zinc/18/04/98/510180498.db2.gz AZCRSGGODNOXFX-GOSISDBHSA-N 0 3 357.410 2.629 20 5 FFBDHN CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCC[C@H]1O ZINC000245920053 510207517 /nfs/dbraw/zinc/20/75/17/510207517.db2.gz GWYQKHAXGFFSRA-CRAIPNDOSA-N 0 3 358.442 2.978 20 5 FFBDHN CC(C)(C)[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(F)c1 ZINC000181073993 510268083 /nfs/dbraw/zinc/26/80/83/510268083.db2.gz XHDIPAINRPSTAC-HZPDHXFCSA-N 0 3 350.394 2.668 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000174721330 510269213 /nfs/dbraw/zinc/26/92/13/510269213.db2.gz MVZOVJDKHONBLT-JKSUJKDBSA-N 0 3 350.806 2.643 20 5 FFBDHN CC(C)c1[nH]nc(C(=O)Nc2ccc(OCCN(C)C)cc2)c1[N+](=O)[O-] ZINC000269310871 510335771 /nfs/dbraw/zinc/33/57/71/510335771.db2.gz ACGXGNYELXZQJQ-UHFFFAOYSA-N 0 3 361.402 2.634 20 5 FFBDHN CCOC(=O)[C@@H](C)[C@H](C)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000190957723 510433773 /nfs/dbraw/zinc/43/37/73/510433773.db2.gz GLDKJWRWJLRQJJ-STQMWFEESA-N 0 3 360.414 2.673 20 5 FFBDHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000266298927 510504888 /nfs/dbraw/zinc/50/48/88/510504888.db2.gz KNZKPXSRJATNRI-PWSUYJOCSA-N 0 3 357.332 2.922 20 5 FFBDHN O=[N+]([O-])c1cnn(Cc2nc(-c3cccc(CN4CCCCC4)c3)no2)c1 ZINC000172051131 510516860 /nfs/dbraw/zinc/51/68/60/510516860.db2.gz SAFATJNOUJRLPB-UHFFFAOYSA-N 0 3 368.397 2.876 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCN[C@@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000182115875 510765948 /nfs/dbraw/zinc/76/59/48/510765948.db2.gz MRBLVUBLHMMUCM-FQEVSTJZSA-N 0 3 371.437 2.637 20 5 FFBDHN CC(C)C[C@@]1(CO)CCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000191640029 510766510 /nfs/dbraw/zinc/76/65/10/510766510.db2.gz IJXXDFIIHACXOU-GOSISDBHSA-N 0 3 350.415 2.834 20 5 FFBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000246985603 510783343 /nfs/dbraw/zinc/78/33/43/510783343.db2.gz WCDXYMFMJJEDRK-RKVPGOIHSA-N 0 3 372.469 2.871 20 5 FFBDHN C[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000182177055 510796465 /nfs/dbraw/zinc/79/64/65/510796465.db2.gz CXSCMZHJZZCMHP-AAEUAGOBSA-N 0 3 352.337 2.964 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H](Nc2ccccc2)C1 ZINC000182206539 510814422 /nfs/dbraw/zinc/81/44/22/510814422.db2.gz KKHSEBDEYDQSSC-ROUUACIJSA-N 0 3 371.437 2.911 20 5 FFBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000247167336 510847930 /nfs/dbraw/zinc/84/79/30/510847930.db2.gz AQQSGDRHZLQPAI-GXFFZTMASA-N 0 3 370.247 2.770 20 5 FFBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000247182371 510849348 /nfs/dbraw/zinc/84/93/48/510849348.db2.gz BEMANMQPGXHJIF-IINYFYTJSA-N 0 3 370.247 2.770 20 5 FFBDHN CN1CC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@H]1c1ccccc1 ZINC000270607715 510922711 /nfs/dbraw/zinc/92/27/11/510922711.db2.gz DWFFNIBEBHYFFG-VQIMIIECSA-N 0 3 373.384 2.674 20 5 FFBDHN O=[N+]([O-])c1cnn(CCN[C@@H](CCO)c2ccc(Cl)c(Cl)c2)c1 ZINC000285558905 510954970 /nfs/dbraw/zinc/95/49/70/510954970.db2.gz MXNOFIKWIVIXLR-AWEZNQCLSA-N 0 3 359.213 2.811 20 5 FFBDHN COc1cc(C(=O)N(CCN(C)C)Cc2ccco2)c([N+](=O)[O-])cc1F ZINC000297801647 511072719 /nfs/dbraw/zinc/07/27/19/511072719.db2.gz ROEAPNJJHWMZFR-UHFFFAOYSA-N 0 3 365.361 2.540 20 5 FFBDHN COc1cc(NCC2(N3CCCC3)CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000271067487 511073706 /nfs/dbraw/zinc/07/37/06/511073706.db2.gz CYWQWDNSAHBTLR-UHFFFAOYSA-N 0 3 353.394 2.799 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000282887919 511149682 /nfs/dbraw/zinc/14/96/82/511149682.db2.gz SMSHSCMTGMQRHH-RDTXWAMCSA-N 0 3 364.442 2.651 20 5 FFBDHN COc1cc(CNCCN2CC=CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000279657389 511165165 /nfs/dbraw/zinc/16/51/65/511165165.db2.gz FVRSYKVDTWHGSP-UHFFFAOYSA-N 0 3 371.384 2.599 20 5 FFBDHN COCCCN(C(=O)c1cc([N+](=O)[O-])c(C)s1)C1CCN(C)CC1 ZINC000291437574 511197691 /nfs/dbraw/zinc/19/76/91/511197691.db2.gz MNCKCOKJCHXQOB-UHFFFAOYSA-N 0 3 355.460 2.538 20 5 FFBDHN CC(=O)c1ccc(OC[C@@H](O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000294946036 511230627 /nfs/dbraw/zinc/23/06/27/511230627.db2.gz AHAOLLOBCBJHDK-UGSOOPFHSA-N 0 3 358.394 2.888 20 5 FFBDHN COc1ccc([C@H](CO)N(C)CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000283224163 511284744 /nfs/dbraw/zinc/28/47/44/511284744.db2.gz IDHKAZLUZNHRIA-SFHVURJKSA-N 0 3 373.409 2.597 20 5 FFBDHN COc1ccccc1COC[C@H](O)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271727453 511302040 /nfs/dbraw/zinc/30/20/40/511302040.db2.gz MIEPPAYUKWBYEN-GDBMZVCRSA-N 0 3 360.410 2.832 20 5 FFBDHN C[C@@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000295283127 511347501 /nfs/dbraw/zinc/34/75/01/511347501.db2.gz HXJQAJWEVLXRAU-NSHDSACASA-N 0 3 369.824 2.873 20 5 FFBDHN COC(=O)C1CCN(CCCNc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000298657270 511364688 /nfs/dbraw/zinc/36/46/88/511364688.db2.gz CXEYMWUCRRYNKH-UHFFFAOYSA-N 0 3 372.425 2.830 20 5 FFBDHN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H](N2CCCC2)C1 ZINC000365378767 511414228 /nfs/dbraw/zinc/41/42/28/511414228.db2.gz SOVBUURBIMMPSI-AWEZNQCLSA-N 0 3 367.833 2.714 20 5 FFBDHN COC(=O)c1cc([N+](=O)[O-])c(N2CC[C@@]3(CCN(C)C3)C2)cc1Cl ZINC000292209116 511506248 /nfs/dbraw/zinc/50/62/48/511506248.db2.gz HERMXQVOUBPJDV-MRXNPFEDSA-N 0 3 353.806 2.567 20 5 FFBDHN COCCOC1(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000295854134 511536524 /nfs/dbraw/zinc/53/65/24/511536524.db2.gz BDODIXOGYXSDKM-SFHVURJKSA-N 0 3 364.442 2.774 20 5 FFBDHN CCC(=O)c1ccc(NC[C@@H](C)CN2CCN(CC)CC2)c([N+](=O)[O-])c1 ZINC000280631915 511540446 /nfs/dbraw/zinc/54/04/46/511540446.db2.gz CKHYYJQEFACTQR-OAHLLOKOSA-N 0 3 362.474 2.873 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](c2nccn2C)C1 ZINC000365633339 511570983 /nfs/dbraw/zinc/57/09/83/511570983.db2.gz VHESNDUSEWTSCE-HNNXBMFYSA-N 0 3 371.441 2.845 20 5 FFBDHN O=C(c1ccc([N+](=O)[O-])cn1)N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000365738130 511629709 /nfs/dbraw/zinc/62/97/09/511629709.db2.gz GSIQZPFMMMFERD-IAGOWNOFSA-N 0 3 366.421 2.584 20 5 FFBDHN Cn1c(CCN2CCC(n3ccc([N+](=O)[O-])n3)CC2)nc2ccccc21 ZINC000365818873 511667724 /nfs/dbraw/zinc/66/77/24/511667724.db2.gz HLSOUWPKWPULSM-UHFFFAOYSA-N 0 3 354.414 2.558 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](c2ccc(F)cc2)N(C)C)n1 ZINC000281020522 511691280 /nfs/dbraw/zinc/69/12/80/511691280.db2.gz SDEXWAHUHWRPMK-OAHLLOKOSA-N 0 3 362.361 2.630 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)NC2(CN(C)C)CCC2)cc1SC ZINC000281039204 511698196 /nfs/dbraw/zinc/69/81/96/511698196.db2.gz IUAMCSKSFZWBQF-UHFFFAOYSA-N 0 3 353.444 2.539 20 5 FFBDHN CC1(C)[C@H](NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]2CCO[C@@H]21 ZINC000296489520 511764819 /nfs/dbraw/zinc/76/48/19/511764819.db2.gz YTAMZCBXMWCUBY-VQISRLSMSA-N 0 3 353.806 2.590 20 5 FFBDHN CN1CC[C@@]2(CCN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000293094081 511837848 /nfs/dbraw/zinc/83/78/48/511837848.db2.gz TUNDGJSFLXEOEG-LJQANCHMSA-N 0 3 360.458 2.655 20 5 FFBDHN C[C@H](NC[C@@](C)(O)CNC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000296688152 511855156 /nfs/dbraw/zinc/85/51/56/511855156.db2.gz JIHYLCQJYGDRHJ-YVEFUNNKSA-N 0 3 353.419 2.521 20 5 FFBDHN C[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000296718753 511867860 /nfs/dbraw/zinc/86/78/60/511867860.db2.gz MUFVOGTUQTVFKN-WFASDCNBSA-N 0 3 361.354 2.594 20 5 FFBDHN C[C@H](NCC(=O)NC[C@@H](c1ccccc1)N(C)C)c1ccccc1[N+](=O)[O-] ZINC000274667535 511905278 /nfs/dbraw/zinc/90/52/78/511905278.db2.gz RPADCHPPUMGIPO-KXBFYZLASA-N 0 3 370.453 2.665 20 5 FFBDHN CN1CCN(CCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1(C)C ZINC000281670327 511926420 /nfs/dbraw/zinc/92/64/20/511926420.db2.gz PNMNTMMWTJJGRC-UHFFFAOYSA-N 0 3 358.389 2.634 20 5 FFBDHN COc1ccc(NC(=O)N2CCN(C3CCC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000296904783 511944583 /nfs/dbraw/zinc/94/45/83/511944583.db2.gz SGYYRQWJRKMPFV-ZDUSSCGKSA-N 0 3 362.430 2.942 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000297042678 511997176 /nfs/dbraw/zinc/99/71/76/511997176.db2.gz XINYSGHIUFKYOF-ZDUSSCGKSA-N 0 3 362.430 2.942 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCN(C(C)C)CC1 ZINC000282067514 512064486 /nfs/dbraw/zinc/06/44/86/512064486.db2.gz WMKMCLUIVADBCN-UHFFFAOYSA-N 0 3 350.419 2.942 20 5 FFBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000369556222 512477023 /nfs/dbraw/zinc/47/70/23/512477023.db2.gz KCAXEJVISHCLRE-CRAIPNDOSA-N 0 3 352.394 2.746 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(Cc2cccnc2)CC1 ZINC000371688309 512527874 /nfs/dbraw/zinc/52/78/74/512527874.db2.gz FVELRWKZJNRVQG-GOSISDBHSA-N 0 3 371.437 2.684 20 5 FFBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCN(C2CCOCC2)CC1 ZINC000371822943 512589234 /nfs/dbraw/zinc/58/92/34/512589234.db2.gz ADUGKMUEKBBYTA-UHFFFAOYSA-N 0 3 363.458 2.679 20 5 FFBDHN Cc1c(NC(=O)CCN2CCC(c3c[nH]cn3)CC2)cccc1[N+](=O)[O-] ZINC000374200861 512705808 /nfs/dbraw/zinc/70/58/08/512705808.db2.gz SBQGBDPPDRBMKE-UHFFFAOYSA-N 0 3 357.414 2.835 20 5 FFBDHN Cn1cc([C@H](O)C[C@H]2CCCN2C/C=C/c2ccccc2[N+](=O)[O-])cn1 ZINC000374258060 512733273 /nfs/dbraw/zinc/73/32/73/512733273.db2.gz ULOBHHVIHUHGCP-JNTLCICBSA-N 0 3 356.426 2.930 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CNC1(CO)C2CC3CC(C2)CC1C3 ZINC000412003026 512908734 /nfs/dbraw/zinc/90/87/34/512908734.db2.gz OCNVLNSHOMIRPE-UHFFFAOYSA-N 0 3 373.453 2.619 20 5 FFBDHN Cc1cc(NCC2(O)CCN(Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000397623122 512947830 /nfs/dbraw/zinc/94/78/30/512947830.db2.gz WXHDQBGFLHEKRU-UHFFFAOYSA-N 0 3 356.426 2.737 20 5 FFBDHN COc1ccc(C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000370503341 512966961 /nfs/dbraw/zinc/96/69/61/512966961.db2.gz RIWSKASHQJYWNQ-AWEZNQCLSA-N 0 3 371.393 2.573 20 5 FFBDHN O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000368602574 513021353 /nfs/dbraw/zinc/02/13/53/513021353.db2.gz KCCKKCXWPMYAQS-HXUWFJFHSA-N 0 3 366.421 2.728 20 5 FFBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000445882842 513138019 /nfs/dbraw/zinc/13/80/19/513138019.db2.gz ARCLBQHASRDIHD-GJZGRUSLSA-N 0 3 360.458 2.783 20 5 FFBDHN C[C@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)N1CCC[C@@H](C)C1 ZINC000445887808 513139016 /nfs/dbraw/zinc/13/90/16/513139016.db2.gz UTXNTDQZZXHQOK-HUUCEWRRSA-N 0 3 360.458 2.783 20 5 FFBDHN Cc1cc(CN)cc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000424448143 513150763 /nfs/dbraw/zinc/15/07/63/513150763.db2.gz XHYNVWICHLJIFZ-UHFFFAOYSA-N 0 3 369.425 2.716 20 5 FFBDHN CN(C)[C@]1(CNc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CCSC1 ZINC000450362559 513158594 /nfs/dbraw/zinc/15/85/94/513158594.db2.gz GQZDICZFTRKAPP-INIZCTEOSA-N 0 3 364.496 2.989 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000446223667 513212289 /nfs/dbraw/zinc/21/22/89/513212289.db2.gz AFYWAMWAUSNYDS-QWHCGFSZSA-N 0 3 357.863 2.674 20 5 FFBDHN CC(C)(NCCc1nnnn1-c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000429257643 513318211 /nfs/dbraw/zinc/31/82/11/513318211.db2.gz SUYFBOPMSSFIEB-UHFFFAOYSA-N 0 3 352.398 2.638 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2ccc(CNCC3(N4CCOCC4)CC3)o2)c1 ZINC000434797425 513432646 /nfs/dbraw/zinc/43/26/46/513432646.db2.gz YDEHLDQYKHYKDJ-UHFFFAOYSA-N 0 3 357.410 2.809 20 5 FFBDHN NC(=O)Nc1ccc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447535694 513500681 /nfs/dbraw/zinc/50/06/81/513500681.db2.gz HTBVADQJVXVAMS-LSDHHAIUSA-N 0 3 358.402 2.555 20 5 FFBDHN CN1C(=O)NCC12CCN(Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)CC2 ZINC000425373302 513533971 /nfs/dbraw/zinc/53/39/71/513533971.db2.gz PISOEVIUZGJUOE-UHFFFAOYSA-N 0 3 370.409 2.844 20 5 FFBDHN O=[N+]([O-])c1cc(Br)ccc1CN1CCN(CC2CC2)CC1 ZINC000425406267 513548465 /nfs/dbraw/zinc/54/84/65/513548465.db2.gz MJJJTMXJQSVPJP-UHFFFAOYSA-N 0 3 354.248 2.885 20 5 FFBDHN CCc1[nH]nc(C(=O)Nc2cccc3c2OCC[C@H]3N(C)C)c1[N+](=O)[O-] ZINC000447724159 513553632 /nfs/dbraw/zinc/55/36/32/513553632.db2.gz UHPZGJAPSKUZSA-CYBMUJFWSA-N 0 3 359.386 2.518 20 5 FFBDHN CCc1[n-]nc(C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)c1[N+](=O)[O-] ZINC000447724159 513553638 /nfs/dbraw/zinc/55/36/38/513553638.db2.gz UHPZGJAPSKUZSA-CYBMUJFWSA-N 0 3 359.386 2.518 20 5 FFBDHN CN(c1ccccc1)c1ccc(CN[C@H](CO)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000447965163 513640451 /nfs/dbraw/zinc/64/04/51/513640451.db2.gz HTHQGGZDVRKTIV-XLIONFOSSA-N 0 3 371.437 2.992 20 5 FFBDHN CN(C)CCN(Cc1ccsc1)c1nc2sccn2c1[N+](=O)[O-] ZINC000413463457 513669430 /nfs/dbraw/zinc/66/94/30/513669430.db2.gz YQROXLXKTTYAMG-UHFFFAOYSA-N 0 3 351.457 2.934 20 5 FFBDHN O=[N+]([O-])c1cnn(CCN[C@H](CCO)c2cccc(C(F)(F)F)c2)c1 ZINC000451313421 513671222 /nfs/dbraw/zinc/67/12/22/513671222.db2.gz WEHBCVDHQXFAJX-CQSZACIVSA-N 0 3 358.320 2.523 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1c2ccccc2CC[C@@H]1CN(C)C ZINC000425636214 513672857 /nfs/dbraw/zinc/67/28/57/513672857.db2.gz XCLJZZPBDDUJNC-OAHLLOKOSA-N 0 3 354.410 2.821 20 5 FFBDHN CNC(=O)c1ccc(N(CCN(C)C)CC2CCCCC2)c([N+](=O)[O-])c1 ZINC000448122970 513681943 /nfs/dbraw/zinc/68/19/43/513681943.db2.gz AZVOWOWVWWACJW-UHFFFAOYSA-N 0 3 362.474 2.903 20 5 FFBDHN O=C1[C@H](N2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451343681 513690096 /nfs/dbraw/zinc/69/00/96/513690096.db2.gz OSIQADPCXAQWBR-MKXGPGLRSA-N 0 3 373.453 2.716 20 5 FFBDHN Cc1c(NC(=O)[C@H](C)N2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000451428946 513746180 /nfs/dbraw/zinc/74/61/80/513746180.db2.gz WVRSOEDPENAZCP-ZZCKCESHSA-N 0 3 361.442 2.856 20 5 FFBDHN CCOC(=O)[C@@H]1CCCC[C@@H]1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000451590967 513853734 /nfs/dbraw/zinc/85/37/34/513853734.db2.gz MNCQOHPTROWUBM-WQVCFCJDSA-N 0 3 363.414 2.633 20 5 FFBDHN COc1cc(C(=O)N[C@H](C)CN2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000448782568 513896110 /nfs/dbraw/zinc/89/61/10/513896110.db2.gz DZBKIESEVRJTKY-FRRDWIJNSA-N 0 3 367.421 2.839 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431495428 513911515 /nfs/dbraw/zinc/91/15/15/513911515.db2.gz JHIWEFPKLPDWEY-YMTOWFKASA-N 0 3 368.231 2.570 20 5 FFBDHN CCc1cc(N2CCNC[C@@](C)(F)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420273017 514066482 /nfs/dbraw/zinc/06/64/82/514066482.db2.gz XELFPYBFUOOFEI-GOSISDBHSA-N 0 3 359.405 2.752 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@]2(CCSC2)C1 ZINC000451964042 514098664 /nfs/dbraw/zinc/09/86/64/514098664.db2.gz INIZLDDUQJSHHO-PBHICJAKSA-N 0 3 352.456 2.554 20 5 FFBDHN O=[N+]([O-])c1cnn(CCNCc2cnc(CCc3ccccc3)s2)c1 ZINC000449188011 514105918 /nfs/dbraw/zinc/10/59/18/514105918.db2.gz FLLAHFJBCJIOLU-UHFFFAOYSA-N 0 3 357.439 2.823 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCNC[C@@H]1c1ccccc1 ZINC000420402709 514133507 /nfs/dbraw/zinc/13/35/07/514133507.db2.gz KIJKCQICEXVFCG-LJQANCHMSA-N 0 3 368.437 2.878 20 5 FFBDHN COC(=O)[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1c1ccccc1 ZINC000452010796 514134613 /nfs/dbraw/zinc/13/46/13/514134613.db2.gz WFOCZKRHYOJPJL-MSOLQXFVSA-N 0 3 370.405 2.992 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437345551 514145710 /nfs/dbraw/zinc/14/57/10/514145710.db2.gz LEJYLWNQWNBMQR-YMTOWFKASA-N 0 3 357.332 2.826 20 5 FFBDHN C[C@H]1CN(C2CCN(c3ccnc4c3cccc4[N+](=O)[O-])CC2)CCO1 ZINC000432315795 514156075 /nfs/dbraw/zinc/15/60/75/514156075.db2.gz SKGMZRBYOBXFMB-AWEZNQCLSA-N 0 3 356.426 2.833 20 5 FFBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCC(=O)N[C@H]1CCOc2ccccc21 ZINC000449306017 514157032 /nfs/dbraw/zinc/15/70/32/514157032.db2.gz JBECIFXDKQIJDN-YOEHRIQHSA-N 0 3 369.421 2.755 20 5 FFBDHN C[C@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000432329416 514161604 /nfs/dbraw/zinc/16/16/04/514161604.db2.gz PKWUHMNGNVGIBU-DOTOQJQBSA-N 0 3 369.469 2.605 20 5 FFBDHN CO[C@@H]1COCC[C@@H]1CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449452474 514215491 /nfs/dbraw/zinc/21/54/91/514215491.db2.gz GAQQBOIWGFJDKB-CZUORRHYSA-N 0 3 363.439 2.859 20 5 FFBDHN COC(=O)COc1ccc(CN2C[C@H](C3CC3)[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000449542636 514246948 /nfs/dbraw/zinc/24/69/48/514246948.db2.gz QUYKEFHRFITTCE-DNVCBOLYSA-N 0 3 360.410 2.767 20 5 FFBDHN CS(=O)(=O)CC1(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417308787 514287817 /nfs/dbraw/zinc/28/78/17/514287817.db2.gz IJAOVAFMELKIIB-INIZCTEOSA-N 0 3 352.456 2.777 20 5 FFBDHN O=[N+]([O-])c1cc(CNC[C@H]2CNCCO2)ccc1Oc1ccc(F)cc1 ZINC000415095371 514439984 /nfs/dbraw/zinc/43/99/84/514439984.db2.gz MJQSLJCNJGPCSF-MRXNPFEDSA-N 0 3 361.373 2.604 20 5 FFBDHN COc1ccccc1[C@H](CNc1ncc([N+](=O)[O-])c(C)n1)N1CCCC1 ZINC000450212710 514544469 /nfs/dbraw/zinc/54/44/69/514544469.db2.gz FHEVFLVGCQZJOC-INIZCTEOSA-N 0 3 357.414 2.951 20 5 FFBDHN COC(=O)Cc1ccc(N[C@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000450218474 514547890 /nfs/dbraw/zinc/54/78/90/514547890.db2.gz XVGHWJZQHVZVGW-KRWDZBQOSA-N 0 3 369.421 2.997 20 5 FFBDHN Cc1cc(NC[C@@]2(N(C)C)CCSC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000479459332 514591708 /nfs/dbraw/zinc/59/17/08/514591708.db2.gz XOYPHIACAXOCOD-SFHVURJKSA-N 0 3 373.482 2.631 20 5 FFBDHN Cc1cc(NC(=O)c2c(N)cccc2[N+](=O)[O-])ccc1OCCN(C)C ZINC000458191698 514613496 /nfs/dbraw/zinc/61/34/96/514613496.db2.gz AYJCAPGVHIADKJ-UHFFFAOYSA-N 0 3 358.398 2.678 20 5 FFBDHN C[C@@H](N[C@@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)NCCc1ccccc1 ZINC000453414133 514625719 /nfs/dbraw/zinc/62/57/19/514625719.db2.gz SPTHGZHYIJZDRX-JKSUJKDBSA-N 0 3 355.438 2.863 20 5 FFBDHN COC1CCN(C2(CNC(=O)c3cccc([N+](=O)[O-])c3)CCCC2)CC1 ZINC000502434470 514650460 /nfs/dbraw/zinc/65/04/60/514650460.db2.gz YVJOPECPRRYCCN-UHFFFAOYSA-N 0 3 361.442 2.748 20 5 FFBDHN CCOc1cc(N2CCN(C[C@@H]3CCO[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000475513906 514697415 /nfs/dbraw/zinc/69/74/15/514697415.db2.gz VWGZLEIXQJSSRF-JKSUJKDBSA-N 0 3 363.458 2.931 20 5 FFBDHN C[C@H](N[C@@H](C)[C@H]1CCCOC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000502649517 514726884 /nfs/dbraw/zinc/72/68/84/514726884.db2.gz TUSNXCJGXTUXSO-SRVKXCTJSA-N 0 3 355.822 2.980 20 5 FFBDHN Cc1nc(N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)ccc1[N+](=O)[O-] ZINC000471058818 514735119 /nfs/dbraw/zinc/73/51/19/514735119.db2.gz GPHDLCKQNQTDLW-IRXDYDNUSA-N 0 3 356.426 2.593 20 5 FFBDHN COCCN1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485411681 515029721 /nfs/dbraw/zinc/02/97/21/515029721.db2.gz IQCOMYGVSHPYKQ-INIZCTEOSA-N 0 3 374.416 2.741 20 5 FFBDHN COc1ccc(NC(=O)[C@@H](C)N[C@@H]2CCC[C@H]2OC(F)F)c([N+](=O)[O-])c1 ZINC000503525676 515071080 /nfs/dbraw/zinc/07/10/80/515071080.db2.gz JDSAGZHJZYGBOF-GAJTVXKRSA-N 0 3 373.356 2.680 20 5 FFBDHN C[C@@H](CN1CCN(c2ccccn2)CC1)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000467855911 515147423 /nfs/dbraw/zinc/14/74/23/515147423.db2.gz OIDJVVUBUVOKRO-IRXDYDNUSA-N 0 3 369.469 2.851 20 5 FFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000480985838 515161971 /nfs/dbraw/zinc/16/19/71/515161971.db2.gz WEWGXMOYPHHDIX-ZFWWWQNUSA-N 0 3 369.487 2.705 20 5 FFBDHN CN(c1ccccc1)c1ccc(CNCC2(O)CCOCC2)cc1[N+](=O)[O-] ZINC000504171470 515236637 /nfs/dbraw/zinc/23/66/37/515236637.db2.gz XRHSOQQUXSHQIV-UHFFFAOYSA-N 0 3 371.437 2.994 20 5 FFBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000485903449 515248283 /nfs/dbraw/zinc/24/82/83/515248283.db2.gz DXTULWNTUKHQEW-RYUDHWBXSA-N 0 3 355.385 2.652 20 5 FFBDHN CN1CCC2(CCCN2C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000509658863 515278733 /nfs/dbraw/zinc/27/87/33/515278733.db2.gz QDSHMGGFVPCTTQ-UHFFFAOYSA-N 0 3 356.426 2.636 20 5 FFBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC(C(F)F)CC1 ZINC000486125511 515343272 /nfs/dbraw/zinc/34/32/72/515343272.db2.gz VBYGYXSZTDPYGA-UHFFFAOYSA-N 0 3 355.341 2.870 20 5 FFBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000468488422 515381909 /nfs/dbraw/zinc/38/19/09/515381909.db2.gz PLZANJGXQHHRAU-QGZVFWFLSA-N 0 3 371.441 2.631 20 5 FFBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C)CCS(C)(=O)=O ZINC000504900185 515405100 /nfs/dbraw/zinc/40/51/00/515405100.db2.gz STRFHICRCOSIQX-OLZOCXBDSA-N 0 3 360.501 2.878 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCCCN1CCC(C)CC1 ZINC000481965872 515530182 /nfs/dbraw/zinc/53/01/82/515530182.db2.gz NSNOJEUEQAXDMA-UHFFFAOYSA-N 0 3 369.487 2.612 20 5 FFBDHN Cc1nc(CCNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000500230275 515637479 /nfs/dbraw/zinc/63/74/79/515637479.db2.gz PEWAGPZHKLPEJW-UHFFFAOYSA-N 0 3 355.398 2.932 20 5 FFBDHN CC(C)[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1(CO)CCCC1 ZINC000459546352 515638798 /nfs/dbraw/zinc/63/87/98/515638798.db2.gz UOOUHRJOHJGDDI-SFHVURJKSA-N 0 3 363.458 2.725 20 5 FFBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)cc1OC ZINC000457126157 515672234 /nfs/dbraw/zinc/67/22/34/515672234.db2.gz QWVMSBPRLXUMKT-CYBMUJFWSA-N 0 3 365.430 2.557 20 5 FFBDHN COc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000494006102 515710460 /nfs/dbraw/zinc/71/04/60/515710460.db2.gz GEEPOXXILYVORV-RHSMWYFYSA-N 0 3 369.421 2.996 20 5 FFBDHN COc1cc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000494068632 515723869 /nfs/dbraw/zinc/72/38/69/515723869.db2.gz JAFNWAUNPSJCKU-PBHICJAKSA-N 0 3 369.421 2.996 20 5 FFBDHN COC(=O)COc1ccc(CNCCc2ccsc2)cc1[N+](=O)[O-] ZINC000474011688 515842003 /nfs/dbraw/zinc/84/20/03/515842003.db2.gz MMUAIYCWPWHGIJ-UHFFFAOYSA-N 0 3 350.396 2.540 20 5 FFBDHN CN(C)C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000474103912 515884040 /nfs/dbraw/zinc/88/40/40/515884040.db2.gz DTTIGWAFQRMFRB-UHFFFAOYSA-N 0 3 370.247 2.500 20 5 FFBDHN Cc1cc(N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)ncc1[N+](=O)[O-] ZINC000474152235 515907182 /nfs/dbraw/zinc/90/71/82/515907182.db2.gz TZWLQGASRSYUCW-SJORKVTESA-N 0 3 356.426 2.593 20 5 FFBDHN C[C@@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000511471399 515916139 /nfs/dbraw/zinc/91/61/39/515916139.db2.gz AORYDJHUBHUQQH-CVEARBPZSA-N 0 3 362.474 2.899 20 5 FFBDHN CN1CCC(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000501103084 515981449 /nfs/dbraw/zinc/98/14/49/515981449.db2.gz AKVVAOSRJKVUDN-UHFFFAOYSA-N 0 3 357.208 2.573 20 5 FFBDHN Cc1c(CNC(=O)N[C@@H](Cc2ccccc2)CN(C)C)cccc1[N+](=O)[O-] ZINC000478938385 516013286 /nfs/dbraw/zinc/01/32/86/516013286.db2.gz OZXZMRCVTDRKLO-SFHVURJKSA-N 0 3 370.453 2.875 20 5 FFBDHN COCCN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCC[C@@H]1C ZINC000487959910 516052948 /nfs/dbraw/zinc/05/29/48/516052948.db2.gz SJHNMFFPFCZGFS-YOEHRIQHSA-N 0 3 361.442 2.621 20 5 FFBDHN O=C([C@H]1CCCN1C1CCCC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000470290659 516195767 /nfs/dbraw/zinc/19/57/67/516195767.db2.gz WFJWPLQUCVKIMU-GOSISDBHSA-N 0 3 359.426 2.591 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000488475660 516234677 /nfs/dbraw/zinc/23/46/77/516234677.db2.gz JRGBBCHHLSPYIU-HOCLYGCPSA-N 0 3 356.426 2.574 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NC2CCN(CC3CCCC3)CC2)cc1 ZINC000497569541 516326844 /nfs/dbraw/zinc/32/68/44/516326844.db2.gz NGAKCUYVUIKRKN-UHFFFAOYSA-N 0 3 367.471 2.528 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](COC(F)F)C1 ZINC000512822156 516374092 /nfs/dbraw/zinc/37/40/92/516374092.db2.gz FMOOSQJKISBABA-LBPRGKRZSA-N 0 3 357.357 2.793 20 5 FFBDHN C[C@@H](c1ccccc1)N1CC[C@@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000561153614 516411493 /nfs/dbraw/zinc/41/14/93/516411493.db2.gz FPRUCWBJWZQGDK-DZGCQCFKSA-N 0 3 354.410 2.941 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCC(C)(C)N2CCC[C@H](C)C2)n1 ZINC000561182967 516435008 /nfs/dbraw/zinc/43/50/08/516435008.db2.gz CVFCURIVAZTMHK-LBPRGKRZSA-N 0 3 350.419 2.699 20 5 FFBDHN CCc1nnc(NC(=O)[C@H](C)[C@H](C)NCc2ccccc2[N+](=O)[O-])s1 ZINC000513087458 516468340 /nfs/dbraw/zinc/46/83/40/516468340.db2.gz AIROSEHPAWLNRV-MNOVXSKESA-N 0 3 363.443 2.762 20 5 FFBDHN CNc1ccc(C(=O)N(CCN(C)C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000531466077 516482230 /nfs/dbraw/zinc/48/22/30/516482230.db2.gz HBHZJOYGGISPSJ-UHFFFAOYSA-N 0 3 362.455 2.902 20 5 FFBDHN COc1ccc(CNC[C@H](O)Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000554523618 516483442 /nfs/dbraw/zinc/48/34/42/516483442.db2.gz VGZIYQJBDAEAND-OAHLLOKOSA-N 0 3 350.802 2.950 20 5 FFBDHN CN(C)C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000554641486 516562664 /nfs/dbraw/zinc/56/26/64/516562664.db2.gz XRNTVGJJAOLAEX-HNNXBMFYSA-N 0 3 361.373 2.532 20 5 FFBDHN CS[C@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000536172937 516664143 /nfs/dbraw/zinc/66/41/43/516664143.db2.gz LTGLGBSKHARNNN-OLZOCXBDSA-N 0 3 360.277 2.839 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000544298837 516686832 /nfs/dbraw/zinc/68/68/32/516686832.db2.gz GSDGHAAOEQYZJH-ZIAGYGMSSA-N 0 3 364.446 2.666 20 5 FFBDHN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CC[C@@H](N2CCCCC2)C1 ZINC000513723553 516731521 /nfs/dbraw/zinc/73/15/21/516731521.db2.gz FPACIKMKRKPEJN-CYBMUJFWSA-N 0 3 369.368 2.897 20 5 FFBDHN CCN1CC[C@H](N(C)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C ZINC000524617634 516769505 /nfs/dbraw/zinc/76/95/05/516769505.db2.gz BPSSAQRVMOCSSG-GJZGRUSLSA-N 0 3 371.441 2.725 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000558514021 516785442 /nfs/dbraw/zinc/78/54/42/516785442.db2.gz YJEBIWUALYXYJA-INIZCTEOSA-N 0 3 364.446 2.732 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H](C)CN2CCCCC2)c1 ZINC000544668426 516863946 /nfs/dbraw/zinc/86/39/46/516863946.db2.gz QJQVDKZTEKYZNU-CQSZACIVSA-N 0 3 369.487 2.612 20 5 FFBDHN CN(C)C1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)Cc2ccccc2C1 ZINC000525032561 516898313 /nfs/dbraw/zinc/89/83/13/516898313.db2.gz UVNNRBACNSPYOY-UHFFFAOYSA-N 0 3 357.385 2.563 20 5 FFBDHN CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536858084 516956575 /nfs/dbraw/zinc/95/65/75/516956575.db2.gz OHQFBAURSZPADK-LSDHHAIUSA-N 0 3 369.487 2.678 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000525385267 517023746 /nfs/dbraw/zinc/02/37/46/517023746.db2.gz SLPUPTWZJHSQSH-HNNXBMFYSA-N 0 3 356.426 2.670 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[C@H](C)N2CCCCC2)cc1C ZINC000541388917 517023923 /nfs/dbraw/zinc/02/39/23/517023923.db2.gz DBTPMMSCZLBICH-HNNXBMFYSA-N 0 3 369.487 2.754 20 5 FFBDHN CS[C@@H]1CN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1N1CCCC1 ZINC000562403373 517083249 /nfs/dbraw/zinc/08/32/49/517083249.db2.gz IASUYBDCAIMDSK-XOKHGSTOSA-N 0 3 363.483 2.737 20 5 FFBDHN CC(C)(O)CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCOCC1 ZINC000537635794 517274093 /nfs/dbraw/zinc/27/40/93/517274093.db2.gz VXISIYKSQDXSKX-UHFFFAOYSA-N 0 3 374.384 2.948 20 5 FFBDHN CCc1ccc([C@@H](CO)NCCOc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000541980836 517319433 /nfs/dbraw/zinc/31/94/33/517319433.db2.gz HUWLLACVHPNHAX-QGZVFWFLSA-N 0 3 360.410 2.868 20 5 FFBDHN COC(=O)COc1ccc(CNCC(C)(C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000548972759 517334335 /nfs/dbraw/zinc/33/43/35/517334335.db2.gz KHSBEDYTXDTRAN-UHFFFAOYSA-N 0 3 364.320 2.825 20 5 FFBDHN CCCC[C@@H](C)[C@@H](C)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000515909234 517508892 /nfs/dbraw/zinc/50/88/92/517508892.db2.gz LEFDGXAKFBDHTJ-ZIAGYGMSSA-N 0 3 357.476 2.678 20 5 FFBDHN CN(C)[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)Cc1ccccc1 ZINC000542509108 517603395 /nfs/dbraw/zinc/60/33/95/517603395.db2.gz KBWUIGRURLYVDF-OAHLLOKOSA-N 0 3 351.410 2.545 20 5 FFBDHN C[C@H]1C[C@@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000553446418 517718674 /nfs/dbraw/zinc/71/86/74/517718674.db2.gz FQIIDKXWSVQGCJ-DZGCQCFKSA-N 0 3 354.410 2.769 20 5 FFBDHN C[C@@H]1C[C@@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000553446420 517719017 /nfs/dbraw/zinc/71/90/17/517719017.db2.gz FQIIDKXWSVQGCJ-UKRRQHHQSA-N 0 3 354.410 2.769 20 5 FFBDHN N[C@H](CC1CCCCC1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000521538541 517768194 /nfs/dbraw/zinc/76/81/94/517768194.db2.gz CFTWMVOZAKPHRN-GOSISDBHSA-N 0 3 360.458 2.541 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])c(NCc2cccc(C(=O)NCCN(C)C)c2)n1 ZINC000542864962 517789141 /nfs/dbraw/zinc/78/91/41/517789141.db2.gz PPGFJBBQKIWBIY-UHFFFAOYSA-N 0 3 371.441 2.510 20 5 FFBDHN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CC[C@@H](N2CCCC2)C1 ZINC000542880370 517794064 /nfs/dbraw/zinc/79/40/64/517794064.db2.gz CFSAKURDWOCCSW-GFCCVEGCSA-N 0 3 355.341 2.507 20 5 FFBDHN O=C(NCCN1CCCCCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542920679 517816396 /nfs/dbraw/zinc/81/63/96/517816396.db2.gz SKXBRTYIXREIIP-UHFFFAOYSA-N 0 3 357.357 2.802 20 5 FFBDHN COc1cc(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000553768739 517892971 /nfs/dbraw/zinc/89/29/71/517892971.db2.gz SZTYJEMKCCNRTC-DVOMOZLQSA-N 0 3 361.442 2.714 20 5 FFBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000553785598 517904029 /nfs/dbraw/zinc/90/40/29/517904029.db2.gz GXIBDXRTQQWTOC-PMUMKWKESA-N 0 3 372.469 2.971 20 5 FFBDHN Cn1cnc(CCNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)n1 ZINC000539530417 518090647 /nfs/dbraw/zinc/09/06/47/518090647.db2.gz SSZJGAJXZPYWMI-UHFFFAOYSA-N 0 3 361.789 2.969 20 5 FFBDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000547421413 518130213 /nfs/dbraw/zinc/13/02/13/518130213.db2.gz DXXOWBCDIGGVOL-KRWDZBQOSA-N 0 3 358.442 2.820 20 5 FFBDHN Cc1cccc(O[C@H](C)CNC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000569687582 518240607 /nfs/dbraw/zinc/24/06/07/518240607.db2.gz XYDGLHTXEFVQTM-CVEARBPZSA-N 0 3 360.410 2.700 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000569790595 518291894 /nfs/dbraw/zinc/29/18/94/518291894.db2.gz FCHYGLWDTHCJMB-HOTGVXAUSA-N 0 3 353.850 2.981 20 5 FFBDHN O=C(CCN1CCNC[C@@H]1c1cccc(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000566974527 518292478 /nfs/dbraw/zinc/29/24/78/518292478.db2.gz YRUYUYBLFZTONH-GOSISDBHSA-N 0 3 372.400 2.709 20 5 FFBDHN O=[N+]([O-])c1ccccc1N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000584357221 518300596 /nfs/dbraw/zinc/30/05/96/518300596.db2.gz XHAOQOFVXXVHEW-LJQANCHMSA-N 0 3 366.465 2.991 20 5 FFBDHN CO[C@@H](CNCCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000569803793 518300931 /nfs/dbraw/zinc/30/09/31/518300931.db2.gz DEXXRDXFGOPMCP-MRXNPFEDSA-N 0 3 357.410 2.771 20 5 FFBDHN Cc1cc(NCC2(S(C)(=O)=O)CCCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000575906346 518337563 /nfs/dbraw/zinc/33/75/63/518337563.db2.gz VOYXIYJILMFRMV-UHFFFAOYSA-N 0 3 363.439 2.643 20 5 FFBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000584547549 518393631 /nfs/dbraw/zinc/39/36/31/518393631.db2.gz HGLQJOMBIQMINR-XWCIJXRUSA-N 0 3 367.396 2.604 20 5 FFBDHN COc1cccc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])c1OC ZINC000564470753 518466264 /nfs/dbraw/zinc/46/62/64/518466264.db2.gz YJZJTPFNMMZESP-UHFFFAOYSA-N 0 3 359.382 2.730 20 5 FFBDHN CCN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCOC(C)(C)C1 ZINC000573142701 518524546 /nfs/dbraw/zinc/52/45/46/518524546.db2.gz HGFJWUSNYGVJAS-INIZCTEOSA-N 0 3 361.442 2.763 20 5 FFBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC(=O)NCCN1CCCCCC1 ZINC000564718953 518580369 /nfs/dbraw/zinc/58/03/69/518580369.db2.gz UJBDMZMDCLXXSX-LGMDPLHJSA-N 0 3 374.485 2.580 20 5 FFBDHN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CN1C1CC1 ZINC000582311530 518692882 /nfs/dbraw/zinc/69/28/82/518692882.db2.gz PCEAFIZSXZNNDI-OLZOCXBDSA-N 0 3 364.421 2.608 20 5 FFBDHN CN1CCC[C@H](CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000573633609 518759865 /nfs/dbraw/zinc/75/98/65/518759865.db2.gz MFEREMLEOWIZLC-LLVKDONJSA-N 0 3 374.363 2.755 20 5 FFBDHN CCn1nccc1N1CCC[C@@H](NC/C=C\c2ccccc2[N+](=O)[O-])C1=O ZINC000588582248 518789448 /nfs/dbraw/zinc/78/94/48/518789448.db2.gz BVJDGHQORYLKNZ-KQQSKNTNSA-N 0 3 369.425 2.610 20 5 FFBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCCN(CC2CCC2)CC1 ZINC000582572394 518818196 /nfs/dbraw/zinc/81/81/96/518818196.db2.gz LXGFBLJUOYRTLD-UHFFFAOYSA-N 0 3 361.442 2.942 20 5 FFBDHN CC[C@H](C)N[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000588765917 518824788 /nfs/dbraw/zinc/82/47/88/518824788.db2.gz FHGQHOUTKHLRPW-KBPBESRZSA-N 0 3 361.398 2.812 20 5 FFBDHN CCC[C@@H](O)[C@@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000579936440 518928198 /nfs/dbraw/zinc/92/81/98/518928198.db2.gz RZYQNHHCPCCYIG-HZPDHXFCSA-N 0 3 350.440 2.935 20 5 FFBDHN CC(C)Oc1ccccc1CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000565476293 518974234 /nfs/dbraw/zinc/97/42/34/518974234.db2.gz MXCKRMIHVISGGM-QGZVFWFLSA-N 0 3 360.410 2.912 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@@]1(CO)C[C@@H]1c1ccccc1)OCCO2 ZINC000589325089 518981574 /nfs/dbraw/zinc/98/15/74/518981574.db2.gz LDTMJKQUXJJEQW-OXQOHEQNSA-N 0 3 370.405 2.622 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000577452198 519084171 /nfs/dbraw/zinc/08/41/71/519084171.db2.gz FGADRYYACIDQLZ-QGZVFWFLSA-N 0 3 361.442 2.620 20 5 FFBDHN CN(C)C1(CN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CCOCC1 ZINC000565719843 519098798 /nfs/dbraw/zinc/09/87/98/519098798.db2.gz NBBZVEBDJIMGRM-AWEZNQCLSA-N 0 3 361.364 2.899 20 5 FFBDHN CNc1ccc(C(=O)N[C@H](CN(C)C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000568682802 519162201 /nfs/dbraw/zinc/16/22/01/519162201.db2.gz CIWSHOUWSNXORM-MRXNPFEDSA-N 0 3 360.389 2.808 20 5 FFBDHN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CCCC2)CC1 ZINC000568853821 519250084 /nfs/dbraw/zinc/25/00/84/519250084.db2.gz VTAOPSBZLIJMOQ-UHFFFAOYSA-N 0 3 370.457 2.938 20 5 FFBDHN CN(C)C[C@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000571912216 519343227 /nfs/dbraw/zinc/34/32/27/519343227.db2.gz HMQOGIPGZJWLID-INIZCTEOSA-N 0 3 374.416 2.589 20 5 FFBDHN O=[N+]([O-])c1cc(I)cc(CN[C@@H]2CCSC2)c1 ZINC000566709284 519619035 /nfs/dbraw/zinc/61/90/35/519619035.db2.gz ZMFDPDCPXDDDAO-SNVBAGLBSA-N 0 3 364.208 2.795 20 5 FFBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCCN(c2ccncc2)CC1 ZINC000602847994 519924174 /nfs/dbraw/zinc/92/41/74/519924174.db2.gz XCVOOHGKDIIILA-HNNXBMFYSA-N 0 3 369.425 2.529 20 5 FFBDHN CCC(C)(C)N1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000594389741 519934444 /nfs/dbraw/zinc/93/44/44/519934444.db2.gz MSSDIZBWDLEVSJ-UHFFFAOYSA-N 0 3 358.442 2.951 20 5 FFBDHN CC(C)N1CC[C@H](N(C)C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599999205 519993950 /nfs/dbraw/zinc/99/39/50/519993950.db2.gz MODAPRLJJDCVEO-NSHDSACASA-N 0 3 370.247 2.912 20 5 FFBDHN COc1ccc(-c2ccc(CN(C)[C@@H]3CCC(=O)N(C)C3)o2)c([N+](=O)[O-])c1 ZINC000600178258 520103441 /nfs/dbraw/zinc/10/34/41/520103441.db2.gz JOFYFVMGMHTNSD-CYBMUJFWSA-N 0 3 373.409 2.916 20 5 FFBDHN O=C(CCNCc1cnc(C(F)(F)F)nc1)Nc1ccccc1[N+](=O)[O-] ZINC000594718298 520109876 /nfs/dbraw/zinc/10/98/76/520109876.db2.gz NLOKYJVEQDFWQN-UHFFFAOYSA-N 0 3 369.303 2.522 20 5 FFBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000609018101 520177967 /nfs/dbraw/zinc/17/79/67/520177967.db2.gz PHZFNZAWZVBBCY-QGZVFWFLSA-N 0 3 356.426 2.890 20 5 FFBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000594853964 520190686 /nfs/dbraw/zinc/19/06/86/520190686.db2.gz BQEZYWSLQKOGPS-CQSZACIVSA-N 0 3 367.471 2.589 20 5 FFBDHN C[S@](=O)[C@H]1CCC[C@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000594962576 520230705 /nfs/dbraw/zinc/23/07/05/520230705.db2.gz RTXKKJPOROWSJV-FVLHQSPCSA-N 0 3 362.398 2.976 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C(C)C)C1(CO)CC=CC1 ZINC000592178075 520246765 /nfs/dbraw/zinc/24/67/65/520246765.db2.gz OPLJCGXMRXSQAP-GOSISDBHSA-N 0 3 361.442 2.785 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000595003044 520250506 /nfs/dbraw/zinc/25/05/06/520250506.db2.gz BMEQGJBVWQLXHP-QLFBSQMISA-N 0 3 351.447 2.753 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000595007482 520254108 /nfs/dbraw/zinc/25/41/08/520254108.db2.gz OEVJQLGTRDBTIL-YJBOKZPZSA-N 0 3 364.490 2.526 20 5 FFBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000597859792 520286124 /nfs/dbraw/zinc/28/61/24/520286124.db2.gz YEHGDCGCULPVAX-LLVKDONJSA-N 0 3 370.247 2.960 20 5 FFBDHN CCOc1ccc([C@H](C)NCC(C)(C)[C@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000592398155 520368862 /nfs/dbraw/zinc/36/88/62/520368862.db2.gz QBFGKQYFQKUEMI-UGSOOPFHSA-N 0 3 352.431 2.822 20 5 FFBDHN CCOc1cc(CN2CCCN(C[C@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000617194781 520376936 /nfs/dbraw/zinc/37/69/36/520376936.db2.gz OLQDVQUCSJMFBJ-QGZVFWFLSA-N 0 3 363.458 2.680 20 5 FFBDHN C[C@H](c1ccccc1)[C@@H](CO)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000609708079 520410815 /nfs/dbraw/zinc/41/08/15/520410815.db2.gz CIYDBIJSENUXIE-FZKQIMNGSA-N 0 3 358.394 2.716 20 5 FFBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCCN1C[C@H](C)C[C@H](C)C1 ZINC000603983592 520422500 /nfs/dbraw/zinc/42/25/00/520422500.db2.gz ZJULWDFLJVDNPK-OKILXGFUSA-N 0 3 369.487 2.550 20 5 FFBDHN CCN(CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)c1cccc(OC)c1 ZINC000604075316 520442740 /nfs/dbraw/zinc/44/27/40/520442740.db2.gz QDMDYJNHYDVUTC-MRXNPFEDSA-N 0 3 360.414 2.744 20 5 FFBDHN Cc1cccc2c1C[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])CO2 ZINC000600745937 520443476 /nfs/dbraw/zinc/44/34/76/520443476.db2.gz GSHRFAXEGISJNV-CQSZACIVSA-N 0 3 355.394 2.825 20 5 FFBDHN CC[C@H](CN1CCCC1)Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000609840026 520452119 /nfs/dbraw/zinc/45/21/19/520452119.db2.gz ZIWKQOMZWLVSGB-OAHLLOKOSA-N 0 3 371.441 2.846 20 5 FFBDHN CN(C)[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000609849398 520456775 /nfs/dbraw/zinc/45/67/75/520456775.db2.gz QCTQRSYGVXQQQG-INIZCTEOSA-N 0 3 351.410 2.545 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](CO)[C@@H](C)c1ccccc1 ZINC000613389278 520478945 /nfs/dbraw/zinc/47/89/45/520478945.db2.gz HTXWLXUNUSOCSJ-GOEBONIOSA-N 0 3 357.410 2.596 20 5 FFBDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000598195963 520487364 /nfs/dbraw/zinc/48/73/64/520487364.db2.gz XUNDMHQNEUMEFI-MRXNPFEDSA-N 0 3 368.437 2.566 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000595464750 520489246 /nfs/dbraw/zinc/48/92/46/520489246.db2.gz DIUDFFJWFABMTF-CQSZACIVSA-N 0 3 364.446 2.523 20 5 FFBDHN CC[C@H](CN1CCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000610065414 520521632 /nfs/dbraw/zinc/52/16/32/520521632.db2.gz QMENLPQFHXVXCU-LLVKDONJSA-N 0 3 370.247 2.962 20 5 FFBDHN Cn1cc([C@@H]2CN(Cc3ccc(F)cc3[N+](=O)[O-])CC23CCOCC3)cn1 ZINC000595513503 520521520 /nfs/dbraw/zinc/52/15/20/520521520.db2.gz FUQLUGUUBBNIRK-KRWDZBQOSA-N 0 3 374.416 2.864 20 5 FFBDHN Cc1ccc(CN[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1[N+](=O)[O-] ZINC000610090246 520534796 /nfs/dbraw/zinc/53/47/96/520534796.db2.gz YSFCZMQGCPYWAQ-PMACEKPBSA-N 0 3 369.465 2.876 20 5 FFBDHN O=C(N1CCN(c2ccncc2)CC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600964268 520560878 /nfs/dbraw/zinc/56/08/78/520560878.db2.gz MRNHHEIWTNFIPS-UHFFFAOYSA-N 0 3 366.421 2.760 20 5 FFBDHN Cc1cc(C(=O)NC[C@@H]2CN(C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000592883108 520633694 /nfs/dbraw/zinc/63/36/94/520633694.db2.gz WUGFBWYYBQIUAP-MSOLQXFVSA-N 0 3 353.422 2.978 20 5 FFBDHN CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H](C)N1 ZINC000598531308 520684480 /nfs/dbraw/zinc/68/44/80/520684480.db2.gz IRHAGUZGIOQADM-VHSXEESVSA-N 0 3 356.220 2.570 20 5 FFBDHN Cn1cc(C[C@@H]2CCC[C@@H]2NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cn1 ZINC000595767249 520709176 /nfs/dbraw/zinc/70/91/76/520709176.db2.gz AVVDPCNJAXHVPA-ZFWWWQNUSA-N 0 3 354.414 2.706 20 5 FFBDHN O=[N+]([O-])c1cnccc1NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000610510656 520721718 /nfs/dbraw/zinc/72/17/18/520721718.db2.gz ZEJNIUJGIHDTQH-UHFFFAOYSA-N 0 3 370.453 2.895 20 5 FFBDHN Cc1cc(S(=O)(=O)[N-]Cc2ccccc2C[NH+](C)C)c([N+](=O)[O-])s1 ZINC000601292140 520727402 /nfs/dbraw/zinc/72/74/02/520727402.db2.gz KSTDGXMHMBDNNR-UHFFFAOYSA-N 0 3 369.468 2.505 20 5 FFBDHN CN(c1ccccc1)[C@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000595825994 520749617 /nfs/dbraw/zinc/74/96/17/520749617.db2.gz ISXBZKSCJCCYFA-ROUUACIJSA-N 0 3 371.437 2.545 20 5 FFBDHN CC[C@@H](C)N[C@@H](CNc1nccc(C(=O)OC)c1[N+](=O)[O-])c1ccco1 ZINC000598625411 520750335 /nfs/dbraw/zinc/75/03/35/520750335.db2.gz PNEFDRJWJQGTBB-YPMHNXCESA-N 0 3 362.386 2.911 20 5 FFBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@@]2(CC2(F)F)C1 ZINC000593118344 520757309 /nfs/dbraw/zinc/75/73/09/520757309.db2.gz QLCQWFUDLZQEON-OAHLLOKOSA-N 0 3 353.325 2.624 20 5 FFBDHN Cc1ccc(NCCCNC(=O)c2cccc3c2CNC3)c([N+](=O)[O-])c1 ZINC000595924362 520829366 /nfs/dbraw/zinc/82/93/66/520829366.db2.gz CYSDAXNLMDFZCV-UHFFFAOYSA-N 0 3 354.410 2.738 20 5 FFBDHN CN(C)C(=O)CCN1CCC(Nc2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000596122009 520925960 /nfs/dbraw/zinc/92/59/60/520925960.db2.gz RFUTXJCNSVCXRK-UHFFFAOYSA-N 0 3 370.400 2.887 20 5 FFBDHN CCN1CCN([C@H]2CCN(c3ccc(C(F)(F)F)c([N+](=O)[O-])c3)C2)CC1 ZINC000596124919 520926710 /nfs/dbraw/zinc/92/67/10/520926710.db2.gz ZXNIABFNSLGWOP-AWEZNQCLSA-N 0 3 372.391 2.830 20 5 FFBDHN CCN1CCN(c2cccc(Nc3ccc([N+](=O)[O-])c(C(N)=O)c3)c2)CC1 ZINC000596195922 520963564 /nfs/dbraw/zinc/96/35/64/520963564.db2.gz KCRUBEPWJDMIJF-UHFFFAOYSA-N 0 3 369.425 2.579 20 5 FFBDHN CC(C)(C)N1CC[C@@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000596306818 521020351 /nfs/dbraw/zinc/02/03/51/521020351.db2.gz IMDQOHBRKVCCEQ-LBPRGKRZSA-N 0 3 355.460 2.531 20 5 FFBDHN CC(C)(C)Oc1cc(N2CCN([C@@H]3CCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000611203189 521035380 /nfs/dbraw/zinc/03/53/80/521035380.db2.gz ORXLOHGVHZEFHW-WBVHZDCISA-N 0 3 363.458 2.808 20 5 FFBDHN CN1CCN(c2ncnc3sc([N+](=O)[O-])cc32)[C@H](Cc2ccccc2)C1 ZINC000593503892 521036872 /nfs/dbraw/zinc/03/68/72/521036872.db2.gz MFHPXVYTGFJWRZ-CQSZACIVSA-N 0 3 369.450 2.963 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(c3cccnc3)CC2)c1 ZINC000611258742 521061755 /nfs/dbraw/zinc/06/17/55/521061755.db2.gz HNPJRTYENCYSJI-SFHVURJKSA-N 0 3 357.410 2.609 20 5 FFBDHN O=C([C@@H]1CCN1C1CCCC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602108982 521146680 /nfs/dbraw/zinc/14/66/80/521146680.db2.gz WVHMOLFZICZBQV-IBGZPJMESA-N 0 3 373.453 2.982 20 5 FFBDHN CCN1C[C@@H](CNCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1=O ZINC000593690895 521160046 /nfs/dbraw/zinc/16/00/46/521160046.db2.gz XOHINPZIFGXPAC-CYBMUJFWSA-N 0 3 373.409 2.821 20 5 FFBDHN CN(C)C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(Cl)c(Cl)c1 ZINC000599626406 521340411 /nfs/dbraw/zinc/34/04/11/521340411.db2.gz FYMLTPUBNHKTIH-AWEZNQCLSA-N 0 3 372.256 2.991 20 5 FFBDHN CCC(C)(C)N1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000594020310 521354104 /nfs/dbraw/zinc/35/41/04/521354104.db2.gz HDNUKQUWTDSNAU-UHFFFAOYSA-N 0 3 368.865 2.993 20 5 FFBDHN O=[N+]([O-])c1cnn(CCNC2(c3cccc(OC(F)(F)F)c3)CC2)c1 ZINC000594036006 521366013 /nfs/dbraw/zinc/36/60/13/521366013.db2.gz YYWNRRVMDJTQQR-UHFFFAOYSA-N 0 3 356.304 2.969 20 5 FFBDHN O=[N+]([O-])c1ccc2oc(CNCCc3ccc4c(c3)OCCO4)nc2c1 ZINC000602505216 521384181 /nfs/dbraw/zinc/38/41/81/521384181.db2.gz VJFPAOVYLOCOFQ-UHFFFAOYSA-N 0 3 355.350 2.840 20 5 FFBDHN Cc1ccncc1[C@H](C)NCCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000611938880 521401224 /nfs/dbraw/zinc/40/12/24/521401224.db2.gz AWIXYCKUPPEZDP-ZDUSSCGKSA-N 0 3 356.382 2.947 20 5 FFBDHN O=[N+]([O-])c1sc(CNCC[C@@H](O)C(F)(F)F)cc1Br ZINC000602655912 521461914 /nfs/dbraw/zinc/46/19/14/521461914.db2.gz HZZUPLTZVCUVAP-SSDOTTSWSA-N 0 3 363.155 2.822 20 5 FFBDHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594198649 521464666 /nfs/dbraw/zinc/46/46/66/521464666.db2.gz UGOKFLHPTHOFOL-JKSUJKDBSA-N 0 3 353.369 2.549 20 5 FFBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000594200367 521466773 /nfs/dbraw/zinc/46/67/73/521466773.db2.gz LADIVLITZKLPOF-SJLPKXTDSA-N 0 3 369.425 2.527 20 5 FFBDHN Nc1c(NC(=O)NC[C@H]2CCN2C2CCCC2)cc(Cl)cc1[N+](=O)[O-] ZINC000599800293 521481980 /nfs/dbraw/zinc/48/19/80/521481980.db2.gz HHCNXHIKNSETFY-GFCCVEGCSA-N 0 3 367.837 2.969 20 5 FFBDHN C[C@H](O)[C@H](NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1F ZINC000602697830 521483639 /nfs/dbraw/zinc/48/36/39/521483639.db2.gz IVYYXQFGYSJPFQ-DJJJIMSYSA-N 0 3 374.416 2.809 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000602826620 521555028 /nfs/dbraw/zinc/55/50/28/521555028.db2.gz WMMJJXHFZRGGFM-QGZVFWFLSA-N 0 3 364.833 2.745 20 5 FFBDHN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCN(CC2CC2)C1 ZINC000612286014 521560621 /nfs/dbraw/zinc/56/06/21/521560621.db2.gz URCBRCZYDQLGIN-ZDUSSCGKSA-N 0 3 369.874 2.941 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](c1ccccc1)C1(CO)CCCC1 ZINC000602838552 521561775 /nfs/dbraw/zinc/56/17/75/521561775.db2.gz UFNMQTUWSCYISA-GOSISDBHSA-N 0 3 358.442 2.983 20 5 FFBDHN CCOC(=O)[C@@]1(C)CCC[C@@H]1NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000597236200 521589325 /nfs/dbraw/zinc/58/93/25/521589325.db2.gz PBVUKDUFVIIZCY-WMZOPIPTSA-N 0 3 364.398 2.578 20 5 FFBDHN C[C@H](NC(=O)N=c1ccn(C2CCN(C)CC2)[nH]1)c1ccccc1[N+](=O)[O-] ZINC000491258964 561444275 /nfs/dbraw/zinc/44/42/75/561444275.db2.gz MYSAKWZKSRNREJ-ZDUSSCGKSA-N 0 3 372.429 2.941 20 5 FFBDHN Cc1nc(NCCCN2CCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000471619881 561008962 /nfs/dbraw/zinc/00/89/62/561008962.db2.gz HJFTXCSOOKCPEK-UHFFFAOYSA-N 0 3 369.469 2.918 20 5 FFBDHN CC[C@H]([NH2+]C[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000825141839 608552027 /nfs/dbraw/zinc/55/20/27/608552027.db2.gz QOBNTZGDLGUZNO-IRXDYDNUSA-N 0 3 368.397 2.549 20 5 FFBDHN Cc1cc([N+](=O)[O-])cnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164897261 721511650 /nfs/dbraw/zinc/51/16/50/721511650.db2.gz FNQHHVCHYADCEU-WMZOPIPTSA-N 0 3 372.400 2.779 20 5 FFBDHN Cc1cnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164901705 721512547 /nfs/dbraw/zinc/51/25/47/721512547.db2.gz YDLPQNDFWUKPEQ-RDJZCZTQSA-N 0 3 372.400 2.779 20 5 FFBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@@H](O)c3ccc(Cl)cc3)C2)nc1 ZINC000245441995 729570027 /nfs/dbraw/zinc/57/00/27/729570027.db2.gz HSMKHPHUIUAFNR-GDBMZVCRSA-N 0 3 362.817 2.863 20 5 FFBDHN O=[N+]([O-])c1cc(Br)ccc1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252668603 729624804 /nfs/dbraw/zinc/62/48/04/729624804.db2.gz YCAFIDOFSBCMIU-RYUDHWBXSA-N 0 3 356.220 2.632 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@@H]1N1CCCC1 ZINC000860788841 730547530 /nfs/dbraw/zinc/54/75/30/730547530.db2.gz VJZPPTBYDXMMHN-UONOGXRCSA-N 0 3 369.874 2.900 20 5 FFBDHN CC([C@H](OC(=O)Cn1ccc(C(F)F)n1)c1ccccc1F)[N+](=O)[O-] ZINC000860855267 730554180 /nfs/dbraw/zinc/55/41/80/730554180.db2.gz WDAGJEJYLIQNRI-XPTSAGLGSA-N 0 3 357.288 2.910 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000874844039 732107054 /nfs/dbraw/zinc/10/70/54/732107054.db2.gz QEYQNNZFQBFQID-YUTCNCBUSA-N 0 3 367.833 2.711 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000874844035 732107151 /nfs/dbraw/zinc/10/71/51/732107151.db2.gz QEYQNNZFQBFQID-IACUBPJLSA-N 0 3 367.833 2.711 20 5 FFBDHN NC(=O)C1(N2CCCCC2)CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000882814756 733298012 /nfs/dbraw/zinc/29/80/12/733298012.db2.gz SRAYGUNUHTVIEL-UHFFFAOYSA-N 0 3 366.849 2.558 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1CC[C@@]2(CO[C@H](C)C2)O1 ZINC000886768946 733829565 /nfs/dbraw/zinc/82/95/65/733829565.db2.gz LUDFCKACIPBJKB-VAGZCVSGSA-N 0 3 350.415 2.981 20 5 FFBDHN O=[N+]([O-])c1ccc(CN[C@H](CO)C[C@@H](O)c2ccccc2)cc1Cl ZINC000783648851 738822626 /nfs/dbraw/zinc/82/26/26/738822626.db2.gz ASENCVDMCOCVQU-WMLDXEAASA-N 0 3 350.802 2.822 20 5 FFBDHN C[C@@H]1CCCN1CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000783920753 738849160 /nfs/dbraw/zinc/84/91/60/738849160.db2.gz OJSVAZVDCJKTSZ-SNVBAGLBSA-N 0 3 356.220 2.571 20 5 FFBDHN CC[C@@H](COCC(F)(F)F)NCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894666004 734897832 /nfs/dbraw/zinc/89/78/32/734897832.db2.gz DPFUVXDGOUZZNA-JTQLQIEISA-N 0 3 352.309 2.756 20 5 FFBDHN COc1c([O-])ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1[N+](=O)[O-] ZINC000894699875 734902638 /nfs/dbraw/zinc/90/26/38/734902638.db2.gz LQEGBWJLNCSPAL-RRFJBIMHSA-N 0 3 350.415 2.825 20 5 FFBDHN COc1c([O-])ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1[N+](=O)[O-] ZINC000894699875 734902642 /nfs/dbraw/zinc/90/26/42/734902642.db2.gz LQEGBWJLNCSPAL-RRFJBIMHSA-N 0 3 350.415 2.825 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2cccs2)c1 ZINC000752498675 735990999 /nfs/dbraw/zinc/99/09/99/735990999.db2.gz HPYLZJBRWXJGTK-UHFFFAOYSA-N 0 3 363.439 2.869 20 5 FFBDHN COC(=O)C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000754535988 736169215 /nfs/dbraw/zinc/16/92/15/736169215.db2.gz BGSNMZZBMRFVCV-LKFCYVNXSA-N 0 3 369.805 2.507 20 5 FFBDHN COC(=O)C[C@H](N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000754543963 736170656 /nfs/dbraw/zinc/17/06/56/736170656.db2.gz YZDGZTGSMLLBSG-RNCFNFMXSA-N 0 3 369.805 2.507 20 5 FFBDHN CC(=O)N1CC[C@@H](CN(C)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000770381700 737620537 /nfs/dbraw/zinc/62/05/37/737620537.db2.gz PGCJSBRWPKNLNN-ZDUSSCGKSA-N 0 3 370.247 2.658 20 5 FFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C[C@H]1C ZINC000771762310 737753495 /nfs/dbraw/zinc/75/34/95/737753495.db2.gz OCSOSCYBOWEZPE-CHWSQXEVSA-N 0 3 373.450 2.536 20 5 FFBDHN O=C(N1CCC[C@H](N2CCCC2)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778263259 738367635 /nfs/dbraw/zinc/36/76/35/738367635.db2.gz ZFDGKUMWCDOWSA-HNNXBMFYSA-N 0 3 353.369 2.773 20 5 FFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCN1CCC[C@H]1C ZINC000793459920 739783804 /nfs/dbraw/zinc/78/38/04/739783804.db2.gz FUOBPNFPWPJELZ-SNVBAGLBSA-N 0 3 370.247 2.880 20 5 FFBDHN C[C@H](NC[C@@H](O)CCNC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000794458973 739894475 /nfs/dbraw/zinc/89/44/75/739894475.db2.gz RMMMCHSYSNAHIB-WFASDCNBSA-N 0 3 353.419 2.521 20 5 FFBDHN COc1ccc(Br)c2[nH]c(C(=O)OCC(C)[N+](=O)[O-])cc21 ZINC000813101789 741676930 /nfs/dbraw/zinc/67/69/30/741676930.db2.gz ITNSNWBDJVNEIO-ZETCQYMHSA-N 0 3 357.160 2.761 20 5 FFBDHN CC(COC(=O)c1ccc(I)c(Cl)c1)[N+](=O)[O-] ZINC000813112681 741678368 /nfs/dbraw/zinc/67/83/68/741678368.db2.gz SVIMDDRXKMMFPF-ZCFIWIBFSA-N 0 3 369.542 2.767 20 5 FFBDHN Cn1ccnc1[C@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000825326267 743248638 /nfs/dbraw/zinc/24/86/38/743248638.db2.gz KZBLXVCTVWWZBE-SWLSCSKDSA-N 0 3 350.806 2.992 20 5 FFBDHN CC(C)(CCC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)[N+](=O)[O-] ZINC000830903531 745448134 /nfs/dbraw/zinc/44/81/34/745448134.db2.gz LBDMZNAMKJLTTM-UHFFFAOYSA-N 0 3 365.396 2.743 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(C(=O)NC2CCN([C@H]3CCOC3)CC2)cc1Cl ZINC000836764470 746300421 /nfs/dbraw/zinc/30/04/21/746300421.db2.gz LPYJAXAEPDBJDR-ZDUSSCGKSA-N 0 3 367.833 2.540 20 5 FFBDHN CC(C)(C)OC(=O)[C@@]1(C)CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000839106004 746775939 /nfs/dbraw/zinc/77/59/39/746775939.db2.gz ZGIAADXVXYTMFI-YJBOKZPZSA-N 0 3 350.415 2.682 20 5 FFBDHN CO[C@@](C)([C@H](C)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000839637523 746877300 /nfs/dbraw/zinc/87/73/00/746877300.db2.gz FARQLZSTBODJHF-QFYYESIMSA-N 0 3 355.822 2.980 20 5 FFBDHN CO[C@](C)([C@H](C)NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000839638101 746877963 /nfs/dbraw/zinc/87/79/63/746877963.db2.gz HPJZPADSXFCIPF-MGPLVRAMSA-N 0 3 355.822 2.980 20 5 FFBDHN CC[C@H](C(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)N(C)C ZINC000840526938 747116376 /nfs/dbraw/zinc/11/63/76/747116376.db2.gz KTLZDUGXPSGYSM-SKDRFNHKSA-N 0 3 351.300 2.794 20 5 FFBDHN O=[N+]([O-])c1cccc([C@@H](O)CNC[C@H](O)c2c(F)cccc2Cl)c1 ZINC000843084475 747765382 /nfs/dbraw/zinc/76/53/82/747765382.db2.gz BBTQEGOGPWBQBS-GJZGRUSLSA-N 0 3 354.765 2.744 20 5 FFBDHN CC(C)N(CCn1cnc(Br)n1)Cc1ccc([N+](=O)[O-])cc1 ZINC000851734936 749655211 /nfs/dbraw/zinc/65/52/11/749655211.db2.gz BJRBIWIEXPHIKB-UHFFFAOYSA-N 0 3 368.235 2.859 20 5 FFBDHN C[C@@H](NCC(C)(C)[C@@H]1COCC12OCCO2)c1c(F)cccc1[N+](=O)[O-] ZINC000872079689 1013139859 /nfs/dbraw/zinc/13/98/59/1013139859.db2.gz OEGHCHWVCDENBP-DOMZBBRYSA-N 0 3 368.405 2.800 20 5 FFBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000874845397 1013916201 /nfs/dbraw/zinc/91/62/01/1013916201.db2.gz GGJZLLIUHJJPMO-SJLPKXTDSA-N 0 3 372.469 2.506 20 5 FFBDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000157321246 984539100 /nfs/dbraw/zinc/53/91/00/984539100.db2.gz SWMHYXHLOKJLNB-DHZHZOJOSA-N 0 3 369.421 2.904 20 5 FFBDHN C[C@H](CNc1ccc([N+](=O)[O-])c2nonc21)N1CCc2ccccc2C1 ZINC000914863018 988001499 /nfs/dbraw/zinc/00/14/99/988001499.db2.gz CZQDDSSYNLAHGA-GFCCVEGCSA-N 0 3 353.382 2.990 20 5 FFBDHN O=C1C[C@@H]([C@@H]2CCCCN2Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CN1 ZINC000125844202 989015869 /nfs/dbraw/zinc/01/58/69/989015869.db2.gz ZASXSHDYHKKIPJ-PBHICJAKSA-N 0 3 370.409 2.740 20 5 FFBDHN C[C@@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000130516510 990225724 /nfs/dbraw/zinc/22/57/24/990225724.db2.gz YRCXORSBJYTFAU-OAHLLOKOSA-N 0 3 360.458 2.799 20 5 FFBDHN COC(=O)[C@H](C)[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000154619757 990325934 /nfs/dbraw/zinc/32/59/34/990325934.db2.gz HPZCWORBYPDFAC-BVGQSLNGSA-N 0 3 358.394 2.768 20 5 FFBDHN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000068084590 991331253 /nfs/dbraw/zinc/33/12/53/991331253.db2.gz XHWFCKSHZXPAKH-RYUDHWBXSA-N 0 3 364.402 2.662 20 5 FFBDHN Cc1ccc([C@@H](C)N[C@H](C)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1[N+](=O)[O-] ZINC000813330187 995666422 /nfs/dbraw/zinc/66/64/22/995666422.db2.gz UMGOASWIBJZVPR-VXGBXAGGSA-N 0 3 368.393 2.845 20 5 FFBDHN O=C(N[C@@H](CN1CCCC1)c1ccccc1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824616431 997014921 /nfs/dbraw/zinc/01/49/21/997014921.db2.gz VWGMXBDSGSKORX-OALUTQOASA-N 0 3 369.421 2.582 20 5 FFBDHN CN(C)CCN(Cc1ccccn1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000730547832 997278282 /nfs/dbraw/zinc/27/82/82/997278282.db2.gz JAJYUGYZPJYSIY-DHZHZOJOSA-N 0 3 354.410 2.593 20 5 FFBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)N1CCCC[C@@H]1C ZINC000825460552 997386523 /nfs/dbraw/zinc/38/65/23/997386523.db2.gz AHPAKNJVZGSREG-STQMWFEESA-N 0 3 366.437 2.793 20 5 FFBDHN CCCCCCN(C)CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000731871551 998312417 /nfs/dbraw/zinc/31/24/17/998312417.db2.gz IFNTVDFDZWQSEC-UHFFFAOYSA-N 0 3 362.474 2.756 20 5 FFBDHN C[C@H]1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000744798053 999876323 /nfs/dbraw/zinc/87/63/23/999876323.db2.gz FPTKPZOMHQICHL-HNNXBMFYSA-N 0 3 360.458 2.657 20 5 FFBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000791299603 1002637787 /nfs/dbraw/zinc/63/77/87/1002637787.db2.gz CHQSHIBDXWVZKO-SFHVURJKSA-N 0 3 372.400 2.883 20 5 FFBDHN COC(=O)[C@@H]1CCCN([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])[C@@H]1C ZINC001170345208 1003132306 /nfs/dbraw/zinc/13/23/06/1003132306.db2.gz HYRTVJQDWWWGBM-XJKCOSOUSA-N 0 3 350.415 2.808 20 5 FFBDHN COc1ccc(C[C@@H](C)N2CCC(NC(=O)C3CC3)CC2)c([N+](=O)[O-])c1 ZINC001170347490 1003134204 /nfs/dbraw/zinc/13/42/04/1003134204.db2.gz RGGWDYHYHQNCGX-CYBMUJFWSA-N 0 3 361.442 2.525 20 5 FFBDHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCN(C)C2(CCCCC2)C1 ZINC001186499652 1003328260 /nfs/dbraw/zinc/32/82/60/1003328260.db2.gz NPVNOHGSNLULDS-UHFFFAOYSA-N 0 3 361.368 2.802 20 5 FFBDHN COc1ccc(OCCN(C)CCC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001192253035 1004097391 /nfs/dbraw/zinc/09/73/91/1004097391.db2.gz NWDASLNROUILHQ-UHFFFAOYSA-N 0 3 354.403 2.646 20 5 FFBDHN CCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)[C@H]1CCN(CC)C1 ZINC000855490185 1007366123 /nfs/dbraw/zinc/36/61/23/1007366123.db2.gz FBDQIAJPNOWEAZ-ZDUSSCGKSA-N 0 3 364.402 2.676 20 5 FFBDHN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(C2CCCC2)CC1 ZINC001136177356 1008005369 /nfs/dbraw/zinc/00/53/69/1008005369.db2.gz IMWYSHMMXLZGGV-UHFFFAOYSA-N 0 3 351.834 2.878 20 5 FFBDHN CCOc1cc(N2CCN(C[C@@H]3C[C@@]34CCOC4)CC2)ccc1[N+](=O)[O-] ZINC000886181383 1008598174 /nfs/dbraw/zinc/59/81/74/1008598174.db2.gz KNPQAJGWPZSXOH-HNAYVOBHSA-N 0 3 361.442 2.542 20 5 FFBDHN O=[N+]([O-])c1cc(F)cc(-c2nc(-c3ccc4c(n3)CCNC4)no2)c1F ZINC001217049362 1032597873 /nfs/dbraw/zinc/59/78/73/1032597873.db2.gz GXPHCKRLPBKGFW-UHFFFAOYSA-N 0 3 359.292 2.631 20 5 FFBDHN O=C1NCc2ccccc2[C@@H]1N[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912747 1012126194 /nfs/dbraw/zinc/12/61/94/1012126194.db2.gz OZFMVFZKWMMNLV-APWZRJJASA-N 0 3 351.406 2.803 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N(C)[C@@H]2CCCN(C(C)=O)C2)c1F ZINC001173191465 1012332972 /nfs/dbraw/zinc/33/29/72/1012332972.db2.gz FKBXUVGSJHVORN-TZMCWYRMSA-N 0 3 367.421 2.616 20 5 FFBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](NC(=O)N2CCCC2)C1 ZINC001173238495 1012385278 /nfs/dbraw/zinc/38/52/78/1012385278.db2.gz TXPAJMXWWWPRSH-DOTOQJQBSA-N 0 3 360.458 2.796 20 5 FFBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCN(C)C(C)(C)CC2)cc1OC ZINC000871150577 1012750409 /nfs/dbraw/zinc/75/04/09/1012750409.db2.gz PMFRCCFIYMFYLB-UHFFFAOYSA-N 0 3 365.430 2.558 20 5 FFBDHN O=C1OCC[C@@H]1CCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000828807699 1032847703 /nfs/dbraw/zinc/84/77/03/1032847703.db2.gz PXOYYCUQBCHNDH-XIRDDKMYSA-N 0 3 362.426 2.654 20 5 FFBDHN Cc1c(C(=O)NC[C@@H](c2ccccc2)N(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000016599408 1022281189 /nfs/dbraw/zinc/28/11/89/1022281189.db2.gz FHNISVKGJXRVOH-KRWDZBQOSA-N 0 3 372.381 2.844 20 5 FFBDHN CN(C)CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000116140707 1022381406 /nfs/dbraw/zinc/38/14/06/1022381406.db2.gz AAZDIXNMKLWQHE-UHFFFAOYSA-N 0 3 358.354 2.711 20 5 FFBDHN CN(C)CCN(CCc1ccccc1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000751088473 1022755397 /nfs/dbraw/zinc/75/53/97/1022755397.db2.gz IGVQDOHFGLKOSP-UHFFFAOYSA-N 0 3 359.401 2.980 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCCc2ccsc2)cc1 ZINC001120577338 1023369049 /nfs/dbraw/zinc/36/90/49/1023369049.db2.gz XFSTZSIDMJVPEO-UHFFFAOYSA-N 0 3 354.453 2.652 20 5 FFBDHN COc1cc(C(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1O[C@H]1CN[C@@H]1C ZINC001218382993 1033131029 /nfs/dbraw/zinc/13/10/29/1033131029.db2.gz FJUOQAYRILOBQG-PXAZEXFGSA-N 0 3 356.378 2.882 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ncn(CN3CC[C@H](C4CCOCC4)C3)n2)cc1 ZINC000754782621 1023517131 /nfs/dbraw/zinc/51/71/31/1023517131.db2.gz JINQFYRGHJSEMD-INIZCTEOSA-N 0 3 357.414 2.559 20 5 FFBDHN O=[N+]([O-])c1cc(O[C@H]2CNCCC2(F)F)c(F)cc1Br ZINC001218448111 1033161098 /nfs/dbraw/zinc/16/10/98/1033161098.db2.gz MDOAXPRBADZMFK-JTQLQIEISA-N 0 3 355.110 2.872 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ncn(CN3CCCC[C@@H]3[C@@H]3CCC[C@H]3O)n2)cc1 ZINC000840117681 1026964788 /nfs/dbraw/zinc/96/47/88/1026964788.db2.gz WCVCOESDWYUQCK-RCCFBDPRSA-N 0 3 371.441 2.826 20 5 FFBDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001153484382 1027903272 /nfs/dbraw/zinc/90/32/72/1027903272.db2.gz ZITZDZQPBGBCOL-GHMZBOCLSA-N 0 3 370.247 2.846 20 5 FFBDHN O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001161753130 1028303779 /nfs/dbraw/zinc/30/37/79/1028303779.db2.gz FXUIYMJAGPLENB-UHFFFAOYSA-N 0 3 356.382 2.934 20 5 FFBDHN NCc1ccnn1-c1cnc(Cl)nc1Sc1ccc([N+](=O)[O-])cc1 ZINC001162592413 1028590506 /nfs/dbraw/zinc/59/05/06/1028590506.db2.gz DIYAZVHDZGQDON-UHFFFAOYSA-N 0 3 362.802 2.834 20 5 FFBDHN CSc1nc(Cl)c([N+](=O)[O-])c(N2CCN[C@H](c3ccccc3)C2)n1 ZINC001157758688 1029655999 /nfs/dbraw/zinc/65/59/99/1029655999.db2.gz CGOGIQUIGJZASP-NSHDSACASA-N 0 3 365.846 2.911 20 5 FFBDHN C[C@H]1CCN(Cc2ccccc2)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1C(N)=O ZINC001226165520 1034554537 /nfs/dbraw/zinc/55/45/37/1034554537.db2.gz LLWMESBQOZWIPA-LIRRHRJNSA-N 0 3 369.421 2.983 20 5 FFBDHN CN1CCc2c(cccc2O[C@@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)C1 ZINC001234425766 1037033657 /nfs/dbraw/zinc/03/36/57/1037033657.db2.gz YIYLDLLXMQPNAP-IBGZPJMESA-N 0 3 356.378 2.800 20 5 FFBDHN COc1cc(N2CCC(NCc3ccncc3F)CC2)ccc1[N+](=O)[O-] ZINC001256087310 1038373345 /nfs/dbraw/zinc/37/33/45/1038373345.db2.gz WCCIAYNRQADFTL-UHFFFAOYSA-N 0 3 360.389 2.896 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCC(N3CC[C@](O)(C(F)(F)F)C3)CC2)cc1 ZINC001254475070 1040741462 /nfs/dbraw/zinc/74/14/62/1040741462.db2.gz ZOUBKVXTMCDPKG-OAHLLOKOSA-N 0 3 359.348 2.563 20 5 FFBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)OC(C)(C)C ZINC001254551515 1040795198 /nfs/dbraw/zinc/79/51/98/1040795198.db2.gz CMZMNSIBRJEHRP-UTXMOHQDSA-N 0 3 361.442 2.981 20 5 FFBDHN O=C1COc2ccccc2N1CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC001261553888 1041307772 /nfs/dbraw/zinc/30/77/72/1041307772.db2.gz MZZASPSMYZWBLY-OAHLLOKOSA-N 0 3 353.378 2.597 20 5 FFBDHN CC(C)n1cnnc1[C@H]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001324939951 1046297626 /nfs/dbraw/zinc/29/76/26/1046297626.db2.gz BURRXQQOQIEMFK-DOTOQJQBSA-N 0 3 359.430 2.680 20 5 FFBDHN CC(C)n1ncc2c1[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)CCC2 ZINC001327990803 1048124747 /nfs/dbraw/zinc/12/47/47/1048124747.db2.gz AQVPZVQOVSJZPW-FUHWJXTLSA-N 0 3 374.441 2.779 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001333021350 1048675787 /nfs/dbraw/zinc/67/57/87/1048675787.db2.gz FDZLPAAQYJYONW-AWEZNQCLSA-N 0 3 354.414 2.856 20 5 FFBDHN CN(CCc1nccc(C(F)(F)F)n1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001333452556 1048911119 /nfs/dbraw/zinc/91/11/19/1048911119.db2.gz LEFLFABJOZXGBI-ZDUSSCGKSA-N 0 3 370.331 2.612 20 5 FFBDHN CCCN1CC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC001331278950 1049547023 /nfs/dbraw/zinc/54/70/23/1049547023.db2.gz BBGVRPVLDXMJAR-SNVBAGLBSA-N 0 3 374.210 2.711 20 5 FFBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001307929413 1052367566 /nfs/dbraw/zinc/36/75/66/1052367566.db2.gz YHXWIMKBHPTTEV-OEYIWLLWSA-N 0 3 358.398 2.799 20 5 FFBDHN COC(=O)[C@H](C)Oc1ccccc1CNCCOc1ccc([N+](=O)[O-])cc1 ZINC001308247312 1052436567 /nfs/dbraw/zinc/43/65/67/1052436567.db2.gz POLPVHIXCQGPGR-AWEZNQCLSA-N 0 3 374.393 2.704 20 5 FFBDHN Cc1c(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000847253265 1055321135 /nfs/dbraw/zinc/32/11/35/1055321135.db2.gz ABGUWEGCRWYPIG-HUUCEWRRSA-N 0 3 362.386 2.558 20 5 FFBDHN CC(C)[C@@H](CNc1ncc([N+](=O)[O-])c2ccccc21)N1CCN(C)CC1 ZINC001353227509 1056207807 /nfs/dbraw/zinc/20/78/07/1056207807.db2.gz FFVKOWAWGAXRFJ-QGZVFWFLSA-N 0 3 357.458 2.827 20 5 FFBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@@H]3CCC[C@@H](C(F)(F)F)O3)CC2)n1 ZINC001351413601 1056252461 /nfs/dbraw/zinc/25/24/61/1056252461.db2.gz HRTMDKJQSCVYFN-STQMWFEESA-N 0 3 362.352 2.928 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849597329 1056938534 /nfs/dbraw/zinc/93/85/34/1056938534.db2.gz SFOVPIGLQNCLQH-JKSUJKDBSA-N 0 3 371.441 2.619 20 5 FFBDHN O=C(NC[C@@H]1NCCc2ccccc21)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001521540948 1060948182 /nfs/dbraw/zinc/94/81/82/1060948182.db2.gz OEQYXNJAIWSOPD-OTWHNJEPSA-N 0 3 351.406 2.702 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N[C@H](C)CN(C)C(C)C ZINC001475273973 1061030664 /nfs/dbraw/zinc/03/06/64/1061030664.db2.gz PQOCSCLHIPJGKS-LLVKDONJSA-N 0 3 363.867 2.564 20 5 FFBDHN Cc1c(CNC[C@@H]2COCCN2C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC001461678516 1061376182 /nfs/dbraw/zinc/37/61/82/1061376182.db2.gz ZTKQENNFYNDMEO-OAHLLOKOSA-N 0 3 365.430 2.629 20 5 FFBDHN C[C@@H](NC(=O)Nc1ccnc([C@@H]2CCCN2)n1)c1cccc([N+](=O)[O-])c1 ZINC001576216053 1078206825 /nfs/dbraw/zinc/20/68/25/1078206825.db2.gz HUBKIEIICMENHE-RISCZKNCSA-N 0 3 356.386 2.692 20 5 FFBDHN CCC(CC)[C@@H](CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C)N(C)C ZINC001561474776 1076381961 /nfs/dbraw/zinc/38/19/61/1076381961.db2.gz PUOJBGUMEHUAKN-OAHLLOKOSA-N 0 3 371.503 2.856 20 5 FFBDHN CC(C)CN(CC1CC[NH+](C)CC1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001574205128 1077926228 /nfs/dbraw/zinc/92/62/28/1077926228.db2.gz MYYSSYPAZGDDSV-UHFFFAOYSA-N 0 3 373.461 2.579 20 5 FFBDHN CC(C)CN(CC1CC[NH+](C)CC1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001574205128 1077926231 /nfs/dbraw/zinc/92/62/31/1077926231.db2.gz MYYSSYPAZGDDSV-UHFFFAOYSA-N 0 3 373.461 2.579 20 5 FFBDHN CN(C(=O)c1ccc([N+](=O)[O-])cc1N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001587795165 1079865787 /nfs/dbraw/zinc/86/57/87/1079865787.db2.gz VVCFUCXBCDCULQ-KRWDZBQOSA-N 0 3 368.437 2.914 20 5 FFBDHN C[C@H]1CCC[N@H+](CCCCNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590259597 1081128555 /nfs/dbraw/zinc/12/85/55/1081128555.db2.gz LJFADHBLXFYPRM-ZDUSSCGKSA-N 0 3 359.434 2.699 20 5 FFBDHN C[C@H]1CCC[N@@H+](CCCCNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590259597 1081128559 /nfs/dbraw/zinc/12/85/59/1081128559.db2.gz LJFADHBLXFYPRM-ZDUSSCGKSA-N 0 3 359.434 2.699 20 5 FFBDHN C[C@H]1CCC[N@H+](CCCCNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001590259597 1081128562 /nfs/dbraw/zinc/12/85/62/1081128562.db2.gz LJFADHBLXFYPRM-ZDUSSCGKSA-N 0 3 359.434 2.699 20 5 FFBDHN C[C@H]1CCC[N@@H+](CCCCNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001590259597 1081128564 /nfs/dbraw/zinc/12/85/64/1081128564.db2.gz LJFADHBLXFYPRM-ZDUSSCGKSA-N 0 3 359.434 2.699 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCCN2CCSC3(CCOCC3)C2)cc1 ZINC000186836613 251273161 /nfs/dbraw/zinc/27/31/61/251273161.db2.gz KRJQTMFJEZDHMU-UHFFFAOYSA-N 0 3 352.456 2.962 20 5 FFBDHN CS(=O)(=O)[C@H]1CCCC[C@@H]1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272705523 252107697 /nfs/dbraw/zinc/10/76/97/252107697.db2.gz ZPBLLUAEARAIOA-ZFWWWQNUSA-N 0 3 360.863 2.736 20 5 FFBDHN C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000273025628 252195320 /nfs/dbraw/zinc/19/53/20/252195320.db2.gz UJSJKOUAVUMRLI-CQSZACIVSA-N 0 3 358.442 2.575 20 5 FFBDHN CS[C@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1N1CCCC1 ZINC000273526906 252324387 /nfs/dbraw/zinc/32/43/87/252324387.db2.gz QKNBYHSUWVVQOJ-IRXDYDNUSA-N 0 3 374.466 2.728 20 5 FFBDHN CS[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1N1CCCC1 ZINC000275810990 256050067 /nfs/dbraw/zinc/05/00/67/256050067.db2.gz QAGVQHZPMOLNBB-HUUCEWRRSA-N 0 3 350.444 2.638 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000277631977 256220318 /nfs/dbraw/zinc/22/03/18/256220318.db2.gz SHJVJQJHWBOURI-UHFFFAOYSA-N 0 3 359.382 2.796 20 5 FFBDHN CCS[C@H]1CCC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000286332106 257031560 /nfs/dbraw/zinc/03/15/60/257031560.db2.gz XBCPQDZEEJFFCN-GJZGRUSLSA-N 0 3 358.485 2.632 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@@H](CCO)c2ccc(Cl)cc2)c1 ZINC000286697283 257050376 /nfs/dbraw/zinc/05/03/76/257050376.db2.gz DOINYXRWCLQJFQ-DLBZAZTESA-N 0 3 350.802 2.995 20 5 FFBDHN COc1ccc([C@H](CNc2ccc(N)cc2[N+](=O)[O-])N(C)C)cc1OC ZINC000287057059 257069585 /nfs/dbraw/zinc/06/95/85/257069585.db2.gz SGHLXXXYYUJWRG-INIZCTEOSA-N 0 3 360.414 2.909 20 5 FFBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000288169124 257154813 /nfs/dbraw/zinc/15/48/13/257154813.db2.gz AXNHWHDQOJUYDP-KGLIPLIRSA-N 0 3 354.410 2.842 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000289314382 257274243 /nfs/dbraw/zinc/27/42/43/257274243.db2.gz BOBCUFSHKZFGLX-AZUAARDMSA-N 0 3 368.437 2.877 20 5 FFBDHN CC1(C)CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]1[C@H]1CCCO1 ZINC000289969465 257309274 /nfs/dbraw/zinc/30/92/74/257309274.db2.gz XELNISAFCGOFOM-NVXWUHKLSA-N 0 3 365.405 2.952 20 5 FFBDHN COc1ccc([C@@H](CN2CCCC2)Nc2ncc([N+](=O)[O-])c(C)n2)cc1 ZINC000295113282 257616942 /nfs/dbraw/zinc/61/69/42/257616942.db2.gz VRJVZERINMPJBB-MRXNPFEDSA-N 0 3 357.414 2.951 20 5 FFBDHN COCCN1CCC[C@H]1CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000301160059 258029795 /nfs/dbraw/zinc/02/97/95/258029795.db2.gz OWJLRWZUJCSCLN-LBPRGKRZSA-N 0 3 358.236 2.880 20 5 FFBDHN Cc1ccnc(NCc2ccc(CN3CCN(C)CC3)cc2)c1[N+](=O)[O-] ZINC000301309251 258041787 /nfs/dbraw/zinc/04/17/87/258041787.db2.gz XISUWKOFKANIQG-UHFFFAOYSA-N 0 3 355.442 2.658 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000302481393 258103247 /nfs/dbraw/zinc/10/32/47/258103247.db2.gz WMKNQOGKNCMUMZ-HXUWFJFHSA-N 0 3 355.438 2.976 20 5 FFBDHN C[C@@H]1C[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)CN1Cc1ccccc1 ZINC000301975103 258079236 /nfs/dbraw/zinc/07/92/36/258079236.db2.gz VRNZXIZBMRZTPX-UKRRQHHQSA-N 0 3 352.398 2.712 20 5 FFBDHN C[C@@H]1CN(CC2CCN(Cc3csc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000330427432 258163804 /nfs/dbraw/zinc/16/38/04/258163804.db2.gz KLCXZVCISANDLQ-OKILXGFUSA-N 0 3 353.488 2.978 20 5 FFBDHN C[C@@H]1C[C@H](N(C)C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCN1C ZINC000330783052 258170449 /nfs/dbraw/zinc/17/04/49/258170449.db2.gz HRWUWZBYUGSXLM-ZYHUDNBSSA-N 0 3 357.357 2.751 20 5 FFBDHN CS[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000332082740 258213195 /nfs/dbraw/zinc/21/31/95/258213195.db2.gz OLCIGEBIFYJXOE-CABCVRRESA-N 0 3 369.874 2.900 20 5 FFBDHN C[C@H]1CN2CCCC[C@H]2CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000332465400 258231494 /nfs/dbraw/zinc/23/14/94/258231494.db2.gz ISJOMPUJCRECGY-JSGCOSHPSA-N 0 3 366.849 2.745 20 5 FFBDHN CCc1[nH]nc(C(=O)N2CCN(Cc3ccccc3)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000373068273 512155899 /nfs/dbraw/zinc/15/58/99/512155899.db2.gz FEGRBZVMEYUVQO-AWEZNQCLSA-N 0 3 371.441 2.617 20 5 FFBDHN CCCCNC(=O)[C@H]1CC[C@@H](C)N(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000064995480 506247868 /nfs/dbraw/zinc/24/78/68/506247868.db2.gz SKXQGIPMWDDVTL-CVEARBPZSA-N 0 3 363.458 2.990 20 5 FFBDHN Cc1sc(C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000371211344 512271102 /nfs/dbraw/zinc/27/11/02/512271102.db2.gz YZKCDKRVAOOENN-GFCCVEGCSA-N 0 3 361.423 2.934 20 5 FFBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000065940347 506398813 /nfs/dbraw/zinc/39/88/13/506398813.db2.gz VACVZWFLKNYCMF-UHFFFAOYSA-N 0 3 359.401 2.867 20 5 FFBDHN Cc1occc1C(=O)NC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000066890301 506682382 /nfs/dbraw/zinc/68/23/82/506682382.db2.gz SHWMDJQLCKZBRX-UHFFFAOYSA-N 0 3 357.410 2.933 20 5 FFBDHN Cc1nn(C)cc1[C@H]1CCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000367050037 512314591 /nfs/dbraw/zinc/31/45/91/512314591.db2.gz LMJQVZIUMHCSJR-MRXNPFEDSA-N 0 3 357.414 2.802 20 5 FFBDHN COc1cc(C(=O)NCc2cccc(CN(C)C)c2)c([N+](=O)[O-])cc1OC ZINC000046380221 507126081 /nfs/dbraw/zinc/12/60/81/507126081.db2.gz