smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000588495423 966102598 /nfs/dbraw/zinc/10/25/98/966102598.db2.gz UVTJRMKVYXVCSF-NXVVXOECSA-N 0 3 374.485 2.530 10 5 FFBEHN COc1cccc(Nc2ncnc(N(C)C3CCN(C)CC3)c2[N+](=O)[O-])c1 ZINC000040586939 205072476 /nfs/dbraw/zinc/07/24/76/205072476.db2.gz YXVIIOAAMQGZMA-UHFFFAOYSA-N 0 3 372.429 2.667 10 5 FFBEHN C[C@@H]1CCC[C@@](CNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)(N(C)C)C1 ZINC000123985887 508766830 /nfs/dbraw/zinc/76/68/30/508766830.db2.gz FRAJAAIKZXARJH-CXAGYDPISA-N 0 3 369.487 2.921 10 5 FFBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(c2ccnn2C)CC1 ZINC000160517011 508997929 /nfs/dbraw/zinc/99/79/29/508997929.db2.gz ZLWZLEHBSZBPMC-UHFFFAOYSA-N 0 3 371.441 2.845 10 5 FFBEHN O=[N+]([O-])c1ccc(-c2noc(CN3CCC(c4ccn[nH]4)CC3)n2)cc1 ZINC000195507538 509199635 /nfs/dbraw/zinc/19/96/35/509199635.db2.gz XNJZQSSZKKVEKA-UHFFFAOYSA-N 0 3 354.370 2.748 10 5 FFBEHN COC(=O)c1cnc(N[C@@H](C)CN(C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000189379541 509547632 /nfs/dbraw/zinc/54/76/32/509547632.db2.gz IMJULISFISTNHK-ZDUSSCGKSA-N 0 3 358.398 2.709 10 5 FFBEHN Cn1cc(CN2CCCN(C3CC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179727882 509593463 /nfs/dbraw/zinc/59/34/63/509593463.db2.gz WIRPEKARONSLNG-UHFFFAOYSA-N 0 3 355.442 2.665 10 5 FFBEHN CCO[C@@H]1C[C@@H](NCc2ccc(OC)c([N+](=O)[O-])c2)C12CCOCC2 ZINC000186292127 509628885 /nfs/dbraw/zinc/62/88/85/509628885.db2.gz BRIRSYQVBHPAFZ-IAGOWNOFSA-N 0 3 350.415 2.667 10 5 FFBEHN C[C@@H](CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000180043111 509722823 /nfs/dbraw/zinc/72/28/23/509722823.db2.gz CCHLVXOBTJPPFA-JXFKEZNVSA-N 0 3 355.438 2.995 10 5 FFBEHN CCOc1cc(C(=O)N(C)C[C@@H]2CCCN2CC)c([N+](=O)[O-])cc1OC ZINC000177009189 509815354 /nfs/dbraw/zinc/81/53/54/509815354.db2.gz DOAACDWKADAHKX-ZDUSSCGKSA-N 0 3 365.430 2.558 10 5 FFBEHN CC[C@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCN1C[C@H](C)O ZINC000245924756 510209052 /nfs/dbraw/zinc/20/90/52/510209052.db2.gz TXQAHJAGLGIUHZ-YOEHRIQHSA-N 0 3 374.441 2.527 10 5 FFBEHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000107708621 250310958 /nfs/dbraw/zinc/31/09/58/250310958.db2.gz PXILZWHZPLMODG-MRXNPFEDSA-N 0 3 367.471 2.542 10 5 FFBEHN CC[C@H]1CN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CCN1CCOC ZINC000302039057 258083767 /nfs/dbraw/zinc/08/37/67/258083767.db2.gz VRYQHQKQRJFNMA-HNNXBMFYSA-N 0 3 358.442 2.998 10 5 FFBEHN C[C@@H](NC[C@H](O)CN1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000151801195 509085852 /nfs/dbraw/zinc/08/58/52/509085852.db2.gz BQPQZHQVFITUOO-QRWLVFNGSA-N 0 3 355.438 2.665 10 5 FFBEHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@H](N3CCOCC3)C2)o1 ZINC000121009913 509109072 /nfs/dbraw/zinc/10/90/72/509109072.db2.gz SEMDYRWDDLCPLO-HNNXBMFYSA-N 0 3 357.410 2.761 10 5 FFBEHN O=[N+]([O-])c1cnc(NCC2CCN(C[C@H](O)c3ccccc3)CC2)s1 ZINC000192451351 509524788 /nfs/dbraw/zinc/52/47/88/509524788.db2.gz XFHMWTRWKWSDGS-HNNXBMFYSA-N 0 3 362.455 2.909 10 5 FFBEHN CCCCOC[C@@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000193382934 509891237 /nfs/dbraw/zinc/89/12/37/509891237.db2.gz GYJDIRAYNOXRAF-INIZCTEOSA-N 0 3 352.431 2.616 10 5 FFBEHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000182098100 510757103 /nfs/dbraw/zinc/75/71/03/510757103.db2.gz NVZPFDHMUFISGC-AWEZNQCLSA-N 0 3 357.410 2.854 10 5 FFBEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000247485997 510862630 /nfs/dbraw/zinc/86/26/30/510862630.db2.gz TVDROXUQFPOEJR-ZBFHGGJFSA-N 0 3 358.442 2.504 10 5 FFBEHN CN(c1ncnc(N2CCc3ccccc32)c1[N+](=O)[O-])C1CCN(C)CC1 ZINC000040586241 205072865 /nfs/dbraw/zinc/07/28/65/205072865.db2.gz JBGCQXJWARCOLA-UHFFFAOYSA-N 0 3 368.441 2.609 10 5 FFBEHN COc1ccc(Nc2ncnc(N(C)C3CCN(C)CC3)c2[N+](=O)[O-])cc1 ZINC000040649533 205075732 /nfs/dbraw/zinc/07/57/32/205075732.db2.gz XPYHAOIDAZYMEG-UHFFFAOYSA-N 0 3 372.429 2.667 10 5 FFBEHN Cc1ncsc1CN(C)C[C@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000192541700 251285519 /nfs/dbraw/zinc/28/55/19/251285519.db2.gz VEBZMCQSMFOBCP-LLVKDONJSA-N 0 3 353.473 2.775 10 5 FFBEHN CN(C)[C@@H]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000155129585 508929832 /nfs/dbraw/zinc/92/98/32/508929832.db2.gz RMIPBBITVBSZDZ-SNVBAGLBSA-N 0 3 357.208 2.525 10 5 FFBEHN CC(C)CN1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000131471353 508936490 /nfs/dbraw/zinc/93/64/90/508936490.db2.gz NAWYUFLJHJVDHE-CQSZACIVSA-N 0 3 355.460 2.531 10 5 FFBEHN Cc1cccc(C(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)c1[N+](=O)[O-] ZINC000190601405 510233252 /nfs/dbraw/zinc/23/32/52/510233252.db2.gz QVHJXCYXUUBFHQ-KRWDZBQOSA-N 0 3 368.437 2.892 10 5 FFBEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000190626044 510247797 /nfs/dbraw/zinc/24/77/97/510247797.db2.gz ZMOFHLVMWMAAMX-MRXNPFEDSA-N 0 3 354.410 2.584 10 5 FFBEHN O=[N+]([O-])c1ccc(CN[C@H]2CCO[C@]3(CCSC3)C2)c([N+](=O)[O-])c1 ZINC000194514355 510402883 /nfs/dbraw/zinc/40/28/83/510402883.db2.gz CCMBSWNJHWFAHE-SWLSCSKDSA-N 0 3 353.400 2.647 10 5 FFBEHN Cc1c(F)cc(S(=O)(=O)N(C)CC[C@@H]2CCCCN2C)cc1[N+](=O)[O-] ZINC000184947564 510599913 /nfs/dbraw/zinc/59/99/13/510599913.db2.gz NMXIUADDRRWQPP-ZDUSSCGKSA-N 0 3 373.450 2.537 10 5 FFBEHN COc1ccccc1Nc1ncnc(N(C)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000040648440 205076178 /nfs/dbraw/zinc/07/61/78/205076178.db2.gz QOUOCHSJCQCMMY-UHFFFAOYSA-N 0 3 372.429 2.667 10 5 FFBEHN Cc1nc(C)n(C[C@H]2CCCN(CCOc3ccccc3[N+](=O)[O-])C2)n1 ZINC000106177600 250248525 /nfs/dbraw/zinc/24/85/25/250248525.db2.gz OPODMEBUUYACQM-INIZCTEOSA-N 0 3 359.430 2.594 10 5 FFBEHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000107708269 250311314 /nfs/dbraw/zinc/31/13/14/250311314.db2.gz CAGNKORSXHCAPG-OAHLLOKOSA-N 0 3 367.471 2.542 10 5 FFBEHN CC(C)N1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Br)[C@@H](C)C1 ZINC000155643667 509043168 /nfs/dbraw/zinc/04/31/68/509043168.db2.gz XCPBGJFGWSYHFW-HZMBPMFUSA-N 0 3 370.247 2.816 10 5 FFBEHN CN1CCC(Oc2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000071564955 507706520 /nfs/dbraw/zinc/70/65/20/507706520.db2.gz LEZHLESFVJFJRJ-UHFFFAOYSA-N 0 3 370.409 2.644 10 5 FFBEHN O=C(Nc1ccccc1)[C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000136896596 508723024 /nfs/dbraw/zinc/72/30/24/508723024.db2.gz PIOAISFIRDQQTC-LPHOPBHVSA-N 0 3 369.421 2.979 10 5 FFBEHN C[C@H](NC[C@H](O)CN1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000151801107 509085688 /nfs/dbraw/zinc/08/56/88/509085688.db2.gz BQPQZHQVFITUOO-YWZLYKJASA-N 0 3 355.438 2.665 10 5 FFBEHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000190543756 510194010 /nfs/dbraw/zinc/19/40/10/510194010.db2.gz NTCUTCMBTOELGF-AWEZNQCLSA-N 0 3 374.466 2.954 10 5 FFBEHN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)cc1SC ZINC000247472847 510862101 /nfs/dbraw/zinc/86/21/01/510862101.db2.gz VLTYZZLLVCIEMG-DGCLKSJQSA-N 0 3 367.471 2.784 10 5 FFBEHN CCN1CCc2c(cccc2Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])C1 ZINC000301709497 511700569 /nfs/dbraw/zinc/70/05/69/511700569.db2.gz UIMIGTABKVLXJC-UHFFFAOYSA-N 0 3 365.393 2.724 10 5 FFBEHN CN(C)[C@@H]1CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000170858330 509815964 /nfs/dbraw/zinc/81/59/64/509815964.db2.gz HMDDJAPTZDLVMA-GFCCVEGCSA-N 0 3 374.363 2.578 10 5 FFBEHN Cc1nccn1C[C@@H]1CCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000178313956 510541289 /nfs/dbraw/zinc/54/12/89/510541289.db2.gz MNZUSAQTTSUYMM-INIZCTEOSA-N 0 3 368.397 2.814 10 5 FFBEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000247029229 510807294 /nfs/dbraw/zinc/80/72/94/510807294.db2.gz GGKMQPKBAQRGEM-WBVHZDCISA-N 0 3 372.469 2.506 10 5 FFBEHN Cc1nn(C)c(C)c1[C@H]1CCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182239440 510830044 /nfs/dbraw/zinc/83/00/44/510830044.db2.gz QRLRCYVCUSMNHM-DOTOQJQBSA-N 0 3 374.441 2.522 10 5 FFBEHN C[C@@H]1N([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCC12CCOCC2 ZINC000371814522 512586123 /nfs/dbraw/zinc/58/61/23/512586123.db2.gz FBQNREOLPRPMAL-WMLDXEAASA-N 0 3 359.426 2.591 10 5 FFBEHN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCN2CCC[C@H]2C1 ZINC000246168842 729581693 /nfs/dbraw/zinc/58/16/93/729581693.db2.gz NRTOUCJNKRPOSS-JTQLQIEISA-N 0 3 360.292 2.806 10 5 FFBEHN Cc1nc(C)n(C[C@@H]2CCCN(CCOc3ccccc3[N+](=O)[O-])C2)n1 ZINC000106177596 250248576 /nfs/dbraw/zinc/24/85/76/250248576.db2.gz OPODMEBUUYACQM-MRXNPFEDSA-N 0 3 359.430 2.594 10 5 FFBEHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000107707794 250311032 /nfs/dbraw/zinc/31/10/32/250311032.db2.gz MPJJRKPABFXKCW-INIZCTEOSA-N 0 3 367.471 2.542 10 5 FFBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000109790101 507987484 /nfs/dbraw/zinc/98/74/84/507987484.db2.gz QLDULTDBWMMBFT-MRXNPFEDSA-N 0 3 374.485 2.532 10 5 FFBEHN Cc1nn(C)c(C)c1[C@H]1CCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248374467 509280205 /nfs/dbraw/zinc/28/02/05/509280205.db2.gz QRLRCYVCUSMNHM-NVXWUHKLSA-N 0 3 374.441 2.522 10 5 FFBEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000245675155 510075349 /nfs/dbraw/zinc/07/53/49/510075349.db2.gz GOVLNBXEPRZTGZ-MFKMUULPSA-N 0 3 368.231 2.666 10 5 FFBEHN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCN2CCC[C@H]2C1 ZINC000171890740 510431770 /nfs/dbraw/zinc/43/17/70/510431770.db2.gz KNISSQAUEGQOCC-NSHDSACASA-N 0 3 356.329 2.508 10 5 FFBEHN O=[N+]([O-])c1cc(CN[C@H]2CCCC[C@H]2n2cccn2)c2c(c1)COCO2 ZINC000173572171 251209704 /nfs/dbraw/zinc/20/97/04/251209704.db2.gz RLVMOXLIWHTZRB-DLBZAZTESA-N 0 3 358.398 2.931 10 5 FFBEHN CN(C)C[C@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000032273343 506238033 /nfs/dbraw/zinc/23/80/33/506238033.db2.gz LWQHZFIYXNORKL-INIZCTEOSA-N 0 3 353.382 2.504 10 5 FFBEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000154132380 508722615 /nfs/dbraw/zinc/72/26/15/508722615.db2.gz OTDUBNDYPYAOQS-CYBMUJFWSA-N 0 3 370.247 2.914 10 5 FFBEHN C[C@@H]1C[C@@H](C)CN(CCCNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000123756373 508734187 /nfs/dbraw/zinc/73/41/87/508734187.db2.gz JTCZVDVFXQTFGX-ZIAGYGMSSA-N 0 3 369.487 2.778 10 5 FFBEHN CCO[C@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2OC)C12CCOCC2 ZINC000186319805 509645583 /nfs/dbraw/zinc/64/55/83/509645583.db2.gz FSDIFAYIMUJUMS-IRXDYDNUSA-N 0 3 350.415 2.667 10 5 FFBEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000190438575 510131384 /nfs/dbraw/zinc/13/13/84/510131384.db2.gz UCURGTXZMYAGIX-INIZCTEOSA-N 0 3 369.425 2.976 10 5 FFBEHN Cc1nc(C[C@@H]2CCCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000171408938 510142040 /nfs/dbraw/zinc/14/20/40/510142040.db2.gz ZJBSXEMDYXTZLE-AWEZNQCLSA-N 0 3 373.413 2.570 10 5 FFBEHN C[C@@H]1CCCN(c2ccc(C(=O)N3CCN4CCC[C@H]4C3)cc2[N+](=O)[O-])C1 ZINC000407952280 512974823 /nfs/dbraw/zinc/97/48/23/512974823.db2.gz GCDQICCCCCLTPC-WBVHZDCISA-N 0 3 372.469 2.751 10 5 FFBEHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000588445468 965011606 /nfs/dbraw/zinc/01/16/06/965011606.db2.gz PTGTWCNQPMAAPB-XXTMNZORSA-N 0 3 361.442 2.567 10 5 FFBEHN CCCc1n[n-]c(C(=O)N2CCC[C@@H](n3cc[nH+]c3CC)C2)c1[N+](=O)[O-] ZINC000109677067 507980043 /nfs/dbraw/zinc/98/00/43/507980043.db2.gz ZNLQHBYCKWWWGH-GFCCVEGCSA-N 0 3 360.418 2.507 10 5 FFBEHN COc1ccc([C@@H]2C[C@H](C)N(CCn3cc([N+](=O)[O-])ccc3=O)C2)cc1 ZINC000159839637 508899166 /nfs/dbraw/zinc/89/91/66/508899166.db2.gz NJNXWUOZGHQIGP-GOEBONIOSA-N 0 3 357.410 2.643 10 5 FFBEHN CCCCOC[C@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000193382918 509890483 /nfs/dbraw/zinc/89/04/83/509890483.db2.gz GYJDIRAYNOXRAF-MRXNPFEDSA-N 0 3 352.431 2.616 10 5 FFBEHN CC(C)(C)OC[C@@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174248026 510023556 /nfs/dbraw/zinc/02/35/56/510023556.db2.gz AWJNLJDGKIYUEC-HNNXBMFYSA-N 0 3 352.431 2.614 10 5 FFBEHN Cc1nccn1C[C@H]1CCCN1[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000245903416 510197195 /nfs/dbraw/zinc/19/71/95/510197195.db2.gz BMBIOUILIJNURK-UKRRQHHQSA-N 0 3 357.414 2.591 10 5 FFBEHN Cc1ccc(C(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000190623754 510246177 /nfs/dbraw/zinc/24/61/77/510246177.db2.gz AKPMWJRRRSAPAS-QGZVFWFLSA-N 0 3 368.437 2.892 10 5 FFBEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000190627421 510249316 /nfs/dbraw/zinc/24/93/16/510249316.db2.gz MKLLCRFPJCPEJT-MRXNPFEDSA-N 0 3 354.410 2.584 10 5 FFBEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000190637264 510254155 /nfs/dbraw/zinc/25/41/55/510254155.db2.gz YGXKLAVDDMUWPU-AWEZNQCLSA-N 0 3 360.439 2.645 10 5 FFBEHN Cc1cccc(NC[C@H]2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000246342712 510438300 /nfs/dbraw/zinc/43/83/00/510438300.db2.gz UZMIVVVMHDASLZ-CRAIPNDOSA-N 0 3 356.426 2.766 10 5 FFBEHN O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)NCc2ccc(OCC3CC3)cc2)cc1 ZINC000191081426 510494446 /nfs/dbraw/zinc/49/44/46/510494446.db2.gz ODXBJTZUMXTNSD-VQTJNVASSA-N 0 3 372.421 2.568 10 5 FFBEHN Cc1nccn1C[C@@H]1CCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000178306253 510537781 /nfs/dbraw/zinc/53/77/81/510537781.db2.gz QKPCPTVLPKZTMJ-INIZCTEOSA-N 0 3 358.398 2.631 10 5 FFBEHN CC(C)C[C@H](CN(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181811330 510605945 /nfs/dbraw/zinc/60/59/45/510605945.db2.gz LUUYJERAWIAMDO-LLVKDONJSA-N 0 3 359.373 2.902 10 5 FFBEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000175438250 510648404 /nfs/dbraw/zinc/64/84/04/510648404.db2.gz NMFVUGCBYNVUAU-ZIAGYGMSSA-N 0 3 362.386 2.510 10 5 FFBEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000182081279 510746222 /nfs/dbraw/zinc/74/62/22/510746222.db2.gz ZPGGWAWQIRSOPF-HNNXBMFYSA-N 0 3 357.410 2.610 10 5 FFBEHN C[C@@H]1CN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CCN1 ZINC000052783500 506248791 /nfs/dbraw/zinc/24/87/91/506248791.db2.gz SFLMANDUAZEQSE-SECBINFHSA-N 0 3 351.204 2.704 10 5 FFBEHN NC(=O)c1ccc(CN2CCC[C@@H]2C[C@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000072867074 507866556 /nfs/dbraw/zinc/86/65/56/507866556.db2.gz MSQDVLVZPKBRDU-MJGOQNOKSA-N 0 3 369.421 2.782 10 5 FFBEHN Cn1cc([C@H]2CCN(Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000128361974 508582938 /nfs/dbraw/zinc/58/29/38/508582938.db2.gz UINUYPTXBNAOOA-HNNXBMFYSA-N 0 3 366.425 2.718 10 5 FFBEHN Cc1nccn1C[C@@H]1CCCN1[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000154563083 508810795 /nfs/dbraw/zinc/81/07/95/508810795.db2.gz BMBIOUILIJNURK-ZFWWWQNUSA-N 0 3 357.414 2.591 10 5 FFBEHN CN(C)[C@H]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000155129692 508929789 /nfs/dbraw/zinc/92/97/89/508929789.db2.gz RMIPBBITVBSZDZ-JTQLQIEISA-N 0 3 357.208 2.525 10 5 FFBEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000176988184 509802715 /nfs/dbraw/zinc/80/27/15/509802715.db2.gz