smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000119559046 700632720 /nfs/dbraw/zinc/63/27/20/700632720.db2.gz FZTGMEIBLNJKNM-CQSZACIVSA-N 0 0 368.361 3.229 10 5 FGBERN C[C@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000155148560 705065717 /nfs/dbraw/zinc/06/57/17/705065717.db2.gz JFCGCPRNRCRQQP-UFBFGSQYSA-N 0 0 358.192 3.046 10 5 FGBERN O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@H]2Oc1cccc([N+](=O)[O-])c1 ZINC000035682670 204997886 /nfs/dbraw/zinc/99/78/86/204997886.db2.gz GAASBNJXOZDPDG-MRXNPFEDSA-N 0 0 371.393 3.016 10 5 FGBERN O=C(COc1ccccc1Cl)N1CCN=Cc2cc([N+](=O)[O-])ccc21 ZINC000073642501 205032636 /nfs/dbraw/zinc/03/26/36/205032636.db2.gz IQTMGANURUGEBQ-UHFFFAOYSA-N 0 0 359.769 3.093 10 5 FGBERN Cn1cc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(=O)c2ccccc21 ZINC000041056963 205087780 /nfs/dbraw/zinc/08/77/80/205087780.db2.gz LNAQUIOSZBAOFW-UHFFFAOYSA-N 0 0 357.753 3.352 10 5 FGBERN CCOc1ccccc1Nc1ncnc(-n2nc(C)cc2C)c1[N+](=O)[O-] ZINC000040661490 205075543 /nfs/dbraw/zinc/07/55/43/205075543.db2.gz QNWOJNVVJZNVSE-UHFFFAOYSA-N 0 0 354.370 3.330 10 5 FGBERN Cc1c(C(N)=O)c2ccccc2n1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000226368014 206123240 /nfs/dbraw/zinc/12/32/40/206123240.db2.gz HZFGMQOHMQCLJU-UHFFFAOYSA-N 0 0 357.753 3.299 10 5 FGBERN COc1cc(OC)cc([C@H]2CCN(c3cc(CO)ccc3[N+](=O)[O-])C2)c1 ZINC000302074794 257383587 /nfs/dbraw/zinc/38/35/87/257383587.db2.gz XHIGLLNJRAZHEA-AWEZNQCLSA-N 0 0 358.394 3.098 10 5 FGBERN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000088267576 494223612 /nfs/dbraw/zinc/22/36/12/494223612.db2.gz LJRYRIFDMDXXDU-UHFFFAOYSA-N 0 0 369.421 3.094 10 5 FGBERN O=[N+]([O-])c1ccc(-c2nc(CN3CCC(c4cc[nH]n4)CC3)co2)cc1 ZINC000089891962 494394892 /nfs/dbraw/zinc/39/48/92/494394892.db2.gz KXEKPVFYRIGNLS-UHFFFAOYSA-N 0 0 353.382 3.353 10 5 FGBERN CCOc1ncccc1CNC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000090521611 494477282 /nfs/dbraw/zinc/47/72/82/494477282.db2.gz ZELDQZDQYPUASB-INIZCTEOSA-N 0 0 358.398 3.339 10 5 FGBERN Cc1ccc(NC(=O)C(=O)N[C@H]2CCc3cc(Cl)ccc32)cc1[N+](=O)[O-] ZINC000067431981 494540948 /nfs/dbraw/zinc/54/09/48/494540948.db2.gz RBVQEEIZSGMZHR-HNNXBMFYSA-N 0 0 373.796 3.299 10 5 FGBERN Cc1c(C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cccc1[N+](=O)[O-] ZINC000091756874 494667575 /nfs/dbraw/zinc/66/75/75/494667575.db2.gz MVIAKPXYKVNEFS-SJCJKPOMSA-N 0 0 362.332 3.130 10 5 FGBERN Cc1ccc(C(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000091763681 494670851 /nfs/dbraw/zinc/67/08/51/494670851.db2.gz GWPTZRAGKWLDBM-CXAGYDPISA-N 0 0 362.332 3.130 10 5 FGBERN O=[N+]([O-])c1ccc(OCCN2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cc1 ZINC000121276820 494679987 /nfs/dbraw/zinc/67/99/87/494679987.db2.gz UDZDNAZIXXBNKH-KBXCAEBGSA-N 0 0 364.348 3.060 10 5 FGBERN CC[C@@H](NC(=O)N1CCc2ccccc2[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000131830625 494746528 /nfs/dbraw/zinc/74/65/28/494746528.db2.gz DJPGNDFOWXGZQV-RTBURBONSA-N 0 0 369.421 3.347 10 5 FGBERN CCc1nn(C)c(NCc2cccc(NC(=O)c3ccco3)c2)c1[N+](=O)[O-] ZINC000092828384 494767511 /nfs/dbraw/zinc/76/75/11/494767511.db2.gz ULCBZCJNLPXHMP-UHFFFAOYSA-N 0 0 369.381 3.348 10 5 FGBERN CC1(C)C[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000121693641 494839082 /nfs/dbraw/zinc/83/90/82/494839082.db2.gz CBWSQNVZPWGVKU-INIZCTEOSA-N 0 0 356.378 3.392 10 5 FGBERN Cc1nn(CCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000121724454 494845471 /nfs/dbraw/zinc/84/54/71/494845471.db2.gz WDAPCFLWVUPVDY-HNNXBMFYSA-N 0 0 372.425 3.217 10 5 FGBERN CC(C)(C)c1ccc(C(=O)N2CCC[C@H](Cn3cncn3)C2)cc1[N+](=O)[O-] ZINC000127153853 494901883 /nfs/dbraw/zinc/90/18/83/494901883.db2.gz VTIXWVHJELDXGM-AWEZNQCLSA-N 0 0 371.441 3.036 10 5 FGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC(Nc2cccnn2)CC1 ZINC000094123080 494951882 /nfs/dbraw/zinc/95/18/82/494951882.db2.gz WVAJPZRZIUGQCL-UHFFFAOYSA-N 0 0 369.425 3.027 10 5 FGBERN Cc1cnn(CCNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000117815333 494957718 /nfs/dbraw/zinc/95/77/18/494957718.db2.gz HLPNYWDSQPOCNB-UHFFFAOYSA-N 0 0 365.393 3.273 10 5 FGBERN Cc1cnn(C[C@H]2CN(Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CCO2)c1 ZINC000122437159 494975119 /nfs/dbraw/zinc/97/51/19/494975119.db2.gz YVJRGAHULRLOQV-QGZVFWFLSA-N 0 0 358.442 3.124 10 5 FGBERN CS(=O)(=O)c1cccc(NC[C@H]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000122704941 495019154 /nfs/dbraw/zinc/01/91/54/495019154.db2.gz WYQQNZZCQCTSHM-ZDUSSCGKSA-N 0 0 360.435 3.215 10 5 FGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCO[C@H](c2nccs2)C1 ZINC000111415730 495072245 /nfs/dbraw/zinc/07/22/45/495072245.db2.gz POBXEJGZLFTFOG-LBPRGKRZSA-N 0 0 368.802 3.310 10 5 FGBERN COC(=O)[C@@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000123189955 495094189 /nfs/dbraw/zinc/09/41/89/495094189.db2.gz UOSRUQNUIPBJQM-CYBMUJFWSA-N 0 0 361.423 3.103 10 5 FGBERN O=C(COc1cccc([N+](=O)[O-])c1)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000128982774 495178009 /nfs/dbraw/zinc/17/80/09/495178009.db2.gz SGVZUAHEIWEJJB-OAHLLOKOSA-N 0 0 368.311 3.263 10 5 FGBERN CCOc1ccccc1CNc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000123990460 495217752 /nfs/dbraw/zinc/21/77/52/495217752.db2.gz DPBAUMDJNBWBHC-UHFFFAOYSA-N 0 0 350.396 3.009 10 5 FGBERN CCOc1ccc([C@H](C)N[C@@H]2CCCn3nc(CC)nc32)cc1[N+](=O)[O-] ZINC000154208404 495544714 /nfs/dbraw/zinc/54/47/14/495544714.db2.gz ANXJSPDBWGMIAG-GXTWGEPZSA-N 0 0 359.430 3.333 10 5 FGBERN CCc1nc(C2(NC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CCCC2)no1 ZINC000176457250 495656118 /nfs/dbraw/zinc/65/61/18/495656118.db2.gz NJJDSSNUHMMXPD-UHFFFAOYSA-N 0 0 359.386 3.440 10 5 FGBERN C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(-n2ccnc2)c1 ZINC000173916272 495745838 /nfs/dbraw/zinc/74/58/38/495745838.db2.gz LWVSRVSHZYYHBE-AWEZNQCLSA-N 0 0 350.378 3.200 10 5 FGBERN CC[C@H](NC(=O)Nc1cc(C(N)=O)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000176684873 495746268 /nfs/dbraw/zinc/74/62/68/495746268.db2.gz AMUGLYULHCTAMV-AWEZNQCLSA-N 0 0 360.345 3.106 10 5 FGBERN CC[C@@H](NC(=O)NC[C@H](O)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000176701862 495753553 /nfs/dbraw/zinc/75/35/53/495753553.db2.gz HEGILRBOEAZRDY-SJORKVTESA-N 0 0 361.373 3.218 10 5 FGBERN Cc1nc(C[C@H]2CCCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)no1 ZINC000171242567 495786480 /nfs/dbraw/zinc/78/64/80/495786480.db2.gz LZFSSJDIHLWLOS-LLVKDONJSA-N 0 0 364.789 3.035 10 5 FGBERN CC(C)c1nnc2n1C[C@H](Nc1ccc([N+](=O)[O-])c3cccnc13)CC2 ZINC000171364137 495839342 /nfs/dbraw/zinc/83/93/42/495839342.db2.gz DZURGTTVIMMIQS-GFCCVEGCSA-N 0 0 352.398 3.285 10 5 FGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCCC[C@@H]2c2nccs2)c1 ZINC000155351055 495929634 /nfs/dbraw/zinc/92/96/34/495929634.db2.gz NRLJNMWQLJIMDV-CQSZACIVSA-N 0 0 367.452 3.108 10 5 FGBERN C[C@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccccc1Br ZINC000180597572 496061285 /nfs/dbraw/zinc/06/12/85/496061285.db2.gz IQHONIJENCOGRB-VIFPVBQESA-N 0 0 364.199 3.431 10 5 FGBERN CC[C@@H](NC(=O)c1nc(-c2cnn(C)c2)oc1C)c1cccc([N+](=O)[O-])c1 ZINC000177475306 496077088 /nfs/dbraw/zinc/07/70/88/496077088.db2.gz VAQBLBMSWIZOHB-OAHLLOKOSA-N 0 0 369.381 3.173 10 5 FGBERN C[C@@H](NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1nnc2n1CCCC2 ZINC000152341891 496122469 /nfs/dbraw/zinc/12/24/69/496122469.db2.gz CZSRMMPGPXLGLU-SECBINFHSA-N 0 0 364.793 3.059 10 5 FGBERN CC[C@H](NC(=O)c1cnc(-c2cnn(C)c2)s1)c1cccc([N+](=O)[O-])c1 ZINC000177801256 496202568 /nfs/dbraw/zinc/20/25/68/496202568.db2.gz RSDVOPUXDKBCTD-AWEZNQCLSA-N 0 0 371.422 3.333 10 5 FGBERN CC[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000178058175 496308545 /nfs/dbraw/zinc/30/85/45/496308545.db2.gz PNGBUQLBHMGBLF-HNNXBMFYSA-N 0 0 361.785 3.454 10 5 FGBERN CC[C@@H](NC(=O)C(=O)Nc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000178058194 496308651 /nfs/dbraw/zinc/30/86/51/496308651.db2.gz PNGBUQLBHMGBLF-OAHLLOKOSA-N 0 0 361.785 3.454 10 5 FGBERN CCc1cccc(NC(=O)C(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)c1 ZINC000178060469 496311059 /nfs/dbraw/zinc/31/10/59/496311059.db2.gz PSARUOOXEMLPPZ-KRWDZBQOSA-N 0 0 355.394 3.363 10 5 FGBERN COc1cc(OCC(=O)N[C@H]2c3cc(C)ccc3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000181223188 496317805 /nfs/dbraw/zinc/31/78/05/496317805.db2.gz FZAHMERPBRYUJG-ZUOKHONESA-N 0 0 370.405 3.340 10 5 FGBERN CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184367784 496354812 /nfs/dbraw/zinc/35/48/12/496354812.db2.gz LJAWOQBWNAZWKY-QGZVFWFLSA-N 0 0 355.394 3.169 10 5 FGBERN CCc1nccn1[C@@H]1CCCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000185257982 496719160 /nfs/dbraw/zinc/71/91/60/496719160.db2.gz TVLVAJQGLMLHBD-DZGCQCFKSA-N 0 0 374.416 3.460 10 5 FGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccccc2Br)n1 ZINC000191465213 496772238 /nfs/dbraw/zinc/77/22/38/496772238.db2.gz NEFWLCBBRRWUQG-VIFPVBQESA-N 0 0 367.203 3.065 10 5 FGBERN Cc1noc([C@@H]2COCCN2Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000188478683 496803577 /nfs/dbraw/zinc/80/35/77/496803577.db2.gz QPTRGJZJRKQVNX-INIZCTEOSA-N 0 0 370.365 3.120 10 5 FGBERN C[C@H]1OCCC[C@H]1C(=O)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000191633527 496840312 /nfs/dbraw/zinc/84/03/12/496840312.db2.gz YFNGEIAEZRJVHN-DGCLKSJQSA-N 0 0 360.332 3.301 10 5 FGBERN CCn1cc([C@H]2CN(Cc3cc([N+](=O)[O-])ccc3Cl)CCO2)cn1 ZINC000191709535 496861611 /nfs/dbraw/zinc/86/16/11/496861611.db2.gz ILZSQJSMBVGKQF-MRXNPFEDSA-N 0 0 350.806 3.038 10 5 FGBERN CCn1cc(C2CCN([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000195500530 496940834 /nfs/dbraw/zinc/94/08/34/496940834.db2.gz MXZQMXCSSLJCGN-CQSZACIVSA-N 0 0 371.441 3.018 10 5 FGBERN COc1cc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)cc([N+](=O)[O-])c1C ZINC000189321882 497081318 /nfs/dbraw/zinc/08/13/18/497081318.db2.gz ZUTXWKJGOJFCFQ-GDBMZVCRSA-N 0 0 374.393 3.233 10 5 FGBERN O=[N+]([O-])c1cnc(N2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)s1 ZINC000192505676 497134785 /nfs/dbraw/zinc/13/47/85/497134785.db2.gz YMDHNFXCVSRMIT-WDEREUQCSA-N 0 0 359.329 3.382 10 5 FGBERN CCn1cnnc1[C@@H]1CCCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000189747462 497230757 /nfs/dbraw/zinc/23/07/57/497230757.db2.gz MYTVSPLUCWFEQC-OAHLLOKOSA-N 0 0 371.441 3.349 10 5 FGBERN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](COc2ccccc2)C1 ZINC000261457323 497413830 /nfs/dbraw/zinc/41/38/30/497413830.db2.gz QRLNKMDPJCCBCW-OAHLLOKOSA-N 0 0 369.421 3.250 10 5 FGBERN CCN(Cc1cnn(C)c1)c1cc(C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301228358 498009130 /nfs/dbraw/zinc/00/91/30/498009130.db2.gz HZEXEAQGCSGIER-UHFFFAOYSA-N 0 0 352.398 3.120 10 5 FGBERN O=c1c([N+](=O)[O-])c(N[C@H]2C[C@@H]2c2cccc(Cl)c2)nc2ccccn12 ZINC000301357567 498072391 /nfs/dbraw/zinc/07/23/91/498072391.db2.gz NLPHYCOERAYFGC-OLZOCXBDSA-N 0 0 356.769 3.224 10 5 FGBERN O=c1c(Cl)c(N2C[C@@H]3CC=CC[C@H]3C2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000301448394 498114848 /nfs/dbraw/zinc/11/48/48/498114848.db2.gz WKRSFYDRIKCZDV-STQMWFEESA-N 0 0 372.812 3.197 10 5 FGBERN CCOC(=O)c1cc([N+](=O)[O-])cc(Cl)c1I ZINC000575701003 505991075 /nfs/dbraw/zinc/99/10/75/505991075.db2.gz FZHVIGFORZHTHY-UHFFFAOYSA-N 0 0 355.515 3.030 10 5 FGBERN COC(=O)c1cc([N+](=O)[O-])c(N(C)Cc2nc(C)cs2)cc1Cl ZINC000301650242 498206562 /nfs/dbraw/zinc/20/65/62/498206562.db2.gz FUPHOIQNUNBKKC-UHFFFAOYSA-N 0 0 355.803 3.436 10 5 FGBERN CS(=O)(=O)c1cc(N[C@H]2CCc3cc(F)ccc32)ccc1[N+](=O)[O-] ZINC000301805421 498271729 /nfs/dbraw/zinc/27/17/29/498271729.db2.gz VJKBQGKGYCULDR-AWEZNQCLSA-N 0 0 350.371 3.237 10 5 FGBERN Cc1cc(N[C@@H]2CCN(C(=O)c3ccccn3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000301833950 498285118 /nfs/dbraw/zinc/28/51/18/498285118.db2.gz JZNXKXSJMOQBLF-GFCCVEGCSA-N 0 0 360.801 3.278 10 5 FGBERN O=C(c1ccc(F)cc1)[C@H]1CCCN(c2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302059842 498389209 /nfs/dbraw/zinc/38/92/09/498389209.db2.gz RRAUYCXBJJAZPC-HNNXBMFYSA-N 0 0 358.369 3.326 10 5 FGBERN C[C@H](CNc1cc(CO)ccc1[N+](=O)[O-])c1nc(-c2ccccc2)no1 ZINC000302080252 498398204 /nfs/dbraw/zinc/39/82/04/498398204.db2.gz ZXCFVLYSKAPCJZ-GFCCVEGCSA-N 0 0 354.366 3.353 10 5 FGBERN COC(=O)[C@@]12CCC[C@@H]1CN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)C2 ZINC000302203426 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COC(=O)c1cc(N[C@@H](c2nnc3ccccn32)C(C)C)ccc1[N+](=O)[O-] ZINC000301950848 498342601 /nfs/dbraw/zinc/34/26/01/498342601.db2.gz HAWDEPMETIWIDR-MRXNPFEDSA-N 0 0 369.381 3.233 10 5 FGBERN Cc1ccc(CN(C)c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1F ZINC000302657607 498525677 /nfs/dbraw/zinc/52/56/77/498525677.db2.gz DGIKCYPCCLYOFC-UHFFFAOYSA-N 0 0 358.416 3.144 10 5 FGBERN CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000302789096 498576482 /nfs/dbraw/zinc/57/64/82/498576482.db2.gz DJAUAZMMQMSTPN-LBPRGKRZSA-N 0 0 353.394 3.475 10 5 FGBERN C[C@H](COCc1ccccc1)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000390663855 499555007 /nfs/dbraw/zinc/55/50/07/499555007.db2.gz QUZDGDIBXTXOJE-CYBMUJFWSA-N 0 0 364.423 3.016 10 5 FGBERN COC(=O)/C(Br)=C/c1ccc(Br)cc1[N+](=O)[O-] ZINC000584611611 507430954 /nfs/dbraw/zinc/43/09/54/507430954.db2.gz LQQQRBMOAOGBDH-YWEYNIOJSA-N 0 0 364.977 3.266 10 5 FGBERN Cc1ccc([C@@H](C)OC(=O)CCNC(=O)c2ccsc2)cc1[N+](=O)[O-] ZINC000084809083 700362815 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10 5 FGBERN O=C(COc1cccc(Br)c1)Nc1ccccc1[N+](=O)[O-] ZINC000005772005 204224911 /nfs/dbraw/zinc/22/49/11/204224911.db2.gz HBAAKBBXTLLGCK-UHFFFAOYSA-N 0 0 351.156 3.375 10 5 FGBERN COc1ccc2oc(=O)c(C(=O)Nc3ccc([N+](=O)[O-])cc3C)cc2c1 ZINC000005925525 204230949 /nfs/dbraw/zinc/23/09/49/204230949.db2.gz BAQSNCHDPBAYOO-UHFFFAOYSA-N 0 0 354.318 3.271 10 5 FGBERN Cc1c(C(=O)Oc2cccc(C)c2)nnn1-c1ccc([N+](=O)[O-])cc1C ZINC000036639144 205019336 /nfs/dbraw/zinc/01/93/36/205019336.db2.gz CTGCMFFLDYZEKK-UHFFFAOYSA-N 0 0 352.350 3.320 10 5 FGBERN Cc1ccc(NC(=O)C(=O)N[C@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000048648023 257343472 /nfs/dbraw/zinc/34/34/72/257343472.db2.gz BLODWHGJXJDGBV-INIZCTEOSA-N 0 0 353.378 3.036 10 5 FGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248764585 257370186 /nfs/dbraw/zinc/37/01/86/257370186.db2.gz GUQPZRWEYWUVAB-UWVAXJGDSA-N 0 0 360.454 3.317 10 5 FGBERN O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000046481902 136122374 /nfs/dbraw/zinc/12/23/74/136122374.db2.gz KYKZROMIADIWAN-RTBURBONSA-N 0 0 373.453 3.369 10 5 FGBERN O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@H]2Oc1ccc([N+](=O)[O-])cc1 ZINC000035682654 494081352 /nfs/dbraw/zinc/08/13/52/494081352.db2.gz YZGRTWLCDDJVNJ-MRXNPFEDSA-N 0 0 371.393 3.016 10 5 FGBERN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000053219273 494105927 /nfs/dbraw/zinc/10/59/27/494105927.db2.gz AIWALAQXBNQUTP-MOPGFXCFSA-N 0 0 354.406 3.421 10 5 FGBERN CC[C@H](NC(=O)N[C@@H](C)C(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000090564383 494483670 /nfs/dbraw/zinc/48/36/70/494483670.db2.gz OSJJYDNOZSQQLP-GUYCJALGSA-N 0 0 370.409 3.372 10 5 FGBERN CC[C@H](NC(=O)N1CCO[C@@H](c2ccco2)C1)c1cccc([N+](=O)[O-])c1 ZINC000090684604 494492725 /nfs/dbraw/zinc/49/27/25/494492725.db2.gz HQSJMQSSEVXIHG-DOTOQJQBSA-N 0 0 359.382 3.422 10 5 FGBERN CC[C@H](NC(=O)NC[C@H](O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000090686958 494493614 /nfs/dbraw/zinc/49/36/14/494493614.db2.gz 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C[C@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccc(C(C)(C)C)cc1 ZINC000133384610 495008017 /nfs/dbraw/zinc/00/80/17/495008017.db2.gz XAFMTZDDWKUGBF-ZDUSSCGKSA-N 0 0 359.430 3.149 10 5 FGBERN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000119458737 495170770 /nfs/dbraw/zinc/17/07/70/495170770.db2.gz GTVAHTKJTAFKAY-NSHDSACASA-N 0 0 368.386 3.090 10 5 FGBERN Cc1ccc([C@@H]2CCCCN2C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])o1 ZINC000129239734 495216567 /nfs/dbraw/zinc/21/65/67/495216567.db2.gz GQYKLOZIKSAKJR-HNNXBMFYSA-N 0 0 372.377 3.441 10 5 FGBERN CC[C@H](NC(=O)Nc1cccc(-n2ccnn2)c1)c1cccc([N+](=O)[O-])c1 ZINC000130071471 495337317 /nfs/dbraw/zinc/33/73/17/495337317.db2.gz FSCNIQDIHAFFAM-KRWDZBQOSA-N 0 0 366.381 3.448 10 5 FGBERN Cc1nn(C)c(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)c1[N+](=O)[O-] ZINC000130132147 495346179 /nfs/dbraw/zinc/34/61/79/495346179.db2.gz GNPGQWQEKMBDJN-AWEZNQCLSA-N 0 0 370.409 3.203 10 5 FGBERN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000136058094 495353234 /nfs/dbraw/zinc/35/32/34/495353234.db2.gz HJBKADSRMCBXBA-QAPCUYQASA-N 0 0 358.369 3.462 10 5 FGBERN CS(=O)(=O)c1cc(N[C@H](c2nccs2)C2CC2)ccc1[N+](=O)[O-] ZINC000125542262 495460948 /nfs/dbraw/zinc/46/09/48/495460948.db2.gz BQUKQQQQLKJRHQ-ZDUSSCGKSA-N 0 0 353.425 3.018 10 5 FGBERN CCOC(=O)CCN(C(=O)c1ccc(NC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000138626801 495465695 /nfs/dbraw/zinc/46/56/95/495465695.db2.gz ILLRTURRZUEMKZ-UHFFFAOYSA-N 0 0 371.393 3.237 10 5 FGBERN CCS[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000125828077 495505154 /nfs/dbraw/zinc/50/51/54/495505154.db2.gz CDMJIBSGKZGORS-DGCLKSJQSA-N 0 0 358.485 3.475 10 5 FGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CCOc2ccccc21 ZINC000179347149 495553190 /nfs/dbraw/zinc/55/31/90/495553190.db2.gz SJMLETUYDUUKSP-QGZVFWFLSA-N 0 0 351.362 3.259 10 5 FGBERN CCO[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2OC)C12CCCC2 ZINC000150814279 495643613 /nfs/dbraw/zinc/64/36/13/495643613.db2.gz PSVUIHWOMAGMOQ-DLBZAZTESA-N 0 0 362.426 3.413 10 5 FGBERN CCOC(=O)C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1C ZINC000173816956 495705994 /nfs/dbraw/zinc/70/59/94/495705994.db2.gz STVSZOKULKBAEM-QGZVFWFLSA-N 0 0 356.378 3.328 10 5 FGBERN CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000154753887 495717413 /nfs/dbraw/zinc/71/74/13/495717413.db2.gz QQXBEBNBDFYIIT-JSGCOSHPSA-N 0 0 363.414 3.018 10 5 FGBERN CC[C@H](NC(=O)Nc1cccc(C(=O)NC)c1)c1cccc([N+](=O)[O-])c1 ZINC000176698089 495752340 /nfs/dbraw/zinc/75/23/40/495752340.db2.gz HXRJDXLRHZFPHF-INIZCTEOSA-N 0 0 356.382 3.227 10 5 FGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000159542490 495755805 /nfs/dbraw/zinc/75/58/05/495755805.db2.gz OHCFKQNALJQOOQ-CQSZACIVSA-N 0 0 374.441 3.402 10 5 FGBERN CC[C@H](NC(=O)NC[C@H](CO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000176707696 495755998 /nfs/dbraw/zinc/75/59/98/495755998.db2.gz YZIOBDANMKZMEK-AEFFLSMTSA-N 0 0 357.410 3.121 10 5 FGBERN CC[C@H](NC(=O)N1CCC[C@@H]1c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000176709027 495757403 /nfs/dbraw/zinc/75/74/03/495757403.db2.gz JPRCYNRNEOHQEU-DLBZAZTESA-N 0 0 357.414 3.326 10 5 FGBERN CCc1ccc(C(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)cc1[N+](=O)[O-] ZINC000174198902 495860687 /nfs/dbraw/zinc/86/06/87/495860687.db2.gz UXODNANOGZIUGT-INIZCTEOSA-N 0 0 356.426 3.485 10 5 FGBERN Cc1ccc(NC(=O)C(=O)N[C@H]2CCCc3cc(F)ccc32)cc1[N+](=O)[O-] ZINC000155329067 495922096 /nfs/dbraw/zinc/92/20/96/495922096.db2.gz LUTANWBHSQZGJH-INIZCTEOSA-N 0 0 371.368 3.175 10 5 FGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000161034720 496090380 /nfs/dbraw/zinc/09/03/80/496090380.db2.gz IMOSXNWLDJSPQL-HNNXBMFYSA-N 0 0 373.434 3.395 10 5 FGBERN CC[C@@H](NC(=O)N1CCC[C@@H]1Cn1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000177594228 496125785 /nfs/dbraw/zinc/12/57/85/496125785.db2.gz QTQXYKWPMWVFHP-IAGOWNOFSA-N 0 0 357.414 3.117 10 5 FGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000174885222 496148603 /nfs/dbraw/zinc/14/86/03/496148603.db2.gz QHYLSKAPXMFYIA-MJGOQNOKSA-N 0 0 354.406 3.252 10 5 FGBERN Cc1nc(C[C@@H]2CCCN(Cc3cc([N+](=O)[O-])ccc3Cl)C2)no1 ZINC000172177622 496196383 /nfs/dbraw/zinc/19/63/83/496196383.db2.gz NEFJPUWNLPDUII-LBPRGKRZSA-N 0 0 350.806 3.394 10 5 FGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN(c2nc3ccccc3o2)CC1 ZINC000172640201 496371679 /nfs/dbraw/zinc/37/16/79/496371679.db2.gz ZJKSWMFNYMKYOJ-UHFFFAOYSA-N 0 0 367.365 3.090 10 5 FGBERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)n1 ZINC000162900956 496430454 /nfs/dbraw/zinc/43/04/54/496430454.db2.gz HJKJUESGJLKHQK-HNNXBMFYSA-N 0 0 372.429 3.056 10 5 FGBERN Cc1nc(CN2CCCN(Cc3ccc(C)c([N+](=O)[O-])c3)CC2)cs1 ZINC000157237477 496435403 /nfs/dbraw/zinc/43/54/03/496435403.db2.gz FTCSMKSZXDWTFN-UHFFFAOYSA-N 0 0 360.483 3.376 10 5 FGBERN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCCC[C@H]1c1nccs1 ZINC000184618705 496466839 /nfs/dbraw/zinc/46/68/39/496466839.db2.gz HRSGJLYKVLQPQI-AWEZNQCLSA-N 0 0 367.452 3.108 10 5 FGBERN CC[C@H](NC(=O)N1CCCN(CC(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000163117582 496467628 /nfs/dbraw/zinc/46/76/28/496467628.db2.gz ZJGXQSQCHRZWCQ-HNNXBMFYSA-N 0 0 370.400 3.028 10 5 FGBERN CCc1nnc(COc2ccc(Cc3ccccc3)cc2[N+](=O)[O-])n1C ZINC000178704208 496545857 /nfs/dbraw/zinc/54/58/57/496545857.db2.gz LSVOAZMXAMQNKZ-UHFFFAOYSA-N 0 0 352.394 3.456 10 5 FGBERN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCCC[C@@H]1c1nccs1 ZINC000182225755 496713839 /nfs/dbraw/zinc/71/38/39/496713839.db2.gz OWIIPIDXBHQVIM-UKRRQHHQSA-N 0 0 363.439 3.018 10 5 FGBERN O=C([C@@H]1C[C@H]1c1ccc(F)c(F)c1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188452948 496795055 /nfs/dbraw/zinc/79/50/55/496795055.db2.gz ZCWLZISNJQVQGP-JKSUJKDBSA-N 0 0 374.343 3.266 10 5 FGBERN Cc1cc(C)c(S(=O)(=O)N[C@@H]2CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000191869908 496915495 /nfs/dbraw/zinc/91/54/95/496915495.db2.gz XVRVEFAQHAQEFL-CQSZACIVSA-N 0 0 362.407 3.014 10 5 FGBERN C[C@@H]1OCCC[C@@H]1C(=O)N(C)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000191942961 496938516 /nfs/dbraw/zinc/93/85/16/496938516.db2.gz JOKUACXOVGCBLL-RYUDHWBXSA-N 0 0 361.423 3.496 10 5 FGBERN O=[N+]([O-])c1cccc(Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000219054137 497006920 /nfs/dbraw/zinc/00/69/20/497006920.db2.gz YKLHNGMJSGZRBH-UHFFFAOYSA-N 0 0 350.199 3.112 10 5 FGBERN CN(CC(=O)OC(C)(C)C)[C@@H]1CCCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000192267725 497055958 /nfs/dbraw/zinc/05/59/58/497055958.db2.gz QNHZXVHCJZZRLW-OAHLLOKOSA-N 0 0 363.458 3.227 10 5 FGBERN Cn1cc([C@@]2(C)CN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CCO2)cn1 ZINC000268402508 497742431 /nfs/dbraw/zinc/74/24/31/497742431.db2.gz QJFQEMCFNMGIBS-OAHLLOKOSA-N 0 0 370.331 3.099 10 5 FGBERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000191325450 497780853 /nfs/dbraw/zinc/78/08/53/497780853.db2.gz PSGBXUXJFBXEER-GFCCVEGCSA-N 0 0 358.402 3.022 10 5 FGBERN Cc1cc(N[C@H]2CCc3n[nH]cc3C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301296378 498044332 /nfs/dbraw/zinc/04/43/32/498044332.db2.gz 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Cc1ccc(N(C)C2CCN(c3cc(C)nc(C)n3)CC2)c([N+](=O)[O-])c1 ZINC000301827301 498282749 /nfs/dbraw/zinc/28/27/49/498282749.db2.gz PPBAORYHMKCQEF-UHFFFAOYSA-N 0 0 355.442 3.415 10 5 FGBERN COC(=O)c1cc(N2C[C@H](C)OC[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000301944184 498339771 /nfs/dbraw/zinc/33/97/71/498339771.db2.gz AAKITQOVVVLRFZ-SCLBCKFNSA-N 0 0 356.378 3.348 10 5 FGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000302647696 498523010 /nfs/dbraw/zinc/52/30/10/498523010.db2.gz FXMVSSWAFRFLNO-ZDUSSCGKSA-N 0 0 361.833 3.452 10 5 FGBERN CCn1cc([C@H]2CN(c3c(C)cc([N+](=O)[O-])cc3Cl)CCO2)cn1 ZINC000302815307 498586036 /nfs/dbraw/zinc/58/60/36/498586036.db2.gz IANPWXPYPDHHIC-OAHLLOKOSA-N 0 0 350.806 3.351 10 5 FGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCCN(Cc2cnn(C)c2)CC1 ZINC000302837926 498597406 /nfs/dbraw/zinc/59/74/06/498597406.db2.gz YBQJQTBWGPDIBC-UHFFFAOYSA-N 0 0 363.849 3.002 10 5 FGBERN O=C(N[C@H]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1)c1ccccc1 ZINC000584661310 507437370 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PFKBZLHHQOBFKL-UHFFFAOYSA-N 0 0 357.050 3.003 10 5 FGBERN CCOc1c(I)ccc([N+](=O)[O-])c1OC(F)F ZINC000575658667 505988965 /nfs/dbraw/zinc/98/89/65/505988965.db2.gz WBLZDBDXHLDLCM-UHFFFAOYSA-N 0 0 359.066 3.200 10 5 FGBERN COC(=O)c1cc(N2C[C@H](C)O[C@@H](c3ccsc3)C2)ccc1[N+](=O)[O-] ZINC000301618827 498190622 /nfs/dbraw/zinc/19/06/22/498190622.db2.gz DFVGJCVZKJHVRV-MEDUHNTESA-N 0 0 362.407 3.409 10 5 FGBERN CC1(C)C[C@H](Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])c2ccccc2O1 ZINC000301690560 498226160 /nfs/dbraw/zinc/22/61/60/498226160.db2.gz YHVNCHQVKUJMQR-ZDUSSCGKSA-N 0 0 366.377 3.317 10 5 FGBERN COc1cc(N[C@H](C)c2cn(-c3ccccc3)nn2)c([N+](=O)[O-])cc1F ZINC000301694202 498227024 /nfs/dbraw/zinc/22/70/24/498227024.db2.gz ZUFNBWCESJTFRY-LLVKDONJSA-N 0 0 357.345 3.496 10 5 FGBERN Cc1cccc(NC(=O)[C@@H]2CCCN(c3cc(F)ccc3[N+](=O)[O-])C2)n1 ZINC000302816428 498586725 /nfs/dbraw/zinc/58/67/25/498586725.db2.gz LRDVJWCLMYMXED-CYBMUJFWSA-N 0 0 358.373 3.292 10 5 FGBERN Cc1cccc(NC(=O)[C@H]2CCCN(c3cc(F)ccc3[N+](=O)[O-])C2)n1 ZINC000302816430 498586806 /nfs/dbraw/zinc/58/68/06/498586806.db2.gz LRDVJWCLMYMXED-ZDUSSCGKSA-N 0 0 358.373 3.292 10 5 FGBERN O=C(CN1CCC(Nc2cc(F)ccc2[N+](=O)[O-])CC1)Nc1ccccc1 ZINC000302858659 498602624 /nfs/dbraw/zinc/60/26/24/498602624.db2.gz NQIVBXCCNGFVEV-UHFFFAOYSA-N 0 0 372.400 3.249 10 5 FGBERN O=[N+]([O-])c1ccccc1C=CCNCc1nc(COc2ccccc2)n[nH]1 ZINC000472074813 502221342 /nfs/dbraw/zinc/22/13/42/502221342.db2.gz PGRDMXYJXQNLLF-VURMDHGXSA-N 0 0 365.393 3.095 10 5 FGBERN CCCCCNC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000050080944 695900283 /nfs/dbraw/zinc/90/02/83/695900283.db2.gz YHIFYRDOMNJBIW-OAHLLOKOSA-N 0 0 369.849 3.309 10 5 FGBERN Cc1ccc([C@@H](C)OC(=O)CCCNC(=O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000084808688 700362789 /nfs/dbraw/zinc/36/27/89/700362789.db2.gz RHYRNBBPKCELBS-CYBMUJFWSA-N 0 0 350.415 3.450 10 5 FGBERN C[C@H]1CN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CCS1 ZINC000155145288 705065445 /nfs/dbraw/zinc/06/54/45/705065445.db2.gz FXKPLKIWIPVCCC-QMMMGPOBSA-N 0 0 360.233 3.327 10 5 FGBERN CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000173926641 705477720 /nfs/dbraw/zinc/47/77/20/705477720.db2.gz ZFSHWEUHGUJOSO-WDEREUQCSA-N 0 0 369.443 3.080 10 5 FGBERN C[C@@H](O)c1cccc(OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000178214036 705658292 /nfs/dbraw/zinc/65/82/92/705658292.db2.gz CZVPEGPMGRGOMP-SNVBAGLBSA-N 0 0 350.758 3.319 10 5 FGBERN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@H]1CCCc2ccccc21 ZINC000194331280 713518808 /nfs/dbraw/zinc/51/88/08/713518808.db2.gz SALWFTOUZCAVEW-AWEZNQCLSA-N 0 0 350.371 3.090 10 5 FGBERN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)c1cccc(Br)c1 ZINC000195135457 713546682 /nfs/dbraw/zinc/54/66/82/713546682.db2.gz PEGLCJLFBGJKSH-SECBINFHSA-N 0 0 364.199 3.431 10 5 FGBERN O=[N+]([O-])c1ccc(F)cc1CN1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246853819 713631843 /nfs/dbraw/zinc/63/18/43/713631843.db2.gz VRWSWWHPENCKDP-DYVFJYSZSA-N 0 0 352.312 3.320 10 5 FGBERN O=[N+]([O-])c1ccc2c(c1)CCN2C(=S)N[C@@H]1C[C@H]2C[C@@H]1[C@@H]1C=CC[C@@H]21 ZINC000013467834 204531573 /nfs/dbraw/zinc/53/15/73/204531573.db2.gz WUNPKLOXXFBLCB-GWZLXJJCSA-N 0 0 355.463 3.433 10 5 FGBERN CC(C)(C)OC(=O)Cc1cc(I)ccc1[N+](=O)[O-] ZINC000038298591 205039526 /nfs/dbraw/zinc/03/95/26/205039526.db2.gz KMTGGJKKTTZZFP-UHFFFAOYSA-N 0 0 363.151 3.084 10 5 FGBERN Cc1cccc(OCC(=O)N2CCN=Cc3cc([N+](=O)[O-])ccc32)c1C ZINC000073642449 205032086 /nfs/dbraw/zinc/03/20/86/205032086.db2.gz SRTDMURDAVPOML-UHFFFAOYSA-N 0 0 353.378 3.056 10 5 FGBERN COc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc([N+](=O)[O-])cc1C)cn2C