DOYGAZHOQDLOMW-UHFFFAOYSA-N 0 3 373.409 2.604 20 5 FFBDHN CN(C)CCOc1cccc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000057004911 507144596 /nfs/dbraw/zinc/14/45/96/507144596.db2.gz GBYYLPJLLAXNOV-UHFFFAOYSA-N 0 3 372.425 2.535 20 5 FFBDHN C[C@@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC[C@H](C)C1 ZINC000068203010 507147340 /nfs/dbraw/zinc/14/73/40/507147340.db2.gz SHXOTTZEGUEUEF-GJZGRUSLSA-N 0 3 358.442 2.786 20 5 FFBDHN O=C(COc1cccc([N+](=O)[O-])c1)N1CCN(CC2CCCCC2)CC1 ZINC000060578998 507565295 /nfs/dbraw/zinc/56/52/95/507565295.db2.gz HZDNSEFLXLCTOV-UHFFFAOYSA-N 0 3 361.442 2.698 20 5 FFBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCN(c2ccncc2)CC1 ZINC000061210559 507604094 /nfs/dbraw/zinc/60/40/94/507604094.db2.gz ILYZKQBXYUSMLK-UHFFFAOYSA-N 0 3 369.425 2.531 20 5 FFBDHN CC(C)CN1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000049969164 507645226 /nfs/dbraw/zinc/64/52/26/507645226.db2.gz JRVHGHHRYLSTDN-ZDUSSCGKSA-N 0 3 368.865 2.849 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000063467675 507734109 /nfs/dbraw/zinc/73/41/09/507734109.db2.gz WVKQFISRGNGRDK-UHFFFAOYSA-N 0 3 357.410 2.774 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000107372908 507847545 /nfs/dbraw/zinc/84/75/45/507847545.db2.gz QAFBSAQDAVEZFD-UHFFFAOYSA-N 0 3 357.414 2.894 20 5 FFBDHN CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCC(CO)CC1 ZINC000089924597 507884450 /nfs/dbraw/zinc/88/44/50/507884450.db2.gz LNJMSNPSUQCAPJ-UHFFFAOYSA-N 0 3 355.822 2.670 20 5 FFBDHN CCC[C@H](N[C@@H]1CCc2nc(COC)nn2C1)c1cccc([N+](=O)[O-])c1 ZINC000090393699 507917378 /nfs/dbraw/zinc/91/73/78/507917378.db2.gz OKKVWFNDSLHZGO-ZBFHGGJFSA-N 0 3 359.430 2.779 20 5 FFBDHN COc1cc(C(=O)N2C[C@@H](N(C)C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000109112782 507940093 /nfs/dbraw/zinc/94/00/93/507940093.db2.gz FPTYNCRMOKYZCS-HNNXBMFYSA-N 0 3 355.394 2.737 20 5 FFBDHN COC(=O)c1cc(NC(=O)c2cccc(CN(C)C)c2)cc([N+](=O)[O-])c1 ZINC000073817211 507959023 /nfs/dbraw/zinc/95/90/23/507959023.db2.gz CLHDKBUXAYTROD-UHFFFAOYSA-N 0 3 357.366 2.695 20 5 FFBDHN CC(C)CC[NH+]1CCC(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000080284040 508062329 /nfs/dbraw/zinc/06/23/29/508062329.db2.gz XZBCJUZSJOAOBH-UHFFFAOYSA-N 0 3 369.487 2.631 20 5 FFBDHN COc1ccc(CN(CCO)CCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000111322541 508090232 /nfs/dbraw/zinc/09/02/32/508090232.db2.gz CPZMKYJPTFVLEK-UHFFFAOYSA-N 0 3 360.410 2.649 20 5 FFBDHN CN(C(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F)c1ccc([N+](=O)[O-])nc1 ZINC000410803957 512378861 /nfs/dbraw/zinc/37/88/61/512378861.db2.gz BRNWEKKSCCWYFZ-VXGBXAGGSA-N 0 3 374.363 2.861 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000080960259 508118044 /nfs/dbraw/zinc/11/80/44/508118044.db2.gz KMNMWNZZBNVSGB-CQSZACIVSA-N 0 3 357.414 2.835 20 5 FFBDHN COc1cc(C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000081124425 508140362 /nfs/dbraw/zinc/14/03/62/508140362.db2.gz PTBCXXATMIGGGL-KRWDZBQOSA-N 0 3 369.421 2.950 20 5 FFBDHN C[C@@H]1CN(CCCCNC(=O)/C=C/c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000083043588 508234774 /nfs/dbraw/zinc/23/47/74/508234774.db2.gz MKCLJIMBECHRSI-WTBPUQPLSA-N 0 3 361.442 2.614 20 5 FFBDHN O=[N+]([O-])c1cnn(CCN(Cc2ccccc2)C[C@H](O)c2ccco2)c1 ZINC000084135370 508266765 /nfs/dbraw/zinc/26/67/65/508266765.db2.gz OMXZSIPASAAJBS-KRWDZBQOSA-N 0 3 356.382 2.620 20 5 FFBDHN C[C@@H]1CN(CCCCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H](C)O1 ZINC000085457041 508309916 /nfs/dbraw/zinc/30/99/16/508309916.db2.gz UEJPLLPHWAYBDS-OKILXGFUSA-N 0 3 374.441 2.695 20 5 FFBDHN CC(C)(CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)N1CCCCC1 ZINC000087024835 508332072 /nfs/dbraw/zinc/33/20/72/508332072.db2.gz HOWFRNPBKLSQJT-UHFFFAOYSA-N 0 3 360.458 2.927 20 5 FFBDHN C[C@@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)N1CCCC[C@H]1C ZINC000087037216 508333729 /nfs/dbraw/zinc/33/37/29/508333729.db2.gz FAHIPHXKPPWZOB-CABCVRRESA-N 0 3 360.458 2.925 20 5 FFBDHN CN(C)CCOc1ccccc1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088251928 508361316 /nfs/dbraw/zinc/36/13/16/508361316.db2.gz PFCFYBFWFICWJR-UHFFFAOYSA-N 0 3 369.421 2.734 20 5 FFBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000157119846 508525700 /nfs/dbraw/zinc/52/57/00/508525700.db2.gz LRPCHFGOGCROIL-QAPCUYQASA-N 0 3 360.458 2.730 20 5 FFBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)C[C@@H]1CCCN(C)C1 ZINC000118841527 508683401 /nfs/dbraw/zinc/68/34/01/508683401.db2.gz PVZGBFMRTKXPRU-ZIAGYGMSSA-N 0 3 359.430 2.979 20 5 FFBDHN Cn1cc([C@H](O)C[C@@H]2CCCN2CCCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000371454787 512411351 /nfs/dbraw/zinc/41/13/51/512411351.db2.gz BDYRCVCGEJAXLU-PKOBYXMFSA-N 0 3 374.441 2.685 20 5 FFBDHN CCOc1ccc([C@@H](C)NCCN2CCC(OC)CC2)cc1[N+](=O)[O-] ZINC000154156875 508727987 /nfs/dbraw/zinc/72/79/87/508727987.db2.gz AEPXKRJTYNFINO-CQSZACIVSA-N 0 3 351.447 2.755 20 5 FFBDHN O=C(CN[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])NCc1ccco1 ZINC000129708699 508756863 /nfs/dbraw/zinc/75/68/63/508756863.db2.gz IMIHDYFKFHBTCP-PBHICJAKSA-N 0 3 357.410 2.805 20 5 FFBDHN COc1cc(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)ccc1[N+](=O)[O-] ZINC000159233909 508811284 /nfs/dbraw/zinc/81/12/84/508811284.db2.gz DCFHWZOJYMIACX-MRXNPFEDSA-N 0 3 357.410 2.506 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000119701523 508846709 /nfs/dbraw/zinc/84/67/09/508846709.db2.gz OBVFGPVNMNDHLX-UGSOOPFHSA-N 0 3 357.385 2.984 20 5 FFBDHN C[C@@]1(CNC(=O)c2c(N)cccc2[N+](=O)[O-])CCCN1Cc1ccccc1 ZINC000154829839 508864762 /nfs/dbraw/zinc/86/47/62/508864762.db2.gz UEVCYVVGOYZDLU-FQEVSTJZSA-N 0 3 368.437 2.962 20 5 FFBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C2 ZINC000131389888 508924935 /nfs/dbraw/zinc/92/49/35/508924935.db2.gz NSHCXTSNLVRQLG-QWHCGFSZSA-N 0 3 357.332 2.922 20 5 FFBDHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(CC2CC2)C1 ZINC000120657883 509040011 /nfs/dbraw/zinc/04/00/11/509040011.db2.gz FSVCBBZGPPYXPH-KRWDZBQOSA-N 0 3 360.458 2.701 20 5 FFBDHN CN(CCN1CCCC1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000120735869 509055007 /nfs/dbraw/zinc/05/50/07/509055007.db2.gz HTGZMCZHYVFFBP-UHFFFAOYSA-N 0 3 356.220 2.525 20 5 FFBDHN C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C[NH+](C)C ZINC000126084943 509061541 /nfs/dbraw/zinc/06/15/41/509061541.db2.gz NBCPLLRWNPMNMZ-SNVBAGLBSA-N 0 3 363.867 2.503 20 5 FFBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CC1CCOCC1 ZINC000155729737 509060383 /nfs/dbraw/zinc/06/03/83/509060383.db2.gz OQVWQTWUOAVYNA-NSHDSACASA-N 0 3 355.822 2.934 20 5 FFBDHN CN(C)C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000121216317 509151439 /nfs/dbraw/zinc/15/14/39/509151439.db2.gz NWKCMQDJSASHQE-GFCCVEGCSA-N 0 3 370.247 2.914 20 5 FFBDHN CN1CC[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000248055183 509226455 /nfs/dbraw/zinc/22/64/55/509226455.db2.gz OHISILKNUUWCOI-PKOBYXMFSA-N 0 3 355.394 2.535 20 5 FFBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NC1CCN(CCc2ccccc2)CC1 ZINC000172789242 509237630 /nfs/dbraw/zinc/23/76/30/509237630.db2.gz ZFNXGOSZQIDALQ-UHFFFAOYSA-N 0 3 367.449 2.961 20 5 FFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)[C@H](C)C1 ZINC000191987337 509280320 /nfs/dbraw/zinc/28/03/20/509280320.db2.gz LYCWYXDUBRLMPV-CABCVRRESA-N 0 3 369.487 2.562 20 5 FFBDHN CCN(CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000182626318 509340624 /nfs/dbraw/zinc/34/06/24/509340624.db2.gz HKIVKCOWIUHWCP-UHFFFAOYSA-N 0 3 357.863 2.941 20 5 FFBDHN C[C@@H]1C[C@H](N(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])CCN1C ZINC000267428320 509475905 /nfs/dbraw/zinc/47/59/05/509475905.db2.gz CCYFAPWRIXRXOA-ZYHUDNBSSA-N 0 3 370.247 2.912 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H]2CCCc3c(O)cccc32)c1 ZINC000192364055 509483723 /nfs/dbraw/zinc/48/37/23/509483723.db2.gz CJZJLXINUOKCLN-RDTXWAMCSA-N 0 3 358.394 2.707 20 5 FFBDHN CC(C)(NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC000173279785 509499406 /nfs/dbraw/zinc/49/94/06/509499406.db2.gz JBELZKACJNNDFF-GFCCVEGCSA-N 0 3 373.240 2.984 20 5 FFBDHN Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H](N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000264439416 509527523 /nfs/dbraw/zinc/52/75/23/509527523.db2.gz DOQRKSJNZBHVAW-AWEZNQCLSA-N 0 3 362.386 2.512 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000248907112 509538769 /nfs/dbraw/zinc/53/87/69/509538769.db2.gz UXUJMHVITOZJOA-XJKSGUPXSA-N 0 3 355.398 2.632 20 5 FFBDHN C[C@@H](N[C@H](C)C1CCOCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000179876173 509658171 /nfs/dbraw/zinc/65/81/71/509658171.db2.gz JADWNRQBGMZULB-GHMZBOCLSA-N 0 3 355.822 2.980 20 5 FFBDHN Cc1ccc([C@@H](C)NC(=O)NC[C@]2(N(C)C)CCSC2)cc1[N+](=O)[O-] ZINC000267976709 509696805 /nfs/dbraw/zinc/69/68/05/509696805.db2.gz FTQJUYMJLVIGNI-CXAGYDPISA-N 0 3 366.487 2.701 20 5 FFBDHN C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000186494312 509737626 /nfs/dbraw/zinc/73/76/26/509737626.db2.gz UFFCAEVQXLPFME-AUUYWEPGSA-N 0 3 356.426 2.814 20 5 FFBDHN CN(C)C1(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000268093945 509752612 /nfs/dbraw/zinc/75/26/12/509752612.db2.gz BRLLBFSVFHTHRF-UHFFFAOYSA-N 0 3 357.385 2.563 20 5 FFBDHN CN1CC[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000180139818 509773140 /nfs/dbraw/zinc/77/31/40/509773140.db2.gz AXLFVZDXEIDHHF-BEFAXECRSA-N 0 3 355.394 2.535 20 5 FFBDHN COc1ccc([C@@H]2CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000249903474 509778744 /nfs/dbraw/zinc/77/87/44/509778744.db2.gz UFZISRMOIQPULF-SJLPKXTDSA-N 0 3 372.421 2.833 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCc2ccccc2[C@H]1CO ZINC000268148579 509782182 /nfs/dbraw/zinc/78/21/82/509782182.db2.gz RCDNBDRGJCQDNL-LJQANCHMSA-N 0 3 369.421 2.824 20 5 FFBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@H](C)C1 ZINC000252735504 509859722 /nfs/dbraw/zinc/85/97/22/509859722.db2.gz MYSUNKDAEPTKJL-UONOGXRCSA-N 0 3 356.426 2.993 20 5 FFBDHN CC(C)CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000265150603 509891077 /nfs/dbraw/zinc/89/10/77/509891077.db2.gz YQIKJZOTYWEDIB-UHFFFAOYSA-N 0 3 364.402 2.695 20 5 FFBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177290269 509980729 /nfs/dbraw/zinc/98/07/29/509980729.db2.gz SCUYMGZERTZINW-NSHDSACASA-N 0 3 370.247 2.771 20 5 FFBDHN O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)Nc1ccncc1[N+](=O)[O-] ZINC000193874821 510110000 /nfs/dbraw/zinc/11/00/00/510110000.db2.gz NVGZTFVBZWGRBW-HNNXBMFYSA-N 0 3 355.398 2.633 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000193950069 510144432 /nfs/dbraw/zinc/14/44/32/510144432.db2.gz MSHPELFAEIYRAC-UHFFFAOYSA-N 0 3 372.425 2.664 20 5 FFBDHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(-c2ccncc2)cc1 ZINC000180931331 510190031 /nfs/dbraw/zinc/19/00/31/510190031.db2.gz MWLUGXPJWGEDMK-KUHUBIRLSA-N 0 3 367.409 2.565 20 5 FFBDHN N[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000262259716 510223336 /nfs/dbraw/zinc/22/33/36/510223336.db2.gz QZYDJJNUBXTXCZ-DLBZAZTESA-N 0 3 366.421 2.736 20 5 FFBDHN CN1CC[C@H]2[C@H](CCCN2c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000269091042 510231256 /nfs/dbraw/zinc/23/12/56/510231256.db2.gz LAHYQIPGLPIXIU-MFKMUULPSA-N 0 3 355.236 2.673 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN(Cc2ccccc2)Cc2ccccc2)c1 ZINC000174665643 510238791 /nfs/dbraw/zinc/23/87/91/510238791.db2.gz LUGFSWQKMLQTJF-FQEVSTJZSA-N 0 3 366.421 2.855 20 5 FFBDHN CC(C)N1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000265820445 510247013 /nfs/dbraw/zinc/24/70/13/510247013.db2.gz RBWGMDVTKONANO-UHFFFAOYSA-N 0 3 370.247 2.914 20 5 FFBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000181284332 510338606 /nfs/dbraw/zinc/33/86/06/510338606.db2.gz FRGCPOPAQUYIFF-OAHLLOKOSA-N 0 3 356.426 2.915 20 5 FFBDHN CCO[C@H]1C[C@@](N)(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000187712984 510398519 /nfs/dbraw/zinc/39/85/19/510398519.db2.gz QOYVNZFTYXAJQO-QFBILLFUSA-N 0 3 363.458 2.566 20 5 FFBDHN CCS(=O)(=O)N(C)CCCNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000181454196 510417927 /nfs/dbraw/zinc/41/79/27/510417927.db2.gz KSRWXZWUTXQNSL-UHFFFAOYSA-N 0 3 366.443 2.535 20 5 FFBDHN Nc1c(C(=O)NCC2CCN(Cc3cccs3)CC2)cccc1[N+](=O)[O-] ZINC000178182578 510476067 /nfs/dbraw/zinc/47/60/67/510476067.db2.gz TZNYCQBMMVUFQH-UHFFFAOYSA-N 0 3 374.466 2.881 20 5 FFBDHN CN1CCC(Nc2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000178187627 510477397 /nfs/dbraw/zinc/47/73/97/510477397.db2.gz ZURPGELDCDCXTA-UHFFFAOYSA-N 0 3 369.425 2.935 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CCC(CN2CCOCC2)CC1 ZINC000175100618 510483183 /nfs/dbraw/zinc/48/31/83/510483183.db2.gz POGKZJIMTNRESN-UHFFFAOYSA-N 0 3 363.458 2.538 20 5 FFBDHN CCOC(=O)c1ccnc(NC[C@@H](C)N2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000246598967 510576639 /nfs/dbraw/zinc/57/66/39/510576639.db2.gz ABURXHSMVUAFAU-CHWSQXEVSA-N 0 3 350.419 2.699 20 5 FFBDHN CCN1CCC[C@H]1CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000181847629 510624581 /nfs/dbraw/zinc/62/45/81/510624581.db2.gz AIKDKQZNPGVTLY-LBPRGKRZSA-N 0 3 357.863 2.941 20 5 FFBDHN O=C(NCCCN1CCC(O)CC1)c1cc2ccccc2c2cccnc12 ZINC000172344729 510681318 /nfs/dbraw/zinc/68/13/18/510681318.db2.gz OQAGLQOLESKNBH-UHFFFAOYSA-N 0 3 363.461 2.965 20 5 FFBDHN O=C(CCN1CCC[C@H](c2cc[nH]n2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000185194466 510740761 /nfs/dbraw/zinc/74/07/61/510740761.db2.gz RVNSPJURMKDTEG-LBPRGKRZSA-N 0 3 361.377 2.665 20 5 FFBDHN CN(C)[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000178766881 510761429 /nfs/dbraw/zinc/76/14/29/510761429.db2.gz HDOIUMNULVWJNU-OAHLLOKOSA-N 0 3 360.439 2.501 20 5 FFBDHN NC(=O)NC1CCN(Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000175755081 510772962 /nfs/dbraw/zinc/77/29/62/510772962.db2.gz ANOKDXCIKMPOIZ-UHFFFAOYSA-N 0 3 351.406 2.579 20 5 FFBDHN CCSc1ccc([C@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000182136706 510775584 /nfs/dbraw/zinc/77/55/84/510775584.db2.gz JJUBGLNZXDQLBJ-WFASDCNBSA-N 0 3 350.444 2.615 20 5 FFBDHN CCN(CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CC1 ZINC000263779984 510837929 /nfs/dbraw/zinc/83/79/29/510837929.db2.gz VHPARLQKVGODDP-UHFFFAOYSA-N 0 3 363.461 2.755 20 5 FFBDHN COCCCN(C)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000172669559 510840800 /nfs/dbraw/zinc/84/08/00/510840800.db2.gz FJIYKMHIINMOMK-UHFFFAOYSA-N 0 3 351.428 2.508 20 5 FFBDHN CCOc1cc(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000247554932 510865472 /nfs/dbraw/zinc/86/54/72/510865472.db2.gz ZCGNFKRNIRLLIY-STQMWFEESA-N 0 3 365.430 2.557 20 5 FFBDHN CN1CCC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C2)C1 ZINC000293918370 510899056 /nfs/dbraw/zinc/89/90/56/510899056.db2.gz IHERPCIZHLPBGO-IBGZPJMESA-N 0 3 354.410 2.701 20 5 FFBDHN CN1CC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)C1 ZINC000293922481 510900644 /nfs/dbraw/zinc/90/06/44/510900644.db2.gz POCGHXFDJZYLCX-OAHLLOKOSA-N 0 3 357.332 2.781 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCCN2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000286515346 511027563 /nfs/dbraw/zinc/02/75/63/511027563.db2.gz NACHZEYTDQXRCR-WFASDCNBSA-N 0 3 362.348 2.856 20 5 FFBDHN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1N1CCN(C)CC1 ZINC000364725633 511045059 /nfs/dbraw/zinc/04/50/59/511045059.db2.gz ZXXYXNBCELMKJM-KSSFIOAISA-N 0 3 366.893 2.706 20 5 FFBDHN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1N1CCN(C)CC1 ZINC000364725632 511045164 /nfs/dbraw/zinc/04/51/64/511045164.db2.gz ZXXYXNBCELMKJM-KDOFPFPSSA-N 0 3 366.893 2.706 20 5 FFBDHN O=C1CC2(CN1)CCN(Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)CC2 ZINC000271168657 511106276 /nfs/dbraw/zinc/10/62/76/511106276.db2.gz GSCYATIZZCTXQG-UHFFFAOYSA-N 0 3 355.394 2.957 20 5 FFBDHN COc1cc(CNCCCCCO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000279846885 511239364 /nfs/dbraw/zinc/23/93/64/511239364.db2.gz DDMUEUCPICJETN-UHFFFAOYSA-N 0 3 366.336 2.797 20 5 FFBDHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1OC(F)F ZINC000271769459 511317349 /nfs/dbraw/zinc/31/73/49/511317349.db2.gz NPEQXAMRTUIYAR-NSHDSACASA-N 0 3 353.325 2.709 20 5 FFBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000295387612 511386527 /nfs/dbraw/zinc/38/65/27/511386527.db2.gz RECPLVVOMDHWME-ACJLOTCBSA-N 0 3 369.425 2.684 20 5 FFBDHN COc1ccc(CNC(=O)NCc2cccc(CN(C)C)c2)cc1[N+](=O)[O-] ZINC000298912288 511450447 /nfs/dbraw/zinc/45/04/47/511450447.db2.gz DOEXVGBJBIFEFL-UHFFFAOYSA-N 0 3 372.425 2.664 20 5 FFBDHN Cc1n[nH]c(C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)c1[N+](=O)[O-] ZINC000283694337 511464990 /nfs/dbraw/zinc/46/49/90/511464990.db2.gz XJXRRODGHYKCPF-OAHLLOKOSA-N 0 3 371.441 2.657 20 5 FFBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272213872 511466549 /nfs/dbraw/zinc/46/65/49/511466549.db2.gz SBIVYJHQWKETQH-LBPRGKRZSA-N 0 3 355.385 2.875 20 5 FFBDHN Cn1ccnc1[C@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000365627904 511569003 /nfs/dbraw/zinc/56/90/03/511569003.db2.gz KQGFYKQEWLSXPW-AWEZNQCLSA-N 0 3 357.414 2.537 20 5 FFBDHN COc1ccc(CN2CCC(CNC(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)cc1 ZINC000299297091 511583021 /nfs/dbraw/zinc/58/30/21/511583021.db2.gz KQJHILCIPGSMJZ-UHFFFAOYSA-N 0 3 372.425 2.574 20 5 FFBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(CCc4ccccn4)CC3)nc2c1 ZINC000299379059 511614372 /nfs/dbraw/zinc/61/43/72/511614372.db2.gz QSBQXAAXOKYDKP-UHFFFAOYSA-N 0 3 366.425 2.621 20 5 FFBDHN CS[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000284206040 511641233 /nfs/dbraw/zinc/64/12/33/511641233.db2.gz SRNMCESMTRYXOK-JKSUJKDBSA-N 0 3 366.443 2.515 20 5 FFBDHN CC[C@@H](NCC1(OCCOC)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000296288626 511686371 /nfs/dbraw/zinc/68/63/71/511686371.db2.gz FILMWPOIIVQOOE-QGZVFWFLSA-N 0 3 352.431 2.848 20 5 FFBDHN O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC[C@H](N2CCCC2)C1 ZINC000363698097 511710762 /nfs/dbraw/zinc/71/07/62/511710762.db2.gz ZXBDPJLEKLMPLZ-KRWDZBQOSA-N 0 3 372.469 2.895 20 5 FFBDHN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000292827608 511736404 /nfs/dbraw/zinc/73/64/04/511736404.db2.gz OMWXSLMWFSDOLI-CYBMUJFWSA-N 0 3 373.375 2.768 20 5 FFBDHN CC1(C)[C@H](NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H]2CCO[C@H]21 ZINC000296489513 511764780 /nfs/dbraw/zinc/76/47/80/511764780.db2.gz YTAMZCBXMWCUBY-VCTAVGKDSA-N 0 3 353.806 2.590 20 5 FFBDHN CNc1c(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000312486250 511784401 /nfs/dbraw/zinc/78/44/01/511784401.db2.gz JJYZMJKFCKGZDB-INIZCTEOSA-N 0 3 368.437 2.983 20 5 FFBDHN C[C@H](NCC(=O)NC[C@@H](c1ccccc1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000296745670 511880621 /nfs/dbraw/zinc/88/06/21/511880621.db2.gz PFYWMXXDMOESPP-KXBFYZLASA-N 0 3 370.453 2.665 20 5 FFBDHN CN1CC=C(CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000274646492 511899184 /nfs/dbraw/zinc/89/91/84/511899184.db2.gz MDQRCOKIPPWULW-UHFFFAOYSA-N 0 3 358.320 2.997 20 5 FFBDHN CCOc1ccc([C@@H](C)NCCCCCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000274770176 511936969 /nfs/dbraw/zinc/93/69/69/511936969.db2.gz HEGYBBVGGMWMSJ-CYBMUJFWSA-N 0 3 358.460 2.859 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000281880855 511999125 /nfs/dbraw/zinc/99/91/25/511999125.db2.gz GFDHKYZXBQTVLU-STQMWFEESA-N 0 3 350.419 2.940 20 5 FFBDHN C[C@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000293708137 512057653 /nfs/dbraw/zinc/05/76/53/512057653.db2.gz NZVHJNVARJKCFR-OAHLLOKOSA-N 0 3 361.442 2.697 20 5 FFBDHN CN1CCC2(CCCN2C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000367354597 512459352 /nfs/dbraw/zinc/45/93/52/512459352.db2.gz XQQSHLASRPQVSA-UHFFFAOYSA-N 0 3 370.409 2.549 20 5 FFBDHN CC[C@@H](NCCC(=O)Nc1ccc(C(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000411476764 512654317 /nfs/dbraw/zinc/65/43/17/512654317.db2.gz QHCSJBVBLMNZJO-QGZVFWFLSA-N 0 3 370.409 2.763 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H](C)CN2CCC[C@H](C)C2)c1F ZINC000411606230 512714838 /nfs/dbraw/zinc/71/48/38/512714838.db2.gz QPIDEKGZICAASE-QWHCGFSZSA-N 0 3 367.421 2.522 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@@H](C)N2CCC(C)CC2)c1F ZINC000411695300 512764038 /nfs/dbraw/zinc/76/40/38/512764038.db2.gz OYJCIJQRLSRZBP-CYBMUJFWSA-N 0 3 367.421 2.522 20 5 FFBDHN COc1ccc(NC(=O)CCN2CCC(c3cn[nH]c3)CC2)c([N+](=O)[O-])c1 ZINC000376485658 512839299 /nfs/dbraw/zinc/83/92/99/512839299.db2.gz RPQGNYRCOPPBDN-UHFFFAOYSA-N 0 3 373.413 2.535 20 5 FFBDHN C[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000376636961 512912237 /nfs/dbraw/zinc/91/22/37/512912237.db2.gz NCJFKCGVOAYZBC-YOEHRIQHSA-N 0 3 366.893 2.706 20 5 FFBDHN NC(=O)c1ccccc1N1CC[C@H](NC/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000370829497 513115083 /nfs/dbraw/zinc/11/50/83/513115083.db2.gz HACJVYJLZCKFKM-YERXGYGTSA-N 0 3 366.421 2.575 20 5 FFBDHN CO[C@@H]1C[C@H](N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000439625661 513153102 /nfs/dbraw/zinc/15/31/02/513153102.db2.gz SFSJMYQFPPUVRU-BIGNPOOSSA-N 0 3 355.822 2.978 20 5 FFBDHN CO[C@@H]1C[C@@H](N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000439625663 513154404 /nfs/dbraw/zinc/15/44/04/513154404.db2.gz SFSJMYQFPPUVRU-OWYVNGRQSA-N 0 3 355.822 2.978 20 5 FFBDHN CC(C)CN1CCCC[C@H]1CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000439693477 513165511 /nfs/dbraw/zinc/16/55/11/513165511.db2.gz SUACFPDALWBNGS-ZDUSSCGKSA-N 0 3 351.451 2.682 20 5 FFBDHN C[C@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000450411862 513183127 /nfs/dbraw/zinc/18/31/27/513183127.db2.gz OGXLDJGAZZZFAD-YJBOKZPZSA-N 0 3 369.469 2.605 20 5 FFBDHN O=C(NC[C@H]1CCCCN1C1CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000433957458 513198951 /nfs/dbraw/zinc/19/89/51/513198951.db2.gz AVCVCZUFTGMHLM-GOSISDBHSA-N 0 3 358.442 2.679 20 5 FFBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450487109 513216650 /nfs/dbraw/zinc/21/66/50/513216650.db2.gz UGYFAKVEBWKTGP-AWEZNQCLSA-N 0 3 371.441 2.583 20 5 FFBDHN CN(C(=O)c1ccc([N+](=O)[O-])n1C)c1ccc(OCCN2CCCC2)cc1 ZINC000434185023 513257031 /nfs/dbraw/zinc/25/70/31/513257031.db2.gz WNKSFWXGANWVIO-UHFFFAOYSA-N 0 3 372.425 2.685 20 5 FFBDHN O=C(NC[C@H]1CCCCN1C1CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000434445805 513324872 /nfs/dbraw/zinc/32/48/72/513324872.db2.gz QELGHFFAGWEHSW-MRXNPFEDSA-N 0 3 358.442 2.916 20 5 FFBDHN CCC1(CC)[C@H](OC)C[C@@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000429299651 513332959 /nfs/dbraw/zinc/33/29/59/513332959.db2.gz ZUHKKCWGIYBDEZ-DLBZAZTESA-N 0 3 361.442 2.667 20 5 FFBDHN CCOc1ccc(OCCN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000440497877 513335683 /nfs/dbraw/zinc/33/56/83/513335683.db2.gz WHLOURURHVPGEX-OAHLLOKOSA-N 0 3 372.425 2.954 20 5 FFBDHN CC(=O)N1CCCN(C[C@H]2CCCN(c3ccc([N+](=O)[O-])c(C)c3)C2)CC1 ZINC000450777151 513336287 /nfs/dbraw/zinc/33/62/87/513336287.db2.gz RWHNXASQKBLYOJ-GOSISDBHSA-N 0 3 374.485 2.674 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000450864451 513373435 /nfs/dbraw/zinc/37/34/35/513373435.db2.gz QZKSDYJZGKSZCO-VHSSKADRSA-N 0 3 359.426 2.779 20 5 FFBDHN CNCc1ccccc1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000415916322 513476619 /nfs/dbraw/zinc/47/66/19/513476619.db2.gz BHMFGPKYAUIRKL-UHFFFAOYSA-N 0 3 356.382 2.609 20 5 FFBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CC[C@H]1N1CCN(C)CC1 ZINC000413211159 513524512 /nfs/dbraw/zinc/52/45/12/513524512.db2.gz HMEPURXIFSMFOW-NVXWUHKLSA-N 0 3 369.469 2.605 20 5 FFBDHN C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441276562 513526932 /nfs/dbraw/zinc/52/69/32/513526932.db2.gz KLSHLTGQLWKRBZ-XHDPSFHLSA-N 0 3 372.347 2.864 20 5 FFBDHN CN(C)CCOCCNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000447668177 513536066 /nfs/dbraw/zinc/53/60/66/513536066.db2.gz GJLIDJGNOXAUEH-UHFFFAOYSA-N 0 3 372.294 2.634 20 5 FFBDHN O=[N+]([O-])c1ccn(CCNC2(c3ccc(OC(F)(F)F)cc3)CC2)n1 ZINC000451146384 513551713 /nfs/dbraw/zinc/55/17/13/513551713.db2.gz LJDSIBDUXPGRPL-UHFFFAOYSA-N 0 3 356.304 2.969 20 5 FFBDHN O=C1CC[C@H](NCc2ccc(Br)cc2[N+](=O)[O-])[C@H](C2CC2)N1 ZINC000425447805 513570945 /nfs/dbraw/zinc/57/09/45/513570945.db2.gz SXDUTAZZOXLMLC-WFASDCNBSA-N 0 3 368.231 2.504 20 5 FFBDHN COc1cc(C(=O)N(C)C(C)(C)CN2CCCC2)cc([N+](=O)[O-])c1OC ZINC000416107633 513573813 /nfs/dbraw/zinc/57/38/13/513573813.db2.gz OWRTVYMAOQNICS-UHFFFAOYSA-N 0 3 365.430 2.558 20 5 FFBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418626921 513581149 /nfs/dbraw/zinc/58/11/49/513581149.db2.gz ADNKAHDKTVBPRF-IBGZPJMESA-N 0 3 368.437 2.666 20 5 FFBDHN CC(C)(C)OC(=O)CC[C@@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000425477456 513587700 /nfs/dbraw/zinc/58/77/00/513587700.db2.gz OCTMZXSUWYWSFP-AWEZNQCLSA-N 0 3 352.435 2.768 20 5 FFBDHN CN(C(=O)[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000430298354 513615710 /nfs/dbraw/zinc/61/57/10/513615710.db2.gz GSHXGFFGRMRXQA-INIZCTEOSA-N 0 3 369.421 2.959 20 5 FFBDHN Cc1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])n(C2CCN(C)CC2)n1 ZINC000430430102 513652340 /nfs/dbraw/zinc/65/23/40/513652340.db2.gz KKWHCTTYWGQYMH-UHFFFAOYSA-N 0 3 357.414 2.548 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)nn2C2CCN(C)CC2)c1 ZINC000430479588 513663637 /nfs/dbraw/zinc/66/36/37/513663637.db2.gz WPLGNKCASYOTDT-UHFFFAOYSA-N 0 3 373.413 2.627 20 5 FFBDHN C[C@H]1CCCN(c2ccc(C(=O)NCC3(N(C)C)CC3)cc2[N+](=O)[O-])C1 ZINC000416288847 513693442 /nfs/dbraw/zinc/69/34/42/513693442.db2.gz ICRGYEAKLXGFLR-AWEZNQCLSA-N 0 3 360.458 2.655 20 5 FFBDHN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCCN(C)C ZINC000416337847 513718754 /nfs/dbraw/zinc/71/87/54/513718754.db2.gz BNOHJWRPNAFMCW-UHFFFAOYSA-N 0 3 359.382 2.796 20 5 FFBDHN COc1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1OCCN(C)C ZINC000416343847 513723672 /nfs/dbraw/zinc/72/36/72/513723672.db2.gz UMFJHJDVNYKJRA-UHFFFAOYSA-N 0 3 359.382 2.796 20 5 FFBDHN CC[C@H](C)[C@H](N)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000442731572 513760626 /nfs/dbraw/zinc/76/06/26/513760626.db2.gz UVEUOEBMZUKONW-ZANVPECISA-N 0 3 362.352 2.515 20 5 FFBDHN CC1(C)[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]2CCCO[C@H]21 ZINC000451479054 513776791 /nfs/dbraw/zinc/77/67/91/513776791.db2.gz LQWZMMAJFMIPTA-HFBAOOFYSA-N 0 3 367.833 2.980 20 5 FFBDHN CCOc1ccc(NC(=O)CN[C@@H]2C[C@](C)(OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451484803 513779228 /nfs/dbraw/zinc/77/92/28/513779228.db2.gz HRPIUQAQLQYNEJ-QAPCUYQASA-N 0 3 365.430 2.725 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C(C)C)[C@H](CO)C(C)C ZINC000451595810 513856720 /nfs/dbraw/zinc/85/67/20/513856720.db2.gz KWGKPEXQNPDGLO-QAPCUYQASA-N 0 3 351.447 2.720 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)C(C)(C)CN2CCCC2)cc1C ZINC000416656382 513891989 /nfs/dbraw/zinc/89/19/89/513891989.db2.gz CAWGZJXMYKGCEP-UHFFFAOYSA-N 0 3 369.487 2.707 20 5 FFBDHN C[C@H]1CN(CCCNc2ncc(Br)cc2[N+](=O)[O-])CCCO1 ZINC000431420227 513894592 /nfs/dbraw/zinc/89/45/92/513894592.db2.gz HBVWELSHPDSNHF-NSHDSACASA-N 0 3 373.251 2.665 20 5 FFBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448780391 513894760 /nfs/dbraw/zinc/89/47/60/513894760.db2.gz JTEABVRVSHWLKH-CABCVRRESA-N 0 3 371.441 2.631 20 5 FFBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448780392 513894884 /nfs/dbraw/zinc/89/48/84/513894884.db2.gz JTEABVRVSHWLKH-GJZGRUSLSA-N 0 3 371.441 2.631 20 5 FFBDHN COc1cnccc1N1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000431428011 513896353 /nfs/dbraw/zinc/89/63/53/513896353.db2.gz BHJJTJQLTZKFIF-UHFFFAOYSA-N 0 3 371.397 2.661 20 5 FFBDHN CCC[C@H](O)[C@@H](CO)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000419809128 513937383 /nfs/dbraw/zinc/93/73/83/513937383.db2.gz GIUCLCWENBYEOX-ZBFHGGJFSA-N 0 3 350.440 2.935 20 5 FFBDHN COc1ccc(CN[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)cc1[N+](=O)[O-] ZINC000431658395 513959449 /nfs/dbraw/zinc/95/94/49/513959449.db2.gz AUOFNHLNSNGCNI-KSSFIOAISA-N 0 3 360.414 2.574 20 5 FFBDHN CCN1CCN(C[C@H](C)CNc2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000443444983 513972607 /nfs/dbraw/zinc/97/26/07/513972607.db2.gz QFGIGPSBYPUVAF-CYBMUJFWSA-N 0 3 372.416 2.882 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C(C)(C)CCC[NH+](C)C)c1C ZINC000451888206 514047769 /nfs/dbraw/zinc/04/77/69/514047769.db2.gz KSSWZKFUSVFWBG-UHFFFAOYSA-N 0 3 357.476 2.610 20 5 FFBDHN COc1cccc(N2C[C@H](N[C@H](C)Cc3ccccc3[N+](=O)[O-])CC2=O)c1 ZINC000449110257 514075435 /nfs/dbraw/zinc/07/54/35/514075435.db2.gz BRRWLFVNNSTCAO-GDBMZVCRSA-N 0 3 369.421 2.930 20 5 FFBDHN COC(=O)[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000452005156 514129163 /nfs/dbraw/zinc/12/91/63/514129163.db2.gz LQKWGCLBVUYQAA-DLBZAZTESA-N 0 3 370.405 2.862 20 5 FFBDHN Cc1ccc(S(=O)(=O)[N-][C@@H](CCC[NH3+])c2ccccc2)c([N+](=O)[O-])c1 ZINC000420469962 514162035 /nfs/dbraw/zinc/16/20/35/514162035.db2.gz WKDICURWQYZMRY-HNNXBMFYSA-N 0 3 363.439 2.662 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000444461225 514235484 /nfs/dbraw/zinc/23/54/84/514235484.db2.gz QHELONMRZJABPE-UHFFFAOYSA-N 0 3 370.409 2.507 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437987923 514283730 /nfs/dbraw/zinc/28/37/30/514283730.db2.gz RMXSVURGFNEJAY-DYVFJYSZSA-N 0 3 358.442 2.752 20 5 FFBDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000452342590 514293543 /nfs/dbraw/zinc/29/35/43/514293543.db2.gz IGHMVVRRMXEAFX-ZDUSSCGKSA-N 0 3 352.410 2.556 20 5 FFBDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000452346626 514297008 /nfs/dbraw/zinc/29/70/08/514297008.db2.gz WDMQODUQPJFZCU-AWEZNQCLSA-N 0 3 363.414 2.564 20 5 FFBDHN CCc1ccccc1[C@H](N)CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000423988284 514323722 /nfs/dbraw/zinc/32/37/22/514323722.db2.gz XHLXCOXLDQCWKX-MRXNPFEDSA-N 0 3 356.426 2.775 20 5 FFBDHN CS(=O)(=O)CCCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000424172088 514407031 /nfs/dbraw/zinc/40/70/31/514407031.db2.gz NHTUCMLJBUBPDX-UHFFFAOYSA-N 0 3 352.412 2.769 20 5 FFBDHN COc1cc(CN(C)C[C@H]2CCCN2C)c([N+](=O)[O-])cc1OC(F)F ZINC000421002741 514432067 /nfs/dbraw/zinc/43/20/67/514432067.db2.gz MPZHKYJFKYRTKG-GFCCVEGCSA-N 0 3 359.373 2.731 20 5 FFBDHN CCN1CCN(c2ccc(Nc3ncc([N+](=O)[O-])c(C)n3)c(C)c2)CC1 ZINC000450218718 514548860 /nfs/dbraw/zinc/54/88/60/514548860.db2.gz ZDUXHCSUHRXKKE-UHFFFAOYSA-N 0 3 356.430 2.887 20 5 FFBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000479567305 514633560 /nfs/dbraw/zinc/63/35/60/514633560.db2.gz UWAMSVOZCSNKEZ-CQSZACIVSA-N 0 3 371.441 2.583 20 5 FFBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000479624161 514660831 /nfs/dbraw/zinc/66/08/31/514660831.db2.gz QTTGTZNDKHWILD-CQSZACIVSA-N 0 3 371.441 2.583 20 5 FFBDHN Cc1cc(NCCN2CCC(C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489160727 514734773 /nfs/dbraw/zinc/73/47/73/514734773.db2.gz GYIYTBRPVRKHCU-UHFFFAOYSA-N 0 3 355.442 2.926 20 5 FFBDHN CCCCN1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000502713329 514750100 /nfs/dbraw/zinc/75/01/00/514750100.db2.gz WFPMSVSATRXKMV-OAHLLOKOSA-N 0 3 369.487 2.836 20 5 FFBDHN O=C(CCN1CCc2ccccc2C1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000471344162 514844562 /nfs/dbraw/zinc/84/45/62/514844562.db2.gz WGZQDJUOBZJNJD-UHFFFAOYSA-N 0 3 365.393 2.858 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC(C)(C)CN1CCCC1 ZINC000480754873 515070954 /nfs/dbraw/zinc/07/09/54/515070954.db2.gz LGSQDKLFICPHTC-UHFFFAOYSA-N 0 3 369.487 2.612 20 5 FFBDHN CN(C)Cc1ccccc1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000485543779 515083226 /nfs/dbraw/zinc/08/32/26/515083226.db2.gz CRCWDXFXHSTBHF-UHFFFAOYSA-N 0 3 363.364 2.794 20 5 FFBDHN C[C@@H](NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000467849782 515145948 /nfs/dbraw/zinc/14/59/48/515145948.db2.gz IRKZSXCAQWFDJD-UZLBHIALSA-N 0 3 355.438 2.882 20 5 FFBDHN Cc1ccc(C)c(S(=O)(=O)[N-][C@H](CC[NH+](C)C)C(C)(C)C)c1[N+](=O)[O-] ZINC000481031679 515179360 /nfs/dbraw/zinc/17/93/60/515179360.db2.gz COEYAKGYRWSLRO-CQSZACIVSA-N 0 3 371.503 2.856 20 5 FFBDHN CC1(C)CN(Cc2ccccc2)CC[C@@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000509528478 515219270 /nfs/dbraw/zinc/21/92/70/515219270.db2.gz QPFZAXDJFCVSPR-HNNXBMFYSA-N 0 3 356.430 2.510 20 5 FFBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000485903447 515249178 /nfs/dbraw/zinc/24/91/78/515249178.db2.gz DXTULWNTUKHQEW-NEPJUHHUSA-N 0 3 355.385 2.652 20 5 FFBDHN Cn1nc2c(c1CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)CCCC2 ZINC000462807086 515254092 /nfs/dbraw/zinc/25/40/92/515254092.db2.gz LNEZNXCIFUHOFK-HOTGVXAUSA-N 0 3 358.446 2.677 20 5 FFBDHN CCN(CC)CCCN(CC)c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000472443929 515272111 /nfs/dbraw/zinc/27/21/11/515272111.db2.gz MONOTBKNIZKUDO-UHFFFAOYSA-N 0 3 357.476 2.557 20 5 FFBDHN Cc1ccc(S(=O)(=O)NCC(C)(C)N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000509793321 515326914 /nfs/dbraw/zinc/32/69/14/515326914.db2.gz HTXYOWCEJMTAPE-CQSZACIVSA-N 0 3 369.487 2.692 20 5 FFBDHN CC(C)(C)CC(C)(C)N1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000456702540 515364987 /nfs/dbraw/zinc/36/49/87/515364987.db2.gz WEUVWEVOYYFGLB-UHFFFAOYSA-N 0 3 363.462 2.545 20 5 FFBDHN CCOc1cc(N2CCN(CC3(COC)CCC3)CC2)ccc1[N+](=O)[O-] ZINC000463217706 515400908 /nfs/dbraw/zinc/40/09/08/515400908.db2.gz FXVIYDBLKKACMN-UHFFFAOYSA-N 0 3 363.458 2.932 20 5 FFBDHN COc1ccccc1[C@@H]1CC[C@@H](C)CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000510258613 515487643 /nfs/dbraw/zinc/48/76/43/515487643.db2.gz ZXOFNIBEKBOKLL-HFTRVMKXSA-N 0 3 374.441 2.634 20 5 FFBDHN COC(=O)CC1(NCCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCC1 ZINC000459387400 515517781 /nfs/dbraw/zinc/51/77/81/515517781.db2.gz JHNBPLQTHPWDAI-UHFFFAOYSA-N 0 3 359.382 2.868 20 5 FFBDHN CN(CC(=O)N1CCN(C2CCCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000482066065 515562503 /nfs/dbraw/zinc/56/25/03/515562503.db2.gz LJRQVGJXZWKZKB-UHFFFAOYSA-N 0 3 360.458 2.508 20 5 FFBDHN CCC[C@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2)CCN1CCOC ZINC000492835971 515568341 /nfs/dbraw/zinc/56/83/41/515568341.db2.gz UJIMFDUCVUHQNR-INIZCTEOSA-N 0 3 351.447 2.536 20 5 FFBDHN Cc1cc(C)c(S(=O)(=O)NCCCN2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000493442882 515633251 /nfs/dbraw/zinc/63/32/51/515633251.db2.gz PTAYUSBRBXGFGD-OAHLLOKOSA-N 0 3 369.487 2.754 20 5 FFBDHN C[C@@H](CCCc1cccnc1)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000459641345 515715199 /nfs/dbraw/zinc/71/51/99/515715199.db2.gz MKYBRLLNBKXSGK-HNNXBMFYSA-N 0 3 356.426 2.954 20 5 FFBDHN C[C@@H]1[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000494045865 515717887 /nfs/dbraw/zinc/71/78/87/515717887.db2.gz CNRPIDYKQMBXLO-BEFAXECRSA-N 0 3 369.421 2.753 20 5 FFBDHN CC1CCN(c2ccc(C(=O)NC(C)(C)CN(C)C)cc2[N+](=O)[O-])CC1 ZINC000457227411 515739127 /nfs/dbraw/zinc/73/91/27/515739127.db2.gz VXWXPFAGEYEKMD-UHFFFAOYSA-N 0 3 362.474 2.901 20 5 FFBDHN CSC1(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCN(C)CC1 ZINC000500515460 515749287 /nfs/dbraw/zinc/74/92/87/515749287.db2.gz GMRVPVWBQSKHBH-UHFFFAOYSA-N 0 3 357.863 2.805 20 5 FFBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)COc1cccc2[nH]ccc21 ZINC000511095867 515778305 /nfs/dbraw/zinc/77/83/05/515778305.db2.gz XVEVWADXYLVDEF-INIZCTEOSA-N 0 3 369.421 2.990 20 5 FFBDHN Cc1ccc(S(=O)(=O)NCC(C)(C)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000511216595 515831520 /nfs/dbraw/zinc/83/15/20/515831520.db2.gz MPDNDDHQPGPPLQ-CYBMUJFWSA-N 0 3 369.487 2.692 20 5 FFBDHN CN(C)CCN(C)c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000474156440 515909287 /nfs/dbraw/zinc/90/92/87/515909287.db2.gz FRXRRHUWHBEVCJ-UHFFFAOYSA-N 0 3 353.220 2.903 20 5 FFBDHN COc1ccc(OCCN[C@H](CO)c2sccc2C)c([N+](=O)[O-])c1 ZINC000494655760 515911934 /nfs/dbraw/zinc/91/19/34/515911934.db2.gz LWJCVFVFSFTCEZ-CYBMUJFWSA-N 0 3 352.412 2.675 20 5 FFBDHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@@H]1CCCCN1C1CC1 ZINC000487611992 515921926 /nfs/dbraw/zinc/92/19/26/515921926.db2.gz WVVUPYVDSDYIOF-LBPRGKRZSA-N 0 3 353.369 2.549 20 5 FFBDHN COc1cc(CN[C@H]2CCN(C3CC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494696289 515930676 /nfs/dbraw/zinc/93/06/76/515930676.db2.gz GPMBCBWWIJXOCD-LBPRGKRZSA-N 0 3 371.384 2.574 20 5 FFBDHN CN(CCN(C)C1CC1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501102727 515981392 /nfs/dbraw/zinc/98/13/92/515981392.db2.gz XWCKXDSNMPFUIC-UHFFFAOYSA-N 0 3 371.235 2.915 20 5 FFBDHN COC(=O)COc1ccc(CNCc2ccc(C)s2)cc1[N+](=O)[O-] ZINC000474380674 516022787 /nfs/dbraw/zinc/02/27/87/516022787.db2.gz TUJHLXPTCQEVPF-UHFFFAOYSA-N 0 3 350.396 2.806 20 5 FFBDHN CN(CCN1CCN(Cc2ccccc2)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000511799989 516036421 /nfs/dbraw/zinc/03/64/21/516036421.db2.gz RWIBMSWMJLTWBV-UHFFFAOYSA-N 0 3 368.481 2.844 20 5 FFBDHN CC1(C)[C@@H](C(F)(F)F)CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000469996611 516069412 /nfs/dbraw/zinc/06/94/12/516069412.db2.gz PBASSNOBLMKARE-JSGCOSHPSA-N 0 3 362.348 2.997 20 5 FFBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(C(=O)N2CCOCC2)CC1 ZINC000470171574 516161315 /nfs/dbraw/zinc/16/13/15/516161315.db2.gz LSXIWZAIXDHDIR-DTQAZKPQSA-N 0 3 373.453 2.569 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCSC[C@@H]3CCO)o2)c1 ZINC000470205167 516172795 /nfs/dbraw/zinc/17/27/95/516172795.db2.gz COFJJLHGFFWQCG-HNNXBMFYSA-N 0 3 363.439 2.592 20 5 FFBDHN CCCN(CCN(CC)CC)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000460918940 516283238 /nfs/dbraw/zinc/28/32/38/516283238.db2.gz VSYVGDQRPFGVHO-UHFFFAOYSA-N 0 3 357.476 2.646 20 5 FFBDHN COc1ccc(CC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000547437929 516336529 /nfs/dbraw/zinc/33/65/29/516336529.db2.gz DQVLNGVJVMXQQO-XOBRGWDASA-N 0 3 371.437 2.954 20 5 FFBDHN COC(=O)c1ccc(CN[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000517783452 516450823 /nfs/dbraw/zinc/45/08/23/516450823.db2.gz QEANNABIXVBODV-ZDUSSCGKSA-N 0 3 371.393 2.888 20 5 FFBDHN CCCN(CCN1CCCCC1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000513121512 516481179 /nfs/dbraw/zinc/48/11/79/516481179.db2.gz FCAYGEHTKQJBQE-UHFFFAOYSA-N 0 3 374.485 2.682 20 5 FFBDHN CCc1ccc([C@@H]2CCCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000513400944 516606610 /nfs/dbraw/zinc/60/66/10/516606610.db2.gz IGAWCINNALTFLK-IEBWSBKVSA-N 0 3 358.442 2.594 20 5 FFBDHN COc1ccc(CC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000536262822 516700483 /nfs/dbraw/zinc/70/04/83/516700483.db2.gz JGHNCNIQONLFBD-OXJNMPFZSA-N 0 3 369.421 2.708 20 5 FFBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000561746994 516746403 /nfs/dbraw/zinc/74/64/03/516746403.db2.gz QTPOWGAQKYPWDL-FRQCXROJSA-N 0 3 374.485 2.976 20 5 FFBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCN3CCCc4ccccc43)C2)nc1 ZINC000536425928 516759693 /nfs/dbraw/zinc/75/96/93/516759693.db2.gz IEZSMBVHIVHXBV-KRWDZBQOSA-N 0 3 367.453 2.929 20 5 FFBDHN CCN1CC[C@@H](N(C)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C ZINC000524617636 516770116 /nfs/dbraw/zinc/77/01/16/516770116.db2.gz BPSSAQRVMOCSSG-LSDHHAIUSA-N 0 3 371.441 2.725 20 5 FFBDHN O=C1C[C@@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CN1C1CC1 ZINC000518781503 516772651 /nfs/dbraw/zinc/77/26/51/516772651.db2.gz KJMMLGOXHXKLMX-LBPRGKRZSA-N 0 3 372.450 2.819 20 5 FFBDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000524716443 516800608 /nfs/dbraw/zinc/80/06/08/516800608.db2.gz LNGZGFYVSYLQMS-KRWDZBQOSA-N 0 3 370.453 2.918 20 5 FFBDHN C[C@@H]1CCCN(CCNc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C1 ZINC000561880200 516811974 /nfs/dbraw/zinc/81/19/74/516811974.db2.gz BLHNBNIXQVVOEZ-CQSZACIVSA-N 0 3 366.437 2.714 20 5 FFBDHN C[C@@H](CCc1ccccc1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544569246 516817054 /nfs/dbraw/zinc/81/70/54/516817054.db2.gz ILGREWMGNCSXFU-HNNXBMFYSA-N 0 3 362.451 2.979 20 5 FFBDHN CN(C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)c1ccc(Cl)cc1 ZINC000555229538 516841150 /nfs/dbraw/zinc/84/11/50/516841150.db2.gz LIPILJPMLLHNSJ-CYBMUJFWSA-N 0 3 350.806 2.619 20 5 FFBDHN CCc1nn(C)c(NCC2(N3CCC(OC)CC3)CCCC2)c1[N+](=O)[O-] ZINC000536704786 516900021 /nfs/dbraw/zinc/90/00/21/516900021.db2.gz HCVSOOGGZUDBDY-UHFFFAOYSA-N 0 3 365.478 2.726 20 5 FFBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN(Cc1ccccn1)C1CC1 ZINC000536783992 516933815 /nfs/dbraw/zinc/93/38/15/516933815.db2.gz LQFHHQFIGSPVNX-UHFFFAOYSA-N 0 3 368.393 2.952 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC2(c3ccccc3)CCOCC2)c1 ZINC000532707967 517107159 /nfs/dbraw/zinc/10/71/59/517107159.db2.gz IAGQPSTZZZYSSZ-SFHVURJKSA-N 0 3 372.421 2.630 20 5 FFBDHN CCOC(=O)[C@@]1(C(C)C)CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000562598198 517223018 /nfs/dbraw/zinc/22/30/18/517223018.db2.gz SNSXHOQSHIKYFO-SFHVURJKSA-N 0 3 350.415 2.885 20 5 FFBDHN O=C(CN[C@H](CO)C1CCCCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000541980092 517319592 /nfs/dbraw/zinc/31/95/92/517319592.db2.gz BUEHTNUNXOIWFH-CQSZACIVSA-N 0 3 355.822 2.718 20 5 FFBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000520254719 517320562 /nfs/dbraw/zinc/32/05/62/517320562.db2.gz LKQODJOSSFNDBG-GASCZTMLSA-N 0 3 364.446 2.536 20 5 FFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N1CCCC1 ZINC000559572296 517321426 /nfs/dbraw/zinc/32/14/26/517321426.db2.gz ATYGEDVOLPMKLK-SNVBAGLBSA-N 0 3 370.247 2.880 20 5 FFBDHN COc1ccc(NC(=O)N[C@H](Cc2ccccc2)CN(C)C)cc1[N+](=O)[O-] ZINC000542036034 517349989 /nfs/dbraw/zinc/34/99/89/517349989.db2.gz FEYLQFSTUGUCOO-MRXNPFEDSA-N 0 3 372.425 2.898 20 5 FFBDHN C[C@H](COc1cccc(F)c1)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000515466837 517363059 /nfs/dbraw/zinc/36/30/59/517363059.db2.gz AAMXDFQBFFHBQG-CJNGLKHVSA-N 0 3 364.373 2.531 20 5 FFBDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000515555759 517404684 /nfs/dbraw/zinc/40/46/84/517404684.db2.gz BMJFCEJAENPIPI-CYBMUJFWSA-N 0 3 357.476 2.610 20 5 FFBDHN CN1CCC[C@@H](CNC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000556565021 517494321 /nfs/dbraw/zinc/49/43/21/517494321.db2.gz XSSYAYKWDJHIJV-RDJZCZTQSA-N 0 3 360.458 2.826 20 5 FFBDHN CN(C)CCN(Cc1ccccc1F)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000516329303 517662550 /nfs/dbraw/zinc/66/25/50/517662550.db2.gz MKRCKUYBPFSLJT-UHFFFAOYSA-N 0 3 359.401 2.867 20 5 FFBDHN O=[N+]([O-])c1ccccc1/C=C\CNC[C@@H](O)CN1CCc2ccccc2C1 ZINC000549907964 517772532 /nfs/dbraw/zinc/77/25/32/517772532.db2.gz SSWLKEYAWBEIRJ-FMSOUQGNSA-N 0 3 367.449 2.617 20 5 FFBDHN CC[C@H](C)N[C@@H](CNc1nc(C(=O)OC)ccc1[N+](=O)[O-])c1ccco1 ZINC000553601482 517803766 /nfs/dbraw/zinc/80/37/66/517803766.db2.gz MZUAVZYHZSLOIM-AAEUAGOBSA-N 0 3 362.386 2.911 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](CO)c1ccccc1C ZINC000542912526 517810624 /nfs/dbraw/zinc/81/06/24/517810624.db2.gz ZRVONHLXICLONA-KRWDZBQOSA-N 0 3 373.409 2.564 20 5 FFBDHN CCOc1ccc([C@@H](C)NCCn2cc([N+](=O)[O-])ccc2=O)cc1OC ZINC000539266289 517972608 /nfs/dbraw/zinc/97/26/08/517972608.db2.gz LLBWYLORWWQORY-CYBMUJFWSA-N 0 3 361.398 2.515 20 5 FFBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000522180998 518020992 /nfs/dbraw/zinc/02/09/92/518020992.db2.gz BMYXTGMVZVJGMN-GOSISDBHSA-N 0 3 368.437 2.561 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1 ZINC000554113722 518065431 /nfs/dbraw/zinc/06/54/31/518065431.db2.gz UZBZMQFNSPGZBU-HBUWYVDXSA-N 0 3 361.442 2.796 20 5 FFBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000522386957 518095376 /nfs/dbraw/zinc/09/53/76/518095376.db2.gz QKRGINYGRBIKTN-OLZOCXBDSA-N 0 3 369.849 2.816 20 5 FFBDHN Cn1nnc2cc(CN3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)ccc21 ZINC000539837976 518170424 /nfs/dbraw/zinc/17/04/24/518170424.db2.gz JTWFCMKCRCHHCD-UHFFFAOYSA-N 0 3 367.409 2.920 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCc2ccccc2[C@@H]1CN ZINC000572483593 518213732 /nfs/dbraw/zinc/21/37/32/518213732.db2.gz GXOFOIARYDCOIW-IBGZPJMESA-N 0 3 368.437 2.790 20 5 FFBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000578551861 518262670 /nfs/dbraw/zinc/26/26/70/518262670.db2.gz ZKVTXCVYXWXPPA-NSHDSACASA-N 0 3 355.385 2.604 20 5 FFBDHN CC(C)Oc1ccccc1CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000581424566 518278484 /nfs/dbraw/zinc/27/84/84/518278484.db2.gz WBLNMRVMEHPVOL-MRXNPFEDSA-N 0 3 360.410 2.912 20 5 FFBDHN CN1CCN(CCN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1(C)C ZINC000564091574 518303677 /nfs/dbraw/zinc/30/36/77/518303677.db2.gz WRSIDBOSJIYDCZ-HNNXBMFYSA-N 0 3 374.407 2.814 20 5 FFBDHN O=c1c2cc([N+](=O)[O-])cc(Cl)c2ncn1CCCN1CCCCC1 ZINC000567048680 518328419 /nfs/dbraw/zinc/32/84/19/518328419.db2.gz NBNPFKFZJLHLMB-UHFFFAOYSA-N 0 3 350.806 2.834 20 5 FFBDHN COc1cc(C(=O)N2CCc3ccccc3[C@@H]2CN)cc([N+](=O)[O-])c1C ZINC000567272295 518440680 /nfs/dbraw/zinc/44/06/80/518440680.db2.gz LAZZXHYOPNRKKF-KRWDZBQOSA-N 0 3 355.394 2.610 20 5 FFBDHN O=[N+]([O-])c1ccc(CN[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000576194428 518472224 /nfs/dbraw/zinc/47/22/24/518472224.db2.gz CLOZVSFDNAZLSQ-QUCCMNQESA-N 0 3 355.438 2.567 20 5 FFBDHN CSC1(CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCN(C)CC1 ZINC000573174968 518538712 /nfs/dbraw/zinc/53/87/12/518538712.db2.gz SDFBYZVZPGLUNP-UHFFFAOYSA-N 0 3 366.487 2.564 20 5 FFBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000576426138 518586622 /nfs/dbraw/zinc/58/66/22/518586622.db2.gz AQGYTXSVRIRHOO-MRXNPFEDSA-N 0 3 370.453 2.668 20 5 FFBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CCN(c2ccnc3ccccc32)CC1 ZINC000564800252 518621971 /nfs/dbraw/zinc/62/19/71/518621971.db2.gz DFZSNKXADFDTJG-UHFFFAOYSA-N 0 3 366.425 2.994 20 5 FFBDHN CN(c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C1CC1)[C@H]1CCN(C2CC2)C1 ZINC000565128458 518801689 /nfs/dbraw/zinc/80/16/89/518801689.db2.gz VWGJFAIJHFGMSY-KRWDZBQOSA-N 0 3 368.441 2.861 20 5 FFBDHN C[C@@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N1[C@H](C)CC[C@@H]1C ZINC000576915293 518823897 /nfs/dbraw/zinc/82/38/97/518823897.db2.gz LWRNHPQRALITKB-MJBXVCDLSA-N 0 3 358.442 2.996 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H]1CCCOc2ccccc21 ZINC000571198629 518974957 /nfs/dbraw/zinc/97/49/57/518974957.db2.gz SMWGTLAFYKAWRG-ZBFHGGJFSA-N 0 3 358.394 2.838 20 5 FFBDHN CCc1ccc(S(=O)(=O)N(C)[C@@H]2CCN(CC)C[C@H]2C)cc1[N+](=O)[O-] ZINC000577389889 519056551 /nfs/dbraw/zinc/05/65/51/519056551.db2.gz BXWSELGHVYGDNJ-CZUORRHYSA-N 0 3 369.487 2.508 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000574243344 519057417 /nfs/dbraw/zinc/05/74/17/519057417.db2.gz DTXRNLDSLRITPY-LSDHHAIUSA-N 0 3 352.460 2.667 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000565778049 519127659 /nfs/dbraw/zinc/12/76/59/519127659.db2.gz NRWMANNDXLCVAH-YOEHRIQHSA-N 0 3 368.437 2.817 20 5 FFBDHN COc1ccc(-c2ccc(CN3CCNC[C@H]3C(F)F)o2)c([N+](=O)[O-])c1 ZINC000583204406 519129271 /nfs/dbraw/zinc/12/92/71/519129271.db2.gz KIPCRQVORKNERH-HNNXBMFYSA-N 0 3 367.352 2.902 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000590014365 519130172 /nfs/dbraw/zinc/13/01/72/519130172.db2.gz BSRIDNIQDJWCMW-YVEFUNNKSA-N 0 3 367.833 2.570 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2CCC[C@@H]2C2CC2)cc1 ZINC000568619404 519132241 /nfs/dbraw/zinc/13/22/41/519132241.db2.gz BPKFQEJHBKKYBR-WMLDXEAASA-N 0 3 352.456 2.784 20 5 FFBDHN C[C@H]1CC(CCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000571515836 519134798 /nfs/dbraw/zinc/13/47/98/519134798.db2.gz AQYVNPUBQIDHGD-KBPBESRZSA-N 0 3 370.471 2.552 20 5 FFBDHN C[C@H]1C[C@H]1N1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000590456712 519238478 /nfs/dbraw/zinc/23/84/78/519238478.db2.gz GLTOGPWGMNMRGS-RLFYNMQTSA-N 0 3 360.458 2.586 20 5 FFBDHN CC[C@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000568857656 519252722 /nfs/dbraw/zinc/25/27/22/519252722.db2.gz KZCWTPYGFJAVNB-NSHDSACASA-N 0 3 368.377 2.937 20 5 FFBDHN CC[C@H](C)N[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1ccco1 ZINC000577889330 519309041 /nfs/dbraw/zinc/30/90/41/519309041.db2.gz ZDSZCHWZYAPOGB-GWCFXTLKSA-N 0 3 364.377 2.768 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000566118337 519312801 /nfs/dbraw/zinc/31/28/01/519312801.db2.gz UPTFSVNORADEMM-IAGOWNOFSA-N 0 3 352.456 2.927 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCc2ccccc2[C@H]1CN ZINC000569246110 519452925 /nfs/dbraw/zinc/45/29/25/519452925.db2.gz UUXHTTQCNSRXCB-LJQANCHMSA-N 0 3 368.437 2.790 20 5 FFBDHN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1-n1ccnn1 ZINC000581087783 519516801 /nfs/dbraw/zinc/51/68/01/519516801.db2.gz XRCOZLZRDGYQBT-CQSZACIVSA-N 0 3 353.382 2.905 20 5 FFBDHN O=[N+]([O-])c1ccccc1CN(CCc1cnccn1)[C@H]1CC[C@H](O)CC1 ZINC000602852121 519924294 /nfs/dbraw/zinc/92/42/94/519924294.db2.gz CMFKDNSCTLEGJR-IYARVYRRSA-N 0 3 356.426 2.733 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(c2ccc3cccnc3n2)CC1 ZINC000602873533 519940761 /nfs/dbraw/zinc/94/07/61/519940761.db2.gz KQAPMWIUSAPMFZ-UHFFFAOYSA-N 0 3 366.425 2.923 20 5 FFBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCNC2(CCCCC2)C1 ZINC000594628871 520061514 /nfs/dbraw/zinc/06/15/14/520061514.db2.gz MQTVEXNGUWOEES-UHFFFAOYSA-N 0 3 356.426 2.684 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CNc1ccc([C@@H]3CNCCO3)cc1)OCCO2 ZINC000594738274 520125157 /nfs/dbraw/zinc/12/51/57/520125157.db2.gz CMGATETUVILTLZ-IBGZPJMESA-N 0 3 371.393 2.639 20 5 FFBDHN CC[C@@H]1CN(C)CCCN1C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000597606071 520132467 /nfs/dbraw/zinc/13/24/67/520132467.db2.gz UGJOWSRXPGSRPW-GXTWGEPZSA-N 0 3 369.849 2.958 20 5 FFBDHN CCOc1cc(N2CCN(CCC[C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000592120890 520197922 /nfs/dbraw/zinc/19/79/22/520197922.db2.gz IOQUMEPSTGMRIY-MRXNPFEDSA-N 0 3 363.458 2.932 20 5 FFBDHN C[C@]1(Cc2ccccc2F)CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000592143988 520221787 /nfs/dbraw/zinc/22/17/87/520221787.db2.gz WJGGJAHANKUNMU-LJQANCHMSA-N 0 3 359.401 2.993 20 5 FFBDHN O=C(NCc1ccccc1)[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000592155205 520231539 /nfs/dbraw/zinc/23/15/39/520231539.db2.gz MSZVLKUBBIJBGZ-KRWDZBQOSA-N 0 3 369.421 2.612 20 5 FFBDHN CN1CCN(Cc2ccccc2)[C@H](CNCc2cccc([N+](=O)[O-])c2)C1 ZINC000594995028 520248343 /nfs/dbraw/zinc/24/83/43/520248343.db2.gz NBKVUGYDWYGVDZ-HXUWFJFHSA-N 0 3 354.454 2.501 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC1CCC(CS(C)(=O)=O)CC1 ZINC000595042117 520266652 /nfs/dbraw/zinc/26/66/52/520266652.db2.gz PEBKIMLARRHZQD-HSBZDZAISA-N 0 3 370.471 2.857 20 5 FFBDHN CN(C)C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000600469386 520279646 /nfs/dbraw/zinc/27/96/46/520279646.db2.gz AKVHSJGNXWSACE-LLVKDONJSA-N 0 3 372.212 2.657 20 5 FFBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000609346923 520289475 /nfs/dbraw/zinc/28/94/75/520289475.db2.gz WBHBNMZSCYGXGT-HUUCEWRRSA-N 0 3 371.441 2.773 20 5 FFBDHN CCN(C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000597944075 520342903 /nfs/dbraw/zinc/34/29/03/520342903.db2.gz BXIXLWMPDLXIKQ-WBVHZDCISA-N 0 3 374.485 2.997 20 5 FFBDHN NC(=O)c1ccccc1N1CC[C@H](NC/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000609561738 520358253 /nfs/dbraw/zinc/35/82/53/520358253.db2.gz HACJVYJLZCKFKM-WRLNGNIRSA-N 0 3 366.421 2.575 20 5 FFBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CC3CC3)C2)nc1OCc1ccccc1 ZINC000613179954 520371926 /nfs/dbraw/zinc/37/19/26/520371926.db2.gz BXMLANCJUOXPTF-QGZVFWFLSA-N 0 3 368.437 2.887 20 5 FFBDHN COc1ccc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)cc1[N+](=O)[O-] ZINC000595258297 520376296 /nfs/dbraw/zinc/37/62/96/520376296.db2.gz TXRPHQHJVBYQCV-KRWDZBQOSA-N 0 3 357.366 2.517 20 5 FFBDHN O=[N+]([O-])c1ncccc1NCCCN1CCN(Cc2ccccc2)CC1 ZINC000603852390 520377987 /nfs/dbraw/zinc/37/79/87/520377987.db2.gz WSGJXKIIEUJNAA-UHFFFAOYSA-N 0 3 355.442 2.610 20 5 FFBDHN CC(C)(C)OC(=O)C1CCC(O)(CNCc2cccc([N+](=O)[O-])c2)CC1 ZINC000600720637 520423030 /nfs/dbraw/zinc/42/30/30/520423030.db2.gz ILIIQEWRPPVHKC-UHFFFAOYSA-N 0 3 364.442 2.947 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](CO)[C@H](C)c1ccccc1 ZINC000613389711 520479088 /nfs/dbraw/zinc/47/90/88/520479088.db2.gz KUKDYLWBHFPWIJ-RDTXWAMCSA-N 0 3 357.410 2.596 20 5 FFBDHN C[C@H](N[C@@H](CO)[C@@H](C)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000613390189 520481095 /nfs/dbraw/zinc/48/10/95/520481095.db2.gz ZNSCEDMOZMZUJD-DEYYWGMASA-N 0 3 357.410 2.676 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CCCN(C[C@@H]2CCCO2)CC1 ZINC000610476246 520704564 /nfs/dbraw/zinc/70/45/64/520704564.db2.gz MZTJGLVFRZVSKW-SFHVURJKSA-N 0 3 363.458 2.680 20 5 FFBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000610478188 520707258 /nfs/dbraw/zinc/70/72/58/520707258.db2.gz PRMLDZWBPNMHEB-UHFFFAOYSA-N 0 3 374.445 2.795 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000595772415 520713231 /nfs/dbraw/zinc/71/32/31/520713231.db2.gz SNXZNQLEWZDMSO-QAPCUYQASA-N 0 3 371.441 2.576 20 5 FFBDHN COC(=O)c1ccnc(N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000598589923 520729609 /nfs/dbraw/zinc/72/96/09/520729609.db2.gz VQQZAWLRSGNCNR-JHJVBQTASA-N 0 3 350.419 2.555 20 5 FFBDHN Cc1cc(S(=O)(=O)N2CCCC[C@@H](N3CCCC3)C2)c([N+](=O)[O-])s1 ZINC000601340626 520748661 /nfs/dbraw/zinc/74/86/61/520748661.db2.gz RYTBMHXUYGACMV-CYBMUJFWSA-N 0 3 373.500 2.604 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)c1 ZINC000610761803 520833671 /nfs/dbraw/zinc/83/36/71/520833671.db2.gz DAHKIJFIAZVFLV-AWEZNQCLSA-N 0 3 355.394 2.873 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](OCCN3CCCCC3)C2)c1 ZINC000610886922 520893987 /nfs/dbraw/zinc/89/39/87/520893987.db2.gz HZWJUOWDZRAUPQ-MRXNPFEDSA-N 0 3 361.442 2.620 20 5 FFBDHN Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1[n-]nc(C(C)C)c1[N+](=O)[O-] ZINC000610920992 520905800 /nfs/dbraw/zinc/90/58/00/520905800.db2.gz KHIFYBCAPBFQSF-UHFFFAOYSA-N 0 3 368.397 2.865 20 5 FFBDHN COC(=O)c1c(Cl)c(N2CC[C@@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000596104654 520915017 /nfs/dbraw/zinc/91/50/17/520915017.db2.gz KLDRSRFQEWELHE-LLVKDONJSA-N 0 3 353.806 2.709 20 5 FFBDHN Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)N2CCCC2)o1 ZINC000596109799 520918377 /nfs/dbraw/zinc/91/83/77/520918377.db2.gz KEQUZDGFNGOMGB-INIZCTEOSA-N 0 3 358.398 2.844 20 5 FFBDHN C[C@]1(NC(=O)COc2ccc([N+](=O)[O-])cc2)CCN(Cc2ccccc2)C1 ZINC000593342469 520924116 /nfs/dbraw/zinc/92/41/16/520924116.db2.gz PJBOFHMWKGCYMT-FQEVSTJZSA-N 0 3 369.421 2.754 20 5 FFBDHN CC(C)(C)OC(=O)c1ccc(CNCCn2cc([N+](=O)[O-])cn2)s1 ZINC000598967825 520949241 /nfs/dbraw/zinc/94/92/41/520949241.db2.gz NRECBJOZXYVLRL-UHFFFAOYSA-N 0 3 352.416 2.598 20 5 FFBDHN CC(C)N1CCC(NC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000598973261 520951994 /nfs/dbraw/zinc/95/19/94/520951994.db2.gz BPSJJOSGIXAZGB-UHFFFAOYSA-N 0 3 370.247 2.960 20 5 FFBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCN1C1CCCCC1 ZINC000598975446 520954096 /nfs/dbraw/zinc/95/40/96/520954096.db2.gz ILGUCCZAGAGZNC-GOSISDBHSA-N 0 3 360.458 2.844 20 5 FFBDHN Cc1cc(N2CCC(N3CCN(C(C)C)CC3)CC2)c([N+](=O)[O-])s1 ZINC000596178890 520954097 /nfs/dbraw/zinc/95/40/97/520954097.db2.gz MJOGHCVYYFZGJB-UHFFFAOYSA-N 0 3 352.504 2.960 20 5 FFBDHN CN(c1ccccc1)c1ccc(CNC[C@H](O)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000598986435 520960788 /nfs/dbraw/zinc/96/07/88/520960788.db2.gz ABWCXUJRIJWUFC-PMACEKPBSA-N 0 3 371.437 2.992 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1CNc1ccc(C(=O)NCCN(C)C)cc1 ZINC000598990579 520963763 /nfs/dbraw/zinc/96/37/63/520963763.db2.gz CCXUJCVMMXSAMP-UHFFFAOYSA-N 0 3 356.426 2.807 20 5 FFBDHN Cc1cc(N2CC(CN3CCN(C)CC3)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000599109160 521035678 /nfs/dbraw/zinc/03/56/78/521035678.db2.gz QCYZVDKOBYAXGN-UHFFFAOYSA-N 0 3 372.391 2.606 20 5 FFBDHN COc1cccc([N+](=O)[O-])c1NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000596424576 521065329 /nfs/dbraw/zinc/06/53/29/521065329.db2.gz SJRVMQXYIWWAMZ-MRXNPFEDSA-N 0 3 357.410 2.782 20 5 FFBDHN CC(C)c1ccc(CN2CCN([C@H]3CCCN(C)C3)CC2)cc1[N+](=O)[O-] ZINC000611270999 521071547 /nfs/dbraw/zinc/07/15/47/521071547.db2.gz YYBHFCAGPFLOJH-SFHVURJKSA-N 0 3 360.502 2.930 20 5 FFBDHN Cn1nc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c2ccccc21 ZINC000618575540 521131856 /nfs/dbraw/zinc/13/18/56/521131856.db2.gz PDTGOBHFXKVBNO-WMLDXEAASA-N 0 3 354.414 2.952 20 5 FFBDHN CN(CCN1CCCCC1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000593882802 521270310 /nfs/dbraw/zinc/27/03/10/521270310.db2.gz MCQSYKZGTFHELZ-UHFFFAOYSA-N 0 3 351.422 2.956 20 5 FFBDHN CN(C)CCOc1ccc(CNc2ncnc3ccc([N+](=O)[O-])cc32)cc1 ZINC000611700191 521287270 /nfs/dbraw/zinc/28/72/70/521287270.db2.gz FEUPNNCPSWLNPG-UHFFFAOYSA-N 0 3 367.409 2.512 20 5 FFBDHN O=[N+]([O-])c1ccc2ncnc(NCCCN3CCc4ccccc4C3)c2c1 ZINC000611703605 521289237 /nfs/dbraw/zinc/28/92/37/521289237.db2.gz VWWWQRRXNCHYBD-UHFFFAOYSA-N 0 3 363.421 2.820 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])CCN1C ZINC000599576162 521308682 /nfs/dbraw/zinc/30/86/82/521308682.db2.gz KFDHMAMJDJGIBN-NXEZZACHSA-N 0 3 356.220 2.570 20 5 FFBDHN CC1(C)[C@@H](c2cccc(F)c2)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599629782 521343467 /nfs/dbraw/zinc/34/34/67/521343467.db2.gz MHPFWEWUHGKZAV-IAGOWNOFSA-N 0 3 362.405 2.559 20 5 FFBDHN CCC(C)(C)N1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000594020311 521354872 /nfs/dbraw/zinc/35/48/72/521354872.db2.gz HEWFTYCTWDCBDM-UHFFFAOYSA-N 0 3 351.447 2.788 20 5 FFBDHN CCC(C)(C)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000594095310 521399792 /nfs/dbraw/zinc/39/97/92/521399792.db2.gz VINLPNCXGCLVMP-UHFFFAOYSA-N 0 3 350.419 2.942 20 5 FFBDHN CC(=O)N1CCC(CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602538880 521401263 /nfs/dbraw/zinc/40/12/63/521401263.db2.gz ZQFNFEJVDCLOMP-UHFFFAOYSA-N 0 3 359.348 2.962 20 5 FFBDHN COC1CCN(C(C)(C)CNCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602548137 521406666 /nfs/dbraw/zinc/40/66/66/521406666.db2.gz QCWORAUBVGIXCO-UHFFFAOYSA-N 0 3 362.430 2.715 20 5 FFBDHN CN(Cc1ccccc1)C[C@@H](O)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000612031649 521447085 /nfs/dbraw/zinc/44/70/85/521447085.db2.gz OOCPLDIECPXBIX-GOSISDBHSA-N 0 3 366.421 2.951 20 5 FFBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594204716 521469596 /nfs/dbraw/zinc/46/95/96/521469596.db2.gz XOKHXFBGRJYQLV-FUHWJXTLSA-N 0 3 369.425 2.527 20 5 FFBDHN Nc1c(NC(=O)N2CC[C@H](N3CCCCC3)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597091639 521497830 /nfs/dbraw/zinc/49/78/30/521497830.db2.gz AWCNSTYSFNXMFT-LBPRGKRZSA-N 0 3 367.837 2.923 20 5 FFBDHN CC[C@H](CN1CCCC1)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597105239 521509092 /nfs/dbraw/zinc/50/90/92/521509092.db2.gz XQCSRDCYONOJOJ-LLVKDONJSA-N 0 3 355.826 2.826 20 5 FFBDHN CN(Cc1cc(Br)c([N+](=O)[O-])s1)[C@@H]1CN2CCC1CC2 ZINC000602752920 521516730 /nfs/dbraw/zinc/51/67/30/521516730.db2.gz XESRTVAEEQFRLP-GFCCVEGCSA-N 0 3 360.277 2.945 20 5 FFBDHN COc1ccc2c(c1)CC[C@H]([NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-])C2 ZINC000612194047 521525107 /nfs/dbraw/zinc/52/51/07/521525107.db2.gz PXEZIABPQPDTTG-HNNXBMFYSA-N 0 3 358.394 2.965 20 5 FFBDHN CC(C)N1CCCC[C@H]1CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000619863436 521909000 /nfs/dbraw/zinc/90/90/00/521909000.db2.gz FUDKKTIACPVLER-LPHOPBHVSA-N 0 3 374.441 2.625 20 5 FFBDHN C[C@@H](CN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485396629 561318387 /nfs/dbraw/zinc/31/83/87/561318387.db2.gz XMROFSWLRPXXMK-AWEZNQCLSA-N 0 3 373.432 2.844 20 5 FFBDHN CN1CCN(CCCNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485403099 561318494 /nfs/dbraw/zinc/31/84/94/561318494.db2.gz JEEWPUFMZMJKNG-UHFFFAOYSA-N 0 3 373.432 2.845 20 5 FFBDHN CCN1CCN(C[C@@H](C)CNc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000473517944 561051763 /nfs/dbraw/zinc/05/17/63/561051763.db2.gz CIFKNWHXESOXLR-HNNXBMFYSA-N 0 3 357.458 2.829 20 5 FFBDHN C[C@@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000736027063 598676051 /nfs/dbraw/zinc/67/60/51/598676051.db2.gz WNHUJVOSJQGDBX-ZDUSSCGKSA-N 0 3 367.413 2.707 20 5 FFBDHN C[C@@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000736027063 598676052 /nfs/dbraw/zinc/67/60/52/598676052.db2.gz WNHUJVOSJQGDBX-ZDUSSCGKSA-N 0 3 367.413 2.707 20 5 FFBDHN O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000823634172 606222519 /nfs/dbraw/zinc/22/25/19/606222519.db2.gz BRGKXDNDXHHFAY-UHFFFAOYSA-N 0 3 358.427 2.949 20 5 FFBDHN O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000823634172 606222520 /nfs/dbraw/zinc/22/25/20/606222520.db2.gz BRGKXDNDXHHFAY-UHFFFAOYSA-N 0 3 358.427 2.949 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000826497570 609345745 /nfs/dbraw/zinc/34/57/45/609345745.db2.gz MAENCTRKEHXDIU-UHFFFAOYSA-N 0 3 358.789 2.761 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000826497570 609345746 /nfs/dbraw/zinc/34/57/46/609345746.db2.gz MAENCTRKEHXDIU-UHFFFAOYSA-N 0 3 358.789 2.761 20 5 FFBDHN CCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000861894737 730651402 /nfs/dbraw/zinc/65/14/02/730651402.db2.gz JEADTXZXVFXNRR-LBPRGKRZSA-N 0 3 369.849 2.958 20 5 FFBDHN CCNC(=O)N1CC[C@H](N[C@@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000872047414 731724040 /nfs/dbraw/zinc/72/40/40/731724040.db2.gz BNDKTCBEVRLRPZ-RYUDHWBXSA-N 0 3 352.460 2.771 20 5 FFBDHN O=[N+]([O-])c1cnn(C2CC(NCc3cccc4c3OC(F)(F)O4)C2)c1 ZINC000877639429 732403518 /nfs/dbraw/zinc/40/35/18/732403518.db2.gz JPTKXEOHXHKORM-UHFFFAOYSA-N 0 3 352.297 2.606 20 5 FFBDHN C[C@@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000894081740 734797914 /nfs/dbraw/zinc/79/79/14/734797914.db2.gz BGTYOZVNGPYKQT-KOLCDFICSA-N 0 3 366.361 2.526 20 5 FFBDHN C[C@H](CNCCS(=O)(=O)c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000905643233 736374858 /nfs/dbraw/zinc/37/48/58/736374858.db2.gz KOABGDIYJZHLIZ-CYBMUJFWSA-N 0 3 366.414 2.901 20 5 FFBDHN CCN1CCCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910285417 737053070 /nfs/dbraw/zinc/05/30/70/737053070.db2.gz YSZVSSPAUNPWOV-LLVKDONJSA-N 0 3 357.357 2.753 20 5 FFBDHN CCOc1ccc([C@@H](C)N[C@H]2CCCN(C(=O)OC)C2)cc1[N+](=O)[O-] ZINC000768100923 737397805 /nfs/dbraw/zinc/39/78/05/737397805.db2.gz GCCFGXFNHAXKBF-OCCSQVGLSA-N 0 3 351.403 2.875 20 5 FFBDHN CSCc1ccc(CN[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000921747758 738036578 /nfs/dbraw/zinc/03/65/78/738036578.db2.gz ZIHGGHOOKVFLOI-QZTJIDSGSA-N 0 3 362.451 2.642 20 5 FFBDHN COc1cc(C[NH2+]CC[C@H]2CC[C@H](C(F)(F)F)O2)c([N+](=O)[O-])cc1[O-] ZINC000922679360 738183629 /nfs/dbraw/zinc/18/36/29/738183629.db2.gz QGEDTSSBXIVPFD-QMTHXVAHSA-N 0 3 364.320 2.899 20 5 FFBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000923276694 738265247 /nfs/dbraw/zinc/26/52/47/738265247.db2.gz HIPXVVFFZZURRI-QWHCGFSZSA-N 0 3 368.231 2.666 20 5 FFBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000923284678 738266476 /nfs/dbraw/zinc/26/64/76/738266476.db2.gz RKLVPWMACUJEKE-CMPLNLGQSA-N 0 3 368.231 2.666 20 5 FFBDHN CN(C(=O)CCc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CN2CCC1CC2 ZINC000932538884 739466655 /nfs/dbraw/zinc/46/66/55/739466655.db2.gz KRCZFEUXOZTIEE-MRXNPFEDSA-N 0 3 351.834 2.733 20 5 FFBDHN COc1ccc(Br)c2[nH]c(C(=O)OCC(C)[N+](=O)[O-])cc21 ZINC000813101788 741677035 /nfs/dbraw/zinc/67/70/35/741677035.db2.gz ITNSNWBDJVNEIO-SSDOTTSWSA-N 0 3 357.160 2.761 20 5 FFBDHN COCC[C@H](Cc1cccc(Br)c1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813105786 741677235 /nfs/dbraw/zinc/67/72/35/741677235.db2.gz UNUYDPSHOPCENL-DGCLKSJQSA-N 0 3 374.231 2.853 20 5 FFBDHN CC(COC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1)[N+](=O)[O-] ZINC000813106453 741677560 /nfs/dbraw/zinc/67/75/60/741677560.db2.gz CKISERXSDYKJBD-JSGCOSHPSA-N 0 3 352.387 2.851 20 5 FFBDHN Cc1ccc(-n2nc(Br)cc2C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813113159 741678551 /nfs/dbraw/zinc/67/85/51/741678551.db2.gz OAWOKDNZOSKRSE-SNVBAGLBSA-N 0 3 368.187 2.765 20 5 FFBDHN CC(COC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)[N+](=O)[O-] ZINC000813114947 741678936 /nfs/dbraw/zinc/67/89/36/741678936.db2.gz YFWDCERWADNWKW-VIFPVBQESA-N 0 3 360.288 2.654 20 5 FFBDHN CN(C)CCN(Cc1ccsc1)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823927427 743001781 /nfs/dbraw/zinc/00/17/81/743001781.db2.gz XGUYHVFFYVVWST-UHFFFAOYSA-N 0 3 363.443 2.834 20 5 FFBDHN CC(C)N1CCCC[C@@H]1COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000837436459 746445385 /nfs/dbraw/zinc/44/53/85/746445385.db2.gz BEFKYOSOKPPSMY-CYBMUJFWSA-N 0 3 351.359 2.923 20 5 FFBDHN COc1cc(Br)c(Cl)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000842801076 747692694 /nfs/dbraw/zinc/69/26/94/747692694.db2.gz ARVWRMQUEUAQET-ZCFIWIBFSA-N 0 3 352.568 2.933 20 5 FFBDHN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848768313 749003558 /nfs/dbraw/zinc/00/35/58/749003558.db2.gz XXSRFKQEFDZTCV-DTWKUNHWSA-N 0 3 365.739 2.522 20 5 FFBDHN CN(C)c1cc(F)c(C(=O)N2CCCN(C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000825624449 1013257735 /nfs/dbraw/zinc/25/77/35/1013257735.db2.gz MOUDSUDXLCRDTJ-UHFFFAOYSA-N 0 3 366.437 2.746 20 5 FFBDHN C[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cnn(CC2CCC2)c1 ZINC001176849388 1013794996 /nfs/dbraw/zinc/79/49/96/1013794996.db2.gz MYPZOLWZGSFRJA-RHSMWYFYSA-N 0 3 374.441 2.682 20 5 FFBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000065931783 969161616 /nfs/dbraw/zinc/16/16/16/969161616.db2.gz DFLCDVDJJGDMEX-UHFFFAOYSA-N 0 3 360.389 2.520 20 5 FFBDHN C[C@@H](CNC(=O)N1CCN(C2CC2)C[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000897064523 973215679 /nfs/dbraw/zinc/21/56/79/973215679.db2.gz YZWKKIVIQPHWLT-CABCVRRESA-N 0 3 360.458 2.824 20 5 FFBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC000899199339 977009988 /nfs/dbraw/zinc/00/99/88/977009988.db2.gz HDNQCHXQMVLBMW-HOTGVXAUSA-N 0 3 354.410 2.639 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC([C@H](O)c2nccn2C)CC1 ZINC000876741888 1014372839 /nfs/dbraw/zinc/37/28/39/1014372839.db2.gz LRMRKTMSZDQLLX-SFHVURJKSA-N 0 3 358.442 2.891 20 5 FFBDHN COCCN1CCC(Oc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC001229146591 981167349 /nfs/dbraw/zinc/16/73/49/981167349.db2.gz VKPIFKDZEDXTIE-UHFFFAOYSA-N 0 3 359.220 2.847 20 5 FFBDHN CC(COC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)[N+](=O)[O-] ZINC000813110565 995625135 /nfs/dbraw/zinc/62/51/35/995625135.db2.gz DOBIJOYZGWHFJC-PBHICJAKSA-N 0 3 356.378 2.756 20 5 FFBDHN CC(COC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1)[N+](=O)[O-] ZINC000813113082 995625427 /nfs/dbraw/zinc/62/54/27/995625427.db2.gz ALOHYEJUGCJKLP-GFCCVEGCSA-N 0 3 358.329 2.624 20 5 FFBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825389874 997333537 /nfs/dbraw/zinc/33/35/37/997333537.db2.gz VZPUTLMCUBYERC-DKSSEZFCSA-N 0 3 369.421 2.580 20 5 FFBDHN CC([C@@H](OC(=O)CN1CCCCCCC1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845878818 998677827 /nfs/dbraw/zinc/67/78/27/998677827.db2.gz WDBBREWUESUFMX-SCLBCKFNSA-N 0 3 366.389 2.868 20 5 FFBDHN COC(=O)c1ccc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])n1C ZINC000845883015 998678577 /nfs/dbraw/zinc/67/85/77/998678577.db2.gz QWEXRIWZRVDYGY-BMIGLBTASA-N 0 3 364.329 2.514 20 5 FFBDHN O=C(Nc1ccccn1)[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000742588506 999779093 /nfs/dbraw/zinc/77/90/93/999779093.db2.gz PPOZAZQRAPQUFC-OAHLLOKOSA-N 0 3 370.409 2.719 20 5 FFBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)C1 ZINC001169025140 1000018072 /nfs/dbraw/zinc/01/80/72/1000018072.db2.gz XUGAKPVNMMPPLI-ZWJWXYIHSA-N 0 3 352.475 2.870 20 5 FFBDHN CC(=O)Nc1cc(-n2ccc([C@H](C)N)n2)c([N+](=O)[O-])cc1Br ZINC001169235558 1000031367 /nfs/dbraw/zinc/03/13/67/1000031367.db2.gz XEQLGAUYMIQDRA-ZETCQYMHSA-N 0 3 368.191 2.521 20 5 FFBDHN Cc1nccn1CCCN(C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000746628466 1001655781 /nfs/dbraw/zinc/65/57/81/1001655781.db2.gz VHWVDKRGMODDPO-UHFFFAOYSA-N 0 3 354.414 2.943 20 5 FFBDHN Cn1cc(-c2cc(CNc3cc4c(cc3[N+](=O)[O-])CNC4)ccn2)cn1 ZINC001170128570 1002290829 /nfs/dbraw/zinc/29/08/29/1002290829.db2.gz NUSMUSXWHDCHLE-UHFFFAOYSA-N 0 3 350.382 2.606 20 5 FFBDHN Cc1c(C(=O)NC[C@@H]2N(C)CCCC2(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000791060779 1002566203 /nfs/dbraw/zinc/56/62/03/1002566203.db2.gz MTJXKMFKLVGGNM-HNNXBMFYSA-N 0 3 364.402 2.662 20 5 FFBDHN COC(=O)c1ccc(CN[C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])nc1 ZINC001170318694 1003108735 /nfs/dbraw/zinc/10/87/35/1003108735.db2.gz RUKWZIOILUAASR-GFCCVEGCSA-N 0 3 359.382 2.506 20 5 FFBDHN COc1ccc(C[C@H](C)NCc2cc(OCC3CC3)ncn2)c([N+](=O)[O-])c1 ZINC001170322447 1003110688 /nfs/dbraw/zinc/11/06/88/1003110688.db2.gz GYOJUUNKYUAFAN-ZDUSSCGKSA-N 0 3 372.425 2.903 20 5 FFBDHN COC(=O)c1ccnc(CN[C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001170308643 1003119706 /nfs/dbraw/zinc/11/97/06/1003119706.db2.gz NKKFWLGPEWOIOY-GFCCVEGCSA-N 0 3 359.382 2.506 20 5 FFBDHN COc1ccc(C[C@H](C)N2CCC[C@]3(CCCC(=O)N3)C2)c([N+](=O)[O-])c1 ZINC001170341083 1003129680 /nfs/dbraw/zinc/12/96/80/1003129680.db2.gz NEEDQVBKEIKCFU-IFXJQAMLSA-N 0 3 361.442 2.669 20 5 FFBDHN O=C(O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CCN(C2CC2)CC1 ZINC000805897701 1004173148 /nfs/dbraw/zinc/17/31/48/1004173148.db2.gz VSWPOFXPSZFJQX-HOTGVXAUSA-N 0 3 362.430 2.693 20 5 FFBDHN C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CCN1Cc1ccccc1 ZINC000813824386 1006046144 /nfs/dbraw/zinc/04/61/44/1006046144.db2.gz YCAFVTAHLDVJSP-SJKOYZFVSA-N 0 3 372.400 2.709 20 5 FFBDHN CC1(C)CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC001134811375 1006487613 /nfs/dbraw/zinc/48/76/13/1006487613.db2.gz VHVAMZFJAGONST-UHFFFAOYSA-N 0 3 370.247 2.819 20 5 FFBDHN Cc1cc(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)c(N)c([N+](=O)[O-])c1 ZINC000111631323 1006545245 /nfs/dbraw/zinc/54/52/45/1006545245.db2.gz BQHBKYRPYICCOK-CQSZACIVSA-N 0 3 356.426 2.736 20 5 FFBDHN CC(C)c1ccc(C(=O)NC[C@@H]2CCN2C2CCOCC2)cc1[N+](=O)[O-] ZINC000885882247 1007819085 /nfs/dbraw/zinc/81/90/85/1007819085.db2.gz GKJYTANMRNAWKJ-INIZCTEOSA-N 0 3 361.442 2.701 20 5 FFBDHN CCCNC(=O)c1cccc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000818960044 1007978432 /nfs/dbraw/zinc/97/84/32/1007978432.db2.gz ADUKEAKIDURKDR-GOSISDBHSA-N 0 3 357.410 2.558 20 5 FFBDHN