OSXKOZBBDZNYND-MRXNPFEDSA-N 0 3 360.458 2.751 10 5 FFBEHN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCCN2CC)cc1OC ZINC000177038003 509831119 /nfs/dbraw/zinc/83/11/19/509831119.db2.gz JGAGOULLUMJCFJ-ZDUSSCGKSA-N 0 3 365.430 2.558 10 5 FFBEHN CCOc1ccc([C@H](C)N[C@H]2CCc3nc(CC)nn3C2)cc1[N+](=O)[O-] ZINC000180618477 510016794 /nfs/dbraw/zinc/01/67/94/510016794.db2.gz HXGBBIWBTYAHRA-JSGCOSHPSA-N 0 3 359.430 2.813 10 5 FFBEHN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000190543782 510194853 /nfs/dbraw/zinc/19/48/53/510194853.db2.gz NTCUTCMBTOELGF-CQSZACIVSA-N 0 3 374.466 2.954 10 5 FFBEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000246609508 510582244 /nfs/dbraw/zinc/58/22/44/510582244.db2.gz ROCOZLYCQOIFOA-OLZOCXBDSA-N 0 3 362.386 2.510 10 5 FFBEHN COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)cc1SC ZINC000246802486 510681847 /nfs/dbraw/zinc/68/18/47/510681847.db2.gz BWHQMLHRIRXADC-NEPJUHHUSA-N 0 3 365.455 2.634 10 5 FFBEHN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cc1SC ZINC000247472854 510862147 /nfs/dbraw/zinc/86/21/47/510862147.db2.gz VLTYZZLLVCIEMG-WCQYABFASA-N 0 3 367.471 2.784 10 5 FFBEHN C[C@@H]1C[C@H](C)CN(CCCNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000123755945 508734089 /nfs/dbraw/zinc/73/40/89/508734089.db2.gz JTCZVDVFXQTFGX-OKILXGFUSA-N 0 3 369.487 2.778 10 5 FFBEHN COc1cc(CN2CCC[C@@H]2Cn2ccnc2C)c([N+](=O)[O-])cc1OC ZINC000180126678 509765653 /nfs/dbraw/zinc/76/56/53/509765653.db2.gz BRMFNYRVMJSKHS-OAHLLOKOSA-N 0 3 360.414 2.782 10 5 FFBEHN CCN1CCC[C@H]1CN(C)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000177043172 509835292 /nfs/dbraw/zinc/83/52/92/509835292.db2.gz CTZCUOINRCRPDT-ZDUSSCGKSA-N 0 3 364.402 2.676 10 5 FFBEHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000190544631 510195949 /nfs/dbraw/zinc/19/59/49/510195949.db2.gz OLRNPFLYSXMQGP-AWEZNQCLSA-N 0 3 374.466 2.954 10 5 FFBEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000190640705 510254801 /nfs/dbraw/zinc/25/48/01/510254801.db2.gz IPUJIZLNYDDSCC-CQSZACIVSA-N 0 3 360.439 2.645 10 5 FFBEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182272507 510840799 /nfs/dbraw/zinc/84/07/99/510840799.db2.gz HGOORJJXNQEJNM-GFCCVEGCSA-N 0 3 357.357 2.753 10 5 FFBEHN C[C@H]1N([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCC12CCOCC2 ZINC000371814521 512586412 /nfs/dbraw/zinc/58/64/12/512586412.db2.gz FBQNREOLPRPMAL-RHSMWYFYSA-N 0 3 359.426 2.591 10 5 FFBEHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC(n4cncn4)CC3)o2)c1 ZINC000104680360 250182710 /nfs/dbraw/zinc/18/27/10/250182710.db2.gz YFFCIEAVWDGWLO-UHFFFAOYSA-N 0 3 368.397 2.721 10 5 FFBEHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H]2CN(C3CC3)CCO2)o1 ZINC000106380420 250268369 /nfs/dbraw/zinc/26/83/69/250268369.db2.gz WULCPGPUXZTTHA-MRXNPFEDSA-N 0 3 357.410 2.808 10 5 FFBEHN C[C@H](CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000180043158 509723338 /nfs/dbraw/zinc/72/33/38/509723338.db2.gz CCHLVXOBTJPPFA-OXQOHEQNSA-N 0 3 355.438 2.995 10 5 FFBEHN CN(Cc1cccnc1)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000190450788 510139574 /nfs/dbraw/zinc/13/95/74/510139574.db2.gz DBUWZNBORDZKHY-OAHLLOKOSA-N 0 3 371.397 2.856 10 5 FFBEHN O=C1CC[C@H]2CN(CCCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]2N1C1CC1 ZINC000245917619 510204837 /nfs/dbraw/zinc/20/48/37/510204837.db2.gz WHYJJVFLQQQGLA-KXBFYZLASA-N 0 3 373.453 2.839 10 5 FFBEHN CCOc1cc(N(C)C2CCN(CCn3cccn3)CC2)ccc1[N+](=O)[O-] ZINC000181050715 510257532 /nfs/dbraw/zinc/25/75/32/510257532.db2.gz KEGWDHOKGFAWKT-UHFFFAOYSA-N 0 3 373.457 2.791 10 5 FFBEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000247029211 510807617 /nfs/dbraw/zinc/80/76/17/510807617.db2.gz GGKMQPKBAQRGEM-RDJZCZTQSA-N 0 3 372.469 2.506 10 5 FFBEHN COc1cc([N+](=O)[O-])c(C(=O)NCCN2CCCC[C@@H]2C)cc1SC ZINC000103069994 250133401 /nfs/dbraw/zinc/13/34/01/250133401.db2.gz JGBMWMIARWYCIV-LBPRGKRZSA-N 0 3 367.471 2.930 10 5 FFBEHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000192600586 251293642 /nfs/dbraw/zinc/29/36/42/251293642.db2.gz VBHZAWFBRVKDQU-KRWDZBQOSA-N 0 3 368.437 2.892 10 5 FFBEHN CCc1csc([C@@H]2CCCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)n1 ZINC000090523708 507925546 /nfs/dbraw/zinc/92/55/46/507925546.db2.gz FZGVTVJQPWKDPO-CYBMUJFWSA-N 0 3 362.455 2.655 10 5 FFBEHN CN1CCN([C@@H]2CCCCN(Cc3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000182352242 509189088 /nfs/dbraw/zinc/18/90/88/509189088.db2.gz LLLHLSYNDLCHKZ-QGZVFWFLSA-N 0 3 366.893 2.850 10 5 FFBEHN CC(C)N1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H](C)C1 ZINC000182375555 509201542 /nfs/dbraw/zinc/20/15/42/509201542.db2.gz UCHRXVRMDRMXMB-GWCFXTLKSA-N 0 3 357.357 2.655 10 5 FFBEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000245520587 509981842 /nfs/dbraw/zinc/98/18/42/509981842.db2.gz JSLBDQDGJZBYQD-JQWIXIFHSA-N 0 3 355.341 2.505 10 5 FFBEHN Cc1cc(C(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)cc([N+](=O)[O-])c1 ZINC000190589146 510225664 /nfs/dbraw/zinc/22/56/64/510225664.db2.gz DGOSQDJHUKXGQK-QGZVFWFLSA-N 0 3 368.437 2.892 10 5 FFBEHN O=[N+]([O-])c1ccc(CN[C@H]2CCO[C@@]3(CCSC3)C2)c([N+](=O)[O-])c1 ZINC000194514391 510403718 /nfs/dbraw/zinc/40/37/18/510403718.db2.gz CCMBSWNJHWFAHE-WFASDCNBSA-N 0 3 353.400 2.647 10 5 FFBEHN CC(C)CCN1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000301365338 258045258 /nfs/dbraw/zinc/04/52/58/258045258.db2.gz NHSUIDQBRBGPCT-UHFFFAOYSA-N 0 3 362.430 2.720 10 5 FFBEHN CC(C)N1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)[C@@H](C)C1 ZINC000192384532 509495210 /nfs/dbraw/zinc/49/52/10/509495210.db2.gz CQWLYMXFPOJAAF-JQWIXIFHSA-N 0 3 370.247 2.816 10 5 FFBEHN CC(C)C[C@H](CN(C)C)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000068222932 507154069 /nfs/dbraw/zinc/15/40/69/507154069.db2.gz CLMKCNSULILULA-MRXNPFEDSA-N 0 3 362.474 2.901 10 5 FFBEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000122664174 508569087 /nfs/dbraw/zinc/56/90/87/508569087.db2.gz XDEZFYCTRWKHFP-CMPLNLGQSA-N 0 3 368.231 2.666 10 5 FFBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H]1c1cnn(C)c1 ZINC000173318716 509529132 /nfs/dbraw/zinc/52/91/32/509529132.db2.gz OXLDGQRETUJSKJ-INIZCTEOSA-N 0 3 373.413 2.503 10 5 FFBEHN CCCc1n[nH]c(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000179711817 509585795 /nfs/dbraw/zinc/58/57/95/509585795.db2.gz YJXPWCKUIGFVIK-ZDUSSCGKSA-N 0 3 359.430 2.521 10 5 FFBEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000190438598 510131256 /nfs/dbraw/zinc/13/12/56/510131256.db2.gz UCURGTXZMYAGIX-MRXNPFEDSA-N 0 3 369.425 2.976 10 5 FFBEHN CCN1CCC[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000194347013 510323330 /nfs/dbraw/zinc/32/33/30/510323330.db2.gz YYCLLWWQBIKNHH-JTQLQIEISA-N 0 3 358.345 2.802 10 5 FFBEHN C[C@@H]1CN(C2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)CC2)CCO1 ZINC000172179957 510586456 /nfs/dbraw/zinc/58/64/56/510586456.db2.gz YLPSSYHSHDHBRA-CYBMUJFWSA-N 0 3 353.850 2.933 10 5 FFBEHN C[C@H]1CCCN(c2ccc(C(=O)N3CCN4CCC[C@H]4C3)cc2[N+](=O)[O-])C1 ZINC000407952279 512974904 /nfs/dbraw/zinc/97/49/04/512974904.db2.gz GCDQICCCCCLTPC-RDJZCZTQSA-N 0 3 372.469 2.751 10 5 FFBEHN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCN2CCC[C@H]2C1 ZINC000051385442 507768294 /nfs/dbraw/zinc/76/82/94/507768294.db2.gz QJKQEYUDONLLJV-AWEZNQCLSA-N 0 3 358.423 2.639 10 5 FFBEHN CCCN1CCC(N(C)S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)CC1 ZINC000133717247 508439054 /nfs/dbraw/zinc/43/90/54/508439054.db2.gz UNRXEYQIXWCGAS-UHFFFAOYSA-N 0 3 373.450 2.537 10 5 FFBEHN CCOC(=O)c1ccnc(NC[C@H]2CCCN2CC(C)C)c1[N+](=O)[O-] ZINC000131488712 508939436 /nfs/dbraw/zinc/93/94/36/508939436.db2.gz VDCIOZDIWUDRKD-CYBMUJFWSA-N 0 3 350.419 2.699 10 5 FFBEHN O=[N+]([O-])c1cnn(CCN[C@@H]2CCc3c2cccc3Br)c1 ZINC000152005563 509128020 /nfs/dbraw/zinc/12/80/20/509128020.db2.gz WUNVVRBJXACWKE-CQSZACIVSA-N 0 3 351.204 2.831 10 5 FFBEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000179707808 509584073 /nfs/dbraw/zinc/58/40/73/509584073.db2.gz RFYXGTMCGOXLAZ-LBPRGKRZSA-N 0 3 360.389 2.566 10 5 FFBEHN COc1ccc(OCCN2CCC(Cn3cccn3)CC2)c([N+](=O)[O-])c1 ZINC000173694114 509725623 /nfs/dbraw/zinc/72/56/23/509725623.db2.gz YGVNHGWLMCJITP-UHFFFAOYSA-N 0 3 360.414 2.591 10 5 FFBEHN CN(Cc1cccnc1)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000190450770 510138710 /nfs/dbraw/zinc/13/87/10/510138710.db2.gz DBUWZNBORDZKHY-HNNXBMFYSA-N 0 3 371.397 2.856 10 5 FFBEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000190637831 510253872 /nfs/dbraw/zinc/25/38/72/510253872.db2.gz NLXHYPKAIXVGTJ-QGZVFWFLSA-N 0 3 368.437 2.513 10 5 FFBEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000190637811 510254066 /nfs/dbraw/zinc/25/40/66/510254066.db2.gz NLXHYPKAIXVGTJ-KRWDZBQOSA-N 0 3 368.437 2.513 10 5 FFBEHN CN(Cc1cccnc1)C[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000195299986 510771951 /nfs/dbraw/zinc/77/19/51/510771951.db2.gz GUZXBCRSROYVRM-GOSISDBHSA-N 0 3 370.453 2.823 10 5 FFBEHN Cc1cccc(Nc2ncnc(N(C)C3CCN(C)CC3)c2[N+](=O)[O-])c1 ZINC000040648558 208261645 /nfs/dbraw/zinc/26/16/45/208261645.db2.gz SKHKRYNOZOSEKN-UHFFFAOYSA-N 0 3 356.430 2.967 10 5 FFBEHN CN(C)CCN(Cc1ccccn1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000107261827 507840175 /nfs/dbraw/zinc/84/01/75/507840175.db2.gz GVSVJVMMTRNLGG-UHFFFAOYSA-N 0 3 367.409 2.675 10 5 FFBEHN CC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CCN1C[C@@H](C)O ZINC000106101527 508392862 /nfs/dbraw/zinc/39/28/62/508392862.db2.gz RMIGUYJQHPRLAW-NVXWUHKLSA-N 0 3 365.474 2.659 10 5 FFBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](Oc2cccnc2)C1 ZINC000152567877 508471758 /nfs/dbraw/zinc/47/17/58/508471758.db2.gz NMILXLOPROLTLJ-QGZVFWFLSA-N 0 3 370.409 2.780 10 5 FFBEHN CN(C)[C@H]1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000192871520 509679536 /nfs/dbraw/zinc/67/95/36/509679536.db2.gz YQGHTUUZLZHKND-INIZCTEOSA-N 0 3 369.421 2.950 10 5 FFBEHN O=c1cc(CN2CC[C@H](N3CCOCC3)C2)c2c(ccc3ccccc32)o1 ZINC000173983235 509889210 /nfs/dbraw/zinc/88/92/10/509889210.db2.gz JPXHVUJIDDXWPI-SFHVURJKSA-N 0 3 364.445 2.853 10 5 FFBEHN CCN1CCC[C@@H]1CN(C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000245459599 509948899 /nfs/dbraw/zinc/94/88/99/509948899.db2.gz DOTKZSOIKSIEQV-TZMCWYRMSA-N 0 3 368.865 2.991 10 5 FFBEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000190573998 510216307 /nfs/dbraw/zinc/21/63/07/510216307.db2.gz FAGSUCVYMBWRFM-GOSISDBHSA-N 0 3 368.437 2.513 10 5 FFBEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000246068783 510275652 /nfs/dbraw/zinc/27/56/52/510275652.db2.gz CKRXAUNMQIWBIR-MFKMUULPSA-N 0 3 357.332 2.922 10 5 FFBEHN CCOC(=O)C1CCC(O)(CN(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000190797447 510349643 /nfs/dbraw/zinc/34/96/43/510349643.db2.gz MEFKWRITJTXFKN-UHFFFAOYSA-N 0 3 350.415 2.511 10 5 FFBEHN Cc1cnn([C@H]2CCCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000106225728 250258911 /nfs/dbraw/zinc/25/89/11/250258911.db2.gz RRAMOKRQTXKYGF-HNNXBMFYSA-N 0 3 357.414 2.765 10 5 FFBEHN CNc1cc(N2CCC[C@H]2CN[C@H](C)c2cccc([N+](=O)[O-])c2)ncn1 ZINC000107303852 507842764 /nfs/dbraw/zinc/84/27/64/507842764.db2.gz MHPFEGSOQKNADE-CJNGLKHVSA-N 0 3 356.430 2.746 10 5 FFBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(c2cc[nH]n2)CC1 ZINC000160533868 508999481 /nfs/dbraw/zinc/99/94/81/508999481.db2.gz YTTKRXHWSIMSCN-UHFFFAOYSA-N 0 3 357.414 2.835 10 5 FFBEHN Cc1ccc([C@@H](C)NC[C@H](O)CN2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000151782432 509081983 /nfs/dbraw/zinc/08/19/83/509081983.db2.gz OAUBAUOTASBPRK-UZLBHIALSA-N 0 3 369.465 2.973 10 5 FFBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H]1c1cnn(C)c1 ZINC000173318730 509529110 /nfs/dbraw/zinc/52/91/10/509529110.db2.gz OXLDGQRETUJSKJ-MRXNPFEDSA-N 0 3 373.413 2.503 10 5 FFBEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000190591096 510226988 /nfs/dbraw/zinc/22/69/88/510226988.db2.gz NFQWDWJTHGLCGY-SFHVURJKSA-N 0 3 368.437 2.513 10 5 FFBEHN O=C(Nc1ccccc1)[C@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246296679 510411974 /nfs/dbraw/zinc/41/19/74/510411974.db2.gz PIOAISFIRDQQTC-QFBILLFUSA-N 0 3 369.421 2.979 10 5 FFBEHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCCN(C2CC2)CC1 ZINC000172346430 510682380 /nfs/dbraw/zinc/68/23/80/510682380.db2.gz WRFCADPLSZHNBB-LBPRGKRZSA-N 0 3 366.849 2.745 10 5 FFBEHN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000107707800 250310482 /nfs/dbraw/zinc/31/04/82/250310482.db2.gz MPJJRKPABFXKCW-MRXNPFEDSA-N 0 3 367.471 2.542 10 5 FFBEHN CN(C)CC1(CNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CCCC1 ZINC000302147256 258091163 /nfs/dbraw/zinc/09/11/63/258091163.db2.gz INYLBNUQXNAOGD-UHFFFAOYSA-N 0 3 355.460 2.532 10 5 FFBEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000113233553 508253236 /nfs/dbraw/zinc/25/32/36/508253236.db2.gz TVDROXUQFPOEJR-GOEBONIOSA-N 0 3 358.442 2.504 10 5 FFBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCCC[C@H]1n1cccn1 ZINC000127869847 508513646 /nfs/dbraw/zinc/51/36/46/508513646.db2.gz AHBFIEGXGZDING-DLBZAZTESA-N 0 3 357.414 2.812 10 5 FFBEHN CCN1CCC[C@H]1CN(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000154132485 508722686 /nfs/dbraw/zinc/72/26/86/508722686.db2.gz OTDUBNDYPYAOQS-ZDUSSCGKSA-N 0 3 370.247 2.914 10 5 FFBEHN Cc1ccc([C@H](C)NC[C@H](O)CN2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000151782512 509081820 /nfs/dbraw/zinc/08/18/20/509081820.db2.gz OAUBAUOTASBPRK-JXFKEZNVSA-N 0 3 369.465 2.973 10 5 FFBEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000182375536 509201565 /nfs/dbraw/zinc/20/15/65/509201565.db2.gz UCHRXVRMDRMXMB-MFKMUULPSA-N 0 3 357.357 2.655 10 5 FFBEHN CCN1CCC[C@H]1CN(C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000177005102 509814585 /nfs/dbraw/zinc/81/45/85/509814585.db2.gz DYTOOKWKDRVFPS-KRWDZBQOSA-N 0 3 374.485 2.754 10 5 FFBEHN Cc1nccn1C[C@@H]1CCCN1[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000245952523 510225946 /nfs/dbraw/zinc/22/59/46/510225946.db2.gz PREGGWWJPPEVLB-DYVFJYSZSA-N 0 3 357.414 2.591 10 5 FFBEHN Cc1nccn1C[C@H]1CCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000178306270 510537884 /nfs/dbraw/zinc/53/78/84/510537884.db2.gz QKPCPTVLPKZTMJ-MRXNPFEDSA-N 0 3 358.398 2.631 10 5 FFBEHN O=C(CCN1CC[C@@H](Oc2cccnc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000181746177 510571854 /nfs/dbraw/zinc/57/18/54/510571854.db2.gz MLPZMWJUFJYZPP-OAHLLOKOSA-N 0 3 374.372 2.611 10 5 FFBEHN COc1cc(C(=O)N[C@@H](CN(C)C)c2ccccc2)cc([N+](=O)[O-])c1C ZINC000191366380 510624639 /nfs/dbraw/zinc/62/46/39/510624639.db2.gz GHXVSEVOZCOKHM-INIZCTEOSA-N 0 3 357.410 2.945 10 5 FFBEHN COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195273822 510751719 /nfs/dbraw/zinc/75/17/19/510751719.db2.gz ZBNVNOGFHONGEM-QGZVFWFLSA-N 0 3 370.453 2.952 10 5 FFBEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000247485374 510862758 /nfs/dbraw/zinc/86/27/58/510862758.db2.gz TVDROXUQFPOEJR-HOCLYGCPSA-N 0 3 358.442 2.504 10 5 FFBEHN Cc1cc(N2CCC[C@H]2CN2CCC[C@@H]2CO)c(Cl)cc1[N+](=O)[O-] ZINC000301700746 258063566 /nfs/dbraw/zinc/06/35/66/258063566.db2.gz DIBUABBVSUCIMA-UONOGXRCSA-N 0 3 353.850 2.982 10 5 FFBEHN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCN2CCC[C@@H]2C1 ZINC000051385441 507767564 /nfs/dbraw/zinc/76/75/64/507767564.db2.gz QJKQEYUDONLLJV-CQSZACIVSA-N 0 3 358.423 2.639 10 5 FFBEHN CNc1cc(N2CCC[C@H]2CN[C@@H](C)c2cccc([N+](=O)[O-])c2)ncn1 ZINC000107303850 507842730 /nfs/dbraw/zinc/84/27/30/507842730.db2.gz MHPFEGSOQKNADE-BBRMVZONSA-N 0 3 356.430 2.746 10 5 FFBEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000121382092 509170830 /nfs/dbraw/zinc/17/08/30/509170830.db2.gz GOVLNBXEPRZTGZ-ZWNOBZJWSA-N 0 3 368.231 2.666 10 5 FFBEHN O=C(CCN1CCCN(c2ccccn2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000183827454 509994669 /nfs/dbraw/zinc/99/46/69/509994669.db2.gz HLMAGOQHTNOLAC-UHFFFAOYSA-N 0 3 369.425 2.531 10 5 FFBEHN C[C@@H]1CN(C2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)CCO1 ZINC000177947330 510342434 /nfs/dbraw/zinc/34/24/34/510342434.db2.gz DUTBLWOMEUBCTJ-CYBMUJFWSA-N 0 3 353.850 2.933 10 5 FFBEHN Cc1ccc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000407971943 512977806 /nfs/dbraw/zinc/97/78/06/512977806.db2.gz KDTPJSDOZJPQKV-UHFFFAOYSA-N 0 3 367.471 2.542 10 5 FFBEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000155643552 509043454 /nfs/dbraw/zinc/04/34/54/509043454.db2.gz XCPBGJFGWSYHFW-YGRLFVJLSA-N 0 3 370.247 2.816 10 5 FFBEHN Cc1c([C@H](C)NC[C@H](O)CN2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000151788095 509083497 /nfs/dbraw/zinc/08/34/97/509083497.db2.gz COTLWQBJUWKGRR-LPHOPBHVSA-N 0 3 369.465 2.973 10 5 FFBEHN Cc1nccn1C[C@H]1CCCN1[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000245899646 510195912 /nfs/dbraw/zinc/19/59/12/510195912.db2.gz AQEZSAOLUPZNHS-CXAGYDPISA-N 0 3 357.414 2.591 10 5 FFBEHN CNc1cc(N2CCC[C@H]2CN[C@H](C)c2ccc([N+](=O)[O-])cc2)ncn1 ZINC000178222394 510495077 /nfs/dbraw/zinc/49/50/77/510495077.db2.gz TYEQHUFZHDWWNZ-CJNGLKHVSA-N 0 3 356.430 2.746 10 5 FFBEHN CCN1CCC[C@@H](NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000155112290 728820892 /nfs/dbraw/zinc/82/08/92/728820892.db2.gz OTXLPOCDCHJVJN-LLVKDONJSA-N 0 3 371.235 2.963 10 5 FFBEHN O=[N+]([O-])c1ccc(OCCCN2CCC(Nc3cccnn3)CC2)cc1 ZINC000106080043 250233176 /nfs/dbraw/zinc/23/31/76/250233176.db2.gz ZJTDRZRBDFOPRU-UHFFFAOYSA-N 0 3 357.414 2.730 10 5 FFBEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000113228137 508252064 /nfs/dbraw/zinc/25/20/64/508252064.db2.gz WZIGIVRRLXMKCP-GDBMZVCRSA-N 0 3 358.442 2.504 10 5 FFBEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000179707879 509584602 /nfs/dbraw/zinc/58/46/02/509584602.db2.gz HVJIEIPVTOIQKH-HNNXBMFYSA-N 0 3 356.426 2.643 10 5 FFBEHN COc1ccc(OCCN2CC[C@@H](CNc3ccccn3)C2)c([N+](=O)[O-])c1 ZINC000173779587 509772483 /nfs/dbraw/zinc/77/24/83/509772483.db2.gz XHVPUSRASYIQBG-HNNXBMFYSA-N 0 3 372.425 2.811 10 5 FFBEHN CCN1CCC[C@@H]1CN(C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000177705144 510208055 /nfs/dbraw/zinc/20/80/55/510208055.db2.gz BTLFLUBCJRCMMT-CYBMUJFWSA-N 0 3 354.838 2.603 10 5 FFBEHN CCN1CCC[C@H]1CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000177707656 510208336 /nfs/dbraw/zinc/20/83/36/510208336.db2.gz YMBHLINLQUNECP-ZDUSSCGKSA-N 0 3 354.838 2.603 10 5 FFBEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000246254382 510390950 /nfs/dbraw/zinc/39/09/50/510390950.db2.gz XDEZFYCTRWKHFP-JQWIXIFHSA-N 0 3 368.231 2.666 10 5 FFBEHN CNc1cc(N2CCC[C@@H]2CN[C@H](C)c2ccc([N+](=O)[O-])cc2)ncn1 ZINC000178222416 510495498 /nfs/dbraw/zinc/49/54/98/510495498.db2.gz TYEQHUFZHDWWNZ-CZUORRHYSA-N 0 3 356.430 2.746 10 5 FFBEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000246609514 510582504 /nfs/dbraw/zinc/58/25/04/510582504.db2.gz ROCOZLYCQOIFOA-STQMWFEESA-N 0 3 362.386 2.510 10 5 FFBEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000175438274 510647045 /nfs/dbraw/zinc/64/70/45/510647045.db2.gz NMFVUGCBYNVUAU-UONOGXRCSA-N 0 3 362.386 2.510 10 5 FFBEHN O=[N+]([O-])c1ccc(CO)cc1NCc1ccccc1CN1CCC(O)CC1 ZINC000302022496 258083013 /nfs/dbraw/zinc/08/30/13/258083013.db2.gz GEMVKGVORYIYJR-UHFFFAOYSA-N 0 3 371.437 2.656 10 5 FFBEHN CCc1csc([C@H]2CCCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)n1 ZINC000090523715 507925456 /nfs/dbraw/zinc/92/54/56/507925456.db2.gz FZGVTVJQPWKDPO-ZDUSSCGKSA-N 0 3 362.455 2.655 10 5 FFBEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000113226806 508251866 /nfs/dbraw/zinc/25/18/66/508251866.db2.gz GGKMQPKBAQRGEM-NVXWUHKLSA-N 0 3 372.469 2.506 10 5 FFBEHN CCOCCN1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1CC ZINC000106117003 508395486 /nfs/dbraw/zinc/39/54/86/508395486.db2.gz VZYKGDWXXOOCQF-MRXNPFEDSA-N 0 3 351.447 2.536 10 5 FFBEHN Cc1nccn1C[C@@H]1CCCN1[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000154575098 508812639 /nfs/dbraw/zinc/81/26/39/508812639.db2.gz AQEZSAOLUPZNHS-GUYCJALGSA-N 0 3 357.414 2.591 10 5 FFBEHN COc1ccc([C@H]2C[C@@H](C)N(CCn3cc([N+](=O)[O-])ccc3=O)C2)cc1 ZINC000159839220 508899627 /nfs/dbraw/zinc/89/96/27/508899627.db2.gz NJNXWUOZGHQIGP-ZBFHGGJFSA-N 0 3 357.410 2.643 10 5 FFBEHN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cc1SC ZINC000155767737 509068161 /nfs/dbraw/zinc/06/81/61/509068161.db2.gz VLTYZZLLVCIEMG-YPMHNXCESA-N 0 3 367.471 2.784 10 5 FFBEHN Cc1sc(C(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000190601961 510232336 /nfs/dbraw/zinc/23/23/36/510232336.db2.gz FDQOIHKBFAANNH-HNNXBMFYSA-N 0 3 374.466 2.954 10 5 FFBEHN O=[N+]([O-])c1ccc(CN[C@@H]2CCO[C@]3(CCSC3)C2)c([N+](=O)[O-])c1 ZINC000194514339 510403306 /nfs/dbraw/zinc/40/33/06/510403306.db2.gz CCMBSWNJHWFAHE-IUODEOHRSA-N 0 3 353.400 2.647 10 5 FFBEHN Cc1c(F)cc(S(=O)(=O)N(C)CC[C@H]2CCCCN2C)cc1[N+](=O)[O-] ZINC000184947588 510599381 /nfs/dbraw/zinc/59/93/81/510599381.db2.gz NMXIUADDRRWQPP-CYBMUJFWSA-N 0 3 373.450 2.537 10 5 FFBEHN CC(C)N1C[C@H](C)[C@H](NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000246742173 510647672 /nfs/dbraw/zinc/64/76/72/510647672.db2.gz BALLVAGIJWENRH-HEHGZKQESA-N 0 3 351.472 2.920 10 5 FFBEHN C[C@H]1CCCN(c2ccc(C(=O)N3CCN4CCC[C@@H]4C3)cc2[N+](=O)[O-])C1 ZINC000407952272 512974667 /nfs/dbraw/zinc/97/46/67/512974667.db2.gz GCDQICCCCCLTPC-DOTOQJQBSA-N 0 3 372.469 2.751 10 5 FFBEHN Cc1nc(C)n(C[C@@H]2CCCN(CCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000106177439 250250063 /nfs/dbraw/zinc/25/00/63/250250063.db2.gz AEQCKGVWJNSSTL-MRXNPFEDSA-N 0 3 359.430 2.594 10 5 FFBEHN Cc1ncsc1CN(C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000192541688 251284838 /nfs/dbraw/zinc/28/48/38/251284838.db2.gz VEBZMCQSMFOBCP-NSHDSACASA-N 0 3 353.473 2.775 10 5 FFBEHN Cc1cc(N2CCC[C@H]2CN2CCC[C@H]2CO)c(Cl)cc1[N+](=O)[O-] ZINC000301700744 258063616 /nfs/dbraw/zinc/06/36/16/258063616.db2.gz DIBUABBVSUCIMA-KBPBESRZSA-N 0 3 353.850 2.982 10 5 FFBEHN COc1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCCN3C[C@H]2C)cc1SC ZINC000113226920 508252438 /nfs/dbraw/zinc/25/24/38/508252438.db2.gz BWHQMLHRIRXADC-VXGBXAGGSA-N 0 3 365.455 2.634 10 5 FFBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCC[C@H]1c1cn[nH]c1 ZINC000114482928 508320365 /nfs/dbraw/zinc/32/03/65/508320365.db2.gz MLQCBQDTJFEBPV-INIZCTEOSA-N 0 3 373.413 2.882 10 5 FFBEHN CCN1CCC[C@@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116753277 508555018 /nfs/dbraw/zinc/55/50/18/508555018.db2.gz UCECSGNCYOHMAP-CYBMUJFWSA-N 0 3 355.822 2.618 10 5 FFBEHN CCOc1cc(C(=O)N[C@H](CC(C)C)CN(C)C)c([N+](=O)[O-])cc1OC ZINC000128913067 508658616 /nfs/dbraw/zinc/65/86/16/508658616.db2.gz AWSGEWSRWVDKFN-CYBMUJFWSA-N 0 3 367.446 2.708 10 5 FFBEHN Cc1c([C@@H](C)NC[C@H](O)CN2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000151788029 509083869 /nfs/dbraw/zinc/08/38/69/509083869.db2.gz COTLWQBJUWKGRR-APWZRJJASA-N 0 3 369.465 2.973 10 5 FFBEHN CN(C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCCN(c2cccnn2)C1 ZINC000255715010 509933653 /nfs/dbraw/zinc/93/36/53/509933653.db2.gz CHAHDMUBMVQNKH-AFCDSYGPSA-N 0 3 353.426 2.999 10 5 FFBEHN Cc1cccc(C(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)c1[N+](=O)[O-] ZINC000190601387 510232730 /nfs/dbraw/zinc/23/27/30/510232730.db2.gz QVHJXCYXUUBFHQ-QGZVFWFLSA-N 0 3 368.437 2.892 10 5 FFBEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000190648877 510260557 /nfs/dbraw/zinc/26/05/57/510260557.db2.gz KGRXYQXIZITADM-INIZCTEOSA-N 0 3 354.410 2.584 10 5 FFBEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000181284312 510338915 /nfs/dbraw/zinc/33/89/15/510338915.db2.gz FRGCPOPAQUYIFF-HNNXBMFYSA-N 0 3 356.426 2.915 10 5 FFBEHN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCN2CCC[C@H]2C1 ZINC000184614381 510419258 /nfs/dbraw/zinc/41/92/58/510419258.db2.gz DPGSUCKTQWIKLE-NSHDSACASA-N 0 3 358.320 2.926 10 5 FFBEHN CN(Cc1cccnc1)C[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000195299967 510772007 /nfs/dbraw/zinc/77/20/07/510772007.db2.gz GUZXBCRSROYVRM-SFHVURJKSA-N 0 3 370.453 2.823 10 5 FFBEHN Cc1nn(C)c(C)c1[C@@H]1CCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182239422 510829812 /nfs/dbraw/zinc/82/98/12/510829812.db2.gz QRLRCYVCUSMNHM-RDJZCZTQSA-N 0 3 374.441 2.522 10 5 FFBEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000247524622 510864187 /nfs/dbraw/zinc/86/41/87/510864187.db2.gz WZIGIVRRLXMKCP-HOCLYGCPSA-N 0 3 358.442 2.504 10 5 FFBEHN Cc1cc(Nc2cnn(CCN(C)C)c2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301227613 511692416 /nfs/dbraw/zinc/69/24/16/511692416.db2.gz HLBPBZKKTUKCFI-UHFFFAOYSA-N 0 3 367.413 2.862 10 5 FFBEHN CCC[NH+](CCC)CCc1cccc([N+](=O)[O-])c1C=C([O-])C(=O)OCC ZINC000022005664 211334183 /nfs/dbraw/zinc/33/41/83/211334183.db2.gz WOOIUFZMYXSJNR-UHFFFAOYSA-N 0 3 364.442 2.934 10 5 FFBEHN Cc1ccc(N2CCCN(CCCOc3ccc([N+](=O)[O-])cc3)CC2)nn1 ZINC000106071728 250230668 /nfs/dbraw/zinc/23/06/68/250230668.db2.gz JBEJBSMACDSHTC-UHFFFAOYSA-N 0 3 371.441 2.674 10 5 FFBEHN Cc1cnn([C@@H]2CCCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000106225589 250258433 /nfs/dbraw/zinc/25/84/33/250258433.db2.gz IZNFPVMOFAVFKN-QGZVFWFLSA-N 0 3 357.414 2.765 10 5 FFBEHN CC1CCN(C[C@H](O)CNc2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000301696415 258063457 /nfs/dbraw/zinc/06/34/57/258063457.db2.gz YYDSBLAUZVDOCP-CYBMUJFWSA-N 0 3 372.263 2.862 10 5 FFBEHN NC(=O)c1ccc(CN2CCC[C@@H]2C[C@@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000072867070 507866784 /nfs/dbraw/zinc/86/67/84/507866784.db2.gz MSQDVLVZPKBRDU-IEBWSBKVSA-N 0 3 369.421 2.782 10 5 FFBEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000113233550 508253137 /nfs/dbraw/zinc/25/31/37/508253137.db2.gz TVDROXUQFPOEJR-GDBMZVCRSA-N 0 3 358.442 2.504 10 5 FFBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000128698485 508630867 /nfs/dbraw/zinc/63/08/67/508630867.db2.gz INQOIYDDZAOGDG-ZBFHGGJFSA-N 0 3 373.413 2.512 10 5 FFBEHN CN(C(=O)CN[C@H]1CCCC[C@H]1n1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000128971543 508665467 /nfs/dbraw/zinc/66/54/67/508665467.db2.gz VOJGXXYLBFAEKZ-DLBZAZTESA-N 0 3 357.414 2.528 10 5 FFBEHN CN(CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Cc1ccc(F)cc1 ZINC000160581304 509005614 /nfs/dbraw/zinc/00/56/14/509005614.db2.gz VVMNMBJFAPPZMJ-KRWDZBQOSA-N 0 3 373.432 2.747 10 5 FFBEHN CCO[C@H]1C[C@H](NCc2ccc(OC)c([N+](=O)[O-])c2)C12CCOCC2 ZINC000186292107 509628936 /nfs/dbraw/zinc/62/89/36/509628936.db2.gz BRIRSYQVBHPAFZ-IRXDYDNUSA-N 0 3 350.415 2.667 10 5 FFBEHN CCN1CCC[C@@H]1CN(C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000177005085 509813954 /nfs/dbraw/zinc/81/39/54/509813954.db2.gz DYTOOKWKDRVFPS-QGZVFWFLSA-N 0 3 374.485 2.754 10 5 FFBEHN CCOc1cc(C(=O)N(C)C[C@H]2CCCN2CC)c([N+](=O)[O-])cc1OC ZINC000177009175 509815544 /nfs/dbraw/zinc/81/55/44/509815544.db2.gz DOAACDWKADAHKX-CYBMUJFWSA-N 0 3 365.430 2.558 10 5 FFBEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000177024175 509824717 /nfs/dbraw/zinc/82/47/17/509824717.db2.gz SIMQNOSYHDHOML-LBPRGKRZSA-N 0 3 370.247 2.914 10 5 FFBEHN Cc1nccn1C[C@@H]1CCCN1[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000245957167 510227754 /nfs/dbraw/zinc/22/77/54/510227754.db2.gz QYNATXINNUKYHK-ZBFHGGJFSA-N 0 3 371.441 2.900 10 5 FFBEHN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246337172 510432911 /nfs/dbraw/zinc/43/29/11/510432911.db2.gz UBUDSOHOMVXJDQ-AUUYWEPGSA-N 0 3 367.409 2.902 10 5 FFBEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000175436856 510646130 /nfs/dbraw/zinc/64/61/30/510646130.db2.gz ROCOZLYCQOIFOA-QWHCGFSZSA-N 0 3 362.386 2.510 10 5 FFBEHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H]2CN(C3CC3)CCO2)o1 ZINC000106380422 250267008 /nfs/dbraw/zinc/26/70/08/250267008.db2.gz WULCPGPUXZTTHA-INIZCTEOSA-N 0 3 357.410 2.808 10 5 FFBEHN CN(C)C[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000054646373 506594296 /nfs/dbraw/zinc/59/42/96/506594296.db2.gz JFUUQXBLJZNLFW-GOSISDBHSA-N 0 3 356.426 2.739 10 5 FFBEHN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCN2CCC[C@H]2C1 ZINC000051385444 507768034 /nfs/dbraw/zinc/76/80/34/507768034.db2.gz CMDDMHPZAFAPSD-AWEZNQCLSA-N 0 3 358.423 2.639 10 5 FFBEHN CCOCCN1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1CC ZINC000106117004 508395568 /nfs/dbraw/zinc/39/55/68/508395568.db2.gz VZYKGDWXXOOCQF-INIZCTEOSA-N 0 3 351.447 2.536 10 5 FFBEHN CN(Cc1c(F)cccc1[N+](=O)[O-])C1CCN(CCn2cccn2)CC1 ZINC000106128575 508396216 /nfs/dbraw/zinc/39/62/16/508396216.db2.gz AYCNJRWCUQWXGF-UHFFFAOYSA-N 0 3 361.421 2.527 10 5 FFBEHN COc1ccc(NC(=O)CN[C@@H]2CCCC[C@@H]2n2cccn2)c([N+](=O)[O-])c1 ZINC000128413420 508589706 /nfs/dbraw/zinc/58/97/06/508589706.db2.gz YHWSUQMXOOYVQE-ZBFHGGJFSA-N 0 3 373.413 2.512 10 5 FFBEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000131111697 508888483 /nfs/dbraw/zinc/88/84/83/508888483.db2.gz CKRXAUNMQIWBIR-GXFFZTMASA-N 0 3 357.332 2.922 10 5 FFBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC(c2ccn[nH]2)CC1 ZINC000195506773 509200528 /nfs/dbraw/zinc/20/05/28/509200528.db2.gz ZGWIAFRPNFCQNO-LBPRGKRZSA-N 0 3 373.413 2.533 10 5 FFBEHN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)c1ccnc(N)c1[N+](=O)[O-] ZINC000217511415 509270310 /nfs/dbraw/zinc/27/03/10/509270310.db2.gz JATAAJRHZLGAFY-PBHICJAKSA-N 0 3 355.442 2.919 10 5 FFBEHN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCN2CCC[C@H]2C1 ZINC000179420378 509434220 /nfs/dbraw/zinc/43/42/20/509434220.db2.gz AVBFKOQGRZFVKW-NSHDSACASA-N 0 3 369.219 2.669 10 5 FFBEHN COc1cc(CN[C@@H](C)[C@@H]2CCCO2)c([N+](=O)[O-])cc1OCC(F)F ZINC000183188185 509646459 /nfs/dbraw/zinc/64/64/59/509646459.db2.gz OTLCJKUXECMFFK-GWCFXTLKSA-N 0 3 360.357 2.904 10 5 FFBEHN COc1cc(C(=O)N[C@H](CN(C)C)c2ccccc2)cc([N+](=O)[O-])c1C ZINC000191366394 510625389 /nfs/dbraw/zinc/62/53/89/510625389.db2.gz GHXVSEVOZCOKHM-MRXNPFEDSA-N 0 3 357.410 2.945 10 5 FFBEHN Cc1nn(C)c(C)c1[C@@H]1CCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247807553 510870750 /nfs/dbraw/zinc/87/07/50/510870750.db2.gz TWAJPDPJDGMKTA-AEFFLSMTSA-N 0 3 374.441 2.522 10 5 FFBEHN Cc1nc(C)n(C[C@@H]2CCCN(CCOc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000106178172 250249662 /nfs/dbraw/zinc/24/96/62/250249662.db2.gz ZVHDTWDDKRTCNZ-MRXNPFEDSA-N 0 3 359.430 2.594 10 5 FFBEHN Cc1nn(C)c(C)c1[C@@H]1CCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000106207854 250255580 /nfs/dbraw/zinc/25/55/80/250255580.db2.gz TWAJPDPJDGMKTA-WMZOPIPTSA-N 0 3 374.441 2.522 10 5 FFBEHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000107707873 250311603 /nfs/dbraw/zinc/31/16/03/250311603.db2.gz YQZAUXVCTLZLQN-OAHLLOKOSA-N 0 3 367.471 2.542 10 5 FFBEHN CN(C)C[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000032273341 506237663 /nfs/dbraw/zinc/23/76/63/506237663.db2.gz LWQHZFIYXNORKL-MRXNPFEDSA-N 0 3 353.382 2.504 10 5 FFBEHN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCCC[C@@H](N2CCCC2)C1 ZINC000107524771 507855754 /nfs/dbraw/zinc/85/57/54/507855754.db2.gz XSSWDLGJUVJZPD-CQSZACIVSA-N 0 3 362.386 2.594 10 5 FFBEHN CN(CC1CCN(C[C@H](O)c2ccccc2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000112556673 508197337 /nfs/dbraw/zinc/19/73/37/508197337.db2.gz JZFSHLLZPOVNTN-IBGZPJMESA-N 0 3 370.453 2.872 10 5 FFBEHN COc1cc(CN[C@@H](C)[C@H]2CCCO2)c([N+](=O)[O-])cc1OCC(F)F ZINC000183188220 509646402 /nfs/dbraw/zinc/64/64/02/509646402.db2.gz OTLCJKUXECMFFK-GXFFZTMASA-N 0 3 360.357 2.904 10 5 FFBEHN COc1ccc(OCCN2CCC[C@@H]2Cn2ccnc2C)c([N+](=O)[O-])c1 ZINC000178302429 510535886 /nfs/dbraw/zinc/53/58/86/510535886.db2.gz DQXXVLUIIBYVLM-OAHLLOKOSA-N 0 3 360.414 2.652 10 5 FFBEHN Cc1cnn([C@H]2CCCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000106225592 250258929 /nfs/dbraw/zinc/25/89/29/250258929.db2.gz IZNFPVMOFAVFKN-KRWDZBQOSA-N 0 3 357.414 2.765 10 5 FFBEHN Cn1cc(CN2CCN3CCCC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092615971 508087117 /nfs/dbraw/zinc/08/71/17/508087117.db2.gz DWDLYNGKYMZORY-GOSISDBHSA-N 0 3 355.442 2.665 10 5 FFBEHN CN(C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCCN(c2cccnn2)C1 ZINC000120180579 508944876 /nfs/dbraw/zinc/94/48/76/508944876.db2.gz CHAHDMUBMVQNKH-JZLODUJNSA-N 0 3 353.426 2.999 10 5 FFBEHN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H](N(C)C)C2)CC1 ZINC000170858995 509816322 /nfs/dbraw/zinc/81/63/22/509816322.db2.gz ULGVQEJRCAEDRM-INIZCTEOSA-N 0 3 360.458 2.607 10 5 FFBEHN C[C@H]1CN(C2CCN(CCCOc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000193429095 509912202 /nfs/dbraw/zinc/91/22/02/509912202.db2.gz LQTMPWOYGSJBGD-INIZCTEOSA-N 0 3 363.458 2.549 10 5 FFBEHN COc1ccc(CN2CC[C@H](CN(C)Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000190490186 510160680 /nfs/dbraw/zinc/16/06/80/510160680.db2.gz ZJEIFHQOXXOZOX-GOSISDBHSA-N 0 3 370.453 2.952 10 5 FFBEHN Cc1ccc(C(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000190623774 510245696 /nfs/dbraw/zinc/24/56/96/510245696.db2.gz AKPMWJRRRSAPAS-KRWDZBQOSA-N 0 3 368.437 2.892 10 5 FFBEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000190629937 510251117 /nfs/dbraw/zinc/25/11/17/510251117.db2.gz WYOOXVIIEKIJCN-OAHLLOKOSA-N 0 3 372.400 2.723 10 5 FFBEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000246755670 510655277 /nfs/dbraw/zinc/65/52/77/510655277.db2.gz BNTJILYJKXMJEL-NVXWUHKLSA-N 0 3 374.485 2.656 10 5 FFBEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000246755660 510656344 /nfs/dbraw/zinc/65/63/44/510656344.db2.gz BNTJILYJKXMJEL-DOTOQJQBSA-N 0 3 374.485 2.656 10 5 FFBEHN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCCN(C2CC2)CC1 ZINC000172346456 510683363 /nfs/dbraw/zinc/68/33/63/510683363.db2.gz WQTXEFCSSQHMQD-LBPRGKRZSA-N 0 3 366.849 2.745 10 5 FFBEHN Cc1nccn1C[C@@H]1CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000178746804 510751552 /nfs/dbraw/zinc/75/15/52/510751552.db2.gz NITLKRLLNXRCGR-INIZCTEOSA-N 0 3 357.414 2.511 10 5 FFBEHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000588445467 965012039 /nfs/dbraw/zinc/01/20/39/965012039.db2.gz PTGTWCNQPMAAPB-OJSRQPNCSA-N 0 3 361.442 2.567 10 5 FFBEHN Cc1nc(C[C@H]2CCCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)no1 ZINC000103150266 250137096 /nfs/dbraw/zinc/13/70/96/250137096.db2.gz GMSUKIQJBFTZGD-CQSZACIVSA-N 0 3 373.413 2.570 10 5 FFBEHN Cc1nc(C)n(C[C@H]2CCCN(CCOc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000106178176 250249042 /nfs/dbraw/zinc/24/90/42/250249042.db2.gz ZVHDTWDDKRTCNZ-INIZCTEOSA-N 0 3 359.430 2.594 10 5 FFBEHN CC[C@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCN1C[C@@H](C)O ZINC000153539632 251150347 /nfs/dbraw/zinc/15/03/47/251150347.db2.gz TXQAHJAGLGIUHZ-PBHICJAKSA-N 0 3 374.441 2.527 10 5 FFBEHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000302788815 258110768 /nfs/dbraw/zinc/11/07/68/258110768.db2.gz CYMVNZFDOSKUEV-IBGZPJMESA-N 0 3 359.401 2.807 10 5 FFBEHN CN(CC1CCN(C[C@H](O)c2ccccc2)CC1)c1ncccc1[N+](=O)[O-] ZINC000110561089 508033831 /nfs/dbraw/zinc/03/38/31/508033831.db2.gz XYRZCUHHQZURJB-IBGZPJMESA-N 0 3 370.453 2.872 10 5 FFBEHN Cc1cccc(NC[C@@H]2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000137021193 508732707 /nfs/dbraw/zinc/73/27/07/508732707.db2.gz UZMIVVVMHDASLZ-YJBOKZPZSA-N 0 3 356.426 2.766 10 5 FFBEHN CN1CCN([C@H]2CCCCN(c3ccc4ncccc4c3[N+](=O)[O-])C2)CC1 ZINC000127085049 509165643 /nfs/dbraw/zinc/16/56/43/509165643.db2.gz FBSGWUGOXHZSBG-INIZCTEOSA-N 0 3 369.469 2.749 10 5 FFBEHN O=[N+]([O-])c1cccc(-c2noc(CN3CCC(c4ccn[nH]4)CC3)n2)c1 ZINC000195507610 509199704 /nfs/dbraw/zinc/19/97/04/509199704.db2.gz WBBRUKPFQDNPFY-UHFFFAOYSA-N 0 3 354.370 2.748 10 5 FFBEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000176982496 509797909 /nfs/dbraw/zinc/79/79/09/509797909.db2.gz OKWIJAKODONZLP-GFCCVEGCSA-N 0 3 367.471 2.882 10 5 FFBEHN CN(Cc1cccnc1)C[C@@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000190448006 510136587 /nfs/dbraw/zinc/13/65/87/510136587.db2.gz VQOUCQGBOICUEL-AWEZNQCLSA-N 0 3 361.833 2.997 10 5 FFBEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000190645161 510259136 /nfs/dbraw/zinc/25/91/36/510259136.db2.gz CXKKFQDRQAXOHU-HNNXBMFYSA-N 0 3 372.400 2.723 10 5 FFBEHN Cn1cc(CN[C@@H]2Cc3ccccc3[C@@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000172068131 510525629 /nfs/dbraw/zinc/52/56/29/510525629.db2.gz YQROFCYSOMLZCR-QUCCMNQESA-N 0 3 364.405 2.743 10 5 FFBEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000182075713 510742599 /nfs/dbraw/zinc/74/25/99/510742599.db2.gz YDVPZAWPWDUDRK-HNNXBMFYSA-N 0 3 357.410 2.610 10 5 FFBEHN Cc1nccn1C[C@H]1CCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000178747187 510751679 /nfs/dbraw/zinc/75/16/79/510751679.db2.gz WZPITTKHWVCVSH-MRXNPFEDSA-N 0 3 368.397 2.814 10 5 FFBEHN CCN1CCC[C@H]1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182272526 510840326 /nfs/dbraw/zinc/84/03/26/510840326.db2.gz HGOORJJXNQEJNM-LBPRGKRZSA-N 0 3 357.357 2.753 10 5 FFBEHN CNc1cc(N2CCC[C@@H]2CN[C@H](C)c2cccc([N+](=O)[O-])c2)ncn1 ZINC000107303857 507842827 /nfs/dbraw/zinc/84/28/27/507842827.db2.gz MHPFEGSOQKNADE-CZUORRHYSA-N 0 3 356.430 2.746 10 5 FFBEHN COc1cc(CN2CCC(Cc3nccn3C)CC2)c([N+](=O)[O-])cc1OC ZINC000121778349 508416856 /nfs/dbraw/zinc/41/68/56/508416856.db2.gz PFDVEQKEKJURII-UHFFFAOYSA-N 0 3 374.441 2.800 10 5 FFBEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000248409516 509303804 /nfs/dbraw/zinc/30/38/04/509303804.db2.gz GCMUUCPASOUYKJ-QWRGUYRKSA-N 0 3 368.231 2.666 10 5 FFBEHN COc1cc(CN[C@H](C)[C@H]2CCCO2)c([N+](=O)[O-])cc1OCC(F)F ZINC000183188231 509647035 /nfs/dbraw/zinc/64/70/35/509647035.db2.gz OTLCJKUXECMFFK-ZWNOBZJWSA-N 0 3 360.357 2.904 10 5 FFBEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000176988199 509802621 /nfs/dbraw/zinc/80/26/21/509802621.db2.gz OSXKOZBBDZNYND-INIZCTEOSA-N 0 3 360.458 2.751 10 5 FFBEHN CCOc1ccc([C@@H](C)N[C@H]2CCc3nc(CC)nn3C2)cc1[N+](=O)[O-] ZINC000180618507 510016991 /nfs/dbraw/zinc/01/69/91/510016991.db2.gz HXGBBIWBTYAHRA-OCCSQVGLSA-N 0 3 359.430 2.813 10 5 FFBEHN COc1cc(CN2CCN3CCC[C@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000245973659 510234002 /nfs/dbraw/zinc/23/40/02/510234002.db2.gz OITZVJLBLYSAIN-ZDUSSCGKSA-N 0 3 371.384 2.527 10 5 FFBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190653249 510263083 /nfs/dbraw/zinc/26/30/83/510263083.db2.gz SQJYHLQEJZTPTG-KRWDZBQOSA-N 0 3 368.437 2.892 10 5 FFBEHN O=C(Nc1ccccc1)[C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246296697 510411523 /nfs/dbraw/zinc/41/15/23/510411523.db2.gz PIOAISFIRDQQTC-VQIMIIECSA-N 0 3 369.421 2.979 10 5 FFBEHN COc1ccc(OCCN2CCC[C@H]2Cn2ccnc2C)c([N+](=O)[O-])c1 ZINC000178302415 510535309 /nfs/dbraw/zinc/53/53/09/510535309.db2.gz DQXXVLUIIBYVLM-HNNXBMFYSA-N 0 3 360.414 2.652 10 5 FFBEHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCCN(C2CC2)CC1 ZINC000172496735 510754509 /nfs/dbraw/zinc/75/45/09/510754509.db2.gz MYMJVOCTARBJMN-UHFFFAOYSA-N 0 3 360.458 2.797 10 5 FFBEHN COc1cc(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000182095455 510755432 /nfs/dbraw/zinc/75/54/32/510755432.db2.gz MAHHAUSFRWTRMR-AWEZNQCLSA-N 0 3 357.410 2.854 10 5 FFBEHN Cc1nn(C)c(C)c1[C@H]1CCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000106207856 250254722 /nfs/dbraw/zinc/25/47/22/250254722.db2.gz TWAJPDPJDGMKTA-FUHWJXTLSA-N 0 3 374.441 2.522 10 5 FFBEHN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000107707871 250310304 /nfs/dbraw/zinc/31/03/04/250310304.db2.gz YQZAUXVCTLZLQN-HNNXBMFYSA-N 0 3 367.471 2.542 10 5 FFBEHN CCCN1CCCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000301407366 258047832 /nfs/dbraw/zinc/04/78/32/258047832.db2.gz VQXRFVJZRGVNSJ-UHFFFAOYSA-N 0 3 360.458 2.753 10 5 FFBEHN CN1CCC(Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000071564956 507706088 /nfs/dbraw/zinc/70/60/88/507706088.db2.gz XXIXOMVVWVQVLW-UHFFFAOYSA-N 0 3 356.382 2.715 10 5 FFBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCCC[C@H]1n1cccn1 ZINC000127869639 508513116 /nfs/dbraw/zinc/51/31/16/508513116.db2.gz AHBFIEGXGZDING-IAGOWNOFSA-N 0 3 357.414 2.812 10 5 FFBEHN O=C(CN1CCC(c2ccn[nH]2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000195506763 509200398 /nfs/dbraw/zinc/20/03/98/509200398.db2.gz WMYKYNRVORJAGB-UHFFFAOYSA-N 0 3 363.805 2.789 10 5 FFBEHN Cc1sc(C(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000190601946 510232358 /nfs/dbraw/zinc/23/23/58/510232358.db2.gz FDQOIHKBFAANNH-OAHLLOKOSA-N 0 3 374.466 2.954 10 5 FFBEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000190648897 510260077 /nfs/dbraw/zinc/26/00/77/510260077.db2.gz KGRXYQXIZITADM-MRXNPFEDSA-N 0 3 354.410 2.584 10 5 FFBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190653232 510262990 /nfs/dbraw/zinc/26/29/90/510262990.db2.gz SQJYHLQEJZTPTG-QGZVFWFLSA-N 0 3 368.437 2.892 10 5 FFBEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000190665067 510271425 /nfs/dbraw/zinc/27/14/25/510271425.db2.gz VWHPSLXGRDDNLA-OAHLLOKOSA-N 0 3 372.400 2.723 10 5 FFBEHN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000195273813 510751816 /nfs/dbraw/zinc/75/18/16/510751816.db2.gz ZBNVNOGFHONGEM-KRWDZBQOSA-N 0 3 370.453 2.952 10 5 FFBEHN CC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CCN1C[C@H](C)O ZINC000247779474 510870439 /nfs/dbraw/zinc/87/04/39/510870439.db2.gz RMIGUYJQHPRLAW-RDJZCZTQSA-N 0 3 365.474 2.659 10 5 FFBEHN C[C@@H]1CCCN(c2ccc(C(=O)N3CCN4CCC[C@@H]4C3)cc2[N+](=O)[O-])C1 ZINC000407952278 512974794 /nfs/dbraw/zinc/97/47/94/512974794.db2.gz GCDQICCCCCLTPC-NVXWUHKLSA-N 0 3 372.469 2.751 10 5 FFBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCCC[C@H]1n1cccn1 ZINC000128699117 508630370 /nfs/dbraw/zinc/63/03/70/508630370.db2.gz INQOIYDDZAOGDG-GOEBONIOSA-N 0 3 373.413 2.512 10 5 FFBEHN O=C(CN1CCC(c2ccn[nH]2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000195506742 509200735 /nfs/dbraw/zinc/20/07/35/509200735.db2.gz DIFGOVRAODRYJY-UHFFFAOYSA-N 0 3 363.805 2.789 10 5 FFBEHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cccc(Br)c1 ZINC000182570071 509309357 /nfs/dbraw/zinc/30/93/57/509309357.db2.gz GZTXWKBWOGVTHX-LLVKDONJSA-N 0 3 366.215 2.870 10 5 FFBEHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000182754445 509410928 /nfs/dbraw/zinc/41/09/28/509410928.db2.gz ROHMEAGGGGGCSH-INIZCTEOSA-N 0 3 357.458 2.906 10 5 FFBEHN Cc1cc(C(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)ccc1[N+](=O)[O-] ZINC000190639355 510255441 /nfs/dbraw/zinc/25/54/41/510255441.db2.gz SUIZKYLMXXMDKZ-QGZVFWFLSA-N 0 3 368.437 2.892 10 5 FFBEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181385089 510385678 /nfs/dbraw/zinc/38/56/78/510385678.db2.gz NBPQDZKSBJDRPA-ZDUSSCGKSA-N 0 3 371.393 2.574 10 5 FFBEHN COc1cccc([C@H]2C([N+](=O)[O-])[C@@H](c3ccccc3)N(C=O)[C@@H](O)[C@@H]2C)c1 ZINC000584653800 518418698 /nfs/dbraw/zinc/41/86/98/518418698.db2.gz GFRZFNSUYYQBKO-UQSIQIAASA-N 0 3 370.405 2.592 10 5 FFBEHN Cc1ccc(S(=O)(=O)N2CCCC[C@@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000107708511 250311913 /nfs/dbraw/zinc/31/19/13/250311913.db2.gz SCAWCSNKOWPTJT-OAHLLOKOSA-N 0 3 367.471 2.542 10 5 FFBEHN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@@H](N4CCOCC4)C3)o2)cc1 ZINC000120994050 509105121 /nfs/dbraw/zinc/10/51/21/509105121.db2.gz GTNYFDSZPFTMTH-QGZVFWFLSA-N 0 3 357.410 2.761 10 5 FFBEHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC(c4ccn[nH]4)CC3)o2)cc1 ZINC000195506572 509199207 /nfs/dbraw/zinc/19/92/07/509199207.db2.gz LTZLUTSZCBSVNF-UHFFFAOYSA-N 0 3 354.370 2.748 10 5 FFBEHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1cccnc1-n1cncn1)CCC2 ZINC000192672356 509592533 /nfs/dbraw/zinc/59/25/33/509592533.db2.gz DQTKUBVMMVWYNQ-QGZVFWFLSA-N 0 3 350.382 2.738 10 5 FFBEHN Cc1c(C(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000190598583 510231453 /nfs/dbraw/zinc/23/14/53/510231453.db2.gz KSYVYPKPNJPOFH-QGZVFWFLSA-N 0 3 368.437 2.892 10 5 FFBEHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000246254563 510391920 /nfs/dbraw/zinc/39/19/20/510391920.db2.gz JVBWWCKRJGBNPS-NVXWUHKLSA-N 0 3 367.409 2.551 10 5 FFBEHN Cc1c(Br)cc(C(=O)N2CCN3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000178800263 510779028 /nfs/dbraw/zinc/77/90/28/510779028.db2.gz KFHWRFAOHAOWFG-LBPRGKRZSA-N 0 3 368.231 2.586 10 5 FFBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(c2ccnn2C)CC1 ZINC000160516885 508998141 /nfs/dbraw/zinc/99/81/41/508998141.db2.gz JGKTXJSEQBIDEL-UHFFFAOYSA-N 0 3 371.441 2.845 10 5 FFBEHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@@H](N3CCOCC3)C2)o1 ZINC000121010081 509109135 /nfs/dbraw/zinc/10/91/35/509109135.db2.gz SEMDYRWDDLCPLO-OAHLLOKOSA-N 0 3 357.410 2.761 10 5 FFBEHN C[C@H]1CN(C2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)CCO1 ZINC000177947343 510342173 /nfs/dbraw/zinc/34/21/73/510342173.db2.gz DUTBLWOMEUBCTJ-ZDUSSCGKSA-N 0 3 353.850 2.933 10 5 FFBEHN CC(C)COc1ccc([C@@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000181408490 510395323 /nfs/dbraw/zinc/39/53/23/510395323.db2.gz XRTRIZUHFBDUQO-PBHICJAKSA-N 0 3 362.430 2.538 10 5 FFBEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000246573746 510562855 /nfs/dbraw/zinc/56/28/55/510562855.db2.gz NMFVUGCBYNVUAU-KBPBESRZSA-N 0 3 362.386 2.510 10 5 FFBEHN O=C(CCN1CC[C@H](Oc2cccnc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000181746193 510571468 /nfs/dbraw/zinc/57/14/68/510571468.db2.gz MLPZMWJUFJYZPP-HNNXBMFYSA-N 0 3 374.372 2.611 10 5 FFBEHN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCN2CCC[C@@H]2C1 ZINC000051385443 507768367 /nfs/dbraw/zinc/76/83/67/507768367.db2.gz CMDDMHPZAFAPSD-CQSZACIVSA-N 0 3 358.423 2.639 10 5 FFBEHN NC(=O)c1ccc(CN2CCC[C@H]2C[C@@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000072867066 507866697 /nfs/dbraw/zinc/86/66/97/507866697.db2.gz MSQDVLVZPKBRDU-PKOBYXMFSA-N 0 3 369.421 2.782 10 5 FFBEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000122663951 508569284 /nfs/dbraw/zinc/56/92/84/508569284.db2.gz XDEZFYCTRWKHFP-ZYHUDNBSSA-N 0 3 368.231 2.666 10 5 FFBEHN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CCCN2CC)cc1OC ZINC000177037984 509831292 /nfs/dbraw/zinc/83/12/92/509831292.db2.gz JGAGOULLUMJCFJ-CYBMUJFWSA-N 0 3 365.430 2.558 10 5 FFBEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000245531774 509988105 /nfs/dbraw/zinc/98/81/05/509988105.db2.gz UCHRXVRMDRMXMB-GXFFZTMASA-N 0 3 357.357 2.655 10 5 FFBEHN O=[N+]([O-])c1ccc(CNC2CCN(Cc3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000194225513 510269923 /nfs/dbraw/zinc/26/99/23/510269923.db2.gz NXFKRSHZTBHANT-UHFFFAOYSA-N 0 3 371.397 2.652 10 5 FFBEHN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCN2CCC[C@@H]2C1 ZINC000171939064 729016202 /nfs/dbraw/zinc/01/62/02/729016202.db2.gz NRTOUCJNKRPOSS-SNVBAGLBSA-N 0 3 360.292 2.806 10 5 FFBEHN CCn1cnnc1[C@H]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000103475526 250152863 /nfs/dbraw/zinc/15/28/63/250152863.db2.gz PZOJFKGBRGRZPX-HNNXBMFYSA-N 0 3 359.430 2.855 10 5 FFBEHN C[C@@H](CN(C)Cc1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000302026044 258083062 /nfs/dbraw/zinc/08/30/62/258083062.db2.gz QESNTFOPOKRJRF-ZDUSSCGKSA-N 0 3 370.409 2.858 10 5 FFBEHN CCCCN1CCC(NS(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)CC1 ZINC000133845475 508458123 /nfs/dbraw/zinc/45/81/23/508458123.db2.gz BUMIISZJZZPLJP-UHFFFAOYSA-N 0 3 373.450 2.585 10 5 FFBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCCC[C@H]1n1cccn1 ZINC000128698875 508630428 /nfs/dbraw/zinc/63/04/28/508630428.db2.gz INQOIYDDZAOGDG-GDBMZVCRSA-N 0 3 373.413 2.512 10 5 FFBEHN COc1ccc([C@@H]2C[C@@H](C)N(CCn3cc([N+](=O)[O-])ccc3=O)C2)cc1 ZINC000159839490 508899312 /nfs/dbraw/zinc/89/93/12/508899312.db2.gz NJNXWUOZGHQIGP-GDBMZVCRSA-N 0 3 357.410 2.643 10 5 FFBEHN CC(C)CN1CCC[C@@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000160604053 509009123 /nfs/dbraw/zinc/00/91/23/509009123.db2.gz JUXMEJDVBAPMJP-OAHLLOKOSA-N 0 3 351.472 2.924 10 5 FFBEHN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cc1SC ZINC000155767857 509068435 /nfs/dbraw/zinc/06/84/35/509068435.db2.gz VLTYZZLLVCIEMG-AAEUAGOBSA-N 0 3 367.471 2.784 10 5 FFBEHN COc1ccc(NC(=O)[C@@H](C)N2CCC(c3ccn[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000195505649 509200590 /nfs/dbraw/zinc/20/05/90/509200590.db2.gz OIRPRZGPDYPPLW-GFCCVEGCSA-N 0 3 373.413 2.533 10 5 FFBEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000182663972 509357684 /nfs/dbraw/zinc/35/76/84/509357684.db2.gz GCMUUCPASOUYKJ-WDEREUQCSA-N 0 3 368.231 2.666 10 5 FFBEHN CN1CCN([C@@H]2CCCCN(Cc3cc([N+](=O)[O-])ccc3Cl)C2)CC1 ZINC000182905891 509487362 /nfs/dbraw/zinc/48/73/62/509487362.db2.gz HXIIWZRBMGAZSZ-QGZVFWFLSA-N 0 3 366.893 2.850 10 5 FFBEHN CCO[C@@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2OC)C12CCOCC2 ZINC000186319784 509644959 /nfs/dbraw/zinc/64/49/59/509644959.db2.gz FSDIFAYIMUJUMS-DLBZAZTESA-N 0 3 350.415 2.667 10 5 FFBEHN COc1cc(CN2CCN3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180123760 509763752 /nfs/dbraw/zinc/76/37/52/509763752.db2.gz OITZVJLBLYSAIN-CYBMUJFWSA-N 0 3 371.384 2.527 10 5 FFBEHN CC1CCN(c2ccc(C(=O)N3CC[C@H](N(C)C)C3)cc2[N+](=O)[O-])CC1 ZINC000170863047 509818324 /nfs/dbraw/zinc/81/83/24/509818324.db2.gz FBEBYAHGAFAMFE-INIZCTEOSA-N 0 3 360.458 2.607 10 5 FFBEHN Cc1nc(C[C@H]2CCCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000171408943 510142500 /nfs/dbraw/zinc/14/25/00/510142500.db2.gz ZJBSXEMDYXTZLE-CQSZACIVSA-N 0 3 373.413 2.570 10 5 FFBEHN O=C1CC[C@H]2CN(CCCOc3ccc([N+](=O)[O-])cc3)CC[C@H]2N1C1CC1 ZINC000245917609 510205125 /nfs/dbraw/zinc/20/51/25/510205125.db2.gz WHYJJVFLQQQGLA-HNAYVOBHSA-N 0 3 373.453 2.839 10 5 FFBEHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCCN(C2CC2)CC1 ZINC000172346431 510682564 /nfs/dbraw/zinc/68/25/64/510682564.db2.gz WRFCADPLSZHNBB-GFCCVEGCSA-N 0 3 366.849 2.745 10 5 FFBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCCC[C@@H]1n1cccn1 ZINC000127869390 508513009 /nfs/dbraw/zinc/51/30/09/508513009.db2.gz AHBFIEGXGZDING-IRXDYDNUSA-N 0 3 357.414 2.812 10 5 FFBEHN CCn1cnnc1C1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000155427366 508998657 /nfs/dbraw/zinc/99/86/57/508998657.db2.gz WNWKDMNGKGZNGW-UHFFFAOYSA-N 0 3 359.430 2.855 10 5 FFBEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000155744765 509063361 /nfs/dbraw/zinc/06/33/61/509063361.db2.gz BNTJILYJKXMJEL-WBVHZDCISA-N 0 3 374.485 2.656 10 5 FFBEHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000182754428 509411145 /nfs/dbraw/zinc/41/11/45/509411145.db2.gz ROHMEAGGGGGCSH-MRXNPFEDSA-N 0 3 357.458 2.906 10 5 FFBEHN Cc1nccn1C[C@@H]1CCCN1[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000245957164 510227138 /nfs/dbraw/zinc/22/71/38/510227138.db2.gz QYNATXINNUKYHK-HOCLYGCPSA-N 0 3 371.441 2.900 10 5 FFBEHN C[C@H]1CN(C2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)CCO1 ZINC000172021255 510502597 /nfs/dbraw/zinc/50/25/97/510502597.db2.gz WSDRTRKPLYJPME-ZDUSSCGKSA-N 0 3 353.850 2.933 10 5 FFBEHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000107708265 250310781 /nfs/dbraw/zinc/31/07/81/250310781.db2.gz CAGNKORSXHCAPG-HNNXBMFYSA-N 0 3 367.471 2.542 10 5 FFBEHN Cc1cccc(NC[C@H]2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000137021231 508732817 /nfs/dbraw/zinc/73/28/17/508732817.db2.gz UZMIVVVMHDASLZ-QAPCUYQASA-N 0 3 356.426 2.766 10 5 FFBEHN O=c1cc(CN2CC[C@@H](N3CCOCC3)C2)c2c(ccc3ccccc32)o1 ZINC000173983248 509889082 /nfs/dbraw/zinc/88/90/82/509889082.db2.gz JPXHVUJIDDXWPI-GOSISDBHSA-N 0 3 364.445 2.853 10 5 FFBEHN CCOc1ccc([C@H](C)N[C@@H]2CCc3nc(CC)nn3C2)cc1[N+](=O)[O-] ZINC000180618458 510016460 /nfs/dbraw/zinc/01/64/60/510016460.db2.gz HXGBBIWBTYAHRA-GXTWGEPZSA-N 0 3 359.430 2.813 10 5 FFBEHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000245733722 510113566 /nfs/dbraw/zinc/11/35/66/510113566.db2.gz KBNAVHRAMPMIFJ-GDBMZVCRSA-N 0 3 357.414 2.503 10 5 FFBEHN Cc1cc(C(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)ccc1[N+](=O)[O-] ZINC000190639377 510255772 /nfs/dbraw/zinc/25/57/72/510255772.db2.gz SUIZKYLMXXMDKZ-KRWDZBQOSA-N 0 3 368.437 2.892 10 5 FFBEHN CNc1cc(N2CCC[C@H]2CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)ncn1 ZINC000178222381 510494938 /nfs/dbraw/zinc/49/49/38/510494938.db2.gz TYEQHUFZHDWWNZ-BBRMVZONSA-N 0 3 356.430 2.746 10 5 FFBEHN Cc1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)N3C(C)C)c([N+](=O)[O-])c1 ZINC000408253778 513032628 /nfs/dbraw/zinc/03/26/28/513032628.db2.gz AYPFTGBTKIJFRJ-CABCVRRESA-N 0 3 367.471 2.539 10 5 FFBEHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000192600571 251293271 /nfs/dbraw/zinc/29/32/71/251293271.db2.gz VBHZAWFBRVKDQU-QGZVFWFLSA-N 0 3 368.437 2.892 10 5 FFBEHN CC(C)(C)N1CCC(Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CC1 ZINC000123931966 508759337 /nfs/dbraw/zinc/75/93/37/508759337.db2.gz UKJCMBGKBLRYJC-UHFFFAOYSA-N 0 3 355.460 2.673 10 5 FFBEHN O=[N+]([O-])c1cnn(CCN[C@H]2CCc3c2cccc3Br)c1 ZINC000152005484 509127904 /nfs/dbraw/zinc/12/79/04/509127904.db2.gz WUNVVRBJXACWKE-AWEZNQCLSA-N 0 3 351.204 2.831 10 5 FFBEHN C[C@@H](CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000180043144 509723158 /nfs/dbraw/zinc/72/31/58/509723158.db2.gz CCHLVXOBTJPPFA-OXJNMPFZSA-N 0 3 355.438 2.995 10 5 FFBEHN O=C(CCN1CCC(c2cc[nH]n2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000181670653 510530834 /nfs/dbraw/zinc/53/08/34/510530834.db2.gz CMFHWQAQVHXPSE-UHFFFAOYSA-N 0 3 361.377 2.665 10 5 FFBEHN Cc1c(Br)cc(C(=O)N2CCN3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000178800247 510779376 /nfs/dbraw/zinc/77/93/76/510779376.db2.gz KFHWRFAOHAOWFG-GFCCVEGCSA-N 0 3 368.231 2.586 10 5 FFBEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000247524627 510864200 /nfs/dbraw/zinc/86/42/00/510864200.db2.gz WZIGIVRRLXMKCP-ZBFHGGJFSA-N 0 3 358.442 2.504 10 5 FFBEHN CS(=O)(=O)c1cc(N[C@H]2CCN(CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301805042 258068434 /nfs/dbraw/zinc/06/84/34/258068434.db2.gz VGZLIPZDHSVUAR-HNNXBMFYSA-N 0 3 367.471 2.675 10 5 FFBEHN CN(C)C[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000055051656 506667117 /nfs/dbraw/zinc/66/71/17/506667117.db2.gz LKTOZAKXPPISFG-INIZCTEOSA-N 0 3 357.410 2.783 10 5 FFBEHN O=C1CC[C@@H]2CN(CCCOc3ccc([N+](=O)[O-])cc3)CC[C@H]2N1C1CC1 ZINC000120154916 508939875 /nfs/dbraw/zinc/93/98/75/508939875.db2.gz WHYJJVFLQQQGLA-DNVCBOLYSA-N 0 3 373.453 2.839 10 5 FFBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC(c2ccn[nH]2)CC1 ZINC000195506775 509200651 /nfs/dbraw/zinc/20/06/51/509200651.db2.gz ZGWIAFRPNFCQNO-GFCCVEGCSA-N 0 3 373.413 2.533 10 5 FFBEHN Cc1nn(C)c(C)c1[C@@H]1CCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248374468 509280090 /nfs/dbraw/zinc/28/00/90/509280090.db2.gz QRLRCYVCUSMNHM-WBVHZDCISA-N 0 3 374.441 2.522 10 5 FFBEHN COc1ccc(NC(=O)CCN2CCC[C@@H]2c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000173315190 509527221 /nfs/dbraw/zinc/52/72/21/509527221.db2.gz JCYIWZFNUISHHL-MRXNPFEDSA-N 0 3 373.413 2.503 10 5 FFBEHN COc1cc(CN2CCC[C@H]2Cn2ccnc2C)c([N+](=O)[O-])cc1OC ZINC000180126660 509766505 /nfs/dbraw/zinc/76/65/05/509766505.db2.gz BRMFNYRVMJSKHS-HNNXBMFYSA-N 0 3 360.414 2.782 10 5 FFBEHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCN(C2CC2)CC1 ZINC000172346258 510682020 /nfs/dbraw/zinc/68/20/20/510682020.db2.gz XSGNQUKPNQIRFP-ZDUSSCGKSA-N 0 3 357.414 2.876 10 5 FFBEHN O=C(CCN1CCC(Cn2cccn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000106186061 250250690 /nfs/dbraw/zinc/25/06/90/250250690.db2.gz JEYHZXSWKIWFAS-UHFFFAOYSA-N 0 3 357.414 2.532 10 5 FFBEHN CNc1cc(N2CCC[C@@H]2CN[C@@H](C)c2cccc([N+](=O)[O-])c2)ncn1 ZINC000107303855 507842655 /nfs/dbraw/zinc/84/26/55/507842655.db2.gz MHPFEGSOQKNADE-XJKSGUPXSA-N 0 3 356.430 2.746 10 5 FFBEHN CN1CCN([C@H]2CCCCN(Cc3cc([N+](=O)[O-])ccc3Cl)C2)CC1 ZINC000182905910 509487538 /nfs/dbraw/zinc/48/75/38/509487538.db2.gz HXIIWZRBMGAZSZ-KRWDZBQOSA-N 0 3 366.893 2.850 10 5 FFBEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000267464848 509498492 /nfs/dbraw/zinc/49/84/92/509498492.db2.gz LLXHEHSDRLSFPF-PWSUYJOCSA-N 0 3 368.231 2.666 10 5 FFBEHN COc1cc(CN[C@H](C)[C@@H]2CCCO2)c([N+](=O)[O-])cc1OCC(F)F ZINC000183188202 509646898 /nfs/dbraw/zinc/64/68/98/509646898.db2.gz OTLCJKUXECMFFK-MFKMUULPSA-N 0 3 360.357 2.904 10 5 FFBEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000177026668 509826499 /nfs/dbraw/zinc/82/64/99/509826499.db2.gz UTPSJYBOHXDCBF-MRXNPFEDSA-N 0 3 360.458 2.751 10 5 FFBEHN Cc1ncsc1CN(C)C[C@H]1CCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000193519157 509948029 /nfs/dbraw/zinc/94/80/29/509948029.db2.gz RLLWEVVYDJVPLW-CYBMUJFWSA-N 0 3 361.471 2.900 10 5 FFBEHN CC(C)(C)OC[C@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174248013 510023171 /nfs/dbraw/zinc/02/31/71/510023171.db2.gz AWJNLJDGKIYUEC-OAHLLOKOSA-N 0 3 352.431 2.614 10 5 FFBEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000190626022 510247736 /nfs/dbraw/zinc/24/77/36/510247736.db2.gz ZMOFHLVMWMAAMX-INIZCTEOSA-N 0 3 354.410 2.584 10 5 FFBEHN Cn1cc(CN[C@H]2Cc3ccccc3[C@@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000172068135 510525872 /nfs/dbraw/zinc/52/58/72/510525872.db2.gz YQROFCYSOMLZCR-ICSRJNTNSA-N 0 3 364.405 2.743 10 5 FFBEHN Cn1cc([C@H]2CCCN2CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cn1 ZINC000181682927 510537198 /nfs/dbraw/zinc/53/71/98/510537198.db2.gz FNQWRLJNCBVPKZ-MRXNPFEDSA-N 0 3 361.377 2.633 10 5 FFBEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000246576149 510564717 /nfs/dbraw/zinc/56/47/17/510564717.db2.gz NMFVUGCBYNVUAU-KGLIPLIRSA-N 0 3 362.386 2.510 10 5 FFBEHN C[C@@H](NCCOc1cccc([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000182189489 510803929 /nfs/dbraw/zinc/80/39/29/510803929.db2.gz DWSLHMQXEYVMKO-CYBMUJFWSA-N 0 3 364.423 2.728 10 5 FFBEHN Cc1nn(C)c(C)c1[C@H]1CCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247807843 510870951 /nfs/dbraw/zinc/87/09/51/510870951.db2.gz TWAJPDPJDGMKTA-SJLPKXTDSA-N 0 3 374.441 2.522 10 5 FFBEHN CC[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCN1C[C@@H](C)O ZINC000153539483 251150435 /nfs/dbraw/zinc/15/04/35/251150435.db2.gz TXQAHJAGLGIUHZ-RHSMWYFYSA-N 0 3 374.441 2.527 10 5 FFBEHN C[C@H]1CN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CCN1 ZINC000052783501 506249163 /nfs/dbraw/zinc/24/91/63/506249163.db2.gz SFLMANDUAZEQSE-VIFPVBQESA-N 0 3 351.204 2.704 10 5 FFBEHN Cc1c(NC(=O)CCN2CC[C@H](Oc3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000152450957 508448950 /nfs/dbraw/zinc/44/89/50/508448950.db2.gz IAQGSDAZAMYLPC-INIZCTEOSA-N 0 3 370.409 2.780 10 5 FFBEHN O=C(Nc1ccccc1)[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000136896552 508722866 /nfs/dbraw/zinc/72/28/66/508722866.db2.gz PIOAISFIRDQQTC-APWZRJJASA-N 0 3 369.421 2.979 10 5 FFBEHN Cc1nccn1C[C@H]1CCCN1[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000154575210 508812770 /nfs/dbraw/zinc/81/27/70/508812770.db2.gz AQEZSAOLUPZNHS-SUMWQHHRSA-N 0 3 357.414 2.591 10 5 FFBEHN CN1CCN([C@H]2CCCCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000182901635 509485718 /nfs/dbraw/zinc/48/57/18/509485718.db2.gz RTKQCVSTENBBFJ-KRWDZBQOSA-N 0 3 366.893 2.850 10 5 FFBEHN COc1ccc(NC(=O)CCN2CCC[C@H]2c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000173315180 509526092 /nfs/dbraw/zinc/52/60/92/509526092.db2.gz JCYIWZFNUISHHL-INIZCTEOSA-N 0 3 373.413 2.503 10 5 FFBEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000245675153 510075546 /nfs/dbraw/zinc/07/55/46/510075546.db2.gz GOVLNBXEPRZTGZ-GWCFXTLKSA-N 0 3 368.231 2.666 10 5 FFBEHN CN(Cc1cccnc1)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000190448540 510137941 /nfs/dbraw/zinc/13/79/41/510137941.db2.gz YNCZTUKXHSGTNF-CQSZACIVSA-N 0 3 361.833 2.997 10 5 FFBEHN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000190544655 510195976 /nfs/dbraw/zinc/19/59/76/510195976.db2.gz OLRNPFLYSXMQGP-CQSZACIVSA-N 0 3 374.466 2.954 10 5 FFBEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000190591119 510227946 /nfs/dbraw/zinc/22/79/46/510227946.db2.gz NFQWDWJTHGLCGY-GOSISDBHSA-N 0 3 368.437 2.513 10 5 FFBEHN Cc1c(C(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000190598602 510230505 /nfs/dbraw/zinc/23/05/05/510230505.db2.gz KSYVYPKPNJPOFH-KRWDZBQOSA-N 0 3 368.437 2.892 10 5 FFBEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000190640690 510255125 /nfs/dbraw/zinc/25/51/25/510255125.db2.gz IPUJIZLNYDDSCC-AWEZNQCLSA-N 0 3 360.439 2.645 10 5 FFBEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181898578 510649984 /nfs/dbraw/zinc/64/99/84/510649984.db2.gz JSLBDQDGJZBYQD-ZYHUDNBSSA-N 0 3 355.341 2.505 10 5 FFBEHN CN(Cc1cccnc1)C[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000195272104 510751083 /nfs/dbraw/zinc/75/10/83/510751083.db2.gz VILCDCVLGPSPMJ-GOSISDBHSA-N 0 3 370.453 2.823 10 5 FFBEHN COc1cc([N+](=O)[O-])c(C(=O)NCCN2CCCC[C@H]2C)cc1SC ZINC000103069993 250133547 /nfs/dbraw/zinc/13/35/47/250133547.db2.gz JGBMWMIARWYCIV-GFCCVEGCSA-N 0 3 367.471 2.930 10 5 FFBEHN Cc1cc(N2CCC[C@@H]2CN2CCC[C@@H]2CO)c(Cl)cc1[N+](=O)[O-] ZINC000301700747 258063364 /nfs/dbraw/zinc/06/33/64/258063364.db2.gz DIBUABBVSUCIMA-ZIAGYGMSSA-N 0 3 353.850 2.982 10 5 FFBEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000113228139 508252349 /nfs/dbraw/zinc/25/23/49/508252349.db2.gz WZIGIVRRLXMKCP-GOEBONIOSA-N 0 3 358.442 2.504 10 5 FFBEHN O=[N+]([O-])c1ccc(CN2CCN(C3CCOCC3)CC2)c(C(F)(F)F)c1 ZINC000154245774 508744792 /nfs/dbraw/zinc/74/47/92/508744792.db2.gz BJDZYCLBCYMUBI-UHFFFAOYSA-N 0 3 373.375 2.910 10 5 FFBEHN CCO[C@@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2OC)C12CCOCC2 ZINC000186319825 509644776 /nfs/dbraw/zinc/64/47/76/509644776.db2.gz FSDIFAYIMUJUMS-IAGOWNOFSA-N 0 3 350.415 2.667 10 5 FFBEHN CCO[C@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2OC)C12CCOCC2 ZINC000186319846 509645557 /nfs/dbraw/zinc/64/55/57/509645557.db2.gz FSDIFAYIMUJUMS-SJORKVTESA-N 0 3 350.415 2.667 10 5 FFBEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000177024162 509823984 /nfs/dbraw/zinc/82/39/84/509823984.db2.gz SIMQNOSYHDHOML-GFCCVEGCSA-N 0 3 370.247 2.914 10 5 FFBEHN CN(Cc1cccnc1)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000190448518 510137971 /nfs/dbraw/zinc/13/79/71/510137971.db2.gz YNCZTUKXHSGTNF-AWEZNQCLSA-N 0 3 361.833 2.997 10 5 FFBEHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190578933 510219325 /nfs/dbraw/zinc/21/93/25/510219325.db2.gz YAXVRNMOYWSGHK-QGZVFWFLSA-N 0 3 368.437 2.892 10 5 FFBEHN O=[N+]([O-])c1ccc(CNC2CCN(Cc3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000194232365 510272747 /nfs/dbraw/zinc/27/27/47/510272747.db2.gz PEJLRQFIWIZWOT-UHFFFAOYSA-N 0 3 371.397 2.652 10 5 FFBEHN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCN2CCC[C@@H]2C1 ZINC000184614355 510418704 /nfs/dbraw/zinc/41/87/04/510418704.db2.gz DPGSUCKTQWIKLE-LLVKDONJSA-N 0 3 358.320 2.926 10 5 FFBEHN CCO[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C12CCOCC2 ZINC000194712562 510490688 /nfs/dbraw/zinc/49/06/88/510490688.db2.gz LVGUAEUGICGCOU-JKSUJKDBSA-N 0 3 365.386 2.567 10 5 FFBEHN C[C@@H]1CN(C2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)CCO1 ZINC000182080365 510746061 /nfs/dbraw/zinc/74/60/61/510746061.db2.gz DAXVQULHKUSAGT-CYBMUJFWSA-N 0 3 353.850 2.933 10 5 FFBEHN CN(Cc1cccnc1)C[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000195272094 510750408 /nfs/dbraw/zinc/75/04/08/510750408.db2.gz VILCDCVLGPSPMJ-SFHVURJKSA-N 0 3 370.453 2.823 10 5 FFBEHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)CN(C)Cc2ccccc2)n1 ZINC000311403537 511775965 /nfs/dbraw/zinc/77/59/65/511775965.db2.gz UUMOGISDZSKRCW-ZDUSSCGKSA-N 0 3 358.398 2.709 10 5 FFBEHN CNc1c(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000311379126 511776580 /nfs/dbraw/zinc/77/65/80/511776580.db2.gz APDKPRZGCGACMB-AWEZNQCLSA-N 0 3 356.426 2.887 10 5 FFBEHN C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C(N)=O)CCN1Cc1ccccc1 ZINC000078689643 507897703 /nfs/dbraw/zinc/89/77/03/507897703.db2.gz QGKWQUNDBIVYOO-OAHLLOKOSA-N 0 3 368.437 2.795 10 5 FFBEHN CN(C(=O)CN[C@@H]1CCCC[C@@H]1n1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000128970926 508665711 /nfs/dbraw/zinc/66/57/11/508665711.db2.gz VOJGXXYLBFAEKZ-SJORKVTESA-N 0 3 357.414 2.528 10 5 FFBEHN Cc1c(NC(=O)CCN2CCC(c3cc[nH]n3)CC2)cccc1[N+](=O)[O-] ZINC000160534143 508999460 /nfs/dbraw/zinc/99/94/60/508999460.db2.gz UWBLXWYGEDLMLJ-UHFFFAOYSA-N 0 3 357.414 2.835 10 5 FFBEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000248409514 509302778 /nfs/dbraw/zinc/30/27/78/509302778.db2.gz GCMUUCPASOUYKJ-MNOVXSKESA-N 0 3 368.231 2.666 10 5 FFBEHN C[C@@H](NC[C@H](O)CN1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000173315864 509527419 /nfs/dbraw/zinc/52/74/19/509527419.db2.gz ONUBAVLLWQOWCN-QRWLVFNGSA-N 0 3 355.438 2.665 10 5 FFBEHN C[C@@H]1CN(C2CCN(CCCOc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000193429080 509911973 /nfs/dbraw/zinc/91/19/73/509911973.db2.gz LQTMPWOYGSJBGD-MRXNPFEDSA-N 0 3 363.458 2.549 10 5 FFBEHN O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)NCc2ccc(OCC3CC3)cc2)cc1 ZINC000191081478 510494540 /nfs/dbraw/zinc/49/45/40/510494540.db2.gz ODXBJTZUMXTNSD-UXHICEINSA-N 0 3 372.421 2.568 10 5 FFBEHN Cc1nccn1C[C@H]1CCCN1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000178752960 510753868 /nfs/dbraw/zinc/75/38/68/510753868.db2.gz ZNCFNDCYBXZYJQ-MRXNPFEDSA-N 0 3 357.414 2.511 10 5 FFBEHN Cc1c(NC(=O)[C@H](C)N2CCC(c3ccn[nH]3)CC2)cccc1[N+](=O)[O-] ZINC000195505147 509196961 /nfs/dbraw/zinc/19/69/61/509196961.db2.gz YAISONATNUPJJB-ZDUSSCGKSA-N 0 3 357.414 2.833 10 5 FFBEHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000245733727 510112746 /nfs/dbraw/zinc/11/27/46/510112746.db2.gz KBNAVHRAMPMIFJ-ZBFHGGJFSA-N 0 3 357.414 2.503 10 5 FFBEHN CC(C)N1C[C@H](NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000246742201 510647507 /nfs/dbraw/zinc/64/75/07/510647507.db2.gz BALLVAGIJWENRH-XEZPLFJOSA-N 0 3 351.472 2.920 10 5 FFBEHN C[C@H]1N([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCC12CCOCC2 ZINC000371814516 512586254 /nfs/dbraw/zinc/58/62/54/512586254.db2.gz FBQNREOLPRPMAL-PBHICJAKSA-N 0 3 359.426 2.591 10 5 FFBEHN CN(C(=O)CN[C@@H]1CCCC[C@H]1n1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000128971361 508665393 /nfs/dbraw/zinc/66/53/93/508665393.db2.gz VOJGXXYLBFAEKZ-IAGOWNOFSA-N 0 3 357.414 2.528 10 5 FFBEHN C[C@H]1C[C@H](C)CN(CCCNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000123756123 508734222 /nfs/dbraw/zinc/73/42/22/508734222.db2.gz JTCZVDVFXQTFGX-KBPBESRZSA-N 0 3 369.487 2.778 10 5 FFBEHN Cc1nccn1C[C@H]1CCCN1[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000154563198 508810491 /nfs/dbraw/zinc/81/04/91/508810491.db2.gz BMBIOUILIJNURK-DZGCQCFKSA-N 0 3 357.414 2.591 10 5 FFBEHN CCO[C@H]1C[C@@H](NCc2ccc(OC)c([N+](=O)[O-])c2)C12CCOCC2 ZINC000186292140 509628799 /nfs/dbraw/zinc/62/87/99/509628799.db2.gz BRIRSYQVBHPAFZ-SJORKVTESA-N 0 3 350.415 2.667 10 5 FFBEHN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000190559647 510206293 /nfs/dbraw/zinc/20/62/93/510206293.db2.gz SLZXVZUAGRVJAI-CQSZACIVSA-N 0 3 374.466 2.954 10 5 FFBEHN Cc1cc(C(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)cc([N+](=O)[O-])c1 ZINC000190589168 510226143 /nfs/dbraw/zinc/22/61/43/510226143.db2.gz DGOSQDJHUKXGQK-KRWDZBQOSA-N 0 3 368.437 2.892 10 5 FFBEHN Cn1ccnc1CC1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000106166681 250246839 /nfs/dbraw/zinc/24/68/39/250246839.db2.gz BFNYZOMKSSJFBH-UHFFFAOYSA-N 0 3 371.441 2.612 10 5 FFBEHN CN(C)C[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000055051657 506668027 /nfs/dbraw/zinc/66/80/27/506668027.db2.gz LKTOZAKXPPISFG-MRXNPFEDSA-N 0 3 357.410 2.783 10 5 FFBEHN COc1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)cc1SC ZINC000113226922 508251930 /nfs/dbraw/zinc/25/19/30/508251930.db2.gz BWHQMLHRIRXADC-NWDGAFQWSA-N 0 3 365.455 2.634 10 5 FFBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(c2cc[nH]n2)CC1 ZINC000160533722 508999406 /nfs/dbraw/zinc/99/94/06/508999406.db2.gz KVJHWYCMCQUBLH-UHFFFAOYSA-N 0 3 357.414 2.835 10 5 FFBEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000121382217 509170841 /nfs/dbraw/zinc/17/08/41/509170841.db2.gz GOVLNBXEPRZTGZ-GXFFZTMASA-N 0 3 368.231 2.666 10 5 FFBEHN COc1ccc(OCCN2CC[C@H](CNc3ccccn3)C2)c([N+](=O)[O-])c1 ZINC000173779570 509772240 /nfs/dbraw/zinc/77/22/40/509772240.db2.gz XHVPUSRASYIQBG-OAHLLOKOSA-N 0 3 372.425 2.811 10 5 FFBEHN CCN1CCC[C@H]1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000177026684 509825531 /nfs/dbraw/zinc/82/55/31/509825531.db2.gz UTPSJYBOHXDCBF-INIZCTEOSA-N 0 3 360.458 2.751 10 5 FFBEHN CCn1cnnc1[C@@H]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000103475524 250152892 /nfs/dbraw/zinc/15/28/92/250152892.db2.gz PZOJFKGBRGRZPX-OAHLLOKOSA-N 0 3 359.430 2.855 10 5 FFBEHN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCCC[C@H](N2CCCC2)C1 ZINC000107524767 507855803 /nfs/dbraw/zinc/85/58/03/507855803.db2.gz XSSWDLGJUVJZPD-AWEZNQCLSA-N 0 3 362.386 2.594 10 5 FFBEHN NC(=O)c1ccc(CN2CCC[C@H]2C[C@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000072867067 507866821 /nfs/dbraw/zinc/86/68/21/507866821.db2.gz MSQDVLVZPKBRDU-HKUYNNGSSA-N 0 3 369.421 2.782 10 5 FFBEHN C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(N)=O)CCN1Cc1ccccc1 ZINC000078689646 507897800 /nfs/dbraw/zinc/89/78/00/507897800.db2.gz QGKWQUNDBIVYOO-HNNXBMFYSA-N 0 3 368.437 2.795 10 5 FFBEHN C[C@@H]1CCC[C@](CNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)(N(C)C)C1 ZINC000123986270 508767308 /nfs/dbraw/zinc/76/73/08/508767308.db2.gz FRAJAAIKZXARJH-DYVFJYSZSA-N 0 3 369.487 2.921 10 5 FFBEHN COc1ccc([C@H]2C[C@H](C)N(CCn3cc([N+](=O)[O-])ccc3=O)C2)cc1 ZINC000159839350 508899598 /nfs/dbraw/zinc/89/95/98/508899598.db2.gz NJNXWUOZGHQIGP-HOCLYGCPSA-N 0 3 357.410 2.643 10 5 FFBEHN CN1CCN([C@@H]2CCCCN(c3ccc4ncccc4c3[N+](=O)[O-])C2)CC1 ZINC000127084814 509165499 /nfs/dbraw/zinc/16/54/99/509165499.db2.gz FBSGWUGOXHZSBG-MRXNPFEDSA-N 0 3 369.469 2.749 10 5 FFBEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000267464846 509498143 /nfs/dbraw/zinc/49/81/43/509498143.db2.gz LLXHEHSDRLSFPF-CMPLNLGQSA-N 0 3 368.231 2.666 10 5 FFBEHN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@@H](N(C)C)C2)CC1 ZINC000170858999 509816145 /nfs/dbraw/zinc/81/61/45/509816145.db2.gz ULGVQEJRCAEDRM-MRXNPFEDSA-N 0 3 360.458 2.607 10 5 FFBEHN CCN1CCC[C@H]1CN(C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000245459597 509947865 /nfs/dbraw/zinc/94/78/65/509947865.db2.gz DOTKZSOIKSIEQV-OCCSQVGLSA-N 0 3 368.865 2.991 10 5 FFBEHN CCOc1cccc(NC[C@H](O)CN2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000184051070 510105117 /nfs/dbraw/zinc/10/51/17/510105117.db2.gz QCTKHDPAZRQRQR-KRWDZBQOSA-N 0 3 371.437 2.825 10 5 FFBEHN O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)NCc2ccc(OCC3CC3)cc2)cc1 ZINC000191081460 510494993 /nfs/dbraw/zinc/49/49/93/510494993.db2.gz ODXBJTZUMXTNSD-PMACEKPBSA-N 0 3 372.421 2.568 10 5 FFBEHN CC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CCN1C[C@@H](C)O ZINC000106101528 508392966 /nfs/dbraw/zinc/39/29/66/508392966.db2.gz RMIGUYJQHPRLAW-WBVHZDCISA-N 0 3 365.474 2.659 10 5 FFBEHN CCN1CCC[C@@H]1CN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000177696711 510204750 /nfs/dbraw/zinc/20/47/50/510204750.db2.gz DOTKZSOIKSIEQV-GXTWGEPZSA-N 0 3 368.865 2.991 10 5 FFBEHN CCN1CCC[C@@H]1CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000177707642 510208747 /nfs/dbraw/zinc/20/87/47/510208747.db2.gz YMBHLINLQUNECP-CYBMUJFWSA-N 0 3 354.838 2.603 10 5 FFBEHN Cc1nccn1C[C@H]1CCCN1[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000245952520 510225699 /nfs/dbraw/zinc/22/56/99/510225699.db2.gz PREGGWWJPPEVLB-CXAGYDPISA-N 0 3 357.414 2.591 10 5 FFBEHN Cc1cccc(NC[C@@H]2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000246342720 510437357 /nfs/dbraw/zinc/43/73/57/510437357.db2.gz UZMIVVVMHDASLZ-MAUKXSAKSA-N 0 3 356.426 2.766 10 5 FFBEHN COc1ccc(NC(=O)CN[C@H]2CCCC[C@H]2n2cccn2)c([N+](=O)[O-])c1 ZINC000128414095 508589619 /nfs/dbraw/zinc/58/96/19/508589619.db2.gz YHWSUQMXOOYVQE-GOEBONIOSA-N 0 3 373.413 2.512 10 5 FFBEHN O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@H](N4CCOCC4)C3)o2)c1 ZINC000121032512 509114009 /nfs/dbraw/zinc/11/40/09/509114009.db2.gz TZEQQNDBXSCVLS-KRWDZBQOSA-N 0 3 357.410 2.761 10 5 FFBEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000182663955 509356911 /nfs/dbraw/zinc/35/69/11/509356911.db2.gz GCMUUCPASOUYKJ-GHMZBOCLSA-N 0 3 368.231 2.666 10 5 FFBEHN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246337185 510433082 /nfs/dbraw/zinc/43/30/82/510433082.db2.gz UBUDSOHOMVXJDQ-IFXJQAMLSA-N 0 3 367.409 2.902 10 5 FFBEHN Cn1cc(CN[C@H]2Cc3ccccc3[C@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000172068145 510525607 /nfs/dbraw/zinc/52/56/07/510525607.db2.gz YQROFCYSOMLZCR-AZUAARDMSA-N 0 3 364.405 2.743 10 5 FFBEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000246742159 510646875 /nfs/dbraw/zinc/64/68/75/510646875.db2.gz BALLVAGIJWENRH-DVOMOZLQSA-N 0 3 351.472 2.920 10 5 FFBEHN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCCN(C2CC2)CC1 ZINC000172346460 510683200 /nfs/dbraw/zinc/68/32/00/510683200.db2.gz WQTXEFCSSQHMQD-GFCCVEGCSA-N 0 3 366.849 2.745 10 5 FFBEHN CC1CCN(C[C@@H](O)CNc2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000301696416 258063554 /nfs/dbraw/zinc/06/35/54/258063554.db2.gz YYDSBLAUZVDOCP-ZDUSSCGKSA-N 0 3 372.263 2.862 10 5 FFBEHN COC(=O)c1cc(Nc2cnn(CCN3CCCCC3)c2)ccc1[N+](=O)[O-] ZINC000301959606 258077665 /nfs/dbraw/zinc/07/76/65/258077665.db2.gz PCOKDRLKWZWLJD-UHFFFAOYSA-N 0 3 373.413 2.807 10 5 FFBEHN COc1ccc(NC(=O)[C@H](C)N2CCC(c3ccn[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000195505647 509200431 /nfs/dbraw/zinc/20/04/31/509200431.db2.gz OIRPRZGPDYPPLW-LBPRGKRZSA-N 0 3 373.413 2.533 10 5 FFBEHN CN1CCN([C@@H]2CCCCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000182901617 509486026 /nfs/dbraw/zinc/48/60/26/509486026.db2.gz RTKQCVSTENBBFJ-QGZVFWFLSA-N 0 3 366.893 2.850 10 5 FFBEHN C[C@H](NC[C@H](O)CN1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000173315850 509526339 /nfs/dbraw/zinc/52/63/39/509526339.db2.gz ONUBAVLLWQOWCN-YWZLYKJASA-N 0 3 355.438 2.665 10 5 FFBEHN COc1ccc(OCCN2CCC(c3ccnn3C)CC2)c([N+](=O)[O-])c1 ZINC000173605650 509670466 /nfs/dbraw/zinc/67/04/66/509670466.db2.gz WWXVZPSFKFXPNB-UHFFFAOYSA-N 0 3 360.414 2.595 10 5 FFBEHN CCN1CCC[C@@H]1CN(C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000177015265 509820006 /nfs/dbraw/zinc/82/00/06/509820006.db2.gz QGXSQPQOVBKOTK-CQSZACIVSA-N 0 3 369.849 2.960 10 5 FFBEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000190629916 510250830 /nfs/dbraw/zinc/25/08/30/510250830.db2.gz WYOOXVIIEKIJCN-HNNXBMFYSA-N 0 3 372.400 2.723 10 5 FFBEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000181308562 510349063 /nfs/dbraw/zinc/34/90/63/510349063.db2.gz IMYUBZWJGVBEOU-INIZCTEOSA-N 0 3 370.453 2.957 10 5 FFBEHN CCO[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C12CCOCC2 ZINC000194712595 510491191 /nfs/dbraw/zinc/49/11/91/510491191.db2.gz LVGUAEUGICGCOU-HZPDHXFCSA-N 0 3 365.386 2.567 10 5 FFBEHN Cc1nccn1C[C@H]1CCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000178328647 510547953 /nfs/dbraw/zinc/54/79/53/510547953.db2.gz BJNNAWFSMXXARZ-MRXNPFEDSA-N 0 3 368.397 2.814 10 5 FFBEHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)c1 ZINC000182063607 510735883 /nfs/dbraw/zinc/73/58/83/510735883.db2.gz SCMKMMVPWNFORQ-AWEZNQCLSA-N 0 3 357.410 2.854 10 5 FFBEHN CCN(CC)[C@@H](C)CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000110202084 728530949 /nfs/dbraw/zinc/53/09/49/728530949.db2.gz XWSVZTAZDTXVQC-JTQLQIEISA-N 0 3 365.402 2.733 10 5 FFBEHN O=[N+]([O-])c1cc(CN[C@@H]2CCCC[C@@H]2n2cccn2)c2c(c1)COCO2 ZINC000173572213 251209811 /nfs/dbraw/zinc/20/98/11/251209811.db2.gz RLVMOXLIWHTZRB-SJORKVTESA-N 0 3 358.398 2.931 10 5 FFBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](Oc2cccnc2)C1 ZINC000152455250 508450257 /nfs/dbraw/zinc/45/02/57/508450257.db2.gz WXFLVSLRHNPOCF-KRWDZBQOSA-N 0 3 370.409 2.780 10 5 FFBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](Oc2cccnc2)C1 ZINC000152567761 508471317 /nfs/dbraw/zinc/47/13/17/508471317.db2.gz NMILXLOPROLTLJ-KRWDZBQOSA-N 0 3 370.409 2.780 10 5 FFBEHN O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@@H](N4CCOCC4)C3)o2)c1 ZINC000121032671 509114620 /nfs/dbraw/zinc/11/46/20/509114620.db2.gz TZEQQNDBXSCVLS-QGZVFWFLSA-N 0 3 357.410 2.761 10 5 FFBEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000267464849 509500288 /nfs/dbraw/zinc/50/02/88/509500288.db2.gz LLXHEHSDRLSFPF-ZYHUDNBSSA-N 0 3 368.231 2.666 10 5 FFBEHN COc1ccc(CN2CC[C@@H](CN(C)Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000190490163 510161542 /nfs/dbraw/zinc/16/15/42/510161542.db2.gz ZJEIFHQOXXOZOX-SFHVURJKSA-N 0 3 370.453 2.952 10 5 FFBEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000190627398 510249335 /nfs/dbraw/zinc/24/93/35/510249335.db2.gz MKLLCRFPJCPEJT-INIZCTEOSA-N 0 3 354.410 2.584 10 5 FFBEHN CCOc1ccc([N+](=O)[O-])cc1CN1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000175117520 510489051 /nfs/dbraw/zinc/48/90/51/510489051.db2.gz XMQIINIBUFBOPB-HNNXBMFYSA-N 0 3 363.458 2.679 10 5 FFBEHN CN(Cc1cccnc1)C[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000195272396 510750935 /nfs/dbraw/zinc/75/09/35/510750935.db2.gz BWHGIGYDXBUJKG-GOSISDBHSA-N 0 3 370.453 2.823 10 5 FFBEHN Cc1cnn([C@@H]2CCCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000106225723 250258457 /nfs/dbraw/zinc/25/84/57/250258457.db2.gz RRAMOKRQTXKYGF-OAHLLOKOSA-N 0 3 357.414 2.765 10 5 FFBEHN Cc1cc(N2CCC[C@@H]2CN2CCC[C@H]2CO)c(Cl)cc1[N+](=O)[O-] ZINC000301700745 258063406 /nfs/dbraw/zinc/06/34/06/258063406.db2.gz DIBUABBVSUCIMA-KGLIPLIRSA-N 0 3 353.850 2.982 10 5 FFBEHN Cc1nccn1C[C@H]1CCCN1[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000154553519 508808297 /nfs/dbraw/zinc/80/82/97/508808297.db2.gz QYNATXINNUKYHK-GOEBONIOSA-N 0 3 371.441 2.900 10 5 FFBEHN O=C1CC[C@@H]2CN(CCCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]2N1C1CC1 ZINC000120155075 508939572 /nfs/dbraw/zinc/93/95/72/508939572.db2.gz WHYJJVFLQQQGLA-BEFAXECRSA-N 0 3 373.453 2.839 10 5 FFBEHN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCN2CCC[C@@H]2C1 ZINC000179420367 509434560 /nfs/dbraw/zinc/43/45/60/509434560.db2.gz AVBFKOQGRZFVKW-LLVKDONJSA-N 0 3 369.219 2.669 10 5 FFBEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000180487407 509952073 /nfs/dbraw/zinc/95/20/73/509952073.db2.gz LRKIEYBQTOLETB-HNNXBMFYSA-N 0 3 356.426 2.915 10 5 FFBEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000190665045 510271591 /nfs/dbraw/zinc/27/15/91/510271591.db2.gz VWHPSLXGRDDNLA-HNNXBMFYSA-N 0 3 372.400 2.723 10 5 FFBEHN CNc1cc(N2CCC[C@@H]2CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)ncn1 ZINC000178222405 510495416 /nfs/dbraw/zinc/49/54/16/510495416.db2.gz TYEQHUFZHDWWNZ-XJKSGUPXSA-N 0 3 356.430 2.746 10 5 FFBEHN Cc1nccn1C[C@H]1CCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000178313971 510542232 /nfs/dbraw/zinc/54/22/32/510542232.db2.gz MNZUSAQTTSUYMM-MRXNPFEDSA-N 0 3 368.397 2.814 10 5 FFBEHN O=[N+]([O-])c1cc(CN[C@H]2CCCC[C@@H]2n2cccn2)c2c(c1)COCO2 ZINC000173572187 251209801 /nfs/dbraw/zinc/20/98/01/251209801.db2.gz RLVMOXLIWHTZRB-IRXDYDNUSA-N 0 3 358.398 2.931 10 5 FFBEHN CN(C)[C@@H]1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000192871506 509678827 /nfs/dbraw/zinc/67/88/27/509678827.db2.gz YQGHTUUZLZHKND-MRXNPFEDSA-N 0 3 369.421 2.950 10 5 FFBEHN CN(Cc1cccnc1)C[C@@H]1CCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000190448751 510138385 /nfs/dbraw/zinc/13/83/85/510138385.db2.gz SGFLZMBCFVKHHC-AWEZNQCLSA-N 0 3 372.454 2.657 10 5 FFBEHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000190559625 510207225 /nfs/dbraw/zinc/20/72/25/510207225.db2.gz SLZXVZUAGRVJAI-AWEZNQCLSA-N 0 3 374.466 2.954 10 5 FFBEHN O=[N+]([O-])c1ccc(CNC2CCC(O)(c3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC000194713810 510490848 /nfs/dbraw/zinc/49/08/48/510490848.db2.gz BAFQKDMZRGJNJG-UHFFFAOYSA-N 0 3 372.381 2.818 10 5 FFBEHN CN(C(=O)CN[C@H]1CCCC[C@@H]1n1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000128971154 508665504 /nfs/dbraw/zinc/66/55/04/508665504.db2.gz VOJGXXYLBFAEKZ-IRXDYDNUSA-N 0 3 357.414 2.528 10 5 FFBEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000267464847 509498816 /nfs/dbraw/zinc/49/88/16/509498816.db2.gz LLXHEHSDRLSFPF-JQWIXIFHSA-N 0 3 368.231 2.666 10 5 FFBEHN CCN1CCC[C@H]1CN(C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000177705160 510207976 /nfs/dbraw/zinc/20/79/76/510207976.db2.gz BTLFLUBCJRCMMT-ZDUSSCGKSA-N 0 3 354.838 2.603 10 5 FFBEHN CC[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCN1C[C@H](C)O ZINC000245924751 510208895 /nfs/dbraw/zinc/20/88/95/510208895.db2.gz TXQAHJAGLGIUHZ-WMLDXEAASA-N 0 3 374.441 2.527 10 5 FFBEHN CC(C)COc1ccc([C@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000181408510 510396061 /nfs/dbraw/zinc/39/60/61/510396061.db2.gz XRTRIZUHFBDUQO-YOEHRIQHSA-N 0 3 362.430 2.538 10 5 FFBEHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCN(C2CC2)CC1 ZINC000172346260 510683683 /nfs/dbraw/zinc/68/36/83/510683683.db2.gz XSGNQUKPNQIRFP-CYBMUJFWSA-N 0 3 357.414 2.876 10 5 FFBEHN O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCN2CCC[C@H]2C1 ZINC000195309340 510775681 /nfs/dbraw/zinc/77/56/81/510775681.db2.gz QTEVWFAEKKIWJM-INIZCTEOSA-N 0 3 358.442 2.505 10 5 FFBEHN CN(c1cccnn1)C1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000106083167 250231860 /nfs/dbraw/zinc/23/18/60/250231860.db2.gz ORBKRAMPCWGISR-UHFFFAOYSA-N 0 3 371.441 2.755 10 5 FFBEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000131111504 508888940 /nfs/dbraw/zinc/88/89/40/508888940.db2.gz CKRXAUNMQIWBIR-ZWNOBZJWSA-N 0 3 357.332 2.922 10 5 FFBEHN CC1CCN(c2ccc(C(=O)N3CC[C@@H](N(C)C)C3)cc2[N+](=O)[O-])CC1 ZINC000170863048 509820831 /nfs/dbraw/zinc/82/08/31/509820831.db2.gz FBEBYAHGAFAMFE-MRXNPFEDSA-N 0 3 360.458 2.607 10 5 FFBEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181898594 510648429 /nfs/dbraw/zinc/64/84/29/510648429.db2.gz JSLBDQDGJZBYQD-CMPLNLGQSA-N 0 3 355.341 2.505 10 5 FFBEHN Cc1nccn1C[C@@H]1CCCN1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000178752973 510753628 /nfs/dbraw/zinc/75/36/28/510753628.db2.gz ZNCFNDCYBXZYJQ-INIZCTEOSA-N 0 3 357.414 2.511 10 5 FFBEHN O=[N+]([O-])c1ccc(CCN2CCCN(Cc3noc(C4CC4)n3)CC2)cc1 ZINC000106150173 250243502 /nfs/dbraw/zinc/24/35/02/250243502.db2.gz OGRGOSRNXINXHH-UHFFFAOYSA-N 0 3 371.441 2.606 10 5 FFBEHN Cc1nc(C)n(C[C@H]2CCCN(CCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000106177442 250247994 /nfs/dbraw/zinc/24/79/94/250247994.db2.gz AEQCKGVWJNSSTL-INIZCTEOSA-N 0 3 359.430 2.594 10 5 FFBEHN Cc1ccc(S(=O)(=O)N2CCCC[C@@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000107708453 250311629 /nfs/dbraw/zinc/31/16/29/250311629.db2.gz SLVADECZBRKQTO-OAHLLOKOSA-N 0 3 367.471 2.542 10 5 FFBEHN CS(=O)(=O)c1cc(N[C@@H]2CCN(CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301805045 258068590 /nfs/dbraw/zinc/06/85/90/258068590.db2.gz VGZLIPZDHSVUAR-OAHLLOKOSA-N 0 3 367.471 2.675 10 5 FFBEHN CCCc1n[n-]c(C(=O)N2CCC[C@H](n3cc[nH+]c3CC)C2)c1[N+](=O)[O-] ZINC000109677062 507979912 /nfs/dbraw/zinc/97/99/12/507979912.db2.gz ZNLQHBYCKWWWGH-LBPRGKRZSA-N 0 3 360.418 2.507 10 5 FFBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000109790099 507987043 /nfs/dbraw/zinc/98/70/43/507987043.db2.gz QLDULTDBWMMBFT-INIZCTEOSA-N 0 3 374.485 2.532 10 5 FFBEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000113226807 508252481 /nfs/dbraw/zinc/25/24/81/508252481.db2.gz GGKMQPKBAQRGEM-DOTOQJQBSA-N 0 3 372.469 2.506 10 5 FFBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](Oc2cccnc2)C1 ZINC000152455369 508449707 /nfs/dbraw/zinc/44/97/07/508449707.db2.gz WXFLVSLRHNPOCF-QGZVFWFLSA-N 0 3 370.409 2.780 10 5 FFBEHN COc1ccc(NC(=O)CN[C@H]2CCCC[C@@H]2n2cccn2)c([N+](=O)[O-])c1 ZINC000128413624 508589748 /nfs/dbraw/zinc/58/97/48/508589748.db2.gz YHWSUQMXOOYVQE-HOCLYGCPSA-N 0 3 373.413 2.512 10 5 FFBEHN Cc1nccn1C[C@H]1CCCN1[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000154542664 508805573 /nfs/dbraw/zinc/80/55/73/508805573.db2.gz PREGGWWJPPEVLB-SUMWQHHRSA-N 0 3 357.414 2.591 10 5 FFBEHN C[C@H](CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000180043126 509723303 /nfs/dbraw/zinc/72/33/03/509723303.db2.gz CCHLVXOBTJPPFA-UZLBHIALSA-N 0 3 355.438 2.995 10 5 FFBEHN CN(C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCCN(c2cccnn2)C1 ZINC000255715013 509933182 /nfs/dbraw/zinc/93/31/82/509933182.db2.gz CHAHDMUBMVQNKH-CTEOGUNLSA-N 0 3 353.426 2.999 10 5 FFBEHN CCOc1ccc([C@@H](C)N[C@@H]2CCc3nc(CC)nn3C2)cc1[N+](=O)[O-] ZINC000180618492 510016511 /nfs/dbraw/zinc/01/65/11/510016511.db2.gz HXGBBIWBTYAHRA-TZMCWYRMSA-N 0 3 359.430 2.813 10 5 FFBEHN O=C1Nc2ccccc2[C@H]1CCNCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194181983 510252007 /nfs/dbraw/zinc/25/20/07/510252007.db2.gz UCJAWPXIXPCUAV-CQSZACIVSA-N 0 3 356.338 2.719 10 5 FFBEHN CCN1CCC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000194347031 510322972 /nfs/dbraw/zinc/32/29/72/510322972.db2.gz YYCLLWWQBIKNHH-SNVBAGLBSA-N 0 3 358.345 2.802 10 5 FFBEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000182071803 510740929 /nfs/dbraw/zinc/74/09/29/510740929.db2.gz HFKIGJYYMDJUPF-HNNXBMFYSA-N 0 3 357.410 2.610 10 5 FFBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCCC[C@@H]1n1cccn1 ZINC000128698688 508630896 /nfs/dbraw/zinc/63/08/96/508630896.db2.gz INQOIYDDZAOGDG-HOCLYGCPSA-N 0 3 373.413 2.512 10 5 FFBEHN C[C@H]1CCC[C@](CNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)(N(C)C)C1 ZINC000123986460 508767058 /nfs/dbraw/zinc/76/70/58/508767058.db2.gz FRAJAAIKZXARJH-GUYCJALGSA-N 0 3 369.487 2.921 10 5 FFBEHN Cc1c(NC(=O)CCN2CCC(c3ccnn3C)CC2)cccc1[N+](=O)[O-] ZINC000160517290 508998118 /nfs/dbraw/zinc/99/81/18/508998118.db2.gz ARGDIQYJRKQEAT-UHFFFAOYSA-N 0 3 371.441 2.845 10 5 FFBEHN CC(C)N1C[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@@H](C)C1 ZINC000155744881 509063278 /nfs/dbraw/zinc/06/32/78/509063278.db2.gz BNTJILYJKXMJEL-RDJZCZTQSA-N 0 3 374.485 2.656 10 5 FFBEHN O=[N+]([O-])c1cnc(NCC2CCN(C[C@@H](O)c3ccccc3)CC2)s1 ZINC000192451349 509524769 /nfs/dbraw/zinc/52/47/69/509524769.db2.gz XFHMWTRWKWSDGS-OAHLLOKOSA-N 0 3 362.455 2.909 10 5 FFBEHN CCN1CCC[C@H]1CN(C)C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000176982512 509798379 /nfs/dbraw/zinc/79/83/79/509798379.db2.gz OKWIJAKODONZLP-LBPRGKRZSA-N 0 3 367.471 2.882 10 5 FFBEHN CCN1CCC[C@H]1CN(C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000177015282 509819377 /nfs/dbraw/zinc/81/93/77/509819377.db2.gz QGXSQPQOVBKOTK-AWEZNQCLSA-N 0 3 369.849 2.960 10 5 FFBEHN O=[N+]([O-])c1ccc(CN[C@@H]2CCO[C@@]3(CCSC3)C2)c([N+](=O)[O-])c1 ZINC000194514372 510402756 /nfs/dbraw/zinc/40/27/56/510402756.db2.gz CCMBSWNJHWFAHE-DOMZBBRYSA-N 0 3 353.400 2.647 10 5 FFBEHN CCO[C@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C12CCOCC2 ZINC000194712614 510490747 /nfs/dbraw/zinc/49/07/47/510490747.db2.gz LVGUAEUGICGCOU-CVEARBPZSA-N 0 3 365.386 2.567 10 5 FFBEHN O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCN2CCC[C@@H]2C1 ZINC000195309331 510775482 /nfs/dbraw/zinc/77/54/82/510775482.db2.gz QTEVWFAEKKIWJM-MRXNPFEDSA-N 0 3 358.442 2.505 10 5 FFBEHN CC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CCN1C[C@H](C)O ZINC000247779473 510870336 /nfs/dbraw/zinc/87/03/36/510870336.db2.gz RMIGUYJQHPRLAW-DOTOQJQBSA-N 0 3 365.474 2.659 10 5 FFBEHN CN1CCC(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000071564947 249756863 /nfs/dbraw/zinc/75/68/63/249756863.db2.gz XYTLHQPCUOQMIS-UHFFFAOYSA-N 0 3 356.382 2.715 10 5 FFBEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000192384527 509496559 /nfs/dbraw/zinc/49/65/59/509496559.db2.gz CQWLYMXFPOJAAF-PWSUYJOCSA-N 0 3 370.247 2.816 10 5 FFBEHN Cc1nccn1C[C@H]1CCCN1[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000154553400 508808040 /nfs/dbraw/zinc/80/80/40/508808040.db2.gz QYNATXINNUKYHK-GDBMZVCRSA-N 0 3 371.441 2.900 10 5 FFBEHN Cc1c(NC(=O)[C@@H](C)N2CCC(c3ccn[nH]3)CC2)cccc1[N+](=O)[O-] ZINC000195505145 509198132 /nfs/dbraw/zinc/19/81/32/509198132.db2.gz YAISONATNUPJJB-CYBMUJFWSA-N 0 3 357.414 2.833 10 5 FFBEHN CCOc1ccc(NC(=O)CN2CCC(c3ccn[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000195506735 509199971 /nfs/dbraw/zinc/19/99/71/509199971.db2.gz SVNJLDUJBDEOEF-UHFFFAOYSA-N 0 3 373.413 2.535 10 5 FFBEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000188817087 509277843 /nfs/dbraw/zinc/27/78/43/509277843.db2.gz FEXNGCNBYWPESF-MRXNPFEDSA-N 0 3 369.425 2.976 10 5 FFBEHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cccc(Br)c1 ZINC000182570051 509308669 /nfs/dbraw/zinc/30/86/69/509308669.db2.gz GZTXWKBWOGVTHX-NSHDSACASA-N 0 3 366.215 2.870 10 5 FFBEHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1cccnc1-n1cncn1)CCC2 ZINC000192672369 509592106 /nfs/dbraw/zinc/59/21/06/509592106.db2.gz DQTKUBVMMVWYNQ-KRWDZBQOSA-N 0 3 350.382 2.738 10 5 FFBEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000177043157 509835556 /nfs/dbraw/zinc/83/55/56/509835556.db2.gz CTZCUOINRCRPDT-CYBMUJFWSA-N 0 3 364.402 2.676 10 5 FFBEHN O=C(CCN1CCCN(c2ccccn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000183775358 509969668 /nfs/dbraw/zinc/96/96/68/509969668.db2.gz PUHPQJGADTZVJC-UHFFFAOYSA-N 0 3 369.425 2.531 10 5 FFBEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000245531782 509988418 /nfs/dbraw/zinc/98/84/18/509988418.db2.gz UCHRXVRMDRMXMB-ZWNOBZJWSA-N 0 3 357.357 2.655 10 5 FFBEHN CCN1CCC[C@H]1CN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000177696723 510205239 /nfs/dbraw/zinc/20/52/39/510205239.db2.gz DOTKZSOIKSIEQV-JSGCOSHPSA-N 0 3 368.865 2.991 10 5 FFBEHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000246254560 510392460 /nfs/dbraw/zinc/39/24/60/510392460.db2.gz JVBWWCKRJGBNPS-DOTOQJQBSA-N 0 3 367.409 2.551 10 5 FFBEHN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCN2CCC[C@@H]2C1 ZINC000171890739 510432483 /nfs/dbraw/zinc/43/24/83/510432483.db2.gz KNISSQAUEGQOCC-LLVKDONJSA-N 0 3 356.329 2.508 10 5 FFBEHN CCN(CC)[C@H](C)CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000110202086 728530952 /nfs/dbraw/zinc/53/09/52/728530952.db2.gz XWSVZTAZDTXVQC-SNVBAGLBSA-N 0 3 365.402 2.733 10 5 FFBEHN COC(=O)c1ccc([N+](=O)[O-])c(Nc2cnn(CCN3CCCCC3)c2)c1 ZINC000302147732 258091092 /nfs/dbraw/zinc/09/10/92/258091092.db2.gz GYFGUGYNKVRMHT-UHFFFAOYSA-N 0 3 373.413 2.807 10 5 FFBEHN Cc1c(F)cc(S(=O)(=O)NC2CCN(C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000133665883 508432052 /nfs/dbraw/zinc/43/20/52/508432052.db2.gz RLZSWHXCICQPJM-UHFFFAOYSA-N 0 3 373.450 2.584 10 5 FFBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000127869168 508512676 /nfs/dbraw/zinc/51/26/76/508512676.db2.gz AHBFIEGXGZDING-SJORKVTESA-N 0 3 357.414 2.812 10 5 FFBEHN COc1ccc(NC(=O)CN[C@@H]2CCCC[C@H]2n2cccn2)c([N+](=O)[O-])c1 ZINC000128413886 508589880 /nfs/dbraw/zinc/58/98/80/508589880.db2.gz YHWSUQMXOOYVQE-GDBMZVCRSA-N 0 3 373.413 2.512 10 5 FFBEHN Cc1nccn1C[C@@H]1CCCN1[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000154542562 508805633 /nfs/dbraw/zinc/80/56/33/508805633.db2.gz PREGGWWJPPEVLB-GUYCJALGSA-N 0 3 357.414 2.591 10 5 FFBEHN CN(CC(=O)OC(C)(C)C)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000191980217 509275493 /nfs/dbraw/zinc/27/54/93/509275493.db2.gz BSZDROWUVJYUPK-UHFFFAOYSA-N 0 3 363.458 2.833 10 5 FFBEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000188817069 509277292 /nfs/dbraw/zinc/27/72/92/509277292.db2.gz FEXNGCNBYWPESF-INIZCTEOSA-N 0 3 369.425 2.976 10 5 FFBEHN Cn1cc(CN2CCN3CCCC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000245552937 510001909 /nfs/dbraw/zinc/00/19/09/510001909.db2.gz DWDLYNGKYMZORY-SFHVURJKSA-N 0 3 355.442 2.665 10 5 FFBEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000190645184 510258704 /nfs/dbraw/zinc/25/87/04/510258704.db2.gz CXKKFQDRQAXOHU-OAHLLOKOSA-N 0 3 372.400 2.723 10 5 FFBEHN CCOc1ccc([N+](=O)[O-])cc1CN1CCC(N2CCO[C@H](C)C2)CC1 ZINC000175117501 510490081 /nfs/dbraw/zinc/49/00/81/510490081.db2.gz XMQIINIBUFBOPB-OAHLLOKOSA-N 0 3 363.458 2.679 10 5 FFBEHN C[C@@H](NCCOc1ccccc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000182194937 510808701 /nfs/dbraw/zinc/80/87/01/510808701.db2.gz OGHYQNNKBBSENK-CYBMUJFWSA-N 0 3 364.423 2.728 10 5 FFBEHN O=[N+]([O-])c1cc(CN[C@@H]2CCCC[C@H]2n2cccn2)c2c(c1)COCO2 ZINC000173572199 251209807 /nfs/dbraw/zinc/20/98/07/251209807.db2.gz RLVMOXLIWHTZRB-IAGOWNOFSA-N 0 3 358.398 2.931 10 5 FFBEHN CCN1CCC[C@@H](NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1 ZINC000119479830 508804411 /nfs/dbraw/zinc/80/44/11/508804411.db2.gz VYZQURLNMYVNKO-GFCCVEGCSA-N 0 3 370.247 2.880 10 5 FFBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(c2cc[nH]n2)CC1 ZINC000160533996 508999624 /nfs/dbraw/zinc/99/96/24/508999624.db2.gz DQOBDTWNYWVXCQ-UHFFFAOYSA-N 0 3 373.413 2.535 10 5 FFBEHN Cc1nccn1C[C@@H]1CCCN1[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000245903412 510198390 /nfs/dbraw/zinc/19/83/90/510198390.db2.gz BMBIOUILIJNURK-HIFRSBDPSA-N 0 3 357.414 2.591 10 5 FFBEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000246068776 510275140 /nfs/dbraw/zinc/27/51/40/510275140.db2.gz CKRXAUNMQIWBIR-GWCFXTLKSA-N 0 3 357.332 2.922 10 5 FFBEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000181308515 510350260 /nfs/dbraw/zinc/35/02/60/510350260.db2.gz PADDQRLQUZKZHN-HNNXBMFYSA-N 0 3 356.426 2.915 10 5 FFBEHN CC(C)COc1ccc([C@@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000181408529 510395272 /nfs/dbraw/zinc/39/52/72/510395272.db2.gz XRTRIZUHFBDUQO-RHSMWYFYSA-N 0 3 362.430 2.538 10 5 FFBEHN Cc1nccn1C[C@@H]1CCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000178328631 510549097 /nfs/dbraw/zinc/54/90/97/510549097.db2.gz BJNNAWFSMXXARZ-INIZCTEOSA-N 0 3 368.397 2.814 10 5 FFBEHN COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)cc1SC ZINC000246802500 510682235 /nfs/dbraw/zinc/68/22/35/510682235.db2.gz BWHQMLHRIRXADC-RYUDHWBXSA-N 0 3 365.455 2.634 10 5 FFBEHN Cc1nccn1C[C@H]1CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000178746793 510751329 /nfs/dbraw/zinc/75/13/29/510751329.db2.gz NITLKRLLNXRCGR-MRXNPFEDSA-N 0 3 357.414 2.511 10 5 FFBEHN CNC(=O)c1ccc(N[C@@H](C)CN(C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000311856747 511780660 /nfs/dbraw/zinc/78/06/60/511780660.db2.gz WVIMXQMFMUUQBH-AWEZNQCLSA-N 0 3 356.426 2.887 10 5 FFBEHN C[C@@H]1N([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCC12CCOCC2 ZINC000371814524 512586705 /nfs/dbraw/zinc/58/67/05/512586705.db2.gz FBQNREOLPRPMAL-YOEHRIQHSA-N 0 3 359.426 2.591 10 5 FFBEHN Cc1ccc(S(=O)(=O)N2CCCC[C@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000107708507 250311345 /nfs/dbraw/zinc/31/13/45/250311345.db2.gz SCAWCSNKOWPTJT-HNNXBMFYSA-N 0 3 367.471 2.542 10 5 FFBEHN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@H](N4CCOCC4)C3)o2)cc1 ZINC000120993904 509105458 /nfs/dbraw/zinc/10/54/58/509105458.db2.gz GTNYFDSZPFTMTH-KRWDZBQOSA-N 0 3 357.410 2.761 10 5 FFBEHN CN1CCN([C@H]2CCCCN(Cc3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000182352256 509189107 /nfs/dbraw/zinc/18/91/07/509189107.db2.gz LLLHLSYNDLCHKZ-KRWDZBQOSA-N 0 3 366.893 2.850 10 5 FFBEHN CCO[C@@H]1C[C@H](NCc2ccc(OC)c([N+](=O)[O-])c2)C12CCOCC2 ZINC000186292093 509628538 /nfs/dbraw/zinc/62/85/38/509628538.db2.gz BRIRSYQVBHPAFZ-DLBZAZTESA-N 0 3 350.415 2.667 10 5 FFBEHN O=C1Nc2ccccc2[C@@H]1CCNCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194181966 510252231 /nfs/dbraw/zinc/25/22/31/510252231.db2.gz UCJAWPXIXPCUAV-AWEZNQCLSA-N 0 3 356.338 2.719 10 5 FFBEHN C[C@H]1CN(C2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)CC2)CCO1 ZINC000172179961 510585826 /nfs/dbraw/zinc/58/58/26/510585826.db2.gz YLPSSYHSHDHBRA-ZDUSSCGKSA-N 0 3 353.850 2.933 10 5 FFBEHN CC(C)(C)OC(=O)n1cnc([C@@H]2CN(Cc3ccccc3)CC2[N+](=O)[O-])c1 ZINC000575153735 519529948 /nfs/dbraw/zinc/52/99/48/519529948.db2.gz GTGYNBNHBFNXOS-DOTOQJQBSA-N 0 3 372.425 2.911 10 5 FFBEHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000107708618 250310566 /nfs/dbraw/zinc/31/05/66/250310566.db2.gz PXILZWHZPLMODG-INIZCTEOSA-N 0 3 367.471 2.542 10 5 FFBEHN Cc1ccc(S(=O)(=O)N2CCCC[C@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000107708450 250311686 /nfs/dbraw/zinc/31/16/86/250311686.db2.gz SLVADECZBRKQTO-HNNXBMFYSA-N 0 3 367.471 2.542 10 5 FFBEHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000302788816 258110905 /nfs/dbraw/zinc/11/09/05/258110905.db2.gz CYMVNZFDOSKUEV-LJQANCHMSA-N 0 3 359.401 2.807 10 5 FFBEHN CN(CC1CCN(C[C@@H](O)c2ccccc2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000112556675 508197104 /nfs/dbraw/zinc/19/71/04/508197104.db2.gz JZFSHLLZPOVNTN-LJQANCHMSA-N 0 3 370.453 2.872 10 5 FFBEHN C[C@H]1CCC[C@@](CNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)(N(C)C)C1 ZINC000123986050 508767035 /nfs/dbraw/zinc/76/70/35/508767035.db2.gz FRAJAAIKZXARJH-SUMWQHHRSA-N 0 3 369.487 2.921 10 5 FFBEHN COc1ccc(NC(=O)CCN2CCC(c3cc[nH]n3)CC2)c([N+](=O)[O-])c1 ZINC000160533575 508999494 /nfs/dbraw/zinc/99/94/94/508999494.db2.gz FHMIMTQPMXIPMJ-UHFFFAOYSA-N 0 3 373.413 2.535 10 5 FFBEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000179713226 509586208 /nfs/dbraw/zinc/58/62/08/509586208.db2.gz UBUPVJLMZDADKA-ZDUSSCGKSA-N 0 3 367.409 2.721 10 5 FFBEHN COc1ccc(OCCN2CCC(Cc3nccn3C)CC2)c([N+](=O)[O-])c1 ZINC000173692359 509724056 /nfs/dbraw/zinc/72/40/56/509724056.db2.gz LPINUBKHWCICDZ-UHFFFAOYSA-N 0 3 374.441 2.670 10 5 FFBEHN CN(C)[C@H]1CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000170858332 509816211 /nfs/dbraw/zinc/81/62/11/509816211.db2.gz HMDDJAPTZDLVMA-LBPRGKRZSA-N 0 3 374.363 2.578 10 5 FFBEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000246254386 510390436 /nfs/dbraw/zinc/39/04/36/510390436.db2.gz XDEZFYCTRWKHFP-PWSUYJOCSA-N 0 3 368.231 2.666 10 5 FFBEHN O=C(c1cc(N2CCCN(C3CC3)CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000171831648 510396270 /nfs/dbraw/zinc/39/62/70/510396270.db2.gz HPOUHLJVNNJYSD-UHFFFAOYSA-N 0 3 358.442 2.505 10 5 FFBEHN C[C@@H]1CN(C2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)CCO1 ZINC000172021249 510502624 /nfs/dbraw/zinc/50/26/24/510502624.db2.gz WSDRTRKPLYJPME-CYBMUJFWSA-N 0 3 353.850 2.933 10 5 FFBEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000175436831 510646016 /nfs/dbraw/zinc/64/60/16/510646016.db2.gz ROCOZLYCQOIFOA-CHWSQXEVSA-N 0 3 362.386 2.510 10 5 FFBEHN Cc1nccn1C[C@@H]1CCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000178747174 510751790 /nfs/dbraw/zinc/75/17/90/510751790.db2.gz WZPITTKHWVCVSH-INIZCTEOSA-N 0 3 368.397 2.814 10 5 FFBEHN CCN1CCC[C@H](NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000155112174 728820858 /nfs/dbraw/zinc/82/08/58/728820858.db2.gz OTXLPOCDCHJVJN-NSHDSACASA-N 0 3 371.235 2.963 10 5 FFBEHN Cc1nc(C[C@@H]2CCCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)no1 ZINC000103150263 250137158 /nfs/dbraw/zinc/13/71/58/250137158.db2.gz GMSUKIQJBFTZGD-AWEZNQCLSA-N 0 3 373.413 2.570 10 5 FFBEHN CC[C@@H]1CN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CCN1CCOC ZINC000302039058 258083736 /nfs/dbraw/zinc/08/37/36/258083736.db2.gz VRYQHQKQRJFNMA-OAHLLOKOSA-N 0 3 358.442 2.998 10 5 FFBEHN CN(CC1CCN(C[C@@H](O)c2ccccc2)CC1)c1ncccc1[N+](=O)[O-] ZINC000110561093 508033382 /nfs/dbraw/zinc/03/33/82/508033382.db2.gz XYRZCUHHQZURJB-LJQANCHMSA-N 0 3 370.453 2.872 10 5 FFBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCC[C@@H]1c1cn[nH]c1 ZINC000114482925 508320603 /nfs/dbraw/zinc/32/06/03/508320603.db2.gz MLQCBQDTJFEBPV-MRXNPFEDSA-N 0 3 373.413 2.882 10 5 FFBEHN Cc1c(NC(=O)CCN2CC[C@@H](Oc3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000152451061 508449202 /nfs/dbraw/zinc/44/92/02/508449202.db2.gz IAQGSDAZAMYLPC-MRXNPFEDSA-N 0 3 370.409 2.780 10 5 FFBEHN CN(C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCCN(c2cccnn2)C1 ZINC000120180428 508945168 /nfs/dbraw/zinc/94/51/68/508945168.db2.gz CHAHDMUBMVQNKH-ZGRWHYIRSA-N 0 3 353.426 2.999 10 5 FFBEHN CN(Cc1cccnc1)C[C@H]1CCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000190448769 510138451 /nfs/dbraw/zinc/13/84/51/510138451.db2.gz SGFLZMBCFVKHHC-CQSZACIVSA-N 0 3 372.454 2.657 10 5 FFBEHN Cc1nccn1C[C@@H]1CCCN1[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000245899648 510195672 /nfs/dbraw/zinc/19/56/72/510195672.db2.gz AQEZSAOLUPZNHS-DYVFJYSZSA-N 0 3 357.414 2.591 10 5 FFBEHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190578956 510219834 /nfs/dbraw/zinc/21/98/34/510219834.db2.gz YAXVRNMOYWSGHK-KRWDZBQOSA-N 0 3 368.437 2.892 10 5 FFBEHN COc1ccc(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000182104377 510760194 /nfs/dbraw/zinc/76/01/94/510760194.db2.gz IBEXHKVMGHPCHI-AWEZNQCLSA-N 0 3 357.410 2.854 10 5 FFBEHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)Cc1ccccn1 ZINC000588445751 965031556 /nfs/dbraw/zinc/03/15/56/965031556.db2.gz SGEBVAJGEFQELJ-PEZBUJJGSA-N 0 3 368.437 2.984 10 5 FFBEHN CN(C)C[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000054646371 506594542 /nfs/dbraw/zinc/59/45/42/506594542.db2.gz JFUUQXBLJZNLFW-SFHVURJKSA-N 0 3 356.426 2.739 10 5 FFBEHN Cn1cc([C@@H]2CCN(Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000128361723 508582601 /nfs/dbraw/zinc/58/26/01/508582601.db2.gz UINUYPTXBNAOOA-OAHLLOKOSA-N 0 3 366.425 2.718 10 5 FFBEHN Cc1ncsc1CN(C)C[C@@H]1CCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000193519143 509947943 /nfs/dbraw/zinc/94/79/43/509947943.db2.gz RLLWEVVYDJVPLW-ZDUSSCGKSA-N 0 3 361.471 2.900 10 5 FFBEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000245520588 509981529 /nfs/dbraw/zinc/98/15/29/509981529.db2.gz JSLBDQDGJZBYQD-PWSUYJOCSA-N 0 3 355.341 2.505 10 5 FFBEHN CN(Cc1cccnc1)C[C@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000190448024 510136275 /nfs/dbraw/zinc/13/62/75/510136275.db2.gz VQOUCQGBOICUEL-CQSZACIVSA-N 0 3 361.833 2.997 10 5 FFBEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000190637285 510254041 /nfs/dbraw/zinc/25/40/41/510254041.db2.gz YGXKLAVDDMUWPU-CQSZACIVSA-N 0 3 360.439 2.645 10 5 FFBEHN Cn1cc([C@@H]2CCCN2CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cn1 ZINC000181682904 510536888 /nfs/dbraw/zinc/53/68/88/510536888.db2.gz FNQWRLJNCBVPKZ-INIZCTEOSA-N 0 3 361.377 2.633 10 5 FFBEHN C[C@H]1CN(C2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)CCO1 ZINC000182080382 510745221 /nfs/dbraw/zinc/74/52/21/510745221.db2.gz DAXVQULHKUSAGT-ZDUSSCGKSA-N 0 3 353.850 2.933 10 5 FFBEHN CN(Cc1cccnc1)C[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000195272380 510750986 /nfs/dbraw/zinc/75/09/86/510750986.db2.gz BWHGIGYDXBUJKG-SFHVURJKSA-N 0 3 370.453 2.823 10 5 FFBEHN CN(CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Cc1ccc(F)cc1 ZINC000248581139 509376387 /nfs/dbraw/zinc/37/63/87/509376387.db2.gz VVMNMBJFAPPZMJ-QGZVFWFLSA-N 0 3 373.432 2.747 10 5 FFBEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000190573979 510215131 /nfs/dbraw/zinc/21/51/31/510215131.db2.gz FAGSUCVYMBWRFM-SFHVURJKSA-N 0 3 368.437 2.513 10 5 FFBEHN CC(C)COc1ccc([C@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000181408550 510395350 /nfs/dbraw/zinc/39/53/50/510395350.db2.gz XRTRIZUHFBDUQO-WMLDXEAASA-N 0 3 362.430 2.538 10 5 FFBEHN CCO[C@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C12CCOCC2 ZINC000194712577 510490525 /nfs/dbraw/zinc/49/05/25/510490525.db2.gz LVGUAEUGICGCOU-HOTGVXAUSA-N 0 3 365.386 2.567 10 5 FFBEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000246742188 510647848 /nfs/dbraw/zinc/64/78/48/510647848.db2.gz BALLVAGIJWENRH-WWGRRREGSA-N 0 3 351.472 2.920 10 5 FFBEHN