ZINC000041056582 205088023 /nfs/dbraw/zinc/08/80/23/205088023.db2.gz MPDVKZVTHQQYLY-UHFFFAOYSA-N 0 0 367.361 3.016 10 5 FGBERN COCCNc1ncnc(Nc2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000040588805 205073421 /nfs/dbraw/zinc/07/34/21/205073421.db2.gz RGJWZAILBAFMEK-UHFFFAOYSA-N 0 0 357.292 3.206 10 5 FGBERN COCCNc1ncnc(Nc2cccc(Cl)c2Cl)c1[N+](=O)[O-] ZINC000040646699 205074286 /nfs/dbraw/zinc/07/42/86/205074286.db2.gz MFHRRRZUKBYVKK-UHFFFAOYSA-N 0 0 358.185 3.494 10 5 FGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000109487497 206059183 /nfs/dbraw/zinc/05/91/83/206059183.db2.gz BRWUMQHCCSELRG-VIFPVBQESA-N 0 0 354.769 3.160 10 5 FGBERN Cc1c(C(=O)N2CCC[C@H]2CNC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000081341894 493875059 /nfs/dbraw/zinc/87/50/59/493875059.db2.gz LIDZMRKMRUYZMF-ZDUSSCGKSA-N 0 0 363.414 3.033 10 5 FGBERN Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000041271276 494154509 /nfs/dbraw/zinc/15/45/09/494154509.db2.gz WRZDCCVXITYZAO-WDEREUQCSA-N 0 0 373.331 3.079 10 5 FGBERN COC(=O)C[C@H](NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000043148175 494270576 /nfs/dbraw/zinc/27/05/76/494270576.db2.gz JIUCZROREBAGOV-HNNXBMFYSA-N 0 0 357.366 3.329 10 5 FGBERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000015118741 494340215 /nfs/dbraw/zinc/34/02/15/494340215.db2.gz GONZPRLFZQXHQB-SNVBAGLBSA-N 0 0 365.367 3.080 10 5 FGBERN CCCC(=O)N[C@@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089892358 494394779 /nfs/dbraw/zinc/39/47/79/494394779.db2.gz HMYDTUGKYVPLIY-OAHLLOKOSA-N 0 0 372.425 3.131 10 5 FGBERN CC[C@H](NC(=O)N(CCCO)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090686689 494493765 /nfs/dbraw/zinc/49/37/65/494493765.db2.gz YJCSDMAGLAYKCJ-INIZCTEOSA-N 0 0 351.447 3.486 10 5 FGBERN Cc1c(NC(=O)C(=O)N[C@@H]2CCc3cc(Cl)ccc32)cccc1[N+](=O)[O-] ZINC000067431399 494540911 /nfs/dbraw/zinc/54/09/11/494540911.db2.gz WFBDWLCFLNYKSY-OAHLLOKOSA-N 0 0 373.796 3.299 10 5 FGBERN Cc1cc(C(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cc([N+](=O)[O-])c1 ZINC000091775594 494675254 /nfs/dbraw/zinc/67/52/54/494675254.db2.gz GTFNVJNURCTBEK-RHSMWYFYSA-N 0 0 362.332 3.130 10 5 FGBERN Cc1nc(C)n(C[C@@H]2CCCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC000116278475 494750988 /nfs/dbraw/zinc/75/09/88/494750988.db2.gz ABFPFZARIDIVQT-CQSZACIVSA-N 0 0 363.849 3.369 10 5 FGBERN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H]1c1ccco1 ZINC000116453698 494789996 /nfs/dbraw/zinc/78/99/96/494789996.db2.gz OBQCZJDPNBMNFL-HNNXBMFYSA-N 0 0 353.334 3.007 10 5 FGBERN C[C@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C[C@@H]1N1CCOCC1 ZINC000126596893 494798069 /nfs/dbraw/zinc/79/80/69/494798069.db2.gz IREOEIZIDGLCLK-HZMBPMFUSA-N 0 0 360.241 3.059 10 5 FGBERN Cc1nc(CN2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3C)CC2)cs1 ZINC000109651534 494900818 /nfs/dbraw/zinc/90/08/18/494900818.db2.gz SEXOSEWGUIKFEY-UHFFFAOYSA-N 0 0 374.466 3.016 10 5 FGBERN Cc1cnn([C@@H]2CCCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)C2)c1 ZINC000109687488 494908662 /nfs/dbraw/zinc/90/86/62/494908662.db2.gz WCXLXAHNFMKLGY-MRXNPFEDSA-N 0 0 369.425 3.151 10 5 FGBERN CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1ncccc1[N+](=O)[O-] ZINC000095075548 494958896 /nfs/dbraw/zinc/95/88/96/494958896.db2.gz BHRCYDHBMRQYMB-UHFFFAOYSA-N 0 0 350.419 3.073 10 5 FGBERN CC(C)(C)OC(=O)N1CC[C@@H](CNc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000095083893 494958943 /nfs/dbraw/zinc/95/89/43/494958943.db2.gz WSUMKJWGXBRXFD-NSHDSACASA-N 0 0 362.386 3.405 10 5 FGBERN CC(C)(C)OC(=O)N1CCC(Oc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000095083561 494958953 /nfs/dbraw/zinc/95/89/53/494958953.db2.gz IJEQYESEPBRDLC-UHFFFAOYSA-N 0 0 362.386 3.249 10 5 FGBERN CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000095087093 494959962 /nfs/dbraw/zinc/95/99/62/494959962.db2.gz YJAAIKLMAFIYGI-LLVKDONJSA-N 0 0 362.386 3.230 10 5 FGBERN O=[N+]([O-])c1cccc(-c2nc(CN3CCC[C@H](n4cncn4)C3)cs2)c1 ZINC000119482076 495175102 /nfs/dbraw/zinc/17/51/02/495175102.db2.gz RVGCZRLGKWDAOJ-INIZCTEOSA-N 0 0 370.438 3.147 10 5 FGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000120162052 495318378 /nfs/dbraw/zinc/31/83/78/495318378.db2.gz ODGYVMZHVCCEAG-GFCCVEGCSA-N 0 0 358.402 3.022 10 5 FGBERN CS(=O)(=O)c1cc(N2CC[C@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000125481778 495451270 /nfs/dbraw/zinc/45/12/70/495451270.db2.gz UTGXBOCAEUOJFQ-OAHLLOKOSA-N 0 0 360.435 3.067 10 5 FGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H]1CCCc2ccccc21 ZINC000120812268 495463097 /nfs/dbraw/zinc/46/30/97/495463097.db2.gz INOBASRYENCDQZ-INIZCTEOSA-N 0 0 367.405 3.344 10 5 FGBERN CCS[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000125899245 495515710 /nfs/dbraw/zinc/51/57/10/495515710.db2.gz CQBJIJOUWMKUST-TZMCWYRMSA-N 0 0 358.485 3.475 10 5 FGBERN CCOc1ccc([C@@H](C)N[C@H]2CCCn3nc(CC)nc32)cc1[N+](=O)[O-] ZINC000154208514 495545875 /nfs/dbraw/zinc/54/58/75/495545875.db2.gz ANXJSPDBWGMIAG-OCCSQVGLSA-N 0 0 359.430 3.333 10 5 FGBERN CC(C)C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1nc(-c2nc[nH]n2)no1 ZINC000179808583 495743144 /nfs/dbraw/zinc/74/31/44/495743144.db2.gz NRHDDMPBCVIKIT-FZMZJTMJSA-N 0 0 371.401 3.201 10 5 FGBERN CC[C@@H](NC(=O)N1CCC(c2cc[nH]n2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000176691226 495749304 /nfs/dbraw/zinc/74/93/04/495749304.db2.gz AMGHSRIMJICLSR-MRXNPFEDSA-N 0 0 357.414 3.358 10 5 FGBERN CC[C@@H](NC(=O)NC[C@](C)(O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000176707210 495756217 /nfs/dbraw/zinc/75/62/17/495756217.db2.gz KEAPYDNSOOUJJR-PBHICJAKSA-N 0 0 363.439 3.314 10 5 FGBERN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000159701818 495791095 /nfs/dbraw/zinc/79/10/95/495791095.db2.gz MPTQYSPIPZBQER-ZDUSSCGKSA-N 0 0 360.414 3.012 10 5 FGBERN Cc1nc(C[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)no1 ZINC000171337003 495826819 /nfs/dbraw/zinc/82/68/19/495826819.db2.gz KIDOBRUJSILAAE-NSHDSACASA-N 0 0 364.789 3.035 10 5 FGBERN CCc1n[nH]c(C(=O)N[C@@H](C)c2ccccc2Br)c1[N+](=O)[O-] ZINC000171368112 495840478 /nfs/dbraw/zinc/84/04/78/495840478.db2.gz ISTDFDPNNRIRHA-QMMMGPOBSA-N 0 0 367.203 3.134 10 5 FGBERN Cc1nc(C[C@H]2CCCN(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)C2)no1 ZINC000171575422 495932520 /nfs/dbraw/zinc/93/25/20/495932520.db2.gz HBJUYHCRRTXFGE-CYBMUJFWSA-N 0 0 359.386 3.081 10 5 FGBERN CCn1cnnc1[C@@H]1CCCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000180701076 496110273 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3.363 10 5 FGBERN CC[C@@H](NC(=O)COCCOc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000177795622 496200286 /nfs/dbraw/zinc/20/02/86/496200286.db2.gz ZEROINLNGRMWKP-GOSISDBHSA-N 0 0 358.394 3.258 10 5 FGBERN Cc1ccc2c(c1)O[C@@H](C)CN2S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000175035740 496219440 /nfs/dbraw/zinc/21/94/40/496219440.db2.gz DGFDQKHABUPBDJ-NSHDSACASA-N 0 0 366.370 3.019 10 5 FGBERN CC[C@H](NC(=O)C(=O)Nc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000178053789 496306232 /nfs/dbraw/zinc/30/62/32/496306232.db2.gz AUDIRVATBIXDLK-HNNXBMFYSA-N 0 0 363.320 3.079 10 5 FGBERN Cn1cc([C@H]2CCCN2C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000172496934 496317114 /nfs/dbraw/zinc/31/71/14/496317114.db2.gz IKWMGNHTVNEHBQ-GOSISDBHSA-N 0 0 371.441 3.198 10 5 FGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nccs2)c(F)c1 ZINC000175383981 496366167 /nfs/dbraw/zinc/36/61/67/496366167.db2.gz NOEGZTOFUQTRFT-GFCCVEGCSA-N 0 0 371.415 3.106 10 5 FGBERN Cc1cc(S(=O)(=O)N2CCCC[C@H]2c2nccs2)ccc1[N+](=O)[O-] ZINC000175384958 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ZINC000150921244 495681436 /nfs/dbraw/zinc/68/14/36/495681436.db2.gz JMVURZNURIGBJX-AWEZNQCLSA-N 0 0 354.284 3.204 10 5 FGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2ccnn2C)CC1 ZINC000182781079 495700415 /nfs/dbraw/zinc/70/04/15/495700415.db2.gz QODCUVZIORTCFO-BUHFOSPRSA-N 0 0 354.410 3.138 10 5 FGBERN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000159701963 495790378 /nfs/dbraw/zinc/79/03/78/495790378.db2.gz MPTQYSPIPZBQER-CYBMUJFWSA-N 0 0 360.414 3.012 10 5 FGBERN CCCc1n[nH]c(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c1[N+](=O)[O-] ZINC000159935173 495845823 /nfs/dbraw/zinc/84/58/23/495845823.db2.gz GXFYUFUMLRDBSR-CYBMUJFWSA-N 0 0 358.398 3.303 10 5 FGBERN O=[N+]([O-])c1ccc2nc(N3C[C@@H](c4ccsc4)[C@H](CO)C3)ccc2c1 ZINC000186149565 495874141 /nfs/dbraw/zinc/87/41/41/495874141.db2.gz OOBIPFNTDCOCCV-HOCLYGCPSA-N 0 0 355.419 3.417 10 5 FGBERN CC[C@@H](NC(=O)C[C@@H](C)NC(=O)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000177792671 496198572 /nfs/dbraw/zinc/19/85/72/496198572.db2.gz 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O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCCC[C@@H]2c2nccs2)cc1 ZINC000175382149 496366059 /nfs/dbraw/zinc/36/60/59/496366059.db2.gz WPNXIVRIFSDGIP-CQSZACIVSA-N 0 0 367.452 3.108 10 5 FGBERN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCCC[C@H]1c1nccs1 ZINC000175385348 496367302 /nfs/dbraw/zinc/36/73/02/496367302.db2.gz FZJQXYMWQRGVIY-NSHDSACASA-N 0 0 371.415 3.106 10 5 FGBERN C[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)c1c(Cl)ccc(F)c1Cl ZINC000163089652 496462764 /nfs/dbraw/zinc/46/27/64/496462764.db2.gz PWFZCSSTOWOSGO-ZCFIWIBFSA-N 0 0 361.160 3.265 10 5 FGBERN O=[N+]([O-])c1ccc(-c2nc(CN3CCC(Cn4cccn4)CC3)co2)cc1 ZINC000153573922 496503128 /nfs/dbraw/zinc/50/31/28/496503128.db2.gz VLSKPODLRIZBRS-UHFFFAOYSA-N 0 0 367.409 3.359 10 5 FGBERN CC[C@@H](NC(=O)NCCCNc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000175841606 496569226 /nfs/dbraw/zinc/56/92/26/496569226.db2.gz YZXKRRIDKWFBMB-MRXNPFEDSA-N 0 0 357.414 3.242 10 5 FGBERN C[C@H](CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000176000982 496638378 /nfs/dbraw/zinc/63/83/78/496638378.db2.gz AXUNRKIYLWHTKL-SNVBAGLBSA-N 0 0 371.821 3.281 10 5 FGBERN Cc1csc([C@@H]2CCCN(C(=O)COc3ccccc3[N+](=O)[O-])C2)n1 ZINC000173417633 496684134 /nfs/dbraw/zinc/68/41/34/496684134.db2.gz CSGUFKABCUAWHY-CYBMUJFWSA-N 0 0 361.423 3.145 10 5 FGBERN CCn1cc(C2CCN(C(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)CC2)cn1 ZINC000185260171 496719709 /nfs/dbraw/zinc/71/97/09/496719709.db2.gz FJCHMRRZDCVLNO-CYBMUJFWSA-N 0 0 374.416 3.460 10 5 FGBERN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(c2cc[nH]n2)CC1 ZINC000195505782 496944826 /nfs/dbraw/zinc/94/48/26/496944826.db2.gz LZLUMTONYFFGNE-LBPRGKRZSA-N 0 0 368.397 3.309 10 5 FGBERN COCc1nc2n(n1)CCC[C@@H]2Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000268352941 497731880 /nfs/dbraw/zinc/73/18/80/497731880.db2.gz ACLYRHMTLYYMGR-NSHDSACASA-N 0 0 371.319 3.299 10 5 FGBERN Cc1cc(N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000263565977 497800521 /nfs/dbraw/zinc/80/05/21/497800521.db2.gz 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498203703 /nfs/dbraw/zinc/20/37/03/498203703.db2.gz CTFZBRRTDGNDRO-INIZCTEOSA-N 0 0 368.773 3.256 10 5 FGBERN COC(=O)c1cc(N2CCO[C@]3(CCc4ccccc43)C2)ccc1[N+](=O)[O-] ZINC000301758101 498253915 /nfs/dbraw/zinc/25/39/15/498253915.db2.gz BATDERIZYZZLAR-HXUWFJFHSA-N 0 0 368.389 3.060 10 5 FGBERN O=[N+]([O-])c1ccc(CO)cc1NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000302021552 498371758 /nfs/dbraw/zinc/37/17/58/498371758.db2.gz FPBYJAYBJIDRRI-UHFFFAOYSA-N 0 0 374.784 3.445 10 5 FGBERN COc1ccccc1N1CCC[C@H](Nc2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302028759 498374016 /nfs/dbraw/zinc/37/40/16/498374016.db2.gz JDMTVRKEGKWJMR-HNNXBMFYSA-N 0 0 357.410 3.177 10 5 FGBERN COC(=O)[C@]12CCC[C@H]1CN(c1cc(C)nc3c1cccc3[N+](=O)[O-])C2 ZINC000302063073 498390492 /nfs/dbraw/zinc/39/04/92/498390492.db2.gz AATRKNCLTJSKRQ-DJJJIMSYSA-N 0 0 355.394 3.231 10 5 FGBERN COC(=O)[C@@]12CCC[C@@H]1CN(c1cc(C)nc3c1cccc3[N+](=O)[O-])C2 ZINC000302063072 498390506 /nfs/dbraw/zinc/39/05/06/498390506.db2.gz AATRKNCLTJSKRQ-BFUOFWGJSA-N 0 0 355.394 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COc1ccc([C@@H](C)NC(=O)CCc2cccc([N+](=O)[O-])c2)cc1OC ZINC000087068842 494169577 /nfs/dbraw/zinc/16/95/77/494169577.db2.gz YXMXXUSRFIWDAV-CYBMUJFWSA-N 0 0 358.394 3.422 10 5 FGBERN CNS(=O)(=O)c1ccc(N[C@@H](C)c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000015172063 494341987 /nfs/dbraw/zinc/34/19/87/494341987.db2.gz KBPSXHOYRSBPQZ-JTQLQIEISA-N 0 0 369.830 3.329 10 5 FGBERN CC[C@H](NC(=O)c1ccc(N2CCCC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000090466568 494470330 /nfs/dbraw/zinc/47/03/30/494470330.db2.gz GWYDXBYGQDKVPM-KRWDZBQOSA-N 0 0 354.410 3.471 10 5 FGBERN CC[C@H](NC(=O)NCC(C)(C)[C@H](O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090688126 494493589 /nfs/dbraw/zinc/49/35/89/494493589.db2.gz JRODQZKWYUWBNN-JKSUJKDBSA-N 0 0 351.447 3.388 10 5 FGBERN C[C@@H](NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000056366299 494494825 /nfs/dbraw/zinc/49/48/25/494494825.db2.gz NGSJYGHSOCTKBO-QWHCGFSZSA-N 0 0 371.393 3.487 10 5 FGBERN C[C@@H](NC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000056366297 494494931 /nfs/dbraw/zinc/49/49/31/494494931.db2.gz NGSJYGHSOCTKBO-OLZOCXBDSA-N 0 0 371.393 3.487 10 5 FGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000067431994 494540876 /nfs/dbraw/zinc/54/08/76/494540876.db2.gz VDUOBDUUYFDUAY-HNNXBMFYSA-N 0 0 373.796 3.299 10 5 FGBERN COc1ccc([C@@H](C)NC(=O)NCc2cccc([N+](=O)[O-])c2)cc1OC ZINC000067722729 494625778 /nfs/dbraw/zinc/62/57/78/494625778.db2.gz QSZYJGZCAJNZMH-GFCCVEGCSA-N 0 0 359.382 3.172 10 5 FGBERN CCc1nccn1[C@@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000121168738 494627929 /nfs/dbraw/zinc/62/79/29/494627929.db2.gz KCKIZVKMIRYCOY-MRXNPFEDSA-N 0 0 356.426 3.068 10 5 FGBERN CN(c1ccc([N+](=O)[O-])c2cnccc21)[C@H]1CCCN(c2cccnn2)C1 ZINC000108946383 494808723 /nfs/dbraw/zinc/80/87/23/494808723.db2.gz ANECYXFAFMDXRD-AWEZNQCLSA-N 0 0 364.409 3.038 10 5 FGBERN Cc1ccc([C@H](C)OC(=O)c2csc(S(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000122048456 494915404 /nfs/dbraw/zinc/91/54/04/494915404.db2.gz 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O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000136057987 495352793 /nfs/dbraw/zinc/35/27/93/495352793.db2.gz HJBKADSRMCBXBA-MAUKXSAKSA-N 0 0 358.369 3.462 10 5 FGBERN CC(C)c1nc2c(n1C)CCN(CCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000106374024 495450758 /nfs/dbraw/zinc/45/07/58/495450758.db2.gz GZNKQLFWZIVPPA-UHFFFAOYSA-N 0 0 358.442 3.279 10 5 FGBERN CC[C@H](NC(=O)N1CCC[C@@H](c2cc[nH]n2)C1)c1cccc([N+](=O)[O-])c1 ZINC000176687216 495747614 /nfs/dbraw/zinc/74/76/14/495747614.db2.gz NNXFZSLFMYSXQQ-ZBFHGGJFSA-N 0 0 357.414 3.358 10 5 FGBERN CC[C@@H](NC(=O)N1CCC(c2ccnn2C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000176696555 495751935 /nfs/dbraw/zinc/75/19/35/495751935.db2.gz GDMSAVUIZFLERQ-QGZVFWFLSA-N 0 0 371.441 3.369 10 5 FGBERN CC(C)c1nnc2n1C[C@@H](Nc1ccc([N+](=O)[O-])c3cccnc13)CC2 ZINC000171364144 495839761 /nfs/dbraw/zinc/83/97/61/495839761.db2.gz DZURGTTVIMMIQS-LBPRGKRZSA-N 0 0 352.398 3.285 10 5 FGBERN O=[N+]([O-])c1ccc2oc(CN3CC[C@H](CNc4ccccn4)C3)nc2c1 ZINC000177034609 495892559 /nfs/dbraw/zinc/89/25/59/495892559.db2.gz MOUDHSOBAHLZSL-CYBMUJFWSA-N 0 0 353.382 3.065 10 5 FGBERN Cc1ccc2c(c1)O[C@H](C)CN2S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000155456288 495962400 /nfs/dbraw/zinc/96/24/00/495962400.db2.gz ZQKSKHVNKPQMNL-CYBMUJFWSA-N 0 0 362.407 3.021 10 5 FGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000151857307 495971372 /nfs/dbraw/zinc/97/13/72/495971372.db2.gz LFVVGCMOWYZVBU-BDJLRTHQSA-N 0 0 353.806 3.407 10 5 FGBERN CC(C)CCOc1ccc([C@H](C)NC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000155530244 495985827 /nfs/dbraw/zinc/98/58/27/495985827.db2.gz QHRPRBIIEFPIFF-AWEZNQCLSA-N 0 0 360.414 3.094 10 5 FGBERN O=[N+]([O-])c1ccc(N2CC[C@@]3(O)CCCC[C@@H]3C2)c(Br)c1 ZINC000160667723 496015825 /nfs/dbraw/zinc/01/58/25/496015825.db2.gz SBJDDUXOGSUBHD-ABAIWWIYSA-N 0 0 355.232 3.489 10 5 FGBERN Cc1ccc2c(c1)N(S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O2 ZINC000177596679 496125619 /nfs/dbraw/zinc/12/56/19/496125619.db2.gz PFSHJFHWPRAGSN-CYBMUJFWSA-N 0 0 362.407 3.021 10 5 FGBERN CC[C@@H](NC(=O)CCCc1nc(C2CC2)no1)c1cccc([N+](=O)[O-])c1 ZINC000177789033 496196860 /nfs/dbraw/zinc/19/68/60/496196860.db2.gz MIMFBCDVXBBOGL-OAHLLOKOSA-N 0 0 358.398 3.445 10 5 FGBERN Cc1ccc([C@@H](C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000177855244 496224394 /nfs/dbraw/zinc/22/43/94/496224394.db2.gz RCAJCJKSUHNHGY-KDOFPFPSSA-N 0 0 363.458 3.267 10 5 FGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000162049492 496286589 /nfs/dbraw/zinc/28/65/89/496286589.db2.gz OTWMAVXHIUXBEK-XJKSGUPXSA-N 0 0 363.320 3.213 10 5 FGBERN CC[C@@H](NC(=O)C(=O)Nc1ccc(C)c(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000178055833 496307278 /nfs/dbraw/zinc/30/72/78/496307278.db2.gz IJPAKDJAYJOAPK-QGZVFWFLSA-N 0 0 355.394 3.418 10 5 FGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nccs2)s1 ZINC000175385991 496367193 /nfs/dbraw/zinc/36/71/93/496367193.db2.gz CPKRGPRQBBKKNE-SECBINFHSA-N 0 0 359.454 3.029 10 5 FGBERN CCc1nc(C2(NC(=O)Nc3ccc([N+](=O)[O-])cc3C)CCCC2)no1 ZINC000162672636 496393149 /nfs/dbraw/zinc/39/31/49/496393149.db2.gz ZEPVGSYYTIFSQM-UHFFFAOYSA-N 0 0 359.386 3.440 10 5 FGBERN CC[C@H](NC(=O)c1cnc2ccccc2c1O)c1cccc([N+](=O)[O-])c1 ZINC000175456388 496399563 /nfs/dbraw/zinc/39/95/63/496399563.db2.gz QMTZNCWDLIGICJ-INIZCTEOSA-N 0 0 351.362 3.317 10 5 FGBERN CN(c1cccnn1)C1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000153794203 496581788 /nfs/dbraw/zinc/58/17/88/496581788.db2.gz YAYDZNPJFBPTDP-UHFFFAOYSA-N 0 0 361.833 3.139 10 5 FGBERN C[C@H](C(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000184919229 496585316 /nfs/dbraw/zinc/58/53/16/496585316.db2.gz AUXXSXZHPWSEKL-QWRGUYRKSA-N 0 0 354.378 3.026 10 5 FGBERN CC[C@H](NC(=O)c1cnc(C(F)(F)F)nc1)c1cccc([N+](=O)[O-])c1 ZINC000158074815 496621784 /nfs/dbraw/zinc/62/17/84/496621784.db2.gz RMDKPSNEIVQUFZ-LBPRGKRZSA-N 0 0 354.288 3.285 10 5 FGBERN C[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)c1cccc(-n2ccnc2)c1 ZINC000175974356 496625479 /nfs/dbraw/zinc/62/54/79/496625479.db2.gz JWVSHQMYDIQLCC-AWEZNQCLSA-N 0 0 365.393 3.341 10 5 FGBERN COc1cc(C(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)cc([N+](=O)[O-])c1C ZINC000191343004 496731956 /nfs/dbraw/zinc/73/19/56/496731956.db2.gz XLULQAQGJNQFOI-OAHLLOKOSA-N 0 0 372.425 3.239 10 5 FGBERN Cc1noc([C@@H]2COCCN2Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)n1 ZINC000188480852 496804681 /nfs/dbraw/zinc/80/46/81/496804681.db2.gz MXIJXWWTGPSTJM-INIZCTEOSA-N 0 0 370.365 3.120 10 5 FGBERN CC(C)c1nnc2n1C[C@H](Nc1ccc([N+](=O)[O-])c3cnccc13)CC2 ZINC000195315042 496885918 /nfs/dbraw/zinc/88/59/18/496885918.db2.gz FNBZUKFIJAXPNA-GFCCVEGCSA-N 0 0 352.398 3.285 10 5 FGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@H]1c1ccco1 ZINC000247576493 496891846 /nfs/dbraw/zinc/89/18/46/496891846.db2.gz XRBUKJYGRLKIAG-DOMZBBRYSA-N 0 0 359.382 3.361 10 5 FGBERN CCn1cc([C@H]2CN(C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CCO2)cn1 ZINC000192318442 497072871 /nfs/dbraw/zinc/07/28/71/497072871.db2.gz GREWTDWIFLOKHO-MRXNPFEDSA-N 0 0 373.413 3.033 10 5 FGBERN Cc1ccc([C@H]2CCCCN2C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000190221719 497405361 /nfs/dbraw/zinc/40/53/61/497405361.db2.gz GFOZDGIUVMRIAC-OAHLLOKOSA-N 0 0 357.366 3.189 10 5 FGBERN COC(=O)c1cc(NCCNc2ccc3ccccc3n2)ccc1[N+](=O)[O-] ZINC000301220909 498005289 /nfs/dbraw/zinc/00/52/89/498005289.db2.gz BQBLWDWHSNNJPX-UHFFFAOYSA-N 0 0 366.377 3.454 10 5 FGBERN C[C@H](Cc1cccs1)N(C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000301497145 498136433 /nfs/dbraw/zinc/13/64/33/498136433.db2.gz UNFNUHOUGOIXGG-LLVKDONJSA-N 0 0 354.453 3.127 10 5 FGBERN CCS[C@@H]1CC[C@@]1(O)CNc1cc(C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301499576 498137777 /nfs/dbraw/zinc/13/77/77/498137777.db2.gz WGACWTOUALWPRP-CRAIPNDOSA-N 0 0 374.466 3.419 10 5 FGBERN CC(=O)c1cc(OC(F)F)c(I)c([N+](=O)[O-])c1 ZINC000575663621 505988511 /nfs/dbraw/zinc/98/85/11/505988511.db2.gz DNGGHYARMXLDPN-UHFFFAOYSA-N 0 0 357.050 3.003 10 5 FGBERN CC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1I ZINC000575664328 505988859 /nfs/dbraw/zinc/98/88/59/505988859.db2.gz XYLOKQCBRDBFQC-UHFFFAOYSA-N 0 0 357.050 3.003 10 5 FGBERN CC(=O)c1c(OC(F)F)cc(I)cc1[N+](=O)[O-] ZINC000575663634 505988864 /nfs/dbraw/zinc/98/88/64/505988864.db2.gz FHNHHJIVUCZSNG-UHFFFAOYSA-N 0 0 357.050 3.003 10 5 FGBERN CC(C)C(=O)N[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000301559693 498163860 /nfs/dbraw/zinc/16/38/60/498163860.db2.gz IQKLADXEIIQNLG-NSHDSACASA-N 0 0 370.247 3.098 10 5 FGBERN C[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)C(C)(C)C ZINC000301576156 498170765 /nfs/dbraw/zinc/17/07/65/498170765.db2.gz QGRXLRWWTXKOTA-LBPRGKRZSA-N 0 0 355.460 3.226 10 5 FGBERN CC(=O)c1c(Br)cc([N+](=O)[O-])cc1I ZINC000575693399 505991081 /nfs/dbraw/zinc/99/10/81/505991081.db2.gz SNJMRFCOUBNPOU-UHFFFAOYSA-N 0 0 369.940 3.165 10 5 FGBERN CC(=O)c1ccc(C(F)(F)F)c(I)c1[N+](=O)[O-] ZINC000575710024 505992348 /nfs/dbraw/zinc/99/23/48/505992348.db2.gz GHEQPPZUIGJJRV-UHFFFAOYSA-N 0 0 359.041 3.421 10 5 FGBERN COC(=O)c1cc(N2CCO[C@](C)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000301636900 498199940 /nfs/dbraw/zinc/19/99/40/498199940.db2.gz LERVYXYDPQWJIY-IBGZPJMESA-N 0 0 356.378 3.133 10 5 FGBERN C[C@H]1COC2(CCN(c3cc(Br)ccc3[N+](=O)[O-])CC2)O1 ZINC000301648674 498206152 /nfs/dbraw/zinc/20/61/52/498206152.db2.gz FEGWSWCUDAQEGA-JTQLQIEISA-N 0 0 357.204 3.089 10 5 FGBERN Cc1cc(N2CCCC[C@@H]2CNC(=O)OC(C)(C)C)ncc1[N+](=O)[O-] ZINC000301780452 498260340 /nfs/dbraw/zinc/26/03/40/498260340.db2.gz NFSYDLGMBMYQND-CYBMUJFWSA-N 0 0 350.419 3.182 10 5 FGBERN CS(=O)(=O)c1cccc(SCc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-] ZINC000301893449 498315471 /nfs/dbraw/zinc/31/54/71/498315471.db2.gz PACAANZQOKOPNO-UHFFFAOYSA-N 0 0 368.392 3.199 10 5 FGBERN O=C(c1ccc(Cl)cc1)N1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302790910 498577651 /nfs/dbraw/zinc/57/76/51/498577651.db2.gz GXZMONUHBRFUJK-UHFFFAOYSA-N 0 0 363.776 3.350 10 5 FGBERN Cc1cccc(C(=O)N2CCCN(c3cc(F)ccc3[N+](=O)[O-])CC2)c1 ZINC000302822773 498589569 /nfs/dbraw/zinc/58/95/69/498589569.db2.gz SUYTUGNOHPHFMI-UHFFFAOYSA-N 0 0 357.385 3.395 10 5 FGBERN Cc1cc(N2CCN(c3cc(F)ccc3[N+](=O)[O-])CC2)nc(C(C)C)n1 ZINC000302841750 498598174 /nfs/dbraw/zinc/59/81/74/498598174.db2.gz DDSCHYGJTYMTQS-UHFFFAOYSA-N 0 0 359.405 3.282 10 5 FGBERN C[C@@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cccs1 ZINC000026244092 695681966 /nfs/dbraw/zinc/68/19/66/695681966.db2.gz XUFCFOZAQBKJJY-CYBMUJFWSA-N 0 0 360.439 3.249 10 5 FGBERN CC[C@H](NC(=O)NC[C@@H]1CSCCS1)c1cccc([N+](=O)[O-])c1 ZINC000090610960 700406339 /nfs/dbraw/zinc/40/63/39/700406339.db2.gz KDGCWAALPKESFL-KGLIPLIRSA-N 0 0 355.485 3.194 10 5 FGBERN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]1c1ccco1 ZINC000116354900 700592857 /nfs/dbraw/zinc/59/28/57/700592857.db2.gz LFSWQNQXJYWTLN-NSHDSACASA-N 0 0 356.787 3.367 10 5 FGBERN C[C@H](OC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CCOCC1 ZINC000153652838 705007340 /nfs/dbraw/zinc/00/73/40/705007340.db2.gz GGNXHTFBNGYFPB-VIFPVBQESA-N 0 0 358.188 3.329 10 5 FGBERN CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000173926623 705477901 /nfs/dbraw/zinc/47/79/01/705477901.db2.gz ZFSHWEUHGUJOSO-QWRGUYRKSA-N 0 0 369.443 3.080 10 5 FGBERN Cc1ccc([C@H](C)NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1F ZINC000184668058 712674520 /nfs/dbraw/zinc/67/45/20/712674520.db2.gz FVIBPUOXUOVHPB-LBPRGKRZSA-N 0 0 352.387 3.223 10 5 FGBERN CC(C)(C)OC(=O)N1C[C@@H]([N+](=O)[O-])[C@@H](c2cc(F)c(F)cc2F)CC1=O ZINC000098091273 209205828 /nfs/dbraw/zinc/20/58/28/209205828.db2.gz ZNMZKKSEBUSGLX-NOZJJQNGSA-N 0 0 374.315 3.000 10 5 FGBERN O=[N+]([O-])c1c(Br)sc(NCCc2ccncc2)c1[N+](=O)[O-] ZINC000005225009 207089270 /nfs/dbraw/zinc/08/92/70/207089270.db2.gz BKPZWKZCLVVMOU-UHFFFAOYSA-N 0 0 373.188 3.377 10 5 FGBERN Cc1ccc(C)c(OCC(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000012499455 207383423 /nfs/dbraw/zinc/38/34/23/207383423.db2.gz CFTJSDYGWIYZER-UHFFFAOYSA-N 0 0 359.407 3.104 10 5 FGBERN O=C(CCCOc1ccccc1)NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000040900206 208275200 /nfs/dbraw/zinc/27/52/00/208275200.db2.gz MSNUVGZYJOJXKU-UHFFFAOYSA-N 0 0 359.407 3.267 10 5 FGBERN 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372.429 3.056 10 5 FGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](n3cc(C)cn3)C2)c1 ZINC000109687878 494908297 /nfs/dbraw/zinc/90/82/97/494908297.db2.gz IUZTYIUNTWUECE-ZDUSSCGKSA-N 0 0 360.439 3.299 10 5 FGBERN Cc1nn(C)c(C(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] ZINC000098094828 495053456 /nfs/dbraw/zinc/05/34/56/495053456.db2.gz QNPWPCQGSZVBTF-ZETCQYMHSA-N 0 0 357.197 3.435 10 5 FGBERN COC(=O)C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000128738176 495143699 /nfs/dbraw/zinc/14/36/99/495143699.db2.gz MUOSWHZNSDXITB-HNNXBMFYSA-N 0 0 362.769 3.282 10 5 FGBERN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2CCCc3cc(F)ccc32)c1 ZINC000119564696 495191833 /nfs/dbraw/zinc/19/18/33/495191833.db2.gz AUARGVHLQHAJCG-QGZVFWFLSA-N 0 0 364.398 3.231 10 5 FGBERN CSc1ccc(C(=O)N2CC[C@H](Oc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000135695762 495326312 /nfs/dbraw/zinc/32/63/12/495326312.db2.gz KUVOFEIPYRMBRY-AWEZNQCLSA-N 0 0 359.407 3.005 10 5 FGBERN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113889991 495332953 /nfs/dbraw/zinc/33/29/53/495332953.db2.gz WIYDYBYGYAAECK-INIZCTEOSA-N 0 0 355.398 3.260 10 5 FGBERN COc1cc([N+](=O)[O-])ccc1OC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000141211802 495503312 /nfs/dbraw/zinc/50/33/12/495503312.db2.gz QJIAGMOAAQNVGY-UHFFFAOYSA-N 0 0 352.387 3.382 10 5 FGBERN CCOc1ccc(C(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)cc1[N+](=O)[O-] ZINC000173456039 495537557 /nfs/dbraw/zinc/53/75/57/495537557.db2.gz VOZQBRSQLZOZLX-CYBMUJFWSA-N 0 0 374.397 3.477 10 5 FGBERN CCO[C@H]1C[C@@H](N(C)C(=O)NCc2cccc([N+](=O)[O-])c2)C12CCCC2 ZINC000154228047 495549853 /nfs/dbraw/zinc/54/98/53/495549853.db2.gz CETKPXJVMGNJOC-SJORKVTESA-N 0 0 361.442 3.474 10 5 FGBERN Cc1csc([C@@H]2CCCN(C(=O)NCc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000173489144 495553871 /nfs/dbraw/zinc/55/38/71/495553871.db2.gz QSUOQXNSHUDPRR-CQSZACIVSA-N 0 0 360.439 3.449 10 5 FGBERN CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000154754103 495717514 /nfs/dbraw/zinc/71/75/14/495717514.db2.gz QQXBEBNBDFYIIT-GXTWGEPZSA-N 0 0 363.414 3.018 10 5 FGBERN CC[C@@H](NC(=O)NC[C@H](O)c1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000176700796 495754092 /nfs/dbraw/zinc/75/40/92/495754092.db2.gz YLDZATHJXDPNII-SJORKVTESA-N 0 0 373.409 3.087 10 5 FGBERN C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1cccc(-n2ccnc2)c1 ZINC000173950933 495759522 /nfs/dbraw/zinc/75/95/22/495759522.db2.gz ZBKBVYOABYMNBL-AWEZNQCLSA-N 0 0 366.377 3.037 10 5 FGBERN O=C(c1ccc([N+](=O)[O-])o1)N1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000179970553 495805330 /nfs/dbraw/zinc/80/53/30/495805330.db2.gz LGVAJFGRYHJTEV-VXGBXAGGSA-N 0 0 370.283 3.155 10 5 FGBERN COc1cc(N2C[C@@H](c3ccsc3)[C@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000186148400 495873720 /nfs/dbraw/zinc/87/37/20/495873720.db2.gz IETHOLGRRFPGHH-RYUDHWBXSA-N 0 0 352.387 3.016 10 5 FGBERN CCc1nccn1[C@@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000177058631 