CCN1CCN(c2ccc(NC[C@@H](O)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000819395368 1008113983 /nfs/dbraw/zinc/11/39/83/1008113983.db2.gz KDFKNWKHLXPKJC-HXUWFJFHSA-N 0 3 370.453 2.882 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@H]3COC4(CCOCC4)O3)o2)c1 ZINC001178317251 1008953095 /nfs/dbraw/zinc/95/30/95/1008953095.db2.gz GFFXXBYHNZPBFO-KRWDZBQOSA-N 0 3 374.393 2.867 20 5 FFBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823938774 1009287333 /nfs/dbraw/zinc/28/73/33/1009287333.db2.gz NSEVPMYSAPNSBL-CYBMUJFWSA-N 0 3 357.414 2.819 20 5 FFBDHN CN(CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H]1CCC(C)(C)C1 ZINC000794683252 1010469770 /nfs/dbraw/zinc/46/97/70/1010469770.db2.gz CQYDBBZIQYTKJW-OAHLLOKOSA-N 0 3 360.414 2.831 20 5 FFBDHN C[C@H](NCc1ccc(CN2CCNC2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000866573728 1011018670 /nfs/dbraw/zinc/01/86/70/1011018670.db2.gz LZKQTDJXLXDBIM-AWEZNQCLSA-N 0 3 354.410 2.971 20 5 FFBDHN COc1ccccc1COC[C@@H](O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932181623 1020734464 /nfs/dbraw/zinc/73/44/64/1020734464.db2.gz XQNBBSRPIMWPTI-KDOFPFPSSA-N 0 3 360.410 2.832 20 5 FFBDHN O=[N+]([O-])c1cc(O[C@H]2CNCCC2(F)F)c(Br)cc1F ZINC001218448932 1033161763 /nfs/dbraw/zinc/16/17/63/1033161763.db2.gz SBLITMUFUYCXIK-JTQLQIEISA-N 0 3 355.110 2.872 20 5 FFBDHN CCN1CCN(c2ccc(NC(=O)c3c(N)cccc3[N+](=O)[O-])cc2)CC1 ZINC000779489568 1023939835 /nfs/dbraw/zinc/93/98/35/1023939835.db2.gz QPKLEZFFPZTNSL-UHFFFAOYSA-N 0 3 369.425 2.571 20 5 FFBDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001159595607 1027440333 /nfs/dbraw/zinc/44/03/33/1027440333.db2.gz OXTRLLKXJYPLOF-JTQLQIEISA-N 0 3 359.773 2.754 20 5 FFBDHN NCc1cc(-c2ccncc2)nn1-c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001160339930 1027682423 /nfs/dbraw/zinc/68/24/23/1027682423.db2.gz XNJWXTOWBZWOOE-UHFFFAOYSA-N 0 3 373.376 2.758 20 5 FFBDHN CC(C)[C@@H](CN(C)C)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000780689877 1028768417 /nfs/dbraw/zinc/76/84/17/1028768417.db2.gz DKQURYGBZYZXDO-LJQANCHMSA-N 0 3 351.450 2.997 20 5 FFBDHN O=[N+]([O-])c1cnc(N2CCN[C@H](c3ccccc3)C2)c(Br)c1 ZINC001164190724 1029195954 /nfs/dbraw/zinc/19/59/54/1029195954.db2.gz KWNCOQPPNINUBW-AWEZNQCLSA-N 0 3 363.215 2.903 20 5 FFBDHN C[Si](C)(C)CCOCN[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC001156466231 1029203437 /nfs/dbraw/zinc/20/34/37/1029203437.db2.gz LYWGZUHJUDLUMT-CYBMUJFWSA-N 0 3 370.501 3.000 20 5 FFBDHN O=C1N(CN2CCC[C@@H]2[C@@H]2CCCOC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000842620101 1030835777 /nfs/dbraw/zinc/83/57/77/1030835777.db2.gz YRTATGJDMZCBII-HZPDHXFCSA-N 0 3 374.441 2.685 20 5 FFBDHN NC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001226164046 1034553988 /nfs/dbraw/zinc/55/39/88/1034553988.db2.gz GFXBNOKTICKHIF-MRXNPFEDSA-N 0 3 355.394 2.737 20 5 FFBDHN COc1cc(N2CCC(NCc3cccc(F)n3)CC2)ccc1[N+](=O)[O-] ZINC001256087320 1038372160 /nfs/dbraw/zinc/37/21/60/1038372160.db2.gz WLVGPLUBPSWQHM-UHFFFAOYSA-N 0 3 360.389 2.896 20 5 FFBDHN N[C@H](Cc1nc(-c2cccn3ccnc23)no1)c1ccccc1[N+](=O)[O-] ZINC001249342174 1040693049 /nfs/dbraw/zinc/69/30/49/1040693049.db2.gz FRZQXWFVLAEFDZ-CYBMUJFWSA-N 0 3 350.338 2.535 20 5 FFBDHN CCS(=O)(=O)c1ccc(CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC001254531970 1040783210 /nfs/dbraw/zinc/78/32/10/1040783210.db2.gz HVJJXJKTXUXCJT-ZDUSSCGKSA-N 0 3 363.439 2.504 20 5 FFBDHN COC(=O)C[C@H](N[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccc(O)c1 ZINC001254580505 1040811924 /nfs/dbraw/zinc/81/19/24/1040811924.db2.gz FYUOXLLOTLYTMX-QAPCUYQASA-N 0 3 356.378 2.662 20 5 FFBDHN O=C1Nc2cc(Cl)ccc2C[C@@H]1N[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581570 1040814916 /nfs/dbraw/zinc/81/49/16/1040814916.db2.gz OLLMVZPBJJOFHI-PBHICJAKSA-N 0 3 357.797 2.868 20 5 FFBDHN O=C(NC1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1)C1CCCC1 ZINC001254600887 1040832490 /nfs/dbraw/zinc/83/24/90/1040832490.db2.gz RXYFIHCAIYRQNK-LJQANCHMSA-N 0 3 357.454 2.833 20 5 FFBDHN O=C1c2ccccc2CN1[C@H]1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254611029 1040839067 /nfs/dbraw/zinc/83/90/67/1040839067.db2.gz ONIOULCSNNIAIB-RBUKOAKNSA-N 0 3 363.417 2.792 20 5 FFBDHN COc1c(F)nccc1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC001263534856 1042359343 /nfs/dbraw/zinc/35/93/43/1042359343.db2.gz LESKGJDKLOHHJC-ZANVPECISA-N 0 3 352.293 2.932 20 5 FFBDHN Cc1cc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)cc([N+](=O)[O-])c1 ZINC001263983658 1042564621 /nfs/dbraw/zinc/56/46/21/1042564621.db2.gz XMWMJSZYMWNHPA-QWHCGFSZSA-N 0 3 362.304 2.826 20 5 FFBDHN COC(=O)[C@H]1CCC[C@@H]1NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC001322682735 1046179131 /nfs/dbraw/zinc/17/91/31/1046179131.db2.gz JXLRIZDDBQVUBE-JQWIXIFHSA-N 0 3 357.204 2.789 20 5 FFBDHN COc1cccc2cc(CNC[C@@H](O)COc3ccccc3[N+](=O)[O-])oc21 ZINC001326600323 1046996472 /nfs/dbraw/zinc/99/64/72/1046996472.db2.gz VPTLOOFTLPLQCX-CQSZACIVSA-N 0 3 372.377 2.879 20 5 FFBDHN C[C@]1(CO)C[C@H](O)CN1Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001332718784 1048525486 /nfs/dbraw/zinc/52/54/86/1048525486.db2.gz USSKWYINLXSSGM-YVEFUNNKSA-N 0 3 366.801 2.826 20 5 FFBDHN O=[N+]([O-])c1cc2c(nc1N1CCN[C@H](c3ccc(O)cc3)C1)CCCC2 ZINC001307201927 1052266747 /nfs/dbraw/zinc/26/67/47/1052266747.db2.gz RKVFQSIJLYLGPD-KRWDZBQOSA-N 0 3 354.410 2.725 20 5 FFBDHN Cc1cc(N2CC[C@H]3[C@H]2CCCN3CCO)c([N+](=O)[O-])cc1C(F)(F)F ZINC001307227610 1052271901 /nfs/dbraw/zinc/27/19/01/1052271901.db2.gz IVTJVYWUTSJWBV-UONOGXRCSA-N 0 3 373.375 2.957 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2C[C@H]2Cc2ccccc2)cc1 ZINC001335396905 1053335400 /nfs/dbraw/zinc/33/54/00/1053335400.db2.gz LAWOKYFTHTZWHB-QAPCUYQASA-N 0 3 360.435 2.589 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CC[C@H]3[C@H]2CCCN3CCO)c(C(F)(F)F)c1 ZINC001335565342 1053439023 /nfs/dbraw/zinc/43/90/23/1053439023.db2.gz HYZISUMGJLTTMR-LSDHHAIUSA-N 0 3 359.348 2.649 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H]2CCCN3CCO)c(C(F)(F)F)c1 ZINC001335565336 1053439325 /nfs/dbraw/zinc/43/93/25/1053439325.db2.gz HYZISUMGJLTTMR-CABCVRRESA-N 0 3 359.348 2.649 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)n1 ZINC001518643021 1058448923 /nfs/dbraw/zinc/44/89/23/1058448923.db2.gz PFGIARDXZYANQE-HOCLYGCPSA-N 0 3 354.410 2.864 20 5 FFBDHN C[C@H](COC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CCCCC1 ZINC000847962410 1058525441 /nfs/dbraw/zinc/52/54/41/1058525441.db2.gz GDPVERWLISTBQU-CQSZACIVSA-N 0 3 358.398 2.812 20 5 FFBDHN CS[C@H]1CN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1N(C)C ZINC001447106522 1058597708 /nfs/dbraw/zinc/59/77/08/1058597708.db2.gz QGGRMZQFFBYNOO-CABCVRRESA-N 0 3 371.890 2.685 20 5 FFBDHN O=[N+]([O-])c1cnc(N2CCCN(Cc3ccccc3)CCOCC2)c(F)c1 ZINC001472888653 1059666974 /nfs/dbraw/zinc/66/69/74/1059666974.db2.gz KXVXQJZYSNIWMA-UHFFFAOYSA-N 0 3 374.416 2.858 20 5 FFBDHN CSc1nccnc1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC001515654895 1059736263 /nfs/dbraw/zinc/73/62/63/1059736263.db2.gz WEMRBIYGSZDODG-TVQRCGJNSA-N 0 3 351.359 2.901 20 5 FFBDHN Cc1c(CNC[C@H]2COCCN2C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC001461678513 1061375964 /nfs/dbraw/zinc/37/59/64/1061375964.db2.gz ZTKQENNFYNDMEO-HNNXBMFYSA-N 0 3 365.430 2.629 20 5 FFBDHN COC(=O)[C@@H]1C[C@@H]1[C@H](C)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001462547122 1061664803 /nfs/dbraw/zinc/66/48/03/1061664803.db2.gz DNKUMILCNNAMAE-XXILOJSOSA-N 0 3 357.204 2.645 20 5 FFBDHN COc1c(O)ccc(CNC[C@H](CO)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC001462557840 1061670243 /nfs/dbraw/zinc/67/02/43/1061670243.db2.gz ZFIWIQVUENYKMT-CYBMUJFWSA-N 0 3 366.801 2.828 20 5 FFBDHN COc1c([O-])ccc(C[NH2+]C[C@H](CO)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC001462557840 1061670254 /nfs/dbraw/zinc/67/02/54/1061670254.db2.gz ZFIWIQVUENYKMT-CYBMUJFWSA-N 0 3 366.801 2.828 20 5 FFBDHN Cc1cccc(CN2CC[C@H](NC(=O)Cc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001470711036 1064421482 /nfs/dbraw/zinc/42/14/82/1064421482.db2.gz JOWRZBRWIGQHOH-SFHVURJKSA-N 0 3 353.422 2.836 20 5 FFBDHN C[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCN1C1CCCC1 ZINC001473798677 1065367204 /nfs/dbraw/zinc/36/72/04/1065367204.db2.gz VNMVBOCOEQPSBI-OAHLLOKOSA-N 0 3 360.458 2.506 20 5 FFBDHN O=C(CCN1CCC[C@H](c2ncccn2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC001473804700 1065370868 /nfs/dbraw/zinc/37/08/68/1065370868.db2.gz IOAPOTKQUYJWTG-ZDUSSCGKSA-N 0 3 373.388 2.732 20 5 FFBDHN C[N@H+](CCCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CCCCC1 ZINC001579128783 1078573365 /nfs/dbraw/zinc/57/33/65/1078573365.db2.gz ZWULEHOOZHRLQA-UHFFFAOYSA-N 0 3 359.434 2.841 20 5 FFBDHN C[N@@H+](CCCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CCCCC1 ZINC001579128783 1078573372 /nfs/dbraw/zinc/57/33/72/1078573372.db2.gz ZWULEHOOZHRLQA-UHFFFAOYSA-N 0 3 359.434 2.841 20 5 FFBDHN C[N@H+](CCCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1CCCCC1 ZINC001579128783 1078573382 /nfs/dbraw/zinc/57/33/82/1078573382.db2.gz ZWULEHOOZHRLQA-UHFFFAOYSA-N 0 3 359.434 2.841 20 5 FFBDHN C[N@@H+](CCCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1CCCCC1 ZINC001579128783 1078573386 /nfs/dbraw/zinc/57/33/86/1078573386.db2.gz ZWULEHOOZHRLQA-UHFFFAOYSA-N 0 3 359.434 2.841 20 5 FFBDHN O=[N+]([O-])c1ccc(NC[C@H]2CC[N@@H+]2C2CCCCCC2)c(-c2nnn[n-]2)c1 ZINC001582804393 1079110452 /nfs/dbraw/zinc/11/04/52/1079110452.db2.gz RSIGOQGUARNNSC-OAHLLOKOSA-N 0 3 371.445 2.984 20 5 FFBDHN O=[N+]([O-])c1ccc(NC[C@H]2CC[N@H+]2C2CCCCCC2)c(-c2nnn[n-]2)c1 ZINC001582804393 1079110460 /nfs/dbraw/zinc/11/04/60/1079110460.db2.gz RSIGOQGUARNNSC-OAHLLOKOSA-N 0 3 371.445 2.984 20 5 FFBDHN O=[N+]([O-])c1ccc(NC[C@H]2CC[N@@H+]2C2CCCCCC2)c(-c2nn[n-]n2)c1 ZINC001582804393 1079110468 /nfs/dbraw/zinc/11/04/68/1079110468.db2.gz RSIGOQGUARNNSC-OAHLLOKOSA-N 0 3 371.445 2.984 20 5 FFBDHN O=[N+]([O-])c1ccc(NC[C@H]2CC[N@H+]2C2CCCCCC2)c(-c2nn[n-]n2)c1 ZINC001582804393 1079110475 /nfs/dbraw/zinc/11/04/75/1079110475.db2.gz RSIGOQGUARNNSC-OAHLLOKOSA-N 0 3 371.445 2.984 20 5 FFBDHN Nc1c(Cl)cc(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC001583145777 1079170802 /nfs/dbraw/zinc/17/08/02/1079170802.db2.gz UCQJEYMCEKGFPA-OLZOCXBDSA-N 0 3 352.822 2.577 20 5 FFBDHN C[C@H]1CN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC(C)(C)C1 ZINC001559675385 1076182059 /nfs/dbraw/zinc/18/20/59/1076182059.db2.gz HPDIIEULWPZAJR-MRXNPFEDSA-N 0 3 374.485 2.611 20 5 FFBDHN COc1ccc(NC(=O)[C@@H](C)N[C@H]2CCOC23CCCC3)c([N+](=O)[O-])c1 ZINC001560208472 1076247713 /nfs/dbraw/zinc/24/77/13/1076247713.db2.gz GLKHAVZSROEXJO-WBMJQRKESA-N 0 3 363.414 2.622 20 5 FFBDHN CN1CCCC[C@@H]1CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC001562575172 1076504667 /nfs/dbraw/zinc/50/46/67/1076504667.db2.gz FKEKIGSOTWLLGF-LLVKDONJSA-N 0 3 371.235 2.963 20 5 FFBDHN CCOC[C@H](NCC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-])C(C)C ZINC000285703734 257000361 /nfs/dbraw/zinc/00/03/61/257000361.db2.gz CVZDWYHOCSVEOX-HNNXBMFYSA-N 0 3 353.419 2.583 20 5 FFBDHN COC(=O)[C@H]1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000104689647 250182735 /nfs/dbraw/zinc/18/27/35/250182735.db2.gz RSKAIKCCCMRBBH-AWEZNQCLSA-N 0 3 359.382 2.677 20 5 FFBDHN C[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@H]1COc2ccccc21 ZINC000162998340 251164433 /nfs/dbraw/zinc/16/44/33/251164433.db2.gz INEVIYKLOMUPFJ-MORSLUCNSA-N 0 3 367.405 2.854 20 5 FFBDHN CN(C)[C@H]1CCCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000272334575 252013341 /nfs/dbraw/zinc/01/33/41/252013341.db2.gz ATZUUSFIVYZBSM-AWEZNQCLSA-N 0 3 354.838 2.526 20 5 FFBDHN COc1ccc(NC(=O)c2ccccc2OCCN(C)C)cc1[N+](=O)[O-] ZINC000272841488 252144825 /nfs/dbraw/zinc/14/48/25/252144825.db2.gz TWABTQBQMYUMRC-UHFFFAOYSA-N 0 3 359.382 2.796 20 5 FFBDHN COc1cc(NCc2ccccc2CN2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000273225650 252256678 /nfs/dbraw/zinc/25/66/78/252256678.db2.gz RBFYQLURNCLYMU-KRWDZBQOSA-N 0 3 357.410 2.782 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCc3ccccc3C2)cc1 ZINC000273487746 252315948 /nfs/dbraw/zinc/31/59/48/252315948.db2.gz WADCYHKQEFCGJZ-MRXNPFEDSA-N 0 3 360.435 2.516 20 5 FFBDHN COC[C@@H](NCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000273423179 252303367 /nfs/dbraw/zinc/30/33/67/252303367.db2.gz SHFKJDSATUHPIA-GFCCVEGCSA-N 0 3 360.357 2.762 20 5 FFBDHN CC(C)(C)CCN1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000055933737 221076385 /nfs/dbraw/zinc/07/63/85/221076385.db2.gz PXABIOXOEORCHV-UHFFFAOYSA-N 0 3 362.474 2.977 20 5 FFBDHN CN(C)CCc1ccccc1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000275685466 256038004 /nfs/dbraw/zinc/03/80/04/256038004.db2.gz HORQDPLSMQJQEZ-UHFFFAOYSA-N 0 3 363.439 2.641 20 5 FFBDHN CC(C)NC(=O)c1ccc(N2CCC[C@H]3CN(C)CC[C@H]32)c([N+](=O)[O-])c1 ZINC000277087729 256160168 /nfs/dbraw/zinc/16/01/68/256160168.db2.gz VFLMFYXWPBPFIS-JKSUJKDBSA-N 0 3 360.458 2.654 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279313143 256404610 /nfs/dbraw/zinc/40/46/10/256404610.db2.gz OPCMKOMCYNLNJT-OTYXRUKQSA-N 0 3 355.797 2.529 20 5 FFBDHN CC(C)c1n[nH]c(C(=O)N(C)CCCN(C)Cc2ccco2)c1[N+](=O)[O-] ZINC000286735456 257052323 /nfs/dbraw/zinc/05/23/23/257052323.db2.gz RWMKQXFMWLCFSC-UHFFFAOYSA-N 0 3 363.418 2.628 20 5 FFBDHN CCCN(CCN1CCCC1)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000287257285 257080056 /nfs/dbraw/zinc/08/00/56/257080056.db2.gz RZPLFIMASGSMFT-UHFFFAOYSA-N 0 3 364.446 2.621 20 5 FFBDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1ncc(Br)cc1[N+](=O)[O-] ZINC000286403409 257035138 /nfs/dbraw/zinc/03/51/38/257035138.db2.gz PTOSQGLOOPKFLK-PWSUYJOCSA-N 0 3 355.236 2.815 20 5 FFBDHN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000288473330 257193114 /nfs/dbraw/zinc/19/31/14/257193114.db2.gz QOODKOUZPWECSB-IBGZPJMESA-N 0 3 354.410 2.661 20 5 FFBDHN Cc1c(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000288550588 257203896 /nfs/dbraw/zinc/20/38/96/257203896.db2.gz VNHVYTPADQYJDI-FZMZJTMJSA-N 0 3 362.386 2.510 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H](c2ccncc2)C1 ZINC000289346540 257275625 /nfs/dbraw/zinc/27/56/25/257275625.db2.gz MNSBGCTWCYPPMI-DLBZAZTESA-N 0 3 357.410 2.609 20 5 FFBDHN COCCN1CCC(Nc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301129956 258027898 /nfs/dbraw/zinc/02/78/98/258027898.db2.gz SVSJTENZWJWCKG-UHFFFAOYSA-N 0 3 358.236 2.880 20 5 FFBDHN CN1CCC[C@H](N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 ZINC000301277923 258039463 /nfs/dbraw/zinc/03/94/63/258039463.db2.gz JFVJFQHBHROUEM-AWEZNQCLSA-N 0 3 372.391 2.830 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](CCO)c1ccccc1 ZINC000299704450 258018260 /nfs/dbraw/zinc/01/82/60/258018260.db2.gz PKUAEGHSDTYRHK-INIZCTEOSA-N 0 3 373.409 2.645 20 5 FFBDHN COc1ccc([C@@H](CCO)NCCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000299732965 258021198 /nfs/dbraw/zinc/02/11/98/258021198.db2.gz YCTDYDQXXFWKHJ-MRXNPFEDSA-N 0 3 373.409 2.645 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCC(CN3CCOCC3)CC2)c(OC(F)F)c1 ZINC000302068453 258086314 /nfs/dbraw/zinc/08/63/14/258086314.db2.gz XBXYHYNUCIMQEJ-UHFFFAOYSA-N 0 3 371.384 2.745 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000302395381 258100641 /nfs/dbraw/zinc/10/06/41/258100641.db2.gz CSVGAVZXFDJVFO-FQEVSTJZSA-N 0 3 355.438 2.976 20 5 FFBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CCN1CC(C)(C)O ZINC000302517669 258104517 /nfs/dbraw/zinc/10/45/17/258104517.db2.gz WAMZHCUPSCWCJD-HNNXBMFYSA-N 0 3 370.453 2.938 20 5 FFBDHN COC(=O)c1cnc(N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000302772843 258110146 /nfs/dbraw/zinc/11/01/46/258110146.db2.gz NOBVUFNJDONXBR-XJKSGUPXSA-N 0 3 370.409 2.851 20 5 FFBDHN CCN1CCN([C@@H](C)CNc2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000301667348 258061646 /nfs/dbraw/zinc/06/16/46/258061646.db2.gz METTZUVLRFIOPB-LBPRGKRZSA-N 0 3 371.279 2.795 20 5 FFBDHN C[C@@H]1CN(CC2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000301754796 258066295 /nfs/dbraw/zinc/06/62/95/258066295.db2.gz WXSZVJGTLROLQS-BETUJISGSA-N 0 3 368.865 2.969 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000332069347 258212379 /nfs/dbraw/zinc/21/23/79/258212379.db2.gz BBMSSMDOCCXUOB-ZIAGYGMSSA-N 0 3 369.874 2.900 20 5 FFBDHN CCc1ccc(C(=O)N2C[C@@H](SC)[C@@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000332080884 258212962 /nfs/dbraw/zinc/21/29/62/258212962.db2.gz KRJNBONUVZTIQY-DLBZAZTESA-N 0 3 363.483 2.809 20 5 FFBDHN CCc1ccc(C(=O)N2C[C@H](SC)[C@@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000332080886 258213003 /nfs/dbraw/zinc/21/30/03/258213003.db2.gz KRJNBONUVZTIQY-IRXDYDNUSA-N 0 3 363.483 2.809 20 5 FFBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000332295276 258223593 /nfs/dbraw/zinc/22/35/93/258223593.db2.gz LYSFUHOOKXORCL-OLZOCXBDSA-N 0 3 369.368 2.753 20 5 FFBDHN COc1ccc(C(=O)NCCCN2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000032398975 506248375 /nfs/dbraw/zinc/24/83/75/506248375.db2.gz WDMKBPKWAPZYDU-UHFFFAOYSA-N 0 3 369.421 2.782 20 5 FFBDHN O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CC[C@H](N2CCCC2)C1 ZINC000366807952 512194581 /nfs/dbraw/zinc/19/45/81/512194581.db2.gz POXBRXKBCQAANA-INIZCTEOSA-N 0 3 366.421 2.967 20 5 FFBDHN C[C@@H]1CCCCN1CCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000053515218 506396048 /nfs/dbraw/zinc/39/60/48/506396048.db2.gz XOFSENCWEFDEOW-CQSZACIVSA-N 0 3 371.441 2.600 20 5 FFBDHN CCOc1cc(NC(=O)NC2CCN(C)CC2)c([N+](=O)[O-])cc1OCC ZINC000043838889 506788233 /nfs/dbraw/zinc/78/82/33/506788233.db2.gz WCRFSNCDTZBVIH-UHFFFAOYSA-N 0 3 366.418 2.608 20 5 FFBDHN COc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)cc1[N+](=O)[O-] ZINC000067269106 506811878 /nfs/dbraw/zinc/81/18/78/506811878.db2.gz ZUKDZLJFPVVYPA-QGZVFWFLSA-N 0 3 357.410 2.945 20 5 FFBDHN CN(CCCNC(=O)NCc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000067536273 506914428 /nfs/dbraw/zinc/91/44/28/506914428.db2.gz JQGXRQKUGSMCIS-UHFFFAOYSA-N 0 3 356.426 2.916 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCC[NH+]1CCC(C)CC1 ZINC000056066235 506922233 /nfs/dbraw/zinc/92/22/33/506922233.db2.gz ZTHBVZJFMRPYBU-UHFFFAOYSA-N 0 3 369.487 2.694 20 5 FFBDHN NC(=O)c1ccc(CN(CCOc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000046054378 507068548 /nfs/dbraw/zinc/06/85/48/507068548.db2.gz GSDFEBJRHIZCKF-UHFFFAOYSA-N 0 3 355.394 2.737 20 5 FFBDHN CN(C(=O)CN1CCC[C@H]1CN1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000069076267 507398881 /nfs/dbraw/zinc/39/88/81/507398881.db2.gz ZPODGRIKXKRJSE-SFHVURJKSA-N 0 3 360.458 2.508 20 5 FFBDHN CN(CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)Cc1ccccc1 ZINC000048245570 507488184 /nfs/dbraw/zinc/48/81/84/507488184.db2.gz HEBGXRFCIVAQKV-UHFFFAOYSA-N 0 3 360.389 2.568 20 5 FFBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc2c(c1)OCCO2 ZINC000026227866 507570929 /nfs/dbraw/zinc/57/09/29/507570929.db2.gz QJEDUOFBNZGEEQ-UHFFFAOYSA-N 0 3 371.393 2.827 20 5 FFBDHN Cc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000070928562 507663722 /nfs/dbraw/zinc/66/37/22/507663722.db2.gz USBFYHXAXJLMHS-UHFFFAOYSA-N 0 3 354.410 2.945 20 5 FFBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)CN2CCCCC2)cc1OC ZINC000027755927 507682141 /nfs/dbraw/zinc/68/21/41/507682141.db2.gz CEAOGYABVYNNBU-CYBMUJFWSA-N 0 3 365.430 2.606 20 5 FFBDHN COc1ccc([C@@H](CNc2c([N+](=O)[O-])c(C)nn2C)N2CCCC2)cc1 ZINC000051227309 507750867 /nfs/dbraw/zinc/75/08/67/507750867.db2.gz HNZVGTJPKNMOCW-MRXNPFEDSA-N 0 3 359.430 2.894 20 5 FFBDHN CCN(CC)[C@@H](CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-])c1ccsc1 ZINC000064336708 507790869 /nfs/dbraw/zinc/79/08/69/507790869.db2.gz DLYXZMFUHHIYFC-LBPRGKRZSA-N 0 3 351.432 2.501 20 5 FFBDHN COc1ccc([C@H](CNc2c([N+](=O)[O-])ncn2C)N2CCCCC2)cc1 ZINC000029852631 507793033 /nfs/dbraw/zinc/79/30/33/507793033.db2.gz AZYXMDOJUUKTFF-INIZCTEOSA-N 0 3 359.430 2.976 20 5 FFBDHN C[C@@H]1C[C@@H](C)CN(CCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000052305829 507806102 /nfs/dbraw/zinc/80/61/02/507806102.db2.gz SFPCRGXIYKTGND-ZIAGYGMSSA-N 0 3 369.487 2.778 20 5 FFBDHN COc1ccc([C@@H](CNCc2ccc([N+](=O)[O-])cc2)N2CCOCC2)cc1 ZINC000072725958 507847901 /nfs/dbraw/zinc/84/79/01/507847901.db2.gz ICOSZACONDZJPM-HXUWFJFHSA-N 0 3 371.437 2.767 20 5 FFBDHN O=[N+]([O-])c1ccc(NCCCN2CCC(O)CC2)nc1-c1ccccc1 ZINC000090072324 507906783 /nfs/dbraw/zinc/90/67/83/507906783.db2.gz ITVWBXSLNUEWDM-UHFFFAOYSA-N 0 3 356.426 2.916 20 5 FFBDHN CC(C)[C@H](CNc1ccc([N+](=O)[O-])c2cnccc12)N1CCN(C)CC1 ZINC000078886506 507914516 /nfs/dbraw/zinc/91/45/16/507914516.db2.gz NYJJBARRBXARKF-IBGZPJMESA-N 0 3 357.458 2.827 20 5 FFBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)C1CCN(c3ccccc3[N+](=O)[O-])CC1)C2 ZINC000073996347 507975250 /nfs/dbraw/zinc/97/52/50/507975250.db2.gz VLWCVTJHTHZNBS-DLBZAZTESA-N 0 3 372.469 2.506 20 5 FFBDHN C[C@H](c1ccccn1)N(C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000091702505 508003618 /nfs/dbraw/zinc/00/36/18/508003618.db2.gz KYJGDKPDYGWLPW-CYBMUJFWSA-N 0 3 356.382 2.981 20 5 FFBDHN C[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000110355875 508022711 /nfs/dbraw/zinc/02/27/11/508022711.db2.gz XIDINPGXSRMMMQ-HNNXBMFYSA-N 0 3 357.410 2.610 20 5 FFBDHN CN(C)Cc1cccc(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000111563539 508108300 /nfs/dbraw/zinc/10/83/00/508108300.db2.gz WOGOUTJFOQJVJR-UHFFFAOYSA-N 0 3 366.377 2.750 20 5 FFBDHN O=[N+]([O-])c1cccc(OCCN2CCC(c3nnc4ccccn43)CC2)c1 ZINC000112337190 508175917 /nfs/dbraw/zinc/17/59/17/508175917.db2.gz SUCGKHFNYJFHQM-UHFFFAOYSA-N 0 3 367.409 2.896 20 5 FFBDHN CC(C)OCCN1CCC(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000081996820 508224391 /nfs/dbraw/zinc/22/43/91/508224391.db2.gz ZMRQBVSRCJEAIK-UHFFFAOYSA-N 0 3 369.849 2.867 20 5 FFBDHN COc1cc(CNC[C@@H](C)CO)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000101594440 508249542 /nfs/dbraw/zinc/24/95/42/508249542.db2.gz QYNZELFXLRSSRG-CQSZACIVSA-N 0 3 360.410 2.900 20 5 FFBDHN Cc1ccc(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])c(CN(C)C)c1 ZINC000113912566 508285644 /nfs/dbraw/zinc/28/56/44/508285644.db2.gz AOBHFAZORNAUTN-UHFFFAOYSA-N 0 3 371.393 2.795 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000088329268 508365406 /nfs/dbraw/zinc/36/54/06/508365406.db2.gz USKFYNVHVHXLCV-UHFFFAOYSA-N 0 3 362.386 2.792 20 5 FFBDHN C[NH+](C)Cc1cc(CNC(=O)c2[n-]nc3ccc([N+](=O)[O-])cc32)ccc1F ZINC000115416738 508392593 /nfs/dbraw/zinc/39/25/93/508392593.db2.gz PFRIHUMGXIUKGW-UHFFFAOYSA-N 0 3 371.372 2.602 20 5 FFBDHN CCOC(=O)c1ccnc(N[C@H](C)CN2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000077932964 508393409 /nfs/dbraw/zinc/39/34/09/508393409.db2.gz JKNIMFFTAQNWCI-QWHCGFSZSA-N 0 3 350.419 2.699 20 5 FFBDHN C[C@H](NC[C@H](O)COc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000133758707 508444533 /nfs/dbraw/zinc/44/45/33/508444533.db2.gz YMHHWPDDPOHYLM-FZMZJTMJSA-N 0 3 352.337 2.964 20 5 FFBDHN O=C(NC1CC1)c1ccc(N2CCN(C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000152435759 508445623 /nfs/dbraw/zinc/44/56/23/508445623.db2.gz NJJKNBKPHCHUJE-UHFFFAOYSA-N 0 3 372.469 2.942 20 5 FFBDHN CCOc1ccc([C@@H](C)NCC(C)(C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000152586193 508474447 /nfs/dbraw/zinc/47/44/47/508474447.db2.gz FAWOLMJFJRAGAP-CQSZACIVSA-N 0 3 351.447 2.755 20 5 FFBDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000134023582 508482878 /nfs/dbraw/zinc/48/28/78/508482878.db2.gz OPUCOSVWFBWQJA-MRXNPFEDSA-N 0 3 359.401 2.566 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000153410496 508580660 /nfs/dbraw/zinc/58/06/60/508580660.db2.gz PGAASCZHSOQAEH-WCQYABFASA-N 0 3 355.822 2.568 20 5 FFBDHN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H](N2CCCC2)C1 ZINC000153561278 508598165 /nfs/dbraw/zinc/59/81/65/508598165.db2.gz QEQMODVGFMKNES-ZDUSSCGKSA-N 0 3 368.231 2.668 20 5 FFBDHN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H](N2CCCC2)C1 ZINC000153561375 508598314 /nfs/dbraw/zinc/59/83/14/508598314.db2.gz QEQMODVGFMKNES-CYBMUJFWSA-N 0 3 368.231 2.668 20 5 FFBDHN CC[C@H]1CCCCN1CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000157709489 508600714 /nfs/dbraw/zinc/60/07/14/508600714.db2.gz MWBBTOCVUNKOAR-HNNXBMFYSA-N 0 3 371.441 2.775 20 5 FFBDHN C[C@H]1C[C@H](N(C)C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000122946645 508611847 /nfs/dbraw/zinc/61/18/47/508611847.db2.gz SAQNOUSMISBFCF-GXTWGEPZSA-N 0 3 369.849 2.958 20 5 FFBDHN CCOc1ccc([C@H](C)N[C@@H](C)[C@@H](C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000153635194 508613126 /nfs/dbraw/zinc/61/31/26/508613126.db2.gz AJCRLFHNZQTMDZ-SOUVJXGZSA-N 0 3 351.447 2.753 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000123039557 508626614 /nfs/dbraw/zinc/62/66/14/508626614.db2.gz KIPRKYMGENMBPL-UHFFFAOYSA-N 0 3 373.413 2.594 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)cc1SC ZINC000123206918 508651950 /nfs/dbraw/zinc/65/19/50/508651950.db2.gz SLUFCUOHQUGOLZ-NWDGAFQWSA-N 0 3 367.471 2.880 20 5 FFBDHN CN(C)C[C@@H]1CCCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000119192952 508745305 /nfs/dbraw/zinc/74/53/05/508745305.db2.gz NOWLOSKVJCJTPG-ZDUSSCGKSA-N 0 3 370.247 2.914 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 ZINC000137527527 508759186 /nfs/dbraw/zinc/75/91/86/508759186.db2.gz AGYDHZJKODIEMD-MAUKXSAKSA-N 0 3 353.422 2.917 20 5 FFBDHN Cc1cc(C(=O)NCC2(N3CCSCC3)CCCC2)cc([N+](=O)[O-])c1 ZINC000147883468 508860067 /nfs/dbraw/zinc/86/00/67/508860067.db2.gz BSSQGPDVMLUXOV-UHFFFAOYSA-N 0 3 363.483 2.995 20 5 FFBDHN CN(C)c1cccc(CN(C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000159807723 508893451 /nfs/dbraw/zinc/89/34/51/508893451.db2.gz NZPIPUZTBNMKGB-GOSISDBHSA-N 0 3 359.426 2.533 20 5 FFBDHN CN(C)c1cccc([C@@H]2CCCN2CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000159850838 508900154 /nfs/dbraw/zinc/90/01/54/508900154.db2.gz WKIYBHGPKZGTKZ-SFHVURJKSA-N 0 3 356.426 2.660 20 5 FFBDHN CN(C)CCOc1ccccc1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000120043543 508916442 /nfs/dbraw/zinc/91/64/42/508916442.db2.gz WYPFONZQKBJJEP-UHFFFAOYSA-N 0 3 358.398 2.857 20 5 FFBDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000155557678 509026172 /nfs/dbraw/zinc/02/61/72/509026172.db2.gz AGCUVHWUXYIOCY-HNNXBMFYSA-N 0 3 368.437 2.874 20 5 FFBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000133222051 509134514 /nfs/dbraw/zinc/13/45/14/509134514.db2.gz CAAVQRQWABMPAD-UHFFFAOYSA-N 0 3 373.457 2.517 20 5 FFBDHN C[C@H]1CN(CC2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C[C@H](C)O1 ZINC000263846291 509183717 /nfs/dbraw/zinc/18/37/17/509183717.db2.gz XGBCLXDOXJSWSZ-STQMWFEESA-N 0 3 367.471 2.618 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CN1C1CC1 ZINC000182350695 509190033 /nfs/dbraw/zinc/19/00/33/509190033.db2.gz AGTQNNUJVALKDH-NXEZZACHSA-N 0 3 355.341 2.551 20 5 FFBDHN COc1cccc(C(=O)NCCN[C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000162404609 509217743 /nfs/dbraw/zinc/21/77/43/509217743.db2.gz OYHPCTCQGKAJMV-CQSZACIVSA-N 0 3 357.410 2.992 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)[C@@H]1COc2ccccc21 ZINC000185565818 509239271 /nfs/dbraw/zinc/23/92/71/509239271.db2.gz YGRMIJPZBGROIO-BBRMVZONSA-N 0 3 355.394 2.996 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)[C@H]1COc2ccccc21 ZINC000185579521 509248851 /nfs/dbraw/zinc/24/88/51/509248851.db2.gz ULTLXFZQAGNKGO-IUODEOHRSA-N 0 3 371.393 2.696 20 5 FFBDHN CN1CC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000179115318 509271192 /nfs/dbraw/zinc/27/11/92/509271192.db2.gz IBMBRSMXNJWZTA-MSOLQXFVSA-N 0 3 354.410 2.839 20 5 FFBDHN CCO[C@@H]1C[C@@H](N(C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000248457201 509329497 /nfs/dbraw/zinc/32/94/97/509329497.db2.gz MEMCCIZYMURHED-ZTFGCOKTSA-N 0 3 364.442 2.614 20 5 FFBDHN O=C(NCC1(N2CCCC2)CCOCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000264305253 509446136 /nfs/dbraw/zinc/44/61/36/509446136.db2.gz SAPUBSJQZUVEJB-UHFFFAOYSA-N 0 3 373.409 2.716 20 5 FFBDHN C[C@H]1C[C@H](N(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])CCN1C ZINC000267428317 509476257 /nfs/dbraw/zinc/47/62/57/509476257.db2.gz CCYFAPWRIXRXOA-CMPLNLGQSA-N 0 3 370.247 2.912 20 5 FFBDHN O=C1CCCN1C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000179548196 509505756 /nfs/dbraw/zinc/50/57/56/509505756.db2.gz KWWVWGOTHRSFIL-LJQANCHMSA-N 0 3 369.421 2.927 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000248843949 509508594 /nfs/dbraw/zinc/50/85/94/509508594.db2.gz OBVFGPVNMNDHLX-SCLBCKFNSA-N 0 3 357.385 2.984 20 5 FFBDHN C[C@@H](NCc1ccnc(N2CCN(C)CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000173326282 509534505 /nfs/dbraw/zinc/53/45/05/509534505.db2.gz UTDCLJFZDLJGFK-OAHLLOKOSA-N 0 3 355.442 2.592 20 5 FFBDHN CCC[C@@H](N[C@H](C(=O)N1CCOCC1)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000164928293 509546221 /nfs/dbraw/zinc/54/62/21/509546221.db2.gz CFIMAJAOHHNODL-MSOLQXFVSA-N 0 3 363.458 2.909 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000248924786 509546136 /nfs/dbraw/zinc/54/61/36/509546136.db2.gz XAMSTMIWLQBZBL-DNVCBOLYSA-N 0 3 353.422 2.774 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000173368557 509557320 /nfs/dbraw/zinc/55/73/20/509557320.db2.gz ZWCLRCRIDRVHLF-OALUTQOASA-N 0 3 370.384 2.671 20 5 FFBDHN C[C@H](NC[C@@H](O)COc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000173394658 509571347 /nfs/dbraw/zinc/57/13/47/509571347.db2.gz RJLKAFTYHSLZNY-SMDDNHRTSA-N 0 3 352.337 2.964 20 5 FFBDHN Nc1c(C(=O)NC[C@H]2CCCN2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000176706390 509651442 /nfs/dbraw/zinc/65/14/42/509651442.db2.gz YJWPKLKWSKVAFI-OAHLLOKOSA-N 0 3 354.410 2.571 20 5 FFBDHN CC(C)C[C@@H]1OCCC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000186344377 509661231 /nfs/dbraw/zinc/66/12/31/509661231.db2.gz IUIBMPHRDOCJTB-IRXDYDNUSA-N 0 3 370.471 2.552 20 5 FFBDHN C[C@@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@@H]1CN ZINC000237515623 509667537 /nfs/dbraw/zinc/66/75/37/509667537.db2.gz JMLSFIHNEOBUAU-FOIQADDNSA-N 0 3 363.461 2.741 20 5 FFBDHN CCC(CC)[C@@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)N(C)C ZINC000189630315 509671123 /nfs/dbraw/zinc/67/11/23/509671123.db2.gz ZJZDUXBHAVORPJ-OAHLLOKOSA-N 0 3 357.476 2.777 20 5 FFBDHN CCN1CCC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267937883 509678744 /nfs/dbraw/zinc/67/87/44/509678744.db2.gz NFKQBSKKCSVRKH-JTQLQIEISA-N 0 3 374.210 2.711 20 5 FFBDHN CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C1CCN(C)CC1 ZINC000267948049 509683553 /nfs/dbraw/zinc/68/35/53/509683553.db2.gz IIQUPOYIVILNDK-UHFFFAOYSA-N 0 3 374.210 2.663 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000249686845 509734189 /nfs/dbraw/zinc/73/41/89/509734189.db2.gz JCTBIILOVMSSRH-UONOGXRCSA-N 0 3 364.446 2.523 20 5 FFBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268108150 509760259 /nfs/dbraw/zinc/76/02/59/509760259.db2.gz GDBGPBFXHSNRHW-IAQYHMDHSA-N 0 3 354.838 2.730 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1CCN(C2CCCC2)CC1 ZINC000176939379 509776154 /nfs/dbraw/zinc/77/61/54/509776154.db2.gz XLOKXNSQGSNPQZ-UHFFFAOYSA-N 0 3 367.471 2.589 20 5 FFBDHN Cc1ccc([C@H](CNCc2ccc([N+](=O)[O-])cc2C)N2CCOCC2)o1 ZINC000183426655 509781654 /nfs/dbraw/zinc/78/16/54/509781654.db2.gz MUCFCNWDMBIJFU-SFHVURJKSA-N 0 3 359.426 2.968 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)cc1SC ZINC000268171640 509794074 /nfs/dbraw/zinc/79/40/74/509794074.db2.gz FBNBPGSMWDDZRT-ZWNOBZJWSA-N 0 3 365.455 2.538 20 5 FFBDHN CC(C)[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1F ZINC000180267195 509840567 /nfs/dbraw/zinc/84/05/67/509840567.db2.gz KTDNHMZEHXPZND-CJNGLKHVSA-N 0 3 370.812 2.932 20 5 FFBDHN C[C@H](CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)N1CCN(C)CC1 ZINC000180465095 509937161 /nfs/dbraw/zinc/93/71/61/509937161.db2.gz HCRZXFQSOQIXQZ-UTKZUKDTSA-N 0 3 368.481 2.910 20 5 FFBDHN Cc1ccc(CN(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000190315010 510059459 /nfs/dbraw/zinc/05/94/59/510059459.db2.gz NVNMLFOJDSPQFH-NRFANRHFSA-N 0 3 369.465 2.972 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCN4CCCC[C@@H]4C3)o2)c1 ZINC000177760914 510237633 /nfs/dbraw/zinc/23/76/33/510237633.db2.gz AFMIMZFAGGRQBC-QGZVFWFLSA-N 0 3 356.426 2.962 20 5 FFBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(C(F)(F)F)cc1 ZINC000174724121 510271367 /nfs/dbraw/zinc/27/13/67/510271367.db2.gz NGXRBFMVAKTIAG-IINYFYTJSA-N 0 3 358.320 2.522 20 5 FFBDHN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCN[C@@H](C)[C@@H]3C)cc2[N+](=O)[O-])C1 ZINC000262743767 510393038 /nfs/dbraw/zinc/39/30/38/510393038.db2.gz FIBCMFOBMCYIRF-FZKCQIBNSA-N 0 3 374.485 2.900 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246270940 510400513 /nfs/dbraw/zinc/40/05/13/510400513.db2.gz AEJMGEZJPBMYLI-KXBFYZLASA-N 0 3 372.469 2.790 20 5 FFBDHN Nc1c(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000178161174 510464908 /nfs/dbraw/zinc/46/49/08/510464908.db2.gz GNBHOFWQQKYAPC-INIZCTEOSA-N 0 3 354.410 2.744 20 5 FFBDHN C[C@@H](CCN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000184828240 510535489 /nfs/dbraw/zinc/53/54/89/510535489.db2.gz SNWIGLQBPDTSIX-LBPRGKRZSA-N 0 3 358.389 2.634 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H]2Cc2ccccc2Cl)c1 ZINC000246661864 510607081 /nfs/dbraw/zinc/60/70/81/510607081.db2.gz FHTFXGAUYDKNHJ-GDBMZVCRSA-N 0 3 364.833 2.513 20 5 FFBDHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000246880039 510724486 /nfs/dbraw/zinc/72/44/86/510724486.db2.gz FVOMDHJWBZCQQZ-HOTGVXAUSA-N 0 3 358.442 2.868 20 5 FFBDHN CN1CC[C@@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]1c1ccccc1 ZINC000270235553 510727729 /nfs/dbraw/zinc/72/77/29/510727729.db2.gz BEGHVEQKPREZPX-MOPGFXCFSA-N 0 3 369.421 2.996 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H](c3nccs3)C2)c1 ZINC000195343848 510793739 /nfs/dbraw/zinc/79/37/39/510793739.db2.gz ARWDPEUQOYFBJY-ZFWWWQNUSA-N 0 3 363.439 2.671 20 5 FFBDHN C[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000182177097 510796842 /nfs/dbraw/zinc/79/68/42/510796842.db2.gz CXSCMZHJZZCMHP-WCQYABFASA-N 0 3 352.337 2.964 20 5 FFBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000285659516 510998847 /nfs/dbraw/zinc/99/88/47/510998847.db2.gz FHTWSDWEKNXVEB-YOEHRIQHSA-N 0 3 356.426 2.635 20 5 FFBDHN CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1ccncc1 ZINC000271019192 511058023 /nfs/dbraw/zinc/05/80/23/511058023.db2.gz NRMXKHGXDNBJIN-UHFFFAOYSA-N 0 3 358.398 2.849 20 5 FFBDHN O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H]2CCC3(CCOCC3)[C@H]2O)c1 ZINC000282647682 511058961 /nfs/dbraw/zinc/05/89/61/511058961.db2.gz HOGYQJHUUKEUAO-LRDDRELGSA-N 0 3 354.834 2.906 20 5 FFBDHN COc1ccc(OCCN2CC[C@H](C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000361940038 511105943 /nfs/dbraw/zinc/10/59/43/511105943.db2.gz AMUAXIQOPNCQBL-HNNXBMFYSA-N 0 3 350.415 2.731 20 5 FFBDHN O=C(NC[C@H]1CCN(C2CC2)C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294593250 511113994 /nfs/dbraw/zinc/11/39/94/511113994.db2.gz QSJUATDPTCRGAM-SNVBAGLBSA-N 0 3 357.332 2.828 20 5 FFBDHN CC(C)(CCC(=O)N1CCC(N2CCc3ccccc3C2)CC1)[N+](=O)[O-] ZINC000294677708 511140670 /nfs/dbraw/zinc/14/06/70/511140670.db2.gz JNLRGMHOFIOSTF-UHFFFAOYSA-N 0 3 359.470 2.871 20 5 FFBDHN Cn1cc([C@@H]2CN(Cc3ccc([N+](=O)[O-])c(F)c3)CC23CCOCC3)cn1 ZINC000295108538 511284714 /nfs/dbraw/zinc/28/47/14/511284714.db2.gz IEDSCLMWRWKCJN-INIZCTEOSA-N 0 3 374.416 2.864 20 5 FFBDHN COc1ccc([C@@H](CO)N(C)CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000283224159 511284807 /nfs/dbraw/zinc/28/48/07/511284807.db2.gz IDHKAZLUZNHRIA-GOSISDBHSA-N 0 3 373.409 2.597 20 5 FFBDHN COc1ccccc1COC[C@@H](O)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271727468 511302301 /nfs/dbraw/zinc/30/23/01/511302301.db2.gz MIEPPAYUKWBYEN-ZBFHGGJFSA-N 0 3 360.410 2.832 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC=C(c3cccc(Cl)c3)CC2)c1 ZINC000280330588 511423583 /nfs/dbraw/zinc/42/35/83/511423583.db2.gz ZNLMAHMQGSVPDQ-QGZVFWFLSA-N 0 3 362.817 2.595 20 5 FFBDHN C[C@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCN(C2CCC2)C1 ZINC000292062259 511450651 /nfs/dbraw/zinc/45/06/51/511450651.db2.gz WSLYUOXICPTSGL-OAHLLOKOSA-N 0 3 360.458 2.653 20 5 FFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)C1CCN(C)CC1 ZINC000284235481 511651756 /nfs/dbraw/zinc/65/17/56/511651756.db2.gz HEBVSFCTZHMEKW-UHFFFAOYSA-N 0 3 370.247 2.832 20 5 FFBDHN O=C(CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1)Nc1ccc(F)cc1 ZINC000365820394 511667656 /nfs/dbraw/zinc/66/76/56/511667656.db2.gz NKCQRXNYJIGWRI-UHFFFAOYSA-N 0 3 361.377 2.596 20 5 FFBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCc2cn3c(n2)SCC3)c1 ZINC000274284256 511779795 /nfs/dbraw/zinc/77/97/95/511779795.db2.gz WAPPDWJEOZVEMJ-UHFFFAOYSA-N 0 3 370.381 2.831 20 5 FFBDHN COCCc1ccc(OC[C@H](O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000296677994 511848790 /nfs/dbraw/zinc/84/87/90/511848790.db2.gz HSYJGIJMCQICNS-HNAYVOBHSA-N 0 3 374.437 2.874 20 5 FFBDHN CC(C)(CO)[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000293204391 511879570 /nfs/dbraw/zinc/87/95/70/511879570.db2.gz XDQIUWMMAUOXHA-HNNXBMFYSA-N 0 3 355.822 2.573 20 5 FFBDHN CCCc1n[nH]c(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000274615570 511888785 /nfs/dbraw/zinc/88/87/85/511888785.db2.gz YHCDFFIQYUFSTD-LRDDRELGSA-N 0 3 359.430 2.692 20 5 FFBDHN Cc1c(NC(=O)[C@@H](C)N2CCN(C3CC3)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000296801112 511903293 /nfs/dbraw/zinc/90/32/93/511903293.db2.gz UECRVMFMPWIILU-DZGCQCFKSA-N 0 3 360.458 2.646 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@@H]1N1CCCC1 ZINC000274851673 511964478 /nfs/dbraw/zinc/96/44/78/511964478.db2.gz AZNGKFVXCFGANH-DLBZAZTESA-N 0 3 374.466 2.728 20 5 FFBDHN CN1CC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C2)C1 ZINC000293605352 512024672 /nfs/dbraw/zinc/02/46/72/512024672.db2.gz CHQPPDYUJNTJLA-OAHLLOKOSA-N 0 3 368.231 2.525 20 5 FFBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000360063014 512070853 /nfs/dbraw/zinc/07/08/53/512070853.db2.gz XNPXYOOHSOKTSH-LRDDRELGSA-N 0 3 358.341 2.624 20 5 FFBDHN CN(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000411150599 512492671 /nfs/dbraw/zinc/49/26/71/512492671.db2.gz AHHDHSIQMSPPAP-HSALFYBXSA-N 0 3 367.449 2.987 20 5 FFBDHN COc1ccc([C@H](CO)N(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000411270856 512554880 /nfs/dbraw/zinc/55/48/80/512554880.db2.gz QFEMXPNBQZAEPK-SFHVURJKSA-N 0 3 373.409 2.597 20 5 FFBDHN CN1C[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000374301613 512753758 /nfs/dbraw/zinc/75/37/58/512753758.db2.gz KKVJQGDKDAHADR-OALUTQOASA-N 0 3 353.422 2.741 20 5 FFBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)CC[C@@H]1N1CCN(C)CC1 ZINC000374306575 512756715 /nfs/dbraw/zinc/75/67/15/512756715.db2.gz AVAFTHWHGXTUJC-WBVHZDCISA-N 0 3 369.469 2.605 20 5 FFBDHN Nc1c(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000379688637 512871928 /nfs/dbraw/zinc/87/19/28/512871928.db2.gz ZLCOWPNXOOLBAG-INIZCTEOSA-N 0 3 368.437 2.962 20 5 FFBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000376567788 512877372 /nfs/dbraw/zinc/87/73/72/512877372.db2.gz AHFZDWCUEVOEAQ-IUODEOHRSA-N 0 3 353.369 2.772 20 5 FFBDHN CN(Cc1ccccc1)C1(CNC(=O)c2cccc([N+](=O)[O-])c2N)CCC1 ZINC000386688805 512889748 /nfs/dbraw/zinc/88/97/48/512889748.db2.gz JYMRJPJGGQCMRL-UHFFFAOYSA-N 0 3 368.437 2.962 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(CC(=O)NCCN2[C@H](C)CCC[C@H]2C)c1F ZINC000412055235 512934806 /nfs/dbraw/zinc/93/48/06/512934806.db2.gz OIROXQMASBYIAV-CHWSQXEVSA-N 0 3 367.421 2.664 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@H]2N(C)CCCC2(C)C)c1F ZINC000412299953 513029653 /nfs/dbraw/zinc/02/96/53/513029653.db2.gz HTOJCYNREKGXAT-OAHLLOKOSA-N 0 3 367.421 2.522 20 5 FFBDHN COc1cc(OCCN(C)C)ccc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000412561228 513163061 /nfs/dbraw/zinc/16/30/61/513163061.db2.gz DLOCUBCCXKUTHJ-UHFFFAOYSA-N 0 3 365.411 2.858 20 5 FFBDHN N[C@@H](CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000417722255 513180700 /nfs/dbraw/zinc/18/07/00/513180700.db2.gz VDRRKGYKKZTXRE-SFHVURJKSA-N 0 3 356.426 2.917 20 5 FFBDHN COC(=O)[C@]1(c2ccccc2)CCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000428816448 513201696 /nfs/dbraw/zinc/20/16/96/513201696.db2.gz ILTBPZBCWDTLNU-HXUWFJFHSA-N 0 3 370.405 2.920 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000439885107 513203798 /nfs/dbraw/zinc/20/37/98/513203798.db2.gz BSPZMHPIFIVHFT-HIFRSBDPSA-N 0 3 368.459 2.503 20 5 FFBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000429001790 513248774 /nfs/dbraw/zinc/24/87/74/513248774.db2.gz WZHFBRAJVKXBPV-ATNYBXOESA-N 0 3 360.458 2.584 20 5 FFBDHN C[C@@H](CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000450569625 513254727 /nfs/dbraw/zinc/25/47/27/513254727.db2.gz VHIYDGNSXJEGRR-HNNXBMFYSA-N 0 3 361.442 2.938 20 5 FFBDHN CC(C)(C)C(=O)N1CCC(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000446830793 513345520 /nfs/dbraw/zinc/34/55/20/513345520.db2.gz WXRPEXGXNHVFEN-UHFFFAOYSA-N 0 3 359.430 2.598 20 5 FFBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)C[C@@H]1CCCN1C ZINC000421704669 513377104 /nfs/dbraw/zinc/37/71/04/513377104.db2.gz PJQANXNNQIGJQR-YPMHNXCESA-N 0 3 355.822 2.568 20 5 FFBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2ccc3c(c2)OCCO3)n1 ZINC000447513653 513494336 /nfs/dbraw/zinc/49/43/36/513494336.db2.gz YACGPVDGFLJCRK-CABCVRRESA-N 0 3 358.398 2.836 20 5 FFBDHN CCCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccccc1OC ZINC000441289770 513531391 /nfs/dbraw/zinc/53/13/91/513531391.db2.gz VHFJHCXESKTZDD-GDBMZVCRSA-N 0 3 362.430 2.634 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@H](c1ccccc1)N(C)C ZINC000416136776 513591203 /nfs/dbraw/zinc/59/12/03/513591203.db2.gz UNIOJYNEHUAQJY-QGZVFWFLSA-N 0 3 357.410 2.913 20 5 FFBDHN CCc1ccccc1[C@H](N)CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000418654287 513595021 /nfs/dbraw/zinc/59/50/21/513595021.db2.gz POMJOCQOIXJMSO-QGZVFWFLSA-N 0 3 356.426 2.999 20 5 FFBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CNCCC1(F)F ZINC000418752821 513641137 /nfs/dbraw/zinc/64/11/37/513641137.db2.gz UKMDPSILSRWOTM-CQSZACIVSA-N 0 3 356.373 2.512 20 5 FFBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451298221 513660606 /nfs/dbraw/zinc/66/06/06/513660606.db2.gz VSHXRUJEBKWYDO-QGZVFWFLSA-N 0 3 371.441 2.631 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CCN1Cc1ccccc1 ZINC000430662862 513715592 /nfs/dbraw/zinc/71/55/92/513715592.db2.gz KSFDTVUAOZOSFK-GOEBONIOSA-N 0 3 356.426 2.716 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@@H]3[C@H]3CCC[C@H]3O)o2)cc1 ZINC000451413368 513734478 /nfs/dbraw/zinc/73/44/78/513734478.db2.gz GYWMJTHVVZRYPU-BZUAXINKSA-N 0 3 358.398 2.770 20 5 FFBDHN Cc1cc(S(=O)(=O)N(C)C2CCN(C(C)C)CC2)c(C)cc1[N+](=O)[O-] ZINC000416372312 513738509 /nfs/dbraw/zinc/73/85/09/513738509.db2.gz KHUPOYQCMBUEHN-UHFFFAOYSA-N 0 3 369.487 2.705 20 5 FFBDHN COc1ccc(NC(=O)CN[C@@H]2C[C@H](OC(C)C)C2(C)C)c([N+](=O)[O-])c1 ZINC000451499173 513790109 /nfs/dbraw/zinc/79/01/09/513790109.db2.gz MMHVUUCCXXOWRD-CVEARBPZSA-N 0 3 365.430 2.724 20 5 FFBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3cc(-n4ccnc4)cs3)CC2)n1 ZINC000426005737 513824548 /nfs/dbraw/zinc/82/45/48/513824548.db2.gz YMWROWDMKAGFOA-UHFFFAOYSA-N 0 3 358.427 2.876 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C(C)C)[C@H](CO)C(C)C ZINC000451595804 513856355 /nfs/dbraw/zinc/85/63/55/513856355.db2.gz KWGKPEXQNPDGLO-CRAIPNDOSA-N 0 3 351.447 2.720 20 5 FFBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)CCN(C)C ZINC000420008102 513996199 /nfs/dbraw/zinc/99/61/99/513996199.db2.gz DDLXHGCVSPMJCT-QGZVFWFLSA-N 0 3 369.487 2.529 20 5 FFBDHN CN1CCC[C@H](NC[C@H](O)COc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000451870591 514034809 /nfs/dbraw/zinc/03/48/09/514034809.db2.gz PPJYZCKVEXDTBM-RDJZCZTQSA-N 0 3 371.437 2.895 20 5 FFBDHN COc1cc(CN[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)ccc1[N+](=O)[O-] ZINC000431976404 514056234 /nfs/dbraw/zinc/05/62/34/514056234.db2.gz CTFXCECHQXTSHE-KSSFIOAISA-N 0 3 360.414 2.574 20 5 FFBDHN CCc1ccccc1[C@@H](N)CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000420280497 514070421 /nfs/dbraw/zinc/07/04/21/514070421.db2.gz QJKYATKDVREREC-HNNXBMFYSA-N 0 3 363.439 2.673 20 5 FFBDHN O=[N+]([O-])c1ccccc1CNC[C@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000443995407 514095148 /nfs/dbraw/zinc/09/51/48/514095148.db2.gz MZZOPJHXMFGJCX-GFCCVEGCSA-N 0 3 354.328 2.953 20 5 FFBDHN O=[N+]([O-])c1ccc(CNC[C@@H](CO)Cc2cc(F)c(F)c(F)c2)cc1 ZINC000443998792 514095410 /nfs/dbraw/zinc/09/54/10/514095410.db2.gz WPDBCBDMVISEJH-ZDUSSCGKSA-N 0 3 354.328 2.953 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@]3(CCSC3)C2)c1 ZINC000451963699 514098569 /nfs/dbraw/zinc/09/85/69/514098569.db2.gz IURGVNBELQKNLI-DOTOQJQBSA-N 0 3 352.456 2.554 20 5 FFBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000449238208 514126566 /nfs/dbraw/zinc/12/65/66/514126566.db2.gz FQJUXRREQOIODC-RHSMWYFYSA-N 0 3 354.410 2.706 20 5 FFBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000449240673 514126615 /nfs/dbraw/zinc/12/66/15/514126615.db2.gz OHLGMOJPIUNIJB-YJBOKZPZSA-N 0 3 368.437 2.702 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1CNCCn1cc(Br)ccc1=O ZINC000449381438 514187929 /nfs/dbraw/zinc/18/79/29/514187929.db2.gz YVROXIRAPMXLDB-UHFFFAOYSA-N 0 3 366.215 2.617 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3CCCCN3CCO)o2)cc1 ZINC000449389037 514191068 /nfs/dbraw/zinc/19/10/68/514191068.db2.gz BQGZXOMBOVSSHI-QGZVFWFLSA-N 0 3 359.426 2.791 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N(CCN(C)C)Cc1cccs1 ZINC000427374357 514196786 /nfs/dbraw/zinc/19/67/86/514196786.db2.gz AYVXSAUSWRECNC-UHFFFAOYSA-N 0 3 363.439 2.869 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000414656072 514225690 /nfs/dbraw/zinc/22/56/90/514225690.db2.gz MHSXAOVWDDDUGG-LSDHHAIUSA-N 0 3 356.382 2.562 20 5 FFBDHN O=C(Nc1cccc(CN2CCC(O)CC2)c1)c1ccc([N+](=O)[O-])s1 ZINC000444453982 514234488 /nfs/dbraw/zinc/23/44/88/514234488.db2.gz LGNAUYCRBVBASM-UHFFFAOYSA-N 0 3 361.423 2.865 20 5 FFBDHN CN(C)C(=O)[C@@H]1CC[C@H](CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)O1 ZINC000417313554 514288237 /nfs/dbraw/zinc/28/82/37/514288237.db2.gz WNSKIGSSMHNOCE-NJAFHUGGSA-N 0 3 361.442 2.588 20 5 FFBDHN CN(C)C(=O)[C@@H]1CC[C@@H](CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)O1 ZINC000417313556 514288771 /nfs/dbraw/zinc/28/87/71/514288771.db2.gz WNSKIGSSMHNOCE-SZMVWBNQSA-N 0 3 361.442 2.588 20 5 FFBDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000452345836 514297627 /nfs/dbraw/zinc/29/76/27/514297627.db2.gz SJOSYAGXOMLRKO-HNNXBMFYSA-N 0 3 351.422 2.903 20 5 FFBDHN COc1cc(C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)cc([N+](=O)[O-])c1C ZINC000424026960 514348316 /nfs/dbraw/zinc/34/83/16/514348316.db2.gz LSQRNKHYNWNJHZ-GOEBONIOSA-N 0 3 373.384 2.618 20 5 FFBDHN CN(C)Cc1ccccc1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000433223809 514428220 /nfs/dbraw/zinc/42/82/20/514428220.db2.gz SYPKMFROLYMCKE-UHFFFAOYSA-N 0 3 368.437 2.619 20 5 FFBDHN CCN1CC[C@H](N(C)C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000449973935 514448746 /nfs/dbraw/zinc/44/87/46/514448746.db2.gz SYSMDXLAEWFQEE-ZBFHGGJFSA-N 0 3 361.442 2.889 20 5 FFBDHN CCc1ccc([C@@H](CNc2cccc(C(N)=O)c2[N+](=O)[O-])N(C)C)cc1 ZINC000439137080 514499192 /nfs/dbraw/zinc/49/91/92/514499192.db2.gz ZMWGERWCMOVXGV-QGZVFWFLSA-N 0 3 356.426 2.971 20 5 FFBDHN CCOc1cc(N2CCN(C[C@@H]3CCSC3)CC2)ccc1[N+](=O)[O-] ZINC000475513124 514697212 /nfs/dbraw/zinc/69/72/12/514697212.db2.gz QWZZOPMWZPBXQZ-AWEZNQCLSA-N 0 3 351.472 2.869 20 5 FFBDHN CN(C)C[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000484692274 514750280 /nfs/dbraw/zinc/75/02/80/514750280.db2.gz BCCKZEMCFSFGIR-GOSISDBHSA-N 0 3 374.416 2.879 20 5 FFBDHN CNC(=O)[C@@H]1CCC[C@H]1NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000498362948 514881869 /nfs/dbraw/zinc/88/18/69/514881869.db2.gz HQTRDXIFFJZDIR-GDBMZVCRSA-N 0 3 373.409 2.868 20 5 FFBDHN CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000509354592 515139462 /nfs/dbraw/zinc/13/94/62/515139462.db2.gz KTCNFVBSCLQRKL-QGZVFWFLSA-N 0 3 356.426 2.953 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CC[NH+](C)C)C(C)(C)C)c1C ZINC000480968227 515154635 /nfs/dbraw/zinc/15/46/35/515154635.db2.gz ZOTRPCKMLIREPC-OAHLLOKOSA-N 0 3 371.503 2.856 20 5 FFBDHN CNc1c(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)cccc1[N+](=O)[O-] ZINC000462927943 515302583 /nfs/dbraw/zinc/30/25/83/515302583.db2.gz UNSVPPZRCRUFLL-KRWDZBQOSA-N 0 3 356.426 2.978 20 5 FFBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000468490455 515385925 /nfs/dbraw/zinc/38/59/25/515385925.db2.gz ZXTBTQNSHCLIJL-HNNXBMFYSA-N 0 3 374.445 2.528 20 5 FFBDHN CC[C@H]1CCCCN1CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000499724386 515428707 /nfs/dbraw/zinc/42/87/07/515428707.db2.gz RLDXMNBQZNKADM-INIZCTEOSA-N 0 3 371.441 2.775 20 5 FFBDHN C[C@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCCCCC1 ZINC000510180947 515460565 /nfs/dbraw/zinc/46/05/65/515460565.db2.gz NTLYGKREDCQHND-MRXNPFEDSA-N 0 3 360.458 2.508 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCCN(C(C)C)C(C)C ZINC000481954246 515527457 /nfs/dbraw/zinc/52/74/57/515527457.db2.gz APTSDFDPCBWVLU-UHFFFAOYSA-N 0 3 357.476 2.609 20 5 FFBDHN CNc1nc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000454512879 515542393 /nfs/dbraw/zinc/54/23/93/515542393.db2.gz CXKYCLAHBBYAKB-MRXNPFEDSA-N 0 3 369.425 2.598 20 5 FFBDHN CN(C)CCOc1ccccc1CNc1nc2sccn2c1[N+](=O)[O-] ZINC000477659531 515544704 /nfs/dbraw/zinc/54/47/04/515544704.db2.gz JOXUNDDKXUNYAM-UHFFFAOYSA-N 0 3 361.427 2.857 20 5 FFBDHN COc1cc(CN2CCN(C)[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000505592544 515600639 /nfs/dbraw/zinc/60/06/39/515600639.db2.gz TUGKJRPHZSOTBQ-NWDGAFQWSA-N 0 3 373.400 2.772 20 5 FFBDHN COc1cc(CNC[C@]2(C)CCCO2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493687781 515655712 /nfs/dbraw/zinc/65/57/12/515655712.db2.gz NFKQGMRUEFQONN-INIZCTEOSA-N 0 3 360.357 2.906 20 5 FFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@@H]1C ZINC000493891583 515679094 /nfs/dbraw/zinc/67/90/94/515679094.db2.gz OEJLICDPQHHOSB-GJZGRUSLSA-N 0 3 369.487 2.705 20 5 FFBDHN C[C@H](NC1(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CCOCC1)c1ccccc1 ZINC000500481214 515732896 /nfs/dbraw/zinc/73/28/96/515732896.db2.gz UYDMBEHIKHAERM-AWEZNQCLSA-N 0 3 372.425 2.553 20 5 FFBDHN CC[NH+](CC)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)CC(C)C ZINC000469251787 515742394 /nfs/dbraw/zinc/74/23/94/515742394.db2.gz WSGVIVXKQPZOPL-LBPRGKRZSA-N 0 3 363.505 2.691 20 5 FFBDHN O=C(NCCN1CCCCC1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494198938 515762326 /nfs/dbraw/zinc/76/23/26/515762326.db2.gz RDJDYCMVNAYFLL-UHFFFAOYSA-N 0 3 374.363 2.899 20 5 FFBDHN CC(C)c1ccc(C(=O)NC[C@@]2(N(C)C)CCSC2)cc1[N+](=O)[O-] ZINC000473857879 515779759 /nfs/dbraw/zinc/77/97/59/515779759.db2.gz IDJWYOMGAJKRAE-KRWDZBQOSA-N 0 3 351.472 2.885 20 5 FFBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000494386542 515826880 /nfs/dbraw/zinc/82/68/80/515826880.db2.gz NRJHDLZJNSYKCA-OZVIIMIRSA-N 0 3 350.394 2.928 20 5 FFBDHN CN(CCN1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1)Cc1ccccc1 ZINC000511436601 515905053 /nfs/dbraw/zinc/90/50/53/515905053.db2.gz KMYSHQKKDLFVRL-UHFFFAOYSA-N 0 3 372.444 2.988 20 5 FFBDHN COC(=O)COc1ccc(CNC[C@]2(C)CCCS2)cc1[N+](=O)[O-] ZINC000474344944 516003891 /nfs/dbraw/zinc/00/38/91/516003891.db2.gz DVZXSHZLVOOIDS-INIZCTEOSA-N 0 3 354.428 2.522 20 5 FFBDHN C[C@@H](CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])N(C)C1CC1 ZINC000487895221 516023989 /nfs/dbraw/zinc/02/39/89/516023989.db2.gz JXRWGBTUAAIPBI-NSHDSACASA-N 0 3 354.838 2.573 20 5 FFBDHN C[C@@H](c1ccccc1)N1CC[C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000507003302 516050308 /nfs/dbraw/zinc/05/03/08/516050308.db2.gz VRQGWRJIGPKUSX-XJKSGUPXSA-N 0 3 354.410 2.941 20 5 FFBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000507283253 516155300 /nfs/dbraw/zinc/15/53/00/516155300.db2.gz UIRVHUMDEPEKHC-CYBMUJFWSA-N 0 3 369.487 2.692 20 5 FFBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000470170583 516160799 /nfs/dbraw/zinc/16/07/99/516160799.db2.gz XLDKBAZJJWKQKN-XOQYZJNISA-N 0 3 373.453 2.569 20 5 FFBDHN CNC(=O)CCOC1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000470179929 516166286 /nfs/dbraw/zinc/16/62/86/516166286.db2.gz FNQBODOQZXODTE-QINSGFPZSA-N 0 3 361.442 2.615 20 5 FFBDHN C[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])N1CCCC1 ZINC000531190286 516339109 /nfs/dbraw/zinc/33/91/09/516339109.db2.gz IUFZHTZZWFYYFE-JTQLQIEISA-N 0 3 356.220 2.571 20 5 FFBDHN O=[N+]([O-])c1cccc(N2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)c1 ZINC000550681065 516382653 /nfs/dbraw/zinc/38/26/53/516382653.db2.gz SUXVUJODGMNSLV-OAQYLSRUSA-N 0 3 366.465 2.991 20 5 FFBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@@H](C)C1 ZINC000558022811 516555667 /nfs/dbraw/zinc/55/56/67/516555667.db2.gz JOASVHSDNGZAEJ-LXIYXOSZSA-N 0 3 356.426 2.878 20 5 FFBDHN C[C@@H](CN(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000558025874 516559240 /nfs/dbraw/zinc/55/92/40/516559240.db2.gz MPATXPHQRDQASZ-AWEZNQCLSA-N 0 3 356.426 2.887 20 5 FFBDHN C[C@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCN(C2CCC2)C1 ZINC000561536044 516637816 /nfs/dbraw/zinc/63/78/16/516637816.db2.gz ROESXQGJHISUEN-OAHLLOKOSA-N 0 3 370.453 2.882 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2CCCCN2C2CC2)c1 ZINC000540689996 516669426 /nfs/dbraw/zinc/66/94/26/516669426.db2.gz IWTHSLXCPQOMBM-MRXNPFEDSA-N 0 3 361.442 2.805 20 5 FFBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000518462265 516670938 /nfs/dbraw/zinc/67/09/38/516670938.db2.gz XWTVORWYCAUNKQ-CABCVRRESA-N 0 3 371.441 2.631 20 5 FFBDHN O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1CCCN1Cc1ccccc1 ZINC000513571770 516676245 /nfs/dbraw/zinc/67/62/45/516676245.db2.gz GWJCFYONJQMVDO-QGZVFWFLSA-N 0 3 368.437 2.788 20 5 FFBDHN COc1ccc(CC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000536262951 516700594 /nfs/dbraw/zinc/70/05/94/516700594.db2.gz JGHNCNIQONLFBD-UZLBHIALSA-N 0 3 369.421 2.708 20 5 FFBDHN C[C@H](CNc1ncnc2cccc([N+](=O)[O-])c21)N(C)Cc1ccccc1 ZINC000544395652 516741703 /nfs/dbraw/zinc/74/17/03/516741703.db2.gz GXILYSQMTYGYGR-CQSZACIVSA-N 0 3 351.410 2.892 20 5 FFBDHN CCN1CC[C@H](N(C)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C ZINC000524617633 516770206 /nfs/dbraw/zinc/77/02/06/516770206.db2.gz BPSSAQRVMOCSSG-CABCVRRESA-N 0 3 371.441 2.725 20 5 FFBDHN CCN1CCC[C@H]1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000518883342 516807343 /nfs/dbraw/zinc/80/73/43/516807343.db2.gz FKDGRCLEWAVVKL-AAEUAGOBSA-N 0 3 355.822 2.616 20 5 FFBDHN C[C@H](CCc1ccccc1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544569247 516817751 /nfs/dbraw/zinc/81/77/51/516817751.db2.gz ILGREWMGNCSXFU-OAHLLOKOSA-N 0 3 362.451 2.979 20 5 FFBDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514208514 516904293 /nfs/dbraw/zinc/90/42/93/516904293.db2.gz MSWZHLFAPCCUSS-LBPRGKRZSA-N 0 3 369.368 2.943 20 5 FFBDHN COc1cc(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000525560308 517076491 /nfs/dbraw/zinc/07/64/91/517076491.db2.gz NVINIKZMKHEPLM-STQMWFEESA-N 0 3 365.430 2.605 20 5 FFBDHN COCCN1CCC(Nc2ncc([N+](=O)[O-])c(C)c2Br)CC1 ZINC000541576285 517121561 /nfs/dbraw/zinc/12/15/61/517121561.db2.gz CYHJKAVPMYWOPO-UHFFFAOYSA-N 0 3 373.251 2.583 20 5 FFBDHN COc1ccc(CNC(=O)NC[C@@H](C)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000520071509 517268220 /nfs/dbraw/zinc/26/82/20/517268220.db2.gz NZPOKKIKPXZOHH-CQSZACIVSA-N 0 3 364.446 2.523 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN(C)C1CCCCC1 ZINC000520124032 517279664 /nfs/dbraw/zinc/27/96/64/517279664.db2.gz SKRKZADDEVWNOT-UHFFFAOYSA-N 0 3 369.487 2.700 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000552513151 517290428 /nfs/dbraw/zinc/29/04/28/517290428.db2.gz ILTQCICOILRBLE-CRAIPNDOSA-N 0 3 360.385 2.963 20 5 FFBDHN O=C(CN[C@@H](CO)C1CCCCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000541980089 517320571 /nfs/dbraw/zinc/32/05/71/517320571.db2.gz BUEHTNUNXOIWFH-AWEZNQCLSA-N 0 3 355.822 2.718 20 5 FFBDHN CCc1ccc([C@@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])N(CC)CC)cc1 ZINC000556321815 517369634 /nfs/dbraw/zinc/36/96/34/517369634.db2.gz IBSGQVKQUSLAJH-MRXNPFEDSA-N 0 3 359.430 2.693 20 5 FFBDHN COc1cc(OCC(=O)Nc2ccccc2CN(C)C)ccc1[N+](=O)[O-] ZINC000552924050 517444450 /nfs/dbraw/zinc/44/44/50/517444450.db2.gz YWACYGQSDZOMPB-UHFFFAOYSA-N 0 3 359.382 2.683 20 5 FFBDHN C[C@@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@H](C)S1 ZINC000533428223 517459242 /nfs/dbraw/zinc/45/92/42/517459242.db2.gz HORTZZVBUADNPY-TXEJJXNPSA-N 0 3 351.428 2.719 20 5 FFBDHN CC(C)Oc1nc(N(CCN(C)C)Cc2ccccn2)ccc1[N+](=O)[O-] ZINC000516088212 517560257 /nfs/dbraw/zinc/56/02/57/517560257.db2.gz JYDWWAHJXIHJSZ-UHFFFAOYSA-N 0 3 359.430 2.740 20 5 FFBDHN CCCCN1CCCC[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000546176765 517583164 /nfs/dbraw/zinc/58/31/64/517583164.db2.gz QWUBAQNVVGQYDB-HNNXBMFYSA-N 0 3 355.460 2.528 20 5 FFBDHN CN(C)c1nccc(CN[C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000538409841 517609732 /nfs/dbraw/zinc/60/97/32/517609732.db2.gz YWTVFSXTNICNCT-RHSMWYFYSA-N 0 3 355.442 2.952 20 5 FFBDHN O=C(CNC1(C2CC2)CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000542520415 517609743 /nfs/dbraw/zinc/60/97/43/517609743.db2.gz DBUMWRCDXURFJY-UHFFFAOYSA-N 0 3 354.204 2.828 20 5 FFBDHN Cc1cc(N2C[C@H](N3CCOCC3)C[C@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000553264228 517611798 /nfs/dbraw/zinc/61/17/98/517611798.db2.gz ILTWQBYCSMPYHP-GDBMZVCRSA-N 0 3 356.426 2.751 20 5 FFBDHN C[C@H]1C[C@H](N(C)C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000546540141 517716270 /nfs/dbraw/zinc/71/62/70/517716270.db2.gz SRKHJYDXAPSIHT-QWHCGFSZSA-N 0 3 351.422 2.953 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@H](c2ccccc2F)C1 ZINC000549813500 517723021 /nfs/dbraw/zinc/72/30/21/517723021.db2.gz OZIGVOJUDQLXLP-CABCVRRESA-N 0 3 360.385 2.963 20 5 FFBDHN COc1cc(CNC[C@]2(O)CCC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000556958061 517773920 /nfs/dbraw/zinc/77/39/20/517773920.db2.gz CAGVBDKRAXSXJI-APPDUMDISA-N 0 3 374.384 2.888 20 5 FFBDHN CCOc1cc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)ccc1[N+](=O)[O-] ZINC000538937460 517853715 /nfs/dbraw/zinc/85/37/15/517853715.db2.gz IQFLLROWCMTRFT-QGZVFWFLSA-N 0 3 362.474 2.598 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2ccc(OC(F)F)cc2)c1 ZINC000550085742 517855383 /nfs/dbraw/zinc/85/53/83/517855383.db2.gz NRYQLLAWLOPYFO-AWEZNQCLSA-N 0 3 368.336 2.726 20 5 FFBDHN C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)N(C)Cc1ccccc1 ZINC000521955520 517917876 /nfs/dbraw/zinc/91/78/76/517917876.db2.gz LALPOWXRCMIEMM-ZDUSSCGKSA-N 0 3 371.393 2.574 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@H](COc2ccccc2)C1 ZINC000543185951 517954774 /nfs/dbraw/zinc/95/47/74/517954774.db2.gz BKOBWQLZFRATCT-DLBZAZTESA-N 0 3 372.421 2.735 20 5 FFBDHN CCc1ccc([C@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)N(CC)CC)cc1 ZINC000554220378 518110379 /nfs/dbraw/zinc/11/03/79/518110379.db2.gz QCRGIMDOIKHCBY-KRWDZBQOSA-N 0 3 373.457 2.553 20 5 FFBDHN COc1ccc(C(=O)N[C@H](CN(C)C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000569613128 518206954 /nfs/dbraw/zinc/20/69/54/518206954.db2.gz CLOMIUKSSXGAMO-OAHLLOKOSA-N 0 3 361.373 2.775 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000564132036 518317875 /nfs/dbraw/zinc/31/78/75/518317875.db2.gz ZMKUHRGIMXWUFE-UZLBHIALSA-N 0 3 368.437 2.877 20 5 FFBDHN Cc1cccc(O[C@H](C)CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000575981317 518371105 /nfs/dbraw/zinc/37/11/05/518371105.db2.gz GJJNSDFJMJQMTG-WBVHZDCISA-N 0 3 360.410 2.700 20 5 FFBDHN Cc1cccc(OC[C@H](C)NC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000584524917 518383704 /nfs/dbraw/zinc/38/37/04/518383704.db2.gz NCDORYRLFLDHHC-JKSUJKDBSA-N 0 3 360.410 2.700 20 5 FFBDHN CNC(=O)COc1cccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000582019119 518548739 /nfs/dbraw/zinc/54/87/39/518548739.db2.gz ZOPNPZQHBXLZEF-LJQANCHMSA-N 0 3 369.421 2.887 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC2CCN(CCOC(C)C)CC2)c1 ZINC000582082370 518580022 /nfs/dbraw/zinc/58/00/22/518580022.db2.gz HZHIVZAMMLYGIC-UHFFFAOYSA-N 0 3 365.430 2.683 20 5 FFBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC(=O)NCCN1CCCCCC1 ZINC000564718947 518580688 /nfs/dbraw/zinc/58/06/88/518580688.db2.gz UJBDMZMDCLXXSX-GHRIWEEISA-N 0 3 374.485 2.580 20 5 FFBDHN CCC[C@H](NC[C@@H]1CCCCN1S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000579264494 518599147 /nfs/dbraw/zinc/59/91/47/518599147.db2.gz STGHUENZEXIEOM-IRXDYDNUSA-N 0 3 369.487 2.840 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2CCc3c2ccc(Cl)c3Cl)c1 ZINC000576512258 518628228 /nfs/dbraw/zinc/62/82/28/518628228.db2.gz RYAXMVGIGLPXLI-QMTHXVAHSA-N 0 3 371.224 2.736 20 5 FFBDHN CC(C)N1CCN(C2CCN(c3c(F)cccc3[N+](=O)[O-])CC2)CC1 ZINC000588008526 518699216 /nfs/dbraw/zinc/69/92/16/518699216.db2.gz QHJOKXALRCILEM-UHFFFAOYSA-N 0 3 350.438 2.729 20 5 FFBDHN COc1ccccc1[C@]1(C)C[C@@H]1NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000582481636 518774341 /nfs/dbraw/zinc/77/43/41/518774341.db2.gz BZCOKJMRTRCOAF-UAOJZALGSA-N 0 3 372.421 2.663 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000588771280 518825653 /nfs/dbraw/zinc/82/56/53/518825653.db2.gz QVYRHTPJOAYVRA-KSSFIOAISA-N 0 3 369.421 2.996 20 5 FFBDHN CCOc1ccc(C(=O)N2CCN(C3CCC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000582623515 518843717 /nfs/dbraw/zinc/84/37/17/518843717.db2.gz JTOHZOALBUMQFW-AWEZNQCLSA-N 0 3 361.442 2.940 20 5 FFBDHN CN(C(=O)C1CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])nc1 ZINC000588984667 518888893 /nfs/dbraw/zinc/88/88/93/518888893.db2.gz LWWXDBBHDAQFTG-UHFFFAOYSA-N 0 3 354.410 2.865 20 5 FFBDHN COC(=O)COc1ccc(CN(C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000589183724 518944691 /nfs/dbraw/zinc/94/46/91/518944691.db2.gz JWFYYHPZVOMDRI-UHFFFAOYSA-N 0 3 358.394 2.821 20 5 FFBDHN CCOC(=O)c1cc(C(=O)Nc2ccc3c(c2)CNCC3)cc([N+](=O)[O-])c1 ZINC000571162686 518957403 /nfs/dbraw/zinc/95/74/03/518957403.db2.gz DJXVYUHXQHETGB-UHFFFAOYSA-N 0 3 369.377 2.670 20 5 FFBDHN CC(C)N(C)c1ccccc1CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000571199071 518974916 /nfs/dbraw/zinc/97/49/16/518974916.db2.gz PIKFDWKGJXVTGI-QGZVFWFLSA-N 0 3 373.453 2.969 20 5 FFBDHN O=C(Nc1cccc2c1CCNC2)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000568369972 519006648 /nfs/dbraw/zinc/00/66/48/519006648.db2.gz LWKHRFRFSXSESR-UHFFFAOYSA-N 0 3 368.393 2.667 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCN(CCC(C)(C)C)CC2)c1 ZINC000589497206 519018545 /nfs/dbraw/zinc/01/85/45/519018545.db2.gz HHRGPAXNDZICMJ-UHFFFAOYSA-N 0 3 363.458 2.935 20 5 FFBDHN CN(C)CCN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@H]1CCCO1 ZINC000577442865 519079191 /nfs/dbraw/zinc/07/91/91/519079191.db2.gz FTCMYZYAECYFSI-OAHLLOKOSA-N 0 3 373.400 2.739 20 5 FFBDHN CCCCN1CCCC[C@@H]1CNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000580357290 519133714 /nfs/dbraw/zinc/13/37/14/519133714.db2.gz AFBYDKFLYDXCEQ-CYBMUJFWSA-N 0 3 350.419 2.843 20 5 FFBDHN CN1CCC[C@@]2(CCN(c3c(Br)cncc3[N+](=O)[O-])C2)C1 ZINC000590141902 519159668 /nfs/dbraw/zinc/15/96/68/519159668.db2.gz HLTHUOCHUXTVGM-CQSZACIVSA-N 0 3 355.236 2.674 20 5 FFBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000590456711 519237833 /nfs/dbraw/zinc/23/78/33/519237833.db2.gz GLTOGPWGMNMRGS-MPGHIAIKSA-N 0 3 360.458 2.586 20 5 FFBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000590456709 519237882 /nfs/dbraw/zinc/23/78/82/519237882.db2.gz GLTOGPWGMNMRGS-DAYGRLMNSA-N 0 3 360.458 2.586 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000571875178 519321750 /nfs/dbraw/zinc/32/17/50/519321750.db2.gz YCUPJTCYZWCVMG-LALPHHSUSA-N 0 3 364.348 2.758 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1ccccc1OC(F)F ZINC000578044804 519388636 /nfs/dbraw/zinc/38/86/36/519388636.db2.gz TXRVGQDIHFYXII-ZDUSSCGKSA-N 0 3 368.336 2.726 20 5 FFBDHN COc1ccc2c(c1)CCC[C@@H]2N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000572022895 519403490 /nfs/dbraw/zinc/40/34/90/519403490.db2.gz ACAVIRGYTQTKEJ-SFHVURJKSA-N 0 3 357.410 2.775 20 5 FFBDHN Cc1c(C(=O)N(C)CCCN(C)Cc2ccncc2)cccc1[N+](=O)[O-] ZINC000574933030 519411919 /nfs/dbraw/zinc/41/19/19/519411919.db2.gz YMOSYUCWNZUIED-UHFFFAOYSA-N 0 3 356.426 2.892 20 5 FFBDHN CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C1CC1)[C@H]1CCN(C2CC2)C1 ZINC000580899203 519416226 /nfs/dbraw/zinc/41/62/26/519416226.db2.gz YYUPMAPCIXPLLM-KRWDZBQOSA-N 0 3 368.441 2.861 20 5 FFBDHN CN1CCN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1Cc1ccccc1 ZINC000566564339 519554493 /nfs/dbraw/zinc/55/44/93/519554493.db2.gz OPFOFJRQQRLBIO-LJQANCHMSA-N 0 3 355.438 2.832 20 5 FFBDHN O=C(Nc1cnc2c(c1)CNCC2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000591310919 519586121 /nfs/dbraw/zinc/58/61/21/519586121.db2.gz QVPTUHJSGONJCN-UHFFFAOYSA-N 0 3 367.409 2.832 20 5 FFBDHN Cc1ccc([C@@H](C)NC(=O)Nc2cnc3c(c2)CNCC3)cc1[N+](=O)[O-] ZINC000591310733 519586291 /nfs/dbraw/zinc/58/62/91/519586291.db2.gz GSPPBFJHGWQNLF-GFCCVEGCSA-N 0 3 355.398 2.827 20 5 FFBDHN Cc1c(Br)c(Nc2cnn(CCN(C)C)c2)ncc1[N+](=O)[O-] ZINC000612442119 519961707 /nfs/dbraw/zinc/96/17/07/519961707.db2.gz INBMHRYYZRWDPV-UHFFFAOYSA-N 0 3 369.223 2.562 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000602917409 519970673 /nfs/dbraw/zinc/97/06/73/519970673.db2.gz ALHAUOOFYJJGMR-ZBFHGGJFSA-N 0 3 350.806 2.873 20 5 FFBDHN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC(N2CCCOCC2)CC1 ZINC000600008439 519999880 /nfs/dbraw/zinc/99/98/80/519999880.db2.gz PJXFXSSKZWDNNE-UHFFFAOYSA-N 0 3 367.833 2.575 20 5 FFBDHN COc1cccc2c1OC[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000591733857 520016425 /nfs/dbraw/zinc/01/64/25/520016425.db2.gz VVUBNOFQDRGOOI-CQSZACIVSA-N 0 3 371.393 2.525 20 5 FFBDHN Cc1cccc(CC2CN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000612677950 520086091 /nfs/dbraw/zinc/08/60/91/520086091.db2.gz MRCCPKFKCDRNTE-LJQANCHMSA-N 0 3 356.422 2.817 20 5 FFBDHN CC[C@H]1CN(C)CCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000597605702 520132019 /nfs/dbraw/zinc/13/20/19/520132019.db2.gz SAGQLQMGLWTENS-LBPRGKRZSA-N 0 3 357.357 2.753 20 5 FFBDHN O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H]1CCN1C1CCCCC1 ZINC000600229408 520140697 /nfs/dbraw/zinc/14/06/97/520140697.db2.gz ROFTXYCIJYHAAF-INIZCTEOSA-N 0 3 360.458 2.920 20 5 FFBDHN Cc1cc(OCC(=O)NC[C@@H]2CCN2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000600230519 520141297 /nfs/dbraw/zinc/14/12/97/520141297.db2.gz SYJKABQTDKJHJP-INIZCTEOSA-N 0 3 361.442 2.805 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1C ZINC000594788952 520158497 /nfs/dbraw/zinc/15/84/97/520158497.db2.gz INZKRDIATRFDKZ-AWEZNQCLSA-N 0 3 369.487 2.610 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1C ZINC000594788952 520158506 /nfs/dbraw/zinc/15/85/06/520158506.db2.gz INZKRDIATRFDKZ-AWEZNQCLSA-N 0 3 369.487 2.610 20 5 FFBDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000597709984 520190718 /nfs/dbraw/zinc/19/07/18/520190718.db2.gz FQCLIXFMUBGSCH-QGZVFWFLSA-N 0 3 369.368 2.754 20 5 FFBDHN Cc1ccc(S(=O)(=O)N[C@@H]2CCN(C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000594854455 520191220 /nfs/dbraw/zinc/19/12/20/520191220.db2.gz LGSIZZJMXMHDAO-CQSZACIVSA-N 0 3 367.471 2.589 20 5 FFBDHN CN(C)CCN(CC1CCCCC1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000609166773 520217549 /nfs/dbraw/zinc/21/75/49/520217549.db2.gz LIHOFYNMMFQBMV-UHFFFAOYSA-N 0 3 363.458 2.944 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@H]1CCN1Cc1ccccc1)OCCO2 ZINC000594998941 520250096 /nfs/dbraw/zinc/25/00/96/520250096.db2.gz MLSGKUPOKPZIBG-QGZVFWFLSA-N 0 3 369.421 2.730 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CCO[C@@H](c2ccnn2C)C1 ZINC000595051833 520270387 /nfs/dbraw/zinc/27/03/87/520270387.db2.gz OSKVDYQBJCTULI-VEVIJQCQSA-N 0 3 360.414 2.908 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000609354817 520293364 /nfs/dbraw/zinc/29/33/64/520293364.db2.gz LSFOHGKDQMZRCX-CHWSQXEVSA-N 0 3 350.419 2.988 20 5 FFBDHN O=C1N(CCN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@H]2CCCCN12 ZINC000595102113 520294458 /nfs/dbraw/zinc/29/44/58/520294458.db2.gz JUAWXRAKGVASRS-AEFFLSMTSA-N 0 3 358.442 2.852 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)cc1SC ZINC000597922667 520325264 /nfs/dbraw/zinc/32/52/64/520325264.db2.gz KKCHHRDRYKNFCQ-LLVKDONJSA-N 0 3 367.471 2.928 20 5 FFBDHN COc1cc(CN[C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1O ZINC000592378491 520359638 /nfs/dbraw/zinc/35/96/38/520359638.db2.gz APJJLSYDTQCISF-WCQYABFASA-N 0 3 366.414 2.909 20 5 FFBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000595257188 520377144 /nfs/dbraw/zinc/37/71/44/520377144.db2.gz IEPQYXSNYMXWRR-QGZVFWFLSA-N 0 3 371.393 2.907 20 5 FFBDHN CCN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCN(CC)C1 ZINC000598040314 520388944 /nfs/dbraw/zinc/38/89/44/520388944.db2.gz OUUDFTOSPCUJAC-AWEZNQCLSA-N 0 3 369.849 2.960 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)ccc1CN1CCCN(C[C@@H]2CCCO2)CC1 ZINC000609710623 520412319 /nfs/dbraw/zinc/41/23/19/520412319.db2.gz CEHYAVKUXUESEZ-INIZCTEOSA-N 0 3 353.850 2.935 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000600761427 520453181 /nfs/dbraw/zinc/45/31/81/520453181.db2.gz ZBLBHXWGJBLAGF-DUVNUKRYSA-N 0 3 364.348 2.758 20 5 FFBDHN O=[N+]([O-])c1ccc2ncnc(NC[C@H](c3ccco3)N3CCCC3)c2c1 ZINC000609849617 520457079 /nfs/dbraw/zinc/45/70/79/520457079.db2.gz RWILJYPGKILLRN-MRXNPFEDSA-N 0 3 353.382 2.802 20 5 FFBDHN Cc1c(NC(=O)[C@H](C)N[C@@H](CO)[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000613389179 520478448 /nfs/dbraw/zinc/47/84/48/520478448.db2.gz KHAFNDDJALRQHU-XUWXXGDYSA-N 0 3 371.437 2.984 20 5 FFBDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000598195957 520487145 /nfs/dbraw/zinc/48/71/45/520487145.db2.gz XSIRHTZOMYREQK-MRXNPFEDSA-N 0 3 368.437 2.566 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000595464749 520489074 /nfs/dbraw/zinc/48/90/74/520489074.db2.gz DIUDFFJWFABMTF-AWEZNQCLSA-N 0 3 364.446 2.523 20 5 FFBDHN C[C@H](CN1CCC(C)CC1)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000598262891 520527719 /nfs/dbraw/zinc/52/77/19/520527719.db2.gz NKZDNDOAGNDBFR-CQSZACIVSA-N 0 3 358.442 2.855 20 5 FFBDHN CN(C)CCOc1ccc(CNC(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000601035442 520607403 /nfs/dbraw/zinc/60/74/03/520607403.db2.gz VJYLXYLSWGLSEW-UHFFFAOYSA-N 0 3 361.373 2.604 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](CO)[C@H](C)c2ccccc2)c1 ZINC000593024422 520691623 /nfs/dbraw/zinc/69/16/23/520691623.db2.gz DOHYXWWECRHGPD-DYVFJYSZSA-N 0 3 358.394 2.636 20 5 FFBDHN O=[N+]([O-])c1ccc(N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1C(F)(F)F ZINC000610468602 520703548 /nfs/dbraw/zinc/70/35/48/520703548.db2.gz QRUVKDOCUCENSM-CABCVRRESA-N 0 3 359.348 2.649 20 5 FFBDHN Cn1cc(C[C@@H]2CCC[C@H]2NCc2nc3cc([N+](=O)[O-])ccc3o2)cn1 ZINC000595772430 520713599 /nfs/dbraw/zinc/71/35/99/520713599.db2.gz SSIRWKCVNDLLFC-DZGCQCFKSA-N 0 3 355.398 2.971 20 5 FFBDHN CC(C)(C)O[C@H]1C[C@@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C12CCC2 ZINC000595779126 520717648 /nfs/dbraw/zinc/71/76/48/520717648.db2.gz ZKUJSPPKMSVNDN-CVEARBPZSA-N 0 3 361.442 2.910 20 5 FFBDHN COC(=O)c1ccnc(N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000598613956 520743314 /nfs/dbraw/zinc/74/33/14/520743314.db2.gz ZYUOWPVQFKBJDM-UKRRQHHQSA-N 0 3 370.409 2.851 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CN[C@H]1CCO[C@@]3(CCSC3)C1)OCCO2 ZINC000610890040 520895403 /nfs/dbraw/zinc/89/54/03/520895403.db2.gz UYMJCDOUVDRAAB-GUYCJALGSA-N 0 3 366.439 2.510 20 5 FFBDHN CN1CCC2(CC1)C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccccc1O2 ZINC000610899536 520898130 /nfs/dbraw/zinc/89/81/30/520898130.db2.gz ZELVLEVDAJILIJ-INIZCTEOSA-N 0 3 370.409 2.641 20 5 FFBDHN CC1(C)CN(C2(CNc3cc[nH]c(=O)c3[N+](=O)[O-])CCCCC2)CCO1 ZINC000596118703 520923931 /nfs/dbraw/zinc/92/39/31/520923931.db2.gz AURKDDBRYXWNGZ-UHFFFAOYSA-N 0 3 364.446 2.921 20 5 FFBDHN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CN1Cc1ccccc1 ZINC000596163474 520946646 /nfs/dbraw/zinc/94/66/46/520946646.db2.gz VMFJCWQTRWNBFJ-CJNGLKHVSA-N 0 3 354.410 2.769 20 5 FFBDHN CN(C)[C@@H]1CCOc2c(Nc3ccc([N+](=O)[O-])c(C(N)=O)c3)cccc21 ZINC000596214419 520975040 /nfs/dbraw/zinc/97/50/40/520975040.db2.gz GGXWMMCIXZKPCV-OAHLLOKOSA-N 0 3 356.382 2.823 20 5 FFBDHN Cn1ncc(C(F)(F)F)c1CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000599061842 521006797 /nfs/dbraw/zinc/00/67/97/521006797.db2.gz SJTORSDGOPTBLM-VXGBXAGGSA-N 0 3 372.351 2.817 20 5 FFBDHN O=[N+]([O-])c1c2ccncc2ccc1N1CCC(N2CCCOCC2)CC1 ZINC000599086657 521023504 /nfs/dbraw/zinc/02/35/04/521023504.db2.gz RKNQNMFOCIYMPI-UHFFFAOYSA-N 0 3 356.426 2.834 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CN1CCN(C3CCCCC3)CC1)OCCO2 ZINC000611253818 521060639 /nfs/dbraw/zinc/06/06/39/521060639.db2.gz UGHKJVJCHLVXBK-UHFFFAOYSA-N 0 3 361.442 2.816 20 5 FFBDHN CC(=O)c1ccc(NCc2ccc(CN3CC[C@@H](O)C3)cc2)c([N+](=O)[O-])c1 ZINC000596423633 521063267 /nfs/dbraw/zinc/06/32/67/521063267.db2.gz MZTQXIZECOJUDZ-GOSISDBHSA-N 0 3 369.421 2.976 20 5 FFBDHN COc1cc(OC)c(CNCCOc2ccc([N+](=O)[O-])cc2)cc1F ZINC000593599201 521100421 /nfs/dbraw/zinc/10/04/21/521100421.db2.gz QLRHSZCXGUGKNX-UHFFFAOYSA-N 0 3 350.346 2.920 20 5 FFBDHN Nc1cc(NC[C@H](c2ccco2)N2CCCCC2)cc(CO)c1[N+](=O)[O-] ZINC000611525050 521200939 /nfs/dbraw/zinc/20/09/39/521200939.db2.gz GMICYAKSYQATQQ-MRXNPFEDSA-N 0 3 360.414 2.901 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000611537126 521206633 /nfs/dbraw/zinc/20/66/33/521206633.db2.gz VVCKTFCEHVFLFK-GOSISDBHSA-N 0 3 360.414 2.858 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](OC(F)F)C1 ZINC000611577218 521231125 /nfs/dbraw/zinc/23/11/25/521231125.db2.gz GRMWMMWMSVPYRU-LBPRGKRZSA-N 0 3 373.356 2.636 20 5 FFBDHN CC(C)[C@H]1CN(Cc2ccccc2)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000599536954 521282597 /nfs/dbraw/zinc/28/25/97/521282597.db2.gz XQISJULITSBABU-LJQANCHMSA-N 0 3 357.458 2.634 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000596891934 521360713 /nfs/dbraw/zinc/36/07/13/521360713.db2.gz YFNDGUTVPUUATG-CYBMUJFWSA-N 0 3 350.419 2.988 20 5 FFBDHN COc1ccc(CC(=O)N2CCCc3cccc(CN)c32)cc1[N+](=O)[O-] ZINC000602539092 521402495 /nfs/dbraw/zinc/40/24/95/521402495.db2.gz BSKFVSMQWKBLDX-UHFFFAOYSA-N 0 3 355.394 2.584 20 5 FFBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000594200289 521466511 /nfs/dbraw/zinc/46/65/11/521466511.db2.gz KMSQHOWGEBEMOB-JKSUJKDBSA-N 0 3 369.425 2.527 20 5 FFBDHN Cc1nccnc1CCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602674820 521472759 /nfs/dbraw/zinc/47/27/59/521472759.db2.gz DTGPVJGOSLZSPQ-UHFFFAOYSA-N 0 3 357.233 2.850 20 5 FFBDHN Nc1c(NC(=O)NC[C@@H]2CCN2C2CCCC2)cc(Cl)cc1[N+](=O)[O-] ZINC000599800294 521481604 /nfs/dbraw/zinc/48/16/04/521481604.db2.gz HHCNXHIKNSETFY-LBPRGKRZSA-N 0 3 367.837 2.969 20 5 FFBDHN CC(C)(C)N1CC[C@H]1CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597091138 521496263 /nfs/dbraw/zinc/49/62/63/521496263.db2.gz VSZGUZWDBRZKNH-JTQLQIEISA-N 0 3 355.826 2.825 20 5 FFBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cccc4c3CCOC4)C2)nc1 ZINC000602794753 521536569 /nfs/dbraw/zinc/53/65/69/521536569.db2.gz OXVAXHNQCYHCSP-INIZCTEOSA-N 0 3 354.410 2.749 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000602797074 521538600 /nfs/dbraw/zinc/53/86/00/521538600.db2.gz LNFLDKNCFRWEDB-MRXNPFEDSA-N 0 3 360.389 2.976 20 5 FFBDHN COC(=O)C(C)(C)[C@H](NCCn1c(C)ncc1[N+](=O)[O-])c1ccccc1 ZINC000602806478 521543540 /nfs/dbraw/zinc/54/35/40/521543540.db2.gz UMRYJWNGBBQQAY-MRXNPFEDSA-N 0 3 360.414 2.630 20 5 FFBDHN COC1CCN(CCNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000619527586 521752767 /nfs/dbraw/zinc/75/27/67/521752767.db2.gz YOLOCRDMMNYRFZ-UHFFFAOYSA-N 0 3 374.416 2.741 20 5 FFBDHN CCOC(=O)[C@@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000026218831 535521742 /nfs/dbraw/zinc/52/17/42/535521742.db2.gz OLMJRTMSNPKHKT-CQSZACIVSA-N 0 3 363.414 2.507 20 5 FFBDHN O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823634787 599449986 /nfs/dbraw/zinc/44/99/86/599449986.db2.gz MBWFITLLXUXDKN-UHFFFAOYSA-N 0 3 352.398 2.887 20 5 FFBDHN O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823634787 599449987 /nfs/dbraw/zinc/44/99/87/599449987.db2.gz MBWFITLLXUXDKN-UHFFFAOYSA-N 0 3 352.398 2.887 20 5 FFBDHN C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@@H]1c1ccccc1 ZINC000826028546 607967866 /nfs/dbraw/zinc/96/78/66/607967866.db2.gz CBLQFYPAKILVJE-IRXDYDNUSA-N 0 3 365.397 2.632 20 5 FFBDHN C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@@H]1c1ccccc1 ZINC000826028546 607967867 /nfs/dbraw/zinc/96/78/67/607967867.db2.gz CBLQFYPAKILVJE-IRXDYDNUSA-N 0 3 365.397 2.632 20 5 FFBDHN C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@@H]1c1ccccc1 ZINC000826028546 607967868 /nfs/dbraw/zinc/96/78/68/607967868.db2.gz CBLQFYPAKILVJE-IRXDYDNUSA-N 0 3 365.397 2.632 20 5 FFBDHN C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@@H]1c1ccccc1 ZINC000826028546 607967869 /nfs/dbraw/zinc/96/78/69/607967869.db2.gz CBLQFYPAKILVJE-IRXDYDNUSA-N 0 3 365.397 2.632 20 5 FFBDHN C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824598290 608481017 /nfs/dbraw/zinc/48/10/17/608481017.db2.gz DKQXNJQIWBLPGR-LBPRGKRZSA-N 0 3 354.370 2.505 20 5 FFBDHN C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824598290 608481019 /nfs/dbraw/zinc/48/10/19/608481019.db2.gz DKQXNJQIWBLPGR-LBPRGKRZSA-N 0 3 354.370 2.505 20 5 FFBDHN O=[N+]([O-])c1c[nH]c2ccc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)nc21 ZINC001164724695 720403970 /nfs/dbraw/zinc/40/39/70/720403970.db2.gz KOCZLXGWUSWNIN-HOTGVXAUSA-N 0 3 364.409 2.719 20 5 FFBDHN Cc1cc([N+](=O)[O-])cnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164897257 721511564 /nfs/dbraw/zinc/51/15/64/721511564.db2.gz FNQHHVCHYADCEU-SJLPKXTDSA-N 0 3 372.400 2.779 20 5 FFBDHN COC[C@@H](O)CNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000117947001 728579779 /nfs/dbraw/zinc/57/97/79/728579779.db2.gz BZEMFKZZCHAQKV-AWEZNQCLSA-N 0 3 350.346 2.623 20 5 FFBDHN O=[N+]([O-])c1cc(Br)ccc1NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000252668602 729624875 /nfs/dbraw/zinc/62/48/75/729624875.db2.gz YCAFIDOFSBCMIU-NWDGAFQWSA-N 0 3 356.220 2.632 20 5 FFBDHN CS[C@@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000779351976 738457683 /nfs/dbraw/zinc/45/76/83/738457683.db2.gz XFJAALOPDCZVBJ-QWHCGFSZSA-N 0 3 358.851 2.758 20 5 FFBDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000857303014 730390103 /nfs/dbraw/zinc/39/01/03/730390103.db2.gz JVOLORSKIXXZRI-JTQLQIEISA-N 0 3 370.247 2.960 20 5 FFBDHN CC1(N2CCOCC2)CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000859776113 730465707 /nfs/dbraw/zinc/46/57/07/730465707.db2.gz OLNIPXWRWRXETD-UHFFFAOYSA-N 0 3 353.850 2.935 20 5 FFBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000874837189 732106046 /nfs/dbraw/zinc/10/60/46/732106046.db2.gz IZUFOJFYQPPDAK-QWHCGFSZSA-N 0 3 368.231 2.666 20 5 FFBDHN CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000878944466 732619525 /nfs/dbraw/zinc/61/95/25/732619525.db2.gz XBLZAICEDYNOKD-LSDHHAIUSA-N 0 3 361.364 2.587 20 5 FFBDHN COC[C@H](NCc1cc([N+](=O)[O-])ccc1OC(C)C)[C@@H]1CCCOC1 ZINC000886907523 733855922 /nfs/dbraw/zinc/85/59/22/733855922.db2.gz DRZNXKYUGAELMF-PBHICJAKSA-N 0 3 352.431 2.913 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)ccc1CNC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000894277779 734829415 /nfs/dbraw/zinc/82/94/15/734829415.db2.gz MSPWVOJSUFPDHX-XJKSGUPXSA-N 0 3 354.834 2.906 20 5 FFBDHN C[S@](=O)CCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000735085274 734928170 /nfs/dbraw/zinc/92/81/70/734928170.db2.gz OJHXPWUVGZUVIY-DEOSSOPVSA-N 0 3 352.387 2.994 20 5 FFBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)N1CCCCC1 ZINC000739701203 735057349 /nfs/dbraw/zinc/05/73/49/735057349.db2.gz PZVYLQSGZFZLJA-LLVKDONJSA-N 0 3 370.247 2.962 20 5 FFBDHN C[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])N1CCCCC1 ZINC000750992100 735834479 /nfs/dbraw/zinc/83/44/79/735834479.db2.gz YMVFJIRRWCCSSL-LLVKDONJSA-N 0 3 370.247 2.962 20 5 FFBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@@H](C(F)(F)F)C1 ZINC000761042774 736689764 /nfs/dbraw/zinc/68/97/64/736689764.db2.gz RPYFRXWPBJGYSP-SNVBAGLBSA-N 0 3 359.304 2.777 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](C(F)(F)F)C1 ZINC000761044898 736690002 /nfs/dbraw/zinc/69/00/02/736690002.db2.gz IZYLGWCUOBABNL-SNVBAGLBSA-N 0 3 361.320 2.816 20 5 FFBDHN O=[N+]([O-])c1ccc(CNCC2(n3cc(Br)cn3)CC2)cc1 ZINC000922804067 738202929 /nfs/dbraw/zinc/20/29/29/738202929.db2.gz PVSKCNDSXNZYME-UHFFFAOYSA-N 0 3 351.204 2.833 20 5 FFBDHN CN1C[C@@H]2CCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000931335580 739247261 /nfs/dbraw/zinc/24/72/61/739247261.db2.gz XYGKAMFIFBCQKM-TVQRCGJNSA-N 0 3 369.219 2.525 20 5 FFBDHN CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000790886788 739509057 /nfs/dbraw/zinc/50/90/57/739509057.db2.gz AWYFOMOPYVXLJN-LBPRGKRZSA-N 0 3 355.797 2.625 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000805821698 741014120 /nfs/dbraw/zinc/01/41/20/741014120.db2.gz MGSIHPOPHPTYNA-SJORKVTESA-N 0 3 350.802 2.995 20 5 FFBDHN CC(COC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)[N+](=O)[O-] ZINC000813099766 741676999 /nfs/dbraw/zinc/67/69/99/741676999.db2.gz CIHAGCOUWNQTRO-MRVPVSSYSA-N 0 3 361.251 2.852 20 5 FFBDHN Cc1ccc(OCc2nc(CC(=O)OCC(C)[N+](=O)[O-])cs2)cc1 ZINC000813106105 741677452 /nfs/dbraw/zinc/67/74/52/741677452.db2.gz YLQJAJUYONMMHK-LBPRGKRZSA-N 0 3 350.396 2.781 20 5 FFBDHN CC(COC(=O)c1ccc(I)cc1Cl)[N+](=O)[O-] ZINC000813105351 741677536 /nfs/dbraw/zinc/67/75/36/741677536.db2.gz XTILWOCEYCUZAR-ZCFIWIBFSA-N 0 3 369.542 2.767 20 5 FFBDHN CC(COC(=O)[C@@H](C)Oc1ccc(F)cc1Br)[N+](=O)[O-] ZINC000813111515 741678560 /nfs/dbraw/zinc/67/85/60/741678560.db2.gz UHBZIEBUNOKKSD-JGVFFNPUSA-N 0 3 350.140 2.564 20 5 FFBDHN CC(COC(=O)C[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000813113255 741678954 /nfs/dbraw/zinc/67/89/54/741678954.db2.gz OUPKYVQECHVMEC-MCIONIFRSA-N 0 3 358.435 2.868 20 5 FFBDHN O=[N+]([O-])c1c(Br)cccc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000820670578 742534191 /nfs/dbraw/zinc/53/41/91/742534191.db2.gz RJBUGCLVRFTORB-GFCCVEGCSA-N 0 3 370.247 2.516 20 5 FFBDHN COC(=O)C[C@H](NCc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000822841274 742791103 /nfs/dbraw/zinc/79/11/03/742791103.db2.gz IMTZUZYJPPJMKF-LBPRGKRZSA-N 0 3 357.204 2.789 20 5 FFBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN[C@@H]1CCCN(CCCO)C1 ZINC000824583172 743111643 /nfs/dbraw/zinc/11/16/43/743111643.db2.gz IQPUCBIRMLPYET-CYBMUJFWSA-N 0 3 362.257 2.838 20 5 FFBDHN Cc1cc([C@H](N)CC(=O)NCc2cccc([N+](=O)[O-])c2C)cc(Cl)n1 ZINC000831993446 745615760 /nfs/dbraw/zinc/61/57/60/745615760.db2.gz RXUKLZCDRRFCEU-CQSZACIVSA-N 0 3 362.817 2.966 20 5 FFBDHN C[C@@]1(NCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000839550075 746853194 /nfs/dbraw/zinc/85/31/94/746853194.db2.gz GVVOKNFWJFUIRE-HZPDHXFCSA-N 0 3 353.806 2.734 20 5 FFBDHN CO[C@@H]([C@@H](C)N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000840779436 747181169 /nfs/dbraw/zinc/18/11/69/747181169.db2.gz BVNDJOUYEBFDOI-FCHSOHFDSA-N 0 3 355.822 2.978 20 5 FFBDHN CC([C@H](OC(=O)CCNC(=O)C(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845872536 748340605 /nfs/dbraw/zinc/34/06/05/748340605.db2.gz JGGXSLCYECHPNZ-ABAIWWIYSA-N 0 3 354.378 2.628 20 5 FFBDHN Cc1cnc(COCC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])o1 ZINC000845883029 748344029 /nfs/dbraw/zinc/34/40/29/748344029.db2.gz QZGMVOCKIOJEOY-BDJLRTHQSA-N 0 3 352.318 2.588 20 5 FFBDHN C[C@@H](NC[C@@H](O)c1cc(F)c(F)c(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850581374 749389510 /nfs/dbraw/zinc/38/95/10/749389510.db2.gz VPMJIGNEOTYPMA-ANRSDYALSA-N 0 3 355.316 2.979 20 5 FFBDHN CC(COC(=O)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)[N+](=O)[O-] ZINC000851036590 749491013 /nfs/dbraw/zinc/49/10/13/749491013.db2.gz KREVFACDBTUIJE-SNVBAGLBSA-N 0 3 370.427 2.863 20 5 FFBDHN O=C(CN[C@H]1CCOC12CCCCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000933874985 965319053 /nfs/dbraw/zinc/31/90/53/965319053.db2.gz VXICZCVZWYQJJD-KRWDZBQOSA-N 0 3 359.426 2.565 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)n1 ZINC001267590857 969689238 /nfs/dbraw/zinc/68/92/38/969689238.db2.gz LGSSUGDVDBNSHU-UGSOOPFHSA-N 0 3 354.410 2.549 20 5 FFBDHN C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)CCN1Cc1ccccc1 ZINC000311652734 970098620 /nfs/dbraw/zinc/09/86/20/970098620.db2.gz UNZVYTPBQZCPSV-ACJLOTCBSA-N 0 3 354.410 2.570 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2csc(N3CC[C@H]4[C@@H]3CCCN4CCO)n2)cc1 ZINC000897219826 973457518 /nfs/dbraw/zinc/45/75/18/973457518.db2.gz OSXYDZICGXNUBY-IRXDYDNUSA-N 0 3 374.466 2.754 20 5 FFBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCCc1nnc2ccccn21 ZINC000876898791 1014414569 /nfs/dbraw/zinc/41/45/69/1014414569.db2.gz VYNMHAICMZQRCH-UHFFFAOYSA-N 0 3 365.315 2.989 20 5 FFBDHN COc1ccc([C@@H](O)C2CCN(CCn3c(C)ncc3[N+](=O)[O-])CC2)cc1 ZINC000878636099 1015143131 /nfs/dbraw/zinc/14/31/31/1015143131.db2.gz YXTJDQAGSKZOLY-LJQANCHMSA-N 0 3 374.441 2.554 20 5 FFBDHN CN1CCN(c2ccncc2NC(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000919718310 990715323 /nfs/dbraw/zinc/71/53/23/990715323.db2.gz BBVAQYGVQBEFAE-UHFFFAOYSA-N 0 3 372.454 2.551 20 5 FFBDHN CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813101533 995614444 /nfs/dbraw/zinc/61/44/44/995614444.db2.gz CZAARDBXEASCCE-AUUYWEPGSA-N 0 3 372.421 2.732 20 5 FFBDHN CCOc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1OCc1cccnc1 ZINC000813115008 995625419 /nfs/dbraw/zinc/62/54/19/995625419.db2.gz ISPMNPKPDAQNFG-ZDUSSCGKSA-N 0 3 360.366 2.881 20 5 FFBDHN CC(COC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1)[N+](=O)[O-] ZINC000813113822 995625929 /nfs/dbraw/zinc/62/59/29/995625929.db2.gz JQKXOKMBLSOESE-LBPRGKRZSA-N 0 3 358.329 2.624 20 5 FFBDHN CC(COC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1)[N+](=O)[O-] ZINC000813115726 995626589 /nfs/dbraw/zinc/62/65/89/995626589.db2.gz YSDQBJMATQWIEV-RISCZKNCSA-N 0 3 370.377 2.642 20 5 FFBDHN CC([C@H](OC(=O)[C@H]1Cc2ccccc2C(=O)O1)c1ccccc1F)[N+](=O)[O-] ZINC000845872663 998676117 /nfs/dbraw/zinc/67/61/17/998676117.db2.gz LJMZOSYZSQQZKQ-LQAWEQHXSA-N 0 3 373.336 2.857 20 5 FFBDHN CC([C@@H](OC(=O)CN1CCCCCCC1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845878815 998677742 /nfs/dbraw/zinc/67/77/42/998677742.db2.gz WDBBREWUESUFMX-FZKQIMNGSA-N 0 3 366.389 2.868 20 5 FFBDHN CC(C)CN1C[C@H](C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])CC1=O ZINC000845877469 998678094 /nfs/dbraw/zinc/67/80/94/998678094.db2.gz RXWXLVQIJOJMEW-PBFPGSCMSA-N 0 3 366.389 2.580 20 5 FFBDHN CC([C@H](OC(=O)Cc1cn2c(n1)CCCC2)c1ccccc1F)[N+](=O)[O-] ZINC000845882038 998678383 /nfs/dbraw/zinc/67/83/83/998678383.db2.gz QIDBNWCGDPOWPM-SGTLLEGYSA-N 0 3 361.373 2.851 20 5 FFBDHN O=[N+]([O-])c1cnn(CN2CCN(CCC34CC5CC(CC(C5)C3)C4)CC2)c1 ZINC000732672840 998740103 /nfs/dbraw/zinc/74/01/03/998740103.db2.gz NXLCKLOKWLCWCE-UHFFFAOYSA-N 0 3 373.501 2.973 20 5 FFBDHN COc1ccc(Cl)cc1N1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169037553 1000016622 /nfs/dbraw/zinc/01/66/22/1000016622.db2.gz SKMIGYVYUVHDAW-HIFRSBDPSA-N 0 3 353.850 2.916 20 5 FFBDHN COc1ccc(CN2CCCN(c3ccc(N)cc3[N+](=O)[O-])CC2)cc1 ZINC000786573488 1001610860 /nfs/dbraw/zinc/61/08/60/1001610860.db2.gz AHEAMWPXKLEPSH-UHFFFAOYSA-N 0 3 356.426 2.898 20 5 FFBDHN COc1ccccc1[C@H](CO)NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000773006219 1001925202 /nfs/dbraw/zinc/92/52/02/1001925202.db2.gz COVWZQFYBWBKDU-IBGZPJMESA-N 0 3 371.437 2.895 20 5 FFBDHN CCC(=O)N(C)C1CCN([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170354838 1003122398 /nfs/dbraw/zinc/12/23/98/1003122398.db2.gz QBUUHMQDBZCRSD-AWEZNQCLSA-N 0 3 363.458 2.867 20 5 FFBDHN COc1ccc(OCCN(C)[C@H](CO)c2ccccc2C)c([N+](=O)[O-])c1 ZINC001197819256 1004386757 /nfs/dbraw/zinc/38/67/57/1004386757.db2.gz ZQZVWNUQJNSOSF-GOSISDBHSA-N 0 3 360.410 2.956 20 5 FFBDHN COC(=O)N1CCC[C@H]([C@@H](C)NCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000775814081 1004459628 /nfs/dbraw/zinc/45/96/28/1004459628.db2.gz DXVWDNXELMVOFF-NEPJUHHUSA-N 0 3 362.386 2.693 20 5 FFBDHN CN(CCCN(C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)Cc1ccncc1 ZINC000808273055 1004794911 /nfs/dbraw/zinc/79/49/11/1004794911.db2.gz VWAHLBZLTBAVRK-RMKNXTFCSA-N 0 3 368.437 2.984 20 5 FFBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000110349684 1005931163 /nfs/dbraw/zinc/93/11/63/1005931163.db2.gz IPZGDPYAGZHPIJ-ZDUSSCGKSA-N 0 3 372.381 2.753 20 5 FFBDHN O=[N+]([O-])c1ccccc1CN(C[C@@H](O)c1ccccn1)[C@H]1CC[C@H](O)CC1 ZINC000852204639 1005950738 /nfs/dbraw/zinc/95/07/38/1005950738.db2.gz QBDSIBDMHSTQQR-MBOZVWFJSA-N 0 3 371.437 2.829 20 5 FFBDHN CC(C)(C)C(=O)NC[C@H]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776582264 1005963041 /nfs/dbraw/zinc/96/30/41/1005963041.db2.gz NPGYJZFWJWALEB-PBHICJAKSA-N 0 3 363.458 2.503 20 5 FFBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000852306406 1005969728 /nfs/dbraw/zinc/96/97/28/1005969728.db2.gz DQDOSASPDLHYCE-HNNXBMFYSA-N 0 3 367.446 2.863 20 5 FFBDHN COC(=O)[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]2CCCC[C@H]12 ZINC000852496924 1006054213 /nfs/dbraw/zinc/05/42/13/1006054213.db2.gz SKSKMGHBXRSDAI-BDXSIMOUSA-N 0 3 362.426 2.682 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@@H](c2ccncc2)C2(CO)CCC2)cc1 ZINC000853134552 1006309091 /nfs/dbraw/zinc/30/90/91/1006309091.db2.gz WIXHOVYSQVSQSQ-ROUUACIJSA-N 0 3 357.410 2.517 20 5 FFBDHN CCc1ccc([C@@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000010139255 1007231157 /nfs/dbraw/zinc/23/11/57/1007231157.db2.gz OPVPBJPYGDXIGO-GOSISDBHSA-N 0 3 356.426 2.772 20 5 FFBDHN CC(C)N(C)Cc1cc(O[C@@H]2CCN(c3ccc([N+](=O)[O-])cn3)C2)ccn1 ZINC000856535886 1007874456 /nfs/dbraw/zinc/87/44/56/1007874456.db2.gz IUDJICZNFXRQFJ-GOSISDBHSA-N 0 3 371.441 2.883 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](O)CNCc2ccnc(OCC(F)(F)F)c2)c1 ZINC000818957467 1007995221 /nfs/dbraw/zinc/99/52/21/1007995221.db2.gz WFJPMFQIAUMTMO-CQSZACIVSA-N 0 3 371.315 2.754 20 5 FFBDHN Cc1ccc(N2CCC[C@@H](NC[C@@H](O)c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000819111813 1008046916 /nfs/dbraw/zinc/04/69/16/1008046916.db2.gz VYCKYJRKTNDMSB-RTBURBONSA-N 0 3 369.421 2.722 20 5 FFBDHN CN(C)CCN(CCc1ccccc1)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000824003087 1009290220 /nfs/dbraw/zinc/29/02/20/1009290220.db2.gz OJOHPTIFKBUCPZ-UHFFFAOYSA-N 0 3 371.441 2.815 20 5 FFBDHN C[C@H]1Cc2cc(CN3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)ccc2O1 ZINC001179937395 1009497107 /nfs/dbraw/zinc/49/71/07/1009497107.db2.gz LWLWOWHNJGRQDE-BBRMVZONSA-N 0 3 354.410 3.000 20 5 FFBDHN O=C(NC[C@H]1CCN1C1CCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000862631964 1009910264 /nfs/dbraw/zinc/91/02/64/1009910264.db2.gz ZFNXANRXJZCWKU-CQSZACIVSA-N 0 3 362.386 2.640 20 5 FFBDHN Cc1ccc([C@H](C)NC[C@@H](O)CCNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000794464416 1010043672 /nfs/dbraw/zinc/04/36/72/1010043672.db2.gz PFYYSIPXTRKYMR-ZFWWWQNUSA-N 0 3 367.446 2.830 20 5 FFBDHN Cc1cc(F)cc(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)c1[N+](=O)[O-] ZINC000794562716 1010335528 /nfs/dbraw/zinc/33/55/28/1010335528.db2.gz ADWQKRIHKHBTHG-INIZCTEOSA-N 0 3 373.384 2.861 20 5 FFBDHN O=[N+]([O-])c1cccnc1N1CCN(C[C@H]2CCc3ccccc3C2)CC1 ZINC001182204333 1010423527 /nfs/dbraw/zinc/42/35/27/1010423527.db2.gz PPJAUQRHGXLUTC-INIZCTEOSA-N 0 3 352.438 2.917 20 5 FFBDHN C[C@H](NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000119961144 1010443802 /nfs/dbraw/zinc/44/38/02/1010443802.db2.gz VPOPSCNKACTCQA-INIZCTEOSA-N 0 3 368.437 2.594 20 5 FFBDHN CN(Cc1cnccn1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173018369 1012190226 /nfs/dbraw/zinc/19/02/26/1012190226.db2.gz SAEBQAZNQYXCAW-UHFFFAOYSA-N 0 3 363.368 2.764 20 5 FFBDHN CCO[C@@H]1COCC[C@@H]1CC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000870454402 1012389038 /nfs/dbraw/zinc/38/90/38/1012389038.db2.gz KLCINIBURYOPHZ-ZHCAMHROSA-N 0 3 369.389 2.907 20 5 FFBDHN CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CCC1(C)C ZINC000871150570 1012750293 /nfs/dbraw/zinc/75/02/93/1012750293.db2.gz PJPWFLRJWATFEX-UHFFFAOYSA-N 0 3 360.458 2.751 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1CCc2ccccc2OC1 ZINC000801570719 1019127271 /nfs/dbraw/zinc/12/72/71/1019127271.db2.gz IITYWKDONJKOJJ-HNNXBMFYSA-N 0 3 355.394 2.825 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@@](CO)(c3ccccc3)C2)cc1 ZINC000801580569 1019137462 /nfs/dbraw/zinc/13/74/62/1019137462.db2.gz MZRAKPHZTQPLOD-VQTJNVASSA-N 0 3 356.422 2.654 20 5 FFBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000932192447 1020738295 /nfs/dbraw/zinc/73/82/95/1020738295.db2.gz XFJSELWAQURLBF-ZDUSSCGKSA-N 0 3 374.466 2.581 20 5 FFBDHN O=C1OCCCN1C1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000933615259 1021045798 /nfs/dbraw/zinc/04/57/98/1021045798.db2.gz KUAADAZSHPBRES-UHFFFAOYSA-N 0 3 363.414 2.670 20 5 FFBDHN Cc1c(Cl)cc([N+](=O)[O-])c(OC[C@H]2CNCCO2)c1Br ZINC001218179383 1033035851 /nfs/dbraw/zinc/03/58/51/1033035851.db2.gz ORNCEIIKBSLFPA-MRVPVSSYSA-N 0 3 365.611 2.686 20 5 FFBDHN COc1cc(O[C@@H]2CC[NH2+]C[C@@H]2C)c2c(c1)oc1c([O-])ccc(O)c1c2=O ZINC001218419087 1033149226 /nfs/dbraw/zinc/14/92/26/1033149226.db2.gz KHXXPAHRMVVQCI-IINYFYTJSA-N 0 3 371.389 2.743 20 5 FFBDHN O=[N+]([O-])c1cc(F)c(O[C@@H]2CNCCC2(F)F)c(Br)c1 ZINC001218456121 1033164960 /nfs/dbraw/zinc/16/49/60/1033164960.db2.gz ZOTOANKKRZERQA-SECBINFHSA-N 0 3 355.110 2.872 20 5 FFBDHN CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000080501477 1024636625 /nfs/dbraw/zinc/63/66/25/1024636625.db2.gz CEZDQMXPTCGUND-QGZVFWFLSA-N 0 3 368.437 2.914 20 5 FFBDHN CCc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)N(C)C)cc1 ZINC000195131484 1024946058 /nfs/dbraw/zinc/94/60/58/1024946058.db2.gz IXDREZXTOJWLPO-SFHVURJKSA-N 0 3 356.426 2.772 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000839643361 1026772174 /nfs/dbraw/zinc/77/21/74/1026772174.db2.gz RQPYJQFDBLNXDC-HXUWFJFHSA-N 0 3 369.421 2.623 20 5 FFBDHN C[C@@]12CN(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000840118174 1026965105 /nfs/dbraw/zinc/96/51/05/1026965105.db2.gz YCKVLLQQJAOVRS-UJNZZBMASA-N 0 3 351.410 2.955 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2C)C[C@H]1N1CCCC1 ZINC001153677318 1027956635 /nfs/dbraw/zinc/95/66/35/1027956635.db2.gz YXFBYMLICMKMMV-HZPDHXFCSA-N 0 3 367.446 2.694 20 5 FFBDHN COc1nc(C)c([N+](=O)[O-])c(NC[C@@H]2CCCN2Cc2ccccc2)n1 ZINC001161885415 1028350518 /nfs/dbraw/zinc/35/05/18/1028350518.db2.gz NOOHDCFPVHKODV-HNNXBMFYSA-N 0 3 357.414 2.778 20 5 FFBDHN CNC(=O)c1ccc(N[C@@H]2CCN(Cc3cccc(C)c3)C2)c([N+](=O)[O-])c1 ZINC001163831722 1029083205 /nfs/dbraw/zinc/08/32/05/1029083205.db2.gz UHTGSUHTAPTLSX-QGZVFWFLSA-N 0 3 368.437 2.949 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@@H](CO)c2ccc(C(F)(F)F)cc2)cc1 ZINC000782091606 1029565843 /nfs/dbraw/zinc/56/58/43/1029565843.db2.gz PGDJGRHVCUIXAR-HOTGVXAUSA-N 0 3 370.327 2.970 20 5 FFBDHN C[C@]1(CO)C[C@@H](O)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000888092493 1029618716 /nfs/dbraw/zinc/61/87/16/1029618716.db2.gz XFOCXZYYRGKCKJ-SJKOYZFVSA-N 0 3 366.801 2.826 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCO[C@H]2CC[C@H](N3CCOCC3)CC2)cc1 ZINC001224776892 1034002776 /nfs/dbraw/zinc/00/27/76/1034002776.db2.gz HEUYOLAJWXYIII-JCNLHEQBSA-N 0 3 350.415 2.634 20 5 FFBDHN Cc1ccc(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001221093088 1034542938 /nfs/dbraw/zinc/54/29/38/1034542938.db2.gz PCAYTMYQTPBSFS-GOSISDBHSA-N 0 3 368.437 2.977 20 5 FFBDHN CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])c4cccnc34)C[C@H]1N2C ZINC001228139637 1035955482 /nfs/dbraw/zinc/95/54/82/1035955482.db2.gz VMNULGNOWHDGGO-HINSOXJESA-N 0 3 371.393 2.689 20 5 FFBDHN O=[N+]([O-])c1c[n+]([O-])ccc1O[C@H]1[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 ZINC001229451088 1036682259 /nfs/dbraw/zinc/68/22/59/1036682259.db2.gz BOXYQPNJVDUURE-MNZLEMJZSA-N 0 3 355.394 2.518 20 5 FFBDHN COCCN1CCC(Oc2nc(C)c(Br)cc2[N+](=O)[O-])CC1 ZINC001231120556 1037479851 /nfs/dbraw/zinc/47/98/51/1037479851.db2.gz QPEKKAVSNXZPDL-UHFFFAOYSA-N 0 3 374.235 2.550 20 5 FFBDHN NC(=O)[C@@H]1CN(Cc2c3ccccc3c(Cl)c3ccccc32)CCN1 ZINC001235754832 1037724361 /nfs/dbraw/zinc/72/43/61/1037724361.db2.gz TUHUNYMUEQCBPZ-SFHVURJKSA-N 0 3 353.853 2.906 20 5 FFBDHN COc1cc(N2CCC(N3CCOCC34CCC4)CC2)ccc1[N+](=O)[O-] ZINC001256100288 1038384560 /nfs/dbraw/zinc/38/45/60/1038384560.db2.gz DFSYYUJGZAEGLU-UHFFFAOYSA-N 0 3 361.442 2.827 20 5 FFBDHN N[C@H](Cc1nc(-c2ccc3c(c2)OCCO3)no1)c1ccccc1[N+](=O)[O-] ZINC001249342684 1040692671 /nfs/dbraw/zinc/69/26/71/1040692671.db2.gz QDVNXQWQFWQOHP-CYBMUJFWSA-N 0 3 368.349 2.659 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](NCc1ccnc(OCC3CCC3)n1)C2 ZINC001254586189 1040818331 /nfs/dbraw/zinc/81/83/31/1040818331.db2.gz IFVWMGVOPUCAOX-KRWDZBQOSA-N 0 3 354.410 2.821 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](NCc1cc(OCC3CCC3)ncn1)C2 ZINC001254586537 1040818430 /nfs/dbraw/zinc/81/84/30/1040818430.db2.gz LJEYOPVSIFITHC-MRXNPFEDSA-N 0 3 354.410 2.821 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@@H](F)[C@@](O)(C(F)(F)F)CC1)C2 ZINC001254593152 1040822852 /nfs/dbraw/zinc/82/28/52/1040822852.db2.gz JJDFGGVOJIHBJZ-RBSFLKMASA-N 0 3 362.323 2.789 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC3(C1)CCN(Cc1cccnc1)C3)C2 ZINC001254593917 1040823231 /nfs/dbraw/zinc/82/32/31/1040823231.db2.gz BTHJVZLWVHWAJN-FQEVSTJZSA-N 0 3 364.449 2.665 20 5 FFBDHN O=c1[n-]cc(-c2nnc([C@@H]3CC[N@H+](Cc4ccccc4)C3)o2)cc1[N+](=O)[O-] ZINC001255450450 1041344686 /nfs/dbraw/zinc/34/46/86/1041344686.db2.gz AWNCRCZFWAUFOR-CYBMUJFWSA-N 0 3 367.365 2.735 20 5 FFBDHN O=c1[n-]cc(-c2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)cc1[N+](=O)[O-] ZINC001255450450 1041344690 /nfs/dbraw/zinc/34/46/90/1041344690.db2.gz AWNCRCZFWAUFOR-CYBMUJFWSA-N 0 3 367.365 2.735 20 5 FFBDHN CCOc1cc(NC(=O)N[C@H]2CCN(C)[C@H]2C)c([N+](=O)[O-])cc1OCC ZINC001309999361 1043621304 /nfs/dbraw/zinc/62/13/04/1043621304.db2.gz BIEXEXYXHKCTRY-RYUDHWBXSA-N 0 3 366.418 2.606 20 5 FFBDHN O=[N+]([O-])c1cnc(N2CCN[C@H](c3ccc(O)cc3)C2)c(C(F)(F)F)c1 ZINC001307199519 1049988195 /nfs/dbraw/zinc/98/81/95/1049988195.db2.gz UCLVYHKCVXFBIE-AWEZNQCLSA-N 0 3 368.315 2.865 20 5 FFBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001340940892 1051271105 /nfs/dbraw/zinc/27/11/05/1051271105.db2.gz MNYIRYZXMBTYFD-AWEZNQCLSA-N 0 3 357.435 2.761 20 5 FFBDHN C[C@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)N1CCC(C)CC1 ZINC001542425753 1071232382 /nfs/dbraw/zinc/23/23/82/1071232382.db2.gz ZJCYZTXIHRKEFF-SNVBAGLBSA-N 0 3 372.828 2.820 20 5 FFBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001341278167 1051635903 /nfs/dbraw/zinc/63/59/03/1051635903.db2.gz VHJXTDTXSBLPDG-CQSZACIVSA-N 0 3 367.409 2.512 20 5 FFBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001341278166 1051636054 /nfs/dbraw/zinc/63/60/54/1051636054.db2.gz VHJXTDTXSBLPDG-AWEZNQCLSA-N 0 3 367.409 2.512 20 5 FFBDHN O=[N+]([O-])c1ccc(C(F)(F)F)cc1N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001346068358 1052731437 /nfs/dbraw/zinc/73/14/37/1052731437.db2.gz MPDVNYXPZIHNJX-OLZOCXBDSA-N 0 3 359.348 2.649 20 5 FFBDHN O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001443475486 1058211063 /nfs/dbraw/zinc/21/10/63/1058211063.db2.gz DJVCYDRUIAEXIS-ZDUSSCGKSA-N 0 3 367.833 2.621 20 5 FFBDHN O=[N+]([O-])c1cnc2ccccc2c1N1CCN[C@H](c2ccc(O)cc2)C1 ZINC001458563786 1060624238 /nfs/dbraw/zinc/62/42/38/1060624238.db2.gz MCRZZWNEWDGBQK-KRWDZBQOSA-N 0 3 350.378 3.000 20 5 FFBDHN CC[C@@H](c1ccccc1)N1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC001459592405 1060778996 /nfs/dbraw/zinc/77/89/96/1060778996.db2.gz ZLTKOHWFRBEIQY-IBGZPJMESA-N 0 3 370.453 2.525 20 5 FFBDHN Cc1cc(S(=O)(=O)[N-]CC[C@@H](C)[NH+]2CCCCC2)c(F)cc1[N+](=O)[O-] ZINC001475185818 1060986129 /nfs/dbraw/zinc/98/61/29/1060986129.db2.gz FPBPOPZUFFTMQR-CYBMUJFWSA-N 0 3 373.450 2.585 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC1(OCCO)CCCCC1 ZINC001461800106 1061409166 /nfs/dbraw/zinc/40/91/66/1061409166.db2.gz VZBRNCQTHVFHPK-UHFFFAOYSA-N 0 3 352.431 2.795 20 5 FFBDHN C[N@H+](Cc1ccccc1)C1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCOCC1 ZINC001472871720 1065163541 /nfs/dbraw/zinc/16/35/41/1065163541.db2.gz NJPDHOYQXVUUEH-UHFFFAOYSA-N 0 3 372.425 2.789 20 5 FFBDHN C[N@@H+](Cc1ccccc1)C1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCOCC1 ZINC001472871720 1065163544 /nfs/dbraw/zinc/16/35/44/1065163544.db2.gz NJPDHOYQXVUUEH-UHFFFAOYSA-N 0 3 372.425 2.789 20 5 FFBDHN Cc1c(NC(=O)CCN2CC[C@H](c3cnccn3)C2)cccc1[N+](=O)[O-] ZINC001473833572 1065383905 /nfs/dbraw/zinc/38/39/05/1065383905.db2.gz MCTCTDAMAVBFEZ-AWEZNQCLSA-N 0 3 355.398 2.511 20 5 FFBDHN Cc1cc(-c2nnn[n-]2)cc(C)c1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC001580614747 1078838587 /nfs/dbraw/zinc/83/85/87/1078838587.db2.gz MILHHWDHHMZWHN-UHFFFAOYSA-N 0 3 352.398 2.724 20 5 FFBDHN Cc1cc(-c2nn[n-]n2)cc(C)c1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC001580614747 1078838592 /nfs/dbraw/zinc/83/85/92/1078838592.db2.gz MILHHWDHHMZWHN-UHFFFAOYSA-N 0 3 352.398 2.724 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)CC[C@@H]2CCCCN2C)cc1F ZINC001561309338 1076360149 /nfs/dbraw/zinc/36/01/49/1076360149.db2.gz XVSUTUZMTMKEQX-ZDUSSCGKSA-N 0 3 373.450 2.537 20 5 FFBDHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC001589871395 1080819959 /nfs/dbraw/zinc/81/99/59/1080819959.db2.gz WKUXBPFNUZCZQH-LLVKDONJSA-N 0 3 356.361 2.807 20 5 FFBDHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC001589871395 1080819965 /nfs/dbraw/zinc/81/99/65/1080819965.db2.gz WKUXBPFNUZCZQH-LLVKDONJSA-N 0 3 356.361 2.807 20 5 FFBDHN COc1cc(CNC[C@]2(C)CCO[C@@H]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000372983356 512117849 /nfs/dbraw/zinc/11/78/49/512117849.db2.gz URYXVSQFEUIZDA-MSOLQXFVSA-N 0 3 350.415 2.907 20 5 FFBDHN CN(C)CCN(CCCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000409666228 512120198 /nfs/dbraw/zinc/12/01/98/512120198.db2.gz OAYQZHWURZGJRJ-UHFFFAOYSA-N 0 3 358.442 2.570 20 5 FFBDHN COCCCN1CCC(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 ZINC000094093061 250053151 /nfs/dbraw/zinc/05/31/51/250053151.db2.gz AUNPZCMDGZXSNJ-UHFFFAOYSA-N 0 3 363.458 2.751 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)NCCN2CCC[C@H](C)C2)cc1SC ZINC000103070037 250133123 /nfs/dbraw/zinc/13/31/23/250133123.db2.gz ZUDREOYLPSYJSC-LBPRGKRZSA-N 0 3 367.471 2.787 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(CCO)Cc1ccccc1 ZINC000103140586 250136729 /nfs/dbraw/zinc/13/67/29/250136729.db2.gz CLKWOVWFHSIHQV-UHFFFAOYSA-N 0 3 357.410 2.726 20 5 FFBDHN CN1CCO[C@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000105470997 250214082 /nfs/dbraw/zinc/21/40/82/250214082.db2.gz PBKXVWVSEXRUNH-CQSZACIVSA-N 0 3 365.817 2.928 20 5 FFBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[C@@H](N2CCCCC2)C1 ZINC000264603752 251321070 /nfs/dbraw/zinc/32/10/70/251321070.db2.gz YCEGCMSWBYGDFL-QGZVFWFLSA-N 0 3 356.426 2.636 20 5 FFBDHN CC[C@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000272586778 252074483 /nfs/dbraw/zinc/07/44/83/252074483.db2.gz ZFLQCZVOCBHKKR-AEFFLSMTSA-N 0 3 357.458 2.882 20 5 FFBDHN CN1CC[C@@H]2CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000272604403 252078509 /nfs/dbraw/zinc/07/85/09/252078509.db2.gz YYBYDVUWTAOWQY-YGRLFVJLSA-N 0 3 368.231 2.524 20 5 FFBDHN CS[C@H]1CN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C[C@@H]1N(C)C ZINC000272625292 252085148 /nfs/dbraw/zinc/08/51/48/252085148.db2.gz VPHMIHHSDDZAOR-KBPBESRZSA-N 0 3 352.460 2.721 20 5 FFBDHN Cc1c(C(=O)N[C@@H](C)C2=CCN(C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000273033241 252196976 /nfs/dbraw/zinc/19/69/76/252196976.db2.gz VFMSUUKAYJLZJI-LBPRGKRZSA-N 0 3 362.386 2.500 20 5 FFBDHN O=[N+]([O-])c1cnc(NCc2ccccc2CN2CC[C@H](O)C2)c(Cl)c1 ZINC000273049829 252201042 /nfs/dbraw/zinc/20/10/42/252201042.db2.gz BIDBOGLHHPOSDQ-HNNXBMFYSA-N 0 3 362.817 2.822 20 5 FFBDHN CC(=O)c1ccc(NCc2ccccc2CN2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000273196016 252247516 /nfs/dbraw/zinc/24/75/16/252247516.db2.gz NOYSJHLLKWSLCF-SFHVURJKSA-N 0 3 369.421 2.976 20 5 FFBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@@H]1CCCCN1C1CC1 ZINC000277753674 256235490 /nfs/dbraw/zinc/23/54/90/256235490.db2.gz CIBUAJBVCWQMSV-INIZCTEOSA-N 0 3 356.426 2.752 20 5 FFBDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000278746291 256343697 /nfs/dbraw/zinc/34/36/97/256343697.db2.gz UMXWQNUBEVVIDX-ZDUSSCGKSA-N 0 3 353.850 2.933 20 5 FFBDHN CN(C)[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000071862570 221384191 /nfs/dbraw/zinc/38/41/91/221384191.db2.gz ROISKPZMIQUSSF-INIZCTEOSA-N 0 3 353.382 2.504 20 5 FFBDHN CN(CCc1nc(-c2ccccc2)no1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285880749 257009368 /nfs/dbraw/zinc/00/93/68/257009368.db2.gz JKCKREACFLNXFI-QGZVFWFLSA-N 0 3 368.393 2.853 20 5 FFBDHN COC(=O)CCn1nc(C)c(CN(C)CCc2ccccc2[N+](=O)[O-])c1C ZINC000289379151 257277673 /nfs/dbraw/zinc/27/76/73/257277673.db2.gz MHVYWBZSANVYBX-UHFFFAOYSA-N 0 3 374.441 2.646 20 5 FFBDHN C[C@@H]1CCC[C@@](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])(N(C)C)C1 ZINC000301102690 258025466 /nfs/dbraw/zinc/02/54/66/258025466.db2.gz RWFQCLXYJIXYTD-CXAGYDPISA-N 0 3 369.487 2.921 20 5 FFBDHN CN(C(=O)c1cccc([N+](=O)[O-])c1)C1CCN(CCc2ccccn2)CC1 ZINC000299699260 258017779 /nfs/dbraw/zinc/01/77/79/258017779.db2.gz PVEAXQUXYNFHQP-UHFFFAOYSA-N 0 3 368.437 2.769 20 5 FFBDHN C[C@@H](CCN1CCN(C)CC1)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000302305630 258098813 /nfs/dbraw/zinc/09/88/13/258098813.db2.gz ZKSABRDKGYKQPQ-LBPRGKRZSA-N 0 3 371.279 2.795 20 5 FFBDHN C[C@H]1CN(CCCCNc2nc3sccn3c2[N+](=O)[O-])C[C@H](C)O1 ZINC000301551683 258055478 /nfs/dbraw/zinc/05/54/78/258055478.db2.gz HCOCEWJQSCPFSS-RYUDHWBXSA-N 0 3 353.448 2.605 20 5 FFBDHN CC(C)N(C)CCNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000301594035 258057718 /nfs/dbraw/zinc/05/77/18/258057718.db2.gz YIVMEYXIZNLLAK-UHFFFAOYSA-N 0 3 365.821 2.546 20 5 FFBDHN CCN1C[C@H](C)N(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000331338418 258182588 /nfs/dbraw/zinc/18/25/88/258182588.db2.gz JLLUXJGXZKSLPI-RYUDHWBXSA-N 0 3 354.838 2.601 20 5 FFBDHN COc1cc(CN2C[C@H](SC)[C@@H](N3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000332084505 258213235 /nfs/dbraw/zinc/21/32/35/258213235.db2.gz PUJGYSJWMUZYFR-RDJZCZTQSA-N 0 3 369.462 2.754 20 5 FFBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c1 ZINC000370945257 512146527 /nfs/dbraw/zinc/14/65/27/512146527.db2.gz UACDKDMVABIFKG-GFCCVEGCSA-N 0 3 359.361 2.951 20 5 FFBDHN C[C@H]1C[C@@H](N(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCN1C ZINC000121870054 508436443 /nfs/dbraw/zinc/43/64/43/508436443.db2.gz AXTBWXRWQFSWJJ-GWCFXTLKSA-N 0 3 370.247 2.912 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)CN1CCCCC1 ZINC000065792524 506367386 /nfs/dbraw/zinc/36/73/86/506367386.db2.gz MUWXEPBNTBGWTB-AWEZNQCLSA-N 0 3 369.487 2.558 20 5 FFBDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000054644070 506594378 /nfs/dbraw/zinc/59/43/78/506594378.db2.gz WKRMZQVYNFQWDO-SFHVURJKSA-N 0 3 370.453 2.609 20 5 FFBDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000066725835 506624477 /nfs/dbraw/zinc/62/44/77/506624477.db2.gz UPPJOVIEFCPOLA-UHFFFAOYSA-N 0 3 373.457 2.637 20 5 FFBDHN COc1cc(C(=O)NCc2ccccc2CN(C)C)c([N+](=O)[O-])cc1OC ZINC000009916966 506717314 /nfs/dbraw/zinc/71/73/14/506717314.db2.gz PHAOTCNJZFMHAE-UHFFFAOYSA-N 0 3 373.409 2.604 20 5 FFBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000055401645 506743063 /nfs/dbraw/zinc/74/30/63/506743063.db2.gz JTCSABFOQZVDNW-ZIAGYGMSSA-N 0 3 351.472 2.924 20 5 FFBDHN O=C(CNC1(C2CC2)CCOCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000367019681 512300129 /nfs/dbraw/zinc/30/01/29/512300129.db2.gz DLACAHYQNDPJLT-UHFFFAOYSA-N 0 3 353.806 2.736 20 5 FFBDHN CN(C)Cc1cccc(CNC(=O)CCOc2ccccc2[N+](=O)[O-])c1 ZINC000067793556 507011610 /nfs/dbraw/zinc/01/16/10/507011610.db2.gz XCYSYQLCVHRCSI-UHFFFAOYSA-N 0 3 357.410 2.742 20 5 FFBDHN Cc1c(NC(=O)[C@@H](C)N2CCN(C3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000045768820 507016646 /nfs/dbraw/zinc/01/66/46/507016646.db2.gz XYHBLUWBUCZQPP-OAHLLOKOSA-N 0 3 360.458 2.790 20 5 FFBDHN C[C@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])N(C)C1CC1 ZINC000068195861 507144320 /nfs/dbraw/zinc/14/43/20/507144320.db2.gz VDDVPDOWMFPUOC-MNOVXSKESA-N 0 3 355.822 2.614 20 5 FFBDHN CC(C)N1CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000069083248 507401814 /nfs/dbraw/zinc/40/18/14/507401814.db2.gz NNWNQTMKKICRMJ-UHFFFAOYSA-N 0 3 354.838 2.603 20 5 FFBDHN CN(C)[C@@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000069149468 507421185 /nfs/dbraw/zinc/42/11/85/507421185.db2.gz FPTJSXQTWYQUME-SFHVURJKSA-N 0 3 372.425 2.576 20 5 FFBDHN C[C@H](CN1CCCCC1)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000027748313 507680186 /nfs/dbraw/zinc/68/01/86/507680186.db2.gz BLTMZCGMGIZNBS-MRXNPFEDSA-N 0 3 374.485 2.802 20 5 FFBDHN CCN1CCC(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000051341922 507764624 /nfs/dbraw/zinc/76/46/24/507764624.db2.gz HDGGFHBHIJORCM-UHFFFAOYSA-N 0 3 360.439 2.932 20 5 FFBDHN Cc1nn(CCC(=O)Nc2ccc(C)cc2CN(C)C)c(C)c1[N+](=O)[O-] ZINC000072840646 507861202 /nfs/dbraw/zinc/86/12/02/507861202.db2.gz NMIGYWGTFBCNPL-UHFFFAOYSA-N 0 3 359.430 2.807 20 5 FFBDHN CC[C@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCS1 ZINC000072861827 507865961 /nfs/dbraw/zinc/86/59/61/507865961.db2.gz GSZDWZXFFVFREV-ZDUSSCGKSA-N 0 3 351.428 2.720 20 5 FFBDHN CCc1nn(C)c(N(C)C[C@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000091729099 508005691 /nfs/dbraw/zinc/00/56/91/508005691.db2.gz CGYBOIAZYMBQHD-MRXNPFEDSA-N 0 3 357.458 2.849 20 5 FFBDHN C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)CCN1Cc1ccccc1 ZINC000080230708 508054198 /nfs/dbraw/zinc/05/41/98/508054198.db2.gz ZEJJLJIALRSMQQ-ZFWWWQNUSA-N 0 3 369.425 2.554 20 5 FFBDHN C[C@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000110965704 508060853 /nfs/dbraw/zinc/06/08/53/508060853.db2.gz YHFINTVPEUVFJE-OAHLLOKOSA-N 0 3 356.426 2.643 20 5 FFBDHN CN1CCN(CCCCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000092606985 508086674 /nfs/dbraw/zinc/08/66/74/508086674.db2.gz XIMNPCZHJHACCO-UHFFFAOYSA-N 0 3 358.389 2.636 20 5 FFBDHN CNc1ccc(C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000081127247 508140143 /nfs/dbraw/zinc/14/01/43/508140143.db2.gz GDRDOZGNQOIUKN-QGZVFWFLSA-N 0 3 368.437 2.983 20 5 FFBDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000106787613 508404536 /nfs/dbraw/zinc/40/45/36/508404536.db2.gz UKQFHYFEZWTSNZ-HNNXBMFYSA-N 0 3 358.442 2.916 20 5 FFBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@H](c3nncn3C3CC3)C2)c1 ZINC000152454422 508450199 /nfs/dbraw/zinc/45/01/99/508450199.db2.gz NNPNIXXICKMANO-AWEZNQCLSA-N 0 3 357.414 2.780 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000156687926 508462494 /nfs/dbraw/zinc/46/24/94/508462494.db2.gz CELXJNXCAQZVCB-WBMJQRKESA-N 0 3 372.400 2.566 20 5 FFBDHN CCCCN1CCCC[C@@H]1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000152830233 508522458 /nfs/dbraw/zinc/52/24/58/508522458.db2.gz BQRBWTAAWBILBT-QGZVFWFLSA-N 0 3 369.487 2.669 20 5 FFBDHN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136893896 508723068 /nfs/dbraw/zinc/72/30/68/508723068.db2.gz UBUDSOHOMVXJDQ-LIRRHRJNSA-N 0 3 367.409 2.902 20 5 FFBDHN O=[N+]([O-])c1cc(CN[C@H](CCO)C2CCCCC2)c2c(c1)COCO2 ZINC000129454872 508728623 /nfs/dbraw/zinc/72/86/23/508728623.db2.gz JTYYWKLHNSNPSX-QGZVFWFLSA-N 0 3 350.415 2.882 20 5 FFBDHN C[C@H]1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 ZINC000137455710 508756668 /nfs/dbraw/zinc/75/66/68/508756668.db2.gz WDRKRUHYXLLZEF-RDJZCZTQSA-N 0 3 369.421 2.753 20 5 FFBDHN CCN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000158898235 508765756 /nfs/dbraw/zinc/76/57/56/508765756.db2.gz MHCRGFJDPKNBRI-UHFFFAOYSA-N 0 3 356.220 2.571 20 5 FFBDHN C[C@@H]1CC[C@H](C)N1[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000139256495 508786112 /nfs/dbraw/zinc/78/61/12/508786112.db2.gz SHIWSFBZOPVKRP-IJEWVQPXSA-N 0 3 367.471 2.621 20 5 FFBDHN Cn1cc(CN2CCC(C3OCCO3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000130045196 508790457 /nfs/dbraw/zinc/79/04/57/508790457.db2.gz RAHLOVICEOVZEO-UHFFFAOYSA-N 0 3 372.425 2.580 20 5 FFBDHN CN1CCC(N(Cc2ccco2)C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000124189555 508794782 /nfs/dbraw/zinc/79/47/82/508794782.db2.gz PYCXEBNCSVAWJW-UHFFFAOYSA-N 0 3 373.409 2.690 20 5 FFBDHN CCN1CCC(n2nccc2NC(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000119490069 508806828 /nfs/dbraw/zinc/80/68/28/508806828.db2.gz SZXYMSUVZDQFFB-UHFFFAOYSA-N 0 3 371.441 2.938 20 5 FFBDHN COCCN1CCC(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000141599650 508816925 /nfs/dbraw/zinc/81/69/25/508816925.db2.gz JWMQVOJVWNIKKS-UHFFFAOYSA-N 0 3 363.458 2.733 20 5 FFBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H]2CC(C)(C)OC2(C)C)c([N+](=O)[O-])c1 ZINC000119803518 508866201 /nfs/dbraw/zinc/86/62/01/508866201.db2.gz CDYLQKQDZNJBIZ-XHDPSFHLSA-N 0 3 365.430 2.866 20 5 FFBDHN CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000155200243 508946421 /nfs/dbraw/zinc/94/64/21/508946421.db2.gz KURRFUNJGPHZHA-DZGCQCFKSA-N 0 3 357.414 2.616 20 5 FFBDHN Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(CC(C)C)C2)cc1[N+](=O)[O-] ZINC000120223161 508953554 /nfs/dbraw/zinc/95/35/54/508953554.db2.gz HKTUSGXSJOUWRP-OAHLLOKOSA-N 0 3 369.487 2.550 20 5 FFBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN1CCOC ZINC000132277651 509009938 /nfs/dbraw/zinc/00/99/38/509009938.db2.gz ZGTATODWVDRDGR-AWEZNQCLSA-N 0 3 367.471 2.547 20 5 FFBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCN1CCCCC1 ZINC000120520548 509012635 /nfs/dbraw/zinc/01/26/35/509012635.db2.gz PCQDZJFSFKYUSQ-UHFFFAOYSA-N 0 3 370.247 2.502 20 5 FFBDHN CN(C)[C@@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000120553424 509019723 /nfs/dbraw/zinc/01/97/23/509019723.db2.gz MJCWFUBNDAPVLF-GFCCVEGCSA-N 0 3 356.220 2.524 20 5 FFBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000125738724 509024067 /nfs/dbraw/zinc/02/40/67/509024067.db2.gz IITARBGUGPMJJC-CJNGLKHVSA-N 0 3 354.410 2.699 20 5 FFBDHN COc1ccc(C(=O)CCN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000375642054 512433699 /nfs/dbraw/zinc/43/36/99/512433699.db2.gz QDCDERYPTYZMTJ-UHFFFAOYSA-N 0 3 358.398 2.710 20 5 FFBDHN C[C@H](c1ccncc1)N1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000155630278 509041293 /nfs/dbraw/zinc/04/12/93/509041293.db2.gz BJQJBGNGOACINV-OAHLLOKOSA-N 0 3 368.437 2.874 20 5 FFBDHN CN(CC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000248088085 509234305 /nfs/dbraw/zinc/23/43/05/509234305.db2.gz SZZHGDNOFSXMND-OXJNMPFZSA-N 0 3 368.437 2.593 20 5 FFBDHN C[C@@H](CN(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000248466737 509334864 /nfs/dbraw/zinc/33/48/64/509334864.db2.gz SMGDPOUMUPCBHZ-GXTWGEPZSA-N 0 3 351.428 2.527 20 5 FFBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000267479427 509505887 /nfs/dbraw/zinc/50/58/87/509505887.db2.gz XJRXZPOBYWGBJF-INIZCTEOSA-N 0 3 363.458 2.536 20 5 FFBDHN COc1cccc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000248837793 509507176 /nfs/dbraw/zinc/50/71/76/509507176.db2.gz DQQMDZWZZPSJDO-WMLDXEAASA-N 0 3 369.421 2.854 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCC[C@H]2c2cc3ccccc3[nH]2)c1 ZINC000173353207 509548546 /nfs/dbraw/zinc/54/85/46/509548546.db2.gz LILSXLFDWVYFNM-LPHOPBHVSA-N 0 3 369.425 2.861 20 5 FFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)[C@@H](C)C1 ZINC000249030619 509575614 /nfs/dbraw/zinc/57/56/14/509575614.db2.gz LYCWYXDUBRLMPV-GJZGRUSLSA-N 0 3 369.487 2.562 20 5 FFBDHN CC[NH+]1CCC(CC[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC1 ZINC000173513719 509637513 /nfs/dbraw/zinc/63/75/13/509637513.db2.gz RZYOFGNGSIHFJO-UHFFFAOYSA-N 0 3 369.487 2.612 20 5 FFBDHN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCCNCC3)cc2[N+](=O)[O-])C1 ZINC000237477030 509658009 /nfs/dbraw/zinc/65/80/09/509658009.db2.gz IRMDAXYZSILWNU-HUUCEWRRSA-N 0 3 360.458 2.513 20 5 FFBDHN COc1cc(CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1[O-] ZINC000192924909 509701215 /nfs/dbraw/zinc/70/12/15/509701215.db2.gz WKWKMPVYFMUION-MRXNPFEDSA-N 0 3 371.437 2.921 20 5 FFBDHN COc1cc(CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1[O-] ZINC000192924909 509701218 /nfs/dbraw/zinc/70/12/18/509701218.db2.gz WKWKMPVYFMUION-MRXNPFEDSA-N 0 3 371.437 2.921 20 5 FFBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000192924745 509701635 /nfs/dbraw/zinc/70/16/35/509701635.db2.gz JAVIABLFRQIMRP-KRWDZBQOSA-N 0 3 373.457 2.823 20 5 FFBDHN COc1cc(CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1[O-] ZINC000192924898 509701787 /nfs/dbraw/zinc/70/17/87/509701787.db2.gz WKWKMPVYFMUION-INIZCTEOSA-N 0 3 371.437 2.921 20 5 FFBDHN COc1cc(CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1[O-] ZINC000192924898 509701792 /nfs/dbraw/zinc/70/17/92/509701792.db2.gz WKWKMPVYFMUION-INIZCTEOSA-N 0 3 371.437 2.921 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@H]3CN3CCCC3)n2)c1 ZINC000170695222 509727866 /nfs/dbraw/zinc/72/78/66/509727866.db2.gz DUVFSOJXHTYOOP-INIZCTEOSA-N 0 3 357.414 2.705 20 5 FFBDHN CN(CC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000180208151 509813632 /nfs/dbraw/zinc/81/36/32/509813632.db2.gz SZZHGDNOFSXMND-UZLBHIALSA-N 0 3 368.437 2.593 20 5 FFBDHN CC(C)[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1F ZINC000180267181 509840463 /nfs/dbraw/zinc/84/04/63/509840463.db2.gz KTDNHMZEHXPZND-XJKSGUPXSA-N 0 3 370.812 2.932 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000183585800 509873583 /nfs/dbraw/zinc/87/35/83/509873583.db2.gz GBURDIOQKXCHKJ-HIFRSBDPSA-N 0 3 355.398 2.774 20 5 FFBDHN CN(CC1CCN(C)CC1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177106183 509875543 /nfs/dbraw/zinc/87/55/43/509875543.db2.gz TUERVZVDVOUDGL-UHFFFAOYSA-N 0 3 370.247 2.771 20 5 FFBDHN Cc1ccc(C)c(S(=O)(=O)N(C)CC[C@@H]2CCCCN2C)c1[N+](=O)[O-] ZINC000190018616 509887836 /nfs/dbraw/zinc/88/78/36/509887836.db2.gz IVPPTDOXWHWLJU-HNNXBMFYSA-N 0 3 369.487 2.707 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCC[C@H]2c2cc3ccccc3[nH]2)c1 ZINC000245446674 509942138 /nfs/dbraw/zinc/94/21/38/509942138.db2.gz LILSXLFDWVYFNM-APWZRJJASA-N 0 3 369.425 2.861 20 5 FFBDHN C[C@@H](CN1CCN(C)CC1)N[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180497704 509955797 /nfs/dbraw/zinc/95/57/97/509955797.db2.gz TZPSKPPEJSMHOR-LAUBAEHRSA-N 0 3 368.481 2.910 20 5 FFBDHN CCOc1ccc([C@H](C)N[C@H](C)[C@H](C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000245500494 509969226 /nfs/dbraw/zinc/96/92/26/509969226.db2.gz AJCRLFHNZQTMDZ-ILXRZTDVSA-N 0 3 351.447 2.753 20 5 FFBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177290281 509981525 /nfs/dbraw/zinc/98/15/25/509981525.db2.gz SCUYMGZERTZINW-LLVKDONJSA-N 0 3 370.247 2.771 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000193814082 510083953 /nfs/dbraw/zinc/08/39/53/510083953.db2.gz SAVHHTCFTAPTER-INIZCTEOSA-N 0 3 369.421 2.855 20 5 FFBDHN Cn1ccnc1[C@@H]1CNCCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000262003933 510145743 /nfs/dbraw/zinc/14/57/43/510145743.db2.gz LNVDDFJTKDWPQP-KRWDZBQOSA-N 0 3 367.409 2.735 20 5 FFBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000174661890 510236532 /nfs/dbraw/zinc/23/65/32/510236532.db2.gz FBLCOCZNEHSMJW-IINYFYTJSA-N 0 3 358.320 2.522 20 5 FFBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(C(F)(F)F)cc1 ZINC000174724094 510271127 /nfs/dbraw/zinc/27/11/27/510271127.db2.gz NGXRBFMVAKTIAG-HZMBPMFUSA-N 0 3 358.320 2.522 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000194474424 510383752 /nfs/dbraw/zinc/38/37/52/510383752.db2.gz GCKXMQLPKPLXBG-AWEZNQCLSA-N 0 3 364.446 2.523 20 5 FFBDHN CC(C)c1n[nH]c(C(=O)NCCCN2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000269400131 510385343 /nfs/dbraw/zinc/38/53/43/510385343.db2.gz SUPMMFLWIBBLFR-UHFFFAOYSA-N 0 3 371.441 2.620 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000194567827 510427832 /nfs/dbraw/zinc/42/78/32/510427832.db2.gz PNJZRVBYWGQICI-UHFFFAOYSA-N 0 3 357.410 2.774 20 5 FFBDHN CCN(C)CCNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000194604516 510442850 /nfs/dbraw/zinc/44/28/50/510442850.db2.gz XMDINQNFFPWQEP-UHFFFAOYSA-N 0 3 357.410 2.855 20 5 FFBDHN CCOC1CC(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)(N2CCOCC2)C1 ZINC000194647362 510464243 /nfs/dbraw/zinc/46/42/43/510464243.db2.gz NGHFGDMBCVMYHW-MNNVXMFVSA-N 0 3 363.458 2.515 20 5 FFBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000178181894 510474867 /nfs/dbraw/zinc/47/48/67/510474867.db2.gz OWAZNWGSWUZDPC-UHFFFAOYSA-N 0 3 360.389 2.520 20 5 FFBDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000178178189 510474923 /nfs/dbraw/zinc/47/49/23/510474923.db2.gz RFRJBGQCXMDFTR-UHFFFAOYSA-N 0 3 360.389 2.520 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H](CO)c1ccccc1 ZINC000269641270 510494937 /nfs/dbraw/zinc/49/49/37/510494937.db2.gz XTIZVEQXLPVNGK-GOSISDBHSA-N 0 3 357.410 2.897 20 5 FFBDHN CN(Cc1csc([N+](=O)[O-])c1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000188322969 510709491 /nfs/dbraw/zinc/70/94/91/510709491.db2.gz DFAKYJLRNJINMY-SFHVURJKSA-N 0 3 361.467 2.725 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000178730436 510742524 /nfs/dbraw/zinc/74/25/24/510742524.db2.gz HIGNNOBBQDMSSD-KXBFYZLASA-N 0 3 370.453 2.999 20 5 FFBDHN C[C@H](C(=O)N(CCN(C)C)Cc1ccccn1)c1ccc([N+](=O)[O-])cc1F ZINC000185209186 510747781 /nfs/dbraw/zinc/74/77/81/510747781.db2.gz YDNQCDWQIHEOCA-AWEZNQCLSA-N 0 3 374.416 2.823 20 5 FFBDHN Cc1cc(NC[C@H](O)CN2CCCCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000195303214 510773728 /nfs/dbraw/zinc/77/37/28/510773728.db2.gz IMKVAOZBPXSFCD-KRWDZBQOSA-N 0 3 371.441 2.619 20 5 FFBDHN CCN1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000172541803 510781786 /nfs/dbraw/zinc/78/17/86/510781786.db2.gz YZQUDROFSWJNQW-JTQLQIEISA-N 0 3 356.220 2.571 20 5 FFBDHN C[C@H](NCCOc1ccccc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000182194912 510809546 /nfs/dbraw/zinc/80/95/46/510809546.db2.gz OGHYQNNKBBSENK-ZDUSSCGKSA-N 0 3 364.423 2.728 20 5 FFBDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000247070994 510825507 /nfs/dbraw/zinc/82/55/07/510825507.db2.gz IWOGOPDOCXJNGW-GDBMZVCRSA-N 0 3 360.458 2.654 20 5 FFBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000247440252 510860968 /nfs/dbraw/zinc/86/09/68/510860968.db2.gz WRKFBIYPXKWIRK-IRXDYDNUSA-N 0 3 372.469 2.751 20 5 FFBDHN Cc1c(NC(=O)CCN2CCC[C@H](c3ccnn3C)C2)cccc1[N+](=O)[O-] ZINC000360305679 510894321 /nfs/dbraw/zinc/89/43/21/510894321.db2.gz LSDPPFIOFGGIGM-HNNXBMFYSA-N 0 3 371.441 2.845 20 5 FFBDHN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@H](N2CCCCC2)C1 ZINC000270878569 511013188 /nfs/dbraw/zinc/01/31/88/511013188.db2.gz VHMUHJLMIDFJNR-AWEZNQCLSA-N 0 3 354.410 2.843 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CN1C1CC1 ZINC000279381558 511062948 /nfs/dbraw/zinc/06/29/48/511062948.db2.gz VAFJGJCBGCYDKB-GXSJLCMTSA-N 0 3 355.797 2.671 20 5 FFBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccnn1CCN(C)C ZINC000297920492 511110013 /nfs/dbraw/zinc/11/00/13/511110013.db2.gz YFGCAMAHZCOXFN-UHFFFAOYSA-N 0 3 351.794 2.567 20 5 FFBDHN C[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000279627740 511151367 /nfs/dbraw/zinc/15/13/67/511151367.db2.gz IGNVYBXIAGSCSL-JTQLQIEISA-N 0 3 355.797 2.696 20 5 FFBDHN COc1ccc(NC(=O)CCN(C)[C@@H](CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000298067062 511165184 /nfs/dbraw/zinc/16/51/84/511165184.db2.gz JFXPPOAQIITTSX-SFHVURJKSA-N 0 3 373.409 2.597 20 5 FFBDHN C[C@@H](NCc1ccccc1CS(C)(=O)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294864954 511202723 /nfs/dbraw/zinc/20/27/23/511202723.db2.gz TYVIKZNJQCQOKF-GFCCVEGCSA-N 0 3 363.439 2.572 20 5 FFBDHN CC(=O)c1ccc(OC[C@@H](O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000271719639 511299804 /nfs/dbraw/zinc/29/98/04/511299804.db2.gz XNLLLXVCXFTWAL-ACJLOTCBSA-N 0 3 358.394 2.888 20 5 FFBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000295278610 511346211 /nfs/dbraw/zinc/34/62/11/511346211.db2.gz IIMVVQJILXNPBF-BBRMVZONSA-N 0 3 369.425 2.684 20 5 FFBDHN C[C@@H](N[C@@H]1CCN(c2ccccc2C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000363175185 511396877 /nfs/dbraw/zinc/39/68/77/511396877.db2.gz PAXYNDMRKQQFJV-UKRRQHHQSA-N 0 3 354.410 2.623 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](OC)C(C)(C)C1 ZINC000295867771 511540944 /nfs/dbraw/zinc/54/09/44/511540944.db2.gz FKTOPTVBOIVTAT-INIZCTEOSA-N 0 3 365.430 2.679 20 5 FFBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000283957900 511556573 /nfs/dbraw/zinc/55/65/73/511556573.db2.gz LKODCGLINFTHLH-LLVKDONJSA-N 0 3 370.247 2.832 20 5 FFBDHN O=C(c1ccc([N+](=O)[O-])cn1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000365738131 511629574 /nfs/dbraw/zinc/62/95/74/511629574.db2.gz GSIQZPFMMMFERD-IRXDYDNUSA-N 0 3 366.421 2.584 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@](CO)(Cc3ccccc3)C2)c1 ZINC000365841944 511681961 /nfs/dbraw/zinc/68/19/61/511681961.db2.gz PAZKGTREQWRUQX-NHCUHLMSSA-N 0 3 370.449 2.945 20 5 FFBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](N2CCCC2)C1 ZINC000363690115 511705281 /nfs/dbraw/zinc/70/52/81/511705281.db2.gz HQZONJKXAXGAHB-XJKSGUPXSA-N 0 3 357.414 2.876 20 5 FFBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(Cc4cccnc4)CC3)nc2c1 ZINC000274117236 511723459 /nfs/dbraw/zinc/72/34/59/511723459.db2.gz USIUPFFFMFQIJB-UHFFFAOYSA-N 0 3 352.398 2.578 20 5 FFBDHN COc1ccc(OCCN2CCC3(CCOCC3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000363792670 511771429 /nfs/dbraw/zinc/77/14/29/511771429.db2.gz GBQFNQCPIRNLIB-AWEZNQCLSA-N 0 3 350.415 2.873 20 5 FFBDHN CN(C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C1CCN(C)CC1 ZINC000281257895 511778231 /nfs/dbraw/zinc/77/82/31/511778231.db2.gz VDBHLMVBQGDGTL-UHFFFAOYSA-N 0 3 354.410 2.823 20 5 FFBDHN CNc1c(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000312486251 511784845 /nfs/dbraw/zinc/78/48/45/511784845.db2.gz JJYZMJKFCKGZDB-MRXNPFEDSA-N 0 3 368.437 2.983 20 5 FFBDHN COc1ccc(NC(=O)CCN2CCCO[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000293042150 511817851 /nfs/dbraw/zinc/81/78/51/511817851.db2.gz HCXVEFMWNQGFMO-QGZVFWFLSA-N 0 3 365.430 2.679 20 5 FFBDHN C[C@@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000293159652 511863018 /nfs/dbraw/zinc/86/30/18/511863018.db2.gz CHKIPYUIBVXCPY-HNNXBMFYSA-N 0 3 360.458 2.653 20 5 FFBDHN CCOC(=O)C[C@@](C)(NCc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)C ZINC000274742760 511926477 /nfs/dbraw/zinc/92/64/77/511926477.db2.gz KLSANAZMPGFYEF-GOSISDBHSA-N 0 3 366.414 2.919 20 5 FFBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(CO)(c3ccccc3)CC2)c1 ZINC000293479920 511979870 /nfs/dbraw/zinc/97/98/70/511979870.db2.gz YBVFFEYWQHLFFG-IBGZPJMESA-N 0 3 356.422 2.654 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000281880850 511999231 /nfs/dbraw/zinc/99/92/31/511999231.db2.gz GFDHKYZXBQTVLU-QWHCGFSZSA-N 0 3 350.419 2.940 20 5 FFBDHN CCC(=O)c1ccc(N[C@@H]2CCN(C3CCN(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000366430238 512018858 /nfs/dbraw/zinc/01/88/58/512018858.db2.gz ICOUJTODVSCRBA-OAHLLOKOSA-N 0 3 360.458 2.768 20 5 FFBDHN COc1cc(CN[C@H]2CCC[C@@H]2CCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000275229749 512081023 /nfs/dbraw/zinc/08/10/23/512081023.db2.gz JAXZMTSBTCEMCK-YPMHNXCESA-N 0 3 374.384 2.888 20 5 FFBDHN Cc1c([N+](=O)[O-])cc(C(=O)N2CCCC23CCN(C)CC3)cc1[N+](=O)[O-] ZINC000367359202 512461945 /nfs/dbraw/zinc/46/19/45/512461945.db2.gz UMYNMKOLCJGSNN-UHFFFAOYSA-N 0 3 362.386 2.512 20 5 FFBDHN Cn1cc(CN2CC[C@@H](c3nccn3C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000377890444 512500504 /nfs/dbraw/zinc/50/05/04/512500504.db2.gz VHFLFAAHJNITDD-OAHLLOKOSA-N 0 3 366.425 2.718 20 5 FFBDHN CN(C(=O)c1csc([N+](=O)[O-])c1)C1CCN(CCc2ccccn2)CC1 ZINC000374002900 512615403 /nfs/dbraw/zinc/61/54/03/512615403.db2.gz XHTXJIKGGZGTSG-UHFFFAOYSA-N 0 3 374.466 2.830 20 5 FFBDHN CCOc1ccc(NC(=O)CN[C@H](C)[C@](C)(OC)C2CC2)c([N+](=O)[O-])c1 ZINC000411973081 512896602 /nfs/dbraw/zinc/89/66/02/512896602.db2.gz RBDDDPYTEZGPGE-XIKOKIGWSA-N 0 3 365.430 2.725 20 5 FFBDHN CNc1c(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000389892134 512903223 /nfs/dbraw/zinc/90/32/23/512903223.db2.gz WOLVNSRVWOVZMD-RHSMWYFYSA-N 0 3 368.437 2.887 20 5 FFBDHN O=[N+]([O-])c1cc(F)cnc1NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000400235510 512962624 /nfs/dbraw/zinc/96/26/24/512962624.db2.gz ALONLJRNKQWXLX-UHFFFAOYSA-N 0 3 360.389 2.568 20 5 FFBDHN COc1cnccc1N1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450504508 513225070 /nfs/dbraw/zinc/22/50/70/513225070.db2.gz VCALWDXKZIZCJE-UHFFFAOYSA-N 0 3 365.393 2.873 20 5 FFBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCCN1C1CC1 ZINC000434418872 513318762 /nfs/dbraw/zinc/31/87/62/513318762.db2.gz GGWGZBXFBIBAOZ-SFHVURJKSA-N 0 3 360.458 2.920 20 5 FFBDHN CCC1(CC)[C@@H](NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1OC ZINC000429284607 513325939 /nfs/dbraw/zinc/32/59/39/513325939.db2.gz KXXPJUMMLFOTLL-IRXDYDNUSA-N 0 3 361.442 2.667 20 5 FFBDHN NC(=O)c1cc([N+](=O)[O-])cnc1NCCN1CCC2(CCCCC2)CC1 ZINC000440681159 513382093 /nfs/dbraw/zinc/38/20/93/513382093.db2.gz ZRPHDVDKELUVSF-UHFFFAOYSA-N 0 3 361.446 2.547 20 5 FFBDHN COc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cc2F)N(C)C)cc1OC ZINC000413030769 513396349 /nfs/dbraw/zinc/39/63/49/513396349.db2.gz VRKGDUDLTRUULU-CQSZACIVSA-N 0 3 364.377 2.861 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000440928374 513439740 /nfs/dbraw/zinc/43/97/40/513439740.db2.gz YIYQKTJDPIITIT-NTZNESFSSA-N 0 3 367.833 2.757 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000440928371 513440085 /nfs/dbraw/zinc/44/00/85/513440085.db2.gz YIYQKTJDPIITIT-GMXVVIOVSA-N 0 3 367.833 2.757 20 5 FFBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415902025 513468818 /nfs/dbraw/zinc/46/88/18/513468818.db2.gz VTQZLGZDRGDBKQ-UHFFFAOYSA-N 0 3 354.410 2.947 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)cnc1NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000434960589 513476498 /nfs/dbraw/zinc/47/64/98/513476498.db2.gz VEZANKJCEDEKLJ-KRWDZBQOSA-N 0 3 362.817 2.692 20 5 FFBDHN C[C@H](c1cccc(C(F)(F)F)c1)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441276560 513525714 /nfs/dbraw/zinc/52/57/14/513525714.db2.gz KLSHLTGQLWKRBZ-IAQYHMDHSA-N 0 3 372.347 2.864 20 5 FFBDHN COc1cc(CN2CCC[C@H]3CN(C)C[C@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000425357898 513528644 /nfs/dbraw/zinc/52/86/44/513528644.db2.gz PPTFEIHVZCOZPE-SMDDNHRTSA-N 0 3 371.384 2.731 20 5 FFBDHN CCCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccccc1OC ZINC000441289771 513532067 /nfs/dbraw/zinc/53/20/67/513532067.db2.gz VHFJHCXESKTZDD-GOEBONIOSA-N 0 3 362.430 2.634 20 5 FFBDHN O=[N+]([O-])c1ccc2[nH]c(=NCCCN3CCc4ccccc4C3)[nH]c2c1 ZINC000447676860 513540350 /nfs/dbraw/zinc/54/03/50/513540350.db2.gz DGXLSZQFWHEDDV-UHFFFAOYSA-N 0 3 351.410 2.753 20 5 FFBDHN O=C1CC[C@@H](NCc2ccc(Br)cc2[N+](=O)[O-])[C@H](C2CC2)N1 ZINC000425447802 513571901 /nfs/dbraw/zinc/57/19/01/513571901.db2.gz SXDUTAZZOXLMLC-DOMZBBRYSA-N 0 3 368.231 2.504 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@@H]3[C@@H]3CCC[C@@H]3O)n2)c1 ZINC000451420466 513740092 /nfs/dbraw/zinc/74/00/92/513740092.db2.gz PAHHYBSWNYBGRH-XHSDSOJGSA-N 0 3 358.398 2.770 20 5 FFBDHN CC(C)[C@@H](CNc1ccc([N+](=O)[O-])c2ncccc12)N1CCN(C)CC1 ZINC000448545591 513777577 /nfs/dbraw/zinc/77/75/77/513777577.db2.gz GJLCIDFBSRHQDA-GOSISDBHSA-N 0 3 357.458 2.827 20 5 FFBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H]2C[C@](C)(OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451485183 513780589 /nfs/dbraw/zinc/78/05/89/513780589.db2.gz IGXBZJLRJCUXCA-POHZPAGDSA-N 0 3 365.430 2.724 20 5 FFBDHN Cc1cc(S(=O)(=O)N(C)[C@@H](C)C2CCN(C)CC2)c(C)cc1[N+](=O)[O-] ZINC000416460083 513783074 /nfs/dbraw/zinc/78/30/74/513783074.db2.gz UNPFMQWYLKUXMB-AWEZNQCLSA-N 0 3 369.487 2.562 20 5 FFBDHN CN(C)[C@@H]1CCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000436320380 513826602 /nfs/dbraw/zinc/82/66/02/513826602.db2.gz SZRCBJQRVFELQJ-GFCCVEGCSA-N 0 3 371.387 2.736 20 5 FFBDHN O=c1cc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nc2ccccn12 ZINC000451554058 513829651 /nfs/dbraw/zinc/82/96/51/513829651.db2.gz YWUWKWYRMLQBNM-INIZCTEOSA-N 0 3 364.405 2.982 20 5 FFBDHN Cc1cc(NC(=O)CCN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000451569251 513840878 /nfs/dbraw/zinc/84/08/78/513840878.db2.gz OOYVPLUWLXXFPM-HNNXBMFYSA-N 0 3 358.398 2.521 20 5 FFBDHN C[C@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1C ZINC000448697174 513851076 /nfs/dbraw/zinc/85/10/76/513851076.db2.gz LFKBBLCFFQQHBF-LSDHHAIUSA-N 0 3 361.442 2.937 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](C(C)C)[C@@H](CO)C(C)C ZINC000451605386 513862537 /nfs/dbraw/zinc/86/25/37/513862537.db2.gz ZTTDCNRIFGSZBR-WMLDXEAASA-N 0 3 351.447 2.720 20 5 FFBDHN CN(C)C[C@@H]1CCc2ccccc2N1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000436718860 513955181 /nfs/dbraw/zinc/95/51/81/513955181.db2.gz BNYZVDWMJKBOSC-INIZCTEOSA-N 0 3 369.421 2.883 20 5 FFBDHN CCOc1ccc([C@@H](C)Nc2ccc(N3CCNCC3)cn2)cc1[N+](=O)[O-] ZINC000423234808 514086151 /nfs/dbraw/zinc/08/61/51/514086151.db2.gz QLGUAVRYOMLTGD-CQSZACIVSA-N 0 3 371.441 2.971 20 5 FFBDHN CC(C)OCCOC1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000451959638 514094560 /nfs/dbraw/zinc/09/45/60/514094560.db2.gz SMXZNXBZKMVELX-UHFFFAOYSA-N 0 3 352.431 2.880 20 5 FFBDHN C[C@H](CCN(C)C)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444025246 514101997 /nfs/dbraw/zinc/10/19/97/514101997.db2.gz TWWGEVJLRFKCQZ-GFCCVEGCSA-N 0 3 355.413 2.890 20 5 FFBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000449240671 514126052 /nfs/dbraw/zinc/12/60/52/514126052.db2.gz OHLGMOJPIUNIJB-MAUKXSAKSA-N 0 3 368.437 2.702 20 5 FFBDHN COc1ccc(-c2ccc(CN3CC[C@H](C(=O)N(C)C)C3)o2)c([N+](=O)[O-])c1 ZINC000414494906 514148710 /nfs/dbraw/zinc/14/87/10/514148710.db2.gz FVTCZZZQOOGYGY-ZDUSSCGKSA-N 0 3 373.409 2.774 20 5 FFBDHN CC(C)[C@H](CNc1ccnc2c1cccc2[N+](=O)[O-])N1CCN(C)CC1 ZINC000432334168 514164047 /nfs/dbraw/zinc/16/40/47/514164047.db2.gz JELVQILGJNZKMC-SFHVURJKSA-N 0 3 357.458 2.827 20 5 FFBDHN CCc1[n-]nc(-c2nc(-c3ccccc3OCC[NH+](C)C)no2)c1[N+](=O)[O-] ZINC000420508065 514176249 /nfs/dbraw/zinc/17/62/49/514176249.db2.gz ZGKHRTFIEFANLP-UHFFFAOYSA-N 0 3 372.385 2.538 20 5 FFBDHN COC(=O)COc1ccc(CN2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000449452308 514214521 /nfs/dbraw/zinc/21/45/21/514214521.db2.gz UHIKSMVXWOIAMV-OLPIVMHESA-N 0 3 372.421 2.791 20 5 FFBDHN CC[C@@H](NCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-])[C@@H](C)O ZINC000449537620 514247029 /nfs/dbraw/zinc/24/70/29/514247029.db2.gz GFNHBMDQTIBPAX-MWLCHTKSSA-N 0 3 366.336 2.794 20 5 FFBDHN COC(=O)COc1ccc(CN2C[C@@H](C3CC3)[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000449542637 514247332 /nfs/dbraw/zinc/24/73/32/514247332.db2.gz QUYKEFHRFITTCE-HNAYVOBHSA-N 0 3 360.410 2.767 20 5 FFBDHN CCOc1ccc(C(=O)NC[C@H](N)c2ccccc2CC)cc1[N+](=O)[O-] ZINC000423974762 514317003 /nfs/dbraw/zinc/31/70/03/514317003.db2.gz LDWLNQXTQTWAEQ-INIZCTEOSA-N 0 3 357.410 2.986 20 5 FFBDHN Cc1ccccc1[C@H](CC(F)(F)F)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000444778689 514329747 /nfs/dbraw/zinc/32/97/47/514329747.db2.gz JPARGGURZUVGFN-HIFRSBDPSA-N 0 3 372.347 2.744 20 5 FFBDHN Cn1cc(CN2CC(C)(C)[C@@H]3COC[C@@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449781605 514351709 /nfs/dbraw/zinc/35/17/09/514351709.db2.gz IULYHKCLPRLFRA-SJORKVTESA-N 0 3 356.426 2.852 20 5 FFBDHN COCCN(CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCCSC1 ZINC000433192936 514416288 /nfs/dbraw/zinc/41/62/88/514416288.db2.gz IFTXCTFRBXEGLO-CQSZACIVSA-N 0 3 370.471 2.826 20 5 FFBDHN COc1cc(CN(C)C[C@H]2CCCN2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000421006124 514435269 /nfs/dbraw/zinc/43/52/69/514435269.db2.gz PRPLULZHRYVACM-CYBMUJFWSA-N 0 3 373.400 2.773 20 5 FFBDHN NC(=O)c1cccc(N[C@@H]2CCCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000439098499 514493178 /nfs/dbraw/zinc/49/31/78/514493178.db2.gz JMJYFWSITUNVBY-OAHLLOKOSA-N 0 3 354.410 2.770 20 5 FFBDHN CC(C)[C@H](CNc1nccc2c1cccc2[N+](=O)[O-])N1CCN(C)CC1 ZINC000450242170 514561551 /nfs/dbraw/zinc/56/15/51/514561551.db2.gz KXFISCSNCSTYLO-SFHVURJKSA-N 0 3 357.458 2.827 20 5 FFBDHN C[C@@H](c1ccccc1)[C@H](O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000450260842 514569818 /nfs/dbraw/zinc/56/98/18/514569818.db2.gz LFTBNINCKMNUOX-OXJNMPFZSA-N 0 3 355.438 2.881 20 5 FFBDHN CCC[C@H]1CN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])CCN1CCOC ZINC000466199517 514573803 /nfs/dbraw/zinc/57/38/03/514573803.db2.gz DTXJJFMJHWJQHV-HNNXBMFYSA-N 0 3 369.437 2.675 20 5 FFBDHN CCN(CC)[C@H](CNC(=O)CCn1cc([N+](=O)[O-])nc1C)c1ccccc1 ZINC000497693933 514599611 /nfs/dbraw/zinc/59/96/11/514599611.db2.gz NBKYIBPLPRWJLT-QGZVFWFLSA-N 0 3 373.457 2.689 20 5 FFBDHN O=[N+]([O-])c1cccc([C@@H](NCCN2CCC(O)CC2)c2ccccc2)c1 ZINC000453379607 514614992 /nfs/dbraw/zinc/61/49/92/514614992.db2.gz QUUUFMUAFFLRJH-FQEVSTJZSA-N 0 3 355.438 2.731 20 5 FFBDHN Cc1cc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)ccc1CN(C)C ZINC000458255578 514667033 /nfs/dbraw/zinc/66/70/33/514667033.db2.gz BMFWYKQYCQUTLV-UHFFFAOYSA-N 0 3 357.366 2.946 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000458325857 514710761 /nfs/dbraw/zinc/71/07/61/514710761.db2.gz UCTZUPIGROIOQK-UHFFFAOYSA-N 0 3 362.361 2.630 20 5 FFBDHN O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000471281328 514824398 /nfs/dbraw/zinc/82/43/98/514824398.db2.gz CWNNANFVGSDXCV-HNNXBMFYSA-N 0 3 357.385 2.986 20 5 FFBDHN CN(C)CCN(C)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000480112954 514844624 /nfs/dbraw/zinc/84/46/24/514844624.db2.gz XOPVEKHCSCSJTK-UHFFFAOYSA-N 0 3 356.426 2.841 20 5 FFBDHN CC(C)OCC[C@@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000471551930 514927077 /nfs/dbraw/zinc/92/70/77/514927077.db2.gz QLRDCXAAUZZIHV-MRXNPFEDSA-N 0 3 352.431 2.614 20 5 FFBDHN COc1c(C(=O)Nc2cc(C)nn2C2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000476282314 514982517 /nfs/dbraw/zinc/98/25/17/514982517.db2.gz FBAIBTMLCFXCOX-UHFFFAOYSA-N 0 3 373.413 2.627 20 5 FFBDHN CN(CCC(=O)N1CCOc2ccccc21)CCc1cccc([N+](=O)[O-])c1 ZINC000503265396 514985252 /nfs/dbraw/zinc/98/52/52/514985252.db2.gz OREIUOGIPVAAEA-UHFFFAOYSA-N 0 3 369.421 2.885 20 5 FFBDHN CCN(C(=O)c1cc([N+](=O)[O-])nn1C)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000476381879 515027369 /nfs/dbraw/zinc/02/73/69/515027369.db2.gz YEYXDRGEKZQOAK-HOCLYGCPSA-N 0 3 371.441 2.626 20 5 FFBDHN C[C@H]1C[C@H]1N1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000489946956 515042905 /nfs/dbraw/zinc/04/29/05/515042905.db2.gz RGJWHKVRAFUAGL-RLFYNMQTSA-N 0 3 360.458 2.509 20 5 FFBDHN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000503483698 515050544 /nfs/dbraw/zinc/05/05/44/515050544.db2.gz CGOIJAWPSTVNCE-OAHLLOKOSA-N 0 3 372.425 2.755 20 5 FFBDHN COc1c(C(=O)N[C@H](C)CN(C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000476538285 515092341 /nfs/dbraw/zinc/09/23/41/515092341.db2.gz CDBWJXFFTUZTGB-CQSZACIVSA-N 0 3 357.410 2.854 20 5 FFBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000499243603 515254853 /nfs/dbraw/zinc/25/48/53/515254853.db2.gz MMICIKHXNFFXKB-UHFFFAOYSA-N 0 3 364.833 2.791 20 5 FFBDHN CCN1CCN(c2ccc(C(=O)NCc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000468393311 515337358 /nfs/dbraw/zinc/33/73/58/515337358.db2.gz SZMAMAQRUKCBDA-UHFFFAOYSA-N 0 3 368.437 2.667 20 5 FFBDHN Cc1n[nH]c(C(=O)N2CCN(C(C)(C)CC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000456687107 515352687 /nfs/dbraw/zinc/35/26/87/515352687.db2.gz FUISKPPGTXBHFL-UHFFFAOYSA-N 0 3 351.451 2.599 20 5 FFBDHN Cc1[nH]nc(C(=O)N2CCN(C(C)(C)CC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000456687107 515352696 /nfs/dbraw/zinc/35/26/96/515352696.db2.gz FUISKPPGTXBHFL-UHFFFAOYSA-N 0 3 351.451 2.599 20 5 FFBDHN CC(C)O[C@@H]1C[C@H](N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1(C)C ZINC000463401866 515478081 /nfs/dbraw/zinc/47/80/81/515478081.db2.gz BUSDEFQYHFMRSQ-IXDOHACOSA-N 0 3 361.442 2.882 20 5 FFBDHN C[C@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000491978287 515488250 /nfs/dbraw/zinc/48/82/50/515488250.db2.gz JHLAQOUXOHNYKB-YOEHRIQHSA-N 0 3 366.893 2.706 20 5 FFBDHN COc1cc(CN2CCN(C)[C@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000505592543 515599972 /nfs/dbraw/zinc/59/99/72/515599972.db2.gz TUGKJRPHZSOTBQ-NEPJUHHUSA-N 0 3 373.400 2.772 20 5 FFBDHN COc1cc(CN2C[C@@H](C)N(C)C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000505627284 515614267 /nfs/dbraw/zinc/61/42/67/515614267.db2.gz BXKANRXTAPVJIS-NEPJUHHUSA-N 0 3 373.400 2.772 20 5 FFBDHN C[C@H]1CCCN(c2ccc(C(=O)N(CCN(C)C)C3CC3)cc2[N+](=O)[O-])C1 ZINC000505635667 515617851 /nfs/dbraw/zinc/61/78/51/515617851.db2.gz OXSYKDOCTAUOKZ-HNNXBMFYSA-N 0 3 374.485 2.997 20 5 FFBDHN CC(C)N1CC[C@H](N(C)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000457088286 515641318 /nfs/dbraw/zinc/64/13/18/515641318.db2.gz RCKCVRZOMANCTR-INIZCTEOSA-N 0 3 360.458 2.750 20 5 FFBDHN CCOc1cc(CN[C@@]2(CO)C[C@H](OCC)C2(C)C)ccc1[N+](=O)[O-] ZINC000493570917 515644422 /nfs/dbraw/zinc/64/44/22/515644422.db2.gz CWFNLAWEQIVPRI-FUHWJXTLSA-N 0 3 352.431 2.649 20 5 FFBDHN CCO[C@H]1C[C@@H](NCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000459626494 515705376 /nfs/dbraw/zinc/70/53/76/515705376.db2.gz CJYIIFPZHPCPFQ-TXEJJXNPSA-N 0 3 360.357 2.904 20 5 FFBDHN CCOc1ccc([C@H](C)NCCN2CCO[C@@H](CC)C2)cc1[N+](=O)[O-] ZINC000494511715 515867146 /nfs/dbraw/zinc/86/71/46/515867146.db2.gz HMPFRBGQIJAAIA-HOCLYGCPSA-N 0 3 351.447 2.755 20 5 FFBDHN O=C(CCN1CCC(Oc2ccccn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000500990977 515930084 /nfs/dbraw/zinc/93/00/84/515930084.db2.gz UGFSCYPBRVTWIA-UHFFFAOYSA-N 0 3 370.409 2.862 20 5 FFBDHN COC(=O)[C@@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1C ZINC000469997510 516068998 /nfs/dbraw/zinc/06/89/98/516068998.db2.gz ZYKKEKUDSOQWOE-SWLSCSKDSA-N 0 3 359.382 2.676 20 5 FFBDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)c1c([N+](=O)[O-])ncn1C ZINC000470449801 516252805 /nfs/dbraw/zinc/25/28/05/516252805.db2.gz NWRJFLLSZDESOC-UHFFFAOYSA-N 0 3 371.363 2.915 20 5 FFBDHN C[C@H]1C[C@@H]1N1CCN(c2ncc(Br)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488727239 516294999 /nfs/dbraw/zinc/29/49/99/516294999.db2.gz WJRGMUKMWKPYDJ-GVXVVHGQSA-N 0 3 369.263 2.919 20 5 FFBDHN CN1C[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H](c2ccccc2)C1 ZINC000497401296 516320046 /nfs/dbraw/zinc/32/00/46/516320046.db2.gz ZBLNGMAUZWOIOI-HKUYNNGSSA-N 0 3 364.405 2.904 20 5 FFBDHN CN1CCN(CC2(C)CCN(c3c(F)cccc3[N+](=O)[O-])CC2)CC1 ZINC000557635323 516350026 /nfs/dbraw/zinc/35/00/26/516350026.db2.gz YNGRRJDZWQQLDE-UHFFFAOYSA-N 0 3 350.438 2.588 20 5 FFBDHN COC(=O)c1cc(C)nc(N[C@H]2CCN(C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000557639662 516353843 /nfs/dbraw/zinc/35/38/43/516353843.db2.gz SBFBJSLDKKPBOG-HOTGVXAUSA-N 0 3 370.409 2.942 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1CNCCCN1C(=O)c2ccccc2C1=O ZINC000512881055 516399224 /nfs/dbraw/zinc/39/92/24/516399224.db2.gz ZQFCUSKHJZTXKQ-UHFFFAOYSA-N 0 3 353.378 2.679 20 5 FFBDHN COc1ccc(CNC[C@@H](O)COc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000550763216 516411605 /nfs/dbraw/zinc/41/16/05/516411605.db2.gz HEQOUYPEKIKKJY-CQSZACIVSA-N 0 3 366.801 2.786 20 5 FFBDHN O=[N+]([O-])c1cccc(F)c1NCCCN1CCN(c2ccncc2)CC1 ZINC000561155957 516413685 /nfs/dbraw/zinc/41/36/85/516413685.db2.gz JNELAKFBJVIILR-UHFFFAOYSA-N 0 3 359.405 2.753 20 5 FFBDHN CN1CCN([C@H](CNCc2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000540481420 516575000 /nfs/dbraw/zinc/57/50/00/516575000.db2.gz PLVSMSZSICXOCQ-QGZVFWFLSA-N 0 3 360.483 2.735 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(N[C@@H](Cc2ccccc2)C(=O)NCCN(C)C)c1 ZINC000535987342 516580228 /nfs/dbraw/zinc/58/02/28/516580228.db2.gz ZHJJAYCAPGMTLX-SFHVURJKSA-N 0 3 370.453 2.604 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CN1C1CC1 ZINC000554699307 516593288 /nfs/dbraw/zinc/59/32/88/516593288.db2.gz BWJWVVBPLNDRLV-GXTWGEPZSA-N 0 3 371.441 2.543 20 5 FFBDHN CN(Cc1ccccc1)[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)C1CC1 ZINC000547855508 516600476 /nfs/dbraw/zinc/60/04/76/516600476.db2.gz VURHKAWDNJALDD-GOSISDBHSA-N 0 3 356.426 2.574 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1[C@H](C)[C@H](OC)C1(C)C ZINC000561503288 516620661 /nfs/dbraw/zinc/62/06/61/516620661.db2.gz ACWWSPUXDODKNA-QMMBQJITSA-N 0 3 365.430 2.580 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1[C@@H](C)[C@H](OC)C1(C)C ZINC000561503285 516620832 /nfs/dbraw/zinc/62/08/32/516620832.db2.gz ACWWSPUXDODKNA-CJTUPEFNSA-N 0 3 365.430 2.580 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC[C@@H](C)N2CCCCC2)c1C ZINC000544187979 516633287 /nfs/dbraw/zinc/63/32/87/516633287.db2.gz LKDHUEREKMRMGR-CQSZACIVSA-N 0 3 369.487 2.754 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H](C)N2CCC(C)CC2)c1 ZINC000540614453 516641650 /nfs/dbraw/zinc/64/16/50/516641650.db2.gz PCRDTGLQIKTONH-INIZCTEOSA-N 0 3 363.458 2.909 20 5 FFBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000561823224 516786850 /nfs/dbraw/zinc/78/68/50/516786850.db2.gz QNABLCJCKLFNGC-AAEUAGOBSA-N 0 3 353.369 2.501 20 5 FFBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCC[C@@H]1CN(C)C ZINC000519139859 516898151 /nfs/dbraw/zinc/89/81/51/516898151.db2.gz CZMKHAKOPNEEBQ-TZMCWYRMSA-N 0 3 369.849 2.958 20 5 FFBDHN COc1cc(C(=O)NC[C@H](C)N2CCCC[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000525560306 517076244 /nfs/dbraw/zinc/07/62/44/517076244.db2.gz NVINIKZMKHEPLM-OLZOCXBDSA-N 0 3 365.430 2.605 20 5 FFBDHN COc1cc(CN2CCC[C@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])cc1OC ZINC000552190217 517131210 /nfs/dbraw/zinc/13/12/10/517131210.db2.gz CWKCLRQDWNYIFS-KBPBESRZSA-N 0 3 350.415 2.861 20 5 FFBDHN CNc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)cc1[N+](=O)[O-] ZINC000520060985 517266906 /nfs/dbraw/zinc/26/69/06/517266906.db2.gz OFSMMJHZPCVPQI-SFHVURJKSA-N 0 3 356.426 2.978 20 5 FFBDHN CC(C)[C@@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCCCC1 ZINC000520499068 517412997 /nfs/dbraw/zinc/41/29/97/517412997.db2.gz WYEAVUXNLORNOU-IBGZPJMESA-N 0 3 374.485 2.754 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@H](C)N1CCCCC1 ZINC000542317554 517502407 /nfs/dbraw/zinc/50/24/07/517502407.db2.gz IXCNRDUKAIOVGM-AWEZNQCLSA-N 0 3 369.487 2.700 20 5 FFBDHN CCC(CC)[C@@H](CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)N(C)C ZINC000527136275 517523784 /nfs/dbraw/zinc/52/37/84/517523784.db2.gz DNLVPMJBTMARTI-MRXNPFEDSA-N 0 3 357.476 2.548 20 5 FFBDHN CN1CCN([C@H](CNCc2csc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000538283250 517539421 /nfs/dbraw/zinc/53/94/21/517539421.db2.gz RZXJGPMTAJCEII-CQSZACIVSA-N 0 3 366.512 2.796 20 5 FFBDHN CCCN(CC)C[C@H](C)NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000520897518 517546545 /nfs/dbraw/zinc/54/65/45/517546545.db2.gz FKJJSBVEUZHZOE-AWEZNQCLSA-N 0 3 357.476 2.610 20 5 FFBDHN COc1ccc([C@H](CN(C)C)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000560250762 517658220 /nfs/dbraw/zinc/65/82/20/517658220.db2.gz PWWBIVKWUBFECQ-KRWDZBQOSA-N 0 3 357.410 2.945 20 5 FFBDHN C[C@@H]1Cc2ccccc2[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000542666925 517678655 /nfs/dbraw/zinc/67/86/55/517678655.db2.gz ZTWXIDITPWIGPG-ACJLOTCBSA-N 0 3 360.435 2.892 20 5 FFBDHN NC[C@H]1c2ccccc2CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000563154528 517697797 /nfs/dbraw/zinc/69/77/97/517697797.db2.gz OYTRVJPCQHJINQ-KRWDZBQOSA-N 0 3 365.393 2.703 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC[C@@H](C)N2CCCCC2)c1 ZINC000542756899 517719750 /nfs/dbraw/zinc/71/97/50/517719750.db2.gz IIRIPRVWTMXRIJ-CQSZACIVSA-N 0 3 369.487 2.754 20 5 FFBDHN CNC(=O)CCN(C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000538739327 517757752 /nfs/dbraw/zinc/75/77/52/517757752.db2.gz RPOYEMYHWFQSPO-UHFFFAOYSA-N 0 3 356.426 2.931 20 5 FFBDHN COc1cc(C[C@H](CO)CNCc2ccc(C)c([N+](=O)[O-])c2)cc(OC)c1 ZINC000530631078 517889153 /nfs/dbraw/zinc/88/91/53/517889153.db2.gz QJHLCYBNZROQME-KRWDZBQOSA-N 0 3 374.437 2.861 20 5 FFBDHN COC[C@@](C)(CCO)NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000530697852 517927289 /nfs/dbraw/zinc/92/72/89/517927289.db2.gz RQKMMKSSVBFCEV-GOSISDBHSA-N 0 3 364.398 2.741 20 5 FFBDHN CCOC(=O)[C@@]1(C(C)C)CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000516950036 517934845 /nfs/dbraw/zinc/93/48/45/517934845.db2.gz UWCOKEMFHCNBRH-SFHVURJKSA-N 0 3 350.415 2.885 20 5 FFBDHN CC(C)[C@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)N1CCC(C)CC1 ZINC000557493332 518036367 /nfs/dbraw/zinc/03/63/67/518036367.db2.gz MXRNRUJAMQUZCC-KRWDZBQOSA-N 0 3 373.457 2.834 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCCOc1ccc(Cl)cc1 ZINC000563649225 518044646 /nfs/dbraw/zinc/04/46/46/518044646.db2.gz HBFDGLDHTVPZQN-CQSZACIVSA-N 0 3 366.801 2.657 20 5 FFBDHN C[C@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000557522298 518052839 /nfs/dbraw/zinc/05/28/39/518052839.db2.gz ZMSUSJCIZSQDMV-CYBMUJFWSA-N 0 3 354.410 2.552 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN(C)C2(CCCCC2)C1 ZINC000569739764 518266076 /nfs/dbraw/zinc/26/60/76/518266076.db2.gz QJRWFWPTMQHVTN-UHFFFAOYSA-N 0 3 360.458 2.792 20 5 FFBDHN C[C@@H]1CCSCCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000576129022 518444153 /nfs/dbraw/zinc/44/41/53/518444153.db2.gz KPMXUPUMFPTDHE-GFCCVEGCSA-N 0 3 351.428 2.720 20 5 FFBDHN NC(=O)[C@@H](NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(F)cc1 ZINC000570198174 518489721 /nfs/dbraw/zinc/48/97/21/518489721.db2.gz CKVNGKWSDJHVBQ-KRWDZBQOSA-N 0 3 356.357 2.574 20 5 FFBDHN COC(=O)c1cc(C)nc(N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000579154212 518546315 /nfs/dbraw/zinc/54/63/15/518546315.db2.gz XLVSUTXSHGAQOS-SGMGOOAPSA-N 0 3 364.446 2.863 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H](c2ccc(F)cc2)C1 ZINC000567541547 518575114 /nfs/dbraw/zinc/57/51/14/518575114.db2.gz FDDPGRFOINMXNQ-NVXWUHKLSA-N 0 3 360.385 2.963 20 5 FFBDHN CSCc1ccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000570447064 518611438 /nfs/dbraw/zinc/61/14/38/518611438.db2.gz UKNPZYFVGUCVOK-INIZCTEOSA-N 0 3 362.451 2.987 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CNCC1(c3ccccn3)CCC1)OCCO2 ZINC000586783038 518641645 /nfs/dbraw/zinc/64/16/45/518641645.db2.gz MIZJSAYTLQJCLT-UHFFFAOYSA-N 0 3 355.394 2.973 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)cc1 ZINC000567688151 518654846 /nfs/dbraw/zinc/65/48/46/518654846.db2.gz JVDOJNNWWJCXDK-IPMKNSEASA-N 0 3 372.446 2.687 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2CCCC(F)(F)C2)cc1 ZINC000579464876 518693509 /nfs/dbraw/zinc/69/35/09/518693509.db2.gz YGYJPVCXGRDFMA-GFCCVEGCSA-N 0 3 362.398 2.784 20 5 FFBDHN CCn1c(C)nc([N+](=O)[O-])c1N(CCN(C)C)Cc1ccc(F)cc1F ZINC000579753556 518836857 /nfs/dbraw/zinc/83/68/57/518836857.db2.gz DDSWHIBMDQUOTD-UHFFFAOYSA-N 0 3 367.400 2.966 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000582692920 518875219 /nfs/dbraw/zinc/87/52/19/518875219.db2.gz JBKQSPHPUVMBEI-TZIWHRDSSA-N 0 3 369.465 2.876 20 5 FFBDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000571007615 518881459 /nfs/dbraw/zinc/88/14/59/518881459.db2.gz SITYXXVWXYVNKO-CQSZACIVSA-N 0 3 357.476 2.610 20 5 FFBDHN CC(=O)N1C[C@@H]2CCC[C@@H](NCc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000588978434 518887696 /nfs/dbraw/zinc/88/76/96/518887696.db2.gz GNYLDTUHJDOUSI-NUEKZKHPSA-N 0 3 351.834 2.985 20 5 FFBDHN O=[N+]([O-])c1cc(N2CCN(C[C@H]3CCOC3)CC2)ccc1C(F)(F)F ZINC000589113804 518919361 /nfs/dbraw/zinc/91/93/61/518919361.db2.gz SUVRERISPGZPFL-GFCCVEGCSA-N 0 3 359.348 2.772 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H]2CCC[C@H]2C2CC2)cc1 ZINC000568619392 519131859 /nfs/dbraw/zinc/13/18/59/519131859.db2.gz BPKFQEJHBKKYBR-PBHICJAKSA-N 0 3 352.456 2.784 20 5 FFBDHN CCOC(=O)c1cc(C(=O)Nc2cccc3c2CCNC3)cc([N+](=O)[O-])c1 ZINC000580443457 519179563 /nfs/dbraw/zinc/17/95/63/519179563.db2.gz VXDDVAYKSSAVDX-UHFFFAOYSA-N 0 3 369.377 2.670 20 5 FFBDHN CS[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)C[C@H]1N1CCCC1 ZINC000583392192 519225333 /nfs/dbraw/zinc/22/53/33/519225333.db2.gz XZIUYTUBTKWTSY-HUUCEWRRSA-N 0 3 366.487 2.793 20 5 FFBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000568928534 519287674 /nfs/dbraw/zinc/28/76/74/519287674.db2.gz UQHRJJHQDAUIGA-NEPJUHHUSA-N 0 3 353.369 2.501 20 5 FFBDHN CN1CCN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1Cc1ccccc1 ZINC000578149354 519444599 /nfs/dbraw/zinc/44/45/99/519444599.db2.gz RUGYOVPDLLMFNE-IBGZPJMESA-N 0 3 355.438 2.832 20 5 FFBDHN COc1cc(CNCCc2cc(C)no2)c([N+](=O)[O-])cc1OCC(F)F ZINC000581039080 519489985 /nfs/dbraw/zinc/48/99/85/519489985.db2.gz LYCNKBKINGKOMC-UHFFFAOYSA-N 0 3 371.340 2.876 20 5 FFBDHN CCCN1CCC[C@H]1CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000581243434 519595000 /nfs/dbraw/zinc/59/50/00/519595000.db2.gz BOZYFIASBSZCRK-ROUUACIJSA-N 0 3 357.458 2.882 20 5 FFBDHN CC(C)(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@H](N)c1ccccc1 ZINC000591575884 519955730 /nfs/dbraw/zinc/95/57/30/519955730.db2.gz GMKHOMNSKCJVMB-QGZVFWFLSA-N 0 3 357.410 2.816 20 5 FFBDHN O=[N+]([O-])c1cccc(OCCN[C@@H](c2ccncc2)C2(CO)CCC2)c1 ZINC000602902355 519960665 /nfs/dbraw/zinc/96/06/65/519960665.db2.gz LGNYWDGRGKZHNU-SFHVURJKSA-N 0 3 357.410 2.862 20 5 FFBDHN Cn1c(CCN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)nc2ccccc21 ZINC000602963044 519994220 /nfs/dbraw/zinc/99/42/20/519994220.db2.gz SDPMYYGOSVCCCA-IBGZPJMESA-N 0 3 354.410 2.521 20 5 FFBDHN COc1cncc(/C=C\CCN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC000602963322 519997339 /nfs/dbraw/zinc/99/73/39/519997339.db2.gz VICQMDZRDWPCEA-ORUDLHBZSA-N 0 3 357.410 2.899 20 5 FFBDHN O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1)C1CC1 ZINC000594513912 520010122 /nfs/dbraw/zinc/01/01/22/520010122.db2.gz UUKNJLORFHAFNU-HOCLYGCPSA-N 0 3 357.414 2.675 20 5 FFBDHN Cn1nnc2c1CC[C@H](NCc1ccc(-c3ccccc3[N+](=O)[O-])o1)C2 ZINC000594515563 520012350 /nfs/dbraw/zinc/01/23/50/520012350.db2.gz NMMMUVAFUBBWSD-LBPRGKRZSA-N 0 3 353.382 2.630 20 5 FFBDHN CCOc1ccc([C@@H]2C[C@H]2NC[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000591764661 520028060 /nfs/dbraw/zinc/02/80/60/520028060.db2.gz JEVGZXVUWKLXRL-RYQLBKOJSA-N 0 3 372.421 2.879 20 5 FFBDHN CN(CCN1CCCCC1)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000600080802 520033972 /nfs/dbraw/zinc/03/39/72/520033972.db2.gz HREVWQCGPFYJNG-UHFFFAOYSA-N 0 3 370.247 2.915 20 5 FFBDHN O=[N+]([O-])c1cc2c(nc1N1CCCN(C[C@H]3CCCO3)CC1)CCCC2 ZINC000591895810 520072619 /nfs/dbraw/zinc/07/26/19/520072619.db2.gz CLZUICORNRYWNN-MRXNPFEDSA-N 0 3 360.458 2.560 20 5 FFBDHN Cc1ccc(CC2CN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000594732006 520121609 /nfs/dbraw/zinc/12/16/09/520121609.db2.gz JDZWVSUNWNKOBR-IBGZPJMESA-N 0 3 356.422 2.817 20 5 FFBDHN CCn1ccc(CN(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000616786210 520139270 /nfs/dbraw/zinc/13/92/70/520139270.db2.gz OZGQQXJJUSGXAQ-UHFFFAOYSA-N 0 3 360.414 2.885 20 5 FFBDHN COc1ccc(CC(=O)NC[C@@H]2CCN2C2CCCCC2)cc1[N+](=O)[O-] ZINC000600229423 520141271 /nfs/dbraw/zinc/14/12/71/520141271.db2.gz SEPYCHRYFRJCBM-INIZCTEOSA-N 0 3 361.442 2.669 20 5 FFBDHN Cc1c(NC(=O)CCN2CCC[C@H](n3ccnc3)C2)cccc1[N+](=O)[O-] ZINC000609157386 520213984 /nfs/dbraw/zinc/21/39/84/520213984.db2.gz HSWIFQRRJYJSOE-HNNXBMFYSA-N 0 3 357.414 2.765 20 5 FFBDHN CN(C)CCOc1ccc(CCNC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000609199407 520229995 /nfs/dbraw/zinc/22/99/95/520229995.db2.gz GLJTYNMPYLSVMB-UHFFFAOYSA-N 0 3 372.425 2.899 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1CN(CC(C)C)CCO1 ZINC000595003780 520253293 /nfs/dbraw/zinc/25/32/93/520253293.db2.gz JZUDNWCXPKGJLX-HOCLYGCPSA-N 0 3 351.447 2.611 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@H]21 ZINC000595046901 520268245 /nfs/dbraw/zinc/26/82/45/520268245.db2.gz CXHFOYVBTDUUCW-WPPQDWHVSA-N 0 3 361.442 2.901 20 5 FFBDHN CC(C)(C(=O)N1CCN(c2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000613012910 520269591 /nfs/dbraw/zinc/26/95/91/520269591.db2.gz VRHKJFXWFQQWAZ-UHFFFAOYSA-N 0 3 372.400 2.755 20 5 FFBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2cnc(C(F)(F)F)nc2)n1 ZINC000595058533 520272409 /nfs/dbraw/zinc/27/24/09/520272409.db2.gz CODOYIOPPXSZND-NEPJUHHUSA-N 0 3 370.335 2.874 20 5 FFBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000597859849 520286058 /nfs/dbraw/zinc/28/60/58/520286058.db2.gz ZHVDPBYXTQVAIT-LLVKDONJSA-N 0 3 357.357 2.799 20 5 FFBDHN CNc1ccc(C(=O)Nc2cc(CN(C)C)ccc2OC)cc1[N+](=O)[O-] ZINC000603590637 520317736 /nfs/dbraw/zinc/31/77/36/520317736.db2.gz HFPWKJWHHHEQCF-UHFFFAOYSA-N 0 3 358.398 2.959 20 5 FFBDHN CC(C)(C)N1CC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000597924395 520326856 /nfs/dbraw/zinc/32/68/56/520326856.db2.gz QSIGJBBKHSKHCK-CYBMUJFWSA-N 0 3 372.425 2.511 20 5 FFBDHN O=C(NCc1ccccc1[N+](=O)[O-])Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000595233771 520365237 /nfs/dbraw/zinc/36/52/37/520365237.db2.gz BCVMDRMGFHMDTF-KRWDZBQOSA-N 0 3 356.382 2.577 20 5 FFBDHN Cc1nccc([C@@H]2CCCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000603834060 520370277 /nfs/dbraw/zinc/37/02/77/520370277.db2.gz GDTLHDJRDNDHLH-OAHLLOKOSA-N 0 3 369.425 2.901 20 5 FFBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000613180809 520370652 /nfs/dbraw/zinc/37/06/52/520370652.db2.gz BXNQGFJMDGBDLC-HNNXBMFYSA-N 0 3 359.430 2.560 20 5 FFBDHN O=[N+]([O-])c1ccc(CN[C@@]2(CO)CCCN(Cc3ccccc3)C2)cc1 ZINC000609620416 520383617 /nfs/dbraw/zinc/38/36/17/520383617.db2.gz DZRUDBYKQNLRTH-FQEVSTJZSA-N 0 3 355.438 2.712 20 5 FFBDHN C[C@@H](c1ccccc1)N1CCC(NC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000609696254 520409565 /nfs/dbraw/zinc/40/95/65/520409565.db2.gz VFBIIKBSSFRZFX-AWEZNQCLSA-N 0 3 356.426 2.889 20 5 FFBDHN CCN(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)c1cccc(OC)c1 ZINC000604075315 520443263 /nfs/dbraw/zinc/44/32/63/520443263.db2.gz QDMDYJNHYDVUTC-INIZCTEOSA-N 0 3 360.414 2.744 20 5 FFBDHN O=[N+]([O-])c1cc(CNC[C@@H]2COCCN2)ccc1Oc1ccc(F)cc1 ZINC000600773382 520461580 /nfs/dbraw/zinc/46/15/80/520461580.db2.gz HJLAXOYMDBJNPQ-OAHLLOKOSA-N 0 3 361.373 2.604 20 5 FFBDHN CN(Cc1ccc(F)cc1[N+](=O)[O-])C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000595448403 520477854 /nfs/dbraw/zinc/47/78/54/520477854.db2.gz KBBFLSIEVXGRGF-FQEVSTJZSA-N 0 3 373.428 2.803 20 5 FFBDHN Cc1ccc(CN[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000610090253 520535365 /nfs/dbraw/zinc/53/53/65/520535365.db2.gz YSFCZMQGCPYWAQ-WOJBJXKFSA-N 0 3 369.465 2.876 20 5 FFBDHN O=[N+]([O-])c1cc(F)ccc1CN[C@H](C1CCOCC1)C1(CO)CCC1 ZINC000595554092 520548831 /nfs/dbraw/zinc/54/88/31/520548831.db2.gz RQLWQPYVCHCHLT-QGZVFWFLSA-N 0 3 352.406 2.781 20 5 FFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000610135244 520553594 /nfs/dbraw/zinc/55/35/94/520553594.db2.gz NLQKOJUTGKOLOF-HUUCEWRRSA-N 0 3 369.487 2.705 20 5 FFBDHN CCCN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H]1CCN(C)C1 ZINC000592830326 520607203 /nfs/dbraw/zinc/60/72/03/520607203.db2.gz CVXXPZVDOBMGEI-QGZVFWFLSA-N 0 3 374.485 2.754 20 5 FFBDHN COc1ccc(OCCN2CCc3ccc(O)cc3CC2)c([N+](=O)[O-])c1 ZINC000610390304 520661534 /nfs/dbraw/zinc/66/15/34/520661534.db2.gz IITFWABVFBBLKO-UHFFFAOYSA-N 0 3 358.394 2.789 20 5 FFBDHN CC[C@@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)N1 ZINC000598530970 520683611 /nfs/dbraw/zinc/68/36/11/520683611.db2.gz BQFFFRNYJURQKA-WCQYABFASA-N 0 3 355.822 2.616 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]2CCN(C)[C@H]2c2ccccc2)c1 ZINC000593031408 520695418 /nfs/dbraw/zinc/69/54/18/520695418.db2.gz VZWVNRARLRIRBC-MJGOQNOKSA-N 0 3 369.421 2.916 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H]2CCN(C)[C@@H]2c2ccccc2)c1 ZINC000593031409 520695455 /nfs/dbraw/zinc/69/54/55/520695455.db2.gz VZWVNRARLRIRBC-PKOBYXMFSA-N 0 3 369.421 2.916 20 5 FFBDHN CN(C)C1(CNC(=O)c2c(F)cccc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000601227047 520698685 /nfs/dbraw/zinc/69/86/85/520698685.db2.gz QFFFAEVDXHGAIG-UHFFFAOYSA-N 0 3 357.385 2.563 20 5 FFBDHN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCN(CC2CC2)C1 ZINC000598557343 520704143 /nfs/dbraw/zinc/70/41/43/520704143.db2.gz FDQVQAVFOQOAOX-INIZCTEOSA-N 0 3 373.453 2.796 20 5 FFBDHN CN(c1ccccc1)[C@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000595825995 520748414 /nfs/dbraw/zinc/74/84/14/520748414.db2.gz ISXBZKSCJCCYFA-ZWKOTPCHSA-N 0 3 371.437 2.545 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593128356 520766792 /nfs/dbraw/zinc/76/67/92/520766792.db2.gz GWHKKUNERRLRSK-KBXCAEBGSA-N 0 3 371.412 2.913 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593128358 520767732 /nfs/dbraw/zinc/76/77/32/520767732.db2.gz GWHKKUNERRLRSK-KSSFIOAISA-N 0 3 371.412 2.913 20 5 FFBDHN COc1ccccc1N1CC[C@@H](NCCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000610682034 520795269 /nfs/dbraw/zinc/79/52/69/520795269.db2.gz DUFXNBPRYBOIBS-MRXNPFEDSA-N 0 3 355.394 2.541 20 5 FFBDHN Cc1sc(C(=O)N2CC[C@@H](OCCN3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000610733463 520819854 /nfs/dbraw/zinc/81/98/54/520819854.db2.gz VURBHEXDYLPQDP-CQSZACIVSA-N 0 3 367.471 2.682 20 5 FFBDHN COc1cc(CN(C)C)ccc1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000601620252 520868403 /nfs/dbraw/zinc/86/84/03/520868403.db2.gz ILYYYNLCEPGQQN-UHFFFAOYSA-N 0 3 359.382 2.683 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1cnccc1C(F)(F)F ZINC000596069407 520892132 /nfs/dbraw/zinc/89/21/32/520892132.db2.gz GKGZCIVTLUPTKL-GFCCVEGCSA-N 0 3 371.315 2.538 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000593336209 520918652 /nfs/dbraw/zinc/91/86/52/520918652.db2.gz DUXQJPILEBUXTR-FQEVSTJZSA-N 0 3 369.421 2.998 20 5 FFBDHN COC(=O)c1c(Cl)c(N(C)[C@H]2CCN(C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000596137767 520935157 /nfs/dbraw/zinc/93/51/57/520935157.db2.gz WIOKWAQVWVFWCU-MNOVXSKESA-N 0 3 355.822 2.954 20 5 FFBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000611185035 521028961 /nfs/dbraw/zinc/02/89/61/521028961.db2.gz OOVYGDWAERFRHL-FXAWDEMLSA-N 0 3 371.437 2.856 20 5 FFBDHN Cn1c2cc(NC[C@H]3CCN3C3CCCCC3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000599128380 521044469 /nfs/dbraw/zinc/04/44/69/521044469.db2.gz YVOYOHJSZSEFBL-CQSZACIVSA-N 0 3 373.457 2.604 20 5 FFBDHN O=[N+]([O-])c1ccc2[nH]c(=NCC3CCN(Cc4ccncc4)CC3)[nH]c2c1 ZINC000596436665 521069291 /nfs/dbraw/zinc/06/92/91/521069291.db2.gz NJWJQCJRNPOLSV-UHFFFAOYSA-N 0 3 366.425 2.612 20 5 FFBDHN Cc1c(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000596630231 521176439 /nfs/dbraw/zinc/17/64/39/521176439.db2.gz HHWMJLNDWBEWPF-WDEREUQCSA-N 0 3 362.304 2.826 20 5 FFBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CCN(C2CCOCC2)CC1 ZINC000602469878 521363703 /nfs/dbraw/zinc/36/37/03/521363703.db2.gz AKEBOSWGGJXZSD-UHFFFAOYSA-N 0 3 373.375 2.910 20 5 FFBDHN CO[C@@H](CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CCOCC1 ZINC000602472769 521365339 /nfs/dbraw/zinc/36/53/39/521365339.db2.gz BQYGGCNMHTZJGL-IBGZPJMESA-N 0 3 364.442 2.880 20 5 FFBDHN CCN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000596900349 521366655 /nfs/dbraw/zinc/36/66/55/521366655.db2.gz MVBZBDKUBLPCSC-LBPRGKRZSA-N 0 3 371.235 2.915 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])CN1C1CC1 ZINC000599659917 521372101 /nfs/dbraw/zinc/37/21/01/521372101.db2.gz LSMQKTVMFWJUDU-ZJUUUORDSA-N 0 3 368.231 2.712 20 5 FFBDHN CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCN(c2cnccn2)CC1 ZINC000619058285 521376182 /nfs/dbraw/zinc/37/61/82/521376182.db2.gz HACLEQFONNNREH-UHFFFAOYSA-N 0 3 368.397 2.627 20 5 FFBDHN CC(C)Oc1ncccc1CNC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602499765 521381381 /nfs/dbraw/zinc/38/13/81/521381381.db2.gz LULQYXOQTJBLIY-UHFFFAOYSA-N 0 3 371.441 2.931 20 5 FFBDHN CCN1CCN([C@@H](C)CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602513227 521388073 /nfs/dbraw/zinc/38/80/73/521388073.db2.gz AUBRRIIWPDPMGK-ZDUSSCGKSA-N 0 3 374.407 2.729 20 5 FFBDHN O=C(CCCNCc1cc(Br)c([N+](=O)[O-])s1)NC1CC1 ZINC000602512351 521388193 /nfs/dbraw/zinc/38/81/93/521388193.db2.gz APOVRKTYLNNUHM-UHFFFAOYSA-N 0 3 362.249 2.567 20 5 FFBDHN COC(=O)C1C[C@@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000599695337 521407210 /nfs/dbraw/zinc/40/72/10/521407210.db2.gz LLIWGTHXZWPBLP-CHWSQXEVSA-N 0 3 363.414 2.585 20 5 FFBDHN CC(C)OCCN1CCC(NCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602572773 521416855 /nfs/dbraw/zinc/41/68/55/521416855.db2.gz NAGOXGGIODXDTB-UHFFFAOYSA-N 0 3 362.430 2.715 20 5 FFBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000594199233 521464976 /nfs/dbraw/zinc/46/49/76/521464976.db2.gz IGRAZEJQHLSKPD-MSOLQXFVSA-N 0 3 369.425 2.527 20 5 FFBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597093489 521499693 /nfs/dbraw/zinc/49/96/93/521499693.db2.gz WNMLMKJSNWUYQB-ZYHUDNBSSA-N 0 3 367.837 2.921 20 5 FFBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3ccc(O[C@@H]4CCOC4)cc3)CC2)n1 ZINC000597119735 521519131 /nfs/dbraw/zinc/51/91/31/521519131.db2.gz XSRDJVPGABPLMK-GOSISDBHSA-N 0 3 372.425 2.796 20 5 FFBDHN COc1ccc2c(c1)CC[C@@H]([NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-])C2 ZINC000612194048 521525686 /nfs/dbraw/zinc/52/56/86/521525686.db2.gz PXEZIABPQPDTTG-OAHLLOKOSA-N 0 3 358.394 2.965 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000602781981 521529858 /nfs/dbraw/zinc/52/98/58/521529858.db2.gz IQJMQORRNDINFV-MRXNPFEDSA-N 0 3 357.458 2.696 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000602810251 521545645 /nfs/dbraw/zinc/54/56/45/521545645.db2.gz GFXIQVOHQNUFNJ-MRXNPFEDSA-N 0 3 368.441 2.862 20 5 FFBDHN COC(=O)[C@@H]1OCC[C@@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000597191578 521566327 /nfs/dbraw/zinc/56/63/27/521566327.db2.gz DVDAHNAUDKSOIP-XJKSGUPXSA-N 0 3 362.407 2.743 20 5 FFBDHN CN1CCC(n2ccc(NC(=O)Nc3cc(F)cc([N+](=O)[O-])c3)n2)CC1 ZINC000470148282 560975319 /nfs/dbraw/zinc/97/53/19/560975319.db2.gz JRMAADMIMGESEY-UHFFFAOYSA-N 0 3 362.365 2.841 20 5 FFBDHN CCN1CCN(C[C@H](C)CNc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000473517945 561051774 /nfs/dbraw/zinc/05/17/74/561051774.db2.gz CIFKNWHXESOXLR-OAHLLOKOSA-N 0 3 357.458 2.829 20 5 FFBDHN C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820419587 599375715 /nfs/dbraw/zinc/37/57/15/599375715.db2.gz IJZXCSYMZPIITF-GFCCVEGCSA-N 0 3 354.370 2.505 20 5 FFBDHN C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820419587 599375718 /nfs/dbraw/zinc/37/57/18/599375718.db2.gz IJZXCSYMZPIITF-GFCCVEGCSA-N 0 3 354.370 2.505 20 5 FFBDHN C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000825851947 607448903 /nfs/dbraw/zinc/44/89/03/607448903.db2.gz YPJOJSSPTWYZPK-MRXNPFEDSA-N 0 3 371.376 2.629 20 5 FFBDHN COc1ccc(C[NH2+]CC=Cc2ccccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826202702 607568136 /nfs/dbraw/zinc/56/81/36/607568136.db2.gz JAPJOHUKNPQMLL-GQCTYLIASA-N 0 3 366.381 2.587 20 5 FFBDHN COc1ccc(C[NH2+]CC=Cc2ccccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826202702 607568137 /nfs/dbraw/zinc/56/81/37/607568137.db2.gz JAPJOHUKNPQMLL-GQCTYLIASA-N 0 3 366.381 2.587 20 5 FFBDHN O=[N+]([O-])c1ccc(NC2CC[NH+](C3CCCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000823640039 606405342 /nfs/dbraw/zinc/40/53/42/606405342.db2.gz QDHHERLBLPHPLF-UHFFFAOYSA-N 0 3 357.418 2.594 20 5 FFBDHN O=[N+]([O-])c1ccc(NC2CC[NH+](C3CCCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000823640039 606405343 /nfs/dbraw/zinc/40/53/43/606405343.db2.gz QDHHERLBLPHPLF-UHFFFAOYSA-N 0 3 357.418 2.594 20 5 FFBDHN Cc1c([C@@H](C)[NH2+]CCOc2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000826235687 608280366 /nfs/dbraw/zinc/28/03/66/608280366.db2.gz OXYAQLWAQAMWIJ-CYBMUJFWSA-N 0 3 368.397 2.813 20 5 FFBDHN C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824648958 609314073 /nfs/dbraw/zinc/31/40/73/609314073.db2.gz JZBURIHZBFYHHJ-TZMCWYRMSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000824648958 609314075 /nfs/dbraw/zinc/31/40/75/609314075.db2.gz JZBURIHZBFYHHJ-TZMCWYRMSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824648958 609314077 /nfs/dbraw/zinc/31/40/77/609314077.db2.gz JZBURIHZBFYHHJ-TZMCWYRMSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000824648958 609314078 /nfs/dbraw/zinc/31/40/78/609314078.db2.gz JZBURIHZBFYHHJ-TZMCWYRMSA-N 0 3 371.445 2.840 20 5 FFBDHN Cc1cnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164901703 721512917 /nfs/dbraw/zinc/51/29/17/721512917.db2.gz YDLPQNDFWUKPEQ-NVXWUHKLSA-N 0 3 372.400 2.779 20 5 FFBDHN Cn1cc([C@]2(CNCc3ccc([N+](=O)[O-])c(Cl)c3)CCCO2)cn1 ZINC000898056389 735308239 /nfs/dbraw/zinc/30/82/39/735308239.db2.gz GEQIVQWNLIJBGG-MRXNPFEDSA-N 0 3 350.806 2.777 20 5 FFBDHN CCN(CC)CC(=O)N1CCN(c2cc(C)c([N+](=O)[O-])cc2Cl)CC1 ZINC000747216198 735544284 /nfs/dbraw/zinc/54/42/84/735544284.db2.gz OQLMEUIYFDHIMY-UHFFFAOYSA-N 0 3 368.865 2.547 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[C@H]1N(C)C ZINC000860447560 730512717 /nfs/dbraw/zinc/51/27/17/730512717.db2.gz QRVCDPQNTSUOBG-IAGOWNOFSA-N 0 3 359.451 2.866 20 5 FFBDHN CCN(C(=O)c1cccc([N+](=O)[O-])c1Br)C1CCN(C)CC1 ZINC000863921287 730815389 /nfs/dbraw/zinc/81/53/89/730815389.db2.gz ANYMYKLMDPLEIW-UHFFFAOYSA-N 0 3 370.247 2.914 20 5 FFBDHN CC(C)CN(CC1CCN(C)CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000867864823 731236012 /nfs/dbraw/zinc/23/60/12/731236012.db2.gz LBXVFWGBRMTFGD-UHFFFAOYSA-N 0 3 369.487 2.583 20 5 FFBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000874834507 732105501 /nfs/dbraw/zinc/10/55/01/732105501.db2.gz SFXIXUGLQUEWHR-KBPBESRZSA-N 0 3 357.332 2.922 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000874844033 732107130 /nfs/dbraw/zinc/10/71/30/732107130.db2.gz QEYQNNZFQBFQID-FPMFFAJLSA-N 0 3 367.833 2.711 20 5 FFBDHN C[C@](CO)(NC[C@H](O)c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000879272941 732676613 /nfs/dbraw/zinc/67/66/13/732676613.db2.gz FOUCORCMPRWESP-DLBZAZTESA-N 0 3 350.802 2.779 20 5 FFBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCSC[C@H]1c1ccccc1 ZINC000880387982 732900680 /nfs/dbraw/zinc/90/06/80/732900680.db2.gz ODQKWUMNBKJTBG-KRWDZBQOSA-N 0 3 359.451 2.937 20 5 FFBDHN CCOc1ccc([C@H](C)NCC(C)(C)CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000926952604 738672879 /nfs/dbraw/zinc/67/28/79/738672879.db2.gz BUDWKAYLVGHTMN-LBPRGKRZSA-N 0 3 358.460 2.715 20 5 FFBDHN O=[N+]([O-])c1ccc(CN[C@H](CO)C[C@H](O)c2ccccc2)cc1Cl ZINC000783648852 738822787 /nfs/dbraw/zinc/82/27/87/738822787.db2.gz ASENCVDMCOCVQU-YOEHRIQHSA-N 0 3 350.802 2.822 20 5 FFBDHN COC(=O)C[C@H](N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000754543965 736170539 /nfs/dbraw/zinc/17/05/39/736170539.db2.gz YZDGZTGSMLLBSG-ZANVPECISA-N 0 3 369.805 2.507 20 5 FFBDHN O=[N+]([O-])c1cc(CNC[C@H](O)CCC2(O)CCC2)cc(C(F)(F)F)c1 ZINC000905238383 736316235 /nfs/dbraw/zinc/31/62/35/736316235.db2.gz PZUBQIUNZORRNO-CQSZACIVSA-N 0 3 362.348 2.759 20 5 FFBDHN O=C(CN[C@H]1Cc2cccc(O)c2C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000759723112 736588804 /nfs/dbraw/zinc/58/88/04/736588804.db2.gz WEWWBUJBDMPWEI-LBPRGKRZSA-N 0 3 361.785 2.649 20 5 FFBDHN C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768812696 737461158 /nfs/dbraw/zinc/46/11/58/737461158.db2.gz LXKUSKDSEHSWNR-JHJVBQTASA-N 0 3 373.500 2.682 20 5 FFBDHN CN1C[C@@H](CCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1=O ZINC000922487416 738153579 /nfs/dbraw/zinc/15/35/79/738153579.db2.gz CTERZVLJOMHKBJ-LBPRGKRZSA-N 0 3 360.439 2.676 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000777310869 738277217 /nfs/dbraw/zinc/27/72/17/738277217.db2.gz SVUSMNKJWXMISL-HUUCEWRRSA-N 0 3 367.446 2.694 20 5 FFBDHN CN1C[C@H]2CCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000930544027 739124511 /nfs/dbraw/zinc/12/45/11/739124511.db2.gz KBCUNSGVONOXSC-RNCFNFMXSA-N 0 3 369.219 2.525 20 5 FFBDHN CC(C)(C)N1CCCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CC1 ZINC000931124572 739215764 /nfs/dbraw/zinc/21/57/64/739215764.db2.gz QIVYGGUXOLNXDE-UHFFFAOYSA-N 0 3 372.828 2.916 20 5 FFBDHN O=[N+]([O-])c1ccn(CCN[C@@H]2CCOc3ccc(Br)cc32)n1 ZINC000932211206 739406847 /nfs/dbraw/zinc/40/68/47/739406847.db2.gz VBDSFDHGSNAUCV-GFCCVEGCSA-N 0 3 367.203 2.667 20 5 FFBDHN COC(=O)CC1(NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCCC1 ZINC000791585558 739581350 /nfs/dbraw/zinc/58/13/50/739581350.db2.gz MLEKTRBBMRKBPN-UHFFFAOYSA-N 0 3 369.805 2.652 20 5 FFBDHN CN(C)CCN(C(=O)c1cccc([N+](=O)[O-])c1Br)C1CC1 ZINC000807267462 741124619 /nfs/dbraw/zinc/12/46/19/741124619.db2.gz AASJCDBTYMACCN-UHFFFAOYSA-N 0 3 356.220 2.524 20 5 FFBDHN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813113084 741678386 /nfs/dbraw/zinc/67/83/86/741678386.db2.gz XFUWAWOQKNHSCM-JTQLQIEISA-N 0 3 351.790 2.893 20 5 FFBDHN CC(COC(=O)c1nn(-c2ccc(F)cc2)cc1Br)[N+](=O)[O-] ZINC000813110735 741678417 /nfs/dbraw/zinc/67/84/17/741678417.db2.gz IHZONTPWQAJEOC-MRVPVSSYSA-N 0 3 372.150 2.596 20 5 FFBDHN CS(=O)(=O)CCCCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000822494947 742743416 /nfs/dbraw/zinc/74/34/16/742743416.db2.gz ZNIKHQYYXSSARH-UHFFFAOYSA-N 0 3 355.243 2.816 20 5 FFBDHN Cc1cc(Cl)c(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000826047767 743361294 /nfs/dbraw/zinc/36/12/94/743361294.db2.gz OOTGELZQUVEBKO-ZDUSSCGKSA-N 0 3 369.849 2.739 20 5 FFBDHN CC([C@@H](OC(=O)CCNC(=O)C(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845872539 748340993 /nfs/dbraw/zinc/34/09/93/748340993.db2.gz JGGXSLCYECHPNZ-XHDPSFHLSA-N 0 3 354.378 2.628 20 5 FFBDHN COC(=O)N(C)CCCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845874664 748341287 /nfs/dbraw/zinc/34/12/87/748341287.db2.gz JHVJKRAAWXWFAJ-NHYWBVRUSA-N 0 3 356.350 2.554 20 5 FFBDHN CC(C)CC(=O)NCCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845879474 748343181 /nfs/dbraw/zinc/34/31/81/748343181.db2.gz VKPRTHHQFNDLRQ-SJKOYZFVSA-N 0 3 354.378 2.628 20 5 FFBDHN O=[N+]([O-])c1ccc(Br)cc1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252565336 845770951 /nfs/dbraw/zinc/77/09/51/845770951.db2.gz YTOONPZCDIWBCI-RYUDHWBXSA-N 0 3 356.220 2.632 20 5 FFBDHN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N(C)CCN2CCCC2)CC1 ZINC000103119298 969793722 /nfs/dbraw/zinc/79/37/22/969793722.db2.gz CZXIGGAFVCLJCS-UHFFFAOYSA-N 0 3 374.485 2.999 20 5 FFBDHN COc1ccc(OC(F)F)c(CNC2CC(n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000877084370 1014472419 /nfs/dbraw/zinc/47/24/19/1014472419.db2.gz MAPRBSBWZNWGQQ-UHFFFAOYSA-N 0 3 368.340 2.895 20 5 FFBDHN C[C@@H]1[C@@H](N(C)C)CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000646474577 986381889 /nfs/dbraw/zinc/38/18/89/986381889.db2.gz YCKIENPYJSZBRC-QAPCUYQASA-N 0 3 363.461 2.706 20 5 FFBDHN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000915297297 988395322 /nfs/dbraw/zinc/39/53/22/988395322.db2.gz BTKLAYIHWXVVEZ-NWDGAFQWSA-N 0 3 364.402 2.804 20 5 FFBDHN COc1ccc(-c2ccc(CNC[C@@H]3C[C@@H]4COC[C@@H]4O3)o2)c([N+](=O)[O-])c1 ZINC000922726194 988846388 /nfs/dbraw/zinc/84/63/88/988846388.db2.gz SJZJKCJIDWHXQT-YFROIQMUSA-N 0 3 374.393 2.757 20 5 FFBDHN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813113176 995625239 /nfs/dbraw/zinc/62/52/39/995625239.db2.gz BTDPLYFVIBVUFR-LBPRGKRZSA-N 0 3 367.361 2.516 20 5 FFBDHN CC([C@@H](OC(=O)CCCn1ccccc1=O)c1ccccc1F)[N+](=O)[O-] ZINC000845874737 998676986 /nfs/dbraw/zinc/67/69/86/998676986.db2.gz ILWKPIVHGMJPCE-SCLBCKFNSA-N 0 3 362.357 2.717 20 5 FFBDHN CCC(=O)N1CCC[C@H](C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])C1 ZINC000845875928 998677178 /nfs/dbraw/zinc/67/71/78/998677178.db2.gz OFHPSIKWCNKCTR-IIYDPXPESA-N 0 3 366.389 2.724 20 5 FFBDHN CC([C@@H](OC(=O)[C@H]1CCc2ncncc2C1)c1ccccc1F)[N+](=O)[O-] ZINC000845875814 998677189 /nfs/dbraw/zinc/67/71/89/998677189.db2.gz COVNKDWCXSWCCW-BWACUDIHSA-N 0 3 359.357 2.670 20 5 FFBDHN CC(=O)Nc1cc(-n2ccc([C@@H](C)N)n2)c([N+](=O)[O-])cc1Br ZINC001169235556 1000031321 /nfs/dbraw/zinc/03/13/21/1000031321.db2.gz XEQLGAUYMIQDRA-SSDOTTSWSA-N 0 3 368.191 2.521 20 5 FFBDHN CCOC(=O)C[C@H](Nc1cc2c(cc1[N+](=O)[O-])CNC2)c1cccnc1 ZINC001169675494 1000070318 /nfs/dbraw/zinc/07/03/18/1000070318.db2.gz BXBWDFFBDZJKEZ-HNNXBMFYSA-N 0 3 356.382 2.699 20 5 FFBDHN C[C@]1(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CCN(Cc2ccccc2)C1 ZINC000846593788 1000382632 /nfs/dbraw/zinc/38/26/32/1000382632.db2.gz SOBXUOHAEKWUDW-IBGZPJMESA-N 0 3 372.400 2.711 20 5 FFBDHN Cc1ccc(C(=O)NCCN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1F ZINC000788517793 1001816522 /nfs/dbraw/zinc/81/65/22/1001816522.db2.gz DVYCDKKGPBPRRV-GFCCVEGCSA-N 0 3 360.389 2.705 20 5 FFBDHN COC(=O)c1ccc(CN[C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])nc1 ZINC001170318695 1003107900 /nfs/dbraw/zinc/10/79/00/1003107900.db2.gz RUKWZIOILUAASR-LBPRGKRZSA-N 0 3 359.382 2.506 20 5 FFBDHN COc1ccc(C[C@@H](C)NCc2cc(OC(C)C)ncn2)c([N+](=O)[O-])c1 ZINC001170324649 1003113071 /nfs/dbraw/zinc/11/30/71/1003113071.db2.gz RYNAQICXEHUWRA-CYBMUJFWSA-N 0 3 360.414 2.901 20 5 FFBDHN CCOC(=O)C1=C(Nc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CCNC1 ZINC001170516437 1004490854 /nfs/dbraw/zinc/49/08/54/1004490854.db2.gz CLQIMSKUXPBDBU-UHFFFAOYSA-N 0 3 359.304 2.836 20 5 FFBDHN CC[C@]1(C(=O)OC(C)(C)C)CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC001198310474 1004588679 /nfs/dbraw/zinc/58/86/79/1004588679.db2.gz QPXMPLACSPNXNL-SFHVURJKSA-N 0 3 366.462 2.934 20 5 FFBDHN CC[C@@H](C)N[C@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N)c1ccco1 ZINC000807680357 1004661084 /nfs/dbraw/zinc/66/10/84/1004661084.db2.gz PGRDYJGHLZSGFH-TZMCWYRMSA-N 0 3 360.414 2.938 20 5 FFBDHN COc1cc(C[NH2+]CCc2cccc(OC)c2OC)c([N+](=O)[O-])cc1[O-] ZINC001199413787 1004936238 /nfs/dbraw/zinc/93/62/38/1004936238.db2.gz QNTLLJBQXZJSPK-UHFFFAOYSA-N 0 3 362.382 2.659 20 5 FFBDHN COc1cc2c(cc1OC)CCN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000776577891 1005957160 /nfs/dbraw/zinc/95/71/60/1005957160.db2.gz ABPRVAFURNVOCY-SFHVURJKSA-N 0 3 372.421 2.746 20 5 FFBDHN O=C1NCCN1c1ccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000883287004 1006734740 /nfs/dbraw/zinc/73/47/40/1006734740.db2.gz IOXBLQWZUCALJW-KRWDZBQOSA-N 0 3 352.394 2.902 20 5 FFBDHN C[C@H]1[C@@H](OC(=O)CCn2cc([N+](=O)[O-])cn2)CCCN1Cc1ccccc1 ZINC000816468353 1007051647 /nfs/dbraw/zinc/05/16/47/1007051647.db2.gz FWSZBMFVKUVYBS-YJBOKZPZSA-N 0 3 372.425 2.778 20 5 FFBDHN CN1CC[C@@H](NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000823956530 1009277522 /nfs/dbraw/zinc/27/75/22/1009277522.db2.gz SKSUWUJSSLDTLM-NVXWUHKLSA-N 0 3 355.398 2.744 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001180310573 1009624962 /nfs/dbraw/zinc/62/49/62/1009624962.db2.gz LFIFIXNPHOIQJR-XBXGTLAGSA-N 0 3 365.430 2.996 20 5 FFBDHN O=C(NC[C@@H]1CCN1C1CCCC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000863035249 1010091931 /nfs/dbraw/zinc/09/19/31/1010091931.db2.gz UNUNJBKXXUSJEE-KRWDZBQOSA-N 0 3 372.469 2.942 20 5 FFBDHN CC(C)[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000794604645 1010437492 /nfs/dbraw/zinc/43/74/92/1010437492.db2.gz MPHUJTGABIMHET-MSOLQXFVSA-N 0 3 357.410 2.542 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCC(=O)NC2CCCCC2)c1F ZINC001173176420 1012320049 /nfs/dbraw/zinc/32/00/49/1012320049.db2.gz HAXLYGCENGPHFU-GFCCVEGCSA-N 0 3 367.421 2.712 20 5 FFBDHN CCOC(=O)C1(N[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CCN(CC)CC1 ZINC001173221354 1012352023 /nfs/dbraw/zinc/35/20/23/1012352023.db2.gz MLAHEJRGFZBTNY-HNNXBMFYSA-N 0 3 363.458 2.533 20 5 FFBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CCN(C(=O)c3ccco3)[C@@H]2C1 ZINC001173223266 1012354924 /nfs/dbraw/zinc/35/49/24/1012354924.db2.gz AMBURFQUUOITPN-UWWQBHOKSA-N 0 3 369.421 2.965 20 5 FFBDHN COc1cc(C)nc(O[C@H]2CCN([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001173237127 1012383783 /nfs/dbraw/zinc/38/37/83/1012383783.db2.gz IAZCJIVNXHLWAZ-PBHICJAKSA-N 0 3 372.425 2.786 20 5 FFBDHN CC([C@@H](OC(=O)Cc1cnn2c1CCCC2)c1ccccc1F)[N+](=O)[O-] ZINC000870455441 1012392284 /nfs/dbraw/zinc/39/22/84/1012392284.db2.gz ZVYZETFNXDSOMZ-KZULUSFZSA-N 0 3 361.373 2.851 20 5 FFBDHN Cn1nc(C(F)(F)F)cc1CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000926926539 1018294248 /nfs/dbraw/zinc/29/42/48/1018294248.db2.gz BGDPQBUNROJBIE-VXGBXAGGSA-N 0 3 372.351 2.817 20 5 FFBDHN Cn1nc(C(F)(F)F)cc1CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000926926536 1018295191 /nfs/dbraw/zinc/29/51/91/1018295191.db2.gz BGDPQBUNROJBIE-NWDGAFQWSA-N 0 3 372.351 2.817 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000930314219 1019975342 /nfs/dbraw/zinc/97/53/42/1019975342.db2.gz DEZUYMDPJFHIQE-HNNXBMFYSA-N 0 3 362.430 2.586 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000931495361 1020489820 /nfs/dbraw/zinc/48/98/20/1020489820.db2.gz JMBBWADDUAYGRP-INIZCTEOSA-N 0 3 362.430 2.532 20 5 FFBDHN O=[N+]([O-])c1cccc([C@@H](NCCN2CCCOCC2)c2ccccc2)c1 ZINC000903228529 1020751581 /nfs/dbraw/zinc/75/15/81/1020751581.db2.gz SAFKETSANBWJPC-FQEVSTJZSA-N 0 3 355.438 2.996 20 5 FFBDHN O=[N+]([O-])c1ccc(-n2cc(-c3nc([C@H]4CN5CCC4CC5)no3)cn2)cc1 ZINC001116612967 1021308550 /nfs/dbraw/zinc/30/85/50/1021308550.db2.gz WIBOCAIYUBPFDS-INIZCTEOSA-N 0 3 366.381 2.640 20 5 FFBDHN O=[N+]([O-])c1ccc2c(cnn2CN2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)c1 ZINC000840138463 1026978434 /nfs/dbraw/zinc/97/84/34/1026978434.db2.gz QZBFRXODMLJEFV-PBHICJAKSA-N 0 3 372.425 2.910 20 5 FFBDHN O=[N+]([O-])c1cnc(Cl)nc1NCC1CCN(Cc2ccccn2)CC1 ZINC001161241082 1028087688 /nfs/dbraw/zinc/08/76/88/1028087688.db2.gz RKYNDXCYMOASRG-UHFFFAOYSA-N 0 3 362.821 2.757 20 5 FFBDHN O=[N+]([O-])c1cccc2nc(-n3nc(C(F)(F)F)c4c3CCNC4)ccc21 ZINC001154849821 1028482624 /nfs/dbraw/zinc/48/26/24/1028482624.db2.gz VDJHTLRBESUTHO-UHFFFAOYSA-N 0 3 363.299 2.993 20 5 FFBDHN COC(=O)[C@H](Nc1cc2c(cc1[N+](=O)[O-])CNC2)c1ccc(OC)cc1 ZINC001164542020 1029313564 /nfs/dbraw/zinc/31/35/64/1029313564.db2.gz ZXTZPPIQYYQPBB-QGZVFWFLSA-N 0 3 357.366 2.533 20 5 FFBDHN O=[N+]([O-])c1cnc(N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001165083547 1029370450 /nfs/dbraw/zinc/37/04/50/1029370450.db2.gz GXWKUOUYSBUNLE-PBHICJAKSA-N 0 3 369.381 2.609 20 5 FFBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000782093168 1029566309 /nfs/dbraw/zinc/56/63/09/1029566309.db2.gz YUBOSNRILHYYJJ-HZPDHXFCSA-N 0 3 370.327 2.970 20 5 FFBDHN COc1ccc(CN[C@@H](COC(N)=O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000840961248 1029946134 /nfs/dbraw/zinc/94/61/34/1029946134.db2.gz TWRSOSXQFDQAFS-OAHLLOKOSA-N 0 3 359.382 2.814 20 5 FFBDHN CO[C@H](Cc1ccccc1)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001205115616 1031535541 /nfs/dbraw/zinc/53/55/41/1031535541.db2.gz OKYQUONWOAMJQW-HXUWFJFHSA-N 0 3 355.438 2.975 20 5 FFBDHN CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CCN1 ZINC000831593741 1034140721 /nfs/dbraw/zinc/14/07/21/1034140721.db2.gz OKDURWQYPHUKMV-QGZVFWFLSA-N 0 3 360.458 2.655 20 5 FFBDHN COC(=O)Cc1ccc(O[C@@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001226215511 1034575470 /nfs/dbraw/zinc/57/54/70/1034575470.db2.gz XRSGHOSTUWNUGI-QGZVFWFLSA-N 0 3 370.405 2.964 20 5 FFBDHN COc1cc(N2CCC(N3CC(N4CCCCC4)C3)CC2)ccc1[N+](=O)[O-] ZINC001256100969 1038384853 /nfs/dbraw/zinc/38/48/53/1038384853.db2.gz WQDGJZAQQSQPJQ-UHFFFAOYSA-N 0 3 374.485 2.742 20 5 FFBDHN CCN(C)c1ncnc2c1CCN([C@@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC001254563033 1040800598 /nfs/dbraw/zinc/80/05/98/1040800598.db2.gz WMJMUIWMIRPJHG-HNNXBMFYSA-N 0 3 369.469 2.873 20 5 FFBDHN Cc1cc(O[C@H]2CCCN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)ncn1 ZINC001254610334 1040839378 /nfs/dbraw/zinc/83/93/78/1040839378.db2.gz JQOQRMZIKMLXIF-ROUUACIJSA-N 0 3 354.410 2.704 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CN2C[C@H](CO)[C@H](CO)C2)o1 ZINC001262011947 1041510433 /nfs/dbraw/zinc/51/04/33/1041510433.db2.gz FONZCHFIKJTWKS-TXEJJXNPSA-N 0 3 366.801 2.541 20 5 FFBDHN Cc1cc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)cc([N+](=O)[O-])c1 ZINC001263983656 1042564730 /nfs/dbraw/zinc/56/47/30/1042564730.db2.gz XMWMJSZYMWNHPA-CHWSQXEVSA-N 0 3 362.304 2.826 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CNCCOCCCO)o1 ZINC001322444852 1046086398 /nfs/dbraw/zinc/08/63/98/1046086398.db2.gz HTWLOQXYCDZQLZ-UHFFFAOYSA-N 0 3 354.790 2.997 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)n1 ZINC001290115881 1047835282 /nfs/dbraw/zinc/83/52/82/1047835282.db2.gz HVAJEERKRXXSPG-GOSISDBHSA-N 0 3 354.410 2.865 20 5 FFBDHN CC(C)n1ncc2c1[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC001329139597 1048593431 /nfs/dbraw/zinc/59/34/31/1048593431.db2.gz AYJBHBLXOHHRFQ-CVEARBPZSA-N 0 3 374.441 2.779 20 5 FFBDHN C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC001344845485 1052056569 /nfs/dbraw/zinc/05/65/69/1052056569.db2.gz BRDAWFRTFDLBLL-HRCADAONSA-N 0 3 363.461 2.752 20 5 FFBDHN CN(CCNc1cc(F)c([N+](=O)[O-])cc1CO)Cc1ccc(F)cc1 ZINC001306989857 1052232619 /nfs/dbraw/zinc/23/26/19/1052232619.db2.gz PFYXWMGPQZITTL-UHFFFAOYSA-N 0 3 351.353 2.909 20 5 FFBDHN CCn1c([C@H](C)[N+](=O)[O-])nnc1N1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC001352452853 1055489328 /nfs/dbraw/zinc/48/93/28/1055489328.db2.gz LNRGNUHRTYRAJR-OAGGEKHMSA-N 0 3 372.473 2.735 20 5 FFBDHN O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001443475477 1058211663 /nfs/dbraw/zinc/21/16/63/1058211663.db2.gz DJVCYDRUIAEXIS-CYBMUJFWSA-N 0 3 367.833 2.621 20 5 FFBDHN C[C@H](c1nnc(N2C[C@H](C)N(Cc3ccccc3)[C@@H](C)[C@H]2C)n1C)[N+](=O)[O-] ZINC001519598448 1058867495 /nfs/dbraw/zinc/86/74/95/1058867495.db2.gz VZGUHLDTHGVPGK-CAOSSQGBSA-N 0 3 372.473 2.641 20 5 FFBDHN COc1ccc(OC)c([C@H](O)CN[C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000848522839 1060214108 /nfs/dbraw/zinc/21/41/08/1060214108.db2.gz YJAALBOFZSDHOU-FUHWJXTLSA-N 0 3 358.394 2.923 20 5 FFBDHN Cc1cc(S(=O)(=O)[N-]CCCCC[NH+]2CCCC2)c([N+](=O)[O-])s1 ZINC001463781923 1062259229 /nfs/dbraw/zinc/25/92/29/1062259229.db2.gz AVRXHCOKRLPUPV-UHFFFAOYSA-N 0 3 361.489 2.509 20 5 FFBDHN O=C(c1ccc([N+](=O)[O-])s1)N1C[C@H](C[C@H]2COCCN2)c2ccccc21 ZINC001523288239 1062424249 /nfs/dbraw/zinc/42/42/49/1062424249.db2.gz WYTNUFAHQMBKHF-STQMWFEESA-N 0 3 373.434 2.779 20 5 FFBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001467548692 1063777606 /nfs/dbraw/zinc/77/76/06/1063777606.db2.gz UNSJGDYHXKYREI-UONOGXRCSA-N 0 3 370.409 2.733 20 5 FFBDHN COC1CCN(CCNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])CC1 ZINC001472713502 1065132378 /nfs/dbraw/zinc/13/23/78/1065132378.db2.gz MBNMJBRLOURXQU-UHFFFAOYSA-N 0 3 364.833 2.741 20 5 FFBDHN C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001575969133 1078182753 /nfs/dbraw/zinc/18/27/53/1078182753.db2.gz IZGUHVWIDGVQFT-XQQFMLRXSA-N 0 3 359.434 2.553 20 5 FFBDHN C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001575969133 1078182756 /nfs/dbraw/zinc/18/27/56/1078182756.db2.gz IZGUHVWIDGVQFT-XQQFMLRXSA-N 0 3 359.434 2.553 20 5 FFBDHN C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001575969133 1078182762 /nfs/dbraw/zinc/18/27/62/1078182762.db2.gz IZGUHVWIDGVQFT-XQQFMLRXSA-N 0 3 359.434 2.553 20 5 FFBDHN C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001575969133 1078182765 /nfs/dbraw/zinc/18/27/65/1078182765.db2.gz IZGUHVWIDGVQFT-XQQFMLRXSA-N 0 3 359.434 2.553 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCCN1C ZINC001585855716 1079506083 /nfs/dbraw/zinc/50/60/83/1079506083.db2.gz MKUDNGPTQJKGIS-AAEUAGOBSA-N 0 3 355.822 2.616 20 5 FFBDHN Cc1c(C(=O)NCCN2CCC(C)(C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001586242939 1079583139 /nfs/dbraw/zinc/58/31/39/1079583139.db2.gz VZZFPHAQXVCUDA-UHFFFAOYSA-N 0 3 364.402 2.582 20 5 FFBDHN Cc1ccc(CN2CC[C@H](NC(=O)Cc3ccccc3[N+](=O)[O-])C2)cc1 ZINC001587795623 1079866281 /nfs/dbraw/zinc/86/62/81/1079866281.db2.gz FGKZMJAHMYIQIS-SFHVURJKSA-N 0 3 353.422 2.836 20 5 FFBDHN CC1([NH+]2CCCCC2)CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC001590142934 1081048365 /nfs/dbraw/zinc/04/83/65/1081048365.db2.gz UMQZAJYNMFBEKN-UHFFFAOYSA-N 0 3 371.445 2.620 20 5 FFBDHN C[C@H]1CCCC[N@@H+]1CCCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590258378 1081128063 /nfs/dbraw/zinc/12/80/63/1081128063.db2.gz CCPAXNADICHZQW-ZDUSSCGKSA-N 0 3 359.434 2.841 20 5 FFBDHN C[C@H]1CCCC[N@H+]1CCCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590258378 1081128068 /nfs/dbraw/zinc/12/80/68/1081128068.db2.gz CCPAXNADICHZQW-ZDUSSCGKSA-N 0 3 359.434 2.841 20 5 FFBDHN C[C@H]1CCCC[N@@H+]1CCCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590258378 1081128070 /nfs/dbraw/zinc/12/80/70/1081128070.db2.gz CCPAXNADICHZQW-ZDUSSCGKSA-N 0 3 359.434 2.841 20 5 FFBDHN C[C@H]1CCCC[N@H+]1CCCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590258378 1081128073 /nfs/dbraw/zinc/12/80/73/1081128073.db2.gz CCPAXNADICHZQW-ZDUSSCGKSA-N 0 3 359.434 2.841 20 5 FFBDHN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NC3CCN(C)CC3)cc2[N+](=O)[O-])C1 ZINC000031224308 249360471 /nfs/dbraw/zinc/36/04/71/249360471.db2.gz CVWIADLKRGMWBQ-GASCZTMLSA-N 0 3 374.485 2.901 20 5 FFBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000272425335 252035847 /nfs/dbraw/zinc/03/58/47/252035847.db2.gz CARKBRLVZRYJET-MLGOLLRUSA-N 0 3 366.849 2.874 20 5 FFBDHN C[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000272926883 252167159 /nfs/dbraw/zinc/16/71/59/252167159.db2.gz KSRFHBGAOMAEBW-LBPRGKRZSA-N 0 3 367.833 2.784 20 5 FFBDHN CS[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@@H]1N1CCCC1 ZINC000273458055 252310310 /nfs/dbraw/zinc/31/03/10/252310310.db2.gz DWOGRQIHSINWGD-IRXDYDNUSA-N 0 3 363.483 2.566 20 5 FFBDHN CC(C)CN1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000276340527 256091462 /nfs/dbraw/zinc/09/14/62/256091462.db2.gz SGKGHZYEOJULGB-AWEZNQCLSA-N 0 3 369.487 2.778 20 5 FFBDHN CCOc1cc(CN[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)ccc1[N+](=O)[O-] ZINC000276880964 256139283 /nfs/dbraw/zinc/13/92/83/256139283.db2.gz ISVKJHCZNPVPPR-KXBFYZLASA-N 0 3 374.441 2.964 20 5 FFBDHN CC1(C)C[C@H](NCC2(CS(C)(=O)=O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000279154237 256387533 /nfs/dbraw/zinc/38/75/33/256387533.db2.gz SYUOHFBGBVAMGV-HNNXBMFYSA-N 0 3 352.456 2.732 20 5 FFBDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1ncc(Br)cc1[N+](=O)[O-] ZINC000286403403 257035093 /nfs/dbraw/zinc/03/50/93/257035093.db2.gz PTOSQGLOOPKFLK-CMPLNLGQSA-N 0 3 355.236 2.815 20 5 FFBDHN O=c1[nH]c(N2CCN(C3CCCCC3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000286405315 257035527 /nfs/dbraw/zinc/03/55/27/257035527.db2.gz ZWYDWLAWGDESAD-UHFFFAOYSA-N 0 3 357.414 2.698 20 5 FFBDHN CN(C)C(=O)COc1ccccc1CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000289351227 257275982 /nfs/dbraw/zinc/27/59/82/257275982.db2.gz JDIZDRCUBYATJV-UHFFFAOYSA-N 0 3 371.437 2.736 20 5 FFBDHN COCCCN1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000289875001 257304033 /nfs/dbraw/zinc/30/40/33/257304033.db2.gz ZGRYQVNASUQLNE-UHFFFAOYSA-N 0 3 370.837 2.871 20 5 FFBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCCS(=O)(=O)C(C)C ZINC000290220662 257321073 /nfs/dbraw/zinc/32/10/73/257321073.db2.gz HZBPRLQYTUIGRH-CYBMUJFWSA-N 0 3 360.501 2.878 20 5 FFBDHN C[C@@H](NC[C@](C)(O)CNC(=O)OC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000289584932 257288762 /nfs/dbraw/zinc/28/87/62/257288762.db2.gz RQXLLEPPAKNVHI-PXAZEXFGSA-N 0 3 353.419 2.521 20 5 FFBDHN Cc1cnn([C@@H]2CCN(Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000290926141 257365369 /nfs/dbraw/zinc/36/53/69/257365369.db2.gz OMCGSBAWGAUJME-GOSISDBHSA-N 0 3 366.425 2.947 20 5 FFBDHN COc1cccc([C@@H](CNc2c([N+](=O)[O-])c(C)nn2C)N2CCCC2)c1 ZINC000301243685 258036076 /nfs/dbraw/zinc/03/60/76/258036076.db2.gz AMWIPTNFSFVPAF-MRXNPFEDSA-N 0 3 359.430 2.894 20 5 FFBDHN CNC(=O)c1ccc(N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000302163213 258092179 /nfs/dbraw/zinc/09/21/79/258092179.db2.gz IKQPPQZZDLMUAT-KBXCAEBGSA-N 0 3 368.437 2.887 20 5 FFBDHN CC[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CCN1Cc1ccccc1 ZINC000302175635 258092999 /nfs/dbraw/zinc/09/29/99/258092999.db2.gz WWODALCBFRPHMQ-MRXNPFEDSA-N 0 3 366.425 2.738 20 5 FFBDHN CN(C)[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1cccc(C(F)(F)F)c1 ZINC000302213478 258095918 /nfs/dbraw/zinc/09/59/18/258095918.db2.gz FSZRMFIMTBUIGF-LLVKDONJSA-N 0 3 370.335 2.701 20 5 FFBDHN C[C@H]1C[C@H](N(C)C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCN1C ZINC000330783049 258170529 /nfs/dbraw/zinc/17/05/29/258170529.db2.gz HRWUWZBYUGSXLM-CMPLNLGQSA-N 0 3 357.357 2.751 20 5 FFBDHN CS[C@H]1CN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C[C@@H]1N(C)C ZINC000331079779 258176883 /nfs/dbraw/zinc/17/68/83/258176883.db2.gz YKMPXSKXLUWNON-GJZGRUSLSA-N 0 3 352.460 2.721 20 5 FFBDHN CC(C)c1n[nH]c(C(=O)NCC(C)(C)N2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000331215235 258180075 /nfs/dbraw/zinc/18/00/75/258180075.db2.gz NXSVDUHZHZWMMB-LBPRGKRZSA-N 0 3 351.451 2.682 20 5 FFBDHN C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@@H](N(C)C)C3)cc2[N+](=O)[O-])C1 ZINC000332431003 258230343 /nfs/dbraw/zinc/23/03/43/258230343.db2.gz WSEFSLSJHUGMPS-GDBMZVCRSA-N 0 3 360.458 2.607 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000053372779 506366248 /nfs/dbraw/zinc/36/62/48/506366248.db2.gz MFIBORJCAGGIGF-GOSISDBHSA-N 0 3 354.410 2.865 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000377213102 512169055 /nfs/dbraw/zinc/16/90/55/512169055.db2.gz FVVXUWWWXODCHV-LJQANCHMSA-N 0 3 353.378 2.699 20 5 FFBDHN C[C@H]1CN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000415686468 513379254 /nfs/dbraw/zinc/37/92/54/513379254.db2.gz AJFBRCVUGSFEFM-IUCAKERBSA-N 0 3 357.208 2.571 20 5 FFBDHN CCOc1ccc(C(=O)NCc2ccc(CN(C)C)cc2)cc1[N+](=O)[O-] ZINC000006983799 506522277 /nfs/dbraw/zinc/52/22/77/506522277.db2.gz MOLTVVDLGUNJCE-UHFFFAOYSA-N 0 3 357.410 2.985 20 5 FFBDHN C[C@H]1CNCCN1c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000054375248 506545777 /nfs/dbraw/zinc/54/57/77/506545777.db2.gz PRVGTXAWQSIIJO-VIFPVBQESA-N 0 3 351.204 2.704 20 5 FFBDHN CCc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2C)N(C)C)cc1 ZINC000041904248 506566307 /nfs/dbraw/zinc/56/63/07/506566307.db2.gz VBHSEIFYEOWVLA-SFHVURJKSA-N 0 3 356.426 2.893 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN(CCC(C)(C)C)CC1 ZINC000055936300 506891534 /nfs/dbraw/zinc/89/15/34/506891534.db2.gz KIAIEMGBNKSQQJ-UHFFFAOYSA-N 0 3 362.474 2.896 20 5 FFBDHN CN(C)CCOc1ccc(CNC(=O)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000045622708 506993449 /nfs/dbraw/zinc/99/34/49/506993449.db2.gz QJTWZBSAXSSQOR-UHFFFAOYSA-N 0 3 372.425 2.535 20 5 FFBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCN1CCC(C)CC1 ZINC000068353225 507199390 /nfs/dbraw/zinc/19/93/90/507199390.db2.gz VHMNHHUTRVNLFI-CYBMUJFWSA-N 0 3 369.849 2.864 20 5 FFBDHN C[C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)N(C)C1CC1 ZINC000057705545 507311505 /nfs/dbraw/zinc/31/15/05/507311505.db2.gz UEUKNUVGWYBGAY-NSHDSACASA-N 0 3 360.439 2.931 20 5 FFBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NCC1CCN(c2ccncc2)CC1 ZINC000070928565 507663898 /nfs/dbraw/zinc/66/38/98/507663898.db2.gz IKEVWFDIZQPUPJ-UHFFFAOYSA-N 0 3 354.410 2.565 20 5 FFBDHN CCC[C@H](C)NC(=O)[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000051051068 507728431 /nfs/dbraw/zinc/72/84/31/507728431.db2.gz YRLXKXFDNLTPGN-JKSUJKDBSA-N 0 3 363.458 2.990 20 5 FFBDHN O=C(COc1ccccc1[N+](=O)[O-])N[C@H](CN1CCCC1)c1ccccc1 ZINC000029177284 507766261 /nfs/dbraw/zinc/76/62/61/507766261.db2.gz YBFMVOVXGBTCSM-QGZVFWFLSA-N 0 3 369.421 2.927 20 5 FFBDHN CCN1CCN(CCNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000090070503 507905926 /nfs/dbraw/zinc/90/59/26/507905926.db2.gz ZTBHQOFKKOIVJI-UHFFFAOYSA-N 0 3 355.442 2.706 20 5 FFBDHN CCN1CCC[C@H]1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079771254 507999973 /nfs/dbraw/zinc/99/99/73/507999973.db2.gz MMOIPWPUZUVUJQ-NSHDSACASA-N 0 3 356.220 2.571 20 5 FFBDHN COc1cc(N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000091478514 507988707 /nfs/dbraw/zinc/98/87/07/507988707.db2.gz CYMWFYKTGCVKBH-GASCZTMLSA-N 0 3 363.458 2.929 20 5 FFBDHN C[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000110355879 508022752 /nfs/dbraw/zinc/02/27/52/508022752.db2.gz XIDINPGXSRMMMQ-OAHLLOKOSA-N 0 3 357.410 2.610 20 5 FFBDHN C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)N(C)Cc1ccccc1 ZINC000110966084 508061272 /nfs/dbraw/zinc/06/12/72/508061272.db2.gz OGUHNGQPNYKDSS-GFCCVEGCSA-N 0 3 360.389 2.566 20 5 FFBDHN C[C@@H](Nc1ccc(C(=O)N(C)CCN(C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC000080390206 508070044 /nfs/dbraw/zinc/07/00/44/508070044.db2.gz KRLITKCDEOFUSF-CQSZACIVSA-N 0 3 371.441 2.797 20 5 FFBDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000081122693 508140302 /nfs/dbraw/zinc/14/03/02/508140302.db2.gz FTMSLEFOMZOKEP-GOSISDBHSA-N 0 3 353.422 2.870 20 5 FFBDHN CCc1nn(C)c(CC)c1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534953 508148175 /nfs/dbraw/zinc/14/81/75/508148175.db2.gz TUAPCIQZFUUDQX-CYBMUJFWSA-N 0 3 358.446 2.535 20 5 FFBDHN CC(C)(C)C(=O)NC[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000112699747 508210425 /nfs/dbraw/zinc/21/04/25/508210425.db2.gz ZMTREGAVZRIVTI-OAHLLOKOSA-N 0 3 363.458 2.848 20 5 FFBDHN CCN1CCN(C[C@@H](C)CNc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000076921944 508262902 /nfs/dbraw/zinc/26/29/02/508262902.db2.gz WRJYOSMSJKEPSN-HNNXBMFYSA-N 0 3 357.458 2.829 20 5 FFBDHN C[C@H]1CN(CCCCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@H](C)O1 ZINC000085456941 508309692 /nfs/dbraw/zinc/30/96/92/508309692.db2.gz AHAJRVYAZGPOCG-KBPBESRZSA-N 0 3 374.441 2.695 20 5 FFBDHN COc1ccc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000114645319 508333531 /nfs/dbraw/zinc/33/35/31/508333531.db2.gz VHZUZFXXGXXVBO-QGZVFWFLSA-N 0 3 369.421 2.998 20 5 FFBDHN CC[C@@H]1CCCCN1CCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000087104108 508336980 /nfs/dbraw/zinc/33/69/80/508336980.db2.gz JWFJXADCQKQFEM-QGZVFWFLSA-N 0 3 360.458 2.927 20 5 FFBDHN Cc1nn(C)c(C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000116063621 508468368 /nfs/dbraw/zinc/46/83/68/508468368.db2.gz KPNFAQZYJUGRTN-AWEZNQCLSA-N 0 3 371.441 2.592 20 5 FFBDHN CCN1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000122039789 508471106 /nfs/dbraw/zinc/47/11/06/508471106.db2.gz JCFCNHHAKNKPLN-GFCCVEGCSA-N 0 3 370.247 2.962 20 5 FFBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@](C)(O)c1cccs1 ZINC000156941350 508500892 /nfs/dbraw/zinc/50/08/92/508500892.db2.gz SVKUUGSFLKRJLM-SJCJKPOMSA-N 0 3 363.439 2.871 20 5 FFBDHN CCN1CCC[C@@H]1CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116718074 508550691 /nfs/dbraw/zinc/55/06/91/508550691.db2.gz SQCOIQMAZGQZAK-CYBMUJFWSA-N 0 3 355.822 2.618 20 5 FFBDHN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC1CCN(C2CC2)CC1 ZINC000116719897 508551526 /nfs/dbraw/zinc/55/15/26/508551526.db2.gz HFMWGAJXFCLYCZ-UHFFFAOYSA-N 0 3 367.833 2.760 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H]1CCCc2c1cnn2C ZINC000135651960 508637479 /nfs/dbraw/zinc/63/74/79/508637479.db2.gz LVWCPBBCODDADC-KRWDZBQOSA-N 0 3 371.441 2.975 20 5 FFBDHN Cn1cc([C@@H](O)C[C@@H]2CCCN2CCCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000371454784 512412300 /nfs/dbraw/zinc/41/23/00/512412300.db2.gz BDYRCVCGEJAXLU-HKUYNNGSSA-N 0 3 374.441 2.685 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000119833518 508873109 /nfs/dbraw/zinc/87/31/09/508873109.db2.gz HUBOQGXXFKTORG-KSSFIOAISA-N 0 3 369.421 2.854 20 5 FFBDHN COc1ccc([C@@H]2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)cc1 ZINC000155264309 508961316 /nfs/dbraw/zinc/96/13/16/508961316.db2.gz QBFKPTDPSLBJGI-OAHLLOKOSA-N 0 3 355.394 2.692 20 5 FFBDHN CN(C)CCN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1CCCC1 ZINC000160496420 508994798 /nfs/dbraw/zinc/99/47/98/508994798.db2.gz LSFMIACYNMCYEO-UHFFFAOYSA-N 0 3 371.441 2.727 20 5 FFBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000120554890 509019859 /nfs/dbraw/zinc/01/98/59/509019859.db2.gz ZHGBDTOATHXULD-JSGCOSHPSA-N 0 3 369.849 2.816 20 5 FFBDHN CCN(CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1ccccn1 ZINC000161087731 509069328 /nfs/dbraw/zinc/06/93/28/509069328.db2.gz GLWKFRHTRLFHAT-UHFFFAOYSA-N 0 3 358.398 2.849 20 5 FFBDHN CN1CC[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000247915500 509190667 /nfs/dbraw/zinc/19/06/67/509190667.db2.gz AXLFVZDXEIDHHF-DNVCBOLYSA-N 0 3 355.394 2.535 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)NCc2ccc3c(c2)CNC3)cc1SC ZINC000188712785 509226691 /nfs/dbraw/zinc/22/66/91/509226691.db2.gz ULHDEEMQDGSJPI-UHFFFAOYSA-N 0 3 373.434 2.859 20 5 FFBDHN COc1ccc(NC(=O)CN[C@H](C)[C@@H]2COc3ccccc32)c([N+](=O)[O-])c1 ZINC000185550156 509233180 /nfs/dbraw/zinc/23/31/80/509233180.db2.gz GNKOUZROTUGCLZ-DOMZBBRYSA-N 0 3 371.393 2.696 20 5 FFBDHN COc1cccc(CN(CCN(C)C)C(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000191949320 509259308 /nfs/dbraw/zinc/25/93/08/509259308.db2.gz UFCQIMGAFRGHMN-UHFFFAOYSA-N 0 3 363.439 2.869 20 5 FFBDHN C[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1COc2ccccc21 ZINC000185645653 509283355 /nfs/dbraw/zinc/28/33/55/509283355.db2.gz OHTRSWFZYHAMER-DYVFJYSZSA-N 0 3 355.394 2.712 20 5 FFBDHN COCCCN1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000162830784 509309770 /nfs/dbraw/zinc/30/97/70/509309770.db2.gz ZZOWDNGYANWXEV-UHFFFAOYSA-N 0 3 350.419 2.526 20 5 FFBDHN C[C@H]1CN(CCCCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000176684749 509640077 /nfs/dbraw/zinc/64/00/77/509640077.db2.gz FWHNOCFGKZLXJD-STQMWFEESA-N 0 3 369.849 2.867 20 5 FFBDHN CC[C@@]1(CO)CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000189657234 509686693 /nfs/dbraw/zinc/68/66/93/509686693.db2.gz YLRWNSPIBADPKX-QGZVFWFLSA-N 0 3 353.394 2.547 20 5 FFBDHN O=[N+]([O-])c1cnc2ccc(NC[C@@H]3CCN(Cc4ccccc4)C3)nn21 ZINC000192958035 509714901 /nfs/dbraw/zinc/71/49/01/509714901.db2.gz XZJGJGLNSAZHLZ-HNNXBMFYSA-N 0 3 352.398 2.572 20 5 FFBDHN CN(C)C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000268194004 509806540 /nfs/dbraw/zinc/80/65/40/509806540.db2.gz SNAALKPWKBDBJE-NSHDSACASA-N 0 3 356.220 2.524 20 5 FFBDHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)N2C(C)C ZINC000173849276 509813742 /nfs/dbraw/zinc/81/37/42/509813742.db2.gz VAKIREUOVBJOSQ-CABCVRRESA-N 0 3 367.471 2.539 20 5 FFBDHN O=C(NC[C@H]1CCCN1Cc1ccccc1)Nc1ccncc1[N+](=O)[O-] ZINC000183568049 509864860 /nfs/dbraw/zinc/86/48/60/509864860.db2.gz IFQYUPKPIDASPE-OAHLLOKOSA-N 0 3 355.398 2.776 20 5 FFBDHN O=C(NCCCN1CCc2ccccc2C1)Nc1ccncc1[N+](=O)[O-] ZINC000183626855 509892388 /nfs/dbraw/zinc/89/23/88/509892388.db2.gz YGLYSODPAITNSY-UHFFFAOYSA-N 0 3 355.398 2.560 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](c2cc[nH]n2)C1 ZINC000193585133 509978601 /nfs/dbraw/zinc/97/86/01/509978601.db2.gz YHIYOSQAJDWGFP-AWEZNQCLSA-N 0 3 357.414 2.835 20 5 FFBDHN CCOc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000261778676 510060584 /nfs/dbraw/zinc/06/05/84/510060584.db2.gz PJPMQULJNCKOAO-JKSUJKDBSA-N 0 3 355.394 2.560 20 5 FFBDHN O=C(CN1CCNC[C@@H]1c1ccccc1Cl)Nc1ccccc1[N+](=O)[O-] ZINC000262309308 510239904 /nfs/dbraw/zinc/23/99/04/510239904.db2.gz YRQSXVZQLCHVLU-QGZVFWFLSA-N 0 3 374.828 2.833 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCCN2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000171618997 510254996 /nfs/dbraw/zinc/25/49/96/510254996.db2.gz ZOJKIJLUEKZGNC-HNNXBMFYSA-N 0 3 371.441 2.781 20 5 FFBDHN COc1ccc([C@H]2CCCCCN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000174709255 510264255 /nfs/dbraw/zinc/26/42/55/510264255.db2.gz VNMKFJPFVAOCNP-PKOBYXMFSA-N 0 3 374.441 2.778 20 5 FFBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000177809750 510265494 /nfs/dbraw/zinc/26/54/94/510265494.db2.gz HGVOSJTWWWPJSH-KGLIPLIRSA-N 0 3 362.386 2.510 20 5 FFBDHN CN(Cc1cc(Cl)cc(Cl)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174738141 510283070 /nfs/dbraw/zinc/28/30/70/510283070.db2.gz KOUBFQZGGRINIC-AWEZNQCLSA-N 0 3 359.213 2.591 20 5 FFBDHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184462412 510336703 /nfs/dbraw/zinc/33/67/03/510336703.db2.gz PIRJCYSGQFUUQN-INIZCTEOSA-N 0 3 368.437 2.771 20 5 FFBDHN C[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(N2CCOC2=O)c1 ZINC000181314210 510351900 /nfs/dbraw/zinc/35/19/00/510351900.db2.gz OWVGSMNLARDUMC-ACJLOTCBSA-N 0 3 371.393 2.936 20 5 FFBDHN CC(C)c1n[n-]c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000269355080 510357681 /nfs/dbraw/zinc/35/76/81/510357681.db2.gz TZBXAVJSAFLDKN-LBPRGKRZSA-N 0 3 361.402 2.601 20 5 FFBDHN COc1cc(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)c([N+](=O)[O-])cc1[O-] ZINC000269357639 510359773 /nfs/dbraw/zinc/35/97/73/510359773.db2.gz UQQJQXLGMVBVIP-CYBMUJFWSA-N 0 3 368.455 2.843 20 5 FFBDHN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@H](N2CCCC2)C1 ZINC000181416666 510399013 /nfs/dbraw/zinc/39/90/13/510399013.db2.gz PAQKBLNUFKGVGZ-LBPRGKRZSA-N 0 3 355.341 2.507 20 5 FFBDHN C[C@@H](c1ccccc1)N1CCC(NC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000184640463 510435678 /nfs/dbraw/zinc/43/56/78/510435678.db2.gz RWPPKKCYGYRHCA-ZDUSSCGKSA-N 0 3 369.425 2.527 20 5 FFBDHN CN(C)CCN(CCCc1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000178180195 510474231 /nfs/dbraw/zinc/47/42/31/510474231.db2.gz UIJUPOORLBGWLD-UHFFFAOYSA-N 0 3 370.453 2.814 20 5 FFBDHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000266298925 510504646 /nfs/dbraw/zinc/50/46/46/510504646.db2.gz KNZKPXSRJATNRI-CMPLNLGQSA-N 0 3 357.332 2.922 20 5 FFBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000188266439 510677629 /nfs/dbraw/zinc/67/76/29/510677629.db2.gz RDJDLARWPNIEGW-UHFFFAOYSA-N 0 3 369.487 2.708 20 5 FFBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246985654 510782771 /nfs/dbraw/zinc/78/27/71/510782771.db2.gz WCDXYMFMJJEDRK-VKJFTORMSA-N 0 3 372.469 2.871 20 5 FFBDHN CC(C)(C)OC(=O)[C@@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000178832899 510795173 /nfs/dbraw/zinc/79/51/73/510795173.db2.gz BSMDQMCSAXJCDL-CYBMUJFWSA-N 0 3 363.414 2.587 20 5 FFBDHN COc1cc(C(=O)NCc2cccc(CN(C)C)c2)cc([N+](=O)[O-])c1C ZINC000191717941 510800427 /nfs/dbraw/zinc/80/04/27/510800427.db2.gz KOAPQGKBWJIXAD-UHFFFAOYSA-N 0 3 357.410 2.903 20 5 FFBDHN CCn1cc([N+](=O)[O-])c(C(=O)NC2CCN(Cc3ccccc3C)CC2)n1 ZINC000191775560 510825448 /nfs/dbraw/zinc/82/54/48/510825448.db2.gz AHNDSXJIBMLHKK-UHFFFAOYSA-N 0 3 371.441 2.514 20 5 FFBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000247556955 510865561 /nfs/dbraw/zinc/86/55/61/510865561.db2.gz ZHGBDTOATHXULD-GXTWGEPZSA-N 0 3 369.849 2.816 20 5 FFBDHN O=[N+]([O-])c1ccn(CCN[C@H](CCO)c2ccc(Cl)c(Cl)c2)n1 ZINC000285390184 510888841 /nfs/dbraw/zinc/88/88/41/510888841.db2.gz BWMRGVUWYIRXOV-CYBMUJFWSA-N 0 3 359.213 2.811 20 5 FFBDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285469979 510919101 /nfs/dbraw/zinc/91/91/01/510919101.db2.gz ZILLRMUMKWWCES-LBPRGKRZSA-N 0 3 355.385 2.558 20 5 FFBDHN CC(=O)N1CCC[C@H](CNCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000279911578 511263653 /nfs/dbraw/zinc/26/36/53/511263653.db2.gz WUPBYWJTMNEVGV-GFCCVEGCSA-N 0 3 357.357 2.544 20 5 FFBDHN Cc1c(NC(=O)CCN[C@@H](CCO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000271795071 511326809 /nfs/dbraw/zinc/32/68/09/511326809.db2.gz RGHXKSRFQMMKHQ-KRWDZBQOSA-N 0 3 357.410 2.945 20 5 FFBDHN COc1cccc(COC[C@H](O)CN[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000271813121 511334115 /nfs/dbraw/zinc/33/41/15/511334115.db2.gz YQSNUYSNSPDLCR-GDBMZVCRSA-N 0 3 360.410 2.832 20 5 FFBDHN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000283633467 511442853 /nfs/dbraw/zinc/44/28/53/511442853.db2.gz BSZYJOJHRNSXHY-QGZVFWFLSA-N 0 3 370.457 2.938 20 5 FFBDHN C[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000295697532 511487289 /nfs/dbraw/zinc/48/72/89/511487289.db2.gz IXJHZUKYRZDBJP-SNVBAGLBSA-N 0 3 357.332 2.994 20 5 FFBDHN CS[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000284206027 511641135 /nfs/dbraw/zinc/64/11/35/511641135.db2.gz SRNMCESMTRYXOK-HOTGVXAUSA-N 0 3 366.443 2.515 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000365819333 511667593 /nfs/dbraw/zinc/66/75/93/511667593.db2.gz IYRNHUQHDGZBQZ-AWEZNQCLSA-N 0 3 362.430 2.620 20 5 FFBDHN COc1ccc(CN2CCC(CCN3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000363667455 511693816 /nfs/dbraw/zinc/69/38/16/511693816.db2.gz VYQRGTYGTCVYPB-UHFFFAOYSA-N 0 3 363.458 2.538 20 5 FFBDHN CN1CCC[C@]2(CCN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)C2)C1 ZINC000292892551 511761226 /nfs/dbraw/zinc/76/12/26/511761226.db2.gz VYZSUUSPDVQCKM-FQEVSTJZSA-N 0 3 372.469 2.753 20 5 FFBDHN O=C(c1ccc([N+](=O)[O-])o1)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000365999258 511776945 /nfs/dbraw/zinc/77/69/45/511776945.db2.gz YKJZLMUWTGVRJD-CVEARBPZSA-N 0 3 355.394 2.782 20 5 FFBDHN CN1CC[C@]2(CCN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000293094079 511837891 /nfs/dbraw/zinc/83/78/91/511837891.db2.gz TUNDGJSFLXEOEG-IBGZPJMESA-N 0 3 360.458 2.655 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCN(C(C)C)C2)cc1SC ZINC000274525139 511863526 /nfs/dbraw/zinc/86/35/26/511863526.db2.gz SSYLZSYKZVWBPL-LBPRGKRZSA-N 0 3 367.471 2.928 20 5 FFBDHN Cc1cc(N2CCC[C@H](N[C@@H](C)c3ccc(N)c([N+](=O)[O-])c3)C2)n(C)n1 ZINC000284926113 511931092 /nfs/dbraw/zinc/93/10/92/511931092.db2.gz DHNYFQAZJXGZNU-ZFWWWQNUSA-N 0 3 358.446 2.539 20 5 FFBDHN O=C(CCN1CCC(c2c[nH]cn2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000364236140 512036060 /nfs/dbraw/zinc/03/60/60/512036060.db2.gz URYOOGWTZFETKO-UHFFFAOYSA-N 0 3 361.377 2.665 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(CC(=O)Nc2cccc(CN(C)C)c2)c1F ZINC000411385237 512609952 /nfs/dbraw/zinc/60/99/52/512609952.db2.gz JHJIEELTUFCTKB-UHFFFAOYSA-N 0 3 361.373 2.985 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCSC[C@@H]1C1CC1 ZINC000411782862 512809306 /nfs/dbraw/zinc/80/93/06/512809306.db2.gz FHBALWBYHGXTDX-OAHLLOKOSA-N 0 3 365.455 2.759 20 5 FFBDHN COc1ccc(C2CCN(CCn3cc([N+](=O)[O-])ccc3=O)CC2)cc1 ZINC000372346989 512827441 /nfs/dbraw/zinc/82/74/41/512827441.db2.gz QGJCEIIATWTJBK-UHFFFAOYSA-N 0 3 357.410 2.645 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCSC3(CCC3)CC2)c1 ZINC000411855034 512846091 /nfs/dbraw/zinc/84/60/91/512846091.db2.gz JUCJKCAMAYSEQG-HNNXBMFYSA-N 0 3 352.456 2.696 20 5 FFBDHN COc1ccc(OCCN[C@@H]2Cc3ccccc3[C@@H]2OC)c([N+](=O)[O-])c1 ZINC000411891790 512863006 /nfs/dbraw/zinc/86/30/06/512863006.db2.gz KJBGJWBOIPVMCN-APWZRJJASA-N 0 3 358.394 2.884 20 5 FFBDHN CCOc1ccc(NC(=O)CN[C@H](C)[C@@](C)(OC)C2CC2)c([N+](=O)[O-])c1 ZINC000411973078 512896997 /nfs/dbraw/zinc/89/69/97/512896997.db2.gz RBDDDPYTEZGPGE-KZULUSFZSA-N 0 3 365.430 2.725 20 5 FFBDHN NC(=O)[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1c1ccccc1 ZINC000411973736 512898022 /nfs/dbraw/zinc/89/80/22/512898022.db2.gz SFMJTHADNZQJSU-JKSUJKDBSA-N 0 3 359.813 2.949 20 5 FFBDHN CCOc1cc(CN2CC[C@@](C(N)=O)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000411975217 512898960 /nfs/dbraw/zinc/89/89/60/512898960.db2.gz ZVWYFRBRQJORBP-FQEVSTJZSA-N 0 3 369.421 2.623 20 5 FFBDHN CC(C)Oc1cc(C(=O)NC[C@]2(N(C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000412157516 512981010 /nfs/dbraw/zinc/98/10/10/512981010.db2.gz FRFCOJDHFMLJBA-QGZVFWFLSA-N 0 3 367.471 2.549 20 5 FFBDHN O=C(c1cc(Cl)c[nH]1)N1CCC(NCc2ccccc2[N+](=O)[O-])CC1 ZINC000370579736 513002531 /nfs/dbraw/zinc/00/25/31/513002531.db2.gz NDKOLZSDIQDYJR-UHFFFAOYSA-N 0 3 362.817 2.971 20 5 FFBDHN C[C@H]1CCCN(c2ccc(C(=O)N3C[C@@H]4CCN(C)[C@@H]4C3)cc2[N+](=O)[O-])C1 ZINC000408461377 513070436 /nfs/dbraw/zinc/07/04/36/513070436.db2.gz AEHREJFHPHIYNI-URLQWDBASA-N 0 3 372.469 2.607 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H](c2ccccc2)[C@H]2CCOC2)c1 ZINC000374983164 513096838 /nfs/dbraw/zinc/09/68/38/513096838.db2.gz CEVVSUGWECPMJR-ILZDJORESA-N 0 3 372.421 2.702 20 5 FFBDHN Cc1c(CC(=O)N2C[C@H](CN(C)C)Oc3ccccc32)cccc1[N+](=O)[O-] ZINC000370816022 513109458 /nfs/dbraw/zinc/10/94/58/513109458.db2.gz HAWZIMDSWCGLAV-INIZCTEOSA-N 0 3 369.421 2.802 20 5 FFBDHN CC(C)c1n[nH]c(C(=O)NC[C@H](C(C)C)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000433826961 513161251 /nfs/dbraw/zinc/16/12/51/513161251.db2.gz UPBATGFHYLQKBN-CQSZACIVSA-N 0 3 365.478 2.928 20 5 FFBDHN COC(=O)[C@]1(c2ccccc2)CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000428773785 513187206 /nfs/dbraw/zinc/18/72/06/513187206.db2.gz RWPSTUDKABUTLM-HXUWFJFHSA-N 0 3 370.405 2.790 20 5 FFBDHN COC(=O)[C@@]1(c2ccccc2)CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000428793990 513193970 /nfs/dbraw/zinc/19/39/70/513193970.db2.gz MBYOZFIZVIKJTK-FQEVSTJZSA-N 0 3 370.405 2.920 20 5 FFBDHN CO[C@H](Cc1ccccc1)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450561483 513251570 /nfs/dbraw/zinc/25/15/70/513251570.db2.gz FWHODNXLEFAXHT-FUHWJXTLSA-N 0 3 356.426 2.734 20 5 FFBDHN COCCCN(C(=O)c1cc([N+](=O)[O-])c(C)cc1C)C1CCN(C)CC1 ZINC000421537654 513299790 /nfs/dbraw/zinc/29/97/90/513299790.db2.gz BCYDYPCMFGOQIL-UHFFFAOYSA-N 0 3 363.458 2.785 20 5 FFBDHN O=C(NC[C@@H]1CCCCN1C1CC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000434419754 513319002 /nfs/dbraw/zinc/31/90/02/513319002.db2.gz BJIRCDDVNLOVKX-INIZCTEOSA-N 0 3 369.425 2.527 20 5 FFBDHN CCc1nn(C)c(N2CCN(Cc3ccccc3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000450810651 513350546 /nfs/dbraw/zinc/35/05/46/513350546.db2.gz MTAMIPYWULCHSA-OAHLLOKOSA-N 0 3 357.458 2.849 20 5 FFBDHN Cc1c(CNC(=O)NC[C@H]2NCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000418056295 513356488 /nfs/dbraw/zinc/35/64/88/513356488.db2.gz CKGRZRZOABTNLX-QGZVFWFLSA-N 0 3 354.410 2.589 20 5 FFBDHN CCc1nn(C)c(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000425280435 513490342 /nfs/dbraw/zinc/49/03/42/513490342.db2.gz XTNVPGOEVHFGDG-DOTOQJQBSA-N 0 3 355.442 2.601 20 5 FFBDHN NC(=O)c1cc([N+](=O)[O-])cnc1S[C@H]1CCCN(Cc2ccccc2)C1 ZINC000425285111 513490972 /nfs/dbraw/zinc/49/09/72/513490972.db2.gz SAYUJTPBZIACGS-HNNXBMFYSA-N 0 3 372.450 2.845 20 5 FFBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2ccc3c(c2)OCCO3)n1 ZINC000447513654 513494144 /nfs/dbraw/zinc/49/41/44/513494144.db2.gz YACGPVDGFLJCRK-GJZGRUSLSA-N 0 3 358.398 2.836 20 5 FFBDHN O=C(CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)Nc1ccc(F)cc1 ZINC000447540495 513502583 /nfs/dbraw/zinc/50/25/83/513502583.db2.gz JVMKUBMVQZHBCN-LSDHHAIUSA-N 0 3 361.377 2.642 20 5 FFBDHN COc1ccc(OCCN2CCC[C@@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000441186289 513508182 /nfs/dbraw/zinc/50/81/82/513508182.db2.gz WNDSXDZADQZSLF-CABCVRRESA-N 0 3 350.415 2.731 20 5 FFBDHN CCOC(=O)c1ccnc(NC[C@@H]2N(C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000447812385 513578144 /nfs/dbraw/zinc/57/81/44/513578144.db2.gz LMJSAHGLZVBCFB-ZDUSSCGKSA-N 0 3 350.419 2.699 20 5 FFBDHN Cc1cc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])n(C2CCN(C)CC2)n1 ZINC000430468393 513661180 /nfs/dbraw/zinc/66/11/80/513661180.db2.gz FSSGNCUUQASTGH-UHFFFAOYSA-N 0 3 357.414 2.927 20 5 FFBDHN Cc1cc(OCC(=O)NC[C@@H](C)N(C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000430537039 513678648 /nfs/dbraw/zinc/67/86/48/513678648.db2.gz KDCWSOJKGAZDRL-MRXNPFEDSA-N 0 3 371.437 2.919 20 5 FFBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451349118 513694163 /nfs/dbraw/zinc/69/41/63/513694163.db2.gz WOZOJSTWEUACDM-PILAGYSTSA-N 0 3 361.442 2.937 20 5 FFBDHN CC(C)Oc1cc(C(=O)N2CCC[C@H]3CN(C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000413620310 513739437 /nfs/dbraw/zinc/73/94/37/513739437.db2.gz AASQFCLTQGYJIX-JKSUJKDBSA-N 0 3 361.442 2.938 20 5 FFBDHN CO[C@@]1(C)C[C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000451482194 513778103 /nfs/dbraw/zinc/77/81/03/513778103.db2.gz CJSYFASDFFNSJB-CJNGLKHVSA-N 0 3 355.822 2.980 20 5 FFBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416468281 513788319 /nfs/dbraw/zinc/78/83/19/513788319.db2.gz FGTOXAPNFWAPPE-UHFFFAOYSA-N 0 3 369.487 2.708 20 5 FFBDHN CC(C)O[C@@H]1C[C@H](NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC000451503519 513794990 /nfs/dbraw/zinc/79/49/90/513794990.db2.gz QRIFDPGOFGGTJK-DLBZAZTESA-N 0 3 361.442 2.666 20 5 FFBDHN C[C@@H]1CN(CCCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCCO1 ZINC000436376324 513841104 /nfs/dbraw/zinc/84/11/04/513841104.db2.gz HHQQNZCJGLIBHY-LLVKDONJSA-N 0 3 362.352 2.921 20 5 FFBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CCCC[C@H]1C ZINC000448699168 513852363 /nfs/dbraw/zinc/85/23/63/513852363.db2.gz SMHIYWVZXWZRMW-CABCVRRESA-N 0 3 371.441 2.773 20 5 FFBDHN CCCN1CCC(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000448846133 513928420 /nfs/dbraw/zinc/92/84/20/513928420.db2.gz RZKSHXLGUJBBFH-UHFFFAOYSA-N 0 3 361.442 2.796 20 5 FFBDHN CO[C@@H]([C@H](C)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000414181294 514000871 /nfs/dbraw/zinc/00/08/71/514000871.db2.gz LYDIPUINLURQIN-WMFXKJRFSA-N 0 3 355.822 2.978 20 5 FFBDHN CN(C)C[C@H]1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444032159 514104602 /nfs/dbraw/zinc/10/46/02/514104602.db2.gz BXMMAWOULKJOFW-CYBMUJFWSA-N 0 3 367.424 2.844 20 5 FFBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1cc(S(C)(=O)=O)ccc1F ZINC000449305955 514157003 /nfs/dbraw/zinc/15/70/03/514157003.db2.gz IXMXZENPBKFAIB-LBPRGKRZSA-N 0 3 366.414 2.858 20 5 FFBDHN COC(=O)[C@@H]1CN(Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1c1ccc(O)cc1 ZINC000449351213 514177801 /nfs/dbraw/zinc/17/78/01/514177801.db2.gz ZRCVKIRAPDIYSJ-ZWKOTPCHSA-N 0 3 370.405 2.997 20 5 FFBDHN C[C@@H](NC(=O)NC[C@H]1NCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000417128376 514182114 /nfs/dbraw/zinc/18/21/14/514182114.db2.gz IHJDRMUGQQXUPT-FZKQIMNGSA-N 0 3 354.410 2.842 20 5 FFBDHN COc1cc(C(=O)Nc2ccc3c(c2F)CCNC3)cc([N+](=O)[O-])c1C ZINC000423625379 514186652 /nfs/dbraw/zinc/18/66/52/514186652.db2.gz CYMXGHZPCRNMIC-UHFFFAOYSA-N 0 3 359.357 2.949 20 5 FFBDHN COC(=O)COc1ccc(CNCC(C)(C)c2ccccn2)cc1[N+](=O)[O-] ZINC000449392718 514193631 /nfs/dbraw/zinc/19/36/31/514193631.db2.gz KNTPJMJFQQJNDA-UHFFFAOYSA-N 0 3 373.409 2.609 20 5 FFBDHN CC(C)N1CC[C@H](N(C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000452112073 514199768 /nfs/dbraw/zinc/19/97/68/514199768.db2.gz FAURMWXSDMZMBH-ZDUSSCGKSA-N 0 3 354.838 2.601 20 5 FFBDHN CC[C@H](NCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-])[C@@H](C)O ZINC000449537619 514247423 /nfs/dbraw/zinc/24/74/23/514247423.db2.gz GFNHBMDQTIBPAX-KOLCDFICSA-N 0 3 366.336 2.794 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H]1CCCCS1(=O)=O)CCCC2 ZINC000417343122 514303653 /nfs/dbraw/zinc/30/36/53/514303653.db2.gz NXLPUVRKWWLWJK-DOTOQJQBSA-N 0 3 352.456 2.919 20 5 FFBDHN C[C@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)N1CCCC[C@@H]1C ZINC000445487284 514486210 /nfs/dbraw/zinc/48/62/10/514486210.db2.gz FAHIPHXKPPWZOB-LSDHHAIUSA-N 0 3 360.458 2.925 20 5 FFBDHN Cn1ccnc1C(=O)c1ccc(NCC23CCCN2CCC3)c([N+](=O)[O-])c1 ZINC000439122915 514497564 /nfs/dbraw/zinc/49/75/64/514497564.db2.gz ZWOJNVZANXMSLR-UHFFFAOYSA-N 0 3 369.425 2.600 20 5 FFBDHN NC(=O)c1cccc(NC2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000439127256 514497837 /nfs/dbraw/zinc/49/78/37/514497837.db2.gz IXYFCPQCIIBMRG-UHFFFAOYSA-N 0 3 354.410 2.770 20 5 FFBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H](C)C(=O)NCCc1ccccc1 ZINC000453414130 514625208 /nfs/dbraw/zinc/62/52/08/514625208.db2.gz SPTHGZHYIJZDRX-HZPDHXFCSA-N 0 3 355.438 2.863 20 5 FFBDHN COc1cc(CNC[C@@H](CO)CC2CCCC2)c([N+](=O)[O-])cc1OC ZINC000466419756 514643500 /nfs/dbraw/zinc/64/35/00/514643500.db2.gz QNHLFJNEHUSMGF-AWEZNQCLSA-N 0 3 352.431 2.890 20 5 FFBDHN CC[C@H](C)N1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC)CC1 ZINC000453457361 514651848 /nfs/dbraw/zinc/65/18/48/514651848.db2.gz ALKBJAPZFAYHLB-AWEZNQCLSA-N 0 3 358.446 2.794 20 5 FFBDHN CN(C)CC1(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCC1 ZINC000466579996 514699424 /nfs/dbraw/zinc/69/94/24/514699424.db2.gz BJNKWLKBVMMARI-UHFFFAOYSA-N 0 3 356.220 2.571 20 5 FFBDHN CCC1(CC)[C@H](N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1OC ZINC000479892748 514764087 /nfs/dbraw/zinc/76/40/87/514764087.db2.gz VFBYXVOEUGXDLD-GVDBMIGSSA-N 0 3 361.442 2.883 20 5 FFBDHN O=C(CCN1CCc2ccccc2C1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000471387363 514861274 /nfs/dbraw/zinc/86/12/74/514861274.db2.gz DKMHNVUXBWFSKX-UHFFFAOYSA-N 0 3 353.422 2.702 20 5 FFBDHN COc1ccc(CN[C@H](C)CC(N)=O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000498375942 514889565 /nfs/dbraw/zinc/88/95/65/514889565.db2.gz RPEHHXQMFRCICM-CYBMUJFWSA-N 0 3 373.409 2.536 20 5 FFBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000462190956 514929913 /nfs/dbraw/zinc/92/99/13/514929913.db2.gz RNCWPDHHSNVFGO-ACJLOTCBSA-N 0 3 357.385 2.984 20 5 FFBDHN COc1ccc(CN(CCn2cc([N+](=O)[O-])cn2)CC2CC2)c(OC)c1 ZINC000503233022 514971653 /nfs/dbraw/zinc/97/16/53/514971653.db2.gz JEDGZRZOEXYTJR-UHFFFAOYSA-N 0 3 360.414 2.721 20 5 FFBDHN CN(C)[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)c1ccc(F)cc1 ZINC000509029233 514994831 /nfs/dbraw/zinc/99/48/31/514994831.db2.gz DISNNYHBDKNOLK-INIZCTEOSA-N 0 3 355.373 2.814 20 5 FFBDHN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CCN1C ZINC000462480375 515075421 /nfs/dbraw/zinc/07/54/21/515075421.db2.gz LUIANQHGYDWVFD-ZBFHGGJFSA-N 0 3 356.426 2.885 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000467709061 515088777 /nfs/dbraw/zinc/08/87/77/515088777.db2.gz PCGGWMPECNXEMH-UHIISALHSA-N 0 3 367.833 2.614 20 5 FFBDHN Cc1c(CNC(=O)N2CCN(C3CCC3)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000490198267 515137902 /nfs/dbraw/zinc/13/79/02/515137902.db2.gz CJGVYZBCRXWGJA-AWEZNQCLSA-N 0 3 360.458 2.919 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC2(N(C)C)CCCCC2)c1C ZINC000480941613 515146720 /nfs/dbraw/zinc/14/67/20/515146720.db2.gz YJZPVSOZZKOLPI-UHFFFAOYSA-N 0 3 369.487 2.754 20 5 FFBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000462780260 515240508 /nfs/dbraw/zinc/24/05/08/515240508.db2.gz VTPXUPRDQHPBBD-YJBOKZPZSA-N 0 3 365.499 2.717 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(C(F)F)CC1 ZINC000486135271 515348699 /nfs/dbraw/zinc/34/86/99/515348699.db2.gz IEHKYYVWGVJEEE-UHFFFAOYSA-N 0 3 357.357 2.909 20 5 FFBDHN CN(CC(=O)N1CCN(CCC(C)(C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC000463179073 515386015 /nfs/dbraw/zinc/38/60/15/515386015.db2.gz YKEOCQOBDLGUIA-UHFFFAOYSA-N 0 3 362.474 2.611 20 5 FFBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1ccc(C(N)=O)nc1 ZINC000504894368 515402263 /nfs/dbraw/zinc/40/22/63/515402263.db2.gz KZMGXRIBQMKBRD-CYBMUJFWSA-N 0 3 360.439 2.749 20 5 FFBDHN CN1C[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000481757048 515454397 /nfs/dbraw/zinc/45/43/97/515454397.db2.gz WQJCCCYRSJYVQQ-IAGOWNOFSA-N 0 3 369.421 2.578 20 5 FFBDHN COc1cc(CNC[C@@]2(C)CCCO2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493687789 515656306 /nfs/dbraw/zinc/65/63/06/515656306.db2.gz NFKQGMRUEFQONN-MRXNPFEDSA-N 0 3 360.357 2.906 20 5 FFBDHN CCCCN(C)CCNC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000486879028 515669539 /nfs/dbraw/zinc/66/95/39/515669539.db2.gz HVDVXOKVSPUGFK-UHFFFAOYSA-N 0 3 366.418 2.543 20 5 FFBDHN COc1ccc(-c2ccc(CNCCc3cn(C)cn3)o2)c([N+](=O)[O-])c1 ZINC000459659446 515725712 /nfs/dbraw/zinc/72/57/12/515725712.db2.gz KAGGBQDDKUMNPC-UHFFFAOYSA-N 0 3 356.382 2.929 20 5 FFBDHN C[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000487092473 515755344 /nfs/dbraw/zinc/75/53/44/515755344.db2.gz JJMOSGMDFPFHSB-CRAIPNDOSA-N 0 3 369.469 2.605 20 5 FFBDHN CO[C@@H]1C[C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000459740690 515780015 /nfs/dbraw/zinc/78/00/15/515780015.db2.gz BNRAASGHTFALPQ-ZIAGYGMSSA-N 0 3 353.806 2.734 20 5 FFBDHN CN(CCn1ccc([N+](=O)[O-])n1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511120209 515792116 /nfs/dbraw/zinc/79/21/16/515792116.db2.gz BXRHRNITVXHNBS-UHFFFAOYSA-N 0 3 358.320 2.864 20 5 FFBDHN C[C@H](NCCC(=O)NCC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000511166204 515812542 /nfs/dbraw/zinc/81/25/42/515812542.db2.gz BEHBRPAXSLCTAG-AWEZNQCLSA-N 0 3 355.394 2.635 20 5 FFBDHN Cc1c(CNC(=O)NC[C@@H](Cc2ccccc2)N(C)C)cccc1[N+](=O)[O-] ZINC000478460834 515834624 /nfs/dbraw/zinc/83/46/24/515834624.db2.gz KCYMKSZJSMVKOW-GOSISDBHSA-N 0 3 370.453 2.875 20 5 FFBDHN CCN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000500900117 515900651 /nfs/dbraw/zinc/90/06/51/515900651.db2.gz HYWGBDIMDWKDJE-GDBMZVCRSA-N 0 3 371.441 2.626 20 5 FFBDHN CN(C)C(=O)[C@H]1CCCN1CCCNc1ccc([N+](=O)[O-])cc1Cl ZINC000506755503 515975175 /nfs/dbraw/zinc/97/51/75/515975175.db2.gz VOFCBUNPYJPVMV-OAHLLOKOSA-N 0 3 354.838 2.603 20 5 FFBDHN COC(=O)COc1ccc(CNCCc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000474357245 516008700 /nfs/dbraw/zinc/00/87/00/516008700.db2.gz WOQBBQZGMTVRCH-UHFFFAOYSA-N 0 3 362.357 2.618 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000487925646 516035843 /nfs/dbraw/zinc/03/58/43/516035843.db2.gz WVQYQZZDGFOOKU-NHYWBVRUSA-N 0 3 366.849 2.573 20 5 FFBDHN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC000460215058 516070464 /nfs/dbraw/zinc/07/04/64/516070464.db2.gz PXTNQDGXPKFQNH-UONOGXRCSA-N 0 3 358.446 2.792 20 5 FFBDHN Cc1nn(CCC(=O)Nc2ccccc2CCN(C)C)c(C)c1[N+](=O)[O-] ZINC000474633088 516130393 /nfs/dbraw/zinc/13/03/93/516130393.db2.gz LURMDFSMCQPQCO-UHFFFAOYSA-N 0 3 359.430 2.541 20 5 FFBDHN C[C@@H]1CCCN(CCCCNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000497544292 516325885 /nfs/dbraw/zinc/32/58/85/516325885.db2.gz WKEBOALATLKCGO-CQSZACIVSA-N 0 3 369.487 2.922 20 5 FFBDHN Cc1c(NC(=O)CCN2CC[C@H](COC(F)F)C2)cccc1[N+](=O)[O-] ZINC000512817293 516372177 /nfs/dbraw/zinc/37/21/77/516372177.db2.gz LJLCXGUNLHQRIW-LBPRGKRZSA-N 0 3 357.357 2.793 20 5 FFBDHN CCc1ccc([C@H](CNC(=O)c2nn(C)cc2[N+](=O)[O-])N(CC)CC)cc1 ZINC000554453029 516443541 /nfs/dbraw/zinc/44/35/41/516443541.db2.gz QQAVWESEUFHHPW-INIZCTEOSA-N 0 3 373.457 2.704 20 5 FFBDHN COc1ccc(C(=O)NCCN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000540193730 516469059 /nfs/dbraw/zinc/46/90/59/516469059.db2.gz CLEMBPSUEOHGEX-AWEZNQCLSA-N 0 3 357.410 2.992 20 5 FFBDHN C[C@H](CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-])N(C)C ZINC000513118674 516481147 /nfs/dbraw/zinc/48/11/47/516481147.db2.gz OBAVSFKVJRYZFL-SECBINFHSA-N 0 3 353.220 2.689 20 5 FFBDHN Cc1ccnc(NCCCCN2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000523759860 516571250 /nfs/dbraw/zinc/57/12/50/516571250.db2.gz QXPQIVAVLLBNGB-UHFFFAOYSA-N 0 3 369.469 2.734 20 5 FFBDHN C[C@@H]1C[C@@H](NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CN1C1CC1 ZINC000554699310 516592708 /nfs/dbraw/zinc/59/27/08/516592708.db2.gz BWJWVVBPLNDRLV-TZMCWYRMSA-N 0 3 371.441 2.543 20 5 FFBDHN O=[N+]([O-])c1ccccc1/C=C\CNCc1ccc2c(c1)CCS2(=O)=O ZINC000540619997 516642835 /nfs/dbraw/zinc/64/28/35/516642835.db2.gz VMVFUAFOQFQLKK-HYXAFXHYSA-N 0 3 358.419 2.728 20 5 FFBDHN Cc1c(Br)c(N(C)C[C@@H]2CCCN(C)C2)ncc1[N+](=O)[O-] ZINC000554847936 516661736 /nfs/dbraw/zinc/66/17/36/516661736.db2.gz CGUDGVQAYBAVLQ-LLVKDONJSA-N 0 3 357.252 2.839 20 5 FFBDHN CN1CC[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000536193835 516671799 /nfs/dbraw/zinc/67/17/99/516671799.db2.gz ULNOVEBZFLGNOY-MOPGFXCFSA-N 0 3 368.437 2.882 20 5 FFBDHN CC[C@@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000513763054 516746383 /nfs/dbraw/zinc/74/63/83/516746383.db2.gz VEDNCOFEYVKDEK-WMZOPIPTSA-N 0 3 357.458 2.882 20 5 FFBDHN CN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H]1CCN(C2CC2)C1 ZINC000518899064 516814173 /nfs/dbraw/zinc/81/41/73/516814173.db2.gz PPCUVIQZESFXFZ-QGZVFWFLSA-N 0 3 372.469 2.506 20 5 FFBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514212108 516906197 /nfs/dbraw/zinc/90/61/97/516906197.db2.gz BFVYBZUIPCHYJY-JQWIXIFHSA-N 0 3 357.357 2.608 20 5 FFBDHN Cc1sc(S(=O)(=O)[N-]CCCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000555414540 516917112 /nfs/dbraw/zinc/91/71/12/516917112.db2.gz UMVLLJPSBDJFOB-UHFFFAOYSA-N 0 3 361.489 2.509 20 5 FFBDHN CC[C@H](C)C[C@H](CC)[NH2+]CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536857086 516956384 /nfs/dbraw/zinc/95/63/84/516956384.db2.gz IQOGZZDQLQGLLP-KBPBESRZSA-N 0 3 357.476 2.678 20 5 FFBDHN CS[C@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@@H]1N1CCCC1 ZINC000548517011 517030766 /nfs/dbraw/zinc/03/07/66/517030766.db2.gz YRQXZMIMYFTEDV-HOTGVXAUSA-N 0 3 374.466 2.728 20 5 FFBDHN COc1ccc([C@H](CN2CCCC2)NC(=O)c2cc([N+](=O)[O-])cn2C)cc1 ZINC000541856781 517255550 /nfs/dbraw/zinc/25/55/50/517255550.db2.gz FSPIGTANCCKPRI-KRWDZBQOSA-N 0 3 372.425 2.509 20 5 FFBDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)c1ncc([N+](=O)[O-])cn1 ZINC000545474646 517257614 /nfs/dbraw/zinc/25/76/14/517257614.db2.gz XXECSMSJPYCPLO-UHFFFAOYSA-N 0 3 369.347 2.972 20 5 FFBDHN COc1ccc(-c2ccc(CN[C@@H](C)CN3CCCC3=O)o2)c([N+](=O)[O-])c1 ZINC000520204997 517299880 /nfs/dbraw/zinc/29/98/80/517299880.db2.gz OQIHFPWNFGIEDT-ZDUSSCGKSA-N 0 3 373.409 2.964 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H](C)CN2CCCCC2)c1C ZINC000515520505 517390840 /nfs/dbraw/zinc/39/08/40/517390840.db2.gz HULVAUNYUQJFFA-CYBMUJFWSA-N 0 3 369.487 2.612 20 5 FFBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)COCc1cccs1 ZINC000549156547 517429113 /nfs/dbraw/zinc/42/91/13/517429113.db2.gz HUAJNMXFQUTXNV-MRXNPFEDSA-N 0 3 350.440 2.708 20 5 FFBDHN C[C@H]1CCN(CCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000542351055 517516119 /nfs/dbraw/zinc/51/61/19/517516119.db2.gz DDIFBZCRSLTWIW-NSHDSACASA-N 0 3 357.863 2.798 20 5 FFBDHN CCC(CC)[C@H](CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)N(C)C ZINC000527136274 517523952 /nfs/dbraw/zinc/52/39/52/517523952.db2.gz DNLVPMJBTMARTI-INIZCTEOSA-N 0 3 357.476 2.548 20 5 FFBDHN CCCCN(C)C[C@H](C)NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000516035809 517544129 /nfs/dbraw/zinc/54/41/29/517544129.db2.gz SITYXXVWXYVNKO-AWEZNQCLSA-N 0 3 357.476 2.610 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2ccnc(C(F)(F)F)c2)c1 ZINC000562998421 517570409 /nfs/dbraw/zinc/57/04/09/517570409.db2.gz IFVAQPZKCZTREC-CYBMUJFWSA-N 0 3 371.315 2.538 20 5 FFBDHN CCc1nn(C)c(N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c1[N+](=O)[O-] ZINC000553337504 517653270 /nfs/dbraw/zinc/65/32/70/517653270.db2.gz LOTLBPDULMQNOE-HXUWFJFHSA-N 0 3 369.469 2.993 20 5 FFBDHN COc1cc(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000521670969 517821363 /nfs/dbraw/zinc/82/13/63/517821363.db2.gz CPTNZLOLAIQJRK-STQMWFEESA-N 0 3 365.430 2.605 20 5 FFBDHN CC(C)C[C@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000557393527 517988317 /nfs/dbraw/zinc/98/83/17/517988317.db2.gz SQFNXLGTFHMHHP-QZTJIDSGSA-N 0 3 359.474 2.984 20 5 FFBDHN CCN(CC)[C@@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)CC(C)C ZINC000550343602 518007797 /nfs/dbraw/zinc/00/77/97/518007797.db2.gz CTDKHIYERWYNJR-CQSZACIVSA-N 0 3 361.446 2.834 20 5 FFBDHN CSC1C(=O)Nc2ccc(-c3noc(-c4cc([N+](=O)[O-])c[nH]4)n3)cc21 ZINC000547202226 518018834 /nfs/dbraw/zinc/01/88/34/518018834.db2.gz ANASAPNXKHTXNG-GFCCVEGCSA-N 0 3 357.351 2.996 20 5 FFBDHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCN(C2CCCCC2)CC1 ZINC000557500126 518040943 /nfs/dbraw/zinc/04/09/43/518040943.db2.gz ZUPMCPYDCJTOOJ-UHFFFAOYSA-N 0 3 367.396 2.892 20 5 FFBDHN CN(C)CCOc1ccccc1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000543436480 518091643 /nfs/dbraw/zinc/09/16/43/518091643.db2.gz POABLGYXYIALHW-UHFFFAOYSA-N 0 3 367.409 2.512 20 5 FFBDHN CCc1ccc([C@@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)N(CC)CC)cc1 ZINC000554220379 518109857 /nfs/dbraw/zinc/10/98/57/518109857.db2.gz QCRGIMDOIKHCBY-QGZVFWFLSA-N 0 3 373.457 2.553 20 5 FFBDHN C[C@H]1[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000564003668 518265920 /nfs/dbraw/zinc/26/59/20/518265920.db2.gz UFEAVOLNFZVPMV-DOTOQJQBSA-N 0 3 369.421 2.753 20 5 FFBDHN CSc1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)N(C)C)cc1 ZINC000564094409 518304403 /nfs/dbraw/zinc/30/44/03/518304403.db2.gz NOFVEVUXTVEUEZ-INIZCTEOSA-N 0 3 374.466 2.932 20 5 FFBDHN C[C@@H](CNC[C@H](O)COc1cccc([N+](=O)[O-])c1)Oc1ccccc1F ZINC000575917393 518343089 /nfs/dbraw/zinc/34/30/89/518343089.db2.gz XGBTYMVVLOIEDL-ZFWWWQNUSA-N 0 3 364.373 2.531 20 5 FFBDHN CCCN1CCC(CNS(=O)(=O)c2ccc(CC)c([N+](=O)[O-])c2)CC1 ZINC000575984504 518372514 /nfs/dbraw/zinc/37/25/14/518372514.db2.gz XBGFFNWKMFKZOX-UHFFFAOYSA-N 0 3 369.487 2.558 20 5 FFBDHN O=C(CCN1CCc2ccccc2C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000581775689 518449644 /nfs/dbraw/zinc/44/96/44/518449644.db2.gz YIRIGPYYWSEVPD-UHFFFAOYSA-N 0 3 365.433 2.928 20 5 FFBDHN Cc1cc2ncn(C[C@@H](O)CNCc3cccc([N+](=O)[O-])c3)c2cc1C ZINC000582020522 518548857 /nfs/dbraw/zinc/54/88/57/518548857.db2.gz QBEFMBDFSMJMGV-KRWDZBQOSA-N 0 3 354.410 2.712 20 5 FFBDHN CN1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)[C@H]2C1 ZINC000585783655 518596231 /nfs/dbraw/zinc/59/62/31/518596231.db2.gz ZLUVLQCGSKGCCF-DLBZAZTESA-N 0 3 354.410 2.566 20 5 FFBDHN CCOc1cc(C(=O)N2C[C@@H](N)Cc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000564792929 518616445 /nfs/dbraw/zinc/61/64/45/518616445.db2.gz FGOAMJZJNJZJTG-ZDUSSCGKSA-N 0 3 371.393 2.532 20 5 FFBDHN O=C([C@H]1CNCc2ccccc21)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000579350304 518639399 /nfs/dbraw/zinc/63/93/99/518639399.db2.gz GUNGJVOTDOWDGI-IBGZPJMESA-N 0 3 351.406 2.973 20 5 FFBDHN CCc1ccc(S(=O)(=O)N(C)[C@H]2CCN(CC)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000567771054 518702511 /nfs/dbraw/zinc/70/25/11/518702511.db2.gz OCRJMEHEABPQPG-ZFWWWQNUSA-N 0 3 369.487 2.651 20 5 FFBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCn1cc(Br)cn1 ZINC000579852588 518888477 /nfs/dbraw/zinc/88/84/77/518888477.db2.gz QLQMAUKQLXPIRF-ZDUSSCGKSA-N 0 3 351.204 2.831 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H]1CCCOc2ccccc21 ZINC000571198627 518974778 /nfs/dbraw/zinc/97/47/78/518974778.db2.gz SMWGTLAFYKAWRG-GOEBONIOSA-N 0 3 358.394 2.838 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@]1(CO)C[C@@H]1c1ccccc1)OCCO2 ZINC000589325091 518981301 /nfs/dbraw/zinc/98/13/01/518981301.db2.gz LDTMJKQUXJJEQW-UZLBHIALSA-N 0 3 370.405 2.622 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H](c2ccccc2)[C@@H]2CCCO2)c1 ZINC000580184548 519049170 /nfs/dbraw/zinc/04/91/70/519049170.db2.gz GXHKQOZHNVCVJL-YZGWKJHDSA-N 0 3 372.421 2.844 20 5 FFBDHN O=[N+]([O-])c1ccc(OCCCN2CC[C@@](CO)(c3ccccc3)C2)cc1 ZINC000589749313 519075261 /nfs/dbraw/zinc/07/52/61/519075261.db2.gz HEMUECHEISISIC-HXUWFJFHSA-N 0 3 356.422 3.000 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2CCC[C@H]2C2CC2)cc1 ZINC000568619405 519132525 /nfs/dbraw/zinc/13/25/25/519132525.db2.gz BPKFQEJHBKKYBR-YOEHRIQHSA-N 0 3 352.456 2.784 20 5 FFBDHN Cc1cc(OCC(=O)N2CCN(C3CCC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000580466090 519190564 /nfs/dbraw/zinc/19/05/64/519190564.db2.gz KISDDIGRYMOYRC-AWEZNQCLSA-N 0 3 361.442 2.615 20 5 FFBDHN CSCc1cccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000574513610 519191600 /nfs/dbraw/zinc/19/16/00/519191600.db2.gz ZDGLNVHWBQSKFK-INIZCTEOSA-N 0 3 362.451 2.987 20 5 FFBDHN Cc1cccc(-c2cccc(CNC[C@@H](O)Cn3cc([N+](=O)[O-])cn3)c2)c1 ZINC000577722701 519222717 /nfs/dbraw/zinc/22/27/17/519222717.db2.gz WZMIJMFRJFGMRG-HXUWFJFHSA-N 0 3 366.421 2.917 20 5 FFBDHN CN1C[C@H]2CCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000590446471 519235468 /nfs/dbraw/zinc/23/54/68/519235468.db2.gz VOBVPFYNTLEUHX-MFKMUULPSA-N 0 3 355.847 2.503 20 5 FFBDHN C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@@H]4CN(C)C[C@H]43)cc2[N+](=O)[O-])C1 ZINC000590447600 519235487 /nfs/dbraw/zinc/23/54/87/519235487.db2.gz ZLQTZWLYMKXIPQ-IDHHARJASA-N 0 3 372.469 2.607 20 5 FFBDHN CC(C)c1ccc(C(=O)N2CCOC[C@@H]2[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000590566390 519268145 /nfs/dbraw/zinc/26/81/45/519268145.db2.gz ZRKUXBIHXYTAME-SJLPKXTDSA-N 0 3 361.442 2.653 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000590656889 519303798 /nfs/dbraw/zinc/30/37/98/519303798.db2.gz FSEXDIZUDBNOHP-NXHRZFHOSA-N 0 3 362.426 2.897 20 5 FFBDHN CN(Cc1ccccc1)C1(CNC(=O)c2ccc([N+](=O)[O-])cn2)CCC1 ZINC000580993724 519465578 /nfs/dbraw/zinc/46/55/78/519465578.db2.gz FOOQNMFPDSJAHZ-UHFFFAOYSA-N 0 3 354.410 2.774 20 5 FFBDHN Cc1ccccc1C1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000584048056 519566079 /nfs/dbraw/zinc/56/60/79/519566079.db2.gz BLRDKLNVTXYANK-UHFFFAOYSA-N 0 3 374.462 2.998 20 5 FFBDHN C[C@H]1CCN(CCNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC000575319371 519587081 /nfs/dbraw/zinc/58/70/81/519587081.db2.gz FAHPZVCIWBCMPS-AWEZNQCLSA-N 0 3 354.410 2.728 20 5 FFBDHN CCc1ccccc1[C@H](N)CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000591361036 519608921 /nfs/dbraw/zinc/60/89/21/519608921.db2.gz XYTCIYGBEYXANX-GOSISDBHSA-N 0 3 368.437 2.925 20 5 FFBDHN O=[N+]([O-])c1cc(I)cc(CN[C@H]2CCSC2)c1 ZINC000566709278 519619187 /nfs/dbraw/zinc/61/91/87/519619187.db2.gz ZMFDPDCPXDDDAO-JTQLQIEISA-N 0 3 364.208 2.795 20 5 FFBDHN CC[C@@H](NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000594519457 520011368 /nfs/dbraw/zinc/01/13/68/520011368.db2.gz KUSSKLBYOYQRLP-ZBFHGGJFSA-N 0 3 366.414 2.584 20 5 FFBDHN CCOc1ccc(OC[C@H](O)CNCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000591763452 520028855 /nfs/dbraw/zinc/02/88/55/520028855.db2.gz HDUWFCRVUZHDDM-MRXNPFEDSA-N 0 3 360.410 2.831 20 5 FFBDHN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCNC2(CCCCC2)C1 ZINC000594628953 520061334 /nfs/dbraw/zinc/06/13/34/520061334.db2.gz RJIRGGARVCVPQP-UHFFFAOYSA-N 0 3 369.425 2.529 20 5 FFBDHN Cc1cc(S(=O)(=O)NC[C@H]2CCN(C(C)(C)C)C2)c(C)cc1[N+](=O)[O-] ZINC000594787691 520158710 /nfs/dbraw/zinc/15/87/10/520158710.db2.gz CDPHQBBYBHOESV-CQSZACIVSA-N 0 3 369.487 2.610 20 5 FFBDHN O=[N+]([O-])c1cnccc1Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000608974605 520172383 /nfs/dbraw/zinc/17/23/83/520172383.db2.gz OQCXWJATHZRCES-UHFFFAOYSA-N 0 3 353.426 2.687 20 5 FFBDHN CN1CC[C@]2(C1)CCCN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C2 ZINC000597711916 520192135 /nfs/dbraw/zinc/19/21/35/520192135.db2.gz XMOFMDGRZANGEL-KRWDZBQOSA-N 0 3 369.368 2.754 20 5 FFBDHN CN(C)CCOc1ccc(CCNC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000609182129 520222040 /nfs/dbraw/zinc/22/20/40/520222040.db2.gz AVUPVINAWTVRSU-UHFFFAOYSA-N 0 3 357.410 2.508 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC(C)(C)[C@@]1(O)CCCOC1 ZINC000594996539 520249902 /nfs/dbraw/zinc/24/99/02/520249902.db2.gz OZQLDXIKDQXEFG-GOSISDBHSA-N 0 3 352.431 2.651 20 5 FFBDHN C[C@H](c1ccccc1)[C@@H](O)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000595001972 520251501 /nfs/dbraw/zinc/25/15/01/520251501.db2.gz YTHFWWWBNYJZRM-DYVFJYSZSA-N 0 3 358.394 2.620 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC1CCN(c2cc(C)[nH]n2)CC1 ZINC000595043383 520266717 /nfs/dbraw/zinc/26/67/17/520266717.db2.gz XAUGMKFNEODRPE-ZDUSSCGKSA-N 0 3 359.430 2.955 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CCO[C@@H](c2ccnn2C)C1 ZINC000595051834 520270630 /nfs/dbraw/zinc/27/06/30/520270630.db2.gz OSKVDYQBJCTULI-ZJNRKIDTSA-N 0 3 360.414 2.908 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CCO[C@H](c2ccnn2C)C1 ZINC000595051831 520270785 /nfs/dbraw/zinc/27/07/85/520270785.db2.gz OSKVDYQBJCTULI-JCGVRSQUSA-N 0 3 360.414 2.908 20 5 FFBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000609358853 520294863 /nfs/dbraw/zinc/29/48/63/520294863.db2.gz GBPRTJXAGSWZHM-HUUCEWRRSA-N 0 3 363.462 2.569 20 5 FFBDHN O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000603567784 520309161 /nfs/dbraw/zinc/30/91/61/520309161.db2.gz OHWAXJGQNDODJI-IBGZPJMESA-N 0 3 369.421 2.927 20 5 FFBDHN CN(C)CCOc1ccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000609442295 520313112 /nfs/dbraw/zinc/31/31/12/520313112.db2.gz WFAKDFCKSWPRQA-UHFFFAOYSA-N 0 3 361.373 2.604 20 5 FFBDHN CC(C)(C)N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000597922685 520324272 /nfs/dbraw/zinc/32/42/72/520324272.db2.gz KVKHNSIHLGBGKR-JTQLQIEISA-N 0 3 370.247 2.960 20 5 FFBDHN CC(C)(C)N1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000597922680 520324408 /nfs/dbraw/zinc/32/44/08/520324408.db2.gz KPVMRDWWAAAJRN-SNVBAGLBSA-N 0 3 357.357 2.799 20 5 FFBDHN CCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000597945577 520344092 /nfs/dbraw/zinc/34/40/92/520344092.db2.gz ITDLLUNPUSVAKO-AAEUAGOBSA-N 0 3 355.822 2.568 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCCN(c3ccccc3)CC2)c1 ZINC000603844639 520374771 /nfs/dbraw/zinc/37/47/71/520374771.db2.gz WFKGBVQTTWDKGO-IBGZPJMESA-N 0 3 371.437 2.547 20 5 FFBDHN COc1cc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)cc([N+](=O)[O-])c1C ZINC000595258680 520375970 /nfs/dbraw/zinc/37/59/70/520375970.db2.gz VZKQFONWIFLODY-SFHVURJKSA-N 0 3 371.393 2.825 20 5 FFBDHN Cc1cc(S(=O)(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000609673406 520403617 /nfs/dbraw/zinc/40/36/17/520403617.db2.gz GVPOVVXVGKLYMF-KBPBESRZSA-N 0 3 369.487 2.550 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000617353047 520449996 /nfs/dbraw/zinc/44/99/96/520449996.db2.gz MYHLSYZSOBWGQL-KRWDZBQOSA-N 0 3 369.421 2.950 20 5 FFBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000598261413 520524857 /nfs/dbraw/zinc/52/48/57/520524857.db2.gz FFLOQQKCXAPKAV-HNNXBMFYSA-N 0 3 371.441 2.631 20 5 FFBDHN CC(C)(C)OC(=O)CC1(NCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000595541460 520539264 /nfs/dbraw/zinc/53/92/64/520539264.db2.gz ZBRRTLIUHXTHBK-UHFFFAOYSA-N 0 3 350.415 2.965 20 5 FFBDHN Cc1c(C(=O)NCC2(N(C)C)Cc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000610180404 520570816 /nfs/dbraw/zinc/57/08/16/520570816.db2.gz HXRNCKKROFAJRB-UHFFFAOYSA-N 0 3 353.422 2.732 20 5 FFBDHN CC[C@@H]1CCCCN1CCNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000610197836 520574634 /nfs/dbraw/zinc/57/46/34/520574634.db2.gz ANNYGBSWXJOTBI-CQSZACIVSA-N 0 3 365.430 2.606 20 5 FFBDHN COC1CCN(C2(CNc3ncc(F)cc3[N+](=O)[O-])CCCC2)CC1 ZINC000601114951 520643295 /nfs/dbraw/zinc/64/32/95/520643295.db2.gz BXZWWDRQFVIAFA-UHFFFAOYSA-N 0 3 352.410 2.964 20 5 FFBDHN CCCCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccc(C)o1 ZINC000610368244 520653622 /nfs/dbraw/zinc/65/36/22/520653622.db2.gz PYDQZVDCNOYKHN-GOEBONIOSA-N 0 3 350.419 2.917 20 5 FFBDHN C[C@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CCN(C2CCC2)C1 ZINC000601167846 520671224 /nfs/dbraw/zinc/67/12/24/520671224.db2.gz GPPQLOCTCSSQOV-SNVBAGLBSA-N 0 3 361.368 2.658 20 5 FFBDHN Cc1cc(NC[C@H](n2cncn2)C(F)(F)F)c2cc([N+](=O)[O-])ccc2n1 ZINC000601219264 520692805 /nfs/dbraw/zinc/69/28/05/520692805.db2.gz FVCXQIPTVLCBQN-AWEZNQCLSA-N 0 3 366.303 2.680 20 5 FFBDHN COC(=O)c1ccnc(N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000598589926 520730115 /nfs/dbraw/zinc/73/01/15/520730115.db2.gz VQQZAWLRSGNCNR-XQQFMLRXSA-N 0 3 350.419 2.555 20 5 FFBDHN CN1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@H](Cc2ccccc2)C1 ZINC000593088513 520734836 /nfs/dbraw/zinc/73/48/36/520734836.db2.gz FYYVUUUFBKWYCT-LJQANCHMSA-N 0 3 355.438 2.832 20 5 FFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000601355136 520751841 /nfs/dbraw/zinc/75/18/41/520751841.db2.gz KNLQFJJKOPTKFR-STQMWFEESA-N 0 3 373.450 2.536 20 5 FFBDHN O=C(NC[C@H]1CCN(Cc2ccccc2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000601540287 520832433 /nfs/dbraw/zinc/83/24/33/520832433.db2.gz GYBKZUZGQYBSKD-OAHLLOKOSA-N 0 3 357.385 2.986 20 5 FFBDHN CN(C)C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)c1ccc(Cl)cc1 ZINC000593240449 520849937 /nfs/dbraw/zinc/84/99/37/520849937.db2.gz HRGZFYZRBAVSOE-CYBMUJFWSA-N 0 3 364.833 2.662 20 5 FFBDHN CN(CCCN(C)C(=O)c1c(F)cccc1[N+](=O)[O-])Cc1ccncc1 ZINC000601581386 520850192 /nfs/dbraw/zinc/85/01/92/520850192.db2.gz HSLDGRALFZSJDJ-UHFFFAOYSA-N 0 3 360.389 2.723 20 5 FFBDHN CN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CCOC(C)(C)C ZINC000610859908 520877328 /nfs/dbraw/zinc/87/73/28/520877328.db2.gz UMPJIEFKMJRADD-UHFFFAOYSA-N 0 3 351.403 2.640 20 5 FFBDHN COC(=O)c1c(Cl)c(N(C)[C@H]2CCN(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000596266055 521000602 /nfs/dbraw/zinc/00/06/02/521000602.db2.gz MZBGJTGFCUUMJY-NSHDSACASA-N 0 3 355.822 2.954 20 5 FFBDHN COC(=O)c1c(Cl)c(N(C)[C@@H]2CCN(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000596266053 521000700 /nfs/dbraw/zinc/00/07/00/521000700.db2.gz MZBGJTGFCUUMJY-LLVKDONJSA-N 0 3 355.822 2.954 20 5 FFBDHN C[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000599064215 521009137 /nfs/dbraw/zinc/00/91/37/521009137.db2.gz LDCUISGQIHRWAT-CRAIPNDOSA-N 0 3 369.469 2.605 20 5 FFBDHN C[C@@H](NC[C@@H]1CN(Cc2ccncc2)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000599086919 521024878 /nfs/dbraw/zinc/02/48/78/521024878.db2.gz BHVQBGCWAGWBFL-DNVCBOLYSA-N 0 3 356.426 2.541 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000599089062 521026569 /nfs/dbraw/zinc/02/65/69/521026569.db2.gz WWQQWYJHILNOBC-APWZRJJASA-N 0 3 370.453 2.850 20 5 FFBDHN CC1(N2CCOCC2)CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000599160660 521062516 /nfs/dbraw/zinc/06/25/16/521062516.db2.gz QNOCZLDSLTUKOQ-UHFFFAOYSA-N 0 3 356.426 2.834 20 5 FFBDHN CC(C)c1ccc(CN2CCN([C@@H]3CCCN(C)C3)CC2)cc1[N+](=O)[O-] ZINC000611270998 521070516 /nfs/dbraw/zinc/07/05/16/521070516.db2.gz YYBHFCAGPFLOJH-GOSISDBHSA-N 0 3 360.502 2.930 20 5 FFBDHN CN(CCN1CCN(c2sccc2[N+](=O)[O-])CC1)Cc1ccccc1 ZINC000611413255 521143667 /nfs/dbraw/zinc/14/36/67/521143667.db2.gz ZDMGFGJABRPXJB-UHFFFAOYSA-N 0 3 360.483 2.910 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](OC(F)F)C1 ZINC000611578666 521231939 /nfs/dbraw/zinc/23/19/39/521231939.db2.gz QXULITQCXLQXFH-CYBMUJFWSA-N 0 3 357.357 2.935 20 5 FFBDHN COCCC1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000599506368 521264272 /nfs/dbraw/zinc/26/42/72/521264272.db2.gz JEYKHASJKKUDOS-UHFFFAOYSA-N 0 3 363.414 2.641 20 5 FFBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCc3noc4ccccc34)C2)nc1 ZINC000593966976 521320561 /nfs/dbraw/zinc/32/05/61/521320561.db2.gz XCJOUNATJHMSTD-ZDUSSCGKSA-N 0 3 353.382 2.860 20 5 FFBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCc3noc4ccccc34)C2)nc1 ZINC000593966975 521320616 /nfs/dbraw/zinc/32/06/16/521320616.db2.gz XCJOUNATJHMSTD-CYBMUJFWSA-N 0 3 353.382 2.860 20 5 FFBDHN CC1(C)C(=O)N[C@H]1C1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593993372 521334965 /nfs/dbraw/zinc/33/49/65/521334965.db2.gz OJPRUKRWKRUBCA-KRWDZBQOSA-N 0 3 361.442 2.600 20 5 FFBDHN C[C@H](N[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599626595 521340339 /nfs/dbraw/zinc/34/03/39/521340339.db2.gz SELWJZLVLKWAAY-YQEZVOHVSA-N 0 3 355.822 2.977 20 5 FFBDHN CCOc1cc(CN[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)ccc1[N+](=O)[O-] ZINC000599629003 521343535 /nfs/dbraw/zinc/34/35/35/521343535.db2.gz DQINSTWMBKEGJP-KDOFPFPSSA-N 0 3 359.382 2.714 20 5 FFBDHN CCC1(N2CCOCC2)CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000599668517 521380987 /nfs/dbraw/zinc/38/09/87/521380987.db2.gz GRSQPNDVQAVOFK-UHFFFAOYSA-N 0 3 351.422 2.811 20 5 FFBDHN CCS(=O)(=O)c1ccc(CNCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000602653008 521458677 /nfs/dbraw/zinc/45/86/77/521458677.db2.gz YHHNVRKYNIDBFP-UHFFFAOYSA-N 0 3 354.453 2.782 20 5 FFBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000594199237 521465425 /nfs/dbraw/zinc/46/54/25/521465425.db2.gz IGRAZEJQHLSKPD-ZWKOTPCHSA-N 0 3 369.425 2.527 20 5 FFBDHN O=[N+]([O-])c1ccc(CCNCc2ccncc2OC[C@@H]2CCOC2)cc1 ZINC000602661670 521465966 /nfs/dbraw/zinc/46/59/66/521465966.db2.gz HRQSPQNPWCIQDR-MRXNPFEDSA-N 0 3 357.410 2.737 20 5 FFBDHN C[C@H](O)[C@@H](NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1F ZINC000602697831 521483287 /nfs/dbraw/zinc/48/32/87/521483287.db2.gz IVYYXQFGYSJPFQ-ORAYPTAESA-N 0 3 374.416 2.809 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000602834008 521559720 /nfs/dbraw/zinc/55/97/20/521559720.db2.gz XZVHRUARNRUXDG-GFCCVEGCSA-N 0 3 358.377 2.775 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000602838556 521562549 /nfs/dbraw/zinc/56/25/49/521562549.db2.gz UFNMQTUWSCYISA-SFHVURJKSA-N 0 3 358.442 2.983 20 5 FFBDHN O=[N+]([O-])c1ccc2oc(CN3CCCN(c4ccncc4)CC3)nc2c1 ZINC000602846033 521568049 /nfs/dbraw/zinc/56/80/49/521568049.db2.gz OSZLSHRKYKZTCX-UHFFFAOYSA-N 0 3 353.382 2.843 20 5 FFBDHN Nc1cc(N[C@H]2CCCN(Cc3ccccc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000619570346 521775101 /nfs/dbraw/zinc/77/51/01/521775101.db2.gz VIKQWKYBQVENMO-INIZCTEOSA-N 0 3 356.426 2.746 20 5 FFBDHN O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000823648324 606996089 /nfs/dbraw/zinc/99/60/89/606996089.db2.gz UQETVSDOJHFLPM-QGZVFWFLSA-N 0 3 364.409 2.886 20 5 FFBDHN O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000823648324 606996091 /nfs/dbraw/zinc/99/60/91/606996091.db2.gz UQETVSDOJHFLPM-QGZVFWFLSA-N 0 3 364.409 2.886 20 5 FFBDHN C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824656553 609314514 /nfs/dbraw/zinc/31/45/14/609314514.db2.gz LPPUMYCNBDWLQN-OLZOCXBDSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000824656553 609314516 /nfs/dbraw/zinc/31/45/16/609314516.db2.gz LPPUMYCNBDWLQN-OLZOCXBDSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824656553 609314518 /nfs/dbraw/zinc/31/45/18/609314518.db2.gz LPPUMYCNBDWLQN-OLZOCXBDSA-N 0 3 371.445 2.840 20 5 FFBDHN C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000824656553 609314519 /nfs/dbraw/zinc/31/45/19/609314519.db2.gz LPPUMYCNBDWLQN-OLZOCXBDSA-N 0 3 371.445 2.840 20 5 FFBDHN CN(C)CCN(Cc1ccco1)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000130088386 728715023 /nfs/dbraw/zinc/71/50/23/728715023.db2.gz FICBXXUXJHZSKX-UHFFFAOYSA-N 0 3 363.439 2.870 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1CC2(CO1)CCOCC2 ZINC000866533653 731071551 /nfs/dbraw/zinc/07/15/51/731071551.db2.gz SZGVRDUMSKWBTI-DZGCQCFKSA-N 0 3 350.415 2.840 20 5 FFBDHN CCO[C@H](C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-])[C@@H]1CCOC1 ZINC000870455157 731516565 /nfs/dbraw/zinc/51/65/65/731516565.db2.gz WGFCZJSXLXMJLG-MPTQWLOMSA-N 0 3 355.362 2.517 20 5 FFBDHN COC(=O)N1CCC(NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000876971071 732305602 /nfs/dbraw/zinc/30/56/02/732305602.db2.gz LLLDLDYOQUZBOR-UHFFFAOYSA-N 0 3 361.320 2.934 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@H](CO)[C@H](CO)C3)o2)c(Cl)c1 ZINC000877764740 732424999 /nfs/dbraw/zinc/42/49/99/732424999.db2.gz NMWMROLJPGQAOJ-TXEJJXNPSA-N 0 3 366.801 2.541 20 5 FFBDHN COC(=O)[C@@H]1CC[C@@H](NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000886651993 733812849 /nfs/dbraw/zinc/81/28/49/733812849.db2.gz WPYIJRXKAQZDBZ-BXKDBHETSA-N 0 3 357.204 2.789 20 5 FFBDHN COc1c(O)ccc(CNC[C@H]2CCC[C@@H](C(F)(F)F)O2)c1[N+](=O)[O-] ZINC000896822164 735184868 /nfs/dbraw/zinc/18/48/68/735184868.db2.gz HSDCYCRGDBDMFC-PWSUYJOCSA-N 0 3 364.320 2.899 20 5 FFBDHN COCC[C@H](Cc1cccc(Br)c1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813105787 741677589 /nfs/dbraw/zinc/67/75/89/741677589.db2.gz UNUYDPSHOPCENL-WCQYABFASA-N 0 3 374.231 2.853 20 5 FFBDHN CCOc1ccc(-c2nc(CC(=O)OCC(C)[N+](=O)[O-])cs2)cc1 ZINC000813109140 741678021 /nfs/dbraw/zinc/67/80/21/741678021.db2.gz OLPVLRVVFREREW-NSHDSACASA-N 0 3 350.396 2.960 20 5 FFBDHN COc1ccc(C(=O)Nc2ccc(C(=O)OCC(C)[N+](=O)[O-])s2)cc1 ZINC000813110048 741678030 /nfs/dbraw/zinc/67/80/30/741678030.db2.gz RIRXISLTQQVWMU-SNVBAGLBSA-N 0 3 364.379 2.831 20 5 FFBDHN CCN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)[C@@H]1CCN(CC)C1 ZINC000825018076 743195122 /nfs/dbraw/zinc/19/51/22/743195122.db2.gz GHDIYZMAAQJTFV-SECBINFHSA-N 0 3 358.801 2.526 20 5 FFBDHN Cn1nccc1[C@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000825046818 743201218 /nfs/dbraw/zinc/20/12/18/743201218.db2.gz YGWALANRRUUZDW-BLLLJJGKSA-N 0 3 350.806 2.992 20 5 FFBDHN CC1(C)[C@H](NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]2CCCO[C@H]21 ZINC000831319776 745514409 /nfs/dbraw/zinc/51/44/09/745514409.db2.gz AHJPQWYWHJEWPS-HFBAOOFYSA-N 0 3 367.833 2.980 20 5 FFBDHN CN(C)CCN(Cc1ccsc1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000838186358 746591870 /nfs/dbraw/zinc/59/18/70/746591870.db2.gz OSBKAAQKJHVEMK-UHFFFAOYSA-N 0 3 351.403 2.999 20 5 FFBDHN Cc1cc([C@H](N)CC(=O)N2CCc3c2cccc3[N+](=O)[O-])cc(Cl)n1 ZINC000843440286 747837386 /nfs/dbraw/zinc/83/73/86/747837386.db2.gz SLHOVSFEUKHXRG-CYBMUJFWSA-N 0 3 360.801 2.931 20 5 FFBDHN CS[C@@H]1CN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000843854288 747912259 /nfs/dbraw/zinc/91/22/59/747912259.db2.gz KDRHLSGTGLYAJW-HUUCEWRRSA-N 0 3 367.446 2.694 20 5 FFBDHN CC([C@@H](OC(=O)CCOC[C@@H]1CCCO1)c1ccccc1F)[N+](=O)[O-] ZINC000845872912 748340789 /nfs/dbraw/zinc/34/07/89/748340789.db2.gz ACHPUYXUDIPCEV-IIYDPXPESA-N 0 3 355.362 2.661 20 5 FFBDHN CC([C@@H](OC(=O)c1ccnn1CC(F)F)c1ccccc1F)[N+](=O)[O-] ZINC000845883501 748344624 /nfs/dbraw/zinc/34/46/24/748344624.db2.gz UCVMHQZMGZPQLO-YMTOWFKASA-N 0 3 357.288 2.851 20 5 FFBDHN C[C@H]1COCCN1C1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000846912884 748573406 /nfs/dbraw/zinc/57/34/06/748573406.db2.gz PJFJSWVJZKKKPZ-ZDUSSCGKSA-N 0 3 353.850 2.933 20 5 FFBDHN CC(COC(=O)c1cccc2c1CN(C(=O)OC(C)(C)C)C2)[N+](=O)[O-] ZINC000851037420 749490933 /nfs/dbraw/zinc/49/09/33/749490933.db2.gz VDJAHHOQGDZIAP-NSHDSACASA-N 0 3 350.371 2.759 20 5 FFBDHN CCOC(=O)[C@@H]1CC[C@H](C)N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000852204664 749802497 /nfs/dbraw/zinc/80/24/97/749802497.db2.gz UVHCWENKUNGRBX-NSNWQYSKSA-N 0 3 350.415 2.680 20 5 FFBDHN C[C@H](NC[C@H]1COCCN1C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000311304458 971844750 /nfs/dbraw/zinc/84/47/50/971844750.db2.gz OCJGCPJIBCFHOT-BBRMVZONSA-N 0 3 365.430 2.881 20 5 FFBDHN C[C@H](NC[C@@H]1COCCN1C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000311304465 971845347 /nfs/dbraw/zinc/84/53/47/971845347.db2.gz OCJGCPJIBCFHOT-XJKSGUPXSA-N 0 3 365.430 2.881 20 5 FFBDHN Nc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1[N+](=O)[O-] ZINC000010050373 1013315575 /nfs/dbraw/zinc/31/55/75/1013315575.db2.gz NADNBKSEOLTZGT-GOSISDBHSA-N 0 3 354.410 2.744 20 5 FFBDHN C[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1cc2cnccc2o1 ZINC001175637684 1013518860 /nfs/dbraw/zinc/51/88/60/1013518860.db2.gz AYWXYNIWEMONJA-OCCSQVGLSA-N 0 3 357.366 2.827 20 5 FFBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000874846341 1013917725 /nfs/dbraw/zinc/91/77/25/1013917725.db2.gz IRBPBBSGYZUSKX-ZWKOTPCHSA-N 0 3 358.442 2.504 20 5 FFBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000843816122 977307337 /nfs/dbraw/zinc/30/73/37/977307337.db2.gz BFIZYPQXHQXJNF-STQMWFEESA-N 0 3 367.421 2.662 20 5 FFBDHN CN(CCN1CCN(c2ccc([N+](=O)[O-])cc2F)CC1)Cc1ccccc1 ZINC000729184608 978197713 /nfs/dbraw/zinc/19/77/13/978197713.db2.gz FQMWYPXXISVHPP-UHFFFAOYSA-N 0 3 372.444 2.988 20 5 FFBDHN COc1cccc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000194368613 989220479 /nfs/dbraw/zinc/22/04/79/989220479.db2.gz YNQZFGNMJRVDTI-INIZCTEOSA-N 0 3 369.421 2.998 20 5 FFBDHN CC(C)(C)OC(=O)NCC1(NCc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000705628840 990477862 /nfs/dbraw/zinc/47/78/62/990477862.db2.gz CWFJPPLNBPQZQI-UHFFFAOYSA-N 0 3 365.430 2.758 20 5 FFBDHN Cc1ccc(NCCCNC(=O)C[C@H](N)c2ccccc2)c([N+](=O)[O-])c1 ZINC000237667281 991299478 /nfs/dbraw/zinc/29/94/78/991299478.db2.gz WSOBKYIPMLRHFU-INIZCTEOSA-N 0 3 356.426 2.912 20 5 FFBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@@H](c2nccs2)C1 ZINC000880319454 1015806381 /nfs/dbraw/zinc/80/63/81/1015806381.db2.gz GWKGZGTZWXZIOD-GFCCVEGCSA-N 0 3 374.422 2.839 20 5 FFBDHN CC(COC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1)[N+](=O)[O-] ZINC000813101787 995614413 /nfs/dbraw/zinc/61/44/13/995614413.db2.gz IRKSEQUFDQRYSL-YOEHRIQHSA-N 0 3 372.377 2.863 20 5 FFBDHN CC(COC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)[N+](=O)[O-] ZINC000813103948 995615392 /nfs/dbraw/zinc/61/53/92/995615392.db2.gz VEMLHIIVAISSNB-PXAZEXFGSA-N 0 3 355.346 2.963 20 5 FFBDHN Cc1cccc(CN(CCN(C)C)C(=O)c2ccc([N+](=O)[O-])cc2N)c1 ZINC001143776006 997660429 /nfs/dbraw/zinc/66/04/29/997660429.db2.gz IHESRWGVFGWWAC-UHFFFAOYSA-N 0 3 356.426 2.689 20 5 FFBDHN COc1cccc(N(CC(=O)OCC(C)[N+](=O)[O-])C(=O)OC(C)(C)C)c1 ZINC000845576998 998596068 /nfs/dbraw/zinc/59/60/68/998596068.db2.gz PUMDFXAYOAMJLD-LBPRGKRZSA-N 0 3 368.386 2.645 20 5 FFBDHN CCC(=O)N1CCC[C@H](C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])C1 ZINC000845875926 998676975 /nfs/dbraw/zinc/67/69/75/998676975.db2.gz OFHPSIKWCNKCTR-IGCXYCKISA-N 0 3 366.389 2.724 20 5 FFBDHN CC([C@H](OC(=O)[C@H](C)NC(=O)c1ccccc1)c1ccccc1F)[N+](=O)[O-] ZINC000845873502 998676992 /nfs/dbraw/zinc/67/69/92/998676992.db2.gz UXIXPSOZUXCZBE-DCGLDWPTSA-N 0 3 374.368 2.894 20 5 FFBDHN CC([C@H](OC(=O)c1cc2c(cn1)OCCO2)c1ccccc1F)[N+](=O)[O-] ZINC000845882084 998678407 /nfs/dbraw/zinc/67/84/07/998678407.db2.gz RBJBMTVTBBPBQD-HWPZZCPQSA-N 0 3 362.313 2.555 20 5 FFBDHN CC([C@H](OC(=O)c1cc2c(cn1)OCCO2)c1ccccc1F)[N+](=O)[O-] ZINC000845882086 998678475 /nfs/dbraw/zinc/67/84/75/998678475.db2.gz RBJBMTVTBBPBQD-QFYYESIMSA-N 0 3 362.313 2.555 20 5 FFBDHN CCOC(=O)c1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])on1 ZINC000845882640 998678595 /nfs/dbraw/zinc/67/85/95/998678595.db2.gz PGYPJJGTDJBSFF-XPTSAGLGSA-N 0 3 366.301 2.554 20 5 FFBDHN Cc1cc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)c(N)c([N+](=O)[O-])c1 ZINC000734178420 999222924 /nfs/dbraw/zinc/22/29/24/999222924.db2.gz XSJUHHLDMVWHGO-MRXNPFEDSA-N 0 3 368.437 2.880 20 5 FFBDHN COc1ccc(Cl)cc1N1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169037554 1000016627 /nfs/dbraw/zinc/01/66/27/1000016627.db2.gz SKMIGYVYUVHDAW-UKRRQHHQSA-N 0 3 353.850 2.916 20 5 FFBDHN CS(=O)(=O)c1ccc(C2CCN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169057959 1000019333 /nfs/dbraw/zinc/01/93/33/1000019333.db2.gz ZMFPSAPFMPMNCM-PBHICJAKSA-N 0 3 366.483 2.715 20 5 FFBDHN CCN1CCN(Cc2ccc(CNc3ccc(N)cc3[N+](=O)[O-])cc2)CC1 ZINC000804354937 1000115519 /nfs/dbraw/zinc/11/55/19/1000115519.db2.gz RYZQDOBADCGSEB-UHFFFAOYSA-N 0 3 369.469 2.927 20 5 FFBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000846972042 1000489931 /nfs/dbraw/zinc/48/99/31/1000489931.db2.gz LMGZPSISSDAFIJ-CYBMUJFWSA-N 0 3 364.402 2.676 20 5 FFBDHN COc1ccc(C[C@H](C)NCc2ccnc(OC(C)C)n2)c([N+](=O)[O-])c1 ZINC001170323695 1003111300 /nfs/dbraw/zinc/11/13/00/1003111300.db2.gz LKZYHXKNHSUNOE-ZDUSSCGKSA-N 0 3 360.414 2.901 20 5 FFBDHN COC(=O)C[C@H]1CCCN([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170352782 1003121463 /nfs/dbraw/zinc/12/14/63/1003121463.db2.gz QCYBNLMULHDCTR-ZIAGYGMSSA-N 0 3 350.415 2.810 20 5 FFBDHN COc1ccc(C[C@@H](C)N2CCC(NC(=O)C(C)C)CC2)c([N+](=O)[O-])c1 ZINC001170345820 1003132460 /nfs/dbraw/zinc/13/24/60/1003132460.db2.gz MJXDVBIVELLGTM-CQSZACIVSA-N 0 3 363.458 2.771 20 5 FFBDHN COC(=O)N1CCC(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])CC1 ZINC000851108083 1005861842 /nfs/dbraw/zinc/86/18/42/1005861842.db2.gz JIDPCAYFCHEWIF-IAQYHMDHSA-N 0 3 368.361 2.554 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@H](c3nnc4ccccn43)C2)cc1 ZINC000776584280 1005954815 /nfs/dbraw/zinc/95/48/15/1005954815.db2.gz KAZOSAJAJKXDFE-RDJZCZTQSA-N 0 3 367.409 2.551 20 5 FFBDHN CCN(CC)C(=O)C1(NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000776593138 1006005995 /nfs/dbraw/zinc/00/59/95/1006005995.db2.gz PKQSCSLNCYNUKS-QGZVFWFLSA-N 0 3 363.458 2.789 20 5 FFBDHN O=C1CCCN1C[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000776605804 1006116764 /nfs/dbraw/zinc/11/67/64/1006116764.db2.gz ONZDHTGJMCQGKR-RBUKOAKNSA-N 0 3 369.421 2.582 20 5 FFBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC001137204357 1007304032 /nfs/dbraw/zinc/30/40/32/1007304032.db2.gz DALGMRAQLFJWGT-ZIAGYGMSSA-N 0 3 367.421 2.662 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000820548777 1008347658 /nfs/dbraw/zinc/34/76/58/1008347658.db2.gz AWDAORXVLBLTOB-UHFFFAOYSA-N 0 3 363.458 2.831 20 5 FFBDHN O=C(OCCN1CCCCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000858985734 1008460590 /nfs/dbraw/zinc/46/05/90/1008460590.db2.gz NPYJWYNLUOWNOJ-UHFFFAOYSA-N 0 3 361.442 2.840 20 5 FFBDHN CO[C@@H]1CN(C)[C@@](C)(COC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C1 ZINC000861353160 1009371696 /nfs/dbraw/zinc/37/16/96/1009371696.db2.gz MIMAULZURQFLHR-KBXCAEBGSA-N 0 3 366.414 2.648 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCCONC(=O)OC(C)(C)C ZINC001179677437 1009414635 /nfs/dbraw/zinc/41/46/35/1009414635.db2.gz PZDIQPURAFDCTP-UHFFFAOYSA-N 0 3 369.418 2.930 20 5 FFBDHN COc1cc(CN[C@H]2CCC[C@H]2C(=O)OC(C)(C)C)c([N+](=O)[O-])cc1O ZINC001179746962 1009438383 /nfs/dbraw/zinc/43/83/83/1009438383.db2.gz FXFYCCGJVJVFMU-OLZOCXBDSA-N 0 3 366.414 2.909 20 5 FFBDHN CN(C)[C@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])Cc1ccccc1 ZINC000864612936 1010526587 /nfs/dbraw/zinc/52/65/87/1010526587.db2.gz XRZLJSCCKRYIKK-INIZCTEOSA-N 0 3 359.401 2.566 20 5 FFBDHN O=[N+]([O-])c1cc(CO)c(NCC2CCN(Cc3ccncc3)CC2)cc1F ZINC000865937820 1010891827 /nfs/dbraw/zinc/89/18/27/1010891827.db2.gz CQBMLPLEAYJOPM-UHFFFAOYSA-N 0 3 374.416 2.945 20 5 FFBDHN C[C@H](NCc1ccc(CN2CCNC2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000866573008 1011017664 /nfs/dbraw/zinc/01/76/64/1011017664.db2.gz FGIPDHPMDQOEPV-AWEZNQCLSA-N 0 3 354.410 2.971 20 5 FFBDHN COC(=O)CCN([C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C1CC1 ZINC001173193148 1012336123 /nfs/dbraw/zinc/33/61/23/1012336123.db2.gz QTXIHPLUFTYQDF-LLVKDONJSA-N 0 3 354.378 2.701 20 5 FFBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cn(Cc2ccccn2)cn1 ZINC001173218047 1012352955 /nfs/dbraw/zinc/35/29/55/1012352955.db2.gz AOHRLUDAMPJEKC-HNNXBMFYSA-N 0 3 351.410 2.955 20 5 FFBDHN CC([C@H](OC(=O)Cc1cnn2c1CCCC2)c1ccccc1F)[N+](=O)[O-] ZINC000870455442 1012392534 /nfs/dbraw/zinc/39/25/34/1012392534.db2.gz ZVYZETFNXDSOMZ-SGTLLEGYSA-N 0 3 361.373 2.851 20 5 FFBDHN COc1ccc(COC[C@@H](O)CNCc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000748819946 1017683019 /nfs/dbraw/zinc/68/30/19/1017683019.db2.gz RPYWYASLNAKRKA-KRWDZBQOSA-N 0 3 360.410 2.579 20 5 FFBDHN Cn1nc(C(F)(F)F)cc1CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000926926538 1018294821 /nfs/dbraw/zinc/29/48/21/1018294821.db2.gz BGDPQBUNROJBIE-RYUDHWBXSA-N 0 3 372.351 2.817 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1)[nH]cc2-c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001217509494 1032761989 /nfs/dbraw/zinc/76/19/89/1032761989.db2.gz XBZCRROALRVIOV-UHFFFAOYSA-N 0 3 362.349 2.834 20 5 FFBDHN Cc1c(C)c(C)c(CN2CC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(C)c1C ZINC001042705194 1019113452 /nfs/dbraw/zinc/11/34/52/1019113452.db2.gz LKYXSPUTOLZNFP-IEBWSBKVSA-N 0 3 359.470 2.537 20 5 FFBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@@](CO)(c3ccccc3)C2)cc1 ZINC000801580570 1019137598 /nfs/dbraw/zinc/13/75/98/1019137598.db2.gz MZRAKPHZTQPLOD-WOJBJXKFSA-N 0 3 356.422 2.654 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000931057742 1020300316 /nfs/dbraw/zinc/30/03/16/1020300316.db2.gz QHZWMOFTVMAEDY-OAHLLOKOSA-N 0 3 362.430 2.586 20 5 FFBDHN CN(C)CCN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000932210815 1020743452 /nfs/dbraw/zinc/74/34/52/1020743452.db2.gz LWLCUPYOLOMSQH-RBUKOAKNSA-N 0 3 368.437 2.684 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)C1CC[C@H](C(F)(F)F)NC1=O ZINC000778770145 1022347965 /nfs/dbraw/zinc/34/79/65/1022347965.db2.gz ACBUQVVVKAKZOG-UFGOTCBOSA-N 0 3 374.315 2.965 20 5 FFBDHN COc1cc(C(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1O[C@@H]1CN[C@H]1C ZINC001218382996 1033130889 /nfs/dbraw/zinc/13/08/89/1033130889.db2.gz FJUOQAYRILOBQG-YVEFUNNKSA-N 0 3 356.378 2.882 20 5 FFBDHN CC([C@@H](OC(=O)C[C@H]1NC(=O)c2ccccc21)c1ccccc1F)[N+](=O)[O-] ZINC001123018121 1023596511 /nfs/dbraw/zinc/59/65/11/1023596511.db2.gz BKUFRVWTOFGJKI-XNAIMREJSA-N 0 3 372.352 2.950 20 5 FFBDHN CCC[C@H]1CN(c2nnc([C@H](C)[N+](=O)[O-])n2C)CCN1Cc1ccccc1 ZINC001121296130 1023692678 /nfs/dbraw/zinc/69/26/78/1023692678.db2.gz GBJYUWLQWPIVII-RDJZCZTQSA-N 0 3 372.473 2.644 20 5 FFBDHN COc1ccc(NC(=O)NC[C@H]2N(C)CCCC2(C)C)c([N+](=O)[O-])c1 ZINC001123372156 1023765629 /nfs/dbraw/zinc/76/56/29/1023765629.db2.gz LYOJOGZQQIAYLC-OAHLLOKOSA-N 0 3 350.419 2.845 20 5 FFBDHN Cc1ccc([C@@H](CNCc2ccc(C)c([N+](=O)[O-])c2)N2CCOCC2)o1 ZINC000078228056 1023779558 /nfs/dbraw/zinc/77/95/58/1023779558.db2.gz YJVVFIUBNFJYHI-GOSISDBHSA-N 0 3 359.426 2.968 20 5 FFBDHN CCC(CC)(CN[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C(=O)OC ZINC000192704764 1024253057 /nfs/dbraw/zinc/25/30/57/1024253057.db2.gz GNBKWAFAFUXUEU-CYBMUJFWSA-N 0 3 365.430 2.799 20 5 FFBDHN CC(C)(C)OC(=O)NCC[C@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000795222205 1025362190 /nfs/dbraw/zinc/36/21/90/1025362190.db2.gz QNDSNMHSXSSTSK-ZDUSSCGKSA-N 0 3 367.446 2.695 20 5 FFBDHN COc1nc(NC[C@@H](c2ccccc2)N2CCCC2)nc(OC)c1[N+](=O)[O-] ZINC001156531024 1029232673 /nfs/dbraw/zinc/23/26/73/1029232673.db2.gz LYIGPHKCZVIZPW-AWEZNQCLSA-N 0 3 373.413 2.651 20 5 FFBDHN COc1cc(CO[C@H]2CC[C@@H](N3CCOCC3)CC2)cc([N+](=O)[O-])c1 ZINC001223394848 1033424772 /nfs/dbraw/zinc/42/47/72/1033424772.db2.gz ZYOBNMQTCCQJBW-WOVMCDHWSA-N 0 3 350.415 2.763 20 5 FFBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000831563143 1034125656 /nfs/dbraw/zinc/12/56/56/1034125656.db2.gz KTBWLYMTUQILBV-MRVWCRGKSA-N 0 3 371.359 2.998 20 5 FFBDHN CN1CCC[C@@H](Oc2ccc(I)c([N+](=O)[O-])c2)C1 ZINC001229945647 1036991973 /nfs/dbraw/zinc/99/19/73/1036991973.db2.gz ALWQDMLMGWKMSV-SNVBAGLBSA-N 0 3 362.167 2.672 20 5 FFBDHN CN1CCC(N)(c2nc(-c3ccc4ccc5cccnc5c4n3)no2)CC1 ZINC001249126608 1040593782 /nfs/dbraw/zinc/59/37/82/1040593782.db2.gz DITLDYPIBZSGNT-UHFFFAOYSA-N 0 3 360.421 2.713 20 5 FFBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1cc(OC2CCOCC2)ncn1 ZINC001254544140 1040790935 /nfs/dbraw/zinc/79/09/35/1040790935.db2.gz HUCXPCUAWIZICD-AWEZNQCLSA-N 0 3 372.425 2.663 20 5 FFBDHN CC(C)N(C)Cc1nn([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c2c1CCNC2 ZINC001254598771 1040829932 /nfs/dbraw/zinc/82/99/32/1040829932.db2.gz XIYMGJHEUDEDQK-KRWDZBQOSA-N 0 3 369.469 2.617 20 5 FFBDHN Cc1cnc(O[C@@H]2CCCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)nc1 ZINC001254605325 1040834623 /nfs/dbraw/zinc/83/46/23/1040834623.db2.gz BERONEIKSAGBBT-QZTJIDSGSA-N 0 3 354.410 2.704 20 5 FFBDHN COc1ccnc(O[C@@H]2CCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)c1 ZINC001254610262 1040840093 /nfs/dbraw/zinc/84/00/93/1040840093.db2.gz ISFVKYTZZQJOTJ-SJLPKXTDSA-N 0 3 355.394 2.619 20 5 FFBDHN O=[N+]([O-])c1cc(F)c(F)cc1-c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001216044101 1041937394 /nfs/dbraw/zinc/93/73/94/1041937394.db2.gz VOROPSQDJGIAHP-UHFFFAOYSA-N 0 3 359.292 2.631 20 5 FFBDHN O=[N+]([O-])c1cc(F)c(-c2nc(-c3ccc4c(n3)CCNC4)no2)cc1F ZINC001216190459 1041973958 /nfs/dbraw/zinc/97/39/58/1041973958.db2.gz WOBIVLBRMODBPL-UHFFFAOYSA-N 0 3 359.292 2.631 20 5 FFBDHN COc1ccc([C@H](CNc2c(C)cncc2[N+](=O)[O-])N2CCCC2)cc1 ZINC001323059520 1046326861 /nfs/dbraw/zinc/32/68/61/1046326861.db2.gz MOSHMLZQQPJJMT-KRWDZBQOSA-N 0 3 356.426 2.978 20 5 FFBDHN CC(C)CCSc1ccc(C(=O)NOCCN(C)C)cc1[N+](=O)[O-] ZINC001330819765 1049345673 /nfs/dbraw/zinc/34/56/73/1049345673.db2.gz MZGNVOPFVWSJLV-UHFFFAOYSA-N 0 3 355.460 2.956 20 5 FFBDHN CN1CCC(N(Cc2ccccc2)C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001294102377 1049686645 /nfs/dbraw/zinc/68/66/45/1049686645.db2.gz RWLLRFUUIIDEIT-UHFFFAOYSA-N 0 3 368.437 2.914 20 5 FFBDHN CS[C@H]1CN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC001295851281 1049991387 /nfs/dbraw/zinc/99/13/87/1049991387.db2.gz FCWQFHDVSGCQFE-GJZGRUSLSA-N 0 3 371.890 2.685 20 5 FFBDHN Cn1c([C@H]2CCCN(C)C2)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001340007459 1050419299 /nfs/dbraw/zinc/41/92/99/1050419299.db2.gz JGZNIDNFYZNZRO-HNNXBMFYSA-N 0 3 370.457 2.702 20 5 FFBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC001343003608 1051620443 /nfs/dbraw/zinc/62/04/43/1051620443.db2.gz XPZIXRHBRPDCEL-MSOLQXFVSA-N 0 3 360.458 2.796 20 5 FFBDHN CC(=O)NC1CCC(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])CC1 ZINC001345232850 1052332985 /nfs/dbraw/zinc/33/29/85/1052332985.db2.gz JLVWYGGAGZBZQI-JQLKTRHNSA-N 0 3 366.389 2.770 20 5 FFBDHN COc1ccc([C@@H]2CN(CCOc3cccc([N+](=O)[O-])c3)CCN2)cc1 ZINC001308012324 1052383066 /nfs/dbraw/zinc/38/30/66/1052383066.db2.gz AYVOZBMTFUPIEG-IBGZPJMESA-N 0 3 357.410 2.629 20 5 FFBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCCN1C ZINC001339263506 1056267628 /nfs/dbraw/zinc/26/76/28/1056267628.db2.gz GTUHXCGXRPJCAE-AWEZNQCLSA-N 0 3 367.471 2.547 20 5 FFBDHN C[C@@H](COC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCCC1 ZINC000847958865 1058516414 /nfs/dbraw/zinc/51/64/14/1058516414.db2.gz DLPOISXGTSAISF-AWEZNQCLSA-N 0 3 358.398 2.812 20 5 FFBDHN CCOC(=O)[C@@H]1CC[C@@H]1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC001515769429 1059787049 /nfs/dbraw/zinc/78/70/49/1059787049.db2.gz VVLINAYNLMOSFL-FJJYHAOUSA-N 0 3 353.346 2.665 20 5 FFBDHN O=C(CCN1CCC(c2ncccn2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC001460805456 1061110474 /nfs/dbraw/zinc/11/04/74/1061110474.db2.gz IIAJEMONHWDQJQ-UHFFFAOYSA-N 0 3 373.388 2.732 20 5 FFBDHN COC(=O)C[C@@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)C ZINC001460829331 1061118998 /nfs/dbraw/zinc/11/89/98/1061118998.db2.gz BWHHNEAWOYWLJZ-CYBMUJFWSA-N 0 3 371.821 2.754 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCOC12CCCCC2 ZINC001460892256 1061141555 /nfs/dbraw/zinc/14/15/55/1061141555.db2.gz UKXUYAQDQFGDPR-MRXNPFEDSA-N 0 3 363.414 2.623 20 5 FFBDHN COCC[C@@H](CNCc1ccc(C)c([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC001461699579 1061383407 /nfs/dbraw/zinc/38/34/07/1061383407.db2.gz XSCFIDUSKQSSIH-HNNXBMFYSA-N 0 3 367.446 2.923 20 5 FFBDHN CC(C)(C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CCCCC1 ZINC001463702711 1062217099 /nfs/dbraw/zinc/21/70/99/1062217099.db2.gz MRGMNOYGYLONGG-UHFFFAOYSA-N 0 3 360.458 2.508 20 5 FFBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@@H](Cn2ccnc2)c2ccccc2)cc1 ZINC001473748185 1065344271 /nfs/dbraw/zinc/34/42/71/1065344271.db2.gz WLJZDVREEMSSNX-OALUTQOASA-N 0 3 352.394 2.856 20 5 FFBDHN Cc1ccc([C@@H](CNCc2cccc([N+](=O)[O-])c2C)N2CCOCC2)o1 ZINC001473918336 1065418081 /nfs/dbraw/zinc/41/80/81/1065418081.db2.gz QEYOTKWXHXXXSU-GOSISDBHSA-N 0 3 359.426 2.968 20 5 FFBDHN C[C@H]1CN(C2CC2)C[C@H]1NCc1c(Br)cccc1[N+](=O)[O-] ZINC001474060808 1065448955 /nfs/dbraw/zinc/44/89/55/1065448955.db2.gz BJPMDCKOBHMODW-IINYFYTJSA-N 0 3 354.248 2.930 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CN[C@H](CO)[C@@H]2CCOC2)o1 ZINC001474094917 1065455045 /nfs/dbraw/zinc/45/50/45/1065455045.db2.gz ZZUFOIFFZQMMCB-IAQYHMDHSA-N 0 3 366.801 2.995 20 5 FFBDHN C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)CN1Cc1ccccc1 ZINC001566338701 1076948028 /nfs/dbraw/zinc/94/80/28/1076948028.db2.gz QCLCYRVGQOFNFO-HIFRSBDPSA-N 0 3 354.410 2.570 20 5 FFBDHN CC(C)([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC001589321787 1080481994 /nfs/dbraw/zinc/48/19/94/1080481994.db2.gz PXZAPUPQFGLCDO-UHFFFAOYSA-N 0 3 368.397 2.679 20 5 FFBDHN CC(C)([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC001589321787 1080481997 /nfs/dbraw/zinc/48/19/97/1080481997.db2.gz PXZAPUPQFGLCDO-UHFFFAOYSA-N 0 3 368.397 2.679 20 5 FFBDHN C[C@@H](c1cccc(-c2nnn[n-]2)c1)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001590043549 1080969875 /nfs/dbraw/zinc/96/98/75/1080969875.db2.gz OTQAGNNWJNGXFB-YVEFUNNKSA-N 0 3 368.397 2.501 20 5 FFBDHN C[C@@H](c1cccc(-c2nnn[n-]2)c1)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001590043549 1080969879 /nfs/dbraw/zinc/96/98/79/1080969879.db2.gz OTQAGNNWJNGXFB-YVEFUNNKSA-N 0 3 368.397 2.501 20 5 FFBDHN C[C@@H](c1cccc(-c2nn[n-]n2)c1)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001590043549 1080969883 /nfs/dbraw/zinc/96/98/83/1080969883.db2.gz OTQAGNNWJNGXFB-YVEFUNNKSA-N 0 3 368.397 2.501 20 5 FFBDHN C[C@@H](c1cccc(-c2nn[n-]n2)c1)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001590043549 1080969886 /nfs/dbraw/zinc/96/98/86/1080969886.db2.gz OTQAGNNWJNGXFB-YVEFUNNKSA-N 0 3 368.397 2.501 20 5 FFBDHN C[C@H]1C[C@H](C)C[NH+](CCCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001590189957 1081079525 /nfs/dbraw/zinc/07/95/25/1081079525.db2.gz YAGNRZJZGSDGTN-STQMWFEESA-N 0 3 359.434 2.555 20 5 FFBDHN C[C@H]1C[C@H](C)C[NH+](CCCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001590189957 1081079533 /nfs/dbraw/zinc/07/95/33/1081079533.db2.gz YAGNRZJZGSDGTN-STQMWFEESA-N 0 3 359.434 2.555 20 5 FFBDHN CC(C)[C@@H](CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC001590268921 1081133581 /nfs/dbraw/zinc/13/35/81/1081133581.db2.gz GZCGBTKJEVNAPV-QGZVFWFLSA-N 0 3 373.461 2.943 20 5 FFBDHN CC(C)[C@@H](CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC001590268921 1081133583 /nfs/dbraw/zinc/13/35/83/1081133583.db2.gz GZCGBTKJEVNAPV-QGZVFWFLSA-N 0 3 373.461 2.943 20 5 FFBDHN C[NH+](C)CCCC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000451904156 514057536 /nfs/dbraw/zinc/05/75/36/514057536.db2.gz JQNIJDXKBMVXST-UHFFFAOYSA-N 0 3 363.867 2.647 20 5 FFBDHN CCOC(=O)[C@H]1CCCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000026218870 249341392 /nfs/dbraw/zinc/34/13/92/249341392.db2.gz ODJKTBUQEIRPCK-AWEZNQCLSA-N 0 3 363.414 2.507 20 5 FFBDHN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NC3CCN(C)CC3)cc2[N+](=O)[O-])C1 ZINC000031224312 249360612 /nfs/dbraw/zinc/36/06/12/249360612.db2.gz CVWIADLKRGMWBQ-GJZGRUSLSA-N 0 3 374.485 2.901 20 5 FFBDHN CN(CC1CCN(C)CC1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000103453735 250150394 /nfs/dbraw/zinc/15/03/94/250150394.db2.gz DECKSCMCJQKWEU-UHFFFAOYSA-N 0 3 360.458 2.609 20 5 FFBDHN Cc1c(C(=O)N(C)CC2CCN(C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000103450846 250151488 /nfs/dbraw/zinc/15/14/88/250151488.db2.gz MHSQCRYKCRKPOT-UHFFFAOYSA-N 0 3 364.402 2.534 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCN(C3CCCC3)C2)cc1C ZINC000106891195 250295959 /nfs/dbraw/zinc/29/59/59/250295959.db2.gz JXMMKJSWBRFXBN-AWEZNQCLSA-N 0 3 367.471 2.507 20 5 FFBDHN CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCC[C@@H]1O ZINC000181098989 251241463 /nfs/dbraw/zinc/24/14/63/251241463.db2.gz GWYQKHAXGFFSRA-YJBOKZPZSA-N 0 3 358.442 2.978 20 5 FFBDHN O=C(CCN1CCSC2(CCOCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000186811752 251266913 /nfs/dbraw/zinc/26/69/13/251266913.db2.gz KVCLVESFSCERCP-UHFFFAOYSA-N 0 3 365.455 2.521 20 5 FFBDHN CN1CC[C@H]2CCN(C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272637981 252088425 /nfs/dbraw/zinc/08/84/25/252088425.db2.gz XXZFFXKZMQFLEP-FUHWJXTLSA-N 0 3 360.458 2.653 20 5 FFBDHN CS[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H]1N1CCCC1 ZINC000273458051 252309746 /nfs/dbraw/zinc/30/97/46/252309746.db2.gz DWOGRQIHSINWGD-IAGOWNOFSA-N 0 3 363.483 2.566 20 5 FFBDHN Cc1c([C@@H](C)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)cccc1[N+](=O)[O-] ZINC000285751429 257002893 /nfs/dbraw/zinc/00/28/93/257002893.db2.gz RZQUCQZSNKKBGC-ZIAGYGMSSA-N 0 3 367.471 2.510 20 5 FFBDHN COCCCN1CCC(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000276505055 256106017 /nfs/dbraw/zinc/10/60/17/256106017.db2.gz AIKJIGLKSISYGG-UHFFFAOYSA-N 0 3 369.849 2.787 20 5 FFBDHN COc1cc(NCCCN2CCCO[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000278179556 256285123 /nfs/dbraw/zinc/28/51/23/256285123.db2.gz PNFZDZFDGUKKAT-CYBMUJFWSA-N 0 3 353.419 2.525 20 5 FFBDHN Cc1c(NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000278570365 256326747 /nfs/dbraw/zinc/32/67/47/256326747.db2.gz WSIKDRWYLGUEIK-ZDUSSCGKSA-N 0 3 362.430 2.620 20 5 FFBDHN O=[N+]([O-])c1ccc(CN2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000278900835 256359936 /nfs/dbraw/zinc/35/99/36/256359936.db2.gz QYVDCTQBACVIFR-CYBMUJFWSA-N 0 3 372.385 2.878 20 5 FFBDHN O=[N+]([O-])c1ccc(CN2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c([N+](=O)[O-])c1 ZINC000278900835 256359937 /nfs/dbraw/zinc/35/99/37/256359937.db2.gz QYVDCTQBACVIFR-CYBMUJFWSA-N 0 3 372.385 2.878 20 5 FFBDHN CN(CC1CCN(C)CC1)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000280627023 256542649 /nfs/dbraw/zinc/54/26/49/256542649.db2.gz LKOLJMZXNUWCGS-UHFFFAOYSA-N 0 3 357.813 2.730 20 5 FFBDHN Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000288355667 257179011 /nfs/dbraw/zinc/17/90/11/257179011.db2.gz WIUIJOAFPPHACD-GXTWGEPZSA-N 0 3 362.386 2.510 20 5 FFBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000288680380 257217839 /nfs/dbraw/zinc/21/78/39/257217839.db2.gz CRJXSCPJMDHXTE-VQTJNVASSA-N 0 3 374.412 2.694 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H](c2ccncc2)C1 ZINC000289346542 257275631 /nfs/dbraw/zinc/27/56/31/257275631.db2.gz MNSBGCTWCYPPMI-IRXDYDNUSA-N 0 3 357.410 2.609 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(Cc2noc(C3CCN(C4CC4)CC3)n2)c1 ZINC000289187347 257264662 /nfs/dbraw/zinc/26/46/62/257264662.db2.gz WXTZQWTXUHFQGJ-UHFFFAOYSA-N 0 3 358.398 2.919 20 5 FFBDHN CC1(C)CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H]1[C@@H]1CCCO1 ZINC000289969475 257309360 /nfs/dbraw/zinc/30/93/60/257309360.db2.gz XELNISAFCGOFOM-RDJZCZTQSA-N 0 3 365.405 2.952 20 5 FFBDHN CC(C)S(=O)(=O)CCN[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000290520159 257338289 /nfs/dbraw/zinc/33/82/89/257338289.db2.gz YXQDMBXEUVIRID-GDBMZVCRSA-N 0 3 354.472 2.719 20 5 FFBDHN COCCN1CCC[C@@H]1CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000301160057 258030050 /nfs/dbraw/zinc/03/00/50/258030050.db2.gz OWJLRWZUJCSCLN-GFCCVEGCSA-N 0 3 358.236 2.880 20 5 FFBDHN Cc1n[nH]c(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000299528922 258002035 /nfs/dbraw/zinc/00/20/35/258002035.db2.gz KZZVIHDAZNLOMC-MRXNPFEDSA-N 0 3 371.441 2.829 20 5 FFBDHN Cc1c(NC(=O)CCN2CC[C@H](C(C)(C)C)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000330703348 258168719 /nfs/dbraw/zinc/16/87/19/258168719.db2.gz JBJJVTWLFBESQT-WMLDXEAASA-N 0 3 363.458 2.961 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H]2CCCCN2C[C@H]1C ZINC000332007022 258209719 /nfs/dbraw/zinc/20/97/19/258209719.db2.gz JJQONTLPJIUVJF-WBVHZDCISA-N 0 3 360.458 2.790 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000377184168 512156190 /nfs/dbraw/zinc/15/61/90/512156190.db2.gz XLNIEDJFYGVBKO-UHFFFAOYSA-N 0 3 372.429 2.741 20 5 FFBDHN CN(CCCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000032766007 506291977 /nfs/dbraw/zinc/29/19/77/506291977.db2.gz PYJJHPNTKLPHRY-UHFFFAOYSA-N 0 3 367.409 2.723 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCN1C ZINC000334078886 511450410 /nfs/dbraw/zinc/45/04/10/511450410.db2.gz MMJKRWIVJOJQHL-ONGXEEELSA-N 0 3 356.220 2.570 20 5 FFBDHN Cc1nn(C)c(NC2CC(N3CCC(C(F)(F)F)CC3)C2)c1[N+](=O)[O-] ZINC000366858166 512221173 /nfs/dbraw/zinc/22/11/73/512221173.db2.gz NLJGAIAOCLHBQX-UHFFFAOYSA-N 0 3 361.368 2.854 20 5 FFBDHN CN(C)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c1 ZINC000066304237 506475292 /nfs/dbraw/zinc/47/52/92/506475292.db2.gz UVMODVJOBDQORE-UHFFFAOYSA-N 0 3 357.366 2.680 20 5 FFBDHN CCN1CCN(Cc2ccccc2CNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000041621017 506536938 /nfs/dbraw/zinc/53/69/38/506536938.db2.gz KBBXIEOLAPRWKG-UHFFFAOYSA-N 0 3 355.442 2.739 20 5 FFBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000056168278 506952892 /nfs/dbraw/zinc/95/28/92/506952892.db2.gz LMBOFUVLFJHPMG-DOMZBBRYSA-N 0 3 372.400 2.881 20 5 FFBDHN COc1ccc(CC(=O)N(CCN(C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000067821663 507017386 /nfs/dbraw/zinc/01/73/86/507017386.db2.gz OPTLUFXYVDDWKJ-UHFFFAOYSA-N 0 3 357.410 2.741 20 5 FFBDHN CN(C)Cc1cccc(CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000046926375 507224407 /nfs/dbraw/zinc/22/44/07/507224407.db2.gz QRJHYQYOOSUUFN-UHFFFAOYSA-N 0 3 356.426 2.998 20 5 FFBDHN CCOc1cc(C(=O)N2CCCN(C(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000068782655 507321246 /nfs/dbraw/zinc/32/12/46/507321246.db2.gz MGJNMOXOBKEMBH-UHFFFAOYSA-N 0 3 365.430 2.558 20 5 FFBDHN CCCCN1CCC(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC1 ZINC000068902713 507355922 /nfs/dbraw/zinc/35/59/22/507355922.db2.gz XGIRNWMGBZLOJK-UHFFFAOYSA-N 0 3 369.487 2.754 20 5 FFBDHN O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H](c1ccccc1)N1CCCC1 ZINC000023738358 507370012 /nfs/dbraw/zinc/37/00/12/507370012.db2.gz IBCWHDWPQHVFSS-SFHVURJKSA-N 0 3 369.421 2.927 20 5 FFBDHN CC(C)N1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000069084150 507401589 /nfs/dbraw/zinc/40/15/89/507401589.db2.gz COFKZFJDOPDJBA-UHFFFAOYSA-N 0 3 354.838 2.603 20 5 FFBDHN Nc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000048244511 507488336 /nfs/dbraw/zinc/48/83/36/507488336.db2.gz BDLLTUGHXNXMFK-UHFFFAOYSA-N 0 3 372.400 2.711 20 5 FFBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc2c(c1)OCO2 ZINC000026257807 507572693 /nfs/dbraw/zinc/57/26/93/507572693.db2.gz NXLCTSIFXOXKNX-UHFFFAOYSA-N 0 3 357.366 2.784 20 5 FFBDHN O=C(CC1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1)N1CCCC1 ZINC000061048101 507593727 /nfs/dbraw/zinc/59/37/27/507593727.db2.gz HXLOZYMIFOFGSN-UHFFFAOYSA-N 0 3 361.442 2.698 20 5 FFBDHN O=[N+]([O-])c1cc(Br)cnc1N1CC[C@H](N2CCCCC2)C1 ZINC000062984530 507690162 /nfs/dbraw/zinc/69/01/62/507690162.db2.gz VMTATPMSQCSXSX-LBPRGKRZSA-N 0 3 355.236 2.817 20 5 FFBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C1CC[NH+](CC2CCCC2)CC1 ZINC000063311321 507717561 /nfs/dbraw/zinc/71/75/61/507717561.db2.gz UOXWQMXMOBSZET-UHFFFAOYSA-N 0 3 367.471 2.528 20 5 FFBDHN COc1cc(CN2CCN(CC3CC3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000052165272 507799632 /nfs/dbraw/zinc/79/96/32/507799632.db2.gz VEQNCMFDGMJFGH-UHFFFAOYSA-N 0 3 371.384 2.732 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2noc(CN3CCN(C4CCCC4)CC3)n2)cc1 ZINC000052556885 507813792 /nfs/dbraw/zinc/81/37/92/507813792.db2.gz PXPUCEXYVPCELN-UHFFFAOYSA-N 0 3 357.414 2.705 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]1CN1CCCCC1 ZINC000072603515 507829818 /nfs/dbraw/zinc/82/98/18/507829818.db2.gz MTDNLYTUFPOFIW-QGZVFWFLSA-N 0 3 360.458 2.792 20 5 FFBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000072630429 507834061 /nfs/dbraw/zinc/83/40/61/507834061.db2.gz DXKGPXUIMHFQFC-INIZCTEOSA-N 0 3 374.485 2.532 20 5 FFBDHN O=[N+]([O-])c1cc(I)ccc1NCCN1CCCC1 ZINC000107807587 507867837 /nfs/dbraw/zinc/86/78/37/507867837.db2.gz PMGOLWJCKSPSPV-UHFFFAOYSA-N 0 3 361.183 2.707 20 5 FFBDHN Cc1ccc([C@@H](C)NC(=O)Nc2ccn(CCN(C)C)n2)cc1[N+](=O)[O-] ZINC000078621224 507890315 /nfs/dbraw/zinc/89/03/15/507890315.db2.gz NTTHBLRQHXBOME-CYBMUJFWSA-N 0 3 360.418 2.544 20 5 FFBDHN CCCO[C@@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000108391995 507892343 /nfs/dbraw/zinc/89/23/43/507892343.db2.gz PPTVIXQMGCUHAG-DLBZAZTESA-N 0 3 352.431 2.616 20 5 FFBDHN C[C@@H](CN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000090091924 507908493 /nfs/dbraw/zinc/90/84/93/507908493.db2.gz LPBNXAGRTLMXIJ-HNNXBMFYSA-N 0 3 355.442 2.705 20 5 FFBDHN O=C(NCC1CCN(c2ccncc2)CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000090145835 507910785 /nfs/dbraw/zinc/91/07/85/507910785.db2.gz YHXPBLKYUAMSST-UHFFFAOYSA-N 0 3 358.373 2.775 20 5 FFBDHN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@H](N2CCCC2)C1 ZINC000079942592 508017610 /nfs/dbraw/zinc/01/76/10/508017610.db2.gz PJLKQGHNIGKECC-LBPRGKRZSA-N 0 3 357.332 2.924 20 5 FFBDHN CC[C@H](C)N(C)CCNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000111050079 508067188 /nfs/dbraw/zinc/06/71/88/508067188.db2.gz MLMFFSKUKUWACM-JTQLQIEISA-N 0 3 363.867 2.565 20 5 FFBDHN CCOc1cc(NC[C@@H](C)CN2CCN(CC)CC2)ccc1[N+](=O)[O-] ZINC000092612735 508086881 /nfs/dbraw/zinc/08/68/81/508086881.db2.gz UHPAJISVBKMPFO-OAHLLOKOSA-N 0 3 350.463 2.679 20 5 FFBDHN C[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000111461198 508101574 /nfs/dbraw/zinc/10/15/74/508101574.db2.gz IHHFMERRNHIRLF-HNNXBMFYSA-N 0 3 356.426 2.915 20 5 FFBDHN O=C(NCc1cccc([N+](=O)[O-])c1)NCC1CCN(c2ccncc2)CC1 ZINC000093122378 508121613 /nfs/dbraw/zinc/12/16/13/508121613.db2.gz QECGABPITMYFKY-UHFFFAOYSA-N 0 3 369.425 2.706 20 5 FFBDHN CN1CC[C@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000377654655 512380092 /nfs/dbraw/zinc/38/00/92/512380092.db2.gz RMBZFZYEHPOJDX-LPHOPBHVSA-N 0 3 372.400 2.707 20 5 FFBDHN CC(C)[NH+](CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000081186582 508146614 /nfs/dbraw/zinc/14/66/14/508146614.db2.gz JGGMTDNZZSCGDZ-UHFFFAOYSA-N 0 3 361.439 2.521 20 5 FFBDHN CCCCN(C)CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000112309207 508172779 /nfs/dbraw/zinc/17/27/79/508172779.db2.gz FRBWXIFIYGIWNZ-UHFFFAOYSA-N 0 3 362.474 2.659 20 5 FFBDHN CN(C)C[C@H]1CCCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000104412483 508334475 /nfs/dbraw/zinc/33/44/75/508334475.db2.gz HTOQBXKCJYDADB-QGZVFWFLSA-N 0 3 374.485 2.754 20 5 FFBDHN CN(C)CCOc1ccccc1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087219467 508343202 /nfs/dbraw/zinc/34/32/02/508343202.db2.gz KBCZLFVKWAJSFP-UHFFFAOYSA-N 0 3 371.437 2.784 20 5 FFBDHN Cc1c(CC(=O)N2C[C@H](N(C)C)Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000121988254 508462862 /nfs/dbraw/zinc/46/28/62/508462862.db2.gz MQDAJSCUVKHHPB-QGZVFWFLSA-N 0 3 353.422 2.965 20 5 FFBDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000153080754 508546331 /nfs/dbraw/zinc/54/63/31/508546331.db2.gz KWOPLGVNBGEECO-UHFFFAOYSA-N 0 3 356.426 2.817 20 5 FFBDHN COc1ccc(OCCN(C)CCc2ncc(C)s2)c([N+](=O)[O-])c1 ZINC000157307967 508550427 /nfs/dbraw/zinc/55/04/27/508550427.db2.gz LFYQFFWTDZHCCR-UHFFFAOYSA-N 0 3 351.428 2.922 20 5 FFBDHN CCN1CCC(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116718173 508550489 /nfs/dbraw/zinc/55/04/89/508550489.db2.gz KHAXHZWODBIJKT-UHFFFAOYSA-N 0 3 355.822 2.618 20 5 FFBDHN O=[N+]([O-])c1cnn(CCN2CCCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000157543905 508578797 /nfs/dbraw/zinc/57/87/97/508578797.db2.gz OBJBMDBWDSTSFX-UHFFFAOYSA-N 0 3 363.849 2.653 20 5 FFBDHN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000153825291 508656918 /nfs/dbraw/zinc/65/69/18/508656918.db2.gz WTLIIOIYQAAPKG-KYJSFNMBSA-N 0 3 363.458 2.645 20 5 FFBDHN CCOc1cc(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000123350268 508673516 /nfs/dbraw/zinc/67/35/16/508673516.db2.gz ZCGNFKRNIRLLIY-CHWSQXEVSA-N 0 3 365.430 2.557 20 5 FFBDHN Cn1cc(CN(CCO)Cc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000158289273 508683533 /nfs/dbraw/zinc/68/35/33/508683533.db2.gz BJLQLFGDWMARTA-UHFFFAOYSA-N 0 3 366.421 2.990 20 5 FFBDHN C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2Br)CCN1C ZINC000124338187 508817583 /nfs/dbraw/zinc/81/75/83/508817583.db2.gz AZAPCUJLYPDRHG-QWRGUYRKSA-N 0 3 370.247 2.912 20 5 FFBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(C2CCCCC2)CC1 ZINC000141865575 508819709 /nfs/dbraw/zinc/81/97/09/508819709.db2.gz ODKUKHUZIWCBGV-HNNXBMFYSA-N 0 3 360.458 2.872 20 5 FFBDHN COc1ccc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000119619976 508830516 /nfs/dbraw/zinc/83/05/16/508830516.db2.gz SXODRSZEHVVRLM-YOEHRIQHSA-N 0 3 369.421 2.854 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000119841236 508874275 /nfs/dbraw/zinc/87/42/75/508874275.db2.gz RPWNZFGHIWXNIO-KSSFIOAISA-N 0 3 369.421 2.854 20 5 FFBDHN CN(C)CCn1ccc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000120030541 508914011 /nfs/dbraw/zinc/91/40/11/508914011.db2.gz OXYMZTOJEBISDM-UHFFFAOYSA-N 0 3 359.430 2.903 20 5 FFBDHN CN(C[C@H]1CCCN(C)C1)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000120871431 509080184 /nfs/dbraw/zinc/08/01/84/509080184.db2.gz AGYJGDZJJFFLBK-KRWDZBQOSA-N 0 3 362.474 2.901 20 5 FFBDHN CN(C)C[C@@](C)(O)CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000133048424 509108536 /nfs/dbraw/zinc/10/85/36/509108536.db2.gz LAFLCDNDAUWDRA-IBGZPJMESA-N 0 3 357.410 2.550 20 5 FFBDHN CN1CCC(N(Cc2ccco2)C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000172731406 509201672 /nfs/dbraw/zinc/20/16/72/509201672.db2.gz SNPBCSZAWURKJA-UHFFFAOYSA-N 0 3 357.410 2.853 20 5 FFBDHN COc1cccc(CN(CCN(C)C)C(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000191951412 509261189 /nfs/dbraw/zinc/26/11/89/509261189.db2.gz WZPADZODQGUWMJ-UHFFFAOYSA-N 0 3 371.437 2.736 20 5 FFBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192021921 509302699 /nfs/dbraw/zinc/30/26/99/509302699.db2.gz WSHBVFHPSTZQQF-DOTOQJQBSA-N 0 3 363.801 2.530 20 5 FFBDHN CC1CCN(CCSc2nc3cc([N+](=O)[O-])ccc3c(=O)n2C)CC1 ZINC000185766985 509346414 /nfs/dbraw/zinc/34/64/14/509346414.db2.gz KJWHCRSYPFUERQ-UHFFFAOYSA-N 0 3 362.455 2.666 20 5 FFBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCN1Cc1ccccc1 ZINC000173039635 509363878 /nfs/dbraw/zinc/36/38/78/509363878.db2.gz OQJUMHSJCMDTKG-LJQANCHMSA-N 0 3 353.422 2.918 20 5 FFBDHN CC(C)C[C@H](CN)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000236584134 509460913 /nfs/dbraw/zinc/46/09/13/509460913.db2.gz XETBVPNFISWJBU-OAHLLOKOSA-N 0 3 351.450 2.644 20 5 FFBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])CCN1C ZINC000267428319 509476452 /nfs/dbraw/zinc/47/64/52/509476452.db2.gz CCYFAPWRIXRXOA-PWSUYJOCSA-N 0 3 370.247 2.912 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c1 ZINC000248778353 509482365 /nfs/dbraw/zinc/48/23/65/509482365.db2.gz HUBOQGXXFKTORG-RDTXWAMCSA-N 0 3 369.421 2.854 20 5 FFBDHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CCN(CC)C[C@@H]1C ZINC000173256878 509484230 /nfs/dbraw/zinc/48/42/30/509484230.db2.gz GVPRHDCWBZJQQA-XJKSGUPXSA-N 0 3 369.487 2.508 20 5 FFBDHN CC(C)c1ccc([C@@H](N)CNC(=O)CNc2ccccc2[N+](=O)[O-])cc1 ZINC000236716767 509489658 /nfs/dbraw/zinc/48/96/58/509489658.db2.gz BEYNXMOJINKBJR-INIZCTEOSA-N 0 3 356.426 2.946 20 5 FFBDHN CCCC[C@@H](CN)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000236830795 509512716 /nfs/dbraw/zinc/51/27/16/509512716.db2.gz KTRGGWNXVATTGW-HNNXBMFYSA-N 0 3 351.450 2.788 20 5 FFBDHN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000183029241 509556233 /nfs/dbraw/zinc/55/62/33/509556233.db2.gz CLVYCIKZBKRTBV-ZIAGYGMSSA-N 0 3 367.471 2.526 20 5 FFBDHN C[C@@H](NCc1cccc(C(=O)NCCN(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000173377989 509561491 /nfs/dbraw/zinc/56/14/91/509561491.db2.gz GOVCWHQQABPWKV-OAHLLOKOSA-N 0 3 370.453 2.737 20 5 FFBDHN C[C@@H](NC[C@@H](O)COc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000173394669 509571426 /nfs/dbraw/zinc/57/14/26/509571426.db2.gz RJLKAFTYHSLZNY-BXUZGUMPSA-N 0 3 352.337 2.964 20 5 FFBDHN COc1cc(CNC[C@H](O)C(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237152455 509583799 /nfs/dbraw/zinc/58/37/99/509583799.db2.gz MDBURJHEVZBCMV-LBPRGKRZSA-N 0 3 366.336 2.651 20 5 FFBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000183148637 509626423 /nfs/dbraw/zinc/62/64/23/509626423.db2.gz VNGNHSFYCKZVFJ-RISCZKNCSA-N 0 3 369.368 2.753 20 5 FFBDHN CC(C)C[C@@H]1OCCC[C@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000186341291 509659499 /nfs/dbraw/zinc/65/94/99/509659499.db2.gz GJSAUCOYSDGTHT-AEFFLSMTSA-N 0 3 361.442 2.667 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000249802594 509766956 /nfs/dbraw/zinc/76/69/56/509766956.db2.gz ZNYXUAWRUPAZGT-OLZOCXBDSA-N 0 3 350.419 2.845 20 5 FFBDHN COCCNC(=O)[C@H](CC(C)C)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193104012 509780179 /nfs/dbraw/zinc/78/01/79/509780179.db2.gz ZLNSMWTWIQLXHH-ROUUACIJSA-N 0 3 363.458 2.739 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000193585196 509977975 /nfs/dbraw/zinc/97/79/75/509977975.db2.gz RKSIJNZFSDSPTI-CQSZACIVSA-N 0 3 357.414 2.835 20 5 FFBDHN COC(=O)c1cnc(NC[C@@H](c2ccc(F)cc2)N(C)C)c([N+](=O)[O-])c1 ZINC000190169195 509983431 /nfs/dbraw/zinc/98/34/31/509983431.db2.gz YKSIGUSHERBJBV-HNNXBMFYSA-N 0 3 362.361 2.630 20 5 FFBDHN CCc1ccc([C@H]2CNCCN2CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000261708842 510036050 /nfs/dbraw/zinc/03/60/50/510036050.db2.gz KEZGNPPBCRQNFL-LJQANCHMSA-N 0 3 368.437 2.742 20 5 FFBDHN Cc1[n-]nc(C(=O)Nc2ccc(OCC[NH+]3CCCC3)c(C)c2)c1[N+](=O)[O-] ZINC000265524100 510099523 /nfs/dbraw/zinc/09/95/23/510099523.db2.gz MMBOSPCILXLDRP-UHFFFAOYSA-N 0 3 373.413 2.662 20 5 FFBDHN CNS(=O)(=O)CCN[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000187176613 510103490 /nfs/dbraw/zinc/10/34/90/510103490.db2.gz JVVJFLURMBEALB-LLVKDONJSA-N 0 3 369.468 2.523 20 5 FFBDHN CC(C)N(CCN(C)C)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000190471033 510151097 /nfs/dbraw/zinc/15/10/97/510151097.db2.gz NWVVSGAFOKQFIE-UHFFFAOYSA-N 0 3 358.236 2.770 20 5 FFBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000245874009 510180405 /nfs/dbraw/zinc/18/04/05/510180405.db2.gz AIGUOKOHBCUSGD-ZWNOBZJWSA-N 0 3 357.357 2.608 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000246079803 510279656 /nfs/dbraw/zinc/27/96/56/510279656.db2.gz FCCWKYZBYJTYPT-DJIMGWMZSA-N 0 3 352.456 2.695 20 5 FFBDHN COc1cc(CN[C@@H](CC(N)=O)C2CCCCC2)c([N+](=O)[O-])cc1F ZINC000184405652 510309054 /nfs/dbraw/zinc/30/90/54/510309054.db2.gz KCQXCTYQIGENRC-AWEZNQCLSA-N 0 3 353.394 2.656 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000177960458 510347634 /nfs/dbraw/zinc/34/76/34/510347634.db2.gz DMDUDFRNYORHJY-FRQCXROJSA-N 0 3 372.469 2.648 20 5 FFBDHN Cc1ccc([C@@H](C)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000178006717 510371410 /nfs/dbraw/zinc/37/14/10/510371410.db2.gz KXIHXPQUPBORGG-CQSZACIVSA-N 0 3 363.439 2.532 20 5 FFBDHN C[C@@H]1[C@H](C)NCCN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000262853258 510441205 /nfs/dbraw/zinc/44/12/05/510441205.db2.gz SOXIUGINGCRYAM-WDEREUQCSA-N 0 3 374.363 2.624 20 5 FFBDHN CN(CC1CCN(C)CC1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181545195 510467102 /nfs/dbraw/zinc/46/71/02/510467102.db2.gz QEPRYQHTYUHXEG-UHFFFAOYSA-N 0 3 357.357 2.610 20 5 FFBDHN CCc1n[nH]c(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000246483915 510513706 /nfs/dbraw/zinc/51/37/06/510513706.db2.gz LQLQVJSWUHLARN-DZGCQCFKSA-N 0 3 371.441 2.663 20 5 FFBDHN CCN(CC)[C@@H](CNC(=O)c1nn(CC)cc1[N+](=O)[O-])c1ccccc1 ZINC000191466123 510673628 /nfs/dbraw/zinc/67/36/28/510673628.db2.gz DFXFTUDPNSJBKA-HNNXBMFYSA-N 0 3 359.430 2.624 20 5 FFBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@H](Nc2ccccc2)C1 ZINC000182145573 510780914 /nfs/dbraw/zinc/78/09/14/510780914.db2.gz NUYVKSTYOAGTOZ-SJORKVTESA-N 0 3 357.410 2.521 20 5 FFBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000247182394 510849586 /nfs/dbraw/zinc/84/95/86/510849586.db2.gz BEMANMQPGXHJIF-QMTHXVAHSA-N 0 3 370.247 2.770 20 5 FFBDHN COc1cccc(COC[C@@H](O)CN(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000285443998 510909480 /nfs/dbraw/zinc/90/94/80/510909480.db2.gz XTYUXTCAYRYLRQ-SFHVURJKSA-N 0 3 374.437 2.655 20 5 FFBDHN C[C@@H]1C[C@@H](N(C)C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CCN1C ZINC000279408197 511072881 /nfs/dbraw/zinc/07/28/81/511072881.db2.gz XBLXCHDOPRWBKL-PWSUYJOCSA-N 0 3 357.813 2.871 20 5 FFBDHN C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)NCCF ZINC000282725686 511088928 /nfs/dbraw/zinc/08/89/28/511088928.db2.gz QPYVTJMZVMWXSW-NSHDSACASA-N 0 3 351.403 2.887 20 5 FFBDHN CN1CCN(CC2(C)CCN(Cc3cc(F)ccc3[N+](=O)[O-])CC2)CC1 ZINC000364942116 511166553 /nfs/dbraw/zinc/16/65/53/511166553.db2.gz HYTKGIZQFFXKAB-UHFFFAOYSA-N 0 3 364.465 2.583 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(c3ccccn3)CC2)c1 ZINC000362760936 511234596 /nfs/dbraw/zinc/23/45/96/511234596.db2.gz YOJUWTJWWQVZAC-QGZVFWFLSA-N 0 3 357.410 2.609 20 5 FFBDHN C[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCN(C2CC2)C1 ZINC000295233318 511331173 /nfs/dbraw/zinc/33/11/73/511331173.db2.gz BXNQYSBMYYRIFG-ZDUSSCGKSA-N 0 3 358.442 2.725 20 5 FFBDHN Cc1cc(Cl)c(C(=O)NC[C@]2(N(C)C)CCSC2)cc1[N+](=O)[O-] ZINC000295364435 511379210 /nfs/dbraw/zinc/37/92/10/511379210.db2.gz RGYBVLDVDNDFPS-OAHLLOKOSA-N 0 3 357.863 2.724 20 5 FFBDHN C[C@H](N[C@H]1CCN(c2ccccc2C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000363175186 511396774 /nfs/dbraw/zinc/39/67/74/511396774.db2.gz PAXYNDMRKQQFJV-ZFWWWQNUSA-N 0 3 354.410 2.623 20 5 FFBDHN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)cc1SC ZINC000334042580 511436107 /nfs/dbraw/zinc/43/61/07/511436107.db2.gz TXVGUWTTWBRVQL-QWRGUYRKSA-N 0 3 353.444 2.538 20 5 FFBDHN CN1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3Br)C2)C1 ZINC000292236696 511516871 /nfs/dbraw/zinc/51/68/71/511516871.db2.gz NWVFHCXYZHMHAC-HNNXBMFYSA-N 0 3 368.231 2.525 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](OC)C(C)(C)C1 ZINC000295867776 511540376 /nfs/dbraw/zinc/54/03/76/511540376.db2.gz FKTOPTVBOIVTAT-MRXNPFEDSA-N 0 3 365.430 2.679 20 5 FFBDHN O=C(NC[C@H]1CCN(C2CC2)C1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000281025134 511694418 /nfs/dbraw/zinc/69/44/18/511694418.db2.gz UOVWYGYWXJTYBO-CQSZACIVSA-N 0 3 366.421 2.871 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000312516901 511784766 /nfs/dbraw/zinc/78/47/66/511784766.db2.gz SWIRHADTCVOGKA-HNNXBMFYSA-N 0 3 370.409 2.710 20 5 FFBDHN CN(c1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1)C1CCN(C)CC1 ZINC000363866245 511817642 /nfs/dbraw/zinc/81/76/42/511817642.db2.gz ZKMXRUQBWYZXRT-UHFFFAOYSA-N 0 3 369.425 2.773 20 5 FFBDHN CN1CC[C@H]2OCCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)[C@@H]2C1 ZINC000284734926 511844290 /nfs/dbraw/zinc/84/42/90/511844290.db2.gz WBRPACSDOKFBNM-IAGOWNOFSA-N 0 3 374.466 2.623 20 5 FFBDHN CN(CCN(C)C1CC1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000274559932 511872938 /nfs/dbraw/zinc/87/29/38/511872938.db2.gz ZZSMDHFWOOQUTJ-UHFFFAOYSA-N 0 3 354.838 2.526 20 5 FFBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000296881963 511935439 /nfs/dbraw/zinc/93/54/39/511935439.db2.gz XASFSLDDULKVQM-ZDUSSCGKSA-N 0 3 371.441 2.787 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000296919193 511950743 /nfs/dbraw/zinc/95/07/43/511950743.db2.gz YZSDZZBEXVXTPQ-SFHVURJKSA-N 0 3 362.430 2.943 20 5 FFBDHN CS[C@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H]1N1CCCC1 ZINC000275126072 512049175 /nfs/dbraw/zinc/04/91/75/512049175.db2.gz NRUAKJUYZSVCEE-HOTGVXAUSA-N 0 3 374.466 2.728 20 5 FFBDHN C[C@H]1CN(CC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C)O1 ZINC000364410174 512107359 /nfs/dbraw/zinc/10/73/59/512107359.db2.gz AUQMELSEKPGYKE-GJZGRUSLSA-N 0 3 361.442 2.556 20 5 FFBDHN CN1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000411419843 512626407 /nfs/dbraw/zinc/62/64/07/512626407.db2.gz PJVYOAXWXWGYDR-IBGZPJMESA-N 0 3 368.437 2.912 20 5 FFBDHN C[C@@H]1CN(C[C@@H]2CCCN2CCOc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000374028059 512629937 /nfs/dbraw/zinc/62/99/37/512629937.db2.gz VYVMGPPATCRFJP-BBWFWOEESA-N 0 3 363.458 2.547 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000378324125 512695104 /nfs/dbraw/zinc/69/51/04/512695104.db2.gz RPCBSIVQYSECMS-UHFFFAOYSA-N 0 3 374.485 2.534 20 5 FFBDHN CN1CCC2(CCCN2C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000367963016 512742883 /nfs/dbraw/zinc/74/28/83/512742883.db2.gz KDTVYVSUHIHAGB-UHFFFAOYSA-N 0 3 353.369 2.773 20 5 FFBDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000374793960 513006770 /nfs/dbraw/zinc/00/67/70/513006770.db2.gz NBXYEAZDOHZIAD-CQSZACIVSA-N 0 3 372.400 2.663 20 5 FFBDHN C[C@H]1C[C@H]1N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000412371746 513056340 /nfs/dbraw/zinc/05/63/40/513056340.db2.gz YQOCRIFTQOZLOO-CJBAZIHXSA-N 0 3 357.454 2.887 20 5 FFBDHN C[C@@H]1CN(CCCCNc2nccc3c2cccc3[N+](=O)[O-])C[C@@H](C)O1 ZINC000450373564 513164863 /nfs/dbraw/zinc/16/48/63/513164863.db2.gz CSHDRCBVOAJXMQ-HUUCEWRRSA-N 0 3 358.442 2.866 20 5 FFBDHN C[C@]12CCN(CCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)C[C@H]1C2(F)F ZINC000428735839 513177789 /nfs/dbraw/zinc/17/77/89/513177789.db2.gz XJLFMVOXKFAQMV-ZBFHGGJFSA-N 0 3 367.352 2.870 20 5 FFBDHN CCN1C[C@@H](C)N(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C[C@@H]1C ZINC000450500784 513222907 /nfs/dbraw/zinc/22/29/07/513222907.db2.gz OEASKYBKAHKMOK-QWHCGFSZSA-N 0 3 357.414 2.540 20 5 FFBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCCN1C1CC1 ZINC000434418871 513318722 /nfs/dbraw/zinc/31/87/22/513318722.db2.gz GGWGZBXFBIBAOZ-GOSISDBHSA-N 0 3 360.458 2.920 20 5 FFBDHN O=C(CN[C@@H]1Cc2cccc(O)c2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000429319795 513339698 /nfs/dbraw/zinc/33/96/98/513339698.db2.gz VTFHIFSGSYMAAI-LLVKDONJSA-N 0 3 361.785 2.649 20 5 FFBDHN C[C@H]1NCCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H]1C ZINC000418098483 513371329 /nfs/dbraw/zinc/37/13/29/513371329.db2.gz ZZGXHDCVNPQOLB-ZJUUUORDSA-N 0 3 360.336 2.505 20 5 FFBDHN C[C@H]1NCCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H]1C ZINC000418098471 513371801 /nfs/dbraw/zinc/37/18/01/513371801.db2.gz ZZGXHDCVNPQOLB-NXEZZACHSA-N 0 3 360.336 2.505 20 5 FFBDHN CN(Cc1ccccc1)C(=O)CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447538542 513502511 /nfs/dbraw/zinc/50/25/11/513502511.db2.gz BVYDGJFACLXCLS-SJORKVTESA-N 0 3 371.441 2.523 20 5 FFBDHN C[C@@H]1CN(CCCCNc2nccc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000413179974 513502671 /nfs/dbraw/zinc/50/26/71/513502671.db2.gz DCFCCUFNSSXUCN-GASCZTMLSA-N 0 3 358.442 2.866 20 5 FFBDHN N[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000418428470 513504992 /nfs/dbraw/zinc/50/49/92/513504992.db2.gz MJWHXTJERPDTMS-KRWDZBQOSA-N 0 3 354.410 2.969 20 5 FFBDHN COc1ccc(OCCN2CCC[C@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000441186290 513507978 /nfs/dbraw/zinc/50/79/78/513507978.db2.gz WNDSXDZADQZSLF-GJZGRUSLSA-N 0 3 350.415 2.731 20 5 FFBDHN Cc1c(CNC(=O)Nc2ccc3c(c2)CNCCO3)cccc1[N+](=O)[O-] ZINC000415984037 513517020 /nfs/dbraw/zinc/51/70/20/513517020.db2.gz HLUWSISEEJILPE-UHFFFAOYSA-N 0 3 356.382 2.707 20 5 FFBDHN CCCc1[nH]nc(C(=O)Nc2cccc3c2OCC[C@@H]3N(C)C)c1[N+](=O)[O-] ZINC000447730022 513554807 /nfs/dbraw/zinc/55/48/07/513554807.db2.gz PCBVFEZVEJCLLN-AWEZNQCLSA-N 0 3 373.413 2.908 20 5 FFBDHN CCCc1[n-]nc(C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)c1[N+](=O)[O-] ZINC000447730022 513554812 /nfs/dbraw/zinc/55/48/12/513554812.db2.gz PCBVFEZVEJCLLN-AWEZNQCLSA-N 0 3 373.413 2.908 20 5 FFBDHN CC(C)(C)OC(=O)CC[C@@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000425474065 513586302 /nfs/dbraw/zinc/58/63/02/513586302.db2.gz KVTXFBFDLIJWJR-AWEZNQCLSA-N 0 3 352.435 2.768 20 5 FFBDHN COC(=O)[C@@H]1CCCCC[C@@H]1NCc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000451236069 513614046 /nfs/dbraw/zinc/61/40/46/513614046.db2.gz MOMFSCPSJJVVDI-OCCSQVGLSA-N 0 3 354.378 2.954 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000447911008 513621850 /nfs/dbraw/zinc/62/18/50/513621850.db2.gz GXHTXROMRYCVLA-HNNXBMFYSA-N 0 3 350.419 2.845 20 5 FFBDHN C[C@@H](N[C@@H]1CCO[C@@H](c2ccccn2)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000419310268 513771052 /nfs/dbraw/zinc/77/10/52/513771052.db2.gz QSRUYMXFTGUZHX-DDUZABMNSA-N 0 3 370.409 2.827 20 5 FFBDHN CC1(C)[C@H](NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H]2CCCO[C@H]21 ZINC000451478242 513775182 /nfs/dbraw/zinc/77/51/82/513775182.db2.gz JROZBAWRSFZSDS-HFBAOOFYSA-N 0 3 367.833 2.980 20 5 FFBDHN CCOc1ccc(NC(=O)CN[C@H]2C[C@@](C)(OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451484801 513780262 /nfs/dbraw/zinc/78/02/62/513780262.db2.gz HRPIUQAQLQYNEJ-MAUKXSAKSA-N 0 3 365.430 2.725 20 5 FFBDHN C[C@@H](CN1CCCCC1)NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448691447 513846931 /nfs/dbraw/zinc/84/69/31/513846931.db2.gz QTMYGNAQYFWCTP-ZDUSSCGKSA-N 0 3 357.414 2.589 20 5 FFBDHN COC(=O)[C@@H]1CCCC[C@@H]1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000451589153 513852002 /nfs/dbraw/zinc/85/20/02/513852002.db2.gz UCYHUEQLNACRHK-GUTXKFCHSA-N 0 3 363.414 2.552 20 5 FFBDHN C[C@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)N1CCC[C@H](C)C1 ZINC000448703569 513854292 /nfs/dbraw/zinc/85/42/92/513854292.db2.gz BYEXIWITJSVDGP-LSDHHAIUSA-N 0 3 361.442 2.794 20 5 FFBDHN C[C@H]1[C@H](NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCCN1C ZINC000426209177 513872964 /nfs/dbraw/zinc/87/29/64/513872964.db2.gz HNBBBWYXCAPQAC-IINYFYTJSA-N 0 3 374.363 2.896 20 5 FFBDHN C[C@@H](NC[C@@H](O)Cn1ccnn1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414198113 514008322 /nfs/dbraw/zinc/00/83/22/514008322.db2.gz WBIUKQUWJOFZGE-CHWSQXEVSA-N 0 3 373.438 2.627 20 5 FFBDHN CN1CCC[C@@H](NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000451860375 514027117 /nfs/dbraw/zinc/02/71/17/514027117.db2.gz DPLXGRGUSHFTOG-VQIMIIECSA-N 0 3 371.437 2.895 20 5 FFBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])Nc1cc(C(N)=O)ccc1CN(C)C ZINC000449054638 514054030 /nfs/dbraw/zinc/05/40/30/514054030.db2.gz HOMHFMFBJHOIQK-CYBMUJFWSA-N 0 3 356.426 2.798 20 5 FFBDHN CCN1CCN(CC(C)(C)NCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000451992738 514117256 /nfs/dbraw/zinc/11/72/56/514117256.db2.gz UNIZWFDZYKVMKR-UHFFFAOYSA-N 0 3 354.882 2.754 20 5 FFBDHN COc1cnccc1N1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000432369462 514174725 /nfs/dbraw/zinc/17/47/25/514174725.db2.gz QHJDBPRHTRVDHK-UHFFFAOYSA-N 0 3 371.397 2.661 20 5 FFBDHN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)n1 ZINC000423626616 514187097 /nfs/dbraw/zinc/18/70/97/514187097.db2.gz SQVIXOLIYBNFBC-UHFFFAOYSA-N 0 3 357.292 2.541 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2ccc(CN[C@H]3CCCN(CCCO)C3)o2)c1 ZINC000449393199 514192255 /nfs/dbraw/zinc/19/22/55/514192255.db2.gz BQSPDDJUNGDIEC-INIZCTEOSA-N 0 3 359.426 2.791 20 5 FFBDHN CCOc1cc(C(=O)Nc2ccc3c(c2)CNC3)c([N+](=O)[O-])cc1OC ZINC000449661715 514288065 /nfs/dbraw/zinc/28/80/65/514288065.db2.gz CZDMXSKYJWHGRW-UHFFFAOYSA-N 0 3 357.366 2.858 20 5 FFBDHN Cn1cc(CN2CCC[C@]3(CCOC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449681879 514302519 /nfs/dbraw/zinc/30/25/19/514302519.db2.gz FJSWTTORWMNKFQ-IBGZPJMESA-N 0 3 356.426 2.998 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000427818026 514323724 /nfs/dbraw/zinc/32/37/24/514323724.db2.gz NVPXYSOCUZXJEF-HNNXBMFYSA-N 0 3 357.410 2.506 20 5 FFBDHN CS(=O)(=O)CCCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000424177345 514408575 /nfs/dbraw/zinc/40/85/75/514408575.db2.gz ZWCPOOQAAOLITR-UHFFFAOYSA-N 0 3 369.468 2.633 20 5 FFBDHN COc1cc(CN(C)C[C@@H]2CCCN2C)c([N+](=O)[O-])cc1OC(F)F ZINC000421002744 514433032 /nfs/dbraw/zinc/43/30/32/514433032.db2.gz MPZHKYJFKYRTKG-LBPRGKRZSA-N 0 3 359.373 2.731 20 5 FFBDHN Cc1c(CC(=O)NCC2(N(C)C)Cc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000438825884 514450471 /nfs/dbraw/zinc/45/04/71/514450471.db2.gz KMBMWOJCRCRJDU-UHFFFAOYSA-N 0 3 367.449 2.661 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000428530325 514490085 /nfs/dbraw/zinc/49/00/85/514490085.db2.gz CXBRPQVUBAMUOD-MRXNPFEDSA-N 0 3 355.394 2.722 20 5 FFBDHN O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000461110001 514517140 /nfs/dbraw/zinc/51/71/40/514517140.db2.gz VFIWZRHLMGOBQN-QGZVFWFLSA-N 0 3 356.382 2.805 20 5 FFBDHN O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000461115393 514519255 /nfs/dbraw/zinc/51/92/55/514519255.db2.gz XDNCNQUNYSJNDX-KRWDZBQOSA-N 0 3 356.382 2.805 20 5 FFBDHN CN(C)C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000488910367 514630267 /nfs/dbraw/zinc/63/02/67/514630267.db2.gz KWHDERQDALPAMA-MRXNPFEDSA-N 0 3 360.389 2.565 20 5 FFBDHN Cc1ccc(S(=O)(=O)NC2CCN(C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000484790090 514797434 /nfs/dbraw/zinc/79/74/34/514797434.db2.gz UPDFEBKKPQPWTE-UHFFFAOYSA-N 0 3 367.471 2.589 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000467018944 514864610 /nfs/dbraw/zinc/86/46/10/514864610.db2.gz QXCAQBIOZZFGKK-IAQYHMDHSA-N 0 3 372.450 2.931 20 5 FFBDHN COc1cc(CN[C@H](C)CC(N)=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000498366299 514883636 /nfs/dbraw/zinc/88/36/36/514883636.db2.gz XNZWSYDQEQUNIM-CYBMUJFWSA-N 0 3 373.409 2.536 20 5 FFBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000498473895 514919679 /nfs/dbraw/zinc/91/96/79/514919679.db2.gz OKBYOVTWDLGGGI-CYBMUJFWSA-N 0 3 368.865 2.774 20 5 FFBDHN COc1ccc(CN(CCn2ccc([N+](=O)[O-])n2)CC2CC2)c(OC)c1 ZINC000503208407 514960271 /nfs/dbraw/zinc/96/02/71/514960271.db2.gz KVYVDXJCOLVRMS-UHFFFAOYSA-N 0 3 360.414 2.721 20 5 FFBDHN CN(c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)C1CCN(CCO)CC1 ZINC000485398538 515025243 /nfs/dbraw/zinc/02/52/43/515025243.db2.gz KYSBGNSFSLHYBJ-UHFFFAOYSA-N 0 3 374.416 2.689 20 5 FFBDHN CCOc1ccc(NC(=O)CN[C@@H]2CCC[C@H]2OC(F)F)c([N+](=O)[O-])c1 ZINC000503524731 515067558 /nfs/dbraw/zinc/06/75/58/515067558.db2.gz ZKFLKAGNURNYEG-TZMCWYRMSA-N 0 3 373.356 2.682 20 5 FFBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C3CC3)C2)nc1OCc1ccccc1 ZINC000462484571 515077639 /nfs/dbraw/zinc/07/76/39/515077639.db2.gz AJOIDSJOYFVGMQ-HNNXBMFYSA-N 0 3 354.410 2.639 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462491876 515082321 /nfs/dbraw/zinc/08/23/21/515082321.db2.gz SQHTYXHIMIPMHF-PBHICJAKSA-N 0 3 368.437 2.885 20 5 FFBDHN Cc1noc([C@@H]2CCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)n1 ZINC000499005976 515163357 /nfs/dbraw/zinc/16/33/57/515163357.db2.gz NRSFJHMZBWRPFG-CQSZACIVSA-N 0 3 369.381 2.973 20 5 FFBDHN COc1cnccc1N1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000481063941 515193514 /nfs/dbraw/zinc/19/35/14/515193514.db2.gz TZVYQQZJXHFLET-UHFFFAOYSA-N 0 3 365.393 2.873 20 5 FFBDHN CC(C)N(CCN(C)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000504005055 515195587 /nfs/dbraw/zinc/19/55/87/515195587.db2.gz IPJVHBGZFFWAII-UHFFFAOYSA-N 0 3 371.503 2.518 20 5 FFBDHN Cc1ccc(CN(CCN(C)C)C(=O)CCNc2ccccc2[N+](=O)[O-])o1 ZINC000504021561 515199219 /nfs/dbraw/zinc/19/92/19/515199219.db2.gz DDJIKIHZXKNLNV-UHFFFAOYSA-N 0 3 374.441 2.889 20 5 FFBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000462780252 515240280 /nfs/dbraw/zinc/24/02/80/515240280.db2.gz VTPXUPRDQHPBBD-CRAIPNDOSA-N 0 3 365.499 2.717 20 5 FFBDHN Cc1nn(C)c(C(=O)N2CCN(C(C)(C)CC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000456683339 515348937 /nfs/dbraw/zinc/34/89/37/515348937.db2.gz AUPAULZEFNBYOS-UHFFFAOYSA-N 0 3 365.478 2.609 20 5 FFBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1ccc(C(N)=O)nc1 ZINC000504894369 515405242 /nfs/dbraw/zinc/40/52/42/515405242.db2.gz KZMGXRIBQMKBRD-ZDUSSCGKSA-N 0 3 360.439 2.749 20 5 FFBDHN CN1C[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@H](c2ccccc2)C1 ZINC000481793544 515469730 /nfs/dbraw/zinc/46/97/30/515469730.db2.gz KKWMTEZKDDGUMM-HKUYNNGSSA-N 0 3 364.405 2.904 20 5 FFBDHN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCCCN1CCCC[C@@H]1C ZINC000481961358 515528436 /nfs/dbraw/zinc/52/84/36/515528436.db2.gz YTMOWCYZHXJSQH-HNNXBMFYSA-N 0 3 369.487 2.754 20 5 FFBDHN CCN(CC)[C@@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000468812238 515531269 /nfs/dbraw/zinc/53/12/69/515531269.db2.gz DOLVSICOOQERLM-QGZVFWFLSA-N 0 3 371.503 2.771 20 5 FFBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)n1 ZINC000510552388 515583807 /nfs/dbraw/zinc/58/38/07/515583807.db2.gz QGQOCBZFYQATLN-DYVFJYSZSA-N 0 3 359.430 2.541 20 5 FFBDHN CC1(C)CCCN1CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000457062381 515618296 /nfs/dbraw/zinc/61/82/96/515618296.db2.gz UXJHMHAOGCQMCL-UHFFFAOYSA-N 0 3 370.247 2.962 20 5 FFBDHN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3C[C@@H](C)NC[C@H]3C)cc2[N+](=O)[O-])C1 ZINC000505850289 515696257 /nfs/dbraw/zinc/69/62/57/515696257.db2.gz FZAAXMNOHJIVNL-QKPAOTATSA-N 0 3 374.485 2.900 20 5 FFBDHN CCCCN1CCCC[C@H]1CNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000478260051 515756536 /nfs/dbraw/zinc/75/65/36/515756536.db2.gz QNUZCTSPVKTNGR-AWEZNQCLSA-N 0 3 350.419 2.843 20 5 FFBDHN COc1cccc2c1C[C@@H](NCc1cc(OC)c(OC)cc1[N+](=O)[O-])C2 ZINC000459716138 515763221 /nfs/dbraw/zinc/76/32/21/515763221.db2.gz ZJGLHTQKXXSQLT-AWEZNQCLSA-N 0 3 358.394 2.878 20 5 FFBDHN CN(CCn1cc([N+](=O)[O-])cn1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511071413 515766842 /nfs/dbraw/zinc/76/68/42/515766842.db2.gz DVFYOPGFADJSPZ-UHFFFAOYSA-N 0 3 358.320 2.864 20 5 FFBDHN CN(CCc1ccccc1[N+](=O)[O-])CCc1nc2ccccc2c(=O)[nH]1 ZINC000511108353 515784097 /nfs/dbraw/zinc/78/40/97/515784097.db2.gz NBMIPESUHRUGCA-UHFFFAOYSA-N 0 3 352.394 2.961 20 5 FFBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000494386538 515828144 /nfs/dbraw/zinc/82/81/44/515828144.db2.gz NRJHDLZJNSYKCA-HWWQOWPSSA-N 0 3 350.394 2.928 20 5 FFBDHN CN(C)CCN(Cc1ccccn1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000500746597 515839485 /nfs/dbraw/zinc/83/94/85/515839485.db2.gz UXYHNDSZEKKFNL-UHFFFAOYSA-N 0 3 368.393 2.940 20 5 FFBDHN C[C@@H]1CCCN1C(=O)CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464782931 515956425 /nfs/dbraw/zinc/95/64/25/515956425.db2.gz CQWGGSBLMBIAHN-OAHLLOKOSA-N 0 3 361.442 2.839 20 5 FFBDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)Nc1ccncc1[N+](=O)[O-])N(C)C ZINC000478949071 516017415 /nfs/dbraw/zinc/01/74/15/516017415.db2.gz HLQAXLIEBPYXCC-GUYCJALGSA-N 0 3 357.414 2.533 20 5 FFBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000488028078 516085063 /nfs/dbraw/zinc/08/50/63/516085063.db2.gz SGOHGLFXGBDLPN-DAYGRLMNSA-N 0 3 360.458 2.509 20 5 FFBDHN Cn1c(C(=O)Nc2ccc(CCN3CCSCC3)cc2)ccc1[N+](=O)[O-] ZINC000501398079 516090961 /nfs/dbraw/zinc/09/09/61/516090961.db2.gz UWULUHOLXBFHLK-UHFFFAOYSA-N 0 3 374.466 2.777 20 5 FFBDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)c1c([N+](=O)[O-])ncn1C ZINC000470047444 516091481 /nfs/dbraw/zinc/09/14/81/516091481.db2.gz SLFIUAJWCLGFNH-UHFFFAOYSA-N 0 3 371.363 2.915 20 5 FFBDHN CN(C)[C@@]1(CNc2ncc(Br)cc2[N+](=O)[O-])CCSC1 ZINC000474776920 516190470 /nfs/dbraw/zinc/19/04/70/516190470.db2.gz TVEYWIVPOZYOLD-GFCCVEGCSA-N 0 3 361.265 2.602 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](COC(F)F)C1 ZINC000512822378 516376332 /nfs/dbraw/zinc/37/63/32/516376332.db2.gz GJTNQEQZWPUNDJ-LBPRGKRZSA-N 0 3 357.357 2.793 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])c(NC[C@@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC000543790708 516430207 /nfs/dbraw/zinc/43/02/07/516430207.db2.gz ZJLUYLLPIWDZCI-IBGZPJMESA-N 0 3 356.426 2.656 20 5 FFBDHN COC(=O)c1ccc(CN[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000517783451 516450987 /nfs/dbraw/zinc/45/09/87/516450987.db2.gz QEANNABIXVBODV-CYBMUJFWSA-N 0 3 371.393 2.888 20 5 FFBDHN CN(C)CCN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000523380233 516454882 /nfs/dbraw/zinc/45/48/82/516454882.db2.gz AUASIBGXYDUVHN-UHFFFAOYSA-N 0 3 357.366 2.532 20 5 FFBDHN CC(C)(C)N1CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000535718381 516465014 /nfs/dbraw/zinc/46/50/14/516465014.db2.gz IIRWBHQKWARIEE-UHFFFAOYSA-N 0 3 371.441 2.727 20 5 FFBDHN C[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc2n[nH]cc2c1 ZINC000513204576 516520269 /nfs/dbraw/zinc/52/02/69/516520269.db2.gz GPDSHWOKSUJUQU-WBMJQRKESA-N 0 3 356.382 2.562 20 5 FFBDHN CN(C)C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000557955949 516521662 /nfs/dbraw/zinc/52/16/62/516521662.db2.gz SSNRAMIKXSZULP-KRWDZBQOSA-N 0 3 361.373 2.532 20 5 FFBDHN CN(Cc1ccccc1)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)C1CC1 ZINC000547855630 516599943 /nfs/dbraw/zinc/59/99/43/516599943.db2.gz VURHKAWDNJALDD-SFHVURJKSA-N 0 3 356.426 2.574 20 5 FFBDHN Cc1c(Br)c(N2CCC[C@@H]3CN(C)CC[C@@H]32)ncc1[N+](=O)[O-] ZINC000544394996 516739705 /nfs/dbraw/zinc/73/97/05/516739705.db2.gz SXENLPYTDSYSAG-NEPJUHHUSA-N 0 3 369.263 2.981 20 5 FFBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000561823225 516788558 /nfs/dbraw/zinc/78/85/58/516788558.db2.gz QNABLCJCKLFNGC-DGCLKSJQSA-N 0 3 353.369 2.501 20 5 FFBDHN C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@@H]1C ZINC000544511594 516789376 /nfs/dbraw/zinc/78/93/76/516789376.db2.gz ASDVIFMIYRPGJV-OAVHHTNSSA-N 0 3 355.394 2.737 20 5 FFBDHN COc1ccc([C@H](CN(C)C)NC(=O)NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000562294259 517013728 /nfs/dbraw/zinc/01/37/28/517013728.db2.gz VNYULIMYDOEVBB-SFHVURJKSA-N 0 3 372.425 2.706 20 5 FFBDHN CCN1CCCC[C@H]1CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000552044176 517049984 /nfs/dbraw/zinc/04/99/84/517049984.db2.gz SYQQNTPYUKSWAT-ZWKOTPCHSA-N 0 3 357.458 2.882 20 5 FFBDHN COc1cc(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000525576145 517080589 /nfs/dbraw/zinc/08/05/89/517080589.db2.gz OBQVQIGRKBLSLY-STQMWFEESA-N 0 3 365.430 2.605 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H](O)[C@@H]3CCOC3)o2)c(Cl)c1 ZINC000537315442 517139151 /nfs/dbraw/zinc/13/91/51/517139151.db2.gz SCWNWGQHRABOPJ-BZNIZROVSA-N 0 3 366.801 2.995 20 5 FFBDHN COc1cc(C(=O)NCc2ccc(CN(C)C)cc2)cc([N+](=O)[O-])c1OC ZINC000525750416 517148624 /nfs/dbraw/zinc/14/86/24/517148624.db2.gz CUNCJQOOBDTGPR-UHFFFAOYSA-N 0 3 373.409 2.604 20 5 FFBDHN CCOC(=O)[C@]1(C(C)C)CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000562598196 517224502 /nfs/dbraw/zinc/22/45/02/517224502.db2.gz SNSXHOQSHIKYFO-GOSISDBHSA-N 0 3 350.415 2.885 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000552513154 517290906 /nfs/dbraw/zinc/29/09/06/517290906.db2.gz ILTQCICOILRBLE-YJBOKZPZSA-N 0 3 360.385 2.963 20 5 FFBDHN CN(C(=O)c1cc([N+](=O)[O-])cn1C)c1ccc(OCCN2CCCC2)cc1 ZINC000533234490 517356732 /nfs/dbraw/zinc/35/67/32/517356732.db2.gz JALJMPVPDWZXSF-UHFFFAOYSA-N 0 3 372.425 2.685 20 5 FFBDHN C[C@@H](COc1cccc(F)c1)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000515466839 517363220 /nfs/dbraw/zinc/36/32/20/517363220.db2.gz AAMXDFQBFFHBQG-XJKSGUPXSA-N 0 3 364.373 2.531 20 5 FFBDHN COc1ccc(C[C@@H]2CCCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)cc1 ZINC000515469981 517366433 /nfs/dbraw/zinc/36/64/33/517366433.db2.gz HPTIXRXXTYOQJS-KRWDZBQOSA-N 0 3 371.437 2.720 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1Nc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000520441907 517395871 /nfs/dbraw/zinc/39/58/71/517395871.db2.gz BYUVFUPLCGZVRE-SUMWQHHRSA-N 0 3 354.410 2.626 20 5 FFBDHN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(C2CCCC2)CC1 ZINC000549456749 517572988 /nfs/dbraw/zinc/57/29/88/517572988.db2.gz UEBCDMLPSZKWSD-UHFFFAOYSA-N 0 3 370.457 2.938 20 5 FFBDHN CCCCN1CCCC[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000546176768 517582321 /nfs/dbraw/zinc/58/23/21/517582321.db2.gz QWUBAQNVVGQYDB-OAHLLOKOSA-N 0 3 355.460 2.528 20 5 FFBDHN COc1cc(C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000563235264 517761046 /nfs/dbraw/zinc/76/10/46/517761046.db2.gz OXANEJJSTZHFMK-FQEVSTJZSA-N 0 3 369.421 2.998 20 5 FFBDHN COc1cc(C(=O)N2CCN(C3CCC3)C[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000553528242 517765576 /nfs/dbraw/zinc/76/55/76/517765576.db2.gz SKVILRLOFOPQJT-ZDUSSCGKSA-N 0 3 361.442 2.858 20 5 FFBDHN COC[C@](C)(CCO)NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000530697853 517927343 /nfs/dbraw/zinc/92/73/43/517927343.db2.gz RQKMMKSSVBFCEV-SFHVURJKSA-N 0 3 364.398 2.741 20 5 FFBDHN C[C@@H]1CCCN(c2ccc(C(=O)NC[C@H]3CCCN3C)cc2[N+](=O)[O-])C1 ZINC000517087423 518018831 /nfs/dbraw/zinc/01/88/31/518018831.db2.gz QETXPKMIUFXJHA-GDBMZVCRSA-N 0 3 360.458 2.655 20 5 FFBDHN C[C@@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000557522299 518051608 /nfs/dbraw/zinc/05/16/08/518051608.db2.gz ZMSUSJCIZSQDMV-ZDUSSCGKSA-N 0 3 354.410 2.552 20 5 FFBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000522277914 518062809 /nfs/dbraw/zinc/06/28/09/518062809.db2.gz XJBQONCRSBIBJK-UHFFFAOYSA-N 0 3 370.453 2.714 20 5 FFBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000522386958 518094737 /nfs/dbraw/zinc/09/47/37/518094737.db2.gz QKRGINYGRBIKTN-QWHCGFSZSA-N 0 3 369.849 2.816 20 5 FFBDHN CS[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@@H]1N(C)C ZINC000534951802 518095222 /nfs/dbraw/zinc/09/52/22/518095222.db2.gz MPTAHRLKGTYITP-DOTOQJQBSA-N 0 3 353.488 2.859 20 5 FFBDHN CCc1nn(C)c(NCc2ccc(OCCN3CCCC3)cc2)c1[N+](=O)[O-] ZINC000539858236 518172792 /nfs/dbraw/zinc/17/27/92/518172792.db2.gz YQIARDGMTNUKSM-UHFFFAOYSA-N 0 3 373.457 2.977 20 5 FFBDHN CC(C)Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)N(C)C)cc1 ZINC000564030460 518274378 /nfs/dbraw/zinc/27/43/78/518274378.db2.gz YXAYBCLKSDHEIC-INIZCTEOSA-N 0 3 359.430 2.549 20 5 FFBDHN C[C@H](CNC[C@H](O)COc1cccc([N+](=O)[O-])c1)Oc1ccccc1F ZINC000575917391 518340964 /nfs/dbraw/zinc/34/09/64/518340964.db2.gz XGBTYMVVLOIEDL-HIFRSBDPSA-N 0 3 364.373 2.531 20 5 FFBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000576194426 518473126 /nfs/dbraw/zinc/47/31/26/518473126.db2.gz CLOZVSFDNAZLSQ-AZUAARDMSA-N 0 3 355.438 2.567 20 5 FFBDHN CCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000584869448 518516256 /nfs/dbraw/zinc/51/62/56/518516256.db2.gz HVSACGIIUOEUJR-USXIJHARSA-N 0 3 361.442 2.719 20 5 FFBDHN C[C@@H](CNC[C@H](O)COc1ccccc1[N+](=O)[O-])Oc1ccccc1F ZINC000579103339 518523227 /nfs/dbraw/zinc/52/32/27/518523227.db2.gz JBIKHJPELRSFRY-KBPBESRZSA-N 0 3 364.373 2.531 20 5 FFBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)cc1 ZINC000576339441 518544747 /nfs/dbraw/zinc/54/47/47/518544747.db2.gz OVOHSBHBQSPINI-OTWHNJEPSA-N 0 3 372.446 2.544 20 5 FFBDHN CNC(=O)COc1cccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000582019118 518549336 /nfs/dbraw/zinc/54/93/36/518549336.db2.gz ZOPNPZQHBXLZEF-IBGZPJMESA-N 0 3 369.421 2.887 20 5 FFBDHN CN1CCO[C@H]2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@@H]21 ZINC000585767605 518590216 /nfs/dbraw/zinc/59/02/16/518590216.db2.gz LSACHTBDMXOVIG-HKUYNNGSSA-N 0 3 357.410 2.760 20 5 FFBDHN CN1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)[C@@H]2C1 ZINC000585783656 518595450 /nfs/dbraw/zinc/59/54/50/518595450.db2.gz ZLUVLQCGSKGCCF-IAGOWNOFSA-N 0 3 354.410 2.566 20 5 FFBDHN CCCN(CC)C[C@@H](C)NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000570488316 518630480 /nfs/dbraw/zinc/63/04/80/518630480.db2.gz WAMDESFGADQQNW-CQSZACIVSA-N 0 3 357.476 2.610 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCCCN2CC(C)C)n1 ZINC000567771604 518702087 /nfs/dbraw/zinc/70/20/87/518702087.db2.gz HKUVSFZTXLRTPI-ZDUSSCGKSA-N 0 3 350.419 2.699 20 5 FFBDHN C[C@@H](NC(=O)N1CCc2ccccc2[C@@H]1CN)c1cccc([N+](=O)[O-])c1 ZINC000564935546 518702728 /nfs/dbraw/zinc/70/27/28/518702728.db2.gz DMYGHDLRQQHIQZ-ACJLOTCBSA-N 0 3 354.410 2.924 20 5 FFBDHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000588023658 518704872 /nfs/dbraw/zinc/70/48/72/518704872.db2.gz UCTYLORSMAGPHS-IBGZPJMESA-N 0 3 359.401 2.807 20 5 FFBDHN CCCN(CC)C[C@H](C)NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000570889367 518826658 /nfs/dbraw/zinc/82/66/58/518826658.db2.gz WAMDESFGADQQNW-AWEZNQCLSA-N 0 3 357.476 2.610 20 5 FFBDHN COC1CCC(CCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000576936203 518834749 /nfs/dbraw/zinc/83/47/49/518834749.db2.gz DWCSQXDILRASKF-UHFFFAOYSA-N 0 3 370.471 2.553 20 5 FFBDHN C[C@H](C(=O)NC[C@@H](Cc1ccccc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000577042851 518888144 /nfs/dbraw/zinc/88/81/44/518888144.db2.gz CFGMNKFZYJHLBF-HNAYVOBHSA-N 0 3 355.438 2.987 20 5 FFBDHN Cc1ccc(OCCNC[C@@H](O)COc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000574074015 518975520 /nfs/dbraw/zinc/97/55/20/518975520.db2.gz FSONQGZTCWMNBJ-MRXNPFEDSA-N 0 3 360.410 2.620 20 5 FFBDHN COc1ccc(NC(=O)CCN2CC[C@@H](c3cccnc3)C2)c([N+](=O)[O-])c1 ZINC000583141160 519097469 /nfs/dbraw/zinc/09/74/69/519097469.db2.gz ZMHBITYFKFGQEZ-OAHLLOKOSA-N 0 3 370.409 2.817 20 5 FFBDHN CC(C)N(CCN1CCCCCC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000574354438 519114553 /nfs/dbraw/zinc/11/45/53/519114553.db2.gz UPEBUTUEJMCCRS-UHFFFAOYSA-N 0 3 369.487 2.870 20 5 FFBDHN CNc1ccc(C(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000568682801 519162305 /nfs/dbraw/zinc/16/23/05/519162305.db2.gz CIWSHOUWSNXORM-INIZCTEOSA-N 0 3 360.389 2.808 20 5 FFBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1NCCc2ccccc21 ZINC000566004658 519243049 /nfs/dbraw/zinc/24/30/49/519243049.db2.gz RHKDXJZSRJYBEX-QGZVFWFLSA-N 0 3 359.813 2.794 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](c2ccncc2)C1 ZINC000577884382 519305852 /nfs/dbraw/zinc/30/58/52/519305852.db2.gz KUAKRITWHUVUJO-HNNXBMFYSA-N 0 3 370.409 2.817 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc(OC3CCCCC3)cc2)c1 ZINC000574749843 519312901 /nfs/dbraw/zinc/31/29/01/519312901.db2.gz CFDJJQJYILPTGH-KRWDZBQOSA-N 0 3 374.441 2.654 20 5 FFBDHN COc1cccc2c1CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000590759638 519354456 /nfs/dbraw/zinc/35/44/56/519354456.db2.gz CEPOEAAKLSUARP-UHFFFAOYSA-N 0 3 355.394 2.990 20 5 FFBDHN CCCN1CCC[C@H]1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000572008232 519394854 /nfs/dbraw/zinc/39/48/54/519394854.db2.gz BYFZQXDNRXVCGM-LBPRGKRZSA-N 0 3 370.247 2.962 20 5 FFBDHN COc1ccccc1[C@]1(C)C[C@@H]1NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000581126780 519537438 /nfs/dbraw/zinc/53/74/38/519537438.db2.gz DDIVRBWQBCIOTB-XPGWFJOJSA-N 0 3 372.421 2.663 20 5 FFBDHN Cc1cccc(C)c1OCCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578435568 519590798 /nfs/dbraw/zinc/59/07/98/519590798.db2.gz HPXCOSMAEMMMBT-QGZVFWFLSA-N 0 3 360.410 2.620 20 5 FFBDHN CN(C[C@@H]1CCCN1C)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000600029495 520007736 /nfs/dbraw/zinc/00/77/36/520007736.db2.gz KRDUGGCFBINVAA-JTQLQIEISA-N 0 3 356.220 2.524 20 5 FFBDHN Cn1nnc2c1CC[C@H](NCc1ccc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000594514640 520010523 /nfs/dbraw/zinc/01/05/23/520010523.db2.gz KMWLKUJVTZYOHN-ZDUSSCGKSA-N 0 3 353.382 2.630 20 5 FFBDHN COc1cccc2c1OC[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000591733856 520016626 /nfs/dbraw/zinc/01/66/26/520016626.db2.gz VVUBNOFQDRGOOI-AWEZNQCLSA-N 0 3 371.393 2.525 20 5 FFBDHN CC(=O)c1cccc(OC[C@H](O)CNCc2cccc([N+](=O)[O-])c2C)c1 ZINC000591763439 520028546 /nfs/dbraw/zinc/02/85/46/520028546.db2.gz COKYVJPQAABRAE-QGZVFWFLSA-N 0 3 358.394 2.635 20 5 FFBDHN CCCN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000592004878 520129772 /nfs/dbraw/zinc/12/97/72/520129772.db2.gz CAEAIWYSMICAEO-HNNXBMFYSA-N 0 3 368.865 2.916 20 5 FFBDHN COc1ccc(CC(=O)NC[C@H]2CCN2C2CCCCC2)cc1[N+](=O)[O-] ZINC000600229424 520141061 /nfs/dbraw/zinc/14/10/61/520141061.db2.gz SEPYCHRYFRJCBM-MRXNPFEDSA-N 0 3 361.442 2.669 20 5 FFBDHN C[C@H]1CCCN(C(C)(C)CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000608854650 520145735 /nfs/dbraw/zinc/14/57/35/520145735.db2.gz WDENLVFYQLHPSD-LBPRGKRZSA-N 0 3 363.414 2.564 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000594854663 520190904 /nfs/dbraw/zinc/19/09/04/520190904.db2.gz VEACCJWGDYKADT-AWEZNQCLSA-N 0 3 367.471 2.589 20 5 FFBDHN C[C@@]1(Cc2ccccc2F)CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000592143986 520221625 /nfs/dbraw/zinc/22/16/25/520221625.db2.gz WJGGJAHANKUNMU-IBGZPJMESA-N 0 3 359.401 2.993 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000595003779 520252465 /nfs/dbraw/zinc/25/24/65/520252465.db2.gz JZUDNWCXPKGJLX-GOEBONIOSA-N 0 3 351.447 2.611 20 5 FFBDHN CNC(=O)c1cccc(CCN[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000595009853 520255413 /nfs/dbraw/zinc/25/54/13/520255413.db2.gz TXQDAOXQGQUTRS-ZDUSSCGKSA-N 0 3 357.410 2.856 20 5 FFBDHN O=C(NC[C@@H]1CCN1C1CCCC1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000600469256 520279713 /nfs/dbraw/zinc/27/97/13/520279713.db2.gz IOCBOUOOXLWJTK-INIZCTEOSA-N 0 3 369.425 2.732 20 5 FFBDHN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@@H](N2CCCCC2)C1 ZINC000609348060 520289443 /nfs/dbraw/zinc/28/94/43/520289443.db2.gz KWPNXVSOTWPDJH-QGZVFWFLSA-N 0 3 372.469 2.895 20 5 FFBDHN Cn1cc(C(=O)N[C@H]2CCN(C(C)(C)C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597925370 520326064 /nfs/dbraw/zinc/32/60/64/520326064.db2.gz NWKDXRSSBIXABB-AWEZNQCLSA-N 0 3 371.441 2.598 20 5 FFBDHN CC(C)(C)OC(=O)C1(CNCc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000592373980 520356026 /nfs/dbraw/zinc/35/60/26/520356026.db2.gz FVPRHKDOSSLGEO-UHFFFAOYSA-N 0 3 350.415 2.823 20 5 FFBDHN COC[C@@](C)(O)CNCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000609564498 520358790 /nfs/dbraw/zinc/35/87/90/520358790.db2.gz BYEZYWUZOONIPL-IBGZPJMESA-N 0 3 359.426 2.850 20 5 FFBDHN O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc([C@H]2CNCCO2)cc1 ZINC000595234508 520365197 /nfs/dbraw/zinc/36/51/97/520365197.db2.gz JSAXVCDQGXHREI-GOSISDBHSA-N 0 3 370.409 2.620 20 5 FFBDHN CN1CCN(CCCNc2cccnc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000603849987 520376501 /nfs/dbraw/zinc/37/65/01/520376501.db2.gz QBMIFMBGXABQEE-SFHVURJKSA-N 0 3 355.442 2.781 20 5 FFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000610135247 520554140 /nfs/dbraw/zinc/55/41/40/520554140.db2.gz NLQKOJUTGKOLOF-LSDHHAIUSA-N 0 3 369.487 2.705 20 5 FFBDHN CCCN1CC[C@@H](NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000598341601 520564945 /nfs/dbraw/zinc/56/49/45/520564945.db2.gz DLQOANIIEYDNCN-WCQYABFASA-N 0 3 355.822 2.616 20 5 FFBDHN Cc1cc(C(=O)NCC2(N(C)C)Cc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000610180519 520570637 /nfs/dbraw/zinc/57/06/37/520570637.db2.gz RKMRIOJEKJIERZ-UHFFFAOYSA-N 0 3 353.422 2.732 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@@H](C1CC1)C1(CO)CCOCC1 ZINC000595598208 520583323 /nfs/dbraw/zinc/58/33/23/520583323.db2.gz ZCHPCIILHHBNTK-INIZCTEOSA-N 0 3 354.834 2.906 20 5 FFBDHN CCCN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000592828294 520604867 /nfs/dbraw/zinc/60/48/67/520604867.db2.gz FTKGOMYYCHYDCN-AWEZNQCLSA-N 0 3 369.849 2.960 20 5 FFBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000595665958 520633719 /nfs/dbraw/zinc/63/37/19/520633719.db2.gz ZBLOKADGQHDWLD-OAHLLOKOSA-N 0 3 373.457 2.791 20 5 FFBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@H](n1cncn1)C(F)(F)F ZINC000601144374 520657256 /nfs/dbraw/zinc/65/72/56/520657256.db2.gz SSSTZLDWAAGRHX-RCGFYWBFSA-N 0 3 355.320 2.983 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000595772416 520712838 /nfs/dbraw/zinc/71/28/38/520712838.db2.gz SNXZNQLEWZDMSO-YJBOKZPZSA-N 0 3 371.441 2.576 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]2CCC[C@H]2Cc2cnn(C)c2)c1 ZINC000595772381 520713454 /nfs/dbraw/zinc/71/34/54/520713454.db2.gz RXUFNRFGTZRKDF-WMLDXEAASA-N 0 3 372.425 2.616 20 5 FFBDHN CC(C)[C@H]1CN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CCN1 ZINC000598575676 520719534 /nfs/dbraw/zinc/71/95/34/520719534.db2.gz VRORNGKIOZUXOP-MRXNPFEDSA-N 0 3 354.410 2.727 20 5 FFBDHN COC(=O)c1ccnc(NC[C@@H](C)N(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000598595248 520732737 /nfs/dbraw/zinc/73/27/37/520732737.db2.gz HGYSOLPWSYFZIK-CYBMUJFWSA-N 0 3 358.398 2.709 20 5 FFBDHN CC[C@H](C)N[C@H](CNc1nccc(C(=O)OC)c1[N+](=O)[O-])c1ccco1 ZINC000598625410 520750462 /nfs/dbraw/zinc/75/04/62/520750462.db2.gz PNEFDRJWJQGTBB-WCQYABFASA-N 0 3 362.386 2.911 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC3CC2(c2ccccc2)C3)c1 ZINC000595909786 520815221 /nfs/dbraw/zinc/81/52/21/520815221.db2.gz DITIRONEOAJOCU-VDUSKEEQSA-N 0 3 354.406 2.956 20 5 FFBDHN O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000601589347 520853087 /nfs/dbraw/zinc/85/30/87/520853087.db2.gz BIUMZGQQPBHXCG-AWEZNQCLSA-N 0 3 359.357 2.553 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000610995343 520935690 /nfs/dbraw/zinc/93/56/90/520935690.db2.gz VMHXCINQZRTMNV-DOTOQJQBSA-N 0 3 372.469 2.790 20 5 FFBDHN CN(C(=O)c1c(Br)cccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000598954214 520941153 /nfs/dbraw/zinc/94/11/53/520941153.db2.gz PNYRJDSJVYVEOH-UHFFFAOYSA-N 0 3 356.220 2.524 20 5 FFBDHN CN1CCC(n2cc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)cn2)CC1 ZINC000601770362 520942917 /nfs/dbraw/zinc/94/29/17/520942917.db2.gz DNBFNRZLVAAOMW-UHFFFAOYSA-N 0 3 363.805 2.964 20 5 FFBDHN CCOC(=O)c1[nH]c(C)c(CNCCOc2ccc([N+](=O)[O-])cc2)c1C ZINC000598959847 520944085 /nfs/dbraw/zinc/94/40/85/520944085.db2.gz HKOCPIOCQJFCSS-UHFFFAOYSA-N 0 3 361.398 2.885 20 5 FFBDHN C[C@@H](C(=O)Nc1cnn(C2CCN(C)CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000601779452 520947373 /nfs/dbraw/zinc/94/73/73/520947373.db2.gz RTKRLIAJUBGYRB-CYBMUJFWSA-N 0 3 357.414 2.800 20 5 FFBDHN CCN1CCC(NC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000598978326 520956250 /nfs/dbraw/zinc/95/62/50/520956250.db2.gz MVSWNXMYZUTAKC-UHFFFAOYSA-N 0 3 356.220 2.571 20 5 FFBDHN O=[N+]([O-])c1ccc2nc(N3CCC(N4CCCOCC4)CC3)ccc2c1 ZINC000596269715 521002519 /nfs/dbraw/zinc/00/25/19/521002519.db2.gz ZETNSJFDBAVAKJ-UHFFFAOYSA-N 0 3 356.426 2.834 20 5 FFBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NC[C@@H](n2cccn2)C(F)(F)F)n1 ZINC000599055567 521002965 /nfs/dbraw/zinc/00/29/65/521002965.db2.gz HVLPGVYBPRXWGI-YNEHKIRRSA-N 0 3 372.351 2.865 20 5 FFBDHN COc1ccc(CN2CC[C@]3(C2)C(=O)Nc2ccccc23)cc1[N+](=O)[O-] ZINC000614584076 521035511 /nfs/dbraw/zinc/03/55/11/521035511.db2.gz YKVWZENQHJKYHV-LJQANCHMSA-N 0 3 353.378 2.699 20 5 FFBDHN CC(=O)c1ccc(NCc2ccc(CN3CC[C@H](O)C3)cc2)c([N+](=O)[O-])c1 ZINC000596423636 521063097 /nfs/dbraw/zinc/06/30/97/521063097.db2.gz MZTQXIZECOJUDZ-SFHVURJKSA-N 0 3 369.421 2.976 20 5 FFBDHN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000593560660 521078993 /nfs/dbraw/zinc/07/89/93/521078993.db2.gz WBNFYRAERDSOML-GXSJLCMTSA-N 0 3 372.303 2.579 20 5 FFBDHN COC(=O)c1cc(C)nc(N[C@@H](C)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000596488197 521095617 /nfs/dbraw/zinc/09/56/17/521095617.db2.gz OKEHPJFGXRGBNE-ZDUSSCGKSA-N 0 3 350.419 2.617 20 5 FFBDHN C[S@](=O)c1ccc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000618571900 521129365 /nfs/dbraw/zinc/12/93/65/521129365.db2.gz NHHSROLLOHXJJM-TWKFVSLJSA-N 0 3 362.455 2.802 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000596624211 521171861 /nfs/dbraw/zinc/17/18/61/521171861.db2.gz IAGSWQKFXYCDSC-ZDUSSCGKSA-N 0 3 350.419 2.845 20 5 FFBDHN COc1cc(N2C[C@@H](N3CCCC3)[C@@H](SC)C2)c(F)cc1[N+](=O)[O-] ZINC000614978052 521218564 /nfs/dbraw/zinc/21/85/64/521218564.db2.gz VBGXQPUXRRERRB-ZBFHGGJFSA-N 0 3 355.435 2.759 20 5 FFBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)CCN2CCCCC2)cc1OC ZINC000593882891 521270560 /nfs/dbraw/zinc/27/05/60/521270560.db2.gz KZUSDXSWAUTFHY-UHFFFAOYSA-N 0 3 365.430 2.560 20 5 FFBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cnn(CCN(C)C)c1 ZINC000615193529 521307469 /nfs/dbraw/zinc/30/74/69/521307469.db2.gz COGAITUJQYOPTK-UHFFFAOYSA-N 0 3 351.794 2.567 20 5 FFBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000599617328 521335041 /nfs/dbraw/zinc/33/50/41/521335041.db2.gz KQSVJFPZVNLJIV-UHFFFAOYSA-N 0 3 356.382 2.741 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000596867963 521343138 /nfs/dbraw/zinc/34/31/38/521343138.db2.gz UPVIVAPRHVZGED-OAHLLOKOSA-N 0 3 362.430 2.586 20 5 FFBDHN COC(=O)[C@](C)(NC[C@H]1CCCCN1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000599651140 521361151 /nfs/dbraw/zinc/36/11/51/521361151.db2.gz HGTMWXDGPBRPEN-IEBWSBKVSA-N 0 3 363.458 2.836 20 5 FFBDHN CCC(C)(C)N1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000594054612 521376698 /nfs/dbraw/zinc/37/66/98/521376698.db2.gz IVVXHMATVWBVBG-UHFFFAOYSA-N 0 3 350.419 2.942 20 5 FFBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599664462 521377213 /nfs/dbraw/zinc/37/72/13/521377213.db2.gz NVPYQZDHSCTMJX-SKDRFNHKSA-N 0 3 368.231 2.570 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000602778078 521527769 /nfs/dbraw/zinc/52/77/69/521527769.db2.gz DXRFWIUEOUMKKH-OAHLLOKOSA-N 0 3 372.347 2.616 20 5 FFBDHN Cc1ncc(CNC(=O)CCNC(C)(C)c2ccccc2[N+](=O)[O-])s1 ZINC000602835492 521560766 /nfs/dbraw/zinc/56/07/66/521560766.db2.gz BUHYBPNFAPDMSL-UHFFFAOYSA-N 0 3 362.455 2.891 20 5 FFBDHN CCOC(=O)[C@@]1(C)CCC[C@@H]1NCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000597241608 521591917 /nfs/dbraw/zinc/59/19/17/521591917.db2.gz UJZDPXKSQFEMID-WMZOPIPTSA-N 0 3 366.414 2.824 20 5 FFBDHN COC(=O)COc1ccc(CNC(C)(C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000616094532 521620845 /nfs/dbraw/zinc/62/08/45/521620845.db2.gz BSYKYNAEABJGTF-UHFFFAOYSA-N 0 3 364.320 2.967 20 5 FFBDHN CCCN1CC[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000619895827 521933090 /nfs/dbraw/zinc/93/30/90/521933090.db2.gz NWOGCCRCMHEULR-INIZCTEOSA-N 0 3 363.461 2.755 20 5 FFBDHN C[C@H]1Oc2ccccc2OC1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000517405937 562089158 /nfs/dbraw/zinc/08/91/58/562089158.db2.gz LBVNWTVZFTUBES-RFAUZJTJSA-N 0 3 354.322 2.638 20 5 FFBDHN C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@@H]1c1ccccc1 ZINC000826028547 607967987 /nfs/dbraw/zinc/96/79/87/607967987.db2.gz CBLQFYPAKILVJE-SJORKVTESA-N 0 3 365.397 2.632 20 5 FFBDHN C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@@H]1c1ccccc1 ZINC000826028547 607967988 /nfs/dbraw/zinc/96/79/88/607967988.db2.gz CBLQFYPAKILVJE-SJORKVTESA-N 0 3 365.397 2.632 20 5 FFBDHN C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@@H]1c1ccccc1 ZINC000826028547 607967989 /nfs/dbraw/zinc/96/79/89/607967989.db2.gz CBLQFYPAKILVJE-SJORKVTESA-N 0 3 365.397 2.632 20 5 FFBDHN C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@@H]1c1ccccc1 ZINC000826028547 607967990 /nfs/dbraw/zinc/96/79/90/607967990.db2.gz CBLQFYPAKILVJE-SJORKVTESA-N 0 3 365.397 2.632 20 5 FFBDHN C[C@H](OC(=O)C1CC[C@@H](C(F)(F)F)NC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000253358398 729625559 /nfs/dbraw/zinc/62/55/59/729625559.db2.gz OREIZJAEHQZNDS-UWJYBYFXSA-N 0 3 360.288 2.656 20 5 FFBDHN CS[C@@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000779351974 738457676 /nfs/dbraw/zinc/45/76/76/738457676.db2.gz XFJAALOPDCZVBJ-CHWSQXEVSA-N 0 3 358.851 2.758 20 5 FFBDHN C[C@H](NCC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872119312 731731358 /nfs/dbraw/zinc/73/13/58/731731358.db2.gz PQLQFTNSKPSOKE-WODVXLOZSA-N 0 3 356.419 2.740 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1CCC2(CCOCC2)O1 ZINC000927022258 738682333 /nfs/dbraw/zinc/68/23/33/738682333.db2.gz YTMKGOPIYMCCHX-ZFWWWQNUSA-N 0 3 350.415 2.982 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1CC[C@]2(CO[C@H](C)C2)O1 ZINC000886768945 733829335 /nfs/dbraw/zinc/82/93/35/733829335.db2.gz LUDFCKACIPBJKB-SDCOAXJVSA-N 0 3 350.415 2.981 20 5 FFBDHN CCOC(=O)CCC1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000750117387 735770870 /nfs/dbraw/zinc/77/08/70/735770870.db2.gz VRVDTZBLJDXBLJ-QGZVFWFLSA-N 0 3 350.415 2.684 20 5 FFBDHN C[C@H]1CCCN1CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000770295605 737613333 /nfs/dbraw/zinc/61/33/33/737613333.db2.gz ATOLAICYPQGGOC-JTQLQIEISA-N 0 3 356.220 2.571 20 5 FFBDHN CSCc1ccc(CN[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000921747760 738036825 /nfs/dbraw/zinc/03/68/25/738036825.db2.gz ZIHGGHOOKVFLOI-ROUUACIJSA-N 0 3 362.451 2.642 20 5 FFBDHN Cc1cc(OS(=O)(=O)c2ccc(CN(C)C)cc2)c(F)cc1[N+](=O)[O-] ZINC000788674183 739270832 /nfs/dbraw/zinc/27/08/32/739270832.db2.gz COPOWRTYJZSQPW-UHFFFAOYSA-N 0 3 368.386 2.872 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000932188050 739400765 /nfs/dbraw/zinc/40/07/65/739400765.db2.gz IKHFQGBEWJKCHE-ZDUSSCGKSA-N 0 3 361.471 2.925 20 5 FFBDHN CCCC[N@H+](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000809859997 741357056 /nfs/dbraw/zinc/35/70/56/741357056.db2.gz GBHKAEWJUGJLQF-LLVKDONJSA-N 0 3 363.867 2.647 20 5 FFBDHN CCCC[N@@H+](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000809859997 741357061 /nfs/dbraw/zinc/35/70/61/741357061.db2.gz GBHKAEWJUGJLQF-LLVKDONJSA-N 0 3 363.867 2.647 20 5 FFBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809916877 741360634 /nfs/dbraw/zinc/36/06/34/741360634.db2.gz WHQLSCLREGAYKI-LBPRGKRZSA-N 0 3 370.837 2.823 20 5 FFBDHN CCCc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1-c1cccc(Cl)c1 ZINC000813103530 741677212 /nfs/dbraw/zinc/67/72/12/741677212.db2.gz CZQZRQBHQSZIJM-JTQLQIEISA-N 0 3 352.778 2.695 20 5 FFBDHN Cc1cc(I)cc(C(=O)OCC(C)[N+](=O)[O-])c1C ZINC000813104782 741677266 /nfs/dbraw/zinc/67/72/66/741677266.db2.gz RRNSKBYWAMKTBD-MRVPVSSYSA-N 0 3 363.151 2.730 20 5 FFBDHN COC(=O)Nc1cc(C(=O)OCC(C)[N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000813106216 741677520 /nfs/dbraw/zinc/67/75/20/741677520.db2.gz AUOVMTOKUDUYTC-SSDOTTSWSA-N 0 3 350.249 2.706 20 5 FFBDHN CCN(C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000822138859 742701828 /nfs/dbraw/zinc/70/18/28/742701828.db2.gz MJZOSJCKYLVOIF-NSHDSACASA-N 0 3 371.235 2.915 20 5 FFBDHN CC(C)N1CC[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000839440444 746828787 /nfs/dbraw/zinc/82/87/87/746828787.db2.gz SQPZAIWMWWHZDD-NSHDSACASA-N 0 3 370.247 2.912 20 5 FFBDHN NC(=O)[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1c1ccccc1 ZINC000839640590 746878806 /nfs/dbraw/zinc/87/88/06/746878806.db2.gz KSCHMJIEHJLLKI-JKSUJKDBSA-N 0 3 359.813 2.949 20 5 FFBDHN C[C@H]1CN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000841160660 747283769 /nfs/dbraw/zinc/28/37/69/747283769.db2.gz DBRMCGALIGRFQF-IUCAKERBSA-N 0 3 357.208 2.571 20 5 FFBDHN COc1ccc(CSCC(=O)O[C@@H](C)CN2CCCC2)cc1[N+](=O)[O-] ZINC000845666113 748301013 /nfs/dbraw/zinc/30/10/13/748301013.db2.gz CGNADSGGVBHDTH-ZDUSSCGKSA-N 0 3 368.455 2.864 20 5 FFBDHN CC([C@@H](OC(=O)[C@H](C)NC(=O)C(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845873077 748340619 /nfs/dbraw/zinc/34/06/19/748340619.db2.gz RNTJZUIMINYMDD-COPLHBTASA-N 0 3 354.378 2.626 20 5 FFBDHN Cc1cc(COCC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])on1 ZINC000845884096 748344606 /nfs/dbraw/zinc/34/46/06/748344606.db2.gz XKNDLHKIXONWJY-BZNIZROVSA-N 0 3 352.318 2.588 20 5 FFBDHN CC[C@H]1CN(C)CCCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000846989823 748592940 /nfs/dbraw/zinc/59/29/40/748592940.db2.gz VYTWIKHTDCSHPF-LBPRGKRZSA-N 0 3 357.813 2.873 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(CCOC(C)C)CC2)c1C ZINC000896826964 971774663 /nfs/dbraw/zinc/77/46/63/971774663.db2.gz GZZWGAGPNIIENL-UHFFFAOYSA-N 0 3 363.458 2.831 20 5 FFBDHN C[C@@]1(NC[C@@H](O)COc2ccccc2[N+](=O)[O-])CCOc2ccccc21 ZINC000933367905 964202126 /nfs/dbraw/zinc/20/21/26/964202126.db2.gz ASOVOKYIKGFUAO-AUUYWEPGSA-N 0 3 358.394 2.622 20 5 FFBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000874847387 1013917711 /nfs/dbraw/zinc/91/77/11/1013917711.db2.gz PBMBBLHGKQLCHA-OALUTQOASA-N 0 3 372.469 2.894 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CN(C)CCN1CC2(C1)CCOCC2 ZINC000877765702 1014719439 /nfs/dbraw/zinc/71/94/39/1014719439.db2.gz OPQPGVGZFGQWCE-UHFFFAOYSA-N 0 3 363.458 2.538 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC([C@H](O)c2ccccc2C)CC1 ZINC000878607471 1015128634 /nfs/dbraw/zinc/12/86/34/1015128634.db2.gz XKFZIHSPYXWTCI-IBGZPJMESA-N 0 3 358.442 2.854 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@@]1(c3ccccc3)C[C@@H](O)C1)OCCO2 ZINC000922530466 988673792 /nfs/dbraw/zinc/67/37/92/988673792.db2.gz HIWQSBIXNCNJCL-UKIBZPOASA-N 0 3 370.405 2.548 20 5 FFBDHN C[C@H]1CCCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000918577714 990435981 /nfs/dbraw/zinc/43/59/81/990435981.db2.gz NWUVFSUMBNWUFZ-HNNXBMFYSA-N 0 3 360.458 2.657 20 5 FFBDHN CC(COC(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1)[N+](=O)[O-] ZINC000813101785 995615228 /nfs/dbraw/zinc/61/52/28/995615228.db2.gz IRKSEQUFDQRYSL-RHSMWYFYSA-N 0 3 372.377 2.863 20 5 FFBDHN CC(COC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813113460 995625282 /nfs/dbraw/zinc/62/52/82/995625282.db2.gz QEZSJVADDSBJBH-JHJVBQTASA-N 0 3 365.386 2.899 20 5 FFBDHN Cc1c(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000730786763 997481693 /nfs/dbraw/zinc/48/16/93/997481693.db2.gz RPXFWZCCAYYMKO-TXEJJXNPSA-N 0 3 364.402 2.804 20 5 FFBDHN C[C@@H]1CCC[C@H](C)N1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000731212815 997741841 /nfs/dbraw/zinc/74/18/41/997741841.db2.gz GBVBDSCDOSNTQE-IYBDPMFKSA-N 0 3 360.458 2.506 20 5 FFBDHN COc1cc(Cc2noc([C@@H]3CC[C@@H](C4CC4)N3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000844918488 998230557 /nfs/dbraw/zinc/23/05/57/998230557.db2.gz VGDAYKPAYPURLK-KBPBESRZSA-N 0 3 374.397 2.789 20 5 FFBDHN Cc1c(C(=O)NCCN(C)Cc2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000065419352 999933452 /nfs/dbraw/zinc/93/34/52/999933452.db2.gz LUWACPROAZBIDU-UHFFFAOYSA-N 0 3 372.381 2.673 20 5 FFBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCN(c3ccc(C(F)(F)F)cn3)CC2)C1 ZINC001169027829 1000016094 /nfs/dbraw/zinc/01/60/94/1000016094.db2.gz QXSKPKIKCMHBKF-OCCSQVGLSA-N 0 3 358.364 2.668 20 5 FFBDHN Cc1cc(N2CCN([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)n(-c2ccccc2)n1 ZINC001169038878 1000017013 /nfs/dbraw/zinc/01/70/13/1000017013.db2.gz LDMRZRZCQYGNNW-HKUYNNGSSA-N 0 3 369.469 2.748 20 5 FFBDHN CC(C)(CCC(=O)N1CCN(c2ccnc3ccccc32)CC1)[N+](=O)[O-] ZINC000846652488 1000400507 /nfs/dbraw/zinc/40/05/07/1000400507.db2.gz PKNNQPALYVXYOQ-UHFFFAOYSA-N 0 3 356.426 2.719 20 5 FFBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2nnc(-c3ccccc3)[nH]2)n1 ZINC000774316328 1001855858 /nfs/dbraw/zinc/85/58/58/1001855858.db2.gz SVJWDAKHELQWBT-HUUCEWRRSA-N 0 3 367.413 2.850 20 5 FFBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2nnc(-c3ccccc3)[nH]2)n1 ZINC000774316322 1001856893 /nfs/dbraw/zinc/85/68/93/1001856893.db2.gz SVJWDAKHELQWBT-GJZGRUSLSA-N 0 3 367.413 2.850 20 5 FFBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)N1CCC(C)CC1 ZINC000791214216 1002621904 /nfs/dbraw/zinc/62/19/04/1002621904.db2.gz BKQNUKKKURZPLL-ZDUSSCGKSA-N 0 3 366.437 2.650 20 5 FFBDHN COc1ccc(C[C@@H](C)N[C@H]2Cc3ccccc3NC2=O)c([N+](=O)[O-])c1 ZINC001170296643 1003089727 /nfs/dbraw/zinc/08/97/27/1003089727.db2.gz HFMPJJPELQXQCP-PXAZEXFGSA-N 0 3 355.394 2.687 20 5 FFBDHN COCCCCN1CCN([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170355487 1003122220 /nfs/dbraw/zinc/12/22/20/1003122220.db2.gz GQBXMCBSTYIUIZ-MRXNPFEDSA-N 0 3 365.474 2.579 20 5 FFBDHN CCOC(=O)[C@@H]1CCCN([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170345814 1003131498 /nfs/dbraw/zinc/13/14/98/1003131498.db2.gz MBWXYLOHGZJFMV-DZGCQCFKSA-N 0 3 350.415 2.810 20 5 FFBDHN CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000804562131 1003727122 /nfs/dbraw/zinc/72/71/22/1003727122.db2.gz FNLQTKPHNOHEOZ-QGZVFWFLSA-N 0 3 361.442 2.879 20 5 FFBDHN O=C(CNCC1(C2(O)CCC2)CCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001197681029 1004319943 /nfs/dbraw/zinc/31/99/43/1004319943.db2.gz FBSCFKVPQPDOCL-UHFFFAOYSA-N 0 3 367.833 2.862 20 5 FFBDHN COC(=O)N1CCC[C@H]([C@@H](C)NCc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000775819786 1004485200 /nfs/dbraw/zinc/48/52/00/1004485200.db2.gz QSYLQFCYWVUOMW-NEPJUHHUSA-N 0 3 369.393 2.699 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC1CN(C(=O)OC(C)(C)C)C1 ZINC001201833186 1005277067 /nfs/dbraw/zinc/27/70/67/1005277067.db2.gz LNKGNOPPHJAVCF-UHFFFAOYSA-N 0 3 365.430 2.950 20 5 FFBDHN CC(C)(C)C(=O)NC[C@@H]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776582266 1005963180 /nfs/dbraw/zinc/96/31/80/1005963180.db2.gz NPGYJZFWJWALEB-WMLDXEAASA-N 0 3 363.458 2.503 20 5 FFBDHN CC(C)N(C)Cc1cc(O[C@@H]2CCN(c3ccc([N+](=O)[O-])nc3)C2)ccn1 ZINC000856535096 1007874784 /nfs/dbraw/zinc/87/47/84/1007874784.db2.gz NNVOACDOPSZRDQ-GOSISDBHSA-N 0 3 371.441 2.883 20 5 FFBDHN CC(C)N(C)Cc1cc(O[C@@H]2CCN(c3ncccc3[N+](=O)[O-])C2)ccn1 ZINC000856535235 1007875731 /nfs/dbraw/zinc/87/57/31/1007875731.db2.gz SFNHNXYSPMAIKH-QGZVFWFLSA-N 0 3 371.441 2.883 20 5 FFBDHN CN(C)C(=O)Nc1cccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819103581 1008034621 /nfs/dbraw/zinc/03/46/21/1008034621.db2.gz ZJZZYJRLBPXUTO-QGZVFWFLSA-N 0 3 358.398 2.512 20 5 FFBDHN COCCOc1cc(C)ccc1CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819147305 1008043561 /nfs/dbraw/zinc/04/35/61/1008043561.db2.gz OJUVSGHMURLAQC-GOSISDBHSA-N 0 3 360.410 2.752 20 5 FFBDHN CCOCCn1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cn1 ZINC000857035547 1008044386 /nfs/dbraw/zinc/04/43/86/1008044386.db2.gz HXTISMOQOIUNER-LRDDRELGSA-N 0 3 365.361 2.622 20 5 FFBDHN Cc1ccc(O[C@H]2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000858040062 1008286435 /nfs/dbraw/zinc/28/64/35/1008286435.db2.gz BNWDDVQOAQCFAJ-KRWDZBQOSA-N 0 3 370.409 2.780 20 5 FFBDHN O=C(COc1ccccc1[N+](=O)[O-])O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000117094514 1008757442 /nfs/dbraw/zinc/75/74/42/1008757442.db2.gz AGTFTAGUWRUSAJ-MRXNPFEDSA-N 0 3 356.378 2.791 20 5 FFBDHN CC[C@H](CC(F)(F)F)NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC001178430957 1008970344 /nfs/dbraw/zinc/97/03/44/1008970344.db2.gz NBFCTGYNAXNYJR-LLVKDONJSA-N 0 3 364.320 2.967 20 5 FFBDHN C[C@@H](NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC000823961484 1009281601 /nfs/dbraw/zinc/28/16/01/1009281601.db2.gz FTHRGXAKNAXKCE-SJKOYZFVSA-N 0 3 357.414 2.990 20 5 FFBDHN Cc1ccc([C@H](C)NCc2ccc(N3CCN(C)CC3)nc2)cc1[N+](=O)[O-] ZINC000130484379 1009339588 /nfs/dbraw/zinc/33/95/88/1009339588.db2.gz LHLRBZYCQYMGTO-INIZCTEOSA-N 0 3 369.469 2.901 20 5 FFBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000794589868 1010410218 /nfs/dbraw/zinc/41/02/18/1010410218.db2.gz BUKFSCJKFAHANU-AIADIJKESA-N 0 3 367.405 2.813 20 5 FFBDHN Cc1cc(CNC2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)on1 ZINC001173012413 1012184215 /nfs/dbraw/zinc/18/42/15/1012184215.db2.gz SHRIKLBWGOZXNL-UHFFFAOYSA-N 0 3 352.341 2.928 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCN3CCCC[C@H]3C2)c1F ZINC001173189893 1012332331 /nfs/dbraw/zinc/33/23/31/1012332331.db2.gz OIEMHPVDASRDTC-KBPBESRZSA-N 0 3 351.422 2.844 20 5 FFBDHN CN(CCc1nc(-c2ccccc2)no1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796387510 1012585212 /nfs/dbraw/zinc/58/52/12/1012585212.db2.gz CXOMTJBLBIZAGP-KRWDZBQOSA-N 0 3 368.393 2.853 20 5 FFBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@](CO)(c2ccccc2)C1 ZINC000801578482 1019133730 /nfs/dbraw/zinc/13/37/30/1019133730.db2.gz GXDUXKXILDJICP-FQEVSTJZSA-N 0 3 356.422 3.000 20 5 FFBDHN CN(C)CCN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000932210816 1020743642 /nfs/dbraw/zinc/74/36/42/1020743642.db2.gz LWLCUPYOLOMSQH-RTBURBONSA-N 0 3 368.437 2.684 20 5 FFBDHN COc1cc([C@H](C)NC[C@]2(c3cnn(C)c3)CCCO2)cc([N+](=O)[O-])c1 ZINC000903359893 1020803773 /nfs/dbraw/zinc/80/37/73/1020803773.db2.gz UCJFHJABBLCRJE-UGSOOPFHSA-N 0 3 360.414 2.693 20 5 FFBDHN CN(C)CCN(C(=O)c1cc2nsnc2c([N+](=O)[O-])c1)c1ccccc1 ZINC000778251447 1021276049 /nfs/dbraw/zinc/27/60/49/1021276049.db2.gz AWXHUGUFVUQCQW-UHFFFAOYSA-N 0 3 371.422 2.808 20 5 FFBDHN O=[N+]([O-])c1c2c(cc(Br)c1O[C@H]1CCNC[C@H]1F)CCC2 ZINC001218071406 1032980213 /nfs/dbraw/zinc/98/02/13/1032980213.db2.gz PIDLFENLDMDATB-NEPJUHHUSA-N 0 3 359.195 2.925 20 5 FFBDHN CCOC(=O)Cc1ccc([N+](=O)[O-])c(O[C@@H]2CNCc3ccccc32)c1 ZINC001218492832 1033180480 /nfs/dbraw/zinc/18/04/80/1033180480.db2.gz DJQLNPDPEHCAGR-GOSISDBHSA-N 0 3 356.378 2.924 20 5 FFBDHN Cc1cc(C)cc([C@H](O)CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000245458952 1025435486 /nfs/dbraw/zinc/43/54/86/1025435486.db2.gz VCKYFGMYZQNWQK-SJLPKXTDSA-N 0 3 356.426 2.826 20 5 FFBDHN CCC(CC)Nc1ccncc1NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001141520132 1026508834 /nfs/dbraw/zinc/50/88/34/1026508834.db2.gz DSYBGKQSLJVGRA-UHFFFAOYSA-N 0 3 352.782 2.641 20 5 FFBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2C)C[C@@H]1N1CCCC1 ZINC001153677317 1027957280 /nfs/dbraw/zinc/95/72/80/1027957280.db2.gz YXFBYMLICMKMMV-HOTGVXAUSA-N 0 3 367.446 2.694 20 5 FFBDHN CC1(C)CCCN(CCNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC001155884789 1028958429 /nfs/dbraw/zinc/95/84/29/1028958429.db2.gz AROUKZDMMPXCCN-UHFFFAOYSA-N 0 3 372.828 2.821 20 5 FFBDHN Cc1cc(NC[C@H](O)COc2cccc(F)c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000782947149 1029861035 /nfs/dbraw/zinc/86/10/35/1029861035.db2.gz COZWSISWWOATFX-HNNXBMFYSA-N 0 3 371.368 2.864 20 5 FFBDHN O=[N+]([O-])c1ccc(-c2ncn(CN3CCC[C@H]3[C@@H]3CCCOC3)n2)cc1 ZINC000842613233 1030822266 /nfs/dbraw/zinc/82/22/66/1030822266.db2.gz BEIIXWLQJIEDCH-WBVHZDCISA-N 0 3 357.414 2.702 20 5 FFBDHN CC(COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21)[N+](=O)[O-] ZINC000842801344 1030963997 /nfs/dbraw/zinc/96/39/97/1030963997.db2.gz HMQXZLUICOFQQD-WFASDCNBSA-N 0 3 364.398 2.729 20 5 FFBDHN COc1cccc(CO[C@H]2CC[C@@H](N3CCOCC3)CC2)c1[N+](=O)[O-] ZINC001223810868 1033599977 /nfs/dbraw/zinc/59/99/77/1033599977.db2.gz MMWYCLKWSLTTFS-IYBDPMFKSA-N 0 3 350.415 2.763 20 5 FFBDHN O=C1NCCN(Cc2ccc3ccc4cccc5ccc2c3c45)C12CNC2 ZINC001235068910 1037339456 /nfs/dbraw/zinc/33/94/56/1037339456.db2.gz IYLCQPGGGSOPHN-UHFFFAOYSA-N 0 3 355.441 2.858 20 5 FFBDHN O=C1NCCN(Cc2c3ccccc3c3cc4ccccc4oc2-3)C12CNC2 ZINC001235068316 1037340787 /nfs/dbraw/zinc/34/07/87/1037340787.db2.gz FOUPMXHHVKYRTA-UHFFFAOYSA-N 0 3 371.440 2.965 20 5 FFBDHN Cn1ncc2cc(-c3noc(C[C@@H](N)c4ccccc4[N+](=O)[O-])n3)ccc21 ZINC001249342699 1040692125 /nfs/dbraw/zinc/69/21/25/1040692125.db2.gz QURMOOKZRPAIHO-CQSZACIVSA-N 0 3 364.365 2.774 20 5 FFBDHN COc1cc(C)nc(O[C@H]2CCN([C@H](C)Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC001254568511 1040806193 /nfs/dbraw/zinc/80/61/93/1040806193.db2.gz GKHPSJPTXJXPQF-ZBFHGGJFSA-N 0 3 372.425 2.786 20 5 FFBDHN C[C@@H]1CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001254608282 1040837335 /nfs/dbraw/zinc/83/73/35/1040837335.db2.gz QDSOAFDLRODBEM-JLZZUVOBSA-N 0 3 361.442 2.907 20 5 FFBDHN Cc1cc(O[C@@H]2CCCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)ncn1 ZINC001254610333 1040839036 /nfs/dbraw/zinc/83/90/36/1040839036.db2.gz JQOQRMZIKMLXIF-QZTJIDSGSA-N 0 3 354.410 2.704 20 5 FFBDHN CN(CCCN1CCN(C)CC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001262554881 1041717308 /nfs/dbraw/zinc/71/73/08/1041717308.db2.gz VLOGEAULNQUWHS-UHFFFAOYSA-N 0 3 360.380 2.687 20 5 FFBDHN COc1c(C)ccc(-c2nc(-c3ccc4c(n3)CCNC4)no2)c1[N+](=O)[O-] ZINC001216399413 1042017405 /nfs/dbraw/zinc/01/74/05/1042017405.db2.gz UMAPBSOWBVMMFX-UHFFFAOYSA-N 0 3 367.365 2.670 20 5 FFBDHN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC(C)(C)NC(C)(C)C2)cc1C ZINC001309960490 1043611216 /nfs/dbraw/zinc/61/12/16/1043611216.db2.gz PCXWTJCDZWBWID-UHFFFAOYSA-N 0 3 369.487 2.753 20 5 FFBDHN Cc1cncc([N+](=O)[O-])c1NCCCCN1CCN(c2ccccc2)CC1 ZINC001326362859 1046900042 /nfs/dbraw/zinc/90/00/42/1046900042.db2.gz NKZUKRQJCPLPCJ-UHFFFAOYSA-N 0 3 369.469 2.734 20 5 FFBDHN COc1c(O)ccc(CNCc2ccc(F)c(CN(C)C)c2)c1[N+](=O)[O-] ZINC001333743259 1049096398 /nfs/dbraw/zinc/09/63/98/1049096398.db2.gz WIBFZRJREMSZTG-UHFFFAOYSA-N 0 3 363.389 2.800 20 5 FFBDHN O=[N+]([O-])c1cc(-c2nc([C@@H]3CN4CCC3CC4)no2)ccc1-n1ccnc1 ZINC001342547522 1051150963 /nfs/dbraw/zinc/15/09/63/1051150963.db2.gz YXBGRFQQPXTSFG-CQSZACIVSA-N 0 3 366.381 2.640 20 5 FFBDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001542367788 1071219917 /nfs/dbraw/zinc/21/99/17/1071219917.db2.gz RZHYAOYFUBUSLS-UHFFFAOYSA-N 0 3 360.389 2.520 20 5 FFBDHN O=C(c1cccc([N+](=O)[O-])c1)N1C[C@H](C[C@@H]2COCCN2)c2ccccc21 ZINC001342875893 1051485039 /nfs/dbraw/zinc/48/50/39/1051485039.db2.gz OXFVDYBTSXVXIW-JKSUJKDBSA-N 0 3 367.405 2.717 20 5 FFBDHN CC[C@@H](c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC001306979638 1052230548 /nfs/dbraw/zinc/23/05/48/1052230548.db2.gz YJXHWPWUOSGKLG-SFHVURJKSA-N 0 3 368.437 2.967 20 5 FFBDHN O=C(c1cccc2c1OCCNC2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001343526420 1052284041 /nfs/dbraw/zinc/28/40/41/1052284041.db2.gz OKFRJKIQAGIEQS-UHFFFAOYSA-N 0 3 367.405 2.882 20 5 FFBDHN CC(=O)NC1CCC(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])CC1 ZINC001345232853 1052332911 /nfs/dbraw/zinc/33/29/11/1052332911.db2.gz JLVWYGGAGZBZQI-NIUAORQVSA-N 0 3 366.389 2.770 20 5 FFBDHN Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001444270495 1058290101 /nfs/dbraw/zinc/29/01/01/1058290101.db2.gz ZPBJCZHBZAOWGL-INIZCTEOSA-N 0 3 354.410 2.571 20 5 FFBDHN CSc1nccnc1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC001515654892 1059733502 /nfs/dbraw/zinc/73/35/02/1059733502.db2.gz WEMRBIYGSZDODG-RNCFNFMXSA-N 0 3 351.359 2.901 20 5 FFBDHN Cc1[nH]nc(C(=O)Nc2ccc(CN(C)C)c(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC001455650622 1059851583 /nfs/dbraw/zinc/85/15/83/1059851583.db2.gz QPNAKPZSGZEXOM-UHFFFAOYSA-N 0 3 371.319 2.959 20 5 FFBDHN O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1CN1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000848490364 1060146689 /nfs/dbraw/zinc/14/66/89/1060146689.db2.gz ZZLOHHNZLUQQRG-NZSAHSFTSA-N 0 3 373.453 2.759 20 5 FFBDHN Cc1c(NC(=O)N[C@@H]2CCN(C)[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC001466389166 1063419561 /nfs/dbraw/zinc/41/95/61/1063419561.db2.gz QGYUZBMVUBEFFF-MWLCHTKSSA-N 0 3 371.235 2.880 20 5 FFBDHN Cc1c(NC(=O)N[C@@H]2CCN(C)[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC001466389164 1063419804 /nfs/dbraw/zinc/41/98/04/1063419804.db2.gz QGYUZBMVUBEFFF-GXSJLCMTSA-N 0 3 371.235 2.880 20 5 FFBDHN C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001575969126 1078182801 /nfs/dbraw/zinc/18/28/01/1078182801.db2.gz IZGUHVWIDGVQFT-FRRDWIJNSA-N 0 3 359.434 2.553 20 5 FFBDHN C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001575969126 1078182802 /nfs/dbraw/zinc/18/28/02/1078182802.db2.gz IZGUHVWIDGVQFT-FRRDWIJNSA-N 0 3 359.434 2.553 20 5 FFBDHN C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001575969126 1078182803 /nfs/dbraw/zinc/18/28/03/1078182803.db2.gz IZGUHVWIDGVQFT-FRRDWIJNSA-N 0 3 359.434 2.553 20 5 FFBDHN C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001575969126 1078182804 /nfs/dbraw/zinc/18/28/04/1078182804.db2.gz IZGUHVWIDGVQFT-FRRDWIJNSA-N 0 3 359.434 2.553 20 5 FFBDHN CCCN(CCN1CCCCC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC001473461964 1065268213 /nfs/dbraw/zinc/26/82/13/1065268213.db2.gz CQRAWHODJBBLFW-LJQANCHMSA-N 0 3 374.485 2.898 20 5 FFBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@@H]1CCCCN1CCO ZINC001560841075 1076303581 /nfs/dbraw/zinc/30/35/81/1076303581.db2.gz IHSRIFZVUXUXHX-AWEZNQCLSA-N 0 3 361.364 2.550 20 5 FFBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CCCCN1C ZINC001585855717 1079506291 /nfs/dbraw/zinc/50/62/91/1079506291.db2.gz MKUDNGPTQJKGIS-DGCLKSJQSA-N 0 3 355.822 2.616 20 5 FFBDHN Cc1n[nH]c(C(=O)N[C@@H]2CCCCCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001587149032 1079745772 /nfs/dbraw/zinc/74/57/72/1079745772.db2.gz HBMUHJWYHVGBCA-MRXNPFEDSA-N 0 3 371.441 2.801 20 5 FFBDHN C[C@@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC001589876179 1080823391 /nfs/dbraw/zinc/82/33/91/1080823391.db2.gz PRYJXSYFIUPDEQ-ZDUSSCGKSA-N 0 3 367.413 2.707 20 5 FFBDHN C[C@@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC001589876179 1080823394 /nfs/dbraw/zinc/82/33/94/1080823394.db2.gz PRYJXSYFIUPDEQ-ZDUSSCGKSA-N 0 3 367.413 2.707 20 5 FFBDHN C[C@@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC001589876179 1080823396 /nfs/dbraw/zinc/82/33/96/1080823396.db2.gz PRYJXSYFIUPDEQ-ZDUSSCGKSA-N 0 3 367.413 2.707 20 5 FFBDHN C[C@@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC001589876179 1080823399 /nfs/dbraw/zinc/82/33/99/1080823399.db2.gz PRYJXSYFIUPDEQ-ZDUSSCGKSA-N 0 3 367.413 2.707 20 5 FFBDHN C[C@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC001589876178 1080823527 /nfs/dbraw/zinc/82/35/27/1080823527.db2.gz PRYJXSYFIUPDEQ-CYBMUJFWSA-N 0 3 367.413 2.707 20 5 FFBDHN C[C@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC001589876178 1080823531 /nfs/dbraw/zinc/82/35/31/1080823531.db2.gz PRYJXSYFIUPDEQ-CYBMUJFWSA-N 0 3 367.413 2.707 20 5 FFBDHN C[C@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC001589876178 1080823532 /nfs/dbraw/zinc/82/35/32/1080823532.db2.gz PRYJXSYFIUPDEQ-CYBMUJFWSA-N 0 3 367.413 2.707 20 5 FFBDHN C[C@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC001589876178 1080823536 /nfs/dbraw/zinc/82/35/36/1080823536.db2.gz PRYJXSYFIUPDEQ-CYBMUJFWSA-N 0 3 367.413 2.707 20 5 FFBDHN C[C@H]1C[C@@H](N2CCCC2)CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000285704539 257000379 /nfs/dbraw/zinc/00/03/79/257000379.db2.gz WCMFPMPFWJWKCZ-XJKSGUPXSA-N 0 3 357.414 2.703 20 5 FFBDHN COc1ccc([C@@H](CNCc2cccc([N+](=O)[O-])c2)N2CCOCC2)cc1 ZINC000061012999 249604354 /nfs/dbraw/zinc/60/43/54/249604354.db2.gz VEASWPILEPYSHC-HXUWFJFHSA-N 0 3 371.437 2.767 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000181188334 251255611 /nfs/dbraw/zinc/25/56/11/251255611.db2.gz QOTVUNXNUTWXRY-DZGCQCFKSA-N 0 3 354.410 2.570 20 5 FFBDHN C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1=CCN(C)CC1 ZINC000272621513 252082263 /nfs/dbraw/zinc/08/22/63/252082263.db2.gz ACMABCURDTYAEJ-JTQLQIEISA-N 0 3 357.332 2.994 20 5 FFBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000285755340 257003033 /nfs/dbraw/zinc/00/30/33/257003033.db2.gz ZBJSRIKNICGOLO-TZMCWYRMSA-N 0 3 366.849 2.745 20 5 FFBDHN CS[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1N1CCCC1 ZINC000275703299 256040295 /nfs/dbraw/zinc/04/02/95/256040295.db2.gz JSUVFDOGGPGLNC-GJZGRUSLSA-N 0 3 350.444 2.638 20 5 FFBDHN Cc1nc2sccn2c(=O)c1CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000285769738 257003754 /nfs/dbraw/zinc/00/37/54/257003754.db2.gz WSJNSPOQBJYJEM-LLVKDONJSA-N 0 3 358.423 2.866 20 5 FFBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000278937572 256364411 /nfs/dbraw/zinc/36/44/11/256364411.db2.gz XEFBOBNBIPATSI-MDJJKAFGSA-N 0 3 373.453 2.710 20 5 FFBDHN CN1CC=C(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000279108992 256382704 /nfs/dbraw/zinc/38/27/04/256382704.db2.gz VSZHUNMMZOMIRU-UHFFFAOYSA-N 0 3 372.347 2.675 20 5 FFBDHN C[C@@H]1C[C@H](N2CCCC2)CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000285544403 256991706 /nfs/dbraw/zinc/99/17/06/256991706.db2.gz LVDQHTCNXILCFN-CJNGLKHVSA-N 0 3 357.414 2.703 20 5 FFBDHN C[C@@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCN(C2CCC2)C1 ZINC000292062254 257455553 /nfs/dbraw/zinc/45/55/53/257455553.db2.gz WSLYUOXICPTSGL-HNNXBMFYSA-N 0 3 360.458 2.653 20 5 FFBDHN CCN1CCN([C@@H]2CCN(c3cc(C)nc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000302155551 258091570 /nfs/dbraw/zinc/09/15/70/258091570.db2.gz IRNZJNMKINTRAI-QGZVFWFLSA-N 0 3 369.469 2.668 20 5 FFBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCN1CC(C)(C)O ZINC000302474730 258103232 /nfs/dbraw/zinc/10/32/32/258103232.db2.gz DQPDCHALEXMLFJ-NSHDSACASA-N 0 3 361.364 2.895 20 5 FFBDHN CC(C)N1CCC[C@@H](CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301856877 258071305 /nfs/dbraw/zinc/07/13/05/258071305.db2.gz CGMOCXMMSVMWRN-ZDUSSCGKSA-N 0 3 355.460 2.531 20 5 FFBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000332075793 258212612 /nfs/dbraw/zinc/21/26/12/258212612.db2.gz FWQNKAQGXRRGMH-AAEUAGOBSA-N 0 3 369.368 2.895 20 5 FFBDHN COc1cc(CN2C[C@@H](SC)[C@H](N3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000332084504 258213212 /nfs/dbraw/zinc/21/32/12/258213212.db2.gz PUJGYSJWMUZYFR-NVXWUHKLSA-N 0 3 369.462 2.754 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](SC)[C@H](N2CCCC2)C1 ZINC000332106515 258214412 /nfs/dbraw/zinc/21/44/12/258214412.db2.gz ZPIIKNJTODOBAS-NVXWUHKLSA-N 0 3 351.472 2.615 20 5 FFBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000054224895 506518515 /nfs/dbraw/zinc/51/85/15/506518515.db2.gz OJGRFUAPHZESPR-HOCLYGCPSA-N 0 3 354.410 2.864 20 5 FFBDHN CC(C)(CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCCCC1 ZINC000042159667 506604839 /nfs/dbraw/zinc/60/48/39/506604839.db2.gz VRFYSNZKCQSKJL-UHFFFAOYSA-N 0 3 371.441 2.775 20 5 FFBDHN CC(C)NC(=O)c1ccc(N2CCN(C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000045026703 506908020 /nfs/dbraw/zinc/90/80/20/506908020.db2.gz UJGMRWGAKGSCDF-UHFFFAOYSA-N 0 3 360.458 2.798 20 5 FFBDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000067806197 507014443 /nfs/dbraw/zinc/01/44/43/507014443.db2.gz ZVXBHANBWNYIKO-KRWDZBQOSA-N 0 3 371.437 2.653 20 5 FFBDHN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@@H]1CN1CCCCC1 ZINC000068133303 507123750 /nfs/dbraw/zinc/12/37/50/507123750.db2.gz DSQKCHLYYHXZCE-CQSZACIVSA-N 0 3 362.386 2.594 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H]1CN1CCCCC1 ZINC000069077603 507398522 /nfs/dbraw/zinc/39/85/22/507398522.db2.gz NTORXRKDTBVQGT-INIZCTEOSA-N 0 3 360.458 2.792 20 5 FFBDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000058991609 507489501 /nfs/dbraw/zinc/48/95/01/507489501.db2.gz FFNQXTMGJJTVBB-UHFFFAOYSA-N 0 3 351.403 2.999 20 5 FFBDHN O=C(CCN1CC[C@@H](c2nc(C3CC3)no2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000375465378 512343340 /nfs/dbraw/zinc/34/33/40/512343340.db2.gz IGJLCMBWTGEASU-CYBMUJFWSA-N 0 3 371.397 2.673 20 5 FFBDHN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000051049556 507728084 /nfs/dbraw/zinc/72/80/84/507728084.db2.gz NQLVPFXVEBTJCG-HZPDHXFCSA-N 0 3 363.458 2.990 20 5 FFBDHN O=C(NC1CCN(C2CC2)CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000029091673 507757514 /nfs/dbraw/zinc/75/75/14/507757514.db2.gz IMEXXUKWMCXZMG-UHFFFAOYSA-N 0 3 358.442 2.552 20 5 FFBDHN CCN1CCC[C@H]1CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000051341618 507763038 /nfs/dbraw/zinc/76/30/38/507763038.db2.gz HZNYDNYNSCJMFG-AWEZNQCLSA-N 0 3 360.439 2.932 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](C)S[C@@H](C)C1 ZINC000072771428 507851447 /nfs/dbraw/zinc/85/14/47/507851447.db2.gz FKHIWZMUFBATFQ-RYUDHWBXSA-N 0 3 353.444 2.758 20 5 FFBDHN CCCCN1CCCC[C@@H]1CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000078650314 507893409 /nfs/dbraw/zinc/89/34/09/507893409.db2.gz MLRSGEFOAGABNJ-CYBMUJFWSA-N 0 3 359.430 2.898 20 5 FFBDHN CN(c1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1)C1CCN(C)CC1 ZINC000079147308 507938349 /nfs/dbraw/zinc/93/83/49/507938349.db2.gz STSWXBSKWFMHGB-UHFFFAOYSA-N 0 3 358.398 2.971 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000109434355 507962660 /nfs/dbraw/zinc/96/26/60/507962660.db2.gz SRVAJWNRKSXIOP-UHFFFAOYSA-N 0 3 350.419 2.942 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000110353431 508022966 /nfs/dbraw/zinc/02/29/66/508022966.db2.gz NZNVYASHWSGXEM-CQSZACIVSA-N 0 3 357.410 2.854 20 5 FFBDHN C[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000110351921 508023074 /nfs/dbraw/zinc/02/30/74/508023074.db2.gz PBBBQAADORGCAA-OAHLLOKOSA-N 0 3 357.410 2.610 20 5 FFBDHN CCN(CCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000101956829 508261776 /nfs/dbraw/zinc/26/17/76/508261776.db2.gz UDSAECPBUSEPIP-LLVKDONJSA-N 0 3 355.822 2.616 20 5 FFBDHN C[C@H]1CN(CCCCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000085457857 508309503 /nfs/dbraw/zinc/30/95/03/508309503.db2.gz STOVDBPNMBZSAO-STQMWFEESA-N 0 3 369.849 2.867 20 5 FFBDHN Cn1cc(CNC[C@](C)(O)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000114508636 508323298 /nfs/dbraw/zinc/32/32/98/508323298.db2.gz KIEGTHZDLKIHQF-FQEVSTJZSA-N 0 3 366.421 2.993 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000106317527 508399126 /nfs/dbraw/zinc/39/91/26/508399126.db2.gz JODBIPFOZHJHBQ-STQMWFEESA-N 0 3 350.419 2.845 20 5 FFBDHN C[C@H]1C[C@H](N(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCN1C ZINC000121869750 508437056 /nfs/dbraw/zinc/43/70/56/508437056.db2.gz AXTBWXRWQFSWJJ-GXFFZTMASA-N 0 3 370.247 2.912 20 5 FFBDHN O=[N+]([O-])c1cc(Cl)ccc1CN1CCC(CN2CCOCC2)CC1 ZINC000116276849 508493415 /nfs/dbraw/zinc/49/34/15/508493415.db2.gz MBJSWHLMVATIPB-UHFFFAOYSA-N 0 3 353.850 2.792 20 5 FFBDHN CN(c1ccccc1)c1ccc(CN2CC[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000157071569 508518995 /nfs/dbraw/zinc/51/89/95/508518995.db2.gz DKAKDNPOTBOWCM-OAHLLOKOSA-N 0 3 354.410 2.670 20 5 FFBDHN Cc1c(C(=O)N(CCN(C)C)Cc2cccc(O)c2)cccc1[N+](=O)[O-] ZINC000157278890 508546111 /nfs/dbraw/zinc/54/61/11/508546111.db2.gz XJJGOWGSKYVPTB-UHFFFAOYSA-N 0 3 357.410 2.813 20 5 FFBDHN CN(C)CCOc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000122781335 508585534 /nfs/dbraw/zinc/58/55/34/508585534.db2.gz CBIGQCVDFLOHKT-UHFFFAOYSA-N 0 3 361.373 2.604 20 5 FFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N(CCN(C)C)C1CCCC1 ZINC000123022175 508623281 /nfs/dbraw/zinc/62/32/81/508623281.db2.gz VSVYGKVNPFXDNW-UHFFFAOYSA-N 0 3 350.419 2.942 20 5 FFBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)N1CCC(C)CC1 ZINC000128832103 508649191 /nfs/dbraw/zinc/64/91/91/508649191.db2.gz IXNNSHGDKKTIEQ-CQSZACIVSA-N 0 3 356.426 2.993 20 5 FFBDHN Cc1cc(NC(=O)N(CCN(C)C)Cc2ccccn2)ccc1[N+](=O)[O-] ZINC000153815194 508655033 /nfs/dbraw/zinc/65/50/33/508655033.db2.gz QCXUNQMHNWPOLP-UHFFFAOYSA-N 0 3 357.414 2.894 20 5 FFBDHN CCC[C@@H](C)NC(=O)[C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000153825482 508657357 /nfs/dbraw/zinc/65/73/57/508657357.db2.gz WTLIIOIYQAAPKG-HFTRVMKXSA-N 0 3 363.458 2.645 20 5 FFBDHN CCOc1cc(C(=O)N[C@@H](CC(C)C)CN(C)C)c([N+](=O)[O-])cc1OC ZINC000128912845 508658950 /nfs/dbraw/zinc/65/89/50/508658950.db2.gz AWSGEWSRWVDKFN-ZDUSSCGKSA-N 0 3 367.446 2.708 20 5 FFBDHN C[C@H]1C[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CN1C1CC1 ZINC000123436372 508686640 /nfs/dbraw/zinc/68/66/40/508686640.db2.gz DCBZCEJZKQHZFA-DZGCQCFKSA-N 0 3 358.442 2.894 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1cccnc1N1CCN(C)CC1 ZINC000158482215 508710483 /nfs/dbraw/zinc/71/04/83/508710483.db2.gz RSLXCLSVSPARSI-INIZCTEOSA-N 0 3 369.469 2.901 20 5 FFBDHN CCN1CCC(NC(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000159078763 508789858 /nfs/dbraw/zinc/78/98/58/508789858.db2.gz QRNYIAGWYHPMOU-UHFFFAOYSA-N 0 3 356.220 2.571 20 5 FFBDHN COc1cc(CN(C)C[C@@H](C)O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000130738032 508839131 /nfs/dbraw/zinc/83/91/31/508839131.db2.gz XMEUUXZJKJJXCK-CQSZACIVSA-N 0 3 360.410 2.995 20 5 FFBDHN CCCN1CCC(N(C)S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000119909704 508888658 /nfs/dbraw/zinc/88/86/58/508888658.db2.gz IPUFUJACHZCJKT-UHFFFAOYSA-N 0 3 369.487 2.707 20 5 FFBDHN CC(=O)Nc1c[nH]nc1[C@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000369473700 512426606 /nfs/dbraw/zinc/42/66/06/512426606.db2.gz XGMNYSVRWYMINC-HNNXBMFYSA-N 0 3 357.414 2.698 20 5 FFBDHN COc1ccc([C@@H]2CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000155238942 508955512 /nfs/dbraw/zinc/95/55/12/508955512.db2.gz UFZISRMOIQPULF-AEFFLSMTSA-N 0 3 372.421 2.833 20 5 FFBDHN COc1cc(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)ccc1[N+](=O)[O-] ZINC000160743386 509027544 /nfs/dbraw/zinc/02/75/44/509027544.db2.gz LIFZWOUIBWTUEW-INIZCTEOSA-N 0 3 357.410 2.506 20 5 FFBDHN CN(CC1CCN(C)CC1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000120774640 509062495 /nfs/dbraw/zinc/06/24/95/509062495.db2.gz FDJIOEVLGOQQBM-UHFFFAOYSA-N 0 3 370.247 2.771 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](Oc2ccncc2)C1 ZINC000156321246 509159665 /nfs/dbraw/zinc/15/96/65/509159665.db2.gz CSMOOTNPRSLFMV-KRWDZBQOSA-N 0 3 370.409 2.780 20 5 FFBDHN COC(=O)[C@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C ZINC000191837912 509205715 /nfs/dbraw/zinc/20/57/15/509205715.db2.gz SMTIKIQJZILMKB-CJNGLKHVSA-N 0 3 373.409 2.923 20 5 FFBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc2c(c1)CNC2 ZINC000188702476 509222663 /nfs/dbraw/zinc/22/26/63/509222663.db2.gz HUZIVSPOXBZKPS-GFCCVEGCSA-N 0 3 357.435 2.995 20 5 FFBDHN COc1cccc(CN(CCN(C)C)C(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000191952707 509261159 /nfs/dbraw/zinc/26/11/59/509261159.db2.gz UKZQAVLZADOSCZ-UHFFFAOYSA-N 0 3 363.439 2.869 20 5 FFBDHN COc1ccc(NC(=O)CCN2CCC[C@H](c3ncc[nH]3)C2)c([N+](=O)[O-])c1 ZINC000266944798 509270448 /nfs/dbraw/zinc/27/04/48/509270448.db2.gz SIDKHURHZWKAPR-ZDUSSCGKSA-N 0 3 373.413 2.535 20 5 FFBDHN O=[N+]([O-])c1ccn(CCN[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000192079589 509336864 /nfs/dbraw/zinc/33/68/64/509336864.db2.gz KXRHUMHYCWCOSD-ZFWWWQNUSA-N 0 3 354.769 2.704 20 5 FFBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000173076829 509381396 /nfs/dbraw/zinc/38/13/96/509381396.db2.gz YAHSBLFIPXHWHH-SFHVURJKSA-N 0 3 353.422 2.918 20 5 FFBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](N2CCCC2)C1 ZINC000229181530 509425175 /nfs/dbraw/zinc/42/51/75/509425175.db2.gz BNDYFRKGTIRYMI-GXTWGEPZSA-N 0 3 366.849 2.745 20 5 FFBDHN CN(CC1CCN(C)CC1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000186005032 509476110 /nfs/dbraw/zinc/47/61/10/509476110.db2.gz JSPZSLKTNATAKK-UHFFFAOYSA-N 0 3 354.838 2.731 20 5 FFBDHN O=C1CCCN1C[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000179557936 509510563 /nfs/dbraw/zinc/51/05/63/509510563.db2.gz IRIZWMSNVHNZEM-OALUTQOASA-N 0 3 369.421 2.582 20 5 FFBDHN COc1ccc(COC[C@@H](O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173356455 509550882 /nfs/dbraw/zinc/55/08/82/509550882.db2.gz RSNJFKYBUXDTRX-KDOFPFPSSA-N 0 3 360.410 2.832 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000248950491 509552193 /nfs/dbraw/zinc/55/21/93/509552193.db2.gz ZTLHAKWTCNYICR-MAUKXSAKSA-N 0 3 368.437 2.643 20 5 FFBDHN CCCc1n[nH]c(C(=O)N[C@H](C)CN(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000179711832 509587022 /nfs/dbraw/zinc/58/70/22/509587022.db2.gz YJXPWCKUIGFVIK-CYBMUJFWSA-N 0 3 359.430 2.521 20 5 FFBDHN O=C(CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccc(F)cc1 ZINC000173467645 509619616 /nfs/dbraw/zinc/61/96/16/509619616.db2.gz UKXGHSJTYRPTBT-OAHLLOKOSA-N 0 3 373.388 2.644 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(OCCN(C)C)cc2)c1 ZINC000173474548 509624221 /nfs/dbraw/zinc/62/42/21/509624221.db2.gz ZDWLWFMKHCOSID-UHFFFAOYSA-N 0 3 357.410 2.774 20 5 FFBDHN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCCNCC2)cc1 ZINC000237455078 509652038 /nfs/dbraw/zinc/65/20/38/509652038.db2.gz ZZYXXMBOLWXZBJ-UHFFFAOYSA-N 0 3 371.393 2.831 20 5 FFBDHN CC(C)C[C@@H]1OCCC[C@@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000186341329 509658700 /nfs/dbraw/zinc/65/87/00/509658700.db2.gz GJSAUCOYSDGTHT-WMZOPIPTSA-N 0 3 361.442 2.667 20 5 FFBDHN CCC(CC)[C@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)N(C)C ZINC000189630341 509671634 /nfs/dbraw/zinc/67/16/34/509671634.db2.gz ZJZDUXBHAVORPJ-HNNXBMFYSA-N 0 3 357.476 2.777 20 5 FFBDHN CCOCCCNC(=O)C1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183265954 509688366 /nfs/dbraw/zinc/68/83/66/509688366.db2.gz UROCQVQXOSTEFP-UHFFFAOYSA-N 0 3 363.458 2.658 20 5 FFBDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176850997 509725109 /nfs/dbraw/zinc/72/51/09/509725109.db2.gz RIKKJQFQADYVOD-HNNXBMFYSA-N 0 3 368.437 2.914 20 5 FFBDHN CCN(C)CCNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000264914914 509772437 /nfs/dbraw/zinc/77/24/37/509772437.db2.gz OEHHPRSEJWFLOV-AWEZNQCLSA-N 0 3 371.441 2.844 20 5 FFBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268193727 509806623 /nfs/dbraw/zinc/80/66/23/509806623.db2.gz XDHNLIMSHVXKGF-GFCCVEGCSA-N 0 3 354.838 2.731 20 5 FFBDHN C[C@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)N1[C@H](C)CC[C@@H]1C ZINC000245203393 509884930 /nfs/dbraw/zinc/88/49/30/509884930.db2.gz QMVYGVSLYOPTKB-OWCLPIDISA-N 0 3 360.458 2.505 20 5 FFBDHN O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H](CN1CCCC1)c1ccccc1 ZINC000183626977 509893446 /nfs/dbraw/zinc/89/34/46/509893446.db2.gz VMTBJUQVMALOFV-INIZCTEOSA-N 0 3 355.398 2.948 20 5 FFBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000245513758 509978324 /nfs/dbraw/zinc/97/83/24/509978324.db2.gz AVIAVTMAOGAVIG-JKSUJKDBSA-N 0 3 361.442 2.535 20 5 FFBDHN CCc1ccc(C(=O)N(CCN(C)C)Cc2ccccn2)cc1[N+](=O)[O-] ZINC000174204521 510000309 /nfs/dbraw/zinc/00/03/09/510000309.db2.gz NJMPDHLLIZRJQV-UHFFFAOYSA-N 0 3 356.426 2.756 20 5 FFBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)c1 ZINC000261647811 510013509 /nfs/dbraw/zinc/01/35/09/510013509.db2.gz GBUVQQRLUSKESA-JKSUJKDBSA-N 0 3 357.435 2.884 20 5 FFBDHN CN(C)[C@@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000193684586 510019235 /nfs/dbraw/zinc/01/92/35/510019235.db2.gz ABKDUMBARDVTDA-KRWDZBQOSA-N 0 3 357.410 2.783 20 5 FFBDHN CCc1n[nH]c(C(=O)NC[C@H](c2ccsc2)N(CC)CC)c1[N+](=O)[O-] ZINC000171371407 510112319 /nfs/dbraw/zinc/11/23/19/510112319.db2.gz XEKOLADQXJQPMG-CYBMUJFWSA-N 0 3 365.459 2.755 20 5 FFBDHN CN1CCC2(CC1)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1O2 ZINC000193953365 510146936 /nfs/dbraw/zinc/14/69/36/510146936.db2.gz ZJNXFNWNWORPNO-CQSZACIVSA-N 0 3 371.393 2.906 20 5 FFBDHN CN(Cc1cc(Cl)cc(Cl)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174738148 510282985 /nfs/dbraw/zinc/28/29/85/510282985.db2.gz KOUBFQZGGRINIC-CQSZACIVSA-N 0 3 359.213 2.591 20 5 FFBDHN C[C@@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)N(C)Cc1ccccc1 ZINC000181228505 510310917 /nfs/dbraw/zinc/31/09/17/510310917.db2.gz MWEOAZPNIUBPAL-ZDUSSCGKSA-N 0 3 371.393 2.574 20 5 FFBDHN C[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(N2CCOC2=O)c1 ZINC000181314190 510351140 /nfs/dbraw/zinc/35/11/40/510351140.db2.gz OWVGSMNLARDUMC-UGSOOPFHSA-N 0 3 371.393 2.936 20 5 FFBDHN CC[C@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000178000178 510368082 /nfs/dbraw/zinc/36/80/82/510368082.db2.gz QDVFDNDYTALWQS-AWEZNQCLSA-N 0 3 369.468 2.676 20 5 FFBDHN CC(C)[C@@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)N1CCN(C)CC1 ZINC000266138477 510429302 /nfs/dbraw/zinc/42/93/02/510429302.db2.gz GGEYHUYOVVJFTC-GOSISDBHSA-N 0 3 357.458 2.827 20 5 FFBDHN COC[C@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000181704099 510547355 /nfs/dbraw/zinc/54/73/55/510547355.db2.gz FGOFMUKMPFIEHH-KRWDZBQOSA-N 0 3 373.409 2.909 20 5 FFBDHN Cc1ccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c(CN(C)C)c1 ZINC000181904284 510650529 /nfs/dbraw/zinc/65/05/29/510650529.db2.gz CXXSUTPKFDLZLQ-UHFFFAOYSA-N 0 3 357.366 2.946 20 5 FFBDHN C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266549319 510652462 /nfs/dbraw/zinc/65/24/62/510652462.db2.gz SVIGGZLYSGGMNA-ABAIWWIYSA-N 0 3 372.347 2.864 20 5 FFBDHN Cc1cc(CN(C)C)cc(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])c1 ZINC000270362694 510777700 /nfs/dbraw/zinc/77/77/00/510777700.db2.gz HLHFSKLOVKNKGM-UHFFFAOYSA-N 0 3 371.393 2.795 20 5 FFBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(c2ccc(F)c(F)c2)CC1 ZINC000270460408 510876224 /nfs/dbraw/zinc/87/62/24/510876224.db2.gz AASFXAICGAREDF-UHFFFAOYSA-N 0 3 363.364 2.914 20 5 FFBDHN Cc1c(NC(=O)CCN2CCC[C@@H](c3ccnn3C)C2)cccc1[N+](=O)[O-] ZINC000360305682 510894358 /nfs/dbraw/zinc/89/43/58/510894358.db2.gz LSDPPFIOFGGIGM-OAHLLOKOSA-N 0 3 371.441 2.845 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](c2ccnn2C)C1 ZINC000360305649 510894399 /nfs/dbraw/zinc/89/43/99/510894399.db2.gz LBSMDANBLVZWNG-OAHLLOKOSA-N 0 3 371.441 2.845 20 5 FFBDHN CN1CC[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1c1ccccc1 ZINC000270607711 510922479 /nfs/dbraw/zinc/92/24/79/510922479.db2.gz DWFFNIBEBHYFFG-LPHOPBHVSA-N 0 3 373.384 2.674 20 5 FFBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000285659511 510998139 /nfs/dbraw/zinc/99/81/39/510998139.db2.gz FHTWSDWEKNXVEB-WMLDXEAASA-N 0 3 356.426 2.635 20 5 FFBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000271067860 511073779 /nfs/dbraw/zinc/07/37/79/511073779.db2.gz XLTQYMSQHCNSLY-CYBMUJFWSA-N 0 3 351.472 2.876 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(c2ccncn2)CC1 ZINC000298063755 511163810 /nfs/dbraw/zinc/16/38/10/511163810.db2.gz GNFYJFMFZIXWJJ-UHFFFAOYSA-N 0 3 369.425 2.901 20 5 FFBDHN COc1cc(C(=O)NC[C@@H](C)N2CCC(C)CC2)c([N+](=O)[O-])cc1F ZINC000294791151 511178143 /nfs/dbraw/zinc/17/81/43/511178143.db2.gz SSGRZRHVXVVYHU-GFCCVEGCSA-N 0 3 353.394 2.593 20 5 FFBDHN COc1cc(C(=O)NC[C@H](C)N2CCC(C)CC2)c([N+](=O)[O-])cc1F ZINC000294791158 511179611 /nfs/dbraw/zinc/17/96/11/511179611.db2.gz SSGRZRHVXVVYHU-LBPRGKRZSA-N 0 3 353.394 2.593 20 5 FFBDHN Cc1nc(N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)ncc1[N+](=O)[O-] ZINC000294827742 511190773 /nfs/dbraw/zinc/19/07/73/511190773.db2.gz AFKMDQVUJQZRTR-LJQANCHMSA-N 0 3 353.426 2.796 20 5 FFBDHN COc1cc(CN[C@@H](C)CC(C)(C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000295011380 511253206 /nfs/dbraw/zinc/25/32/06/511253206.db2.gz JMEVWHQWSHDZJK-JTQLQIEISA-N 0 3 362.373 2.886 20 5 FFBDHN COc1cc(CN[C@H](C)CCCCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000295027091 511256527 /nfs/dbraw/zinc/25/65/27/511256527.db2.gz LGGZVKYBMUKIND-LLVKDONJSA-N 0 3 362.373 2.888 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](CCO)c1ccccc1 ZINC000271846282 511345943 /nfs/dbraw/zinc/34/59/43/511345943.db2.gz ZECCEZIFJGIENV-INIZCTEOSA-N 0 3 373.409 2.645 20 5 FFBDHN CS[C@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1N(C)C ZINC000271985066 511392718 /nfs/dbraw/zinc/39/27/18/511392718.db2.gz FEPBSBRPNVPUPV-CVEARBPZSA-N 0 3 362.455 2.727 20 5 FFBDHN O=C(c1cc(N2CCN(C3CCCC3)CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000298771565 511405735 /nfs/dbraw/zinc/40/57/35/511405735.db2.gz IIFSNFWRVTZSPF-UHFFFAOYSA-N 0 3 372.469 2.895 20 5 FFBDHN CN1CCN(CC2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000299159790 511535637 /nfs/dbraw/zinc/53/56/37/511535637.db2.gz QLJAQGKALOWQLN-UHFFFAOYSA-N 0 3 352.866 2.712 20 5 FFBDHN CC[C@H](C)N1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000296025226 511593143 /nfs/dbraw/zinc/59/31/43/511593143.db2.gz MDAPKLXIVDYBJT-STQMWFEESA-N 0 3 368.865 2.991 20 5 FFBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COCC(F)(F)F ZINC000292509798 511623180 /nfs/dbraw/zinc/62/31/80/511623180.db2.gz TZYQHIQRXFNFEB-CQSZACIVSA-N 0 3 350.337 2.745 20 5 FFBDHN COc1ccc(NC(=O)CCN[C@@H](CCO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000299490901 511658141 /nfs/dbraw/zinc/65/81/41/511658141.db2.gz ATOGOFKJZLQVRU-INIZCTEOSA-N 0 3 373.409 2.645 20 5 FFBDHN CN(C)[C@H]1CCCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC000281029727 511694974 /nfs/dbraw/zinc/69/49/74/511694974.db2.gz VFDINUSLLXZBJL-HNNXBMFYSA-N 0 3 354.410 2.823 20 5 FFBDHN CN(C)CC1(NC(=O)c2sc(Br)cc2[N+](=O)[O-])CCC1 ZINC000281089842 511715512 /nfs/dbraw/zinc/71/55/12/511715512.db2.gz OXIGTWANLJOGLY-UHFFFAOYSA-N 0 3 362.249 2.633 20 5 FFBDHN CCOc1ccc([C@H](C)N[C@H](CO)C[C@@H](O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000284454137 511729435 /nfs/dbraw/zinc/72/94/35/511729435.db2.gz SRTPNSVCLBPFSL-RVSPLBMKSA-N 0 3 354.447 2.802 20 5 FFBDHN CC(C)NC(=O)c1ccc(N2CC[C@]3(C2)CCCN(C)C3)c([N+](=O)[O-])c1 ZINC000292846698 511742929 /nfs/dbraw/zinc/74/29/29/511742929.db2.gz QXVHQQSURHINPK-LJQANCHMSA-N 0 3 360.458 2.655 20 5 FFBDHN O=C(c1ccc([N+](=O)[O-])o1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000365999261 511775992 /nfs/dbraw/zinc/77/59/92/511775992.db2.gz YKJZLMUWTGVRJD-JKSUJKDBSA-N 0 3 355.394 2.782 20 5 FFBDHN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCN(C(C)C)C2)cc1OC ZINC000274460482 511842691 /nfs/dbraw/zinc/84/26/91/511842691.db2.gz JVDXWNQSEYREGW-CYBMUJFWSA-N 0 3 365.430 2.605 20 5 FFBDHN C[C@H](N[C@@H]1CCC[C@H]1CCO)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000284823325 511886130 /nfs/dbraw/zinc/88/61/30/511886130.db2.gz AGOBNISPPSGBRR-COPLHBTASA-N 0 3 355.822 2.716 20 5 FFBDHN COc1cccc(COC[C@H](O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000296840383 511919099 /nfs/dbraw/zinc/91/90/99/511919099.db2.gz XDOYRVVJPOKTJH-KBXCAEBGSA-N 0 3 360.410 2.832 20 5 FFBDHN Cc1cc(N2CCC[C@@H](N[C@H](C)c3ccc(N)c([N+](=O)[O-])c3)C2)n(C)n1 ZINC000284926111 511931052 /nfs/dbraw/zinc/93/10/52/511931052.db2.gz DHNYFQAZJXGZNU-UKRRQHHQSA-N 0 3 358.446 2.539 20 5 FFBDHN COc1ccccc1COC[C@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285155759 512019695 /nfs/dbraw/zinc/01/96/95/512019695.db2.gz AETMCWGNSXKFTJ-GOSISDBHSA-N 0 3 374.437 2.655 20 5 FFBDHN CN1CC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C2)C1 ZINC000293605345 512024306 /nfs/dbraw/zinc/02/43/06/512024306.db2.gz CHQPPDYUJNTJLA-HNNXBMFYSA-N 0 3 368.231 2.525 20 5 FFBDHN CCN1CCCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000371732563 512547658 /nfs/dbraw/zinc/54/76/58/512547658.db2.gz NMIXSKWVPMPJFB-GFCCVEGCSA-N 0 3 354.838 2.603 20 5 FFBDHN O=C(CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1)Nc1cccc(F)c1 ZINC000369683459 512552751 /nfs/dbraw/zinc/55/27/51/512552751.db2.gz LSGRPTNJEIYDRS-UHFFFAOYSA-N 0 3 361.377 2.596 20 5 FFBDHN O=C(CCN1CCc2ccccc2[C@H]1CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000411391523 512613737 /nfs/dbraw/zinc/61/37/37/512613737.db2.gz ORTXCJANUKAHGQ-GOSISDBHSA-N 0 3 355.394 2.515 20 5 FFBDHN C[C@H](NCCCN1C(=O)NC2(CCCCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000369887197 512665788 /nfs/dbraw/zinc/66/57/88/512665788.db2.gz JKEPNVRKQSBLJK-AWEZNQCLSA-N 0 3 374.441 2.890 20 5 FFBDHN CCc1n[nH]c(C(=O)NC[C@]2(C)CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000374164232 512686700 /nfs/dbraw/zinc/68/67/00/512686700.db2.gz RDZVXTPXTBMZGG-IBGZPJMESA-N 0 3 371.441 2.522 20 5 FFBDHN CNc1c(C(=O)NCCCN(C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000387602099 512892740 /nfs/dbraw/zinc/89/27/40/512892740.db2.gz KOEVRWPTMCZYBK-UHFFFAOYSA-N 0 3 356.426 2.888 20 5 FFBDHN NC(=O)[C@@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000411970738 512895955 /nfs/dbraw/zinc/89/59/55/512895955.db2.gz GTIABEQYUJLNCS-UONOGXRCSA-N 0 3 359.813 2.949 20 5 FFBDHN O=[N+]([O-])c1cccc(CNC[C@@H](O)COCc2ccc(Cl)cc2)c1 ZINC000391963462 512919921 /nfs/dbraw/zinc/91/99/21/512919921.db2.gz CSDUMLYAFFRIOE-QGZVFWFLSA-N 0 3 350.802 2.916 20 5 FFBDHN CS[C@H]1CN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000439756581 513176791 /nfs/dbraw/zinc/17/67/91/513176791.db2.gz LTXHPCHMTBRVOG-HOTGVXAUSA-N 0 3 351.472 2.836 20 5 FFBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000450409086 513180835 /nfs/dbraw/zinc/18/08/35/513180835.db2.gz XCAOGPHIRWMONA-CVEARBPZSA-N 0 3 362.455 2.633 20 5 FFBDHN CCC(CC)[C@H](CNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])N(C)C ZINC000440077605 513241574 /nfs/dbraw/zinc/24/15/74/513241574.db2.gz KEOZMYOBFNBHJD-HNNXBMFYSA-N 0 3 357.476 2.548 20 5 FFBDHN CNC(=O)[C@H]1CCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000421396792 513248220 /nfs/dbraw/zinc/24/82/20/513248220.db2.gz ZUKNAQAIQBEFMU-INIZCTEOSA-N 0 3 368.437 2.931 20 5 FFBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000429023179 513260229 /nfs/dbraw/zinc/26/02/29/513260229.db2.gz DOXPTPZECWZEIZ-FSZRXZPDSA-N 0 3 360.458 2.584 20 5 FFBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@]3(CCCc4ccccc43)C2)c1 ZINC000440326297 513294013 /nfs/dbraw/zinc/29/40/13/513294013.db2.gz MGKIUGDNHLQJON-AZUAARDMSA-N 0 3 370.453 2.522 20 5 FFBDHN C[C@]1(c2ccccc2)CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000446724219 513324362 /nfs/dbraw/zinc/32/43/62/513324362.db2.gz YOYRUSUELMFLGY-QUCCMNQESA-N 0 3 356.422 2.998 20 5 FFBDHN Cc1c(NC(=O)N2C[C@H](C)NC[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000415647246 513361588 /nfs/dbraw/zinc/36/15/88/513361588.db2.gz AKDNFIPNOJTKQS-DTWKUNHWSA-N 0 3 371.235 2.880 20 5 FFBDHN CN1C[C@@H]2CCCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000425061070 513395596 /nfs/dbraw/zinc/39/55/96/513395596.db2.gz XVECMHRFXVLARR-IINYFYTJSA-N 0 3 368.231 2.524 20 5 FFBDHN Cc1cc(OCC(=O)NCCCN(C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000430097152 513552006 /nfs/dbraw/zinc/55/20/06/513552006.db2.gz BBZIIGVOCMILBM-UHFFFAOYSA-N 0 3 371.437 2.920 20 5 FFBDHN CC1(C)NC(=O)CC[C@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000425439810 513567185 /nfs/dbraw/zinc/56/71/85/513567185.db2.gz CRZPWNFOCHOAFO-GFCCVEGCSA-N 0 3 356.220 2.504 20 5 FFBDHN CCOC(=O)c1ccnc(NC[C@H]2N(C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000447812384 513578608 /nfs/dbraw/zinc/57/86/08/513578608.db2.gz LMJSAHGLZVBCFB-CYBMUJFWSA-N 0 3 350.419 2.699 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)CCN1CCc2ccccc2C1 ZINC000416133498 513588586 /nfs/dbraw/zinc/58/85/86/513588586.db2.gz MWPCNVBBWIILQX-UHFFFAOYSA-N 0 3 369.421 2.668 20 5 FFBDHN O=[N+]([O-])c1ccc2[nH]c(CN[C@@H](C3CCOCC3)C3(CO)CCC3)nc2c1 ZINC000425552470 513636617 /nfs/dbraw/zinc/63/66/17/513636617.db2.gz ZHJZMPCCDVDVMG-SFHVURJKSA-N 0 3 374.441 2.519 20 5 FFBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CNCCC1(F)F ZINC000418752820 513640814 /nfs/dbraw/zinc/64/08/14/513640814.db2.gz UKMDPSILSRWOTM-AWEZNQCLSA-N 0 3 356.373 2.512 20 5 FFBDHN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)n(C2CCN(C)CC2)n1 ZINC000430429689 513651392 /nfs/dbraw/zinc/65/13/92/513651392.db2.gz JLFOYPXQMJIKDG-UHFFFAOYSA-N 0 3 357.414 2.927 20 5 FFBDHN O=[N+]([O-])c1ccn(CCN[C@@H](CCO)c2cccc(C(F)(F)F)c2)n1 ZINC000451301808 513664396 /nfs/dbraw/zinc/66/43/96/513664396.db2.gz CTQDSJUHYMTGQA-ZDUSSCGKSA-N 0 3 358.320 2.523 20 5 FFBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000442093155 513666024 /nfs/dbraw/zinc/66/60/24/513666024.db2.gz GZTSQHUJQJBKFJ-VNHYZAJKSA-N 0 3 369.487 2.548 20 5 FFBDHN O=[N+]([O-])c1cnc(NCC2(O)CCN(Cc3ccccc3)CC2)c(F)c1 ZINC000413554192 513711001 /nfs/dbraw/zinc/71/10/01/513711001.db2.gz PMOFTNJSMKRJCL-UHFFFAOYSA-N 0 3 360.389 2.568 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@@H]3[C@@H]3CCC[C@H]3O)n2)c1 ZINC000451420463 513739895 /nfs/dbraw/zinc/73/98/95/513739895.db2.gz PAHHYBSWNYBGRH-ARFHVFGLSA-N 0 3 358.398 2.770 20 5 FFBDHN CCOC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000451588814 513850002 /nfs/dbraw/zinc/85/00/02/513850002.db2.gz GTYAKOHIKCWTOH-ZBFHGGJFSA-N 0 3 363.414 2.553 20 5 FFBDHN CN(C[C@@H]1CCN(C)C1)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436426709 513852037 /nfs/dbraw/zinc/85/20/37/513852037.db2.gz XXBOSNMGUVYIPU-CYBMUJFWSA-N 0 3 367.424 2.844 20 5 FFBDHN O=C(CN[C@H]([C@@H](CO)C1CC1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451606913 513862847 /nfs/dbraw/zinc/86/28/47/513862847.db2.gz MGNYHAOOOVKLEX-GUYCJALGSA-N 0 3 367.833 2.573 20 5 FFBDHN CN(C)C1(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCC1 ZINC000426236158 513879881 /nfs/dbraw/zinc/87/98/81/513879881.db2.gz IPERHJOWRAGRGZ-UHFFFAOYSA-N 0 3 374.363 2.897 20 5 FFBDHN COc1cnccc1N1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000431436363 513898430 /nfs/dbraw/zinc/89/84/30/513898430.db2.gz SYDGRZHMDRDWAG-UHFFFAOYSA-N 0 3 371.397 2.661 20 5 FFBDHN COc1cc(C(=O)NCCN2[C@H](C)CCC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000448932285 513978325 /nfs/dbraw/zinc/97/83/25/513978325.db2.gz HSAWPQFBQBITMG-VXGBXAGGSA-N 0 3 353.394 2.735 20 5 FFBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448934724 513979781 /nfs/dbraw/zinc/97/97/81/513979781.db2.gz WTXJZFZBESZQPJ-GASCZTMLSA-N 0 3 361.442 2.937 20 5 FFBDHN CN1CCC[C@H](NC[C@@H](O)COc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000451870593 514034917 /nfs/dbraw/zinc/03/49/17/514034917.db2.gz PPJYZCKVEXDTBM-WBVHZDCISA-N 0 3 371.437 2.895 20 5 FFBDHN CCc1cc(N2C[C@H]3CCC[C@@H](C2)N3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420234202 514056701 /nfs/dbraw/zinc/05/67/01/514056701.db2.gz GWZQJHBDXPKTBL-IYBDPMFKSA-N 0 3 353.426 2.945 20 5 FFBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1ccc(S(C)(=O)=O)s1 ZINC000449272123 514140884 /nfs/dbraw/zinc/14/08/84/514140884.db2.gz KXJIVNSCVJYHLN-NSHDSACASA-N 0 3 354.453 2.781 20 5 FFBDHN COc1cccc([C@H]2C[C@H](N(C)CCn3cc([N+](=O)[O-])ccc3=O)C2)c1 ZINC000452021389 514140936 /nfs/dbraw/zinc/14/09/36/514140936.db2.gz SWPRWLCOEUNASF-JCNLHEQBSA-N 0 3 357.410 2.643 20 5 FFBDHN CCOC(=O)[C@@H]1CN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC12COC2 ZINC000449364323 514181237 /nfs/dbraw/zinc/18/12/37/514181237.db2.gz NSSKLQVIDNQGMD-VRXKTSEUSA-N 0 3 360.410 2.510 20 5 FFBDHN CN1CC=C(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC1 ZINC000444292593 514184132 /nfs/dbraw/zinc/18/41/32/514184132.db2.gz RXQWHHNCPQVJQW-UHFFFAOYSA-N 0 3 365.408 2.812 20 5 FFBDHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@@H]3CCCN3CCCO)o2)c1 ZINC000449385087 514189006 /nfs/dbraw/zinc/18/90/06/514189006.db2.gz DPDOCVNVCRAUJX-KRWDZBQOSA-N 0 3 359.426 2.791 20 5 FFBDHN CC(C)(C)[C@H](CN)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000423965733 514312195 /nfs/dbraw/zinc/31/21/95/514312195.db2.gz YQOVTBMEZNAQRC-SFHVURJKSA-N 0 3 351.450 2.644 20 5 FFBDHN Cc1cc(N(C)CCN2CCOC(C)(C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000432937107 514328494 /nfs/dbraw/zinc/32/84/94/514328494.db2.gz JEKFEHCYWGNULG-UHFFFAOYSA-N 0 3 358.442 2.998 20 5 FFBDHN CN(C)CCN(Cc1cccs1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000438469760 514385224 /nfs/dbraw/zinc/38/52/24/514385224.db2.gz XHZCBUURCVWYGQ-UHFFFAOYSA-N 0 3 351.403 2.999 20 5 FFBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000445086551 514408999 /nfs/dbraw/zinc/40/89/99/514408999.db2.gz TWDJIKKKTSQHGH-CHWSQXEVSA-N 0 3 374.445 2.533 20 5 FFBDHN COC(=O)COc1ccc(CNCC2(SC)CCC2)cc1[N+](=O)[O-] ZINC000433209211 514423546 /nfs/dbraw/zinc/42/35/46/514423546.db2.gz QDXZANWPJBUAFF-UHFFFAOYSA-N 0 3 354.428 2.522 20 5 FFBDHN CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC(OC(C)(C)C)C1 ZINC000420997620 514430439 /nfs/dbraw/zinc/43/04/39/514430439.db2.gz ACXPAYQUMHXREH-SHARSMKWSA-N 0 3 352.431 2.612 20 5 FFBDHN Cc1cc([C@@H](C)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000453082964 514539127 /nfs/dbraw/zinc/53/91/27/514539127.db2.gz JBQKYUCHQZCGCP-GFCCVEGCSA-N 0 3 369.468 2.594 20 5 FFBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000470822257 514628504 /nfs/dbraw/zinc/62/85/04/514628504.db2.gz QHMKBXQOYMJJDN-ZVZYQTTQSA-N 0 3 373.432 2.990 20 5 FFBDHN CCN(CC)[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)c1ccsc1 ZINC000502379571 514630130 /nfs/dbraw/zinc/63/01/30/514630130.db2.gz HXHTUHXLVQTJFY-CYBMUJFWSA-N 0 3 360.443 2.616 20 5 FFBDHN CNc1nc(C(=O)Nc2ccc(C)cc2OCCN(C)C)ccc1[N+](=O)[O-] ZINC000455709579 514696074 /nfs/dbraw/zinc/69/60/74/514696074.db2.gz HHRYFDLCASOKOC-UHFFFAOYSA-N 0 3 373.413 2.533 20 5 FFBDHN CN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000475546129 514711789 /nfs/dbraw/zinc/71/17/89/514711789.db2.gz GDPIUYZEDHPUPJ-KRWDZBQOSA-N 0 3 368.437 2.740 20 5 FFBDHN O=C(CCN1CCC(Oc2ccccn2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000471146238 514770096 /nfs/dbraw/zinc/77/00/96/514770096.db2.gz XVXHSXFJBHWDSL-UHFFFAOYSA-N 0 3 370.409 2.862 20 5 FFBDHN Cc1cc(N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000461971017 514811761 /nfs/dbraw/zinc/81/17/61/514811761.db2.gz GUGMQRFOGUIXBA-ZBFHGGJFSA-N 0 3 350.438 2.505 20 5 FFBDHN COc1c(C(=O)N2C[C@H](N(C)C)Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000475801765 514817245 /nfs/dbraw/zinc/81/72/45/514817245.db2.gz RTGNGVJPOKDNPE-CQSZACIVSA-N 0 3 355.394 2.737 20 5 FFBDHN CC(C)OCC[C@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000471551929 514926633 /nfs/dbraw/zinc/92/66/33/514926633.db2.gz QLRDCXAAUZZIHV-INIZCTEOSA-N 0 3 352.431 2.614 20 5 FFBDHN CC(C)N1CC[C@@H](N(C)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000458645592 514985346 /nfs/dbraw/zinc/98/53/46/514985346.db2.gz XPLOMMGFAGOTSG-OAHLLOKOSA-N 0 3 368.865 2.915 20 5 FFBDHN CCN1CCN([C@@H](C)CNc2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000509028056 514994951 /nfs/dbraw/zinc/99/49/51/514994951.db2.gz AAWFUBYBDWOWLA-LBPRGKRZSA-N 0 3 358.389 2.634 20 5 FFBDHN CC(C)OCCN1CCC(Nc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000509036823 514999155 /nfs/dbraw/zinc/99/91/55/514999155.db2.gz CJJCXOQOWQYSFQ-UHFFFAOYSA-N 0 3 359.430 2.839 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H]1CCC[C@H]1OC(F)F ZINC000503530382 515073205 /nfs/dbraw/zinc/07/32/05/515073205.db2.gz FKIIOWVVFOYXOL-GLXFQSAKSA-N 0 3 373.356 2.680 20 5 FFBDHN CCOC(=O)c1cc(NC[C@@]2(N(C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000467795822 515123690 /nfs/dbraw/zinc/12/36/90/515123690.db2.gz DBRGCKZWMWBQNS-INIZCTEOSA-N 0 3 353.444 2.621 20 5 FFBDHN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)CCN(C(C)C)C(C)C)c1C ZINC000503980534 515187919 /nfs/dbraw/zinc/18/79/19/515187919.db2.gz FYNAKUCTPCRIPK-UHFFFAOYSA-N 0 3 371.503 2.951 20 5 FFBDHN CCC(CC)(CC(=O)OC)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000472433778 515268801 /nfs/dbraw/zinc/26/88/01/515268801.db2.gz UMEYPYLUDIYZHJ-UHFFFAOYSA-N 0 3 371.821 2.898 20 5 FFBDHN CCOc1cc(NC(=O)NC(C)(C)CN(C)C)c([N+](=O)[O-])cc1OCC ZINC000454353259 515425256 /nfs/dbraw/zinc/42/52/56/515425256.db2.gz UJPOIWJKCBMSKS-UHFFFAOYSA-N 0 3 368.434 2.854 20 5 FFBDHN CC(C)OC1CC(N2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)C1 ZINC000459397917 515523937 /nfs/dbraw/zinc/52/39/37/515523937.db2.gz IAARUFDJJONYQF-UHFFFAOYSA-N 0 3 373.457 2.939 20 5 FFBDHN C[C@@H](NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000482073734 515567549 /nfs/dbraw/zinc/56/75/49/515567549.db2.gz GNZYDGPAIGQGET-CWTRNNRKSA-N 0 3 368.393 2.500 20 5 FFBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000510541905 515576497 /nfs/dbraw/zinc/57/64/97/515576497.db2.gz VOLBAZBSTUYZLL-LIRRHRJNSA-N 0 3 373.457 2.606 20 5 FFBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000457090284 515640734 /nfs/dbraw/zinc/64/07/34/515640734.db2.gz LXPWSOODHUSGTN-OAHLLOKOSA-N 0 3 357.414 2.540 20 5 FFBDHN CCOc1cc(C(=O)N(C)[C@H]2CCN(C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000457135113 515679042 /nfs/dbraw/zinc/67/90/42/515679042.db2.gz VZOIJTNUSJTHPC-ZDUSSCGKSA-N 0 3 365.430 2.557 20 5 FFBDHN C[C@@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000482526969 515708650 /nfs/dbraw/zinc/70/86/50/515708650.db2.gz HCUMGZRUNJYFLE-OAHLLOKOSA-N 0 3 362.451 2.837 20 5 FFBDHN Cc1ccc([C@H](C)NCCc2nnnn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000510975477 515733781 /nfs/dbraw/zinc/73/37/81/515733781.db2.gz CATFYJIEAJGRLR-AWEZNQCLSA-N 0 3 352.398 2.772 20 5 FFBDHN CCCCN1CCCC[C@@H]1CNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000478260053 515756710 /nfs/dbraw/zinc/75/67/10/515756710.db2.gz QNUZCTSPVKTNGR-CQSZACIVSA-N 0 3 350.419 2.843 20 5 FFBDHN COC(=O)c1cccc(OCCN(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000511073210 515766617 /nfs/dbraw/zinc/76/66/17/515766617.db2.gz IXBCGQHXBKPTRN-UHFFFAOYSA-N 0 3 358.394 2.935 20 5 FFBDHN CCOc1cc(N2CCN(CCCCCOC)CC2)ccc1[N+](=O)[O-] ZINC000482892905 515839471 /nfs/dbraw/zinc/83/94/71/515839471.db2.gz ZBLRVLWGHWXUPC-UHFFFAOYSA-N 0 3 351.447 2.932 20 5 FFBDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000469508708 515845785 /nfs/dbraw/zinc/84/57/85/515845785.db2.gz OSEYIXGCGREOMR-INIZCTEOSA-N 0 3 358.442 2.820 20 5 FFBDHN CCOc1ccc([C@H](C)NCCN2CCO[C@H](CC)C2)cc1[N+](=O)[O-] ZINC000494511711 515866071 /nfs/dbraw/zinc/86/60/71/515866071.db2.gz HMPFRBGQIJAAIA-GOEBONIOSA-N 0 3 351.447 2.755 20 5 FFBDHN Cc1cc(N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)ncc1[N+](=O)[O-] ZINC000474152232 515908246 /nfs/dbraw/zinc/90/82/46/515908246.db2.gz TZWLQGASRSYUCW-DLBZAZTESA-N 0 3 356.426 2.593 20 5 FFBDHN Cn1cnc([N+](=O)[O-])c1N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000474168362 515914194 /nfs/dbraw/zinc/91/41/94/515914194.db2.gz JPHKWWLBTNWWOC-IBGZPJMESA-N 0 3 355.442 2.821 20 5 FFBDHN CCOc1cc(CN2CCN(c3ccncc3OC)CC2)ccc1[N+](=O)[O-] ZINC000483220053 515992622 /nfs/dbraw/zinc/99/26/22/515992622.db2.gz NCEVVTOJBZBWMJ-UHFFFAOYSA-N 0 3 372.425 2.719 20 5 FFBDHN C[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(C)C1CC1 ZINC000494877565 515994978 /nfs/dbraw/zinc/99/49/78/515994978.db2.gz IFRCMLQRDKFDHS-JTQLQIEISA-N 0 3 374.363 2.896 20 5 FFBDHN COC(=O)COc1ccc(CN[C@@H]2C[C@@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000474369648 516015429 /nfs/dbraw/zinc/01/54/29/516015429.db2.gz JEKNYEBIMNDBBP-DLBZAZTESA-N 0 3 370.405 2.867 20 5 FFBDHN C[C@@H](CN1CCCCC1)NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000487898350 516022889 /nfs/dbraw/zinc/02/28/89/516022889.db2.gz PMPHRJDRVWDDNZ-ZDUSSCGKSA-N 0 3 368.865 2.964 20 5 FFBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000501450763 516109153 /nfs/dbraw/zinc/10/91/53/516109153.db2.gz XFZSNUSJUBUSDO-CABCVRRESA-N 0 3 358.442 2.786 20 5 FFBDHN CC1=CCC[C@H](C)[C@@H]1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000479435583 516192445 /nfs/dbraw/zinc/19/24/45/516192445.db2.gz GKLKQSRSABZSGJ-WMLDXEAASA-N 0 3 352.456 2.951 20 5 FFBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000512251901 516211982 /nfs/dbraw/zinc/21/19/82/516211982.db2.gz TZXVYABPDQIQKF-UHFFFAOYSA-N 0 3 357.410 2.774 20 5 FFBDHN CC(C)C[C@H](N)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000496224828 516245676 /nfs/dbraw/zinc/24/56/76/516245676.db2.gz UWVXACXKBOBZSP-NSHDSACASA-N 0 3 362.352 2.515 20 5 FFBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000488704096 516289630 /nfs/dbraw/zinc/28/96/30/516289630.db2.gz XYJNJBPPNLFLNA-UHFFFAOYSA-N 0 3 369.421 2.733 20 5 FFBDHN CCN(CCCN1CCC(n2ccc([N+](=O)[O-])n2)CC1)CC(F)(F)F ZINC000488713954 516291552 /nfs/dbraw/zinc/29/15/52/516291552.db2.gz MENGGKDOBXAPRF-UHFFFAOYSA-N 0 3 363.384 2.703 20 5 FFBDHN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000497402521 516319927 /nfs/dbraw/zinc/31/99/27/516319927.db2.gz UOBZKZQLIIBBQW-DOTOQJQBSA-N 0 3 364.405 2.904 20 5 FFBDHN CCCN(CCN1CCCCC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000557631652 516347970 /nfs/dbraw/zinc/34/79/70/516347970.db2.gz XHRUHTPGTXIGNJ-UHFFFAOYSA-N 0 3 352.410 2.654 20 5 FFBDHN CC[C@@H]1CN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C[C@@H](C)S1(=O)=O ZINC000557751244 516419948 /nfs/dbraw/zinc/41/99/48/516419948.db2.gz QURJNVNDZGXWRU-TZMCWYRMSA-N 0 3 363.439 2.853 20 5 FFBDHN CCCCN1CCCC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000523354779 516447943 /nfs/dbraw/zinc/44/79/43/516447943.db2.gz IXEYQYFSBJUTSA-ZDUSSCGKSA-N 0 3 352.410 2.701 20 5 FFBDHN COc1ccc(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000543926665 516499778 /nfs/dbraw/zinc/49/97/78/516499778.db2.gz OOENRKRYPYCDPY-HNNXBMFYSA-N 0 3 370.409 2.849 20 5 FFBDHN COc1ccccc1C[C@@H](C)N(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000544147272 516614526 /nfs/dbraw/zinc/61/45/26/516614526.db2.gz YSRSHCDXRVZLEY-NVXWUHKLSA-N 0 3 374.437 2.906 20 5 FFBDHN COc1ccc([C@H](CN(C)C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000551533857 516748430 /nfs/dbraw/zinc/74/84/30/516748430.db2.gz IUPYMLSRMYZAKS-KRWDZBQOSA-N 0 3 357.410 2.945 20 5 FFBDHN O=C(NCc1ccc(OCCN2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000524696091 516790850 /nfs/dbraw/zinc/79/08/50/516790850.db2.gz RXWQCUGIMHZBGZ-UHFFFAOYSA-N 0 3 369.421 2.999 20 5 FFBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000558596187 516828038 /nfs/dbraw/zinc/82/80/38/516828038.db2.gz JEGNBSLDVVCTBW-SJORKVTESA-N 0 3 368.437 2.527 20 5 FFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C[C@H]1C ZINC000544655994 516857237 /nfs/dbraw/zinc/85/72/37/516857237.db2.gz VGEJWRDABHVNSO-HIFRSBDPSA-N 0 3 369.487 2.705 20 5 FFBDHN COc1ccc(NC(=O)NC[C@H](C)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000541106688 516879942 /nfs/dbraw/zinc/87/99/42/516879942.db2.gz UPAHZQKNWVBKJU-OLZOCXBDSA-N 0 3 350.419 2.845 20 5 FFBDHN O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000514498712 516933966 /nfs/dbraw/zinc/93/39/66/516933966.db2.gz YTKXMOUMVLCQQO-GOSISDBHSA-N 0 3 353.422 2.918 20 5 FFBDHN COC(=O)c1cnc(N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000514752254 517037814 /nfs/dbraw/zinc/03/78/14/517037814.db2.gz QGEJOVSOYGFIOQ-CJNGLKHVSA-N 0 3 370.409 2.851 20 5 FFBDHN COC(=O)[C@H]1CCCC[C@@]1(C)NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000537273444 517119336 /nfs/dbraw/zinc/11/93/36/517119336.db2.gz JMOHNZSZJFOMPU-FZKQIMNGSA-N 0 3 363.414 2.553 20 5 FFBDHN O=[N+]([O-])c1cccc2ncnc(NCCCN3CCc4ccccc4C3)c21 ZINC000541578469 517122497 /nfs/dbraw/zinc/12/24/97/517122497.db2.gz NXPLFSQRSWPDID-UHFFFAOYSA-N 0 3 363.421 2.820 20 5 FFBDHN CC[C@@H](NC[C@@H](N1CCOCC1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000514956326 517143318 /nfs/dbraw/zinc/14/33/18/517143318.db2.gz CNGLEFLHOZKMST-HUUCEWRRSA-N 0 3 361.364 2.899 20 5 FFBDHN CCc1cccc(OC[C@H](O)CNCc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000555911502 517180095 /nfs/dbraw/zinc/18/00/95/517180095.db2.gz FBEGNWXMWUCWRS-MRXNPFEDSA-N 0 3 360.410 2.695 20 5 FFBDHN C[C@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])C(C)(C)CN(C)C ZINC000515100490 517211552 /nfs/dbraw/zinc/21/15/52/517211552.db2.gz AMRNLKAMTVSAOH-ZDUSSCGKSA-N 0 3 373.457 2.948 20 5 FFBDHN CS(=O)(=O)[C@@H]1CCC[C@@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000562603477 517226626 /nfs/dbraw/zinc/22/66/26/517226626.db2.gz LSXVZVLTDZGTGD-FRFSOERESA-N 0 3 352.456 2.918 20 5 FFBDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)c2cc([N+](=O)[O-])cn2C)cc1 ZINC000541856782 517255676 /nfs/dbraw/zinc/25/56/76/517255676.db2.gz FSPIGTANCCKPRI-QGZVFWFLSA-N 0 3 372.425 2.509 20 5 FFBDHN Cc1ccc([C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000520062102 517265923 /nfs/dbraw/zinc/26/59/23/517265923.db2.gz YDTWNZJPDSVSPW-GOSISDBHSA-N 0 3 357.410 2.701 20 5 FFBDHN Cc1c(CC(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)cccc1[N+](=O)[O-] ZINC000552518253 517292810 /nfs/dbraw/zinc/29/28/10/517292810.db2.gz XRFYAHLLARCDMM-SFHVURJKSA-N 0 3 369.421 2.651 20 5 FFBDHN CN(CCC(=O)Nc1ccc2c(c1)OCO2)CCc1cccc([N+](=O)[O-])c1 ZINC000548934234 517313299 /nfs/dbraw/zinc/31/32/99/517313299.db2.gz XHEIQNNWTXGDES-UHFFFAOYSA-N 0 3 371.393 2.827 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000520274585 517326792 /nfs/dbraw/zinc/32/67/92/517326792.db2.gz MRKPMEXVRJFTEY-KSSFIOAISA-N 0 3 369.421 2.996 20 5 FFBDHN C[C@H](C(=O)N(CCN(C)C)Cc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000520472968 517406430 /nfs/dbraw/zinc/40/64/30/517406430.db2.gz IMQMVGCBFMLLCT-HNNXBMFYSA-N 0 3 356.426 2.684 20 5 FFBDHN Cc1cccc(NCCCN2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000549121928 517409986 /nfs/dbraw/zinc/40/99/86/517409986.db2.gz MTWPBLSHECQPHL-UHFFFAOYSA-N 0 3 355.442 2.922 20 5 FFBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@H](O)COCc1ccccc1F ZINC000549173478 517438823 /nfs/dbraw/zinc/43/88/23/517438823.db2.gz XGYYYDFMVVDQJU-SFHVURJKSA-N 0 3 362.401 2.786 20 5 FFBDHN CCCN1CCC[C@H]1CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000515686956 517447763 /nfs/dbraw/zinc/44/77/63/517447763.db2.gz VFZOOICOXXWIEU-HNNXBMFYSA-N 0 3 371.441 2.846 20 5 FFBDHN CCN1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000515915051 517511410 /nfs/dbraw/zinc/51/14/10/517511410.db2.gz NTGLBXPOVQYNGM-CQSZACIVSA-N 0 3 366.437 2.857 20 5 FFBDHN [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000563062991 517625257 /nfs/dbraw/zinc/62/52/57/517625257.db2.gz KNCSWTLTHAIYMJ-HUUCEWRRSA-N 0 3 357.414 2.643 20 5 FFBDHN CCC(CC)[C@@H](CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])N(C)C ZINC000527385327 517670422 /nfs/dbraw/zinc/67/04/22/517670422.db2.gz GXSQWPLTPDBONG-OAHLLOKOSA-N 0 3 357.476 2.548 20 5 FFBDHN C[C@@H]1CCCN(CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000546578801 517736779 /nfs/dbraw/zinc/73/67/79/517736779.db2.gz VIQPFVYITUXWNJ-CYBMUJFWSA-N 0 3 351.422 2.860 20 5 FFBDHN C[C@@H]1CC[C@H](C)N1[C@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000546801184 517864392 /nfs/dbraw/zinc/86/43/92/517864392.db2.gz BYUXXTADPYHLQU-ZNMIVQPWSA-N 0 3 367.471 2.621 20 5 FFBDHN CN(C)CCN1CCC(Nc2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000546899233 517912395 /nfs/dbraw/zinc/91/23/95/517912395.db2.gz LNOLTWQULGVQRG-UHFFFAOYSA-N 0 3 358.389 2.634 20 5 FFBDHN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000543136554 517926860 /nfs/dbraw/zinc/92/68/60/517926860.db2.gz HNVZZXQKYIOJIL-IIMJZQEZSA-N 0 3 372.421 2.659 20 5 FFBDHN CN(C)CCOc1ccc(-c2noc(-c3ccc([N+](=O)[O-])cn3)n2)cc1 ZINC000546996210 517952017 /nfs/dbraw/zinc/95/20/17/517952017.db2.gz BLCPOTPRHLUMFZ-UHFFFAOYSA-N 0 3 355.354 2.647 20 5 FFBDHN CCOc1cc(NC(=O)NC[C@@H]2CCCN2C)c([N+](=O)[O-])cc1OCC ZINC000517115011 518031155 /nfs/dbraw/zinc/03/11/55/518031155.db2.gz ILDUOZCSBURRSB-LBPRGKRZSA-N 0 3 366.418 2.608 20 5 FFBDHN COc1ccc([N+](=O)[O-])c(NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c1 ZINC000534797003 518036189 /nfs/dbraw/zinc/03/61/89/518036189.db2.gz IWCBICILMYULKM-JKSUJKDBSA-N 0 3 357.410 2.651 20 5 FFBDHN COc1ccc(-c2ccc(CNC[C@]3(O)CCSC3)o2)c([N+](=O)[O-])c1 ZINC000531108137 518140478 /nfs/dbraw/zinc/14/04/78/518140478.db2.gz BZRUHEJFSHHGDD-QGZVFWFLSA-N 0 3 364.423 2.821 20 5 FFBDHN C[C@@]1(NC(=O)CNc2ccccc2[N+](=O)[O-])CCN(Cc2ccccc2)C1 ZINC000581436305 518284686 /nfs/dbraw/zinc/28/46/86/518284686.db2.gz YGGDNNYVJSARLX-HXUWFJFHSA-N 0 3 368.437 2.788 20 5 FFBDHN Cc1ccc(CN2CC[C@H](CN(C)C(=O)c3cc([N+](=O)[O-])c[nH]3)C2)s1 ZINC000584372674 518307708 /nfs/dbraw/zinc/30/77/08/518307708.db2.gz GIEQXMFBDUEKGH-CYBMUJFWSA-N 0 3 362.455 2.887 20 5 FFBDHN Cc1nn(C)c(N2CCN(c3ccnc4ccccc43)CC2)c1[N+](=O)[O-] ZINC000575873014 518321482 /nfs/dbraw/zinc/32/14/82/518321482.db2.gz FLLXRMHVJAVVLS-UHFFFAOYSA-N 0 3 352.398 2.512 20 5 FFBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000584547546 518393831 /nfs/dbraw/zinc/39/38/31/518393831.db2.gz HGLQJOMBIQMINR-JKDFXYPNSA-N 0 3 367.396 2.604 20 5 FFBDHN CCC(CC)Nc1ccncc1NC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000564348887 518411499 /nfs/dbraw/zinc/41/14/99/518411499.db2.gz NWCFVPYBXLTWMG-UHFFFAOYSA-N 0 3 360.418 2.546 20 5 FFBDHN C[C@H](C(=O)N[C@@H]1CN(C)C[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000573158582 518531236 /nfs/dbraw/zinc/53/12/36/518531236.db2.gz DTYWGWKNYPLSDT-GDIGMMSISA-N 0 3 353.422 2.912 20 5 FFBDHN Cc1cc(NC[C@@H](O)COc2ccccc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000579155010 518546072 /nfs/dbraw/zinc/54/60/72/518546072.db2.gz ZXVUCJIGOLPENF-OAHLLOKOSA-N 0 3 353.378 2.725 20 5 FFBDHN CN1CCC(CCO)(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000576412875 518581478 /nfs/dbraw/zinc/58/14/78/518581478.db2.gz SYDQMWJKLKCQOQ-UHFFFAOYSA-N 0 3 359.426 2.791 20 5 FFBDHN O=[N+]([O-])c1cccc(Cl)c1CN[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000573286425 518592139 /nfs/dbraw/zinc/59/21/39/518592139.db2.gz BOLLBFZRRDUEPC-NVXWUHKLSA-N 0 3 353.850 2.981 20 5 FFBDHN CCc1ccc(S(=O)(=O)N(C)[C@H]2CCN(CC)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000567771052 518702234 /nfs/dbraw/zinc/70/22/34/518702234.db2.gz OCRJMEHEABPQPG-HIFRSBDPSA-N 0 3 369.487 2.651 20 5 FFBDHN O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CC[C@@H](N2CCCC2)C1 ZINC000582586590 518823014 /nfs/dbraw/zinc/82/30/14/518823014.db2.gz SXGNBAWJIVKZRV-GFCCVEGCSA-N 0 3 357.332 2.924 20 5 FFBDHN CCCc1n[nH]c(C(=O)NC[C@@H](N[C@@H](C)CC)c2ccco2)c1[N+](=O)[O-] ZINC000588766972 518825094 /nfs/dbraw/zinc/82/50/94/518825094.db2.gz RFPAZYPMKWCXKR-WCQYABFASA-N 0 3 363.418 2.723 20 5 FFBDHN CN(C)CCOc1cnccc1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000565296682 518885036 /nfs/dbraw/zinc/88/50/36/518885036.db2.gz DJNJSTZTYLJRHI-UHFFFAOYSA-N 0 3 351.794 2.591 20 5 FFBDHN CC(=O)N1C[C@@H]2CCC[C@H](NCc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000588978433 518887153 /nfs/dbraw/zinc/88/71/53/518887153.db2.gz GNYLDTUHJDOUSI-IMJJTQAJSA-N 0 3 351.834 2.985 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000589505975 519019277 /nfs/dbraw/zinc/01/92/77/519019277.db2.gz SVUPVLKBWIWCPX-CRAIPNDOSA-N 0 3 373.453 2.830 20 5 FFBDHN CCCC[N@H+](C)C[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000574335646 519106919 /nfs/dbraw/zinc/10/69/19/519106919.db2.gz ONJRBUBUAYKKEE-NSHDSACASA-N 0 3 363.867 2.647 20 5 FFBDHN CCCC[N@@H+](C)C[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000574335646 519106926 /nfs/dbraw/zinc/10/69/26/519106926.db2.gz ONJRBUBUAYKKEE-NSHDSACASA-N 0 3 363.867 2.647 20 5 FFBDHN Cc1ccc(C)c(OC[C@H](O)CNCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000574632284 519252613 /nfs/dbraw/zinc/25/26/13/519252613.db2.gz RDFPRMLUXYYAKJ-QGZVFWFLSA-N 0 3 360.410 2.620 20 5 FFBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H](c3ccccn3)C2)c1 ZINC000590602693 519285275 /nfs/dbraw/zinc/28/52/75/519285275.db2.gz VTQMLTRXAQRLKZ-NVXWUHKLSA-N 0 3 357.410 2.609 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](C(C)C)[C@H](CO)C(C)C)c1 ZINC000590659159 519305518 /nfs/dbraw/zinc/30/55/18/519305518.db2.gz AOENUISLRUEEDW-NVXWUHKLSA-N 0 3 352.431 2.760 20 5 FFBDHN COc1ccc2c(c1)CCC[C@H]2N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000572022894 519403442 /nfs/dbraw/zinc/40/34/42/519403442.db2.gz ACAVIRGYTQTKEJ-GOSISDBHSA-N 0 3 357.410 2.775 20 5 FFBDHN [NH3+]CC1(CC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)CCCCC1 ZINC000572152578 519470578 /nfs/dbraw/zinc/47/05/78/519470578.db2.gz XFNVIIYHJTYJSF-UHFFFAOYSA-N 0 3 357.414 2.645 20 5 FFBDHN CCOc1ccc([N+](=O)[O-])c(-c2nc(CC3=N[C@H]4CCCC[C@@H]4N3)no2)c1 ZINC000569389964 519525816 /nfs/dbraw/zinc/52/58/16/519525816.db2.gz LOGRGKCMQYJLDW-KBPBESRZSA-N 0 3 371.397 2.899 20 5 FFBDHN C[C@@H]1CN(CCC2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)C[C@@H](C)O1 ZINC000591149374 519529659 /nfs/dbraw/zinc/52/96/59/519529659.db2.gz UWMFMMRCFVBGTJ-ZIAGYGMSSA-N 0 3 366.437 2.845 20 5 FFBDHN CCCCN1CCCC[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000566638468 519590074 /nfs/dbraw/zinc/59/00/74/519590074.db2.gz JJGYDRCRBYWJMJ-CYBMUJFWSA-N 0 3 363.414 2.708 20 5 FFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(SC)CC1 ZINC000602922321 519974810 /nfs/dbraw/zinc/97/48/10/519974810.db2.gz HKDGTAFDSNHQHO-UHFFFAOYSA-N 0 3 353.444 2.759 20 5 FFBDHN O=C(NCCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1cccc([O-])c1 ZINC000594493290 520001548 /nfs/dbraw/zinc/00/15/48/520001548.db2.gz KXGMUHSFOQNCMR-QGZVFWFLSA-N 0 3 355.394 2.697 20 5 FFBDHN O=C(CCNC[C@@H]1OCCc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000591739539 520017471 /nfs/dbraw/zinc/01/74/71/520017471.db2.gz CLZFRNZNUOCMEC-SFHVURJKSA-N 0 3 355.394 2.827 20 5 FFBDHN Cc1c(CC(=O)N2CCCN(c3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000603082572 520068345 /nfs/dbraw/zinc/06/83/45/520068345.db2.gz GGSGCYSVNITTKK-UHFFFAOYSA-N 0 3 354.410 2.580 20 5 FFBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000608905310 520159154 /nfs/dbraw/zinc/15/91/54/520159154.db2.gz BMFJPQXSVCICEV-OCCSQVGLSA-N 0 3 367.833 2.712 20 5 FFBDHN CCc1ccc(S(=O)(=O)NC[C@@H]2CCN(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594793933 520161132 /nfs/dbraw/zinc/16/11/32/520161132.db2.gz WPNGTOUOTVVYII-ZDUSSCGKSA-N 0 3 369.487 2.556 20 5 FFBDHN CN1CC[C@]2(C1)CCCN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000597709983 520189303 /nfs/dbraw/zinc/18/93/03/520189303.db2.gz FQCLIXFMUBGSCH-KRWDZBQOSA-N 0 3 369.368 2.754 20 5 FFBDHN COC(=O)CCCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592131322 520207415 /nfs/dbraw/zinc/20/74/15/520207415.db2.gz XPRLLRDBHQKMON-WKILWMFISA-N 0 3 350.415 2.654 20 5 FFBDHN Cn1nccc1CCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592133497 520210502 /nfs/dbraw/zinc/21/05/02/520210502.db2.gz WKCTWHGWOPJMQE-IYARVYRRSA-N 0 3 358.442 2.677 20 5 FFBDHN CC1(C)CCC(O)(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000594992809 520246131 /nfs/dbraw/zinc/24/61/31/520246131.db2.gz YHYHXUXHIDWAMS-UHFFFAOYSA-N 0 3 350.415 2.787 20 5 FFBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000594990975 520246167 /nfs/dbraw/zinc/24/61/67/520246167.db2.gz WGDBFJNGLSKGJG-QXDJROSASA-N 0 3 357.454 2.841 20 5 FFBDHN O=[N+]([O-])c1cc2c(cc1CN[C@@H]1[C@H]3Cc4cc(F)ccc4[C@@H]13)OCCO2 ZINC000594995527 520247466 /nfs/dbraw/zinc/24/74/66/520247466.db2.gz NHSMFLLAHBZWEK-GDIGMMSISA-N 0 3 356.353 2.933 20 5 FFBDHN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C(F)F ZINC000595030776 520261487 /nfs/dbraw/zinc/26/14/87/520261487.db2.gz ASXRGCSWAWWBQV-JTQLQIEISA-N 0 3 350.387 2.638 20 5 FFBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000595235167 520364775 /nfs/dbraw/zinc/36/47/75/520364775.db2.gz ROQPLASEQMCGLO-SFHVURJKSA-N 0 3 370.409 2.620 20 5 FFBDHN CN(Cc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)sc2c1)C1CC1 ZINC000598027395 520384704 /nfs/dbraw/zinc/38/47/04/520384704.db2.gz HXYGDVNGSQEMOE-UHFFFAOYSA-N 0 3 372.410 2.774 20 5 FFBDHN CCN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCN(CC)C1 ZINC000598040315 520389788 /nfs/dbraw/zinc/38/97/88/520389788.db2.gz OUUDFTOSPCUJAC-CQSZACIVSA-N 0 3 369.849 2.960 20 5 FFBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000613225030 520397377 /nfs/dbraw/zinc/39/73/77/520397377.db2.gz QOBYMBJFXUKEKU-QGZVFWFLSA-N 0 3 368.437 2.907 20 5 FFBDHN Cn1cc([C@H](NCCCOc2ccc([N+](=O)[O-])cc2)C2(CO)CCC2)cn1 ZINC000595498884 520510392 /nfs/dbraw/zinc/51/03/92/520510392.db2.gz KFJSEVVIJGIEHW-SFHVURJKSA-N 0 3 374.441 2.591 20 5 FFBDHN C[C@H](CN1CCC(C)CC1)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000598266506 520528911 /nfs/dbraw/zinc/52/89/11/520528911.db2.gz YWMSTENAZLUGCZ-OAHLLOKOSA-N 0 3 358.442 2.786 20 5 FFBDHN CN(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C2CC2)C1 ZINC000610104850 520539715 /nfs/dbraw/zinc/53/97/15/520539715.db2.gz YUNOXEBULLVPOX-GOSISDBHSA-N 0 3 360.458 2.796 20 5 FFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C[C@H]1C ZINC000610135390 520554356 /nfs/dbraw/zinc/55/43/56/520554356.db2.gz RADXFTVMNWARDZ-HIFRSBDPSA-N 0 3 369.487 2.705 20 5 FFBDHN CCCN1CC[C@H](NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1 ZINC000598343923 520565657 /nfs/dbraw/zinc/56/56/57/520565657.db2.gz YNCBBYBQNKSDSL-LBPRGKRZSA-N 0 3 370.247 2.880 20 5 FFBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000604535301 520593535 /nfs/dbraw/zinc/59/35/35/520593535.db2.gz VALISBMOVZYRIE-GOSISDBHSA-N 0 3 368.437 2.860 20 5 FFBDHN COc1ccccc1C[C@](C)(CO)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000601153829 520663585 /nfs/dbraw/zinc/66/35/85/520663585.db2.gz UNXCLNQXPWUMSV-LJQANCHMSA-N 0 3 360.410 2.695 20 5 FFBDHN CN(C)CCN(Cc1ccccc1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593014624 520683856 /nfs/dbraw/zinc/68/38/56/520683856.db2.gz ASTBRLZKSWHJSM-UHFFFAOYSA-N 0 3 359.401 2.867 20 5 FFBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]2CCN(C)[C@@H]2c2ccccc2)c1 ZINC000593031407 520694704 /nfs/dbraw/zinc/69/47/04/520694704.db2.gz VZWVNRARLRIRBC-IEBWSBKVSA-N 0 3 369.421 2.916 20 5 FFBDHN COc1ccc(C[C@H]2CCCCN2CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000593085568 520735152 /nfs/dbraw/zinc/73/51/52/520735152.db2.gz ZPEVWOQCZWUDNE-QGZVFWFLSA-N 0 3 371.437 2.862 20 5 FFBDHN Cc1ccc(S(=O)(=O)N(C)CC[C@@H]2CCCCN2C)c(C)c1[N+](=O)[O-] ZINC000598613887 520743699 /nfs/dbraw/zinc/74/36/99/520743699.db2.gz ZIAWBVKWQWLJSW-HNNXBMFYSA-N 0 3 369.487 2.707 20 5 FFBDHN NC(=O)c1cc(N[C@H](CN2CCCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000596071750 520894146 /nfs/dbraw/zinc/89/41/46/520894146.db2.gz VYGOFFVTUWCMAI-QGZVFWFLSA-N 0 3 354.410 2.943 20 5 FFBDHN CCN1CCN(C[C@H](C)CNc2cc(OC)c([N+](=O)[O-])cc2Cl)CC1 ZINC000596083289 520903052 /nfs/dbraw/zinc/90/30/52/520903052.db2.gz ZPBIRIQJERWDAI-CYBMUJFWSA-N 0 3 370.881 2.942 20 5 FFBDHN O=[N+]([O-])c1ccc2c(c1N1CC[C@@H](OCCN3CCCCC3)C1)CCN2 ZINC000618156486 520908330 /nfs/dbraw/zinc/90/83/30/520908330.db2.gz SCHWFZQXJCTMOJ-OAHLLOKOSA-N 0 3 360.458 2.644 20 5 FFBDHN CC(C)[C@@H](CNc1ccnc2cc([N+](=O)[O-])ccc21)N1CCN(C)CC1 ZINC000593457270 521006108 /nfs/dbraw/zinc/00/61/08/521006108.db2.gz KGQHDAHGXKLEEO-LJQANCHMSA-N 0 3 357.458 2.827 20 5 FFBDHN C[C@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000599064218 521008498 /nfs/dbraw/zinc/00/84/98/521008498.db2.gz LDCUISGQIHRWAT-YJBOKZPZSA-N 0 3 369.469 2.605 20 5 FFBDHN C[C@@H]1CCCCN1CCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599074194 521016239 /nfs/dbraw/zinc/01/62/39/521016239.db2.gz UDNIHFPFJCGIAD-LLVKDONJSA-N 0 3 370.247 2.962 20 5 FFBDHN O=C(Nc1ccc(CN2CCC(O)CC2)cc1)c1ccc([N+](=O)[O-])s1 ZINC000611197713 521033239 /nfs/dbraw/zinc/03/32/39/521033239.db2.gz ZSYOYLAPDNJPPJ-UHFFFAOYSA-N 0 3 361.423 2.865 20 5 FFBDHN COc1cc(CN2CC[C@]3(C2)C(=O)Nc2ccccc23)ccc1[N+](=O)[O-] ZINC000614584055 521034342 /nfs/dbraw/zinc/03/43/42/521034342.db2.gz VKYXLBCDBIUNIF-LJQANCHMSA-N 0 3 353.378 2.699 20 5 FFBDHN CN(CCN1CCCC1)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599330966 521156927 /nfs/dbraw/zinc/15/69/27/521156927.db2.gz MWIBPXCRHWMFCM-UHFFFAOYSA-N 0 3 356.220 2.525 20 5 FFBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)n1 ZINC000611615884 521250343 /nfs/dbraw/zinc/25/03/43/521250343.db2.gz FKPKWXMMVRTRFO-HZPDHXFCSA-N 0 3 362.474 2.932 20 5 FFBDHN C[C@H](N[C@H]1[C@@H](C)[C@H](C)O[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599626593 521339787 /nfs/dbraw/zinc/33/97/87/521339787.db2.gz SELWJZLVLKWAAY-DMZJWBPISA-N 0 3 355.822 2.977 20 5 FFBDHN O=[N+]([O-])c1ccn(CCN2CCC(c3ccc4cccnc4n3)CC2)n1 ZINC000594019032 521352342 /nfs/dbraw/zinc/35/23/42/521352342.db2.gz DAQJENHAALOMCI-UHFFFAOYSA-N 0 3 352.398 2.614 20 5 FFBDHN O=[N+]([O-])c1ccc2oc(CNCC3(N4CCOCC4)CCCCC3)nc2c1 ZINC000602503843 521383902 /nfs/dbraw/zinc/38/39/02/521383902.db2.gz SMDMCPCFTREGOB-UHFFFAOYSA-N 0 3 374.441 2.861 20 5 FFBDHN Cc1cc(N2CCN(C[C@H]3CCCO3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000611918569 521392423 /nfs/dbraw/zinc/39/24/23/521392423.db2.gz CUCDJBZUHWZFNX-MRXNPFEDSA-N 0 3 356.426 2.752 20 5 FFBDHN COc1cc(C(=O)N2CCCc3cccc(CN)c32)cc([N+](=O)[O-])c1C ZINC000602540814 521401935 /nfs/dbraw/zinc/40/19/35/521401935.db2.gz UJSDJPLXOOUEHX-UHFFFAOYSA-N 0 3 355.394 2.964 20 5 FFBDHN COC1CCN(CCNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602586470 521424431 /nfs/dbraw/zinc/42/44/31/521424431.db2.gz CFDULNOTSHSUSW-UHFFFAOYSA-N 0 3 361.364 2.814 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000602794604 521535800 /nfs/dbraw/zinc/53/58/00/521535800.db2.gz JJFZJMPRKUXEBX-OAHLLOKOSA-N 0 3 354.414 2.614 20 5 FFBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000602837057 521562509 /nfs/dbraw/zinc/56/25/09/521562509.db2.gz SNMZPVYFJJGXQO-AWEZNQCLSA-N 0 3 372.347 2.832 20 5 FFBDHN O=C1CC[C@H]2CN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC[C@H]2N1 ZINC000597204844 521572869 /nfs/dbraw/zinc/57/28/69/521572869.db2.gz GGAOTVBBYQQQIC-WMLDXEAASA-N 0 3 355.394 2.955 20 5 FFBDHN O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC000826498448 608509675 /nfs/dbraw/zinc/50/96/75/608509675.db2.gz VFFURRCBBWQWFM-GOSISDBHSA-N 0 3 364.409 2.985 20 5 FFBDHN O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000826498448 608509677 /nfs/dbraw/zinc/50/96/77/608509677.db2.gz VFFURRCBBWQWFM-GOSISDBHSA-N 0 3 364.409 2.985 20 5 FFBDHN