495906240 /nfs/dbraw/zinc/90/62/40/495906240.db2.gz ISRZOLQDTJRQBE-CQSZACIVSA-N 0 0 355.398 3.332 10 5 FGBERN Cc1ccc2c(c1)N(S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000155414045 495950248 /nfs/dbraw/zinc/95/02/48/495950248.db2.gz POGSQKDDOORQOE-CYBMUJFWSA-N 0 0 362.407 3.021 10 5 FGBERN Cc1ccc2c(c1)N(S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C[C@H](C)O2 ZINC000155413933 495950341 /nfs/dbraw/zinc/95/03/41/495950341.db2.gz POGSQKDDOORQOE-ZDUSSCGKSA-N 0 0 362.407 3.021 10 5 FGBERN Cc1c(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000171986694 496118467 /nfs/dbraw/zinc/11/84/67/496118467.db2.gz MCRYODJDDNKNMT-DNVCBOLYSA-N 0 0 367.405 3.451 10 5 FGBERN CN1C(=O)CC[C@@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000171986673 496118778 /nfs/dbraw/zinc/11/87/78/496118778.db2.gz BQYDPBQLQXQFNN-KDOFPFPSSA-N 0 0 371.368 3.282 10 5 FGBERN CN1C(=O)CC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000171986642 496118908 /nfs/dbraw/zinc/11/89/08/496118908.db2.gz SEAMRJDALUXURP-AEFFLSMTSA-N 0 0 353.378 3.143 10 5 FGBERN CCc1csc([C@@H]2CCCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C2)n1 ZINC000180779182 496143708 /nfs/dbraw/zinc/14/37/08/496143708.db2.gz WJQTVQMEFLERHT-LLVKDONJSA-N 0 0 360.439 3.216 10 5 FGBERN CC[C@H](NC(=O)CSC[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000177784108 496193498 /nfs/dbraw/zinc/19/34/98/496193498.db2.gz FLDBVVRNHRFHMU-HOTGVXAUSA-N 0 0 352.456 3.464 10 5 FGBERN CC[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000177792323 496197686 /nfs/dbraw/zinc/19/76/86/496197686.db2.gz XJQYRFPYDWPQIN-FZMZJTMJSA-N 0 0 351.403 3.075 10 5 FGBERN CC[C@@H](NC(=O)c1ccc(N2CCNC2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000177794632 496199824 /nfs/dbraw/zinc/19/98/24/496199824.db2.gz BHQSMWXMVXKWGO-QGZVFWFLSA-N 0 0 368.393 3.006 10 5 FGBERN CC[C@@H](NC(=O)c1cnc(-c2cnn(C)c2)s1)c1cccc([N+](=O)[O-])c1 ZINC000177801270 496202715 /nfs/dbraw/zinc/20/27/15/496202715.db2.gz RSDVOPUXDKBCTD-CQSZACIVSA-N 0 0 371.422 3.333 10 5 FGBERN CCc1nc2n(n1)C[C@H](NC(=O)c1cc3ccccc3c3cccnc13)CC2 ZINC000172257288 496232643 /nfs/dbraw/zinc/23/26/43/496232643.db2.gz KLZCEBQFVHWMPO-OAHLLOKOSA-N 0 0 371.444 3.287 10 5 FGBERN CC[C@@H](NS(=O)(=O)c1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000175112244 496251803 /nfs/dbraw/zinc/25/18/03/496251803.db2.gz APJKEYNBNQTJJX-CQSZACIVSA-N 0 0 350.396 3.033 10 5 FGBERN CC[C@@H](NC(=O)NCc1ccc(C(=O)OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000175187416 496283254 /nfs/dbraw/zinc/28/32/54/496283254.db2.gz VWRZKWFPSYPLNJ-QGZVFWFLSA-N 0 0 371.393 3.332 10 5 FGBERN CC[C@@H](NC(=O)C(=O)Nc1c(C)cccc1C)c1cccc([N+](=O)[O-])c1 ZINC000178055982 496307688 /nfs/dbraw/zinc/30/76/88/496307688.db2.gz VXSDHRYLXGPMOX-MRXNPFEDSA-N 0 0 355.394 3.418 10 5 FGBERN COc1cc(CN[C@@H](C)c2ccc3c(c2)OCCO3)c([N+](=O)[O-])cc1F ZINC000184298839 496325679 /nfs/dbraw/zinc/32/56/79/496325679.db2.gz QCRJAFNKWROFSJ-NSHDSACASA-N 0 0 362.357 3.365 10 5 FGBERN Cc1cnn([C@H]2CCCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000175347328 496349477 /nfs/dbraw/zinc/34/94/77/496349477.db2.gz MOAMUWRVSSYHBW-SFHVURJKSA-N 0 0 371.441 3.156 10 5 FGBERN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1c1nccs1 ZINC000175377291 496363688 /nfs/dbraw/zinc/36/36/88/496363688.db2.gz VUNCFCOEMRCXLN-ZDUSSCGKSA-N 0 0 367.452 3.276 10 5 FGBERN CC[C@@H](NC(=O)CNC(=O)c1cc(C)cc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000175456508 496399860 /nfs/dbraw/zinc/39/98/60/496399860.db2.gz WMRWHCQMMLSNOQ-GOSISDBHSA-N 0 0 369.421 3.209 10 5 FGBERN C[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000162810372 496415342 /nfs/dbraw/zinc/41/53/42/496415342.db2.gz QMTOSUCLFQOLRX-ACJLOTCBSA-N 0 0 367.405 3.079 10 5 FGBERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000184919262 496585199 /nfs/dbraw/zinc/58/51/99/496585199.db2.gz AUXXSXZHPWSEKL-WDEREUQCSA-N 0 0 354.378 3.026 10 5 FGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000154002495 496650298 /nfs/dbraw/zinc/65/02/98/496650298.db2.gz ISIZMSFQKYUXOW-CJNGLKHVSA-N 0 0 363.320 3.213 10 5 FGBERN CCOc1ccc([C@H](C)N[C@@H](C)c2nnc3n2CCCC3)cc1[N+](=O)[O-] ZINC000154053534 496668922 /nfs/dbraw/zinc/66/89/22/496668922.db2.gz KPRKRWNHOSDTQD-STQMWFEESA-N 0 0 359.430 3.333 10 5 FGBERN O=[N+]([O-])c1ccc(OCCN2CCCC[C@H]2c2nnc3n2CCCC3)cc1 ZINC000195511400 496946371 /nfs/dbraw/zinc/94/63/71/496946371.db2.gz POPZFJXBMYEHSL-KRWDZBQOSA-N 0 0 371.441 3.129 10 5 FGBERN O=[N+]([O-])c1ccccc1OCCN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000195511561 496948050 /nfs/dbraw/zinc/94/80/50/496948050.db2.gz BLHMRUVKZORPOD-MRXNPFEDSA-N 0 0 371.441 3.129 10 5 FGBERN O=[N+]([O-])c1ccc(F)cc1CN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000195511742 496948135 /nfs/dbraw/zinc/94/81/35/496948135.db2.gz WZWYEIVBEPXTET-MRXNPFEDSA-N 0 0 359.405 3.389 10 5 FGBERN CCn1cnnc1[C@H]1CCCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000189747478 497230666 /nfs/dbraw/zinc/23/06/66/497230666.db2.gz MYTVSPLUCWFEQC-HNNXBMFYSA-N 0 0 371.441 3.349 10 5 FGBERN CC(C)c1ccc(C(=O)N2CCC(Cn3cccn3)CC2)cc1[N+](=O)[O-] ZINC000189869881 497274747 /nfs/dbraw/zinc/27/47/47/497274747.db2.gz RASCJZFZTHNTTC-UHFFFAOYSA-N 0 0 356.426 3.467 10 5 FGBERN COC(=O)N1CCC(Nc2cc(C)nc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000301113667 497956909 /nfs/dbraw/zinc/95/69/09/497956909.db2.gz UDFWFRNCFBABED-UHFFFAOYSA-N 0 0 371.397 3.003 10 5 FGBERN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CC[C@@H]2CCCC[C@H]21 ZINC000301278522 498034821 /nfs/dbraw/zinc/03/48/21/498034821.db2.gz XCMXOWLZWKAEET-CMPLNLGQSA-N 0 0 360.382 3.360 10 5 FGBERN Cc1cc(NCc2nncn2C(C)C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301285605 498037823 /nfs/dbraw/zinc/03/78/23/498037823.db2.gz ODFTZRNAVPSWEM-UHFFFAOYSA-N 0 0 353.386 3.145 10 5 FGBERN O=c1c([N+](=O)[O-])c(N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)nc2ccccn12 ZINC000301432653 498107996 /nfs/dbraw/zinc/10/79/96/498107996.db2.gz QWYIRFJCNPNVAM-HUUCEWRRSA-N 0 0 368.368 3.490 10 5 FGBERN C[C@H](Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000301551722 498160878 /nfs/dbraw/zinc/16/08/78/498160878.db2.gz HFRHCODOSTZYJQ-LBPRGKRZSA-N 0 0 363.439 3.020 10 5 FGBERN CC(=O)c1c(Br)c([N+](=O)[O-])ccc1I ZINC000575693441 505991093 /nfs/dbraw/zinc/99/10/93/505991093.db2.gz VGTLBHDODONMQD-UHFFFAOYSA-N 0 0 369.940 3.165 10 5 FGBERN CNC(=O)c1ccc(NCc2cc(Cl)c(Cl)n2C)c([N+](=O)[O-])c1 ZINC000301649837 498206171 /nfs/dbraw/zinc/20/61/71/498206171.db2.gz PLBHXDYHGYPOSE-UHFFFAOYSA-N 0 0 357.197 3.212 10 5 FGBERN CS(=O)(=O)c1cc(NCCOc2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000301793263 498265912 /nfs/dbraw/zinc/26/59/12/498265912.db2.gz OMTCVXOJFIBYJS-UHFFFAOYSA-N 0 0 370.814 3.143 10 5 FGBERN O=[N+]([O-])c1ccc(CO)cc1N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000302054984 498386762 /nfs/dbraw/zinc/38/67/62/498386762.db2.gz QFMHXLKDEJQPSG-WMLDXEAASA-N 0 0 350.321 3.307 10 5 FGBERN COC(=O)[C@@]12CCC[C@H]1CN(c1ccc([N+](=O)[O-])cc1C(F)(F)F)C2 ZINC000302199754 498438794 /nfs/dbraw/zinc/43/87/94/498438794.db2.gz USDYUBMLNMAVEY-ZUZCIYMTSA-N 0 0 358.316 3.393 10 5 FGBERN C[C@H](COCc1ccccc1)Nc1c(Br)cncc1[N+](=O)[O-] ZINC000390670404 499555056 /nfs/dbraw/zinc/55/50/56/499555056.db2.gz YVFJKEPMJUXOKY-LLVKDONJSA-N 0 0 366.215 3.191 10 5 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O=[N+]([O-])c1ccc(F)cc1N1CCN(c2ncnc3sccc32)CC1 ZINC000302821452 498587773 /nfs/dbraw/zinc/58/77/73/498587773.db2.gz QODUENHPRGLZCB-UHFFFAOYSA-N 0 0 359.386 3.065 10 5 FGBERN Cc1ccc([C@@H](C)OC(=O)c2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000084809951 700363108 /nfs/dbraw/zinc/36/31/08/700363108.db2.gz BFJXFSRZSWFNCG-GFCCVEGCSA-N 0 0 363.391 3.225 10 5 FGBERN Cc1cnc2c(cccc2S(=O)(=O)Oc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000102661503 700477122 /nfs/dbraw/zinc/47/71/22/700477122.db2.gz RVACVIYLLTTYGG-UHFFFAOYSA-N 0 0 362.338 3.358 10 5 FGBERN C[N+](C)([O-])Cc1cccc(S(=O)(=O)c2cc(Cl)nc(Cl)c2)c1 ZINC000584649221 717184794 /nfs/dbraw/zinc/18/47/94/717184794.db2.gz YMFDWJMUZBUCCB-UHFFFAOYSA-N 0 0 361.250 3.295 10 5 FGBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cnc2c(F)cccc2c1O ZINC000041055705 208279547 /nfs/dbraw/zinc/27/95/47/208279547.db2.gz XZLOLZXNESTYSC-UHFFFAOYSA-N 0 0 361.716 3.481 10 5 FGBERN O=[N+]([O-])c1cccc(Nc2ncnc(Nc3cccnc3)c2[N+](=O)[O-])c1 ZINC000040628298 208261440 /nfs/dbraw/zinc/26/14/40/208261440.db2.gz DBUWUBUYBOJNMZ-UHFFFAOYSA-N 0 0 353.298 3.175 10 5 FGBERN C[C@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000027912083 493766613 /nfs/dbraw/zinc/76/66/13/493766613.db2.gz AZFSVEWNCPMWBS-KBXCAEBGSA-N 0 0 361.442 3.128 10 5 FGBERN CCc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000048799640 493846583 /nfs/dbraw/zinc/84/65/83/493846583.db2.gz VSXAGRRSTHMBQA-ZDUSSCGKSA-N 0 0 355.394 3.282 10 5 FGBERN Cc1ccccc1[C@@H](C)NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000054065907 494191730 /nfs/dbraw/zinc/19/17/30/494191730.db2.gz SNLTYIWSRPIEDA-MRXNPFEDSA-N 0 0 368.437 3.496 10 5 FGBERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000088335947 494226950 /nfs/dbraw/zinc/22/69/50/494226950.db2.gz URKCXLYKMPAOSC-LLVKDONJSA-N 0 0 364.793 3.059 10 5 FGBERN CNS(=O)(=O)c1ccc(N[C@@H](C)c2ccc(C)c(F)c2)c([N+](=O)[O-])c1 ZINC000088765102 494258698 /nfs/dbraw/zinc/25/86/98/494258698.db2.gz FFGCLPVMEKJMRX-NSHDSACASA-N 0 0 367.402 3.124 10 5 FGBERN Cc1ccc([C@H]2C[C@H](C)CCN2c2nc3ccccn3c(=O)c2[N+](=O)[O-])o1 ZINC000078689875 494344202 /nfs/dbraw/zinc/34/42/02/494344202.db2.gz NUBNBDSSCDTEDU-TZMCWYRMSA-N 0 0 368.393 3.482 10 5 FGBERN COc1ccc([C@@H](C)NC(=O)NCc2ccccc2[N+](=O)[O-])cc1OC ZINC000045621866 494445781 /nfs/dbraw/zinc/44/57/81/494445781.db2.gz KCSQDBDKNZFAKJ-GFCCVEGCSA-N 0 0 359.382 3.172 10 5 FGBERN CC[C@H](NC(=O)c1cn(-c2ccc(C)cc2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000090466536 494470774 /nfs/dbraw/zinc/47/07/74/494470774.db2.gz AVRQBQMMZUYUNN-KRWDZBQOSA-N 0 0 365.393 3.365 10 5 FGBERN CC[C@H](NC(=O)N[C@H](C)Cc1c(C)nn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000090594066 494486259 /nfs/dbraw/zinc/48/62/59/494486259.db2.gz HMYUCJCQZVYOJA-XIKOKIGWSA-N 0 0 373.457 3.327 10 5 FGBERN Cc1cc([N+](=O)[O-])cnc1Oc1ccc(I)nc1 ZINC000092681074 494710114 /nfs/dbraw/zinc/71/01/14/494710114.db2.gz WYQBESSDNSFXKH-UHFFFAOYSA-N 0 0 357.107 3.090 10 5 FGBERN CN(c1ccc2cc([N+](=O)[O-])ccc2n1)[C@@H]1CCCN(c2cccnn2)C1 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Cc1cc(C(=O)N2CCC[C@@H]2CNC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000173620595 495618216 /nfs/dbraw/zinc/61/82/16/495618216.db2.gz YJUGSGGUIZEGEJ-CQSZACIVSA-N 0 0 363.414 3.033 10 5 FGBERN CC[C@H](NC(=O)C(=O)Nc1c(C)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000158938264 495621317 /nfs/dbraw/zinc/62/13/17/495621317.db2.gz XFPHLBVTPLIVJA-HNNXBMFYSA-N 0 0 359.357 3.248 10 5 FGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000173923546 495749154 /nfs/dbraw/zinc/74/91/54/495749154.db2.gz IQHXIIJICRVLAN-CYBMUJFWSA-N 0 0 366.377 3.280 10 5 FGBERN CC[C@@H](NC(=O)N(CCOC)Cc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000176692804 495750277 /nfs/dbraw/zinc/75/02/77/495750277.db2.gz SASBEDFWXLTFGR-GOSISDBHSA-N 0 0 372.425 3.299 10 5 FGBERN Cc1c(NC(=O)C(=O)N[C@H]2CCCc3cc(F)ccc32)cccc1[N+](=O)[O-] ZINC000155354387 495930922 /nfs/dbraw/zinc/93/09/22/495930922.db2.gz RDGQWRHKFVNUBR-INIZCTEOSA-N 0 0 371.368 3.175 10 5 FGBERN O=[N+]([O-])c1cccc(F)c1CN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000171640160 495961282 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ZINC000192147317 497012549 /nfs/dbraw/zinc/01/25/49/497012549.db2.gz RNXSPMYUOTYSRV-IBGZPJMESA-N 0 0 372.421 3.430 10 5 FGBERN CCn1cc([C@@H]2CN(Cc3cc([N+](=O)[O-])ccc3OC(C)C)CCO2)cn1 ZINC000190780968 497602086 /nfs/dbraw/zinc/60/20/86/497602086.db2.gz ZPKNFVNWJVSFIB-IBGZPJMESA-N 0 0 374.441 3.172 10 5 FGBERN CC(C)CCC(=O)N1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000301083438 497943504 /nfs/dbraw/zinc/94/35/04/497943504.db2.gz LBSALAMGOPLBAV-UHFFFAOYSA-N 0 0 356.426 3.228 10 5 FGBERN Cc1cc(N2CCC(n3cccn3)CC2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301106308 497954510 /nfs/dbraw/zinc/95/45/10/497954510.db2.gz LMBDWCWRZKHAML-UHFFFAOYSA-N 0 0 364.409 3.398 10 5 FGBERN O=c1c([N+](=O)[O-])c(N[C@H]2C[C@H]2c2cccc(Cl)c2)nc2ccccn12 ZINC000301357571 498072370 /nfs/dbraw/zinc/07/23/70/498072370.db2.gz NLPHYCOERAYFGC-STQMWFEESA-N 0 0 356.769 3.224 10 5 FGBERN C[C@@H]1CCN(c2nc3ccccn3c(=O)c2[N+](=O)[O-])[C@@H]1c1cccc(F)c1 ZINC000301472418 498124319 /nfs/dbraw/zinc/12/43/19/498124319.db2.gz 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498524747 /nfs/dbraw/zinc/52/47/47/498524747.db2.gz OAXFCYWJQAKMLJ-UHFFFAOYSA-N 0 0 364.398 3.281 10 5 FGBERN Cc1noc([C@H](C)N2CCN(c3c(C)cc([N+](=O)[O-])cc3Cl)CC2)n1 ZINC000302692374 498534239 /nfs/dbraw/zinc/53/42/39/498534239.db2.gz RYLMQQIYPSWIGY-NSHDSACASA-N 0 0 365.821 3.131 10 5 FGBERN O=C(c1cccc(F)c1)N1CCCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302822600 498587989 /nfs/dbraw/zinc/58/79/89/498587989.db2.gz SQQPPVRQTJVIQI-UHFFFAOYSA-N 0 0 361.348 3.226 10 5 FGBERN C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccs1 ZINC000048880320 695890444 /nfs/dbraw/zinc/89/04/44/695890444.db2.gz WQTWLVLIEYYGLG-MRVPVSSYSA-N 0 0 353.787 3.126 10 5 FGBERN CCCCCS(=O)(=O)CC(=O)O[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000084808325 700362724 /nfs/dbraw/zinc/36/27/24/700362724.db2.gz SWXZJWPBGYRCDJ-ZDUSSCGKSA-N 0 0 357.428 3.112 10 5 FGBERN CC(C)(C)OC(=O)N[C@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000171632479 705391454 /nfs/dbraw/zinc/39/14/54/705391454.db2.gz NMNIJMVZHIYAEM-LBPRGKRZSA-N 0 0 353.394 3.223 10 5 FGBERN C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(F)cc1Cl ZINC000183776277 705901927 /nfs/dbraw/zinc/90/19/27/705901927.db2.gz TZWQXOKBLQTPNA-SECBINFHSA-N 0 0 351.765 3.337 10 5 FGBERN O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@@H]2Oc1cccc([N+](=O)[O-])c1 ZINC000035682671 211644050 /nfs/dbraw/zinc/64/40/50/211644050.db2.gz GAASBNJXOZDPDG-INIZCTEOSA-N 0 0 371.393 3.016 10 5 FGBERN COC(=O)CSc1nc2ccccc2nc1Cc1cccc([N+](=O)[O-])c1 ZINC000003018049 210443142 /nfs/dbraw/zinc/44/31/42/210443142.db2.gz BHIAIALVZJZBII-UHFFFAOYSA-N 0 0 369.402 3.394 10 5 FGBERN CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)csc1NC(=O)COC ZINC000001906340 210374803 /nfs/dbraw/zinc/37/48/03/210374803.db2.gz ZWGLINXIWUQJGY-UHFFFAOYSA-N 0 0 364.379 3.085 10 5 FGBERN Cc1c(NC(=O)C(=O)N[C@H]2CCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000048648323 257343459 /nfs/dbraw/zinc/34/34/59/257343459.db2.gz WFXLYRIGYSFBTI-INIZCTEOSA-N 0 0 353.378 3.036 10 5 FGBERN O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@@H]2Oc1ccc([N+](=O)[O-])cc1 ZINC000035682655 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FGBERN O=C(Nc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000015773145 494368386 /nfs/dbraw/zinc/36/83/86/494368386.db2.gz HFJOPJRQRGPQLP-UHFFFAOYSA-N 0 0 354.149 3.479 10 5 FGBERN CC1(C)CO[C@H](c2ccccc2)CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000066897596 494434166 /nfs/dbraw/zinc/43/41/66/494434166.db2.gz JBZSBOANHPQZNK-SFHVURJKSA-N 0 0 369.421 3.385 10 5 FGBERN CC[C@H](NC(=O)N[C@@H](C)Cc1c(C)nn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000090594061 494486243 /nfs/dbraw/zinc/48/62/43/494486243.db2.gz HMYUCJCQZVYOJA-SGTLLEGYSA-N 0 0 373.457 3.327 10 5 FGBERN Cc1c(C(=O)N[C@H](C)c2cccs2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000024256750 494616153 /nfs/dbraw/zinc/61/61/53/494616153.db2.gz OEBBWBLOLOITGH-SNVBAGLBSA-N 0 0 357.395 3.036 10 5 FGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000127747063 494991574 /nfs/dbraw/zinc/99/15/74/494991574.db2.gz QPGOOOGNLHXVJD-CYBMUJFWSA-N 0 0 372.429 3.063 10 5 FGBERN CC(C)c1nc2c(n1C)CCN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000112666273 495219862 /nfs/dbraw/zinc/21/98/62/495219862.db2.gz RXDQEQRJEKKVPF-UHFFFAOYSA-N 0 0 362.817 3.304 10 5 FGBERN CCc1nccn1[C@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000106216872 495434826 /nfs/dbraw/zinc/43/48/26/495434826.db2.gz WILDWVQPXAMHNH-GJZGRUSLSA-N 0 0 371.441 3.018 10 5 FGBERN Cc1csc([C@@H]2CCCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3N)C2)n1 ZINC000173752392 495676833 /nfs/dbraw/zinc/67/68/33/495676833.db2.gz PBQZGGHFWLBOIF-GFCCVEGCSA-N 0 0 360.439 3.270 10 5 FGBERN O=C(N[C@@H]1COc2ccccc21)c1ccc([N+](=O)[O-])cc1Br ZINC000151037523 495719068 /nfs/dbraw/zinc/71/90/68/495719068.db2.gz AKYRVYOOCRKAFV-CYBMUJFWSA-N 0 0 363.167 3.221 10 5 FGBERN CC(C)C[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1nc(-c2nc[nH]n2)no1 ZINC000179808613 495742770 /nfs/dbraw/zinc/74/27/70/495742770.db2.gz NRHDDMPBCVIKIT-RISCZKNCSA-N 0 0 371.401 3.201 10 5 FGBERN CC[C@@H](NC(=O)N1CCC[C@H]1Cn1ccnc1C)c1cccc([N+](=O)[O-])c1 ZINC000176695237 495751389 /nfs/dbraw/zinc/75/13/89/495751389.db2.gz 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CC[C@H](NC(=O)NCc1ccn2ccnc2c1)c1cccc([N+](=O)[O-])c1 ZINC000177643213 496143735 /nfs/dbraw/zinc/14/37/35/496143735.db2.gz ZALPAURAMCUYFB-INIZCTEOSA-N 0 0 353.382 3.193 10 5 FGBERN CCC[C@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000161389851 496166299 /nfs/dbraw/zinc/16/62/99/496166299.db2.gz AETNCQDOOKTFDC-NSHDSACASA-N 0 0 356.806 3.488 10 5 FGBERN Cc1ccc(N2CCCN(Cc3cc([N+](=O)[O-])ccc3Cl)CC2)nn1 ZINC000172179025 496197198 /nfs/dbraw/zinc/19/71/98/496197198.db2.gz DSJDRJONFHQVPE-UHFFFAOYSA-N 0 0 361.833 3.059 10 5 FGBERN CC[C@H](NC(=O)C(=O)Nc1cccc(C(C)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000178057895 496308632 /nfs/dbraw/zinc/30/86/32/496308632.db2.gz AIQCAPXFOBPJLL-KRWDZBQOSA-N 0 0 369.377 3.003 10 5 FGBERN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCO[C@H]2CCCC[C@H]21 ZINC000162195278 496312944 /nfs/dbraw/zinc/31/29/44/496312944.db2.gz LXEJFUDLXADYFV-KGLIPLIRSA-N 0 0 369.215 3.141 10 5 FGBERN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N(C)C1CCC1 ZINC000172697254 496391103 /nfs/dbraw/zinc/39/11/03/496391103.db2.gz XDBBWJCSLYFFBR-OAHLLOKOSA-N 0 0 367.833 3.014 10 5 FGBERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000175677710 496497473 /nfs/dbraw/zinc/49/74/73/496497473.db2.gz WQOCGZYTBDAQJD-YVEFUNNKSA-N 0 0 370.409 3.081 10 5 FGBERN Cc1c(CC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cccc1[N+](=O)[O-] ZINC000178553420 496497568 /nfs/dbraw/zinc/49/75/68/496497568.db2.gz CAGYWFBOIZKWJO-CYBMUJFWSA-N 0 0 356.378 3.094 10 5 FGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000153632542 496525694 /nfs/dbraw/zinc/52/56/94/496525694.db2.gz ASNXNCIREYIZLS-LBPRGKRZSA-N 0 0 358.402 3.022 10 5 FGBERN Cc1nccn1C[C@H]1CCCN1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000175902523 496594926 /nfs/dbraw/zinc/59/49/26/496594926.db2.gz RKAGIGPQLPAQTN-SUMWQHHRSA-N 0 0 357.414 3.035 10 5 FGBERN CCc1ccc([C@H](C)NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000178932038 496621087 /nfs/dbraw/zinc/62/10/87/496621087.db2.gz PODXYLDMDDTEPV-AWEZNQCLSA-N 0 0 362.451 3.380 10 5 FGBERN Cc1ccc([C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])s2)o1 ZINC000173300324 496632394 /nfs/dbraw/zinc/63/23/94/496632394.db2.gz FVICFZCBYAXJIF-NSHDSACASA-N 0 0 356.425 3.474 10 5 FGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@H]1c1ccco1 ZINC000247576497 496892459 /nfs/dbraw/zinc/89/24/59/496892459.db2.gz XRBUKJYGRLKIAG-WFASDCNBSA-N 0 0 359.382 3.361 10 5 FGBERN O=[N+]([O-])c1ccc(CCN2CCCC[C@H]2c2nnc3n2CCCC3)cc1 ZINC000195511747 496947312 /nfs/dbraw/zinc/94/73/12/496947312.db2.gz OEJPFVZIJHLUPG-KRWDZBQOSA-N 0 0 355.442 3.292 10 5 FGBERN Cc1ccc([C@@H]2CCCCN2C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)o1 ZINC000190209037 497400515 /nfs/dbraw/zinc/40/05/15/497400515.db2.gz SKBONFHDLYHHFE-INIZCTEOSA-N 0 0 371.393 3.497 10 5 FGBERN CC[C@@H](NC(=O)N[C@H](CO)Cc1cccc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000190238716 497410475 /nfs/dbraw/zinc/41/04/75/497410475.db2.gz LOEGVRIBIVFESL-PKOBYXMFSA-N 0 0 371.437 3.257 10 5 FGBERN CC(=O)c1ccc(N2CCCC[C@@H]2c2nnc3n2CCCC3)c([N+](=O)[O-])c1 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/nfs/dbraw/zinc/98/89/52/505988952.db2.gz OGSWZRHQZRONKC-UHFFFAOYSA-N 0 0 357.050 3.003 10 5 FGBERN C[C@H](Nc1nc2ccccn2c(=O)c1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000301576178 498170610 /nfs/dbraw/zinc/17/06/10/498170610.db2.gz QIJRTBBBZLEYHY-ZDUSSCGKSA-N 0 0 352.394 3.381 10 5 FGBERN CO[C@@H](C)c1nc(CN(C)c2nc3sccn3c2[N+](=O)[O-])cs1 ZINC000301579870 498172141 /nfs/dbraw/zinc/17/21/41/498172141.db2.gz UKVYWPGNAMKKSR-QMMMGPOBSA-N 0 0 353.429 3.104 10 5 FGBERN COc1cc(OC)cc(C2(O)CCN(c3ccc([N+](=O)[O-])c(C)c3)CC2)c1 ZINC000301668531 498215832 /nfs/dbraw/zinc/21/58/32/498215832.db2.gz XXYSRBPMFRRIBZ-UHFFFAOYSA-N 0 0 372.421 3.408 10 5 FGBERN COC(=O)c1cc(N2C[C@@H](C)OC[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000301944183 498339210 /nfs/dbraw/zinc/33/92/10/498339210.db2.gz AAKITQOVVVLRFZ-FZKQIMNGSA-N 0 0 356.378 3.348 10 5 FGBERN Cn1cc([C@@]2(C)CN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)CCO2)cn1 ZINC000302025479 498374133 /nfs/dbraw/zinc/37/41/33/498374133.db2.gz KMFJLHFTLOAYBL-OAHLLOKOSA-N 0 0 371.224 3.387 10 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/nfs/dbraw/zinc/10/20/24/211102024.db2.gz XKMDYMXOGJOCPN-UHFFFAOYSA-N 0 0 369.114 3.419 10 5 FGBERN Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000048778454 493845765 /nfs/dbraw/zinc/84/57/65/493845765.db2.gz LAWSPQCSRJSAGB-NSHDSACASA-N 0 0 361.785 3.373 10 5 FGBERN Cc1c(NC(=O)C(=O)N[C@H](C)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000061853795 493996317 /nfs/dbraw/zinc/99/63/17/493996317.db2.gz GYAIFWCMEFOMBD-LLVKDONJSA-N 0 0 361.785 3.373 10 5 FGBERN O=[N+]([O-])c1ccccc1OCc1nc(-c2ccc(Br)o2)n[nH]1 ZINC000072237541 494145749 /nfs/dbraw/zinc/14/57/49/494145749.db2.gz KYRJCQKNCIYQPJ-UHFFFAOYSA-N 0 0 365.143 3.314 10 5 FGBERN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000088826622 494266843 /nfs/dbraw/zinc/26/68/43/494266843.db2.gz LIZKNTFOCOCOSA-LBPRGKRZSA-N 0 0 359.357 3.167 10 5 FGBERN CC[C@H](NC(=O)c1cccc(C[S@](C)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000090466509 494470557 /nfs/dbraw/zinc/47/05/57/494470557.db2.gz MXPGFNMOAFDJEO-SSOJOUAXSA-N 0 0 360.435 3.354 10 5 FGBERN CC[C@H](NC(=O)N(CCOC)Cc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000090685105 494493098 /nfs/dbraw/zinc/49/30/98/494493098.db2.gz SASBEDFWXLTFGR-SFHVURJKSA-N 0 0 372.425 3.299 10 5 FGBERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000121158448 494622823 /nfs/dbraw/zinc/62/28/23/494622823.db2.gz VCLLXVLCVTZMHT-QGZVFWFLSA-N 0 0 356.426 3.160 10 5 FGBERN COC(=O)c1cc(N[C@@H](CO)c2ccc(Cl)cc2)cc(C)c1[N+](=O)[O-] ZINC000092960889 494794364 /nfs/dbraw/zinc/79/43/64/494794364.db2.gz BIXSIPZSNCODLE-HNNXBMFYSA-N 0 0 364.785 3.489 10 5 FGBERN COC(=O)c1cc(N[C@H](CO)c2ccc(Cl)cc2)cc(C)c1[N+](=O)[O-] ZINC000092960890 494794634 /nfs/dbraw/zinc/79/46/34/494794634.db2.gz BIXSIPZSNCODLE-OAHLLOKOSA-N 0 0 364.785 3.489 10 5 FGBERN CN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc([N+](=O)[O-])cn1 ZINC000095075126 494958261 /nfs/dbraw/zinc/95/82/61/494958261.db2.gz LWOYJAOVRSRFKE-ZDUSSCGKSA-N 0 0 350.419 3.073 10 5 FGBERN CC(C)(C)OC(=O)N1CC[C@H](CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000095083889 494958628 /nfs/dbraw/zinc/95/86/28/494958628.db2.gz HRGKPJOQKAZJKQ-LLVKDONJSA-N 0 0 361.402 3.140 10 5 FGBERN Cc1cccc2[nH]cc(CCNc3ccc([N+](=O)[O-])c(S(C)(=O)=O)c3)c21 ZINC000124616414 495316633 /nfs/dbraw/zinc/31/66/33/495316633.db2.gz QZRNTWQJTVSFJF-UHFFFAOYSA-N 0 0 373.434 3.443 10 5 FGBERN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000135785505 495333848 /nfs/dbraw/zinc/33/38/48/495333848.db2.gz DGANYUQSJZQMNO-XJKSGUPXSA-N 0 0 373.434 3.150 10 5 FGBERN CS(=O)(=O)c1cc(NCCOC2CCCCCC2)ccc1[N+](=O)[O-] ZINC000125283881 495419387 /nfs/dbraw/zinc/41/93/87/495419387.db2.gz AXECZPYWIFXXEU-UHFFFAOYSA-N 0 0 356.444 3.150 10 5 FGBERN Cc1nn(C)c(C)c1[C@@H]1CCCN1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000106210168 495430899 /nfs/dbraw/zinc/43/08/99/495430899.db2.gz ZABDLPBMXNDARV-KRWDZBQOSA-N 0 0 371.441 3.029 10 5 FGBERN C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1ccc2c(c1)OCCO2 ZINC000170639287 495542053 /nfs/dbraw/zinc/54/20/53/495542053.db2.gz FXDDCRAMRCQKIU-LLVKDONJSA-N 0 0 369.377 3.424 10 5 FGBERN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000150735533 495616577 /nfs/dbraw/zinc/61/65/77/495616577.db2.gz HKKQAUSPOQNKGM-UONOGXRCSA-N 0 0 369.215 3.141 10 5 FGBERN CCO[C@H]1C[C@H](N(C)C(=O)c2cc(OC)ccc2[N+](=O)[O-])C12CCCC2 ZINC000150811819 495641301 /nfs/dbraw/zinc/64/13/01/495641301.db2.gz MGEHBFZZBWQYGO-IRXDYDNUSA-N 0 0 362.426 3.413 10 5 FGBERN O=c1c([N+](=O)[O-])c(NCC2(Cc3ccccc3)CC2)nc2ccccn21 ZINC000154694052 495697776 /nfs/dbraw/zinc/69/77/76/495697776.db2.gz NFYTZWBBSJBPHD-UHFFFAOYSA-N 0 0 350.378 3.038 10 5 FGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](c2ccccc2)OCC1(C)C ZINC000171306116 495812834 /nfs/dbraw/zinc/81/28/34/495812834.db2.gz HDYWOHRLZIAAHQ-QGZVFWFLSA-N 0 0 355.394 3.291 10 5 FGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000186051699 495837643 /nfs/dbraw/zinc/83/76/43/495837643.db2.gz AJNXLWYFLARXFI-KAPURRDVSA-N 0 0 354.410 3.367 10 5 FGBERN CC[C@@H](NC(=O)Nc1ccc(C(N)=O)c(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000176979677 495868457 /nfs/dbraw/zinc/86/84/57/495868457.db2.gz UUVBJNXLXRRWMA-MRXNPFEDSA-N 0 0 356.382 3.275 10 5 FGBERN Cc1nccn1C[C@H]1CCCN1C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000177191660 495968625 /nfs/dbraw/zinc/96/86/25/495968625.db2.gz SHIXCUAOBLQBLU-XJKSGUPXSA-N 0 0 374.466 3.272 10 5 FGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000183764234 496109271 /nfs/dbraw/zinc/10/92/71/496109271.db2.gz WNXLAXSCPPLULN-ISBHARSQSA-N 0 0 370.409 3.171 10 5 FGBERN CCn1cnnc1[C@H]1CCCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000180701095 496109945 /nfs/dbraw/zinc/10/99/45/496109945.db2.gz DLEUPXFHNBLCOL-AWEZNQCLSA-N 0 0 372.429 3.235 10 5 FGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000174874512 496143844 /nfs/dbraw/zinc/14/38/44/496143844.db2.gz FONZUBKFDZGRDV-QAPCUYQASA-N 0 0 355.394 3.027 10 5 FGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000174876045 496144809 /nfs/dbraw/zinc/14/48/09/496144809.db2.gz 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CC[C@@H](NC(=O)C1CCN(C(=O)C(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000177806861 496204173 /nfs/dbraw/zinc/20/41/73/496204173.db2.gz HATRNBJIAVRGRJ-QGZVFWFLSA-N 0 0 361.442 3.057 10 5 FGBERN CC[C@H](NS(=O)(=O)c1cccc(COC)c1)c1cccc([N+](=O)[O-])c1 ZINC000175114016 496253066 /nfs/dbraw/zinc/25/30/66/496253066.db2.gz NGSMNHPASHRGHY-KRWDZBQOSA-N 0 0 364.423 3.171 10 5 FGBERN CCc1nccn1[C@@H]1CCCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184207928 496286222 /nfs/dbraw/zinc/28/62/22/496286222.db2.gz NSKLDVRSYPUZFM-CQSZACIVSA-N 0 0 362.405 3.339 10 5 FGBERN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N(C)C1CCC1 ZINC000172697250 496390755 /nfs/dbraw/zinc/39/07/55/496390755.db2.gz XDBBWJCSLYFFBR-HNNXBMFYSA-N 0 0 367.833 3.014 10 5 FGBERN CC[C@@H](NC(=O)NCc1nc2ccccc2n1C)c1cccc([N+](=O)[O-])c1 ZINC000175618799 496467343 /nfs/dbraw/zinc/46/73/43/496467343.db2.gz XCZMUOCPNPKSGN-OAHLLOKOSA-N 0 0 367.409 3.432 10 5 FGBERN CC(C)c1nnc2n1C[C@H](NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)CC2 ZINC000187529042 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CC[C@@H](NC(=O)C(=O)Nc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000178053806 496306331 /nfs/dbraw/zinc/30/63/31/496306331.db2.gz AUDIRVATBIXDLK-OAHLLOKOSA-N 0 0 363.320 3.079 10 5 FGBERN C[C@@H]1CC[C@@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000162810590 496415273 /nfs/dbraw/zinc/41/52/73/496415273.db2.gz QMTOSUCLFQOLRX-FZKQIMNGSA-N 0 0 367.405 3.079 10 5 FGBERN CC[C@H](NC(=O)C(=O)Nc1cc(C)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000153464385 496464543 /nfs/dbraw/zinc/46/45/43/496464543.db2.gz IBVGXXJSYALRLT-INIZCTEOSA-N 0 0 359.357 3.248 10 5 FGBERN CCCC(=O)N[C@H]1CCCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000187544141 496483874 /nfs/dbraw/zinc/48/38/74/496483874.db2.gz VDQNTDIFZYSREY-HNNXBMFYSA-N 0 0 361.442 3.239 10 5 FGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000184951142 496597982 /nfs/dbraw/zinc/59/79/82/496597982.db2.gz IJASNMXPGDWBKT-GPZRYRNASA-N 0 0 353.378 3.073 10 5 FGBERN CCCc1n[nH]c(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)c1[N+](=O)[O-] ZINC000168553456 496710582 /nfs/dbraw/zinc/71/05/82/496710582.db2.gz VGPCEMJRVUNJEP-GFCCVEGCSA-N 0 0 370.331 3.174 10 5 FGBERN Cc1ccc2c(c1)[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H](C)C2 ZINC000182323263 496729582 /nfs/dbraw/zinc/72/95/82/496729582.db2.gz HZWBKYUXDIOIRP-UGSOOPFHSA-N 0 0 367.405 3.200 10 5 FGBERN Cc1csc([C@@H]2CCCN(CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000195331963 496893296 /nfs/dbraw/zinc/89/32/96/496893296.db2.gz VGHYGIJAXDKGOK-CQSZACIVSA-N 0 0 374.466 3.486 10 5 FGBERN CCn1cc(C2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)cn1 ZINC000195500433 496940850 /nfs/dbraw/zinc/94/08/50/496940850.db2.gz GTOWCDRYJXOGMC-UHFFFAOYSA-N 0 0 372.425 3.057 10 5 FGBERN CCOC(=O)C1CCN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 ZINC000205985262 496973898 /nfs/dbraw/zinc/97/38/98/496973898.db2.gz IZBQJRPPTBVGJV-UHFFFAOYSA-N 0 0 361.423 3.498 10 5 FGBERN O=C1OCCN1c1cc([N+](=O)[O-])ccc1N[C@H]1CCN(c2ccccc2)C1 ZINC000266177541 497273864 /nfs/dbraw/zinc/27/38/64/497273864.db2.gz ACRSTEOYTAHYJT-AWEZNQCLSA-N 0 0 368.393 3.242 10 5 FGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CCCc2ccccc21 ZINC000193401530 497370007 /nfs/dbraw/zinc/37/00/07/497370007.db2.gz PEXGTTZZZGAFFP-KRWDZBQOSA-N 0 0 355.394 3.480 10 5 FGBERN CCn1cc([C@H]2CN(C(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)CCO2)cn1 ZINC000190344114 497443867 /nfs/dbraw/zinc/44/38/67/497443867.db2.gz SDXDFZNWMCXGBV-QGZVFWFLSA-N 0 0 373.413 3.033 10 5 FGBERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000246169763 497646355 /nfs/dbraw/zinc/64/63/55/497646355.db2.gz PQPBTTDDAGSSPT-VQISRLSMSA-N 0 0 366.801 3.195 10 5 FGBERN O=C(CCCNc1ncc([N+](=O)[O-])cc1Cl)N1CCc2ccccc2C1 ZINC000301297464 498044837 /nfs/dbraw/zinc/04/48/37/498044837.db2.gz YKLGCVDOSJZYRB-UHFFFAOYSA-N 0 0 374.828 3.420 10 5 FGBERN Cc1ccc([C@@](C)(O)CNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)o1 ZINC000301447636 498114361 /nfs/dbraw/zinc/11/43/61/498114361.db2.gz WEFVGIFCZIGTSX-IBGZPJMESA-N 0 0 373.409 3.052 10 5 FGBERN CCCC(=O)N[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000301550459 498159478 /nfs/dbraw/zinc/15/94/78/498159478.db2.gz FVLNEZBTLDQAAI-LLVKDONJSA-N 0 0 370.247 3.242 10 5 FGBERN CCOC(=O)c1cc(Cl)cc(I)c1[N+](=O)[O-] ZINC000575701023 505990866 /nfs/dbraw/zinc/99/08/66/505990866.db2.gz GMLNFCVGEWXVIV-UHFFFAOYSA-N 0 0 355.515 3.030 10 5 FGBERN NC(=O)C1CCC(CNc2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000301660768 498211552 /nfs/dbraw/zinc/21/15/52/498211552.db2.gz JMQLENFYESXQRV-UHFFFAOYSA-N 0 0 356.220 3.061 10 5 FGBERN COC(=O)c1cc(NCCc2nc3cc(F)ccc3[nH]2)cc(C)c1[N+](=O)[O-] ZINC000301717732 498237243 /nfs/dbraw/zinc/23/72/43/498237243.db2.gz LAANTTONYWVOLA-UHFFFAOYSA-N 0 0 372.356 3.360 10 5 FGBERN CN(C)c1cc(CNc2cc(CO)ccc2[N+](=O)[O-])c2ccccc2n1 ZINC000301982800 498355558 /nfs/dbraw/zinc/35/55/58/498355558.db2.gz ANUBSFXKPOSICF-UHFFFAOYSA-N 0 0 352.394 3.313 10 5 FGBERN COC(=O)[C@@]12CCC[C@H]1CN(c1cc(C)nc3c1cccc3[N+](=O)[O-])C2 ZINC000302063074 498391535 /nfs/dbraw/zinc/39/15/35/498391535.db2.gz AATRKNCLTJSKRQ-ORAYPTAESA-N 0 0 355.394 3.231 10 5 FGBERN Cc1ncc(CN2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)CC2)s1 ZINC000172179064 705410003 /nfs/dbraw/zinc/41/00/03/705410003.db2.gz ULQUINIEXWRRLF-UHFFFAOYSA-N 0 0 366.874 3.331 10 5 FGBERN CCc1nc(C2(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)CCCC2)no1 ZINC000175157235 705534933 /nfs/dbraw/zinc/53/49/33/705534933.db2.gz NJLQYJWCYSTZCW-UHFFFAOYSA-N 0 0 364.789 3.393 10 5 FGBERN C[C@H](CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000194970607 713541621 /nfs/dbraw/zinc/54/16/21/713541621.db2.gz CVEGIEHKRSLFRT-SNVBAGLBSA-N 0 0 371.821 3.281 10 5 FGBERN CCC[C@H]1C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000231691813 713578343 /nfs/dbraw/zinc/57/83/43/713578343.db2.gz OLDADTADJRYOQL-QPUJVOFHSA-N 0 0 374.178 3.118 10 5 FGBERN O=[N+]([O-])c1ccc(F)cc1CN1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246853828 713631914 /nfs/dbraw/zinc/63/19/14/713631914.db2.gz VRWSWWHPENCKDP-GUYCJALGSA-N 0 0 352.312 3.320 10 5 FGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000176422486 257364929 /nfs/dbraw/zinc/36/49/29/257364929.db2.gz CCXXECIOZMBOQW-HNNXBMFYSA-N 0 0 373.388 3.029 10 5 FGBERN CCc1csc([C@H]2CCCN(C(=O)Nc3ccncc3[N+](=O)[O-])C2)n1 ZINC000183581763 257367873 /nfs/dbraw/zinc/36/78/73/257367873.db2.gz RSTAPCMWAFWMQI-NSHDSACASA-N 0 0 361.427 3.420 10 5 FGBERN Cc1cc(C)n(-c2ncnc(N3CCCc4ccccc43)c2[N+](=O)[O-])n1 ZINC000040647617 132948072 /nfs/dbraw/zinc/94/80/72/132948072.db2.gz DDZASKMWVBZRGP-UHFFFAOYSA-N 0 0 350.382 3.272 10 5 FGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000101669368 222280387 /nfs/dbraw/zinc/28/03/87/222280387.db2.gz MSXCFZTXLXRION-UHFFFAOYSA-N 0 0 360.282 3.280 10 5 FGBERN Cc1nc2n(n1)CCC[C@H]2Nc1ccc([N+](=O)[O-])cc1Br ZINC000081014364 493814173 /nfs/dbraw/zinc/81/41/73/493814173.db2.gz YXHBONGXTSDORF-GFCCVEGCSA-N 0 0 352.192 3.204 10 5 FGBERN CC[C@H](NC(=O)N[C@H]1COc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000090529073 494479157 /nfs/dbraw/zinc/47/91/57/494479157.db2.gz HKKVFCVEHGRGMG-WBVHZDCISA-N 0 0 355.394 3.349 10 5 FGBERN CC[C@H](NC(=O)N[C@H]1c2ccccc2C[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000090687879 494493634 /nfs/dbraw/zinc/49/36/34/494493634.db2.gz AWTSRYZAOWQSGU-BZSNNMDCSA-N 0 0 355.394 3.003 10 5 FGBERN Cc1cc(C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)ccc1[N+](=O)[O-] ZINC000091777107 494676639 /nfs/dbraw/zinc/67/66/39/494676639.db2.gz UFFBJUSZLRESSU-DYVFJYSZSA-N 0 0 362.332 3.130 10 5 FGBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCC[C@H]1c1ccco1 ZINC000116576998 494819773 /nfs/dbraw/zinc/81/97/73/494819773.db2.gz DCGVMQWZGLWOIS-ZDUSSCGKSA-N 0 0 363.757 3.143 10 5 FGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(F)(F)F)cc1 ZINC000122002093 494907703 /nfs/dbraw/zinc/90/77/03/494907703.db2.gz KOJYRGCLRLIOIT-CQSZACIVSA-N 0 0 374.340 3.047 10 5 FGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000094128145 494952546 /nfs/dbraw/zinc/95/25/46/494952546.db2.gz DGRYSKKPCUKYSH-CYBMUJFWSA-N 0 0 361.423 3.190 10 5 FGBERN CC(C)(C)OC(=O)N1CCC(CCOc2ccc([N+](=O)[O-])cn2)CC1 ZINC000095083752 494959112 /nfs/dbraw/zinc/95/91/12/494959112.db2.gz CSUWKNIHLWZWNB-UHFFFAOYSA-N 0 0 351.403 3.406 10 5 FGBERN CCO[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C12CCCC2 ZINC000125656136 495477931 /nfs/dbraw/zinc/47/79/31/495477931.db2.gz SAZWQIHGNJNEHZ-CVEARBPZSA-N 0 0 368.455 3.148 10 5 FGBERN Cc1csc([C@H]2CCCN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000173488522 495553736 /nfs/dbraw/zinc/55/37/36/495553736.db2.gz YQYXAFDHLQICLO-HNNXBMFYSA-N 0 0 374.466 3.491 10 5 FGBERN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)c1cccs1 ZINC000185400377 495563975 /nfs/dbraw/zinc/56/39/75/495563975.db2.gz BSIILYRKWVZWAD-JTQLQIEISA-N 0 0 363.420 3.244 10 5 FGBERN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000154361724 495592343 /nfs/dbraw/zinc/59/23/43/495592343.db2.gz BUACGOOYPZMQLI-WMLDXEAASA-N 0 0 373.409 3.105 10 5 FGBERN C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nnc2n1CCCC2 ZINC000179573054 495645493 /nfs/dbraw/zinc/64/54/93/495645493.db2.gz GSUATHGTSYOBGA-JTQLQIEISA-N 0 0 371.422 3.228 10 5 FGBERN Cc1nc(C[C@H]2CCCN(C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)C2)no1 ZINC000170899173 495647087 /nfs/dbraw/zinc/64/70/87/495647087.db2.gz FDTZLRNJSYQOLE-GXTWGEPZSA-N 0 0 373.413 3.012 10 5 FGBERN COc1cc(S(=O)(=O)N[C@@H](C)c2ccc(C)c(F)c2)ccc1[N+](=O)[O-] ZINC000150838342 495650279 /nfs/dbraw/zinc/65/02/79/495650279.db2.gz OKCUAPGZPMCEQY-NSHDSACASA-N 0 0 368.386 3.090 10 5 FGBERN CCOC(=O)C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccccc1C ZINC000173822662 495707382 /nfs/dbraw/zinc/70/73/82/495707382.db2.gz KRGNYIRMYIOIAT-CQSZACIVSA-N 0 0 362.407 3.389 10 5 FGBERN C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(-n2ccnc2)c1 ZINC000173916284 495745817 /nfs/dbraw/zinc/74/58/17/495745817.db2.gz LWVSRVSHZYYHBE-CQSZACIVSA-N 0 0 350.378 3.200 10 5 FGBERN CC[C@@H](NC(=O)NC[C@@H](O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000176689466 495748761 /nfs/dbraw/zinc/74/87/61/495748761.db2.gz UNAUXPIDFQGMMR-IAGOWNOFSA-N 0 0 361.373 3.218 10 5 FGBERN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2cccc(-n3ccnc3)c2)c1 ZINC000173936364 495754538 /nfs/dbraw/zinc/75/45/38/495754538.db2.gz NPOXTRPOLYLYDM-ZDUSSCGKSA-N 0 0 366.377 3.280 10 5 FGBERN Cc1nc(C[C@H]2CCCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)no1 ZINC000171337006 495827146 /nfs/dbraw/zinc/82/71/46/495827146.db2.gz KIDOBRUJSILAAE-LLVKDONJSA-N 0 0 364.789 3.035 10 5 FGBERN Cc1nccn1C[C@@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180133375 495873073 /nfs/dbraw/zinc/87/30/73/495873073.db2.gz HBFUACVUQIRGJN-HNNXBMFYSA-N 0 0 366.368 3.366 10 5 FGBERN O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000183368796 495949636 /nfs/dbraw/zinc/94/96/36/495949636.db2.gz XALVZVRASBCKHN-GOSISDBHSA-N 0 0 360.435 3.134 10 5 FGBERN C[C@H](NC(=O)Nc1ccncc1[N+](=O)[O-])c1cccc(-n2ccnc2)c1 ZINC000183646353 496060448 /nfs/dbraw/zinc/06/04/48/496060448.db2.gz NQRDQXVTBMQLTP-LBPRGKRZSA-N 0 0 352.354 3.058 10 5 FGBERN CCc1n[nH]c(C(=O)N[C@H](C)c2ccc(OCC(C)C)cc2)c1[N+](=O)[O-] ZINC000177455639 496068116 /nfs/dbraw/zinc/06/81/16/496068116.db2.gz NHYGQJSXLDSOAP-GFCCVEGCSA-N 0 0 360.414 3.406 10 5 FGBERN O=C(c1cc2ccccc2c2cccnc12)N1CCO[C@@H](Cn2cccn2)C1 ZINC000171883570 496073841 /nfs/dbraw/zinc/07/38/41/496073841.db2.gz ZYRYFYTXFRHPOR-QGZVFWFLSA-N 0 0 372.428 3.126 10 5 FGBERN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000174874523 496143489 /nfs/dbraw/zinc/14/34/89/496143489.db2.gz FONZUBKFDZGRDV-YJBOKZPZSA-N 0 0 355.394 3.027 10 5 FGBERN CC[C@H](NC(=O)[C@@H](C)NC(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000177791723 496197941 /nfs/dbraw/zinc/19/79/41/496197941.db2.gz HVLJDNDXJXDNRS-DYVFJYSZSA-N 0 0 370.409 3.372 10 5 FGBERN CC[C@@H](NC(=O)Cn1ccc(=O)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000177804462 496202991 /nfs/dbraw/zinc/20/29/91/496202991.db2.gz GJAPUQZQNULBIL-QGZVFWFLSA-N 0 0 365.389 3.177 10 5 FGBERN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000175174789 496278343 /nfs/dbraw/zinc/27/83/43/496278343.db2.gz FCHZLOKRCIAAJX-AWEZNQCLSA-N 0 0 360.414 3.140 10 5 FGBERN CC[C@H](NC(=O)Nc1nc(SC)ns1)c1cccc([N+](=O)[O-])c1 ZINC000156807276 496337938 /nfs/dbraw/zinc/33/79/38/496337938.db2.gz JLLOLZRRVBMCGO-JTQLQIEISA-N 0 0 353.429 3.441 10 5 FGBERN CC(C)c1nnc2n1C[C@@H](NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)CC2 ZINC000187529062 496478212 /nfs/dbraw/zinc/47/82/12/496478212.db2.gz YRAZZZWLZBGUGF-AWEZNQCLSA-N 0 0 371.441 3.178 10 5 FGBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187629869 496514919 /nfs/dbraw/zinc/51/49/19/496514919.db2.gz QRCWHFXIRAQLIJ-FZMZJTMJSA-N 0 0 366.826 3.158 10 5 FGBERN CSc1cccc(C(=O)N2CCC(Cn3cccn3)CC2)c1[N+](=O)[O-] ZINC000188169595 496707488 /nfs/dbraw/zinc/70/74/88/496707488.db2.gz QZLNEORFRLVHML-UHFFFAOYSA-N 0 0 360.439 3.066 10 5 FGBERN Nc1c(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)cc(F)cc1[N+](=O)[O-] ZINC000168475842 496710591 /nfs/dbraw/zinc/71/05/91/496710591.db2.gz INWWBJGIPMSLJE-CYBMUJFWSA-N 0 0 371.290 3.220 10 5 FGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(OCC(C)C)cc2)n1 ZINC000191668496 496850535 /nfs/dbraw/zinc/85/05/35/496850535.db2.gz JGAVCROUQHVOPL-ZDUSSCGKSA-N 0 0 360.414 3.337 10 5 FGBERN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000191977180 496950966 /nfs/dbraw/zinc/95/09/66/496950966.db2.gz SAANQLFIWMTWNB-CYBMUJFWSA-N 0 0 350.396 3.330 10 5 FGBERN CCc1nn(C)c(CC)c1CC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000188967299 496962891 /nfs/dbraw/zinc/96/28/91/496962891.db2.gz IIDHCAASDDMCBG-MRXNPFEDSA-N 0 0 358.442 3.263 10 5 FGBERN O=[N+]([O-])c1cnc(N2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)s1 ZINC000192505664 497134610 /nfs/dbraw/zinc/13/46/10/497134610.db2.gz YMDHNFXCVSRMIT-QWRGUYRKSA-N 0 0 359.329 3.382 10 5 FGBERN O=[N+]([O-])c1cnc(NC[C@H](O)c2ccc(OC(F)F)cc2)c(Cl)c1 ZINC000301254516 498023177 /nfs/dbraw/zinc/02/31/77/498023177.db2.gz CVAWHAABWFDWCK-LBPRGKRZSA-N 0 0 359.716 3.390 10 5 FGBERN CC(C)(CNc1nc2ccccn2c(=O)c1[N+](=O)[O-])c1cccc(F)c1 ZINC000301257899 498024417 /nfs/dbraw/zinc/02/44/17/498024417.db2.gz CCRICLKFOLLWPV-UHFFFAOYSA-N 0 0 356.357 3.132 10 5 FGBERN Cc1cccc(NC2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)n1 ZINC000301276691 498033539 /nfs/dbraw/zinc/03/35/39/498033539.db2.gz IZPCZJBYNAUBCU-UHFFFAOYSA-N 0 0 357.370 3.287 10 5 FGBERN C[C@@H]1C[C@@H]1[C@H](Nc1nc2ccccn2c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC000301298570 498046791 /nfs/dbraw/zinc/04/67/91/498046791.db2.gz PZVMDISWUQRTML-IVMMDQJWSA-N 0 0 350.378 3.412 10 5 FGBERN NC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000301306650 498050610 /nfs/dbraw/zinc/05/06/10/498050610.db2.gz ZCPPGVAJURIRAG-CQSZACIVSA-N 0 0 370.192 3.146 10 5 FGBERN Cc1cc(Nc2cnn(-c3ncccn3)c2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301391544 498090157 /nfs/dbraw/zinc/09/01/57/498090157.db2.gz ZVHRNUYQVPUOGZ-UHFFFAOYSA-N 0 0 374.364 3.080 10 5 FGBERN CC[C@H](Cc1ccc(C)cc1)Nc1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301453445 498117081 /nfs/dbraw/zinc/11/70/81/498117081.db2.gz GQGFOTLVPYPIQV-OAHLLOKOSA-N 0 0 352.394 3.344 10 5 FGBERN C[C@@H](CNc1nc2ccccn2c(=O)c1[N+](=O)[O-])Sc1ccccc1 ZINC000301470129 498123600 /nfs/dbraw/zinc/12/36/00/498123600.db2.gz OLRNFRQMURXTDR-LBPRGKRZSA-N 0 0 356.407 3.195 10 5 FGBERN CCS[C@@H]1CC[C@@]1(O)CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000301481556 498128195 /nfs/dbraw/zinc/12/81/95/498128195.db2.gz FBGWWACDBPYWEJ-CHWSQXEVSA-N 0 0 361.261 3.416 10 5 FGBERN CCOc1cc(OC(F)F)cc(I)c1[N+](=O)[O-] ZINC000575656112 505988063 /nfs/dbraw/zinc/98/80/63/505988063.db2.gz DJDAAUOCGNMASD-UHFFFAOYSA-N 0 0 359.066 3.200 10 5 FGBERN O=C1C[C@H](CNc2ccc(F)cc2[N+](=O)[O-])CN1CCc1ccccc1 ZINC000301550214 498159181 /nfs/dbraw/zinc/15/91/81/498159181.db2.gz GOEMOGBPSKABIX-OAHLLOKOSA-N 0 0 357.385 3.237 10 5 FGBERN CC(=O)c1ccc(I)c(OC(F)F)c1[N+](=O)[O-] ZINC000575663668 505988524 /nfs/dbraw/zinc/98/85/24/505988524.db2.gz HHEYTIHFNBUYQR-UHFFFAOYSA-N 0 0 357.050 3.003 10 5 FGBERN CC(=O)c1c(I)c(OC(F)F)ccc1[N+](=O)[O-] ZINC000575663998 505988937 /nfs/dbraw/zinc/98/89/37/505988937.db2.gz 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ZINC000191499982 496786033 /nfs/dbraw/zinc/78/60/33/496786033.db2.gz JJTRUGASLMURQU-VIFPVBQESA-N 0 0 367.203 3.065 10 5 FGBERN CCn1cc([C@H]2CN(Cc3cc(Cl)ccc3[N+](=O)[O-])CCO2)cn1 ZINC000191703751 496860588 /nfs/dbraw/zinc/86/05/88/496860588.db2.gz SSNPBCKNQAARGU-MRXNPFEDSA-N 0 0 350.806 3.038 10 5 FGBERN Cc1nc(C[C@H]2CCCN(c3ccc4ncccc4c3[N+](=O)[O-])C2)no1 ZINC000264941942 497014996 /nfs/dbraw/zinc/01/49/96/497014996.db2.gz RZTTUYHSBLYSIS-CYBMUJFWSA-N 0 0 353.382 3.294 10 5 FGBERN C[C@H]1COC[C@H](C)N1C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000192592147 497158333 /nfs/dbraw/zinc/15/83/33/497158333.db2.gz AYOHUNFGYGEKRT-GJZGRUSLSA-N 0 0 370.405 3.423 10 5 FGBERN CC(C)c1nc([C@@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])no1 ZINC000193843599 497499576 /nfs/dbraw/zinc/49/95/76/497499576.db2.gz QGBYPSYDRAFTGJ-ZDUSSCGKSA-N 0 0 361.358 3.347 10 5 FGBERN Cc1cc(N[C@@H](C)C(=O)NC(C)(C)C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301226217 498008458 /nfs/dbraw/zinc/00/84/58/498008458.db2.gz 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ZINC000575657715 505988173 /nfs/dbraw/zinc/98/81/73/505988173.db2.gz OISOKEPDCVSUAM-UHFFFAOYSA-N 0 0 359.066 3.200 10 5 FGBERN CCOC(=O)c1c(I)cc(Cl)cc1[N+](=O)[O-] ZINC000575701608 505991618 /nfs/dbraw/zinc/99/16/18/505991618.db2.gz RAPVXVPJZAFXBB-UHFFFAOYSA-N 0 0 355.515 3.030 10 5 FGBERN COc1cc(F)cc(Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])c1 ZINC000301653821 498208627 /nfs/dbraw/zinc/20/86/27/498208627.db2.gz RHSNWDRLSGCGLP-UHFFFAOYSA-N 0 0 370.340 3.451 10 5 FGBERN CCOC(=O)[C@@]1(C)CCN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000301774796 498259096 /nfs/dbraw/zinc/25/90/96/498259096.db2.gz QMFRTHBLYRBDAR-AWEZNQCLSA-N 0 0 357.204 3.137 10 5 FGBERN CS(=O)(=O)c1cc(N[C@@H]2CCOc3ccc(F)cc32)ccc1[N+](=O)[O-] ZINC000301780511 498261022 /nfs/dbraw/zinc/26/10/22/498261022.db2.gz INHLIKRHAPJBTG-CYBMUJFWSA-N 0 0 366.370 3.073 10 5 FGBERN CNC(=O)[C@H](Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])C(C)C ZINC000301793991 498266547 /nfs/dbraw/zinc/26/65/47/498266547.db2.gz SDKLIQYUHQXWDE-LLVKDONJSA-N 0 0 353.728 3.450 10 5 FGBERN COc1cc(N2CCC(c3noc(C4CC4)n3)CC2)c(F)cc1[N+](=O)[O-] ZINC000302178561 498430675 /nfs/dbraw/zinc/43/06/75/498430675.db2.gz PLJLTSSKZMXAEM-UHFFFAOYSA-N 0 0 362.361 3.387 10 5 FGBERN O=C(NC[C@H]1CCCO1)c1cccc(CNc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000302787608 498574713 /nfs/dbraw/zinc/57/47/13/498574713.db2.gz BBVJTJCBOXTPRC-MRXNPFEDSA-N 0 0 373.384 3.255 10 5 FGBERN Cc1ccc(C(=O)N2CCN(c3cc(F)ccc3[N+](=O)[O-])CC2)cc1F ZINC000302787663 498574731 /nfs/dbraw/zinc/57/47/31/498574731.db2.gz BISGVJLPVROHTR-UHFFFAOYSA-N 0 0 361.348 3.144 10 5 FGBERN C[C@@H]1CN(c2ccc(CNc3cc(F)ccc3[N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000302788447 498576405 /nfs/dbraw/zinc/57/64/05/498576405.db2.gz CIRVCUUTQDCQMQ-BETUJISGSA-N 0 0 360.389 3.355 10 5 FGBERN O=C([O-])c1ccnc(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000379615468 499542281 /nfs/dbraw/zinc/54/22/81/499542281.db2.gz JWXXILSRZOJZLU-HNNXBMFYSA-N 0 0 370.409 3.155 10 5 FGBERN Cc1ccc([C@@H](C)OC(=O)[C@H](C)NC(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000084851921 700363873 /nfs/dbraw/zinc/36/38/73/700363873.db2.gz CIGLRBLGOHPKMW-NWDGAFQWSA-N 0 0 362.407 3.387 10 5 FGBERN CC[C@@H](C)OC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000121656815 700677261 /nfs/dbraw/zinc/67/72/61/700677261.db2.gz NCAXXYTXWYGWRJ-QMTHXVAHSA-N 0 0 356.806 3.344 10 5 FGBERN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OC1CCC1 ZINC000175199019 705536409 /nfs/dbraw/zinc/53/64/09/705536409.db2.gz AKHYHIGWOGKCGV-AWEZNQCLSA-N 0 0 354.790 3.098 10 5 FGBERN C[C@H](COCc1ccccc1)NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000175289112 705541459 /nfs/dbraw/zinc/54/14/59/705541459.db2.gz QCTSRNADQGEPSB-LLVKDONJSA-N 0 0 350.321 3.208 10 5 FGBERN C[C@@H]1[C@@H](C(F)(F)F)OCCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000912526883 757344583 /nfs/dbraw/zinc/34/45/83/757344583.db2.gz QKCIBDKRBFPQRO-KBUNVGBDSA-N 0 0 370.686 3.179 10 5 FGBERN CCc1ccc(NC(=O)c2cc(-n3cc([N+](=O)[O-])cn3)cnc2C)cc1 ZINC000020192614 220317753 /nfs/dbraw/zinc/31/77/53/220317753.db2.gz LWHQVPBYGMIEBP-UHFFFAOYSA-N 0 0 351.366 3.299 10 5 FGBERN O=[N+]([O-])c1ccc2c(c1)N(c1cccc[n+]1[O-])CC(C(F)F)(C(F)F)O2 ZINC000001886495 132382595 /nfs/dbraw/zinc/38/25/95/132382595.db2.gz LIKAVDUPUINJPY-UHFFFAOYSA-N 0 0 373.262 3.028 10 5 FGBERN C[C@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000027912073 493767043 /nfs/dbraw/zinc/76/70/43/493767043.db2.gz AZFSVEWNCPMWBS-KSSFIOAISA-N 0 0 361.442 3.128 10 5 FGBERN CCc1ccc(C(=O)N[C@H](CC(=O)OC)c2ccccc2)cc1[N+](=O)[O-] ZINC000081826307 493960803 /nfs/dbraw/zinc/96/08/03/493960803.db2.gz BTPYDBSUWYNYEH-MRXNPFEDSA-N 0 0 356.378 3.191 10 5 FGBERN O=[N+]([O-])c1ccc(Cc2nc(-c3cncc(Br)c3)n[nH]2)cc1 ZINC000072236659 494145150 /nfs/dbraw/zinc/14/51/50/494145150.db2.gz RXPNWKNJMGARFD-UHFFFAOYSA-N 0 0 360.171 3.128 10 5 FGBERN C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000087003154 494161562 /nfs/dbraw/zinc/16/15/62/494161562.db2.gz YZZBZYZJEPJLOC-CYBMUJFWSA-N 0 0 356.378 3.176 10 5 FGBERN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1F ZINC000088825946 494265734 /nfs/dbraw/zinc/26/57/34/494265734.db2.gz MCEPZQFDCLBBCO-LBPRGKRZSA-N 0 0 359.357 3.167 10 5 FGBERN CC(C)Oc1cccc(C(=O)N2CCN=Cc3cc([N+](=O)[O-])ccc32)c1 ZINC000073642364 494406626 /nfs/dbraw/zinc/40/66/26/494406626.db2.gz HWGDUZBIBYETEX-UHFFFAOYSA-N 0 0 353.378 3.461 10 5 FGBERN CCC(CC)NC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000046082353 494493257 /nfs/dbraw/zinc/49/32/57/494493257.db2.gz WPROCQOQGGDWIA-HNNXBMFYSA-N 0 0 369.849 3.307 10 5 FGBERN Cc1ccc(C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000091763687 494670914 /nfs/dbraw/zinc/67/09/14/494670914.db2.gz GWPTZRAGKWLDBM-GUYCJALGSA-N 0 0 362.332 3.130 10 5 FGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000092604148 494684158 /nfs/dbraw/zinc/68/41/58/494684158.db2.gz DQGAOLNSXJBMGZ-MRXNPFEDSA-N 0 0 355.394 3.209 10 5 FGBERN Cc1cnn(C[C@H]2CN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CCO2)c1 ZINC000108950089 494809354 /nfs/dbraw/zinc/80/93/54/494809354.db2.gz CZOBLAGUXJQRTG-CYBMUJFWSA-N 0 0 370.331 3.024 10 5 FGBERN CN(C[C@H]1CCCN1c1cccnn1)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000108946818 494809381 /nfs/dbraw/zinc/80/93/81/494809381.db2.gz MRNBHWPBZRTTRG-MRXNPFEDSA-N 0 0 364.409 3.038 10 5 FGBERN Cc1cnn(C[C@@H]2CN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CCO2)c1 ZINC000108950087 494810321 /nfs/dbraw/zinc/81/03/21/494810321.db2.gz CZOBLAGUXJQRTG-ZDUSSCGKSA-N 0 0 370.331 3.024 10 5 FGBERN CS(=O)(=O)c1cccc(N2CC=C(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000121782879 494858978 /nfs/dbraw/zinc/85/89/78/494858978.db2.gz ZSQKXYXRXBINRB-UHFFFAOYSA-N 0 0 358.419 3.292 10 5 FGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000127031801 494882539 /nfs/dbraw/zinc/88/25/39/494882539.db2.gz NLPDIZKZZFAWBO-CQSZACIVSA-N 0 0 374.422 3.052 10 5 FGBERN Cc1nc(CN2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3C)CC2)cs1 ZINC000109650222 494901179 /nfs/dbraw/zinc/90/11/79/494901179.db2.gz JDFIOZANONHQQW-UHFFFAOYSA-N 0 0 374.466 3.016 10 5 FGBERN CN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1ncccc1[N+](=O)[O-] ZINC000095074997 494958081 /nfs/dbraw/zinc/95/80/81/494958081.db2.gz HWQISBMTJNJGLN-CYBMUJFWSA-N 0 0 350.419 3.216 10 5 FGBERN CC(C)(C)OC(=O)N1CCC[C@@H]1CNc1cnc2cc([N+](=O)[O-])ccc2n1 ZINC000095085723 494959852 /nfs/dbraw/zinc/95/98/52/494959852.db2.gz BBDSDOQPWSXQRA-CYBMUJFWSA-N 0 0 373.413 3.349 10 5 FGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1c2ccccc2CCC1(C)C ZINC000123505042 495143210 /nfs/dbraw/zinc/14/32/10/495143210.db2.gz JIDIPLRYSPOVSA-SFHVURJKSA-N 0 0 356.426 3.320 10 5 FGBERN O=C(N[C@@H]1COc2ccccc21)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000119662666 495212340 /nfs/dbraw/zinc/21/23/40/495212340.db2.gz QCRVQPZLPAXVGW-QGZVFWFLSA-N 0 0 353.378 3.403 10 5 FGBERN CS(=O)(=O)CCc1ccc(Nc2ccc([N+](=O)[O-])c3cnccc23)cc1 ZINC000120164587 495319718 /nfs/dbraw/zinc/31/97/18/495319718.db2.gz BNLDESOVUKSTEK-UHFFFAOYSA-N 0 0 371.418 3.474 10 5 FGBERN Cc1ccc([N+](=O)[O-])c(NC[C@@H](c2cccs2)N2CCO[C@H](C)C2)n1 ZINC000124849749 495354305 /nfs/dbraw/zinc/35/43/05/495354305.db2.gz HZWHYBRFMGBDCE-HIFRSBDPSA-N 0 0 362.455 3.234 10 5 FGBERN CS(=O)(=O)c1cc(N2CCc3c(Cl)cccc3C2)ccc1[N+](=O)[O-] ZINC000125397850 495438841 /nfs/dbraw/zinc/43/88/41/495438841.db2.gz DOQGUNXDRZJDMR-UHFFFAOYSA-N 0 0 366.826 3.214 10 5 FGBERN C[C@H](Cc1ccsc1)N(C)c1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000125779438 495498212 /nfs/dbraw/zinc/49/82/12/495498212.db2.gz TXQNSMAENQLQLC-LLVKDONJSA-N 0 0 354.453 3.127 10 5 FGBERN CCS[C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000125898792 495515854 /nfs/dbraw/zinc/51/58/54/495515854.db2.gz CQBJIJOUWMKUST-GXTWGEPZSA-N 0 0 358.485 3.475 10 5 FGBERN CCS[C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000125899032 495515967 /nfs/dbraw/zinc/51/59/67/495515967.db2.gz CQBJIJOUWMKUST-JSGCOSHPSA-N 0 0 358.485 3.475 10 5 FGBERN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000154361635 495592818 /nfs/dbraw/zinc/59/28/18/495592818.db2.gz BUACGOOYPZMQLI-RHSMWYFYSA-N 0 0 373.409 3.105 10 5 FGBERN O=[N+]([O-])c1ccccc1OCCNC1(c2noc(C3CC3)n2)CCCC1 ZINC000173713758 495658918 /nfs/dbraw/zinc/65/89/18/495658918.db2.gz GMWKWMOUQPHINH-UHFFFAOYSA-N 0 0 358.398 3.293 10 5 FGBERN CC[C@@H](NC(=O)NC[C@H](O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000176689444 495748584 /nfs/dbraw/zinc/74/85/84/495748584.db2.gz UNAUXPIDFQGMMR-SJORKVTESA-N 0 0 361.373 3.218 10 5 FGBERN CC[C@@H](NC(=O)NC[C@H](O)c1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000176702980 495755445 /nfs/dbraw/zinc/75/54/45/495755445.db2.gz DAXJHKJSQVEEAR-MSOLQXFVSA-N 0 0 373.409 3.087 10 5 FGBERN CC(C)c1nnc2n1C[C@H](Nc1ccc3ncccc3c1[N+](=O)[O-])CC2 ZINC000171364101 495839710 /nfs/dbraw/zinc/83/97/10/495839710.db2.gz PELMPJTWUHLBBM-GFCCVEGCSA-N 0 0 352.398 3.285 10 5 FGBERN Cc1nc(C[C@@H]2CCCN(C(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)no1 ZINC000171575449 495932168 /nfs/dbraw/zinc/93/21/68/495932168.db2.gz GYYQELJFCIVYRI-ZDUSSCGKSA-N 0 0 359.386 3.081 10 5 FGBERN CCC[C@@H](NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)OC(C)(C)C ZINC000183643179 496058853 /nfs/dbraw/zinc/05/88/53/496058853.db2.gz ZYMOWKGWBOHRIT-IAQYHMDHSA-N 0 0 368.405 3.464 10 5 FGBERN CC(C)c1nnc2n1C[C@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)CC2 ZINC000174713882 496074622 /nfs/dbraw/zinc/07/46/22/496074622.db2.gz DMUSVVHRPOWQQS-LLVKDONJSA-N 0 0 367.356 3.338 10 5 FGBERN CN1C(=O)CC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]1c1ccccc1 ZINC000171986669 496118587 /nfs/dbraw/zinc/11/85/87/496118587.db2.gz YRBVSFNWKBABQT-KSSFIOAISA-N 0 0 371.368 3.282 10 5 FGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000174858345 496136418 /nfs/dbraw/zinc/13/64/18/496136418.db2.gz RPFKQWHIKDTOGQ-MAUKXSAKSA-N 0 0 370.405 3.332 10 5 FGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000174858320 496136763 /nfs/dbraw/zinc/13/67/63/496136763.db2.gz RPFKQWHIKDTOGQ-QAPCUYQASA-N 0 0 370.405 3.332 10 5 FGBERN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000174876033 496145260 /nfs/dbraw/zinc/14/52/60/496145260.db2.gz ALWDBIFESDIQKP-KSSFIOAISA-N 0 0 358.369 3.462 10 5 FGBERN CC[C@@H](NC(=O)c1ccc(-n2cncn2)c(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000177805402 496203832 /nfs/dbraw/zinc/20/38/32/496203832.db2.gz YKJQCKQLIFIITF-QGZVFWFLSA-N 0 0 365.393 3.365 10 5 FGBERN Cn1cc([C@H]2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C2)cn1 ZINC000172263278 496234646 /nfs/dbraw/zinc/23/46/46/496234646.db2.gz HFQGMDOHHASEIU-NSHDSACASA-N 0 0 356.407 3.173 10 5 FGBERN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nccs2)cc1[N+](=O)[O-] ZINC000175379449 496363539 /nfs/dbraw/zinc/36/35/39/496363539.db2.gz TVYQBNPMUSEUEW-CYBMUJFWSA-N 0 0 367.452 3.276 10 5 FGBERN CCn1cc(C2CCN(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000157006949 496384370 /nfs/dbraw/zinc/38/43/70/496384370.db2.gz BAOFORNBCLFOAH-CQSZACIVSA-N 0 0 371.441 3.461 10 5 FGBERN C[C@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC000178418747 496449081 /nfs/dbraw/zinc/44/90/81/496449081.db2.gz BYZZIWYZVKUKTD-VIFPVBQESA-N 0 0 372.212 3.159 10 5 FGBERN CCOc1ccc(C(=O)N[C@@H](C)COCc2ccccc2)cc1[N+](=O)[O-] ZINC000172955928 496500192 /nfs/dbraw/zinc/50/01/92/496500192.db2.gz WXDWVVPQSVRXRI-AWEZNQCLSA-N 0 0 358.394 3.329 10 5 FGBERN O=[N+]([O-])c1ccc(N2CC[C@@]3(O)CCCC[C@H]3C2)c(Br)c1 ZINC000227374382 497089725 /nfs/dbraw/zinc/08/97/25/497089725.db2.gz SBJDDUXOGSUBHD-NHYWBVRUSA-N 0 0 355.232 3.489 10 5 FGBERN CC[C@@H](NC(=O)C(=O)Nc1c(C)cccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000193498339 497396954 /nfs/dbraw/zinc/39/69/54/497396954.db2.gz HHMICWUQROSNNY-OAHLLOKOSA-N 0 0 371.393 3.118 10 5 FGBERN CC[C@H](NC(=O)N[C@@H](CO)Cc1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000190238566 497410843 /nfs/dbraw/zinc/41/08/43/497410843.db2.gz DTIRSBOWNPWKCF-MJGOQNOKSA-N 0 0 371.437 3.257 10 5 FGBERN NS(=O)(=O)c1ccc(N[C@@H](c2ccccc2)C2CCC2)c([N+](=O)[O-])c1 ZINC000301210224 498001479 /nfs/dbraw/zinc/00/14/79/498001479.db2.gz UNYMTKYOKOPIJV-KRWDZBQOSA-N 0 0 361.423 3.196 10 5 FGBERN CC[C@@H](C)NC(=O)[C@@H](C)Nc1cc(C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301241979 498016366 /nfs/dbraw/zinc/01/63/66/498016366.db2.gz OPYBRMUCDZIBCS-DGCLKSJQSA-N 0 0 357.414 3.075 10 5 FGBERN COC(=O)c1cc(NC[C@H](O)c2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000301363407 498074622 /nfs/dbraw/zinc/07/46/22/498074622.db2.gz PYFIVHBGJMOONS-HNNXBMFYSA-N 0 0 350.758 3.180 10 5 FGBERN O=C1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CN1CC(F)(F)F ZINC000301453249 498116833 /nfs/dbraw/zinc/11/68/33/498116833.db2.gz AXLGDIDMAZWYJL-MRVPVSSYSA-N 0 0 371.237 3.189 10 5 FGBERN CC(=O)c1cc(OC(F)F)c(I)cc1[N+](=O)[O-] ZINC000575664432 505989328 /nfs/dbraw/zinc/98/93/28/505989328.db2.gz ZOQBVTTVVDRCJF-UHFFFAOYSA-N 0 0 357.050 3.003 10 5 FGBERN CC(=O)c1cc(I)cc([N+](=O)[O-])c1OC(F)F ZINC000575664439 505989370 /nfs/dbraw/zinc/98/93/70/505989370.db2.gz ZTUDBYKIARINNH-UHFFFAOYSA-N 0 0 357.050 3.003 10 5 FGBERN CCOC(=O)Cc1cc(OC(F)F)c([N+](=O)[O-])cc1Br ZINC000575699993 505991017 /nfs/dbraw/zinc/99/10/17/505991017.db2.gz MXKYMMAXQOWAQB-UHFFFAOYSA-N 0 0 354.103 3.064 10 5 FGBERN CCOC(=O)Cc1cc(C(F)(F)F)cc(Br)c1[N+](=O)[O-] ZINC000575699024 505991086 /nfs/dbraw/zinc/99/10/86/505991086.db2.gz AOZCZSOTUUKOPC-UHFFFAOYSA-N 0 0 356.094 3.482 10 5 FGBERN Cc1cc(C)cc(OCCNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)c1 ZINC000301795379 498267289 /nfs/dbraw/zinc/26/72/89/498267289.db2.gz PQUUPCJQNUOEKU-UHFFFAOYSA-N 0 0 364.423 3.106 10 5 FGBERN O=[N+]([O-])c1ccc(NCc2ccnc(O[C@H]3CCOC3)c2)c2ncccc12 ZINC000301855024 498295596 /nfs/dbraw/zinc/29/55/96/498295596.db2.gz BTKBUNALDJLFQQ-AWEZNQCLSA-N 0 0 366.377 3.318 10 5 FGBERN CC(C)C[N@@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1Br ZINC000301879478 498308473 /nfs/dbraw/zinc/30/84/73/498308473.db2.gz ZLJJTMVYSKJKDK-NSHDSACASA-N 0 0 357.252 3.285 10 5 FGBERN O=[N+]([O-])c1ccc(CO)cc1N1CCc2cc(Br)sc2C1 ZINC000302052937 498386652 /nfs/dbraw/zinc/38/66/52/498386652.db2.gz PLSNZWJLICZLSW-UHFFFAOYSA-N 0 0 369.240 3.474 10 5 FGBERN COC(=O)[C@]12CCC[C@@H]1CN(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC000302196724 498437916 /nfs/dbraw/zinc/43/79/16/498437916.db2.gz SVTXIVQELWBASM-ABAIWWIYSA-N 0 0 358.316 3.393 10 5 FGBERN CCn1cc([C@@H]2CN(c3c(C)cc([N+](=O)[O-])cc3Cl)CCO2)cn1 ZINC000302814483 498584357 /nfs/dbraw/zinc/58/43/57/498584357.db2.gz IANPWXPYPDHHIC-HNNXBMFYSA-N 0 0 350.806 3.351 10 5 FGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000302819168 498586811 /nfs/dbraw/zinc/58/68/11/498586811.db2.gz JHBZRAYTWHYWRT-INIZCTEOSA-N 0 0 350.806 3.042 10 5 FGBERN COc1ccc(CN2CCN(c3cc(F)ccc3[N+](=O)[O-])CC2)cc1F ZINC000302827419 498591218 /nfs/dbraw/zinc/59/12/18/498591218.db2.gz BJIOSSGSPRTOMP-UHFFFAOYSA-N 0 0 363.364 3.204 10 5 FGBERN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OC1CCCC1 ZINC000042485566 695781680 /nfs/dbraw/zinc/78/16/80/695781680.db2.gz YQLFNSWRQDEYQU-OAHLLOKOSA-N 0 0 368.817 3.488 10 5 FGBERN Cc1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cs1 ZINC000170497093 705353350 /nfs/dbraw/zinc/35/33/50/705353350.db2.gz NEFYKVCVHJMLQM-MRVPVSSYSA-N 0 0 350.356 3.067 10 5 FGBERN Cn1cc([C@H]2CCCN2Cn2c3cc([N+](=O)[O-])ccc3oc2=S)cn1 ZINC000171360889 705382200 /nfs/dbraw/zinc/38/22/00/705382200.db2.gz VRTZXTARDRFLPE-CYBMUJFWSA-N 0 0 359.411 3.400 10 5 FGBERN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC1CCC1 ZINC000174532610 705507817 /nfs/dbraw/zinc/50/78/17/705507817.db2.gz VDNLVIFLLLBJTA-OAHLLOKOSA-N 0 0 368.817 3.346 10 5 FGBERN C[C@H](CCNc1nc2sccn2c1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000194979466 713541684 /nfs/dbraw/zinc/54/16/84/713541684.db2.gz CLCOMEJBIUBQIK-SECBINFHSA-N 0 0 355.420 3.019 10 5 FGBERN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000827907382 729436848 /nfs/dbraw/zinc/43/68/48/729436848.db2.gz VMPOPERNLGOTIJ-NSHDSACASA-N 0 0 363.805 3.312 10 5 FGBERN Cc1c(C(=O)N[C@H]2CCOc3ccccc32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000023646912 257334800 /nfs/dbraw/zinc/33/48/00/257334800.db2.gz ZIUWBDBWCADWDY-AWEZNQCLSA-N 0 0 357.322 3.065 10 5 FGBERN CCS(=O)(=O)c1cccc(-c2cc(C(=O)OC)c(C)c([N+](=O)[O-])c2)c1 ZINC000095080551 221844471 /nfs/dbraw/zinc/84/44/71/221844471.db2.gz ZGABESXJCIMQSM-UHFFFAOYSA-N 0 0 363.391 3.150 10 5 FGBERN CC(C)(C)OC(=O)N1CCC[C@H]1COc1cnc2cc([N+](=O)[O-])ccc2n1 ZINC000095085876 221847301 /nfs/dbraw/zinc/84/73/01/221847301.db2.gz OHVAZHDVEATMMK-ZDUSSCGKSA-N 0 0 374.397 3.316 10 5 FGBERN CCc1ccc([C@H](C)NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000048799642 493846602 /nfs/dbraw/zinc/84/66/02/493846602.db2.gz WZKHHSGJGFHWPK-ZDUSSCGKSA-N 0 0 355.394 3.282 10 5 FGBERN Cc1ccc([C@H](C)OC(=O)c2ccc(N3CCCC3)nn2)cc1[N+](=O)[O-] ZINC000084809738 494098361 /nfs/dbraw/zinc/09/83/61/494098361.db2.gz GRGAOXONZZLPIC-ZDUSSCGKSA-N 0 0 356.382 3.211 10 5 FGBERN COC(=O)[C@@H](C)[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000072310577 494150877 /nfs/dbraw/zinc/15/08/77/494150877.db2.gz KZNJFNRTIAHJPS-GBGXESKGSA-N 0 0 368.389 3.275 10 5 FGBERN Cc1cc(NC[C@@](C)(O)c2ccco2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000078375611 494288910 /nfs/dbraw/zinc/28/89/10/494288910.db2.gz LDMZNEHLTDTFIL-GOSISDBHSA-N 0 0 354.366 3.273 10 5 FGBERN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000016307251 494383187 /nfs/dbraw/zinc/38/31/87/494383187.db2.gz TUBZWWWQVRGJGL-QGZVFWFLSA-N 0 0 350.378 3.377 10 5 FGBERN CC[C@H](NS(=O)(=O)c1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000090222825 494456328 /nfs/dbraw/zinc/45/63/28/494456328.db2.gz APJKEYNBNQTJJX-AWEZNQCLSA-N 0 0 350.396 3.033 10 5 FGBERN CC[C@H](NC(=O)CCNC(=O)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000090466126 494470486 /nfs/dbraw/zinc/47/04/86/494470486.db2.gz FOBDOTZDCVTCBF-HNNXBMFYSA-N 0 0 361.423 3.044 10 5 FGBERN C[C@H](NC(=O)Nc1ccccc1)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000079630355 494497462 /nfs/dbraw/zinc/49/74/62/494497462.db2.gz YDQFXNVMDFJWLE-ZDUSSCGKSA-N 0 0 370.409 3.156 10 5 FGBERN COc1ccc([C@@H](C)NC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000057004093 494615565 /nfs/dbraw/zinc/61/55/65/494615565.db2.gz QFORRIPXSYLPPO-GFCCVEGCSA-N 0 0 359.382 3.172 10 5 FGBERN CC[C@H](NC(=O)c1cc2c(cc1F)NC(=O)CC2)c1cccc([N+](=O)[O-])c1 ZINC000131502954 494641514 /nfs/dbraw/zinc/64/15/14/494641514.db2.gz LOUURNBAKRGLSW-INIZCTEOSA-N 0 0 371.368 3.500 10 5 FGBERN O=C(N[C@@H]1COc2ccccc21)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000121263727 494672382 /nfs/dbraw/zinc/67/23/82/494672382.db2.gz LWHLAIUDWAOFMP-MRXNPFEDSA-N 0 0 353.378 3.403 10 5 FGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCOc3ccccc32)c(Cl)c1 ZINC000047543291 494729646 /nfs/dbraw/zinc/72/96/46/494729646.db2.gz JRCIRBGEAYGSIA-ZDUSSCGKSA-N 0 0 368.798 3.050 10 5 FGBERN CCOc1ccc(NC(=O)CN2CCC[C@@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000116298892 494755320 /nfs/dbraw/zinc/75/53/20/494755320.db2.gz FYONDAFMPBWVCZ-OAHLLOKOSA-N 0 0 359.382 3.362 10 5 FGBERN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@H]1c1ccco1 ZINC000116355307 494765885 /nfs/dbraw/zinc/76/58/85/494765885.db2.gz VUWIKWKPAXPZCX-NSHDSACASA-N 0 0 356.787 3.367 10 5 FGBERN CC1(C)C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)c2ccccc2O1 ZINC000121761500 494854777 /nfs/dbraw/zinc/85/47/77/494854777.db2.gz HLQPSDQLRKMGAN-MRXNPFEDSA-N 0 0 356.378 3.392 10 5 FGBERN Cc1ccc([C@H](C)OC(=O)CCCNC(=O)c2cccnc2)cc1[N+](=O)[O-] ZINC000132727929 494915470 /nfs/dbraw/zinc/91/54/70/494915470.db2.gz LRQQYNMZGNIBIO-AWEZNQCLSA-N 0 0 371.393 3.113 10 5 FGBERN CCn1cc(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)cn1 ZINC000123746198 495180434 /nfs/dbraw/zinc/18/04/34/495180434.db2.gz WMJFBIYVGLRSPD-UHFFFAOYSA-N 0 0 362.817 3.484 10 5 FGBERN CCOc1cccc(CNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)c1 ZINC000123773729 495184654 /nfs/dbraw/zinc/18/46/54/495184654.db2.gz MDYGLONJRRRAAY-UHFFFAOYSA-N 0 0 350.396 3.009 10 5 FGBERN Cc1ccccc1C1(CNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CC1 ZINC000124474850 495293231 /nfs/dbraw/zinc/29/32/31/495293231.db2.gz OICBQZTUZDETJO-UHFFFAOYSA-N 0 0 360.435 3.450 10 5 FGBERN CS(=O)(=O)c1cc(N2CC=C(c3cccs3)CC2)ccc1[N+](=O)[O-] ZINC000125276647 495418557 /nfs/dbraw/zinc/41/85/57/495418557.db2.gz OAWVQDXCFFZJQW-UHFFFAOYSA-N 0 0 364.448 3.354 10 5 FGBERN CN(Cc1csc([N+](=O)[O-])c1)C[C@H](c1cccs1)N1CCOCC1 ZINC000106160642 495420890 /nfs/dbraw/zinc/42/08/90/495420890.db2.gz YMXVTVDYNIOQAY-CQSZACIVSA-N 0 0 367.496 3.223 10 5 FGBERN C[C@@H](CNc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1)Oc1cccc(F)c1 ZINC000125581947 495466294 /nfs/dbraw/zinc/46/62/94/495466294.db2.gz SRZMZHBQWCOEAU-NSHDSACASA-N 0 0 368.386 3.017 10 5 FGBERN C[C@H](CNc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1)Oc1ccccc1F ZINC000125590026 495467483 /nfs/dbraw/zinc/46/74/83/495467483.db2.gz WPIQNCNIDYMUDA-LLVKDONJSA-N 0 0 368.386 3.017 10 5 FGBERN Cc1cc(S(=O)(=O)N2CCC[C@@H]2c2ccco2)cc([N+](=O)[O-])c1F ZINC000120921355 495485706 /nfs/dbraw/zinc/48/57/06/495485706.db2.gz OQDPYNWBTQBXMB-GFCCVEGCSA-N 0 0 354.359 3.161 10 5 FGBERN CC[C@@H](NC(=O)NCCc1ccc(O)c(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000176222853 495552108 /nfs/dbraw/zinc/55/21/08/495552108.db2.gz YNRKBNXKXNZPQA-MRXNPFEDSA-N 0 0 373.409 3.302 10 5 FGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000176408503 495640910 /nfs/dbraw/zinc/64/09/10/495640910.db2.gz PJYPIJYBCIXOAK-INIZCTEOSA-N 0 0 369.425 3.198 10 5 FGBERN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC(Cn2cccn2)CC1 ZINC000179594498 495653678 /nfs/dbraw/zinc/65/36/78/495653678.db2.gz XACRZOVLJNAAFU-UHFFFAOYSA-N 0 0 356.426 3.269 10 5 FGBERN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCC[C@@H]1c1ccco1 ZINC000182760884 495692791 /nfs/dbraw/zinc/69/27/91/495692791.db2.gz LPRIDJSJSUQDFW-CYBMUJFWSA-N 0 0 363.757 3.143 10 5 FGBERN COc1ccc(C(=O)N[C@H](C)c2cccc(-n3ccnc3)c2)cc1[N+](=O)[O-] ZINC000173933009 495752576 /nfs/dbraw/zinc/75/25/76/495752576.db2.gz RAWSYKQDSGIVBX-CYBMUJFWSA-N 0 0 366.377 3.280 10 5 FGBERN CCOC(=O)C1CCN(C(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000176704916 495756448 /nfs/dbraw/zinc/75/64/48/495756448.db2.gz ZKSGIPCFMJSAQU-MRXNPFEDSA-N 0 0 363.414 3.031 10 5 FGBERN C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1cccc(-n2ccnc2)c1 ZINC000173947983 495759577 /nfs/dbraw/zinc/75/95/77/495759577.db2.gz GJCDATIZQDBTJN-AWEZNQCLSA-N 0 0 366.377 3.037 10 5 FGBERN CCOc1ccc([C@@H](C)[NH2+][C@H]2CCc3nc(C(C)C)nn3C2)cc1[N+](=O)[O-] ZINC000180642056 496083017 /nfs/dbraw/zinc/08/30/17/496083017.db2.gz KNWJFKIREUVTRU-HIFRSBDPSA-N 0 0 373.457 3.374 10 5 FGBERN CN1C(=O)CC[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000171986705 496119894 /nfs/dbraw/zinc/11/98/94/496119894.db2.gz VCRPRUBMECNJRC-AEFFLSMTSA-N 0 0 353.378 3.143 10 5 FGBERN CC[C@@H](NC(=O)c1ccc(C(=O)N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000177788307 496196474 /nfs/dbraw/zinc/19/64/74/496196474.db2.gz PLYOAYCBWNMZCQ-QGZVFWFLSA-N 0 0 355.394 3.178 10 5 FGBERN CC[C@H](NC(=O)c1cnc2c(c1)c(C)nn2C)c1cccc([N+](=O)[O-])c1 ZINC000177795369 496199415 /nfs/dbraw/zinc/19/94/15/496199415.db2.gz HQWKWXZUBMBEMI-INIZCTEOSA-N 0 0 353.382 3.066 10 5 FGBERN CC[C@H](NC(=O)Cc1cc2ccccc2[nH]c1=O)c1cccc([N+](=O)[O-])c1 ZINC000177807783 496205247 /nfs/dbraw/zinc/20/52/47/496205247.db2.gz JFQHYZYHTXZSDT-KRWDZBQOSA-N 0 0 365.389 3.246 10 5 FGBERN COc1cc(CN2CCC[C@@H]2c2c(C)nn(C)c2C)c([N+](=O)[O-])cc1F ZINC000184207751 496286197 /nfs/dbraw/zinc/28/61/97/496286197.db2.gz HJKKHLOWGWYERW-OAHLLOKOSA-N 0 0 362.405 3.430 10 5 FGBERN CC[C@H](NC(=O)C(=O)Nc1ccc(C)cc1C)c1cccc([N+](=O)[O-])c1 ZINC000178053830 496306408 /nfs/dbraw/zinc/30/64/08/496306408.db2.gz MJOFQMJIVACCGE-INIZCTEOSA-N 0 0 355.394 3.418 10 5 FGBERN CC[C@H](NC(=O)C(=O)Nc1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000178056083 496307298 /nfs/dbraw/zinc/30/72/98/496307298.db2.gz JLLAXXPTZTWLQW-AWEZNQCLSA-N 0 0 363.320 3.079 10 5 FGBERN CC[C@@H](NC(=O)C(=O)Nc1ccc(F)c(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000178057535 496308578 /nfs/dbraw/zinc/30/85/78/496308578.db2.gz XSXLRYPQAWZVCZ-MRXNPFEDSA-N 0 0 359.357 3.248 10 5 FGBERN CC[C@H](NC(=O)N[C@@H](C)c1nnc2n1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000153567831 496501329 /nfs/dbraw/zinc/50/13/29/496501329.db2.gz POKBKSYIYCSVQF-WFASDCNBSA-N 0 0 372.429 3.034 10 5 FGBERN Cc1nccn1C[C@H]1CCCN1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000175902557 496595456 /nfs/dbraw/zinc/59/54/56/496595456.db2.gz RKAGIGPQLPAQTN-CXAGYDPISA-N 0 0 357.414 3.035 10 5 FGBERN COc1cc(C(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)cc([N+](=O)[O-])c1C ZINC000191343017 496731986 /nfs/dbraw/zinc/73/19/86/496731986.db2.gz XLULQAQGJNQFOI-HNNXBMFYSA-N 0 0 372.425 3.239 10 5 FGBERN CCn1cnnc1[C@@H]1CCCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000191395910 496748577 /nfs/dbraw/zinc/74/85/77/496748577.db2.gz SGCRXLNVLKAAHU-CQSZACIVSA-N 0 0 372.429 3.235 10 5 FGBERN Cc1csc([C@@H]2CCCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)n1 ZINC000195332002 496893360 /nfs/dbraw/zinc/89/33/60/496893360.db2.gz ZFODFSGTZOPUEC-CQSZACIVSA-N 0 0 374.466 3.486 10 5 FGBERN O=[N+]([O-])c1cccc(OCCN2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)c1 ZINC000246894906 497819220 /nfs/dbraw/zinc/81/92/20/497819220.db2.gz XKJOSYYBBKILBD-KSSFIOAISA-N 0 0 364.348 3.060 10 5 FGBERN Cc1ccc(C[C@@H](C)Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])c(C)c1 ZINC000301201855 497996834 /nfs/dbraw/zinc/99/68/34/497996834.db2.gz MTWIJVKWCUQUBK-CQSZACIVSA-N 0 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O=[N+]([O-])c1ccc(F)cc1NC[C@H](c1cccs1)N1CCOCC1 ZINC000302790783 498576137 /nfs/dbraw/zinc/57/61/37/498576137.db2.gz ACOSRZJDPNZWMZ-OAHLLOKOSA-N 0 0 351.403 3.281 10 5 FGBERN C[C@@H]1CN(c2ccc(CNc3cc(F)ccc3[N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000302788448 498576123 /nfs/dbraw/zinc/57/61/23/498576123.db2.gz CIRVCUUTQDCQMQ-CHWSQXEVSA-N 0 0 360.389 3.355 10 5 FGBERN O=[N+]([O-])c1ccc(F)cc1NC[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000302816846 498586610 /nfs/dbraw/zinc/58/66/10/498586610.db2.gz MABDKSLOSAWDJS-GOSISDBHSA-N 0 0 363.364 3.358 10 5 FGBERN C[C@@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000155148857 705065772 /nfs/dbraw/zinc/06/57/72/705065772.db2.gz JFCGCPRNRCRQQP-PRHODGIISA-N 0 0 358.192 3.046 10 5 FGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cn(C)c2c(F)cccc2c1=O ZINC000041056454 220927825 /nfs/dbraw/zinc/92/78/25/220927825.db2.gz VBSSUFZLMGYEGS-UHFFFAOYSA-N 0 0 355.325 3.147 10 5 FGBERN Cc1ccc(C(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)cc1[N+](=O)[O-] ZINC000176457478 257365653 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Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@@H](C)c1nc2ccccc2s1 ZINC000127951999 700768791 /nfs/dbraw/zinc/76/87/91/700768791.db2.gz AXVZVBTUWXVXCB-JTQLQIEISA-N 0 0 360.395 3.404 10 5 FGBERN Cc1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cs1 ZINC000170497086 705353151 /nfs/dbraw/zinc/35/31/51/705353151.db2.gz CPDVWBLOKJVRKM-QMMMGPOBSA-N 0 0 350.356 3.067 10 5 FGBERN CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000172690677 705427043 /nfs/dbraw/zinc/42/70/43/705427043.db2.gz SQMJCZCGCLKKQX-JQWIXIFHSA-N 0 0 369.443 3.080 10 5 FGBERN CCCN(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000255186913 222997567 /nfs/dbraw/zinc/99/75/67/222997567.db2.gz AAEMKGTWTFDOBD-UHFFFAOYSA-N 0 0 358.354 3.138 10 5 FGBERN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2ccc(F)cc2)[nH]c1=O ZINC000072450884 221535637 /nfs/dbraw/zinc/53/56/37/221535637.db2.gz JPYBIAJWNZRCJZ-UHFFFAOYSA-N 0 0 353.309 3.342 10 5 FGBERN CCc1ccc([C@H](C)NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1 ZINC000057672010 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370.077 3.173 10 5 FGBERN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)N1CCc2ccccc21 ZINC000010012150 204388235 /nfs/dbraw/zinc/38/82/35/204388235.db2.gz KASDEHVAJAYFQG-CMDGGOBGSA-N 0 0 353.403 3.072 10 5 FGBERN Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1[N+](=O)[O-] ZINC000039435509 205046662 /nfs/dbraw/zinc/04/66/62/205046662.db2.gz BAHGPVCYQCDDOO-UHFFFAOYSA-N 0 0 371.758 3.266 10 5 FGBERN Cc1ccc(C)c(Nc2ncnc(-n3nnc4ccccc43)c2[N+](=O)[O-])c1 ZINC000040592419 205074269 /nfs/dbraw/zinc/07/42/69/205074269.db2.gz JMUQTQILIMFQAN-UHFFFAOYSA-N 0 0 361.365 3.479 10 5 FGBERN O=C(Nc1ccccc1)c1cccc(/C=C/N2CCOCC2)c1[N+](=O)[O-] ZINC000058983091 205280690 /nfs/dbraw/zinc/28/06/90/205280690.db2.gz CGXMCDPGNIOZFQ-MDZDMXLPSA-N 0 0 353.378 3.150 10 5 FGBERN C[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000105700449 206007822 /nfs/dbraw/zinc/00/78/22/206007822.db2.gz WQNXEZQLZQKUMX-LLVKDONJSA-N 0 0 354.815 3.429 10 5 FGBERN COc1ccc(C(=O)c2cc3c(cc2[N+](=O)[O-])NC(=O)C3(C)C)c(OC)c1 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CCO[C@H]1C[C@H](N(C)C(=O)NCc2cccc([N+](=O)[O-])c2)C12CCCC2 ZINC000154227788 495550218 /nfs/dbraw/zinc/55/02/18/495550218.db2.gz CETKPXJVMGNJOC-IRXDYDNUSA-N 0 0 361.442 3.474 10 5 FGBERN Cc1sc(C(=O)N2CCC[C@@H]2CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000173627843 495620617 /nfs/dbraw/zinc/62/06/17/495620617.db2.gz GXAKMAAXGZOLQE-LLVKDONJSA-N 0 0 369.443 3.094 10 5 FGBERN CCc1ccc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000154542033 495648116 /nfs/dbraw/zinc/64/81/16/495648116.db2.gz JXLFYUVMYKTBOE-NVXWUHKLSA-N 0 0 358.394 3.479 10 5 FGBERN CCc1noc([C@H](C)N2CCN([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)n1 ZINC000182753304 495688934 /nfs/dbraw/zinc/68/89/34/495688934.db2.gz ANKLKPAEJHBUHH-CABCVRRESA-N 0 0 373.457 3.288 10 5 FGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000182783734 495701486 /nfs/dbraw/zinc/70/14/86/495701486.db2.gz HJFAIQJIYYSQDV-FYWRMAATSA-N 0 0 354.410 3.133 10 5 FGBERN CC(C)C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1nc(-c2nc[nH]n2)no1 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367.203 3.065 10 5 FGBERN O=[N+]([O-])c1cc(OCc2ccccc2)c2ccccc2c1C(CO)CO ZINC000218243593 497001340 /nfs/dbraw/zinc/00/13/40/497001340.db2.gz XVYROKAWERUMJN-UHFFFAOYSA-N 0 0 353.374 3.395 10 5 FGBERN COc1cccc(Cn2nc(Br)c3c2cccc3[N+](=O)[O-])n1 ZINC000220285874 497014248 /nfs/dbraw/zinc/01/42/48/497014248.db2.gz VPEKOPKHLGPXRY-UHFFFAOYSA-N 0 0 363.171 3.159 10 5 FGBERN CC(C)c1ccc(C(=O)N2CCO[C@H](c3nccs3)C2)cc1[N+](=O)[O-] ZINC000189778654 497241546 /nfs/dbraw/zinc/24/15/46/497241546.db2.gz XOFCUCSTTWFGRN-HNNXBMFYSA-N 0 0 361.423 3.388 10 5 FGBERN CC[C@@H](NC(=O)Nc1ccn([C@@H](C)COC)n1)c1cccc([N+](=O)[O-])c1 ZINC000189861782 497271703 /nfs/dbraw/zinc/27/17/03/497271703.db2.gz WTECNXWYYJQRKB-SWLSCSKDSA-N 0 0 361.402 3.272 10 5 FGBERN CCc1ccc([C@@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000252008308 497295302 /nfs/dbraw/zinc/29/53/02/497295302.db2.gz QENCVBNIRDETPY-GFCCVEGCSA-N 0 0 364.423 3.205 10 5 FGBERN CCn1cc(C2CCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)cn1 ZINC000193850599 497501834 /nfs/dbraw/zinc/50/18/34/497501834.db2.gz PCANTSMYMCDZPC-UHFFFAOYSA-N 0 0 359.386 3.099 10 5 FGBERN CCc1nnc(COc2ccc([N+](=O)[O-])cc2Cc2ccccc2)n1C ZINC000194684644 497738471 /nfs/dbraw/zinc/73/84/71/497738471.db2.gz ZXOZGAPQSNGROL-UHFFFAOYSA-N 0 0 352.394 3.456 10 5 FGBERN C[C@H]1C[C@H](c2ccccc2F)N(c2nc3ccccn3c(=O)c2[N+](=O)[O-])C1 ZINC000301466370 498122253 /nfs/dbraw/zinc/12/22/53/498122253.db2.gz LTZHOQJZSNBIMS-SWLSCSKDSA-N 0 0 368.368 3.329 10 5 FGBERN C[C@H](CNc1nc2ccccn2c(=O)c1[N+](=O)[O-])Sc1ccccc1 ZINC000301470128 498123402 /nfs/dbraw/zinc/12/34/02/498123402.db2.gz OLRNFRQMURXTDR-GFCCVEGCSA-N 0 0 356.407 3.195 10 5 FGBERN O=[N+]([O-])c1cc(Br)ccc1N1CCC[C@H]1Cn1ccnc1 ZINC000301549053 498157384 /nfs/dbraw/zinc/15/73/84/498157384.db2.gz LUSNERUSBSZLDP-LBPRGKRZSA-N 0 0 351.204 3.223 10 5 FGBERN CC(C)CC[C@@H]1CCCCN1c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000301637682 498200487 /nfs/dbraw/zinc/20/04/87/498200487.db2.gz FOIKAQTXFKNPRI-ZDUSSCGKSA-N 0 0 355.460 3.037 10 5 FGBERN COc1cc(OC)cc(C2(O)CCN(c3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000301647772 498204857 /nfs/dbraw/zinc/20/48/57/498204857.db2.gz OOMHISCETHSDBH-UHFFFAOYSA-N 0 0 372.421 3.408 10 5 FGBERN CCS[C@@H]1CC[C@@]1(O)CNc1cc(Br)ccc1[N+](=O)[O-] ZINC000301690321 498225681 /nfs/dbraw/zinc/22/56/81/498225681.db2.gz WEZAKDRBPRPDPV-CHWSQXEVSA-N 0 0 361.261 3.416 10 5 FGBERN O=[N+]([O-])c1ccc(NCc2ccnc(O[C@H]3CCOC3)c2)c2ccncc21 ZINC000301866233 498301632 /nfs/dbraw/zinc/30/16/32/498301632.db2.gz GAEKPBXQYRSKFN-AWEZNQCLSA-N 0 0 366.377 3.318 10 5 FGBERN CCc1nc2n(n1)C[C@H](Nc1cc(C)nc3c1cccc3[N+](=O)[O-])CC2 ZINC000302024969 498373083 /nfs/dbraw/zinc/37/30/83/498373083.db2.gz PQQFSWQBZGLBIH-GFCCVEGCSA-N 0 0 352.398 3.032 10 5 FGBERN C[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1Br ZINC000017964548 695635343 /nfs/dbraw/zinc/63/53/43/695635343.db2.gz WMEXTGLQSBLYOL-VIFPVBQESA-N 0 0 364.199 3.431 10 5 FGBERN Cc1ccc([C@H](C)OC(=O)CN(C)C(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000084809860 700363083 /nfs/dbraw/zinc/36/30/83/700363083.db2.gz YWDAFFSZHBSNRG-LBPRGKRZSA-N 0 0 362.407 3.341 10 5 FGBERN COC(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 ZINC000153036297 704983259 /nfs/dbraw/zinc/98/32/59/704983259.db2.gz YUWNUSPKALYKJG-AWEZNQCLSA-N 0 0 362.769 3.282 10 5 FGBERN Cc1ccc2c(c1)[C@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[C@H](C)C2 ZINC000184853027 712677391 /nfs/dbraw/zinc/67/73/91/712677391.db2.gz HAVYBDIQRWQKRI-FZKQIMNGSA-N 0 0 360.435 3.256 10 5 FGBERN COC(=O)c1cc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000006180571 204239823 /nfs/dbraw/zinc/23/98/23/204239823.db2.gz SGPHHZCRTKTJFC-UHFFFAOYSA-N 0 0 364.741 3.296 10 5 FGBERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000027341309 204860756 /nfs/dbraw/zinc/86/07/56/204860756.db2.gz HMOBHNOCHRNAEP-DYVFJYSZSA-N 0 0 355.394 3.378 10 5 FGBERN O=c1[nH]cnc(Oc2ccc(Br)c3cccnc23)c1[N+](=O)[O-] ZINC000040659835 205075314 /nfs/dbraw/zinc/07/53/14/205075314.db2.gz QLVRZKRODJTMFQ-UHFFFAOYSA-N 0 0 363.127 3.193 10 5 FGBERN Cc1c(NC(=O)C(=O)N[C@@H]2CCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000048648321 257343417 /nfs/dbraw/zinc/34/34/17/257343417.db2.gz WFXLYRIGYSFBTI-MRXNPFEDSA-N 0 0 353.378 3.036 10 5 FGBERN O=[N+]([O-])c1c(Cl)c(Cl)c(Cl)c(N2CCOCC2)c1[N+](=O)[O-] ZINC000005185119 132377511 /nfs/dbraw/zinc/37/75/11/132377511.db2.gz HOWTYDXCKXGSPP-UHFFFAOYSA-N 0 0 356.549 3.300 10 5 FGBERN CC(=O)Nc1ccc(Nc2ncnc(N3CCCCC3)c2[N+](=O)[O-])cc1 ZINC000040609712 132947290 /nfs/dbraw/zinc/94/72/90/132947290.db2.gz XHIBTPXWUFYJBR-UHFFFAOYSA-N 0 0 356.386 3.077 10 5 FGBERN Cc1ccccc1C(=O)N[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C ZINC000007915829 494052133 /nfs/dbraw/zinc/05/21/33/494052133.db2.gz HOZDSAHIAJYZBP-KRWDZBQOSA-N 0 0 355.394 3.296 10 5 FGBERN Cc1ccc([C@@H](C)OC(=O)C2CCN(C(=O)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000084808694 494098130 /nfs/dbraw/zinc/09/81/30/494098130.db2.gz MRFKNJDMCCADQI-CQSZACIVSA-N 0 0 362.426 3.402 10 5 FGBERN CCOC(=O)C=C(Nc1ccc(OC)cc1N)c1ccc([N+](=O)[O-])cc1 ZINC000072236451 494145307 /nfs/dbraw/zinc/14/53/07/494145307.db2.gz HHHAHJZDIXJLJP-GZTJUZNOSA-N 0 0 357.366 3.202 10 5 FGBERN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000054652618 494257142 /nfs/dbraw/zinc/25/71/42/494257142.db2.gz ZBEYBRUJMKHZLY-APWZRJJASA-N 0 0 369.421 3.291 10 5 FGBERN Cc1nc([C@@H](C)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cs1 ZINC000078562586 494319746 /nfs/dbraw/zinc/31/97/46/494319746.db2.gz FDRKIPWDKDVLQG-LLVKDONJSA-N 0 0 360.439 3.451 10 5 FGBERN CC[C@H](NC(=O)c1ccc(-n2ccnn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000089774194 494361183 /nfs/dbraw/zinc/36/11/83/494361183.db2.gz MCBDBOSTAXSDMA-KRWDZBQOSA-N 0 0 351.366 3.057 10 5 FGBERN O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@H](Oc4cccnc4)C3)co2)cc1 ZINC000089910230 494398843 /nfs/dbraw/zinc/39/88/43/494398843.db2.gz FWPSJCGPFCHWRT-SFHVURJKSA-N 0 0 366.377 3.298 10 5 FGBERN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(F)c(F)c1 ZINC000055971032 494436315 /nfs/dbraw/zinc/43/63/15/494436315.db2.gz LKCDZEDDVQPLGD-MRVPVSSYSA-N 0 0 360.313 3.052 10 5 FGBERN CC[C@H](NC(=O)NC[C@@H](c1ccco1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090512354 494476588 /nfs/dbraw/zinc/47/65/88/494476588.db2.gz PEOMAMUVODHHFT-HOTGVXAUSA-N 0 0 360.414 3.241 10 5 FGBERN Cc1cc(N[C@H]2CC(=O)N(C(C)(C)C)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000080674409 494765079 /nfs/dbraw/zinc/76/50/79/494765079.db2.gz YAONBPJYSNFICN-AWEZNQCLSA-N 0 0 369.425 3.172 10 5 FGBERN Cc1ccc(NC(=O)Cc2noc(-c3ccc([N+](=O)[O-])cc3F)n2)cc1 ZINC000109442554 494875446 /nfs/dbraw/zinc/87/54/46/494875446.db2.gz IAWXIZJIPIPSFZ-UHFFFAOYSA-N 0 0 356.313 3.274 10 5 FGBERN Cc1ccc(NC(=O)C(=O)N2CCCC[C@@H]2c2nccs2)cc1[N+](=O)[O-] ZINC000127058538 494887236 /nfs/dbraw/zinc/88/72/36/494887236.db2.gz XMRKWHCRMCPNFD-CYBMUJFWSA-N 0 0 374.422 3.052 10 5 FGBERN Cc1nc(CN2CCCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)cs1 ZINC000109650332 494900912 /nfs/dbraw/zinc/90/09/12/494900912.db2.gz RTNQNHODLUVRPS-UHFFFAOYSA-N 0 0 374.466 3.016 10 5 FGBERN CN(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1ncccc1[N+](=O)[O-] ZINC000095074998 494958113 /nfs/dbraw/zinc/95/81/13/494958113.db2.gz HWQISBMTJNJGLN-ZDUSSCGKSA-N 0 0 350.419 3.216 10 5 FGBERN CC(C)(C)OC(=O)N1CC[C@@H](COc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000095084051 494958704 /nfs/dbraw/zinc/95/87/04/494958704.db2.gz RYTXOOOYYWLBMG-LLVKDONJSA-N 0 0 363.370 3.372 10 5 FGBERN CC(C)(C)OC(=O)N1CC[C@@H](COc2cnc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000095084057 494958891 /nfs/dbraw/zinc/95/88/91/494958891.db2.gz AZGIHPHICVOJFH-GFCCVEGCSA-N 0 0 374.397 3.174 10 5 FGBERN CC(C)(C)OC(=O)NC[C@@H]1CCN(c2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000095087792 494959734 /nfs/dbraw/zinc/95/97/34/494959734.db2.gz WOADLWWDKCRNKA-NSHDSACASA-N 0 0 362.386 3.087 10 5 FGBERN CC(C)(C)OC(=O)N1CCC[C@H]1COc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000095085870 494959816 /nfs/dbraw/zinc/95/98/16/494959816.db2.gz ARIAVOFQZQWGRV-LBPRGKRZSA-N 0 0 362.386 3.249 10 5 FGBERN C[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])c1cccc(-n2ccnc2)c1 ZINC000133638138 495039674 /nfs/dbraw/zinc/03/96/74/495039674.db2.gz NFZLTNKIRBGAMN-GFCCVEGCSA-N 0 0 354.341 3.411 10 5 FGBERN O=C(COc1ccccc1[N+](=O)[O-])N[C@H](Cc1ccccc1)C(F)(F)F ZINC000128380882 495088178 /nfs/dbraw/zinc/08/81/78/495088178.db2.gz BXIQRDANPODZTH-OAHLLOKOSA-N 0 0 368.311 3.263 10 5 FGBERN CS(=O)(=O)c1cc(NCc2ccc(F)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000124441218 495288672 /nfs/dbraw/zinc/28/86/72/495288672.db2.gz ISOAXWFSPCYGEP-UHFFFAOYSA-N 0 0 358.778 3.403 10 5 FGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000120113245 495310011 /nfs/dbraw/zinc/31/00/11/495310011.db2.gz GAUUXMNVMNRKOS-CYBMUJFWSA-N 0 0 372.429 3.063 10 5 FGBERN CCn1cc(C2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC2)cn1 ZINC000139376615 495477336 /nfs/dbraw/zinc/47/73/36/495477336.db2.gz GRHHHFDGCLKTDG-UHFFFAOYSA-N 0 0 362.817 3.484 10 5 FGBERN Cc1nccn1C[C@H]1CCCN1C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185462240 495585769 /nfs/dbraw/zinc/58/57/69/495585769.db2.gz PDTCVGGCHGHDRB-IUODEOHRSA-N 0 0 360.389 3.034 10 5 FGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000185514753 495606042 /nfs/dbraw/zinc/60/60/42/495606042.db2.gz FSSSQJNBMBNMRV-QFBILLFUSA-N 0 0 369.421 3.238 10 5 FGBERN CC[C@@H](NC(=O)[C@H](C)Oc1cccc(CO)c1)c1cccc([N+](=O)[O-])c1 ZINC000150887561 495668991 /nfs/dbraw/zinc/66/89/91/495668991.db2.gz BWRHYPGIEKAVNA-SCLBCKFNSA-N 0 0 358.394 3.122 10 5 FGBERN C[C@H](COCc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000179769446 495727559 /nfs/dbraw/zinc/72/75/59/495727559.db2.gz CIOLHIKAMUTKHI-CQSZACIVSA-N 0 0 365.389 3.478 10 5 FGBERN CC[C@@H](NC(=O)N1CCC[C@@H](c2cc[nH]n2)C1)c1cccc([N+](=O)[O-])c1 ZINC000176687228 495748395 /nfs/dbraw/zinc/74/83/95/495748395.db2.gz NNXFZSLFMYSXQQ-GDBMZVCRSA-N 0 0 357.414 3.358 10 5 FGBERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000159542339 495755865 /nfs/dbraw/zinc/75/58/65/495755865.db2.gz OHCFKQNALJQOOQ-AWEZNQCLSA-N 0 0 374.441 3.402 10 5 FGBERN Cc1nc(C[C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)no1 ZINC000171243738 495786462 /nfs/dbraw/zinc/78/64/62/495786462.db2.gz POUDUGYCEUUUSE-LLVKDONJSA-N 0 0 364.789 3.035 10 5 FGBERN CCc1n[nH]c(C(=O)N[C@H](C)c2cccc(Br)c2)c1[N+](=O)[O-] ZINC000171370757 495843070 /nfs/dbraw/zinc/84/30/70/495843070.db2.gz BGPNTTFADSXAPJ-MRVPVSSYSA-N 0 0 367.203 3.134 10 5 FGBERN COc1cc(CN2CCS[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180069701 495844017 /nfs/dbraw/zinc/84/40/17/495844017.db2.gz FFGCBMFPKXTQFF-SNVBAGLBSA-N 0 0 362.398 3.185 10 5 FGBERN COc1cc(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000174860944 496137623 /nfs/dbraw/zinc/13/76/23/496137623.db2.gz LNSAUKHKQXLPIZ-FUHWJXTLSA-N 0 0 370.405 3.332 10 5 FGBERN Cc1sc(C(=O)NC2(c3noc(C4CC4)n3)CCCC2)cc1[N+](=O)[O-] ZINC000174990949 496197750 /nfs/dbraw/zinc/19/77/50/496197750.db2.gz JDCDINYLNHEDRU-UHFFFAOYSA-N 0 0 362.411 3.424 10 5 FGBERN CC[C@@H](NC(=O)C[C@H](C)NC(=O)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000177792699 496198875 /nfs/dbraw/zinc/19/88/75/496198875.db2.gz OOCRAJPDBFNNJW-SUMWQHHRSA-N 0 0 361.442 3.247 10 5 FGBERN Cc1ccc([C@@H](C)NC(=O)[C@H](C)NC(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000177845882 496221071 /nfs/dbraw/zinc/22/10/71/496221071.db2.gz NZPCHOAELQHNEQ-KGLIPLIRSA-N 0 0 370.409 3.291 10 5 FGBERN CC[C@@H](NS(=O)(=O)c1cccc(COC)c1)c1cccc([N+](=O)[O-])c1 ZINC000175114035 496252730 /nfs/dbraw/zinc/25/27/30/496252730.db2.gz NGSMNHPASHRGHY-QGZVFWFLSA-N 0 0 364.423 3.171 10 5 FGBERN CCO[C@@H]1C[C@@H](NC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C12CCOCC2 ZINC000187055586 496272108 /nfs/dbraw/zinc/27/21/08/496272108.db2.gz YDZSZGKCGIUFBV-UQPQFNMUSA-N 0 0 374.437 3.089 10 5 FGBERN Cc1nc(C[C@H]2CCCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)no1 ZINC000178011663 496285666 /nfs/dbraw/zinc/28/56/66/496285666.db2.gz MPACNHLHVQECKM-GFCCVEGCSA-N 0 0 350.806 3.394 10 5 FGBERN CC[C@@H](NC(=O)C(=O)Nc1ccc(C)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000178056954 496308883 /nfs/dbraw/zinc/30/88/83/496308883.db2.gz FPDUXOMVVGRVRV-OAHLLOKOSA-N 0 0 359.357 3.248 10 5 FGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181622434 496473720 /nfs/dbraw/zinc/47/37/20/496473720.db2.gz VEULQIOJZCSXSB-CYBMUJFWSA-N 0 0 372.429 3.063 10 5 FGBERN C[C@@H](COCc1ccccc1)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000172976098 496506551 /nfs/dbraw/zinc/50/65/51/496506551.db2.gz BACDUPPOJUNKGR-HNNXBMFYSA-N 0 0 357.410 3.118 10 5 FGBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187728917 496549319 /nfs/dbraw/zinc/54/93/19/496549319.db2.gz FQZNBJWAYWCNSG-WFASDCNBSA-N 0 0 366.826 3.158 10 5 FGBERN Cc1ccc2c(c1)[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H](C)C2 ZINC000182338393 496730318 /nfs/dbraw/zinc/73/03/18/496730318.db2.gz HEOGZDNMYMHYEC-SGTLLEGYSA-N 0 0 367.405 3.200 10 5 FGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000191366843 496738519 /nfs/dbraw/zinc/73/85/19/496738519.db2.gz WQYCAZCDIKOUDD-LBPRGKRZSA-N 0 0 358.402 3.022 10 5 FGBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC(Cn2cccn2)CC1 ZINC000191396073 496748820 /nfs/dbraw/zinc/74/88/20/496748820.db2.gz ZPZYRCIPWQNJSC-UHFFFAOYSA-N 0 0 357.414 3.352 10 5 FGBERN Cc1nc(C[C@H]2CCCN(C(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)C2)no1 ZINC000191408483 496753462 /nfs/dbraw/zinc/75/34/62/496753462.db2.gz HHPOWQQDKMVQCC-CQSZACIVSA-N 0 0 373.413 3.390 10 5 FGBERN O=[N+]([O-])c1cnc(N2CCN(Cc3nc(-c4ccccc4)co3)CC2)s1 ZINC000192451472 497119946 /nfs/dbraw/zinc/11/99/46/497119946.db2.gz HAFDBHVWVVXJPL-UHFFFAOYSA-N 0 0 371.422 3.029 10 5 FGBERN Cc1ccc([C@H](CNc2cc(N)ccc2[N+](=O)[O-])N2CCOCC2)s1 ZINC000192791570 497215046 /nfs/dbraw/zinc/21/50/46/497215046.db2.gz RTUPQTHXJGTJIR-INIZCTEOSA-N 0 0 362.455 3.032 10 5 FGBERN CC[C@@H](NC(=O)N[C@@H](CO)Cc1cccc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000190238748 497410662 /nfs/dbraw/zinc/41/06/62/497410662.db2.gz LOEGVRIBIVFESL-IEBWSBKVSA-N 0 0 371.437 3.257 10 5 FGBERN CC[C@@H](NC(=O)Nc1ccc2c(c1)CC(=O)N2C)c1cccc([N+](=O)[O-])c1 ZINC000194068095 497563214 /nfs/dbraw/zinc/56/32/14/497563214.db2.gz XIAKFJSVFUTUGC-MRXNPFEDSA-N 0 0 368.393 3.387 10 5 FGBERN O=C(N[C@@H]1CCCC[C@@H]1O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000194777863 497768106 /nfs/dbraw/zinc/76/81/06/497768106.db2.gz NDMYRTVYYSSKGR-MJGOQNOKSA-N 0 0 370.405 3.207 10 5 FGBERN O=[N+]([O-])c1ccc(OCCN2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cc1 ZINC000246818040 497813465 /nfs/dbraw/zinc/81/34/65/497813465.db2.gz UDZDNAZIXXBNKH-KDOFPFPSSA-N 0 0 364.348 3.060 10 5 FGBERN Nc1nc(Oc2ccc(NC(=O)c3ccsc3)cc2)ncc1[N+](=O)[O-] ZINC000301160507 497977953 /nfs/dbraw/zinc/97/79/53/497977953.db2.gz BJNPNHJMBYCRFM-UHFFFAOYSA-N 0 0 357.351 3.073 10 5 FGBERN Cc1cc(N2CCC[C@@H](c3ncc[nH]3)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301237965 498015515 /nfs/dbraw/zinc/01/55/15/498015515.db2.gz MXTDIIKVMYQUNO-OAHLLOKOSA-N 0 0 364.409 3.467 10 5 FGBERN Cc1cc(Sc2nnc(N(C)C)s2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301247784 498019084 /nfs/dbraw/zinc/01/90/84/498019084.db2.gz QUQWLZLSSIZJPP-UHFFFAOYSA-N 0 0 374.451 3.429 10 5 FGBERN CC(=O)c1ccc(Sc2ccccc2S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000301295290 498043538 /nfs/dbraw/zinc/04/35/38/498043538.db2.gz RJILHDRTDYOFBT-UHFFFAOYSA-N 0 0 351.405 3.352 10 5 FGBERN C[C@@H]1C[C@H]1[C@@H](Nc1nc2ccccn2c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC000301298572 498046575 /nfs/dbraw/zinc/04/65/75/498046575.db2.gz PZVMDISWUQRTML-XPKDYRNWSA-N 0 0 350.378 3.412 10 5 FGBERN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCO[C@@H]1c1ccccc1 ZINC000301434864 498109265 /nfs/dbraw/zinc/10/92/65/498109265.db2.gz RRLHLVRMOCCOST-KBXCAEBGSA-N 0 0 355.394 3.144 10 5 FGBERN CCOc1cc(I)c([N+](=O)[O-])c(OC(F)F)c1 ZINC000575658327 505988116 /nfs/dbraw/zinc/98/81/16/505988116.db2.gz SBMDCLOWDZNZTB-UHFFFAOYSA-N 0 0 359.066 3.200 10 5 FGBERN CC(=O)c1c(I)ccc(Br)c1[N+](=O)[O-] ZINC000575693371 505991037 /nfs/dbraw/zinc/99/10/37/505991037.db2.gz RKZAZDOBXVWMNO-UHFFFAOYSA-N 0 0 369.940 3.165 10 5 FGBERN C[C@@H]1COC2(CCN(c3cc(Br)ccc3[N+](=O)[O-])CC2)O1 ZINC000301648675 498205751 /nfs/dbraw/zinc/20/57/51/498205751.db2.gz FEGWSWCUDAQEGA-SNVBAGLBSA-N 0 0 357.204 3.089 10 5 FGBERN COC(=O)[C@@]12CCC[C@@H]1CN(c1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000302211185 498444003 /nfs/dbraw/zinc/44/40/03/498444003.db2.gz YOKRCOIDGIKICR-MEBBXXQBSA-N 0 0 369.215 3.137 10 5 FGBERN CCc1ccc(C(=O)N2CCN(c3cc(F)ccc3[N+](=O)[O-])CC2)cc1 ZINC000302817527 498586942 /nfs/dbraw/zinc/58/69/42/498586942.db2.gz MORXTOUREBMXQX-UHFFFAOYSA-N 0 0 357.385 3.259 10 5 FGBERN CN(C)c1noc(C2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)n1 ZINC000302824710 498589665 /nfs/dbraw/zinc/58/96/65/498589665.db2.gz GKNBRAYTDWAETG-UHFFFAOYSA-N 0 0 351.794 3.081 10 5 FGBERN O=[N+]([O-])c1cc2c(cc1[N+](=O)[O-])Oc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1O2 ZINC000584659462 507435857 /nfs/dbraw/zinc/43/58/57/507435857.db2.gz NAHVDLGPIJTSNN-UHFFFAOYSA-N 0 0 364.182 3.217 10 5 FGBERN Cc1ccc([C@@H](C)OC(=O)CCNC(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000084809636 700363227 /nfs/dbraw/zinc/36/32/27/700363227.db2.gz AQRFUTJZFBKPBD-GFCCVEGCSA-N 0 0 362.407 3.389 10 5 FGBERN Cn1cc([C@@H]2CCCN2Cn2c3cc([N+](=O)[O-])ccc3oc2=S)cn1 ZINC000171360883 705382205 /nfs/dbraw/zinc/38/22/05/705382205.db2.gz VRTZXTARDRFLPE-ZDUSSCGKSA-N 0 0 359.411 3.400 10 5 FGBERN C[C@H](O)c1cccc(OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000178214022 705658316 /nfs/dbraw/zinc/65/83/16/705658316.db2.gz CZVPEGPMGRGOMP-JTQLQIEISA-N 0 0 350.758 3.319 10 5 FGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCCC[C@@H]1CO ZINC000183609335 705893562 /nfs/dbraw/zinc/89/35/62/705893562.db2.gz SRQPGJOCZORDSV-ZYHUDNBSSA-N 0 0 358.847 3.008 10 5 FGBERN O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CCCC[C@@H]1c1nccs1 ZINC000195302247 713552202 /nfs/dbraw/zinc/55/22/02/713552202.db2.gz NORNYSNLHFTBON-GFCCVEGCSA-N 0 0 360.395 3.144 10 5 FGBERN Cc1cc(OCC(=O)N2CCN=Cc3cc([N+](=O)[O-])ccc32)ccc1Cl ZINC000073642494 205032343 /nfs/dbraw/zinc/03/23/43/205032343.db2.gz UDZHCSVYUOKNIB-UHFFFAOYSA-N 0 0 373.796 3.401 10 5 FGBERN COc1ccc2oc(=O)c(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cc2c1 ZINC000040949368 205084758 /nfs/dbraw/zinc/08/47/58/205084758.db2.gz BTMRXVRLWVDTQC-UHFFFAOYSA-N 0 0 354.318 3.271 10 5 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COC(=O)C[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000043149603 494271225 /nfs/dbraw/zinc/27/12/25/494271225.db2.gz JTVXICPQYJNHFT-MRXNPFEDSA-N 0 0 357.366 3.329 10 5 FGBERN CC[C@H](NS(=O)(=O)c1cccc(C(C)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000090223044 494456787 /nfs/dbraw/zinc/45/67/87/494456787.db2.gz JAHHIGNTBMQDTE-KRWDZBQOSA-N 0 0 362.407 3.227 10 5 FGBERN Cc1ccc(C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000091763685 494670073 /nfs/dbraw/zinc/67/00/73/494670073.db2.gz GWPTZRAGKWLDBM-DYVFJYSZSA-N 0 0 362.332 3.130 10 5 FGBERN Cc1cc(C(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)ccc1[N+](=O)[O-] ZINC000091777104 494677367 /nfs/dbraw/zinc/67/73/67/494677367.db2.gz UFFBJUSZLRESSU-CXAGYDPISA-N 0 0 362.332 3.130 10 5 FGBERN Cc1cc(C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)ccc1[N+](=O)[O-] ZINC000091777109 494677386 /nfs/dbraw/zinc/67/73/86/494677386.db2.gz UFFBJUSZLRESSU-GUYCJALGSA-N 0 0 362.332 3.130 10 5 FGBERN CCn1cc(C2CCN(Cc3cc(OC)c(OC)cc3[N+](=O)[O-])CC2)cn1 ZINC000092809238 494755135 /nfs/dbraw/zinc/75/51/35/494755135.db2.gz FIVJJKOGRMJQGV-UHFFFAOYSA-N 0 0 374.441 3.208 10 5 FGBERN C[C@H]1C[C@H]1NC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC000075518463 494783629 /nfs/dbraw/zinc/78/36/29/494783629.db2.gz MYNDCFGYUWTHER-BLLLJJGKSA-N 0 0 367.405 3.030 10 5 FGBERN O=[N+]([O-])c1c(NCCc2ccc(Br)o2)nc2sccn21 ZINC000132142855 494827869 /nfs/dbraw/zinc/82/78/69/494827869.db2.gz NWFBBTXWUCJONZ-UHFFFAOYSA-N 0 0 357.189 3.314 10 5 FGBERN CC1(C)CCc2ccccc2[C@H]1NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000133051737 494961685 /nfs/dbraw/zinc/96/16/85/494961685.db2.gz PZWQEWXSQQTYRA-QGZVFWFLSA-N 0 0 367.405 3.363 10 5 FGBERN Cc1nn(C)c(C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] ZINC000098094829 495053496 /nfs/dbraw/zinc/05/34/96/495053496.db2.gz QNPWPCQGSZVBTF-SSDOTTSWSA-N 0 0 357.197 3.435 10 5 FGBERN O=C(N[C@@H]1COc2ccccc21)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000128329826 495080472 /nfs/dbraw/zinc/08/04/72/495080472.db2.gz QXOPPEALAANGKE-CYBMUJFWSA-N 0 0 352.268 3.477 10 5 FGBERN CC[C@@H](NC(=O)N(C)CCCn1ccnc1C)c1cccc([N+](=O)[O-])c1 ZINC000123247133 495102962 /nfs/dbraw/zinc/10/29/62/495102962.db2.gz BIJBKTOJVJNBQM-QGZVFWFLSA-N 0 0 359.430 3.283 10 5 FGBERN CC(C)(C)OC(=O)N1CC[C@@H](C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC000119497542 495177859 /nfs/dbraw/zinc/17/78/59/495177859.db2.gz QMEXJSSHNUQUFH-SECBINFHSA-N 0 0 371.340 3.069 10 5 FGBERN O=[N+]([O-])c1ccc(-c2noc(CN3CCCC[C@@H]3c3cn[nH]c3)n2)cc1 ZINC000114200987 495354286 /nfs/dbraw/zinc/35/42/86/495354286.db2.gz INPVBLYETHBEIB-OAHLLOKOSA-N 0 0 354.370 3.095 10 5 FGBERN Cc1nn(C)c(C)c1[C@H]1CCCN1[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000106210817 495431100 /nfs/dbraw/zinc/43/11/00/495431100.db2.gz GWTGJFFILTUQSA-WMLDXEAASA-N 0 0 371.441 3.109 10 5 FGBERN CCc1nccn1[C@@H]1CCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000106217561 495436600 /nfs/dbraw/zinc/43/66/00/495436600.db2.gz STHPDQUPRCSCOZ-WMLDXEAASA-N 0 0 371.441 3.018 10 5 FGBERN Cc1nnc([C@H]2CN(C(=O)c3cc4ccccc4c4cccnc34)CCO2)[nH]1 ZINC000173606670 495611094 /nfs/dbraw/zinc/61/10/94/495611094.db2.gz LXZMVSQHBFUMMW-GOSISDBHSA-N 0 0 373.416 3.028 10 5 FGBERN Cc1nc(C[C@@H]2CCCN(C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)C2)no1 ZINC000170899171 495647363 /nfs/dbraw/zinc/64/73/63/495647363.db2.gz FDTZLRNJSYQOLE-JSGCOSHPSA-N 0 0 373.413 3.012 10 5 FGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccco2)c2ncccc12 ZINC000185649821 495662184 /nfs/dbraw/zinc/66/21/84/495662184.db2.gz NKRWIODRSLHRLO-CQSZACIVSA-N 0 0 373.390 3.262 10 5 FGBERN CC[C@H](NCc1nc2ccccc2c(=O)n1C)c1cccc([N+](=O)[O-])c1 ZINC000179676412 495688267 /nfs/dbraw/zinc/68/82/67/495688267.db2.gz QIYXHLJECCBZQQ-INIZCTEOSA-N 0 0 352.394 3.083 10 5 FGBERN CCc1noc([C@@H](C)N2CCN([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)n1 ZINC000182753247 495689384 /nfs/dbraw/zinc/68/93/84/495689384.db2.gz ANKLKPAEJHBUHH-LSDHHAIUSA-N 0 0 373.457 3.288 10 5 FGBERN CC(C)C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1nc(-c2nc[nH]n2)no1 ZINC000179808383 495743111 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CC[C@@H](NC(=O)C[C@@H]1OC(=O)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000177799164 496201424 /nfs/dbraw/zinc/20/14/24/496201424.db2.gz IWSXOZCSRGHYAW-SJORKVTESA-N 0 0 354.362 3.464 10 5 FGBERN Cc1sc(C(=O)N2CCN(c3nc4ccccc4o3)CC2)cc1[N+](=O)[O-] ZINC000172389579 496279053 /nfs/dbraw/zinc/27/90/53/496279053.db2.gz GYYNWUYACRYWAE-UHFFFAOYSA-N 0 0 372.406 3.068 10 5 FGBERN CC[C@@H](NC(=O)C(=O)Nc1cc(F)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000178056873 496308459 /nfs/dbraw/zinc/30/84/59/496308459.db2.gz MJESHFGTNVJJJH-CQSZACIVSA-N 0 0 363.320 3.079 10 5 FGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@H]2c2nccs2)c(F)c1 ZINC000175383999 496366417 /nfs/dbraw/zinc/36/64/17/496366417.db2.gz NOEGZTOFUQTRFT-LBPRGKRZSA-N 0 0 371.415 3.106 10 5 FGBERN CC[C@H](NCc1nnnn1-c1c(C)cccc1C)c1cccc([N+](=O)[O-])c1 ZINC000181562074 496446388 /nfs/dbraw/zinc/44/63/88/496446388.db2.gz OJBDDEMOOGTWKE-KRWDZBQOSA-N 0 0 366.425 3.428 10 5 FGBERN Cn1cc([C@@H]2CCCN2Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000153483880 496471410 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497400417 /nfs/dbraw/zinc/40/04/17/497400417.db2.gz SKBONFHDLYHHFE-MRXNPFEDSA-N 0 0 371.393 3.497 10 5 FGBERN Cc1ccc([C@@H]2CCCCN2C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000190221696 497405264 /nfs/dbraw/zinc/40/52/64/497405264.db2.gz GFOZDGIUVMRIAC-HNNXBMFYSA-N 0 0 357.366 3.189 10 5 FGBERN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H]1c1cnn(C)c1 ZINC000245446152 497411704 /nfs/dbraw/zinc/41/17/04/497411704.db2.gz KXZSVWCFERCSID-LRDDRELGSA-N 0 0 368.397 3.276 10 5 FGBERN CCOC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Cl)cc1 ZINC000193857567 497503407 /nfs/dbraw/zinc/50/34/07/497503407.db2.gz QORDDBURFOCHRK-CYBMUJFWSA-N 0 0 368.798 3.344 10 5 FGBERN Cc1cc(N2CCC(n3ccnc3)CC2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301235026 498013940 /nfs/dbraw/zinc/01/39/40/498013940.db2.gz LHMQWMAGKRAXFB-UHFFFAOYSA-N 0 0 364.409 3.398 10 5 FGBERN CN(C)c1cc(CNc2ccc([N+](=O)[O-])cc2Br)ccn1 ZINC000301348508 498067826 /nfs/dbraw/zinc/06/78/26/498067826.db2.gz LOXBSKWHVVFZLR-UHFFFAOYSA-N 0 0 351.204 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/nfs/dbraw/zinc/43/61/83/507436183.db2.gz FXDPJNQXFYXJLY-QGZVFWFLSA-N 0 0 355.346 3.214 10 5 FGBERN COC(=O)C[C@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000072966394 695964758 /nfs/dbraw/zinc/96/47/58/695964758.db2.gz BSXNMOONRAVVHU-AWEZNQCLSA-N 0 0 362.769 3.282 10 5 FGBERN O=C(NC[C@H](O)c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000078329019 700276702 /nfs/dbraw/zinc/27/67/02/700276702.db2.gz XOHOMCMBODXZLG-AWEZNQCLSA-N 0 0 355.177 3.365 10 5 FGBERN CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000172690681 705426813 /nfs/dbraw/zinc/42/68/13/705426813.db2.gz SQMJCZCGCLKKQX-PWSUYJOCSA-N 0 0 369.443 3.080 10 5 FGBERN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OC1CCC1 ZINC000175199036 705536344 /nfs/dbraw/zinc/53/63/44/705536344.db2.gz AKHYHIGWOGKCGV-CQSZACIVSA-N 0 0 354.790 3.098 10 5 FGBERN O=[N+]([O-])c1ccc(C[C@@H](O)c2ccccc2I)cc1 ZINC000062139959 209866865 /nfs/dbraw/zinc/86/68/65/209866865.db2.gz WQPCITHXJRFCBK-CQSZACIVSA-N 0 0 369.158 3.476 10 5 FGBERN 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362.817 3.484 10 5 FGBERN CC1(C)CO[C@H](c2ccccc2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184367765 496354592 /nfs/dbraw/zinc/35/45/92/496354592.db2.gz LJAWOQBWNAZWKY-KRWDZBQOSA-N 0 0 355.394 3.169 10 5 FGBERN C[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)c1c(Cl)ccc(F)c1Cl ZINC000163089523 496463052 /nfs/dbraw/zinc/46/30/52/496463052.db2.gz PWFZCSSTOWOSGO-LURJTMIESA-N 0 0 361.160 3.265 10 5 FGBERN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187735174 496551539 /nfs/dbraw/zinc/55/15/39/496551539.db2.gz PXOFZRUHOHHGHC-RYUDHWBXSA-N 0 0 366.826 3.158 10 5 FGBERN Cc1sc(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000154003086 496650247 /nfs/dbraw/zinc/65/02/47/496650247.db2.gz HXDNIMJJWWLMEF-WCQYABFASA-N 0 0 350.396 3.286 10 5 FGBERN CCc1nccn1[C@@H]1CCCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000247816477 496919052 /nfs/dbraw/zinc/91/90/52/496919052.db2.gz WILDWVQPXAMHNH-HUUCEWRRSA-N 0 0 371.441 3.018 10 5 FGBERN CC[C@H](NC(=O)N[C@H](CO)Cc1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000190238534 497410504 /nfs/dbraw/zinc/41/05/04/497410504.db2.gz DTIRSBOWNPWKCF-HKUYNNGSSA-N 0 0 371.437 3.257 10 5 FGBERN CC(=O)c1ccc(N[C@H](C)C(=O)N2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000301190821 497991907 /nfs/dbraw/zinc/99/19/07/497991907.db2.gz RREYQSDOCJMDHF-GFCCVEGCSA-N 0 0 353.378 3.187 10 5 FGBERN CCOc1c(I)cc(OC(F)F)cc1[N+](=O)[O-] ZINC000575656139 505988350 /nfs/dbraw/zinc/98/83/50/505988350.db2.gz FHNOHHXXWLQEBR-UHFFFAOYSA-N 0 0 359.066 3.200 10 5 FGBERN CCOc1c(I)ccc(OC(F)F)c1[N+](=O)[O-] ZINC000575656149 505988390 /nfs/dbraw/zinc/98/83/90/505988390.db2.gz FYZRYPIXNGKOKI-UHFFFAOYSA-N 0 0 359.066 3.200 10 5 FGBERN CCOC(=O)c1c(I)ccc([N+](=O)[O-])c1Cl ZINC000575701051 505990912 /nfs/dbraw/zinc/99/09/12/505990912.db2.gz HBSHGQDKNUSUQD-UHFFFAOYSA-N 0 0 355.515 3.030 10 5 FGBERN CC(=O)c1c([N+](=O)[O-])ccc(I)c1C(F)(F)F ZINC000575709548 505992255 /nfs/dbraw/zinc/99/22/55/505992255.db2.gz AXIWHGBWXINLKT-UHFFFAOYSA-N 0 0 359.041 3.421 10 5 FGBERN O=[N+]([O-])c1cc(Cl)ccc1N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 ZINC000301652735 498207492 /nfs/dbraw/zinc/20/74/92/498207492.db2.gz QSGCGLMCSMRXEJ-OALUTQOASA-N 0 0 373.840 3.338 10 5 FGBERN CCOC(=O)[C@@]1(C)CCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000301735518 498244126 /nfs/dbraw/zinc/24/41/26/498244126.db2.gz AZIGELMMORJVGR-AWEZNQCLSA-N 0 0 357.204 3.137 10 5 FGBERN O=[N+]([O-])c1ccc(NCc2ccnc(O[C@@H]3CCOC3)c2)c2ccncc21 ZINC000301866234 498300970 /nfs/dbraw/zinc/30/09/70/498300970.db2.gz GAEKPBXQYRSKFN-CQSZACIVSA-N 0 0 366.377 3.318 10 5 FGBERN CSc1ccc(CN(C)c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])cc1 ZINC000301905197 498321376 /nfs/dbraw/zinc/32/13/76/498321376.db2.gz PZIBJAHCKUIOLH-UHFFFAOYSA-N 0 0 366.464 3.357 10 5 FGBERN C[C@@H](CNc1cc(CO)ccc1[N+](=O)[O-])c1nc(-c2ccccc2)no1 ZINC000302080254 498398667 /nfs/dbraw/zinc/39/86/67/498398667.db2.gz ZXCFVLYSKAPCJZ-LBPRGKRZSA-N 0 0 354.366 3.353 10 5 FGBERN CC(C)(C)OC(=O)NC[C@H]1CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000174236276 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ZINC000128586171 495120058 /nfs/dbraw/zinc/12/00/58/495120058.db2.gz HBFHJGKEPSYDJY-DOTOQJQBSA-N 0 0 369.425 3.019 10 5 FGBERN C[C@@H]1C[C@@H]1NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000134787508 495201437 /nfs/dbraw/zinc/20/14/37/495201437.db2.gz YXNXRJMXLZAWOP-KRTXAFLBSA-N 0 0 355.181 3.226 10 5 FGBERN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3ccnn3C)CC2)c1 ZINC000124438340 495287652 /nfs/dbraw/zinc/28/76/52/495287652.db2.gz RBGWHHHKZSCOFN-UHFFFAOYSA-N 0 0 360.439 3.070 10 5 FGBERN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000114564293 495391907 /nfs/dbraw/zinc/39/19/07/495391907.db2.gz KFOVJNQYSDJUSN-HNNXBMFYSA-N 0 0 373.413 3.323 10 5 FGBERN CC(C)(CNc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1)c1cccs1 ZINC000125155208 495398948 /nfs/dbraw/zinc/39/89/48/495398948.db2.gz PCEZBRBIAYBEHO-UHFFFAOYSA-N 0 0 354.453 3.450 10 5 FGBERN C[C@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)s1 ZINC000106052175 495407945 /nfs/dbraw/zinc/40/79/45/495407945.db2.gz CDQHHHORBJYFMQ-VIFPVBQESA-N 0 0 360.844 3.490 10 5 FGBERN Cc1nn(C)c(C)c1[C@@H]1CCCN1[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000106211523 495432997 /nfs/dbraw/zinc/43/29/97/495432997.db2.gz IPPBTCDYZCDURK-YOEHRIQHSA-N 0 0 371.441 3.109 10 5 FGBERN O=C1Nc2ccccc2[C@H]1CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000170639307 495541781 /nfs/dbraw/zinc/54/17/81/495541781.db2.gz HKQLLGQONMDCJJ-CYBMUJFWSA-N 0 0 366.377 3.017 10 5 FGBERN Cc1nn(Cc2ccc([N+](=O)[O-])cc2F)c(C)c1CC(=O)OC(C)(C)C ZINC000144782891 495548692 /nfs/dbraw/zinc/54/86/92/495548692.db2.gz JKMPWVZNKPLVTP-UHFFFAOYSA-N 0 0 363.389 3.480 10 5 FGBERN CCOC(=O)C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1C ZINC000173817045 495705675 /nfs/dbraw/zinc/70/56/75/495705675.db2.gz WUEBFGDRMINUIY-QGZVFWFLSA-N 0 0 370.405 3.256 10 5 FGBERN C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(-n2ccnc2)c1 ZINC000173910796 495743665 /nfs/dbraw/zinc/74/36/65/495743665.db2.gz SKJXQVMHLGUVCR-AWEZNQCLSA-N 0 0 350.378 3.200 10 5 FGBERN Cc1nc(C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)C2)no1 ZINC000171244628 495786014 /nfs/dbraw/zinc/78/60/14/495786014.db2.gz NGSZRBVGLFTDKN-NSHDSACASA-N 0 0 364.789 3.035 10 5 FGBERN CC1(C)C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c2ccccc2O1 ZINC000159942297 495846914 /nfs/dbraw/zinc/84/69/14/495846914.db2.gz QWLPKICFBFXTHT-CYBMUJFWSA-N 0 0 359.357 3.348 10 5 FGBERN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000151668193 495912762 /nfs/dbraw/zinc/91/27/62/495912762.db2.gz MOLOLDLUEAFAEZ-OAHLLOKOSA-N 0 0 370.409 3.053 10 5 FGBERN O=C(Nc1ccncc1[N+](=O)[O-])N[C@H](Cc1ccccc1)C(F)(F)F ZINC000183637395 496056513 /nfs/dbraw/zinc/05/65/13/496056513.db2.gz ZWURRLPTFVINKV-CYBMUJFWSA-N 0 0 354.288 3.285 10 5 FGBERN CCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)cc1[N+](=O)[O-] ZINC000180642036 496082809 /nfs/dbraw/zinc/08/28/09/496082809.db2.gz KNWJFKIREUVTRU-DZGCQCFKSA-N 0 0 373.457 3.374 10 5 FGBERN CC1(C)CO[C@@H](c2ccccc2Cl)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000174857860 496136504 /nfs/dbraw/zinc/13/65/04/496136504.db2.gz HHZJRHGRVXLINU-MRXNPFEDSA-N 0 0 364.833 3.297 10 5 FGBERN CC[C@@H](NC(=O)C[C@@H](C)NC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000177786585 496194945 /nfs/dbraw/zinc/19/49/45/496194945.db2.gz UPCJZBZMRXKHNE-RDTXWAMCSA-N 0 0 369.421 3.371 10 5 FGBERN CC[C@@H](NC(=O)C[C@H](C)NC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000177786603 496195029 /nfs/dbraw/zinc/19/50/29/496195029.db2.gz UPCJZBZMRXKHNE-KBXCAEBGSA-N 0 0 369.421 3.371 10 5 FGBERN CC(C)CC(=O)N[C@@H](C(=O)N1CCCc2c([N+](=O)[O-])cccc21)C(C)C ZINC000162162954 496306344 /nfs/dbraw/zinc/30/63/44/496306344.db2.gz BISNMLUUZOSEQT-GOSISDBHSA-N 0 0 361.442 3.061 10 5 FGBERN CC[C@H](NC(=O)C(=O)Nc1ccc(C)cc1OC)c1cccc([N+](=O)[O-])c1 ZINC000178055325 496307538 /nfs/dbraw/zinc/30/75/38/496307538.db2.gz VYRXEKIQCYPSLB-HNNXBMFYSA-N 0 0 371.393 3.118 10 5 FGBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000153632642 496524920 /nfs/dbraw/zinc/52/49/20/496524920.db2.gz ASNXNCIREYIZLS-GFCCVEGCSA-N 0 0 358.402 3.022 10 5 FGBERN Cc1cc(N(C)CCc2nccs2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000157795214 496556630 /nfs/dbraw/zinc/55/66/30/496556630.db2.gz LWZCPMVPAUGAFU-UHFFFAOYSA-N 0 0 355.423 3.496 10 5 FGBERN Cc1nn(CCC(=O)N[C@H]2CCCc3cc(F)ccc32)c(C)c1[N+](=O)[O-] ZINC000157832027 496565046 /nfs/dbraw/zinc/56/50/46/496565046.db2.gz YLYGKWFDWVGYNS-INIZCTEOSA-N 0 0 360.389 3.131 10 5 FGBERN C[C@@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccc(OC(F)(F)F)cc1 ZINC000187947658 496628581 /nfs/dbraw/zinc/62/85/81/496628581.db2.gz RKVABEHDQJKNNN-MRVPVSSYSA-N 0 0 371.271 3.085 10 5 FGBERN CC(C)=CCNC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000191771025 496883297 /nfs/dbraw/zinc/88/32/97/496883297.db2.gz DSCUMYPUCUQZKQ-OAHLLOKOSA-N 0 0 367.833 3.085 10 5 FGBERN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(c2cc[nH]n2)CC1 ZINC000195505784 496944547 /nfs/dbraw/zinc/94/45/47/496944547.db2.gz LZLUMTONYFFGNE-GFCCVEGCSA-N 0 0 368.397 3.309 10 5 FGBERN Cc1ccccc1Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N ZINC000226299794 497082087 /nfs/dbraw/zinc/08/20/87/497082087.db2.gz SOJDOJGHROREIC-UHFFFAOYSA-N 0 0 355.423 3.092 10 5 FGBERN Cc1ccc([C@@H](CNc2cc(N)ccc2[N+](=O)[O-])N2CCOCC2)s1 ZINC000192791554 497214598 /nfs/dbraw/zinc/21/45/98/497214598.db2.gz RTUPQTHXJGTJIR-MRXNPFEDSA-N 0 0 362.455 3.032 10 5 FGBERN Cc1nccn1C[C@H]1CCCN1C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000191335966 497784101 /nfs/dbraw/zinc/78/41/01/497784101.db2.gz YVFYTJMAQZKOGH-OAHLLOKOSA-N 0 0 357.414 3.413 10 5 FGBERN COC(=O)N1CCC[C@H](Nc2cc(C)nc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000301206540 497999425 /nfs/dbraw/zinc/99/94/25/497999425.db2.gz ZLFHXIBYCCHTKP-AWEZNQCLSA-N 0 0 371.397 3.003 10 5 FGBERN CNC(=O)c1ccc(N2CCC[C@H](COc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000301269621 498031421 /nfs/dbraw/zinc/03/14/21/498031421.db2.gz GQRVTUCHPDGYJR-HNNXBMFYSA-N 0 0 369.421 3.250 10 5 FGBERN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CC[C@H]2CCCC[C@H]21 ZINC000301278531 498035703 /nfs/dbraw/zinc/03/57/03/498035703.db2.gz XCMXOWLZWKAEET-ZYHUDNBSSA-N 0 0 360.382 3.360 10 5 FGBERN O=C1C[C@@H](CNc2ccc(F)cc2[N+](=O)[O-])CN1CCc1ccccc1 ZINC000301550210 498158613 /nfs/dbraw/zinc/15/86/13/498158613.db2.gz GOEMOGBPSKABIX-HNNXBMFYSA-N 0 0 357.385 3.237 10 5 FGBERN CC(C)(C)OC(=O)C1CCC(Nc2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000302014994 498368183 /nfs/dbraw/zinc/36/81/83/498368183.db2.gz BUHGNUAVOWZLAC-UHFFFAOYSA-N 0 0 350.415 3.400 10 5 FGBERN CCc1nc2n(n1)C[C@@H](Nc1cc(C)nc3c1cccc3[N+](=O)[O-])CC2 ZINC000302024970 498373436 /nfs/dbraw/zinc/37/34/36/498373436.db2.gz PQQFSWQBZGLBIH-LBPRGKRZSA-N 0 0 352.398 3.032 10 5 FGBERN COc1cccc(NC2CCN(c3cc(CO)ccc3[N+](=O)[O-])CC2)c1 ZINC000302042019 498381826 /nfs/dbraw/zinc/38/18/26/498381826.db2.gz NYIIXKNFONVETL-UHFFFAOYSA-N 0 0 357.410 3.177 10 5 FGBERN O=[N+]([O-])c1c(F)cccc1N1CCN(Cc2ccc(Cl)cn2)CC1 ZINC000302201813 498440611 /nfs/dbraw/zinc/44/06/11/498440611.db2.gz ZPZKCTBWLYNSQT-UHFFFAOYSA-N 0 0 350.781 3.105 10 5 FGBERN CC(C)(C)OC(=O)N[C@H]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000153610842 705006119 /nfs/dbraw/zinc/00/61/19/705006119.db2.gz AKEQSHKTRNDGKV-NSHDSACASA-N 0 0 356.810 3.137 10 5 FGBERN C[C@@H](COCc1ccccc1)NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000175289093 705541695 /nfs/dbraw/zinc/54/16/95/705541695.db2.gz QCTSRNADQGEPSB-NSHDSACASA-N 0 0 350.321 3.208 10 5 FGBERN C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)NC(=O)OC(C)(C)C ZINC000194962373 713541107 /nfs/dbraw/zinc/54/11/07/713541107.db2.gz PCFYQDXJUYTBCX-SNVBAGLBSA-N 0 0 371.821 3.281 10 5 FGBERN CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000195446958 713556831 /nfs/dbraw/zinc/55/68/31/713556831.db2.gz QHRLBYSVAXFIQP-LLVKDONJSA-N 0 0 369.443 3.176 10 5 FGBERN O=c1c([N+](=O)[O-])c(NCC2(c3ccccc3)CCC2)nc2ccccn21 ZINC000105696374 210161744 /nfs/dbraw/zinc/16/17/44/210161744.db2.gz HRAYFIPSJKHNPV-UHFFFAOYSA-N 0 0 350.378 3.137 10 5 FGBERN CN(C)C(=O)[C@H]1CCCN1c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000105361955 210161827 /nfs/dbraw/zinc/16/18/27/210161827.db2.gz PAULYXNBKDMUGG-SNVBAGLBSA-N 0 0 365.739 3.324 10 5 FGBERN C[C@H](Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)c1cccc(Cl)c1 ZINC000046230628 210059943 /nfs/dbraw/zinc/05/99/43/210059943.db2.gz SUDHBSPGUTXBQP-VIFPVBQESA-N 0 0 355.803 3.069 10 5 FGBERN O=[N+]([O-])c1c2nsnc2ccc1Sc1nnn(C2CCCCC2)n1 ZINC000016384191 220184124 /nfs/dbraw/zinc/18/41/24/220184124.db2.gz DQNDCYVGERAREJ-UHFFFAOYSA-N 0 0 363.428 3.242 10 5 FGBERN O=C([O-])C[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Br ZINC000038027982 211358789 /nfs/dbraw/zinc/35/87/89/211358789.db2.gz ATGLKWPRWZZQOR-NSHDSACASA-N 0 0 357.204 3.187 10 5 FGBERN CCCNC(=O)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000013617919 211043953 /nfs/dbraw/zinc/04/39/53/211043953.db2.gz GSEDNHHZTJOVAR-IZZDOVSWSA-N 0 0 353.378 3.387 10 5 FGBERN CCN1c2ccc([N+](=O)[O-])cc2N=C(c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000100898433 222256966 /nfs/dbraw/zinc/25/69/66/222256966.db2.gz RTTFSGDCZWTRON-UHFFFAOYSA-N 0 0 354.322 3.380 10 5 FGBERN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C[C@H](C)O1 ZINC000120419142 222517873 /nfs/dbraw/zinc/51/78/73/222517873.db2.gz QAAQIINWFYIUSO-GJZGRUSLSA-N 0 0 369.421 3.456 10 5 FGBERN CC(=O)c1ccc(N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c([N+](=O)[O-])c1 ZINC000052720347 494056865 /nfs/dbraw/zinc/05/68/65/494056865.db2.gz WWPFIAKHVZUBDP-NSHDSACASA-N 0 0 362.407 3.374 10 5 FGBERN CC[C@H](NC(=O)NC[C@@](C)(O)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000090688992 494493866 /nfs/dbraw/zinc/49/38/66/494493866.db2.gz SKGCSFDSFQKSHF-DOTOQJQBSA-N 0 0 363.439 3.314 10 5 FGBERN Cc1c(C(=O)N2CCC[C@@H]2c2ccco2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000116043080 494685261 /nfs/dbraw/zinc/68/52/61/494685261.db2.gz ZFMAEEGLAXQZQV-OAHLLOKOSA-N 0 0 367.365 3.054 10 5 FGBERN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCO[C@@H](c3nccs3)C2)c1 ZINC000092832010 494769265 /nfs/dbraw/zinc/76/92/65/494769265.db2.gz YIAJACNPLHLUIR-CYBMUJFWSA-N 0 0 371.365 3.226 10 5 FGBERN C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1nc2cc([N+](=O)[O-])ccc2o1 ZINC000095090871 494960784 /nfs/dbraw/zinc/96/07/84/494960784.db2.gz KQVURZWOGNFVPM-NSHDSACASA-N 0 0 362.386 3.182 10 5 FGBERN Cc1ccc([C@H](C)NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)cc1F ZINC000119397396 495158431 /nfs/dbraw/zinc/15/84/31/495158431.db2.gz XHKRCGSLUPGHHC-LBPRGKRZSA-N 0 0 369.356 3.114 10 5 FGBERN O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000128982537 495178099 /nfs/dbraw/zinc/17/80/99/495178099.db2.gz SGVZUAHEIWEJJB-HNNXBMFYSA-N 0 0 368.311 3.263 10 5 FGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000120264436 495339252 /nfs/dbraw/zinc/33/92/52/495339252.db2.gz MQWYEAFPKJCFQS-CRAIPNDOSA-N 0 0 371.368 3.200 10 5 FGBERN O=[N+]([O-])c1cc(Cl)c(N2CCN(Cc3ccon3)CC2)c(Cl)c1 ZINC000125724719 495487848 /nfs/dbraw/zinc/48/78/48/495487848.db2.gz YFQXEVRIEGNZCY-UHFFFAOYSA-N 0 0 357.197 3.212 10 5 FGBERN CCOc1ccc(C(=O)N2CCC[C@H]2c2noc(C(C)C)n2)cc1[N+](=O)[O-] ZINC000173456050 495537268 /nfs/dbraw/zinc/53/72/68/495537268.db2.gz VOZQBRSQLZOZLX-ZDUSSCGKSA-N 0 0 374.397 3.477 10 5 FGBERN COc1ccc(C(=O)N2CCC[C@@H](c3nc(C)cs3)C2)cc1[N+](=O)[O-] ZINC000173587337 495600068 /nfs/dbraw/zinc/60/00/68/495600068.db2.gz FYJVLKKEYXOUSJ-CYBMUJFWSA-N 0 0 361.423 3.388 10 5 FGBERN CC[C@@H](NC(=O)Nc1cnn(CC(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000177062721 495907156 /nfs/dbraw/zinc/90/71/56/495907156.db2.gz QGEPRHAPGYRJRL-CYBMUJFWSA-N 0 0 353.329 3.329 10 5 FGBERN O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180237080 495919297 /nfs/dbraw/zinc/91/92/97/495919297.db2.gz SSCJWWQWUIAIRM-HNNXBMFYSA-N 0 0 368.315 3.078 10 5 FGBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000186277104 495925298 /nfs/dbraw/zinc/92/52/98/495925298.db2.gz IDQGOOSOMYREPT-HBIYDYFMSA-N 0 0 359.407 3.055 10 5 FGBERN Cc1ccc2c(c1)[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C2 ZINC000180592038 496058983 /nfs/dbraw/zinc/05/89/83/496058983.db2.gz UBTNAPSSFWKDGS-UGSOOPFHSA-N 0 0 360.435 3.256 10 5 FGBERN CN1C(=O)CC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H]1c1ccccc1 ZINC000171986668 496118613 /nfs/dbraw/zinc/11/86/13/496118613.db2.gz YRBVSFNWKBABQT-KBXCAEBGSA-N 0 0 371.368 3.282 10 5 FGBERN Cc1ccc([C@H](C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000177855255 496224234 /nfs/dbraw/zinc/22/42/34/496224234.db2.gz RCAJCJKSUHNHGY-KSSFIOAISA-N 0 0 363.458 3.267 10 5 FGBERN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ccco1 ZINC000172245209 496225252 /nfs/dbraw/zinc/22/52/52/496225252.db2.gz HUVZMWVBOCJPTN-HNNXBMFYSA-N 0 0 352.350 3.351 10 5 FGBERN CC[C@@H](NS(=O)(=O)Cc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000175111139 496250423 /nfs/dbraw/zinc/25/04/23/496250423.db2.gz YPVFLMDIIDRKMB-MRXNPFEDSA-N 0 0 352.387 3.305 10 5 FGBERN COc1cc(C(=O)NC2(c3noc(C(C)C)n3)CCCC2)ccc1[N+](=O)[O-] ZINC000175173026 496277009 /nfs/dbraw/zinc/27/70/09/496277009.db2.gz IDCNSIQIEXPKNH-UHFFFAOYSA-N 0 0 374.397 3.309 10 5 FGBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000172391193 496280086 /nfs/dbraw/zinc/28/00/86/496280086.db2.gz LCUHVEHTXUGDAH-UHFFFAOYSA-N 0 0 366.377 3.007 10 5 FGBERN CC[C@H](NC(=O)C(=O)Nc1c(C)cccc1C)c1cccc([N+](=O)[O-])c1 ZINC000178055968 496307254 /nfs/dbraw/zinc/30/72/54/496307254.db2.gz VXSDHRYLXGPMOX-INIZCTEOSA-N 0 0 355.394 3.418 10 5 FGBERN CCc1ccc(NC(=O)C(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)cc1 ZINC000178056007 496307577 /nfs/dbraw/zinc/30/75/77/496307577.db2.gz GLYZFIXWNLKTEI-KRWDZBQOSA-N 0 0 355.394 3.363 10 5 FGBERN CC[C@@H](NC(=O)NCc1ccc(CO)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000176059404 496665394 /nfs/dbraw/zinc/66/53/94/496665394.db2.gz QHDOYUHBKJWCAD-QGZVFWFLSA-N 0 0 361.373 3.177 10 5 FGBERN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCCC[C@@H]1c1nccs1 ZINC000182225775 496713768 /nfs/dbraw/zinc/71/37/68/496713768.db2.gz OWIIPIDXBHQVIM-DZGCQCFKSA-N 0 0 363.439 3.018 10 5 FGBERN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)n1 ZINC000191525684 496798062 /nfs/dbraw/zinc/79/80/62/496798062.db2.gz RWGRUJCXTUQVEW-SECBINFHSA-N 0 0 372.303 3.201 10 5 FGBERN CCc1nccn1[C@H]1CCCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000247806266 496917134 /nfs/dbraw/zinc/91/71/34/496917134.db2.gz STHPDQUPRCSCOZ-PBHICJAKSA-N 0 0 371.441 3.018 10 5 FGBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188821252 496918815 /nfs/dbraw/zinc/91/88/15/496918815.db2.gz IUFHMAGFBGKWTM-ZFWWWQNUSA-N 0 0 361.423 3.205 10 5 FGBERN CCOC(=O)[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000193861338 497505318 /nfs/dbraw/zinc/50/53/18/497505318.db2.gz GTYUSLTXUPSJFH-ZDUSSCGKSA-N 0 0 368.798 3.344 10 5 FGBERN O=c1c([N+](=O)[O-])c(N(Cc2ccc(F)cc2)CC2CC2)nc2ccccn12 ZINC000301249427 498020772 /nfs/dbraw/zinc/02/07/72/498020772.db2.gz BOTXRNRQOCJNIU-UHFFFAOYSA-N 0 0 368.368 3.158 10 5 FGBERN COc1cc(OC)cc(N2CC[C@H](N(C)c3cc(C)c([N+](=O)[O-])cn3)C2)c1 ZINC000301483960 498129463 /nfs/dbraw/zinc/12/94/63/498129463.db2.gz GJHYFIDEHMBRSX-AWEZNQCLSA-N 0 0 372.425 3.031 10 5 FGBERN CC[C@@H](CNc1nc2ccccn2c(=O)c1[N+](=O)[O-])Oc1ccccc1C ZINC000301544491 498156713 /nfs/dbraw/zinc/15/67/13/498156713.db2.gz KQRMBGBFRLDKNO-AWEZNQCLSA-N 0 0 368.393 3.181 10 5 FGBERN CC[C@H](CNc1nc2ccccn2c(=O)c1[N+](=O)[O-])Oc1ccccc1C ZINC000301544492 498156767 /nfs/dbraw/zinc/15/67/67/498156767.db2.gz KQRMBGBFRLDKNO-CQSZACIVSA-N 0 0 368.393 3.181 10 5 FGBERN CCOc1cc(I)c(OC(F)F)cc1[N+](=O)[O-] ZINC000575659063 505988592 /nfs/dbraw/zinc/98/85/92/505988592.db2.gz ZXLWZBDPNLQFMP-UHFFFAOYSA-N 0 0 359.066 3.200 10 5 FGBERN CC(=O)c1ccc([N+](=O)[O-])c(I)c1OC(F)F ZINC000575663974 505988762 /nfs/dbraw/zinc/98/87/62/505988762.db2.gz RDILZJHZQUUDKN-UHFFFAOYSA-N 0 0 357.050 3.003 10 5 FGBERN Cc1ccc(CNc2cc(CO)ccc2[N+](=O)[O-])c(O[C@H]2CCOC2)c1 ZINC000302033950 498377109 /nfs/dbraw/zinc/37/71/09/498377109.db2.gz LCTCHEAAGLDNJN-INIZCTEOSA-N 0 0 358.394 3.175 10 5 FGBERN COC(=O)[C@]12CCC[C@H]1CN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)C2 ZINC000302203451 498441985 /nfs/dbraw/zinc/44/19/85/498441985.db2.gz VYXMUEACHZGOKJ-YWZLYKJASA-N 0 0 367.405 3.436 10 5 FGBERN COC(=O)[C@]12CCC[C@@H]1CN(c1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000302211183 498444911 /nfs/dbraw/zinc/44/49/11/498444911.db2.gz YOKRCOIDGIKICR-BMIGLBTASA-N 0 0 369.215 3.137 10 5 FGBERN C[C@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C[C@H]1N1CCOCC1 ZINC000302275809 498462391 /nfs/dbraw/zinc/46/23/91/498462391.db2.gz IREOEIZIDGLCLK-IINYFYTJSA-N 0 0 360.241 3.059 10 5 FGBERN CC(=O)c1ccc(N2CCN(c3cc(F)ccc3[N+](=O)[O-])CC2)c(F)c1 ZINC000302861660 498602970 /nfs/dbraw/zinc/60/29/70/498602970.db2.gz QESZWWYMAFPDFE-UHFFFAOYSA-N 0 0 361.348 3.402 10 5 FGBERN COC(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 ZINC000153036415 704983228 /nfs/dbraw/zinc/98/32/28/704983228.db2.gz YUWNUSPKALYKJG-CQSZACIVSA-N 0 0 362.769 3.282 10 5 FGBERN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@@H]1CCCc2ccccc21 ZINC000194331297 713518827 /nfs/dbraw/zinc/51/88/27/713518827.db2.gz SALWFTOUZCAVEW-CQSZACIVSA-N 0 0 350.371 3.090 10 5 FGBERN CCn1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)c2cc(F)ccc21 ZINC000041056848 211767191 /nfs/dbraw/zinc/76/71/91/211767191.db2.gz HEVUMDOIWBDJRY-UHFFFAOYSA-N 0 0 355.325 3.321 10 5 FGBERN O=C([O-])C[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Br ZINC000038027981 211358721 /nfs/dbraw/zinc/35/87/21/211358721.db2.gz ATGLKWPRWZZQOR-LLVKDONJSA-N 0 0 357.204 3.187 10 5 FGBERN N[C@@H]1c2cc([N+](=O)[O-])ccc2N(Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000019795695 211255104 /nfs/dbraw/zinc/25/51/04/211255104.db2.gz VIXRWWQMWKVJNM-CQSZACIVSA-N 0 0 352.177 3.448 10 5 FGBERN CN(C)[C@H](CNc1cc(CO)ccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000302077441 257383463 /nfs/dbraw/zinc/38/34/63/257383463.db2.gz YVEQTDHCAFWWQC-MRXNPFEDSA-N 0 0 351.353 3.080 10 5 FGBERN Cc1c(C(=O)N[C@@H]2CCOc3ccccc32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000023646910 257334933 /nfs/dbraw/zinc/33/49/33/257334933.db2.gz ZIUWBDBWCADWDY-CQSZACIVSA-N 0 0 357.322 3.065 10 5 FGBERN Cc1c(NC(=O)C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000041272369 494154248 /nfs/dbraw/zinc/15/42/48/494154248.db2.gz YWCBFAGVDTZEGY-GHMZBOCLSA-N 0 0 373.331 3.079 10 5 FGBERN CC[C@H](NC(=O)N[C@H]1CCN(c2ccccn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000090620095 494488483 /nfs/dbraw/zinc/48/84/83/494488483.db2.gz HBFHJGKEPSYDJY-RDJZCZTQSA-N 0 0 369.425 3.019 10 5 FGBERN COc1ccc(NC(=O)[C@H](C)N2CCC[C@@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000116298462 494755937 /nfs/dbraw/zinc/75/59/37/494755937.db2.gz FYNNOHRLCJGTPQ-SWLSCSKDSA-N 0 0 359.382 3.361 10 5 FGBERN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCO[C@H](c3nccs3)C2)c1 ZINC000092832009 494769023 /nfs/dbraw/zinc/76/90/23/494769023.db2.gz YIAJACNPLHLUIR-ZDUSSCGKSA-N 0 0 371.365 3.226 10 5 FGBERN CN(C[C@@H]1CCCN1c1cccnn1)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000108946817 494809724 /nfs/dbraw/zinc/80/97/24/494809724.db2.gz MRNBHWPBZRTTRG-INIZCTEOSA-N 0 0 364.409 3.038 10 5 FGBERN CC(C)(C)c1ccc(C(=O)N2CCC[C@@H](Cn3cncn3)C2)cc1[N+](=O)[O-] ZINC000127154108 494901811 /nfs/dbraw/zinc/90/18/11/494901811.db2.gz VTIXWVHJELDXGM-CQSZACIVSA-N 0 0 371.441 3.036 10 5 FGBERN Cc1nc(C[C@@H]2CCCN(C(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)C2)no1 ZINC000094106533 494951062 /nfs/dbraw/zinc/95/10/62/494951062.db2.gz QMUWZOKCJONJHH-HNNXBMFYSA-N 0 0 372.425 3.306 10 5 FGBERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000133051576 494961456 /nfs/dbraw/zinc/96/14/56/494961456.db2.gz PZWQEWXSQQTYRA-KRWDZBQOSA-N 0 0 367.405 3.363 10 5 FGBERN O=C(COc1ccccc1[N+](=O)[O-])N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000128380640 495088403 /nfs/dbraw/zinc/08/84/03/495088403.db2.gz BXIQRDANPODZTH-HNNXBMFYSA-N 0 0 368.311 3.263 10 5 FGBERN CCCC(=O)N[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000101738368 495094013 /nfs/dbraw/zinc/09/40/13/495094013.db2.gz ZXLVOPVMYRERTD-LLVKDONJSA-N 0 0 368.821 3.161 10 5 FGBERN CCCC(=O)N[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000101738370 495094133 /nfs/dbraw/zinc/09/41/33/495094133.db2.gz ZXLVOPVMYRERTD-NSHDSACASA-N 0 0 368.821 3.161 10 5 FGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000134734309 495192950 /nfs/dbraw/zinc/19/29/50/495192950.db2.gz QFRDCPUOLACFJB-QGZVFWFLSA-N 0 0 353.382 3.096 10 5 FGBERN CCn1cc(C2CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000123927443 495208573 /nfs/dbraw/zinc/20/85/73/495208573.db2.gz OMCSJQJGJJUQMS-UHFFFAOYSA-N 0 0 374.466 3.310 10 5 FGBERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000120103500 495307257 /nfs/dbraw/zinc/30/72/57/495307257.db2.gz MXXNKTPZLNBDEM-GFCCVEGCSA-N 0 0 358.402 3.022 10 5 FGBERN C[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc2c(c1)OCCO2 ZINC000129871626 495308471 /nfs/dbraw/zinc/30/84/71/495308471.db2.gz CLHBZZJBTHTCDT-NSHDSACASA-N 0 0 367.361 3.338 10 5 FGBERN CCn1cnnc1[C@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000120150442 495315936 /nfs/dbraw/zinc/31/59/36/495315936.db2.gz HHRCTIDIUKMRTN-AWEZNQCLSA-N 0 0 372.429 3.235 10 5 FGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000120195136 495324862 /nfs/dbraw/zinc/32/48/62/495324862.db2.gz FWAXCTVXGSCQDL-CQSZACIVSA-N 0 0 362.411 3.274 10 5 FGBERN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113889988 495332914 /nfs/dbraw/zinc/33/29/14/495332914.db2.gz WIYDYBYGYAAECK-MRXNPFEDSA-N 0 0 355.398 3.260 10 5 FGBERN Cc1c(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000120275550 495341201 /nfs/dbraw/zinc/34/12/01/495341201.db2.gz ZYMTZTFOWANOJN-KSSFIOAISA-N 0 0 371.368 3.200 10 5 FGBERN Cc1ccc2oc(N3CCN(Cc4ccc([N+](=O)[O-])cc4)CC3)nc2c1 ZINC000106095044 495414104 /nfs/dbraw/zinc/41/41/04/495414104.db2.gz ITILPSMAKNWHDA-UHFFFAOYSA-N 0 0 352.394 3.367 10 5 FGBERN Cc1ccc2oc(N3CCN(Cc4ccccc4[N+](=O)[O-])CC3)nc2c1 ZINC000106095715 495414157 /nfs/dbraw/zinc/41/41/57/495414157.db2.gz KTVOSUCNCPUPSR-UHFFFAOYSA-N 0 0 352.394 3.367 10 5 FGBERN Cc1ccc(C[C@@H](C)Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)s1 ZINC000125329662 495427277 /nfs/dbraw/zinc/42/72/77/495427277.db2.gz JRPGFOVRSPJYNC-SNVBAGLBSA-N 0 0 354.453 3.411 10 5 FGBERN CCOC(=O)c1cc(N2CCC[C@@H](n3ccnc3CC)C2)ccc1[N+](=O)[O-] ZINC000125766169 495495627 /nfs/dbraw/zinc/49/56/27/495495627.db2.gz HJBVIPVZAZZWJL-OAHLLOKOSA-N 0 0 372.425 3.372 10 5 FGBERN Cc1nccn1C[C@H]1CCCN1C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185462209 495585903 /nfs/dbraw/zinc/58/59/03/495585903.db2.gz PDTCVGGCHGHDRB-SWLSCSKDSA-N 0 0 360.389 3.034 10 5 FGBERN CC(C)C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1nc(-c2nc[nH]n2)no1 ZINC000179808627 495742643 /nfs/dbraw/zinc/74/26/43/495742643.db2.gz NRHDDMPBCVIKIT-BXUZGUMPSA-N 0 0 371.401 3.201 10 5 FGBERN CC[C@@H](NC(=O)NC[C@@H](O)c1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000176703019 495755426 /nfs/dbraw/zinc/75/54/26/495755426.db2.gz DAXJHKJSQVEEAR-QZTJIDSGSA-N 0 0 373.409 3.087 10 5 FGBERN C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1cccc(-n2ccnc2)c1 ZINC000173947623 495757560 /nfs/dbraw/zinc/75/75/60/495757560.db2.gz LXCNLZUFJHEAHO-CQSZACIVSA-N 0 0 350.378 3.200 10 5 FGBERN 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495921641 /nfs/dbraw/zinc/92/16/41/495921641.db2.gz XUTQVGMGPQYGPO-INIZCTEOSA-N 0 0 371.368 3.175 10 5 FGBERN CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)ncn1 ZINC000180567678 496047373 /nfs/dbraw/zinc/04/73/73/496047373.db2.gz QNKKQUGXHDLBQK-HUUCEWRRSA-N 0 0 370.457 3.055 10 5 FGBERN CC[C@H](NC(=O)COc1cccc(C(C)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000177793970 496198680 /nfs/dbraw/zinc/19/86/80/496198680.db2.gz OMQAAQWMOFJSMI-SFHVURJKSA-N 0 0 356.378 3.444 10 5 FGBERN CC[C@@H](NC(=O)CCNC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000177803181 496202604 /nfs/dbraw/zinc/20/26/04/496202604.db2.gz DMRSKYAQTZIAHP-CQSZACIVSA-N 0 0 351.403 3.077 10 5 FGBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000172387248 496277965 /nfs/dbraw/zinc/27/79/65/496277965.db2.gz STIOAVBFEKFFQF-UHFFFAOYSA-N 0 0 366.377 3.007 10 5 FGBERN CCn1cc(C2CCN(Cc3cc(OC)c(F)cc3[N+](=O)[O-])CC2)cn1 ZINC000184193754 496280185 /nfs/dbraw/zinc/28/01/85/496280185.db2.gz IWQGDIFYFXYVGZ-UHFFFAOYSA-N 0 0 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494952550 /nfs/dbraw/zinc/95/25/50/494952550.db2.gz DGRYSKKPCUKYSH-ZDUSSCGKSA-N 0 0 361.423 3.190 10 5 FGBERN Cc1nc(C[C@H]2CCCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)no1 ZINC000110290983 494965701 /nfs/dbraw/zinc/96/57/01/494965701.db2.gz ZYIWVJMNBNIXAV-LLVKDONJSA-N 0 0 364.789 3.035 10 5 FGBERN CCO[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)C12CCCC2 ZINC000122535306 494990468 /nfs/dbraw/zinc/99/04/68/494990468.db2.gz NHYQYMLIHNUYTH-NEPJUHHUSA-N 0 0 374.484 3.015 10 5 FGBERN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000127742572 494990503 /nfs/dbraw/zinc/99/05/03/494990503.db2.gz XECXEADRTPBEOG-GZMMTYOYSA-N 0 0 369.208 3.169 10 5 FGBERN Cc1c(CC(=O)NC2(c3noc(C4CC4)n3)CCCC2)cccc1[N+](=O)[O-] ZINC000127907295 495016099 /nfs/dbraw/zinc/01/60/99/495016099.db2.gz ZUKZUVCPVCLUCK-UHFFFAOYSA-N 0 0 370.409 3.292 10 5 FGBERN COC(=O)C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000128738394 495143737 /nfs/dbraw/zinc/14/37/37/495143737.db2.gz MUOSWHZNSDXITB-OAHLLOKOSA-N 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Cc1nn(C)c(C)c1[C@H]1CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000106210172 495431705 /nfs/dbraw/zinc/43/17/05/495431705.db2.gz LQAMBBIZMNOHPW-QGZVFWFLSA-N 0 0 371.441 3.029 10 5 FGBERN CCc1nccn1[C@@H]1CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000106216943 495434926 /nfs/dbraw/zinc/43/49/26/495434926.db2.gz FMIQKHVARRQQBE-MRXNPFEDSA-N 0 0 372.425 3.057 10 5 FGBERN CC(C)c1nc([C@H]2CCCN2C(=O)CCNc2ccccc2[N+](=O)[O-])no1 ZINC000173599149 495607087 /nfs/dbraw/zinc/60/70/87/495607087.db2.gz MYJTUXLQAQCPPP-OAHLLOKOSA-N 0 0 373.413 3.267 10 5 FGBERN CCc1ccc(C(=O)N2CCC[C@@H]2C[C@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000154541831 495648005 /nfs/dbraw/zinc/64/80/05/495648005.db2.gz JXLFYUVMYKTBOE-WBVHZDCISA-N 0 0 358.394 3.479 10 5 FGBERN COc1cccc(N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)c1[N+](=O)[O-] ZINC000185663458 495668777 /nfs/dbraw/zinc/66/87/77/495668777.db2.gz VVBISCAPXDAGHX-SNVBAGLBSA-N 0 0 363.320 3.099 10 5 FGBERN CCOC(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1C ZINC000173819098 495705618 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495849343 /nfs/dbraw/zinc/84/93/43/495849343.db2.gz KWAIQDYTPAXNMT-NSHDSACASA-N 0 0 362.342 3.011 10 5 FGBERN O=[N+]([O-])c1ccc(N2C[C@@H](c3ccsc3)[C@H](CO)C2)c2ccncc21 ZINC000186153575 495875348 /nfs/dbraw/zinc/87/53/48/495875348.db2.gz RFZBGEYCUCTBCJ-BBRMVZONSA-N 0 0 355.419 3.417 10 5 FGBERN Cc1ccc2oc(N3CCN(C(=O)c4csc([N+](=O)[O-])c4)CC3)nc2c1 ZINC000171787638 496036325 /nfs/dbraw/zinc/03/63/25/496036325.db2.gz RQPUOTURHLJMTK-UHFFFAOYSA-N 0 0 372.406 3.068 10 5 FGBERN CN1C(=O)CC[C@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000171986685 496118766 /nfs/dbraw/zinc/11/87/66/496118766.db2.gz BQYDPBQLQXQFNN-KSSFIOAISA-N 0 0 371.368 3.282 10 5 FGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000174858337 496135953 /nfs/dbraw/zinc/13/59/53/496135953.db2.gz RPFKQWHIKDTOGQ-CRAIPNDOSA-N 0 0 370.405 3.332 10 5 FGBERN CC[C@@H](NC(=O)c1cccc(-n2cccn2)n1)c1cccc([N+](=O)[O-])c1 ZINC000177784497 496193839 /nfs/dbraw/zinc/19/38/39/496193839.db2.gz CWKYXMQSFYKZRU-OAHLLOKOSA-N 0 0 351.366 3.057 10 5 FGBERN CC[C@@H](NC(=O)c1cccc(-n2cncn2)c1)c1cccc([N+](=O)[O-])c1 ZINC000177801454 496201716 /nfs/dbraw/zinc/20/17/16/496201716.db2.gz VPZCZSFWEJHUJF-QGZVFWFLSA-N 0 0 351.366 3.057 10 5 FGBERN CC[C@H](NC(=O)c1cc2c([nH]c1=O)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000177800927 496202724 /nfs/dbraw/zinc/20/27/24/496202724.db2.gz LIQDKWOMTYGDMC-INIZCTEOSA-N 0 0 355.394 3.043 10 5 FGBERN CC[C@@H](NC(=O)NCc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000175186655 496283630 /nfs/dbraw/zinc/28/36/30/496283630.db2.gz MRUZHVTXESGIHK-OAHLLOKOSA-N 0 0 357.366 3.274 10 5 FGBERN CC[C@H](NC(=O)C(=O)Nc1cc(F)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000178053522 496306098 /nfs/dbraw/zinc/30/60/98/496306098.db2.gz XWYHXQBYVDPJAM-HNNXBMFYSA-N 0 0 363.320 3.079 10 5 FGBERN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCC[C@H]1c1nccs1 ZINC000175382359 496366162 /nfs/dbraw/zinc/36/61/62/496366162.db2.gz IKBNSQDCCFQKCN-ZDUSSCGKSA-N 0 0 367.452 3.276 10 5 FGBERN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@@H]1c1nccs1 ZINC000175387467 496368354 /nfs/dbraw/zinc/36/83/54/496368354.db2.gz CNEZZEIRHOYJKC-CYBMUJFWSA-N 0 0 367.452 3.276 10 5 FGBERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1c([N+](=O)[O-])cnn1C ZINC000184412411 496373257 /nfs/dbraw/zinc/37/32/57/496373257.db2.gz LJRCUCAVBDNREX-SSDOTTSWSA-N 0 0 359.169 3.041 10 5 FGBERN C[C@@H](COCc1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000172781605 496429184 /nfs/dbraw/zinc/42/91/84/496429184.db2.gz DBVWYSAFOHBBLA-ZDUSSCGKSA-N 0 0 355.394 3.497 10 5 FGBERN C[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)c1cccc(-n2ccnc2)c1 ZINC000175974367 496625108 /nfs/dbraw/zinc/62/51/08/496625108.db2.gz JWVSHQMYDIQLCC-CQSZACIVSA-N 0 0 365.393 3.341 10 5 FGBERN O=[N+]([O-])c1ccc(-c2nnc(CN3CCCC[C@H]3c3cn[nH]c3)o2)cc1 ZINC000173400146 496676422 /nfs/dbraw/zinc/67/64/22/496676422.db2.gz LPFYLYDVCHIRLL-HNNXBMFYSA-N 0 0 354.370 3.095 10 5 FGBERN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000173431149 496689627 /nfs/dbraw/zinc/68/96/27/496689627.db2.gz FDMCQHOXTJBUAL-LBPRGKRZSA-N 0 0 361.423 3.388 10 5 FGBERN O=[N+]([O-])c1ccc(NCc2ccc(Cn3ccnc3)cc2)c([N+](=O)[O-])c1 ZINC000247291566 496825970 /nfs/dbraw/zinc/82/59/70/496825970.db2.gz BEXDHAVKRAAMSW-UHFFFAOYSA-N 0 0 353.338 3.360 10 5 FGBERN COC(=O)[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccccc1 ZINC000195325791 496889382 /nfs/dbraw/zinc/88/93/82/496889382.db2.gz JYLMZECYNKMPBE-INIZCTEOSA-N 0 0 370.386 3.454 10 5 FGBERN CC[C@@H](NS(=O)(=O)c1cc(C)ccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000195337717 496894689 /nfs/dbraw/zinc/89/46/89/496894689.db2.gz FWMSKYICVAMJBG-OAHLLOKOSA-N 0 0 364.423 3.341 10 5 FGBERN CC[C@@H](NC(=O)Nc1ccn([C@H](C)COC)n1)c1cccc([N+](=O)[O-])c1 ZINC000189861830 497271781 /nfs/dbraw/zinc/27/17/81/497271781.db2.gz WTECNXWYYJQRKB-IUODEOHRSA-N 0 0 361.402 3.272 10 5 FGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CCCc2ccccc21 ZINC000193401513 497370498 /nfs/dbraw/zinc/37/04/98/497370498.db2.gz PEXGTTZZZGAFFP-QGZVFWFLSA-N 0 0 355.394 3.480 10 5 FGBERN CCOc1ccccc1C1=CCN(c2ccc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000301082643 497943797 /nfs/dbraw/zinc/94/37/97/497943797.db2.gz IPVZMOSCILFUID-UHFFFAOYSA-N 0 0 367.405 3.386 10 5 FGBERN C[C@@H]1C[C@@H](c2ccccc2F)N(c2nc3ccccn3c(=O)c2[N+](=O)[O-])C1 ZINC000301466368 498121840 /nfs/dbraw/zinc/12/18/40/498121840.db2.gz LTZHOQJZSNBIMS-DOMZBBRYSA-N 0 0 368.368 3.329 10 5 FGBERN O=C(NCC(F)(F)F)[C@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000301475368 498126163 /nfs/dbraw/zinc/12/61/63/498126163.db2.gz SDMSQYULXVAXDK-VIFPVBQESA-N 0 0 365.739 3.143 10 5 FGBERN O=C(NCC(F)(F)F)[C@@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000301475367 498126220 /nfs/dbraw/zinc/12/62/20/498126220.db2.gz SDMSQYULXVAXDK-SECBINFHSA-N 0 0 365.739 3.143 10 5 FGBERN CC(=O)c1c(I)cc([N+](=O)[O-])cc1OC(F)F ZINC000575663832 505988802 /nfs/dbraw/zinc/98/88/02/505988802.db2.gz NZZMFASTDFZCEU-UHFFFAOYSA-N 0 0 357.050 3.003 10 5 FGBERN COc1cc(F)c([N+](=O)[O-])c(N[C@@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000301624313 498194247 /nfs/dbraw/zinc/19/42/47/498194247.db2.gz AFXMKNXMFAQFIY-NSHDSACASA-N 0 0 357.345 3.496 10 5 FGBERN CCOC(=O)[C@]1(C)CCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000301735520 498244355 /nfs/dbraw/zinc/24/43/55/498244355.db2.gz AZIGELMMORJVGR-CQSZACIVSA-N 0 0 357.204 3.137 10 5 FGBERN C[C@@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1nnc2n1CCCC2 ZINC000301965435 498346638 /nfs/dbraw/zinc/34/66/38/498346638.db2.gz UTOKPWOZSCEPLB-SECBINFHSA-N 0 0 353.329 3.297 10 5 FGBERN Cc1cc(N2CCC(C(=O)NC(C)C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000301985279 498357349 /nfs/dbraw/zinc/35/73/49/498357349.db2.gz CKLSNGXBAXQLRO-UHFFFAOYSA-N 0 0 356.426 3.192 10 5 FGBERN CCc1ccc(CN2CCN(c3cc(CO)ccc3[N+](=O)[O-])CC2)s1 ZINC000302080234 498398446 /nfs/dbraw/zinc/39/84/46/498398446.db2.gz ZWMGMHZPQJDNKF-UHFFFAOYSA-N 0 0 361.467 3.033 10 5 FGBERN COC(=O)c1ccc(F)c(CNc2cc(OC)c(F)cc2[N+](=O)[O-])c1 ZINC000302179402 498430682 /nfs/dbraw/zinc/43/06/82/498430682.db2.gz NNTWNDUXBVURHA-UHFFFAOYSA-N 0 0 352.293 3.280 10 5 FGBERN CCOc1cccc(NCC(=O)N2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000302212254 498445468 /nfs/dbraw/zinc/44/54/68/498445468.db2.gz HHDPBPHLAJIUEW-UHFFFAOYSA-N 0 0 361.423 3.052 10 5 FGBERN COC(=O)c1cnc(N2C[C@@H](c3ccc(OC)cc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000302786431 498574120 /nfs/dbraw/zinc/57/41/20/498574120.db2.gz WFKBQXPLBLNUQS-WFASDCNBSA-N 0 0 371.393 3.167 10 5 FGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000302819169 498586635 /nfs/dbraw/zinc/58/66/35/498586635.db2.gz JHBZRAYTWHYWRT-MRXNPFEDSA-N 0 0 350.806 3.042 10 5 FGBERN O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000379604917 499542416 /nfs/dbraw/zinc/54/24/16/499542416.db2.gz ASQFFXPIHGDZPR-OAHLLOKOSA-N 0 0 370.409 3.155 10 5 FGBERN CCOC(=O)[C@@H](C(=O)c1ccc(F)cc1)[C@H](C[N+](=O)[O-])c1ccccc1 ZINC000584661008 507437867 /nfs/dbraw/zinc/43/78/67/507437867.db2.gz HMMIJVGHPWNWAM-IAGOWNOFSA-N 0 0 359.353 3.248 10 5 FGBERN O=C(CN1CCC[C@@H](C(F)(F)F)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000016591605 695630574 /nfs/dbraw/zinc/63/05/74/695630574.db2.gz WDYQNBPQUKCZEQ-SECBINFHSA-N 0 0 365.739 3.461 10 5 FGBERN CC1(C)CO[C@H](c2ccccc2Cl)CN1Cn1cc([N+](=O)[O-])cn1 ZINC000077209454 700247968 /nfs/dbraw/zinc/24/79/68/700247968.db2.gz MVKYRXUOVYKYHP-HNNXBMFYSA-N 0 0 350.806 3.254 10 5 FGBERN Cc1ccc([C@H](C)NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1F ZINC000119473036 700630046 /nfs/dbraw/zinc/63/00/46/700630046.db2.gz OIFNCNXNGLCYOV-JTQLQIEISA-N 0 0 356.350 3.221 10 5 FGBERN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000119559196 700632747 /nfs/dbraw/zinc/63/27/47/700632747.db2.gz FZTGMEIBLNJKNM-AWEZNQCLSA-N 0 0 368.361 3.229 10 5 FGBERN C[C@H](CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000172511880 705421423 /nfs/dbraw/zinc/42/14/23/705421423.db2.gz RQQFFQZRTUCBQC-SNVBAGLBSA-N 0 0 371.821 3.281 10 5 FGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCCC[C@H]1CO ZINC000183609366 705893264 /nfs/dbraw/zinc/89/32/64/705893264.db2.gz SRQPGJOCZORDSV-CMPLNLGQSA-N 0 0 358.847 3.008 10 5 FGBERN COc1ccc(C)cc1[C@H](C)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000028064369 493775219 /nfs/dbraw/zinc/77/52/19/493775219.db2.gz AYTHUTUUNPIFGI-NSHDSACASA-N 0 0 354.366 3.279 10 5 FGBERN CCCCCNC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000028652045 493795082 /nfs/dbraw/zinc/79/50/82/493795082.db2.gz YHIFYRDOMNJBIW-HNNXBMFYSA-N 0 0 369.849 3.309 10 5 FGBERN C[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)s1 ZINC000041757629 494174777 /nfs/dbraw/zinc/17/47/77/494174777.db2.gz ZIVUIBIDOKPCKP-QMMMGPOBSA-N 0 0 353.787 3.126 10 5 FGBERN Cc1cc(NC[C@](C)(O)c2ccco2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000078375607 494289010 /nfs/dbraw/zinc/28/90/10/494289010.db2.gz LDMZNEHLTDTFIL-SFHVURJKSA-N 0 0 354.366 3.273 10 5 FGBERN CC[C@H](NC(=O)CNC(=O)CCC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000090466387 494470378 /nfs/dbraw/zinc/47/03/78/494470378.db2.gz MRESWSDTXMQJSW-KRWDZBQOSA-N 0 0 361.442 3.249 10 5 FGBERN CC[C@H](NC(=O)N1CCO[C@H](c2ccco2)C1)c1cccc([N+](=O)[O-])c1 ZINC000090684601 494493080 /nfs/dbraw/zinc/49/30/80/494493080.db2.gz HQSJMQSSEVXIHG-RDJZCZTQSA-N 0 0 359.382 3.422 10 5 FGBERN COc1cccc2c1CC[C@@H]2Nc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000126197504 494668949 /nfs/dbraw/zinc/66/89/49/494668949.db2.gz TUHYPNITJUAEEI-AWEZNQCLSA-N 0 0 362.407 3.106 10 5 FGBERN CCCC(=O)N[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000092708712 494721961 /nfs/dbraw/zinc/72/19/61/494721961.db2.gz UWASEJGMZFJWNV-CYBMUJFWSA-N 0 0 371.384 3.077 10 5 FGBERN C[C@H]1C[C@@H]1NC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC000075518460 494783316 /nfs/dbraw/zinc/78/33/16/494783316.db2.gz MYNDCFGYUWTHER-LRDDRELGSA-N 0 0 367.405 3.030 10 5 FGBERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)C2)n1 ZINC000116996049 494880287 /nfs/dbraw/zinc/88/02/87/494880287.db2.gz ZLBASGVKJURHQW-OAHLLOKOSA-N 0 0 372.429 3.056 10 5 FGBERN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)cc1 ZINC000122001836 494907926 /nfs/dbraw/zinc/90/79/26/494907926.db2.gz 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0 364.442 3.352 10 5 FGBERN CC[C@@H](NC(=O)N(C)[C@H]1CCCc2c1cnn2C)c1cccc([N+](=O)[O-])c1 ZINC000159460702 495736454 /nfs/dbraw/zinc/73/64/54/495736454.db2.gz ITAOXTGIVFJPCS-SJORKVTESA-N 0 0 371.441 3.498 10 5 FGBERN CC[C@@H](NC(=O)Nc1cccc(C(=O)NC)c1)c1cccc([N+](=O)[O-])c1 ZINC000176698102 495752915 /nfs/dbraw/zinc/75/29/15/495752915.db2.gz HXRJDXLRHZFPHF-MRXNPFEDSA-N 0 0 356.382 3.227 10 5 FGBERN CC[C@@H](NC(=O)N(CCCO)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000176706456 495756111 /nfs/dbraw/zinc/75/61/11/495756111.db2.gz YJCSDMAGLAYKCJ-MRXNPFEDSA-N 0 0 351.447 3.486 10 5 FGBERN CC[C@@H](NC(=O)NC[C@@H](CO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000176707681 495756310 /nfs/dbraw/zinc/75/63/10/495756310.db2.gz YZIOBDANMKZMEK-FUHWJXTLSA-N 0 0 357.410 3.121 10 5 FGBERN CC[C@@H](NC(=O)N1CCC[C@H]1c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000176709078 495757611 /nfs/dbraw/zinc/75/76/11/495757611.db2.gz JPRCYNRNEOHQEU-SJORKVTESA-N 0 0 357.414 3.326 10 5 FGBERN Cc1ccc([C@@H](C)OC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)cc1[N+](=O)[O-] ZINC000176947239 495852334 /nfs/dbraw/zinc/85/23/34/495852334.db2.gz MYLKNIVBYRYTCO-CZUORRHYSA-N 0 0 360.410 3.156 10 5 FGBERN CCc1ccc(C(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)cc1[N+](=O)[O-] ZINC000174198887 495860629 /nfs/dbraw/zinc/86/06/29/495860629.db2.gz UXODNANOGZIUGT-MRXNPFEDSA-N 0 0 356.426 3.485 10 5 FGBERN COC(=O)c1cc(NC[C@](C)(O)c2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000160150544 495896874 /nfs/dbraw/zinc/89/68/74/495896874.db2.gz HAUSUCVHKGXIHE-KRWDZBQOSA-N 0 0 364.785 3.354 10 5 FGBERN Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177058418 495905713 /nfs/dbraw/zinc/90/57/13/495905713.db2.gz UMGYTURPKZHUGH-OAHLLOKOSA-N 0 0 355.398 3.423 10 5 FGBERN CCC[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)OC(C)(C)C ZINC000155331488 495922747 /nfs/dbraw/zinc/92/27/47/495922747.db2.gz MWEUAQBPQVXBHO-HNNXBMFYSA-N 0 0 361.398 3.316 10 5 FGBERN Cc1ccc2c(c1)O[C@@H](C)CN2S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000155456401 495962343 /nfs/dbraw/zinc/96/23/43/495962343.db2.gz ZQKSKHVNKPQMNL-ZDUSSCGKSA-N 0 0 362.407 3.021 10 5 FGBERN Cc1ccc2c(c1)[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C2 ZINC000180592020 496059277 /nfs/dbraw/zinc/05/92/77/496059277.db2.gz UBTNAPSSFWKDGS-SCLBCKFNSA-N 0 0 360.435 3.256 10 5 FGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000171986662 496119002 /nfs/dbraw/zinc/11/90/02/496119002.db2.gz LBADPZGSCONNAL-LPHOPBHVSA-N 0 0 367.405 3.451 10 5 FGBERN CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000177706660 496165801 /nfs/dbraw/zinc/16/58/01/496165801.db2.gz CDBVQGXAECCDFV-XJKSGUPXSA-N 0 0 359.430 3.122 10 5 FGBERN CC[C@@H](NC(=O)[C@H]1COc2cc(OC)ccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000177808254 496204369 /nfs/dbraw/zinc/20/43/69/496204369.db2.gz NGVHMTXDHDALAS-CRAIPNDOSA-N 0 0 370.405 3.422 10 5 FGBERN Cc1nc(C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)C2)no1 ZINC000156398772 496234088 /nfs/dbraw/zinc/23/40/88/496234088.db2.gz VNUFFTUNYBPURP-NSHDSACASA-N 0 0 364.789 3.035 10 5 FGBERN Cn1cc([C@@H]2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C2)cn1 ZINC000172263274 496234517 /nfs/dbraw/zinc/23/45/17/496234517.db2.gz HFQGMDOHHASEIU-LLVKDONJSA-N 0 0 356.407 3.173 10 5 FGBERN O=C(N[C@@H]1COc2ccccc21)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000153460472 496463618 /nfs/dbraw/zinc/46/36/18/496463618.db2.gz LBLKXSUWYORUPR-CYBMUJFWSA-N 0 0 363.167 3.221 10 5 FGBERN CC[C@@H](NC(=O)N[C@H](C)c1nnc2ccccn21)c1cccc([N+](=O)[O-])c1 ZINC000175652437 496485387 /nfs/dbraw/zinc/48/53/87/496485387.db2.gz HIWDPPJMXLTWEK-IUODEOHRSA-N 0 0 368.397 3.149 10 5 FGBERN CCOc1ccc(C(=O)N[C@H](C)COCc2ccccc2)cc1[N+](=O)[O-] ZINC000172955935 496500464 /nfs/dbraw/zinc/50/04/64/496500464.db2.gz WXDWVVPQSVRXRI-CQSZACIVSA-N 0 0 358.394 3.329 10 5 FGBERN CC[C@@H](NC(=O)N[C@H](C)c1nnc2n1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000153568123 496501744 /nfs/dbraw/zinc/50/17/44/496501744.db2.gz POKBKSYIYCSVQF-IUODEOHRSA-N 0 0 372.429 3.034 10 5 FGBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000184756464 496519725 /nfs/dbraw/zinc/51/97/25/496519725.db2.gz LMAKLOIZICXSSE-YJBOKZPZSA-N 0 0 356.426 3.261 10 5 FGBERN CCc1ccc(C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000187730499 496548901 /nfs/dbraw/zinc/54/89/01/496548901.db2.gz DUUFMUSVHUMKSB-HOTGVXAUSA-N 0 0 360.435 3.067 10 5 FGBERN C[C@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000178931803 496621048 /nfs/dbraw/zinc/62/10/48/496621048.db2.gz VXJCCPDKRDVGLJ-LBPRGKRZSA-N 0 0 368.842 3.471 10 5 FGBERN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H]1c1cnn(C)c1 ZINC000173315921 496640084 /nfs/dbraw/zinc/64/00/84/496640084.db2.gz KXZSVWCFERCSID-BLLLJJGKSA-N 0 0 368.397 3.276 10 5 FGBERN O=C(Nc1cccc([N+](=O)[O-])c1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000154002616 496650790 /nfs/dbraw/zinc/65/07/90/496650790.db2.gz ISIZMSFQKYUXOW-BBRMVZONSA-N 0 0 363.320 3.213 10 5 FGBERN CCOc1ccc([C@@H](C)N[C@@H](C)c2nnc3n2CCCC3)cc1[N+](=O)[O-] ZINC000154053428 496668671 /nfs/dbraw/zinc/66/86/71/496668671.db2.gz KPRKRWNHOSDTQD-OLZOCXBDSA-N 0 0 359.430 3.333 10 5 FGBERN O=C(N[C@@H]1CCOc2ccccc21)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000179240236 496719302 /nfs/dbraw/zinc/71/93/02/496719302.db2.gz OXNQNHADPIVPEZ-CQSZACIVSA-N 0 0 364.361 3.034 10 5 FGBERN CCc1nccn1[C@H]1CCCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000185257996 496719523 /nfs/dbraw/zinc/71/95/23/496719523.db2.gz TVLVAJQGLMLHBD-ZFWWWQNUSA-N 0 0 374.416 3.460 10 5 FGBERN O=C(N[C@@H]1COc2ccccc21)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000194862563 496740278 /nfs/dbraw/zinc/74/02/78/496740278.db2.gz KISJSEPMOXYLBS-MRXNPFEDSA-N 0 0 367.405 3.061 10 5 FGBERN CCn1cc([C@H]2CN(Cc3ccc([N+](=O)[O-])cc3Cl)CCO2)cn1 ZINC000191707905 496861193 /nfs/dbraw/zinc/86/11/93/496861193.db2.gz MURMMSVNBLIHJO-MRXNPFEDSA-N 0 0 350.806 3.038 10 5 FGBERN Cc1nc(C[C@@H]2CCCN(c3ccc4ncccc4c3[N+](=O)[O-])C2)no1 ZINC000264941944 497015070 /nfs/dbraw/zinc/01/50/70/497015070.db2.gz RZTTUYHSBLYSIS-ZDUSSCGKSA-N 0 0 353.382 3.294 10 5 FGBERN COC(=O)[C@]1(C)CCCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000189992990 497317705 /nfs/dbraw/zinc/31/77/05/497317705.db2.gz ZMZZQHCILRATET-KRWDZBQOSA-N 0 0 361.423 3.246 10 5 FGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263544686 497798668 /nfs/dbraw/zinc/79/86/68/497798668.db2.gz GEDIGGZHMIJKBI-UHFFFAOYSA-N 0 0 367.833 3.296 10 5 FGBERN COC(=O)c1cc(N2C[C@@H](C)O[C@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000301129466 497964805 /nfs/dbraw/zinc/96/48/05/497964805.db2.gz SOBLVBLPEDFZHP-ACJLOTCBSA-N 0 0 356.378 3.348 10 5 FGBERN Cc1cc(N[C@@H]2CCc3n[nH]cc3C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301296379 498044288 /nfs/dbraw/zinc/04/42/88/498044288.db2.gz SFLNCVNXXZTSOC-CQSZACIVSA-N 0 0 350.382 3.053 10 5 FGBERN CCS[C@H]1CC[C@@]1(O)CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000301481558 498128726 /nfs/dbraw/zinc/12/87/26/498128726.db2.gz FBGWWACDBPYWEJ-QWHCGFSZSA-N 0 0 361.261 3.416 10 5 FGBERN Cc1cc(N2CCC[C@H]2Cn2ccnc2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301584930 498175454 /nfs/dbraw/zinc/17/54/54/498175454.db2.gz VUNGQIMHZMUGOT-KRWDZBQOSA-N 0 0 364.409 3.226 10 5 FGBERN O=[N+]([O-])c1ccc2nc(NCc3ccnc(O[C@@H]4CCOC4)c3)ccc2c1 ZINC000301898832 498317730 /nfs/dbraw/zinc/31/77/30/498317730.db2.gz SOTCCAKGANGKHX-MRXNPFEDSA-N 0 0 366.377 3.318 10 5 FGBERN CCCC(=O)N[C@@H]1CCCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])C1 ZINC000302039811 498380366 /nfs/dbraw/zinc/38/03/66/498380366.db2.gz WAHMKSFJZMCBPP-CQSZACIVSA-N 0 0 356.426 3.337 10 5 FGBERN COC(=O)[C@]12CCC[C@H]1CN(c1ccc([N+](=O)[O-])cc1C(F)(F)F)C2 ZINC000302199752 498439219 /nfs/dbraw/zinc/43/92/19/498439219.db2.gz USDYUBMLNMAVEY-BONVTDFDSA-N 0 0 358.316 3.393 10 5 FGBERN O=C(COc1ccccc1[N+](=O)[O-])Oc1ccc(F)cc1Br ZINC000044672744 695811257 /nfs/dbraw/zinc/81/12/57/695811257.db2.gz OPTYGIDYJOXQJV-UHFFFAOYSA-N 0 0 370.130 3.481 10 5 FGBERN Cc1ccc([C@H](C)OC(=O)[C@H](C)NC(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000084851922 700363799 /nfs/dbraw/zinc/36/37/99/700363799.db2.gz CIGLRBLGOHPKMW-RYUDHWBXSA-N 0 0 362.407 3.387 10 5 FGBERN Nc1ccc(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000168763418 705349710 /nfs/dbraw/zinc/34/97/10/705349710.db2.gz NFCVNBGNFKRKKK-CQSZACIVSA-N 0 0 353.300 3.080 10 5 FGBERN CCc1nc(C2(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CCCC2)no1 ZINC000175137137 705534280 /nfs/dbraw/zinc/53/42/80/705534280.db2.gz WJKMLJDPLOVRPB-UHFFFAOYSA-N 0 0 364.789 3.393 10 5 FGBERN Cc1csc([C@H](OC(=O)c2ccc(N)c([N+](=O)[O-])c2)C(F)(F)F)n1 ZINC000175488056 705549283 /nfs/dbraw/zinc/54/92/83/705549283.db2.gz NAEVGFRLNQZIPR-JTQLQIEISA-N 0 0 361.301 3.402 10 5 FGBERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)OCCn1cc([N+](=O)[O-])cn1 ZINC000177741678 705637720 /nfs/dbraw/zinc/63/77/20/705637720.db2.gz KLDZHOUZZPSNIS-SECBINFHSA-N 0 0 374.180 3.109 10 5 FGBERN COc1cc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000178397665 705663645 /nfs/dbraw/zinc/66/36/45/705663645.db2.gz KEJGZKTZFVOHLQ-LBPRGKRZSA-N 0 0 351.403 3.097 10 5 FGBERN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000181450831 705794241 /nfs/dbraw/zinc/79/42/41/705794241.db2.gz YIXZCWSHZBBSGB-WFASDCNBSA-N 0 0 352.456 3.376 10 5 FGBERN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CCCC[C@@H]1O ZINC000183284805 705886626 /nfs/dbraw/zinc/88/66/26/705886626.db2.gz RJAVMUVYWWINRO-GWCFXTLKSA-N 0 0 358.847 3.008 10 5 FGBERN CCC[C@@H]1C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000231691809 713577791 /nfs/dbraw/zinc/57/77/91/713577791.db2.gz OLDADTADJRYOQL-PRHODGIISA-N 0 0 374.178 3.118 10 5 FGBERN Cc1ccc([C@H](C)OC(=O)[C@@H](C)OC[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000246389487 713623212 /nfs/dbraw/zinc/62/32/12/713623212.db2.gz JUAJKCRXEGJEDW-SQWLQELKSA-N 0 0 351.399 3.482 10 5 FGBERN O=[N+]([O-])c1ccc2c(c1)CCN2C(=S)N[C@@H]1C[C@H]2C[C@@H]1[C@H]1C=CC[C@H]21 ZINC000004336001 219568261 /nfs/dbraw/zinc/56/82/61/219568261.db2.gz WUNPKLOXXFBLCB-USACIQFYSA-N 0 0 355.463 3.433 10 5 FGBERN N=C1NC(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OCc2ccccc2)S1 ZINC000015055907 220142549 /nfs/dbraw/zinc/14/25/49/220142549.db2.gz RKLBDYZOTQPYDM-DHDCSXOGSA-N 0 0 355.375 3.312 10 5 FGBERN Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)c1 ZINC000020373414 220323809 /nfs/dbraw/zinc/32/38/09/220323809.db2.gz HHSLSMCUAYCUMD-AWEZNQCLSA-N 0 0 353.378 3.203 10 5 FGBERN CC1(C)N(CCO)c2ccccc2[C@]12C=Cc1cc([N+](=O)[O-])ccc1O2 ZINC000020551668 220334131 /nfs/dbraw/zinc/33/41/31/220334131.db2.gz FVRMOFLIBONFHW-HXUWFJFHSA-N 0 0 352.390 3.487 10 5 FGBERN O=[N+]([O-])c1cc(CO)ccc1Oc1ccccc1I ZINC000035454663 220784373 /nfs/dbraw/zinc/78/43/73/220784373.db2.gz BEHBHJXAFYOQON-UHFFFAOYSA-N 0 0 371.130 3.484 10 5 FGBERN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1nc2ccccc2[nH]1 ZINC000044193560 257340448 /nfs/dbraw/zinc/34/04/48/257340448.db2.gz WJZXHONOTUSDJJ-GFCCVEGCSA-N 0 0 360.395 3.288 10 5 FGBERN Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(Cl)s2)cc1[N+](=O)[O-] ZINC000041757641 494175150 /nfs/dbraw/zinc/17/51/50/494175150.db2.gz DNZHCIBNLUUMQY-VIFPVBQESA-N 0 0 367.814 3.434 10 5 FGBERN CCOC(=O)C(CC(C)C)(C(=O)OCC)c1cc(F)c([N+](=O)[O-])cc1F ZINC000088282953 494224664 /nfs/dbraw/zinc/22/46/64/494224664.db2.gz AXKJENAKVJJAIH-UHFFFAOYSA-N 0 0 373.352 3.283 10 5 FGBERN Cc1nc([C@H](C)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cs1 ZINC000078562590 494320361 /nfs/dbraw/zinc/32/03/61/494320361.db2.gz FDRKIPWDKDVLQG-NSHDSACASA-N 0 0 360.439 3.451 10 5 FGBERN CC[C@H](NS(=O)(=O)c1cc(F)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000090223319 494456572 /nfs/dbraw/zinc/45/65/72/494456572.db2.gz MICDEZMGIMSAMD-HNNXBMFYSA-N 0 0 356.350 3.303 10 5 FGBERN CC[C@H](NC(=O)c1ccc(CNC(C)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000090467568 494470384 /nfs/dbraw/zinc/47/03/84/494470384.db2.gz ZAJWOIYLVLWUAG-SFHVURJKSA-N 0 0 355.394 3.112 10 5 FGBERN CC[C@@H](NC(=O)c1cc2c(cc1F)NC(=O)CC2)c1cccc([N+](=O)[O-])c1 ZINC000131503162 494641780 /nfs/dbraw/zinc/64/17/80/494641780.db2.gz LOUURNBAKRGLSW-MRXNPFEDSA-N 0 0 371.368 3.500 10 5 FGBERN Cc1c(C(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cccc1[N+](=O)[O-] ZINC000091756865 494667689 /nfs/dbraw/zinc/66/76/89/494667689.db2.gz MVIAKPXYKVNEFS-SJKOYZFVSA-N 0 0 362.332 3.130 10 5 FGBERN Cc1cc(C(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)ccc1[N+](=O)[O-] ZINC000091777105 494677865 /nfs/dbraw/zinc/67/78/65/494677865.db2.gz UFFBJUSZLRESSU-SUMWQHHRSA-N 0 0 362.332 3.130 10 5 FGBERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)C2)n1 ZINC000116996047 494880834 /nfs/dbraw/zinc/88/08/34/494880834.db2.gz ZLBASGVKJURHQW-HNNXBMFYSA-N 0 0 372.429 3.056 10 5 FGBERN CSc1ccc(C(=O)N2CCC[C@@H](n3cc(C)cn3)C2)cc1[N+](=O)[O-] ZINC000109680329 494906888 /nfs/dbraw/zinc/90/68/88/494906888.db2.gz ZXAJLSHCUOPJSL-CQSZACIVSA-N 0 0 360.439 3.299 10 5 FGBERN CN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ncccc1[N+](=O)[O-] ZINC000095075144 494958010 /nfs/dbraw/zinc/95/80/10/494958010.db2.gz JMRAKXINAHSMNE-ZDUSSCGKSA-N 0 0 350.419 3.073 10 5 FGBERN CCc1nccn1[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000110585875 494991818 /nfs/dbraw/zinc/99/18/18/494991818.db2.gz NYXZITUJFSHYTN-CQSZACIVSA-N 0 0 369.425 3.080 10 5 FGBERN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)c(F)c2)c([N+](=O)[O-])c1 ZINC000119485481 495175914 /nfs/dbraw/zinc/17/59/14/495175914.db2.gz IULGCHCBKXUOML-NSHDSACASA-N 0 0 368.386 3.090 10 5 FGBERN C[C@H](c1cc(F)ccc1F)N(C)c1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000123880438 495201032 /nfs/dbraw/zinc/20/10/32/495201032.db2.gz APWOEDWAEVTRAU-SNVBAGLBSA-N 0 0 370.377 3.474 10 5 FGBERN CC(C)c1nc2c(n1C)CCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000112725617 495230139 /nfs/dbraw/zinc/23/01/39/495230139.db2.gz KTHSLGOORIWWSC-UHFFFAOYSA-N 0 0 362.817 3.304 10 5 FGBERN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC(Nc2cccnn2)CC1 ZINC000106080129 495410417 /nfs/dbraw/zinc/41/04/17/495410417.db2.gz XLIYHJOKPOYNJO-UHFFFAOYSA-N 0 0 371.441 3.249 10 5 FGBERN CCc1nccn1[C@H]1CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000136958019 495412454 /nfs/dbraw/zinc/41/24/54/495412454.db2.gz MNPIHDPYPOYXPO-LBPRGKRZSA-N 0 0 362.817 3.484 10 5 FGBERN COc1cccc(F)c1[C@H](C)Nc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000125562256 495463325 /nfs/dbraw/zinc/46/33/25/495463325.db2.gz DIQFDIXVDBDSHG-JTQLQIEISA-N 0 0 368.386 3.319 10 5 FGBERN Cc1ccc(O[C@@H](C)CNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)cc1 ZINC000125589272 495467555 /nfs/dbraw/zinc/46/75/55/495467555.db2.gz WWKOYFAUCOANKT-ZDUSSCGKSA-N 0 0 364.423 3.186 10 5 FGBERN Cc1ccccc1[C@H](C)NC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000120850672 495470933 /nfs/dbraw/zinc/47/09/33/495470933.db2.gz ZJMSFBRHRBVOTM-AWEZNQCLSA-N 0 0 355.394 3.336 10 5 FGBERN CC(C)(C)OC(=O)N1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000141155026 495502620 /nfs/dbraw/zinc/50/26/20/495502620.db2.gz CZLFYOSDGDJMGI-UHFFFAOYSA-N 0 0 358.398 3.200 10 5 FGBERN Cc1csc([C@@H]2CCCN(C(=O)COc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000173590592 495602229 /nfs/dbraw/zinc/60/22/29/495602229.db2.gz PROZUXGIYSOEIQ-CYBMUJFWSA-N 0 0 361.423 3.145 10 5 FGBERN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000185514731 495606166 /nfs/dbraw/zinc/60/61/66/495606166.db2.gz FSSSQJNBMBNMRV-APWZRJJASA-N 0 0 369.421 3.238 10 5 FGBERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000176661362 495738804 /nfs/dbraw/zinc/73/88/04/495738804.db2.gz PDGLGDGQYFXZPE-GFCCVEGCSA-N 0 0 371.422 3.228 10 5 FGBERN C[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000151308340 495801047 /nfs/dbraw/zinc/80/10/47/495801047.db2.gz UPELUVCGFIOLLR-SNVBAGLBSA-N 0 0 356.350 3.054 10 5 FGBERN C[C@@H](COCc1ccccc1)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000174139529 495834633 /nfs/dbraw/zinc/83/46/33/495834633.db2.gz MQKCMXLPGIOGKT-HNNXBMFYSA-N 0 0 357.410 3.342 10 5 FGBERN CCC[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000155535225 495987015 /nfs/dbraw/zinc/98/70/15/495987015.db2.gz KPQVVYQKODMZGI-GFCCVEGCSA-N 0 0 356.806 3.488 10 5 FGBERN CCC[C@@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C(=O)OC(C)(C)C ZINC000183643151 496059641 /nfs/dbraw/zinc/05/96/41/496059641.db2.gz ZYMOWKGWBOHRIT-XHDPSFHLSA-N 0 0 368.405 3.464 10 5 FGBERN CC(C)c1nc([C@H]2CCCN2C(=O)NCCc2ccc([N+](=O)[O-])cc2)no1 ZINC000177439783 496062184 /nfs/dbraw/zinc/06/21/84/496062184.db2.gz JBBCUFBFQBVCCT-OAHLLOKOSA-N 0 0 373.413 3.190 10 5 FGBERN CCCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)OC(C)(C)C ZINC000161130805 496109767 /nfs/dbraw/zinc/10/97/67/496109767.db2.gz WURGHJSAIOUWBV-CQSZACIVSA-N 0 0 354.378 3.364 10 5 FGBERN CC[C@H](NC(=O)N1CCC[C@@H]1Cn1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000177594217 496126162 /nfs/dbraw/zinc/12/61/62/496126162.db2.gz QTQXYKWPMWVFHP-SJORKVTESA-N 0 0 357.414 3.117 10 5 FGBERN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000174865550 496140143 /nfs/dbraw/zinc/14/01/43/496140143.db2.gz KYHVKBZFAQTTEL-MAUKXSAKSA-N 0 0 358.369 3.462 10 5 FGBERN CC[C@@H](NC(=O)[C@H](C)NC(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000177790752 496197762 /nfs/dbraw/zinc/19/77/62/496197762.db2.gz XTONVXYTMMACFN-SMDDNHRTSA-N 0 0 361.423 3.042 10 5 FGBERN CC[C@@H](NC(=O)Cn1nc(C)c(Cl)c1C)c1cccc([N+](=O)[O-])c1 ZINC000177800485 496202093 /nfs/dbraw/zinc/20/20/93/496202093.db2.gz ROJXUGAXWSSOPP-CQSZACIVSA-N 0 0 350.806 3.329 10 5 FGBERN CCOc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H](c2nc(C)cs2)C1 ZINC000175145790 496266256 /nfs/dbraw/zinc/26/62/56/496266256.db2.gz OQUREVCGZSSWHX-MRXNPFEDSA-N 0 0 363.439 3.332 10 5 FGBERN CC(C)c1nc(C2(NC(=O)COc3ccc([N+](=O)[O-])cc3)CCCC2)no1 ZINC000175190984 496284158 /nfs/dbraw/zinc/28/41/58/496284158.db2.gz YSRZIPFBMRJINS-UHFFFAOYSA-N 0 0 374.397 3.066 10 5 FGBERN CCn1c(C)nnc1CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC ZINC000178295030 496402378 /nfs/dbraw/zinc/40/23/78/496402378.db2.gz YQXCTCUOULXGNZ-UHFFFAOYSA-N 0 0 373.442 3.085 10 5 FGBERN Cc1noc([C@H]2COCCN2Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000188478708 496803101 /nfs/dbraw/zinc/80/31/01/496803101.db2.gz QPTRGJZJRKQVNX-MRXNPFEDSA-N 0 0 370.365 3.120 10 5 FGBERN O=C(N[C@H]1COc2ccccc21)c1cc([N+](=O)[O-])ccc1Br ZINC000195338275 496893672 /nfs/dbraw/zinc/89/36/72/496893672.db2.gz CQNBDZZYCQKAAN-ZDUSSCGKSA-N 0 0 363.167 3.221 10 5 FGBERN CSc1cccc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000189001568 496974535 /nfs/dbraw/zinc/97/45/35/496974535.db2.gz ZADZUSWAYYEFCB-PXAZEXFGSA-N 0 0 350.440 3.084 10 5 FGBERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000249295100 497189630 /nfs/dbraw/zinc/18/96/30/497189630.db2.gz BDMKOFAJTBFTMQ-ZBINZKHDSA-N 0 0 366.801 3.195 10 5 FGBERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000245386657 497380886 /nfs/dbraw/zinc/38/08/86/497380886.db2.gz PNVKPYNTQHMVJP-LQAWEQHXSA-N 0 0 371.393 3.022 10 5 FGBERN CC[C@H](NS(=O)(=O)c1ccc(F)c(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000190755848 497594946 /nfs/dbraw/zinc/59/49/46/497594946.db2.gz BMAYYEUFBXDUOO-HNNXBMFYSA-N 0 0 368.386 3.172 10 5 FGBERN COc1ccc(CNc2ccc([N+](=O)[O-])cc2C(N)=O)c(C(F)(F)F)c1 ZINC000301164340 497979060 /nfs/dbraw/zinc/97/90/60/497979060.db2.gz IAZFGNQUAIRYTG-UHFFFAOYSA-N 0 0 369.299 3.333 10 5 FGBERN C[C@@H]1C[C@H]1[C@H](Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000301293039 498041965 /nfs/dbraw/zinc/04/19/65/498041965.db2.gz ODLAUZVWSZHFOD-JDSLSITLSA-N 0 0 361.423 3.051 10 5 FGBERN CSCc1cc(Nc2ncc([N+](=O)[O-])cc2C(N)=O)ccc1Cl ZINC000301293849 498043184 /nfs/dbraw/zinc/04/31/84/498043184.db2.gz QQKWRBOIQOHZRN-UHFFFAOYSA-N 0 0 352.803 3.349 10 5 FGBERN COc1cc(OC)cc(N2CC[C@H](N(C)c3ncc(C)cc3[N+](=O)[O-])C2)c1 ZINC000301489708 498132184 /nfs/dbraw/zinc/13/21/84/498132184.db2.gz LPONMGGIOLOHHX-AWEZNQCLSA-N 0 0 372.425 3.031 10 5 FGBERN CCOc1ccc([N+](=O)[O-])c(I)c1OC(F)F ZINC000575657547 505987947 /nfs/dbraw/zinc/98/79/47/505987947.db2.gz MFKSUAKJVFGWAD-UHFFFAOYSA-N 0 0 359.066 3.200 10 5 FGBERN CC(=O)c1cc(I)cc([N+](=O)[O-])c1Br ZINC000575693238 505991048 /nfs/dbraw/zinc/99/10/48/505991048.db2.gz OMMPOVJIGUYUGO-UHFFFAOYSA-N 0 0 369.940 3.165 10 5 FGBERN CC(=O)c1cc([N+](=O)[O-])c(Br)cc1I ZINC000575693432 505991141 /nfs/dbraw/zinc/99/11/41/505991141.db2.gz UVYBZHRMSULKRE-UHFFFAOYSA-N 0 0 369.940 3.165 10 5 FGBERN COc1cc(N2CCN(c3nc4ccccc4o3)CC2)c([N+](=O)[O-])cc1F ZINC000301613351 498187826 /nfs/dbraw/zinc/18/78/26/498187826.db2.gz HBFPTLGBGMOMOL-UHFFFAOYSA-N 0 0 372.356 3.210 10 5 FGBERN CSc1ccc(CNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)cc1 ZINC000301776251 498259024 /nfs/dbraw/zinc/25/90/24/498259024.db2.gz GPKVQHATVVQZER-UHFFFAOYSA-N 0 0 352.437 3.332 10 5 FGBERN Cc1ccc2c(CCNc3ccc([N+](=O)[O-])c(S(C)(=O)=O)c3)c[nH]c2c1 ZINC000301811324 498274898 /nfs/dbraw/zinc/27/48/98/498274898.db2.gz XMUOCVKYDISYAT-UHFFFAOYSA-N 0 0 373.434 3.443 10 5 FGBERN CS(=O)(=O)c1cccc(N2CC=C(c3cccs3)CC2)c1[N+](=O)[O-] ZINC000301857566 498297413 /nfs/dbraw/zinc/29/74/13/498297413.db2.gz CLFMHOMQBRYKHM-UHFFFAOYSA-N 0 0 364.448 3.354 10 5 FGBERN CS(=O)(=O)c1cccc(NCC2(c3ccccc3F)CC2)c1[N+](=O)[O-] ZINC000301891153 498313933 /nfs/dbraw/zinc/31/39/33/498313933.db2.gz OBVVLBJFMTVOSH-UHFFFAOYSA-N 0 0 364.398 3.281 10 5 FGBERN CCOc1cccc(N2CCCN(c3nc(C)cs3)CC2)c1[N+](=O)[O-] ZINC000302218538 498448121 /nfs/dbraw/zinc/44/81/21/498448121.db2.gz LAFYQSULYSAVCM-UHFFFAOYSA-N 0 0 362.455 3.475 10 5 FGBERN C[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C[C@H]1N1CCOCC1 ZINC000302275810 498462473 /nfs/dbraw/zinc/46/24/73/498462473.db2.gz IREOEIZIDGLCLK-QMTHXVAHSA-N 0 0 360.241 3.059 10 5 FGBERN O=C(Nc1cccc(CNc2cc(F)ccc2[N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000302787660 498574608 /nfs/dbraw/zinc/57/46/08/498574608.db2.gz BIHSYSACLCPYEB-KRWDZBQOSA-N 0 0 359.357 3.464 10 5 FGBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1CCN(C(=O)c2ccccn2)C1 ZINC000302804487 498580979 /nfs/dbraw/zinc/58/09/79/498580979.db2.gz FDWBWNJDMHPEKI-LBPRGKRZSA-N 0 0 360.801 3.278 10 5 FGBERN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@@H]1CCCC[C@@H]1CO ZINC000181789515 705809138 /nfs/dbraw/zinc/80/91/38/705809138.db2.gz XHZWCDISAVWQPP-BXKDBHETSA-N 0 0 361.320 3.286 10 5 FGBERN O=[N+]([O-])c1c(Sc2ccccc2)ncnc1-n1nnc2ccccc21 ZINC000040650186 220914926 /nfs/dbraw/zinc/91/49/26/220914926.db2.gz IRSPMWHQTWVSIH-UHFFFAOYSA-N 0 0 350.363 3.270 10 5 FGBERN O=[N+]([O-])c1c(N2CCc3ccccc3C2)ncnc1N1CCCCCC1 ZINC000040610045 132947273 /nfs/dbraw/zinc/94/72/73/132947273.db2.gz AAYQXIVUHFARAL-UHFFFAOYSA-N 0 0 353.426 3.328 10 5 FGBERN CC(C)(C)OC(=O)N1CC[C@@H](CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000095083890 221845811 /nfs/dbraw/zinc/84/58/11/221845811.db2.gz HRGKPJOQKAZJKQ-NSHDSACASA-N 0 0 361.402 3.140 10 5 FGBERN C[C@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000105700445 222373559 /nfs/dbraw/zinc/37/35/59/222373559.db2.gz WQNXEZQLZQKUMX-NSHDSACASA-N 0 0 354.815 3.429 10 5 FGBERN Cc1ccccc1[C@@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000048804929 493846717 /nfs/dbraw/zinc/84/67/17/493846717.db2.gz VTQKOVPDSQZYCX-LLVKDONJSA-N 0 0 361.785 3.373 10 5 FGBERN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCOc3ccccc32)cc1C ZINC000060497649 493938944 /nfs/dbraw/zinc/93/89/44/493938944.db2.gz CVCHODAVVOQFSJ-AWEZNQCLSA-N 0 0 362.407 3.014 10 5 FGBERN Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000010287175 494148153 /nfs/dbraw/zinc/14/81/53/494148153.db2.gz DAHYDNHXWQVMCL-JTQLQIEISA-N 0 0 361.276 3.226 10 5 FGBERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000088393500 494234788 /nfs/dbraw/zinc/23/47/88/494234788.db2.gz LDGYNBSRSHKRRM-GFCCVEGCSA-N 0 0 358.402 3.022 10 5 FGBERN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000088826625 494266079 /nfs/dbraw/zinc/26/60/79/494266079.db2.gz LIZKNTFOCOCOSA-GFCCVEGCSA-N 0 0 359.357 3.167 10 5 FGBERN CC[C@H](NC(=O)C[C@H](C)NC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000090466503 494470594 /nfs/dbraw/zinc/47/05/94/494470594.db2.gz UPCJZBZMRXKHNE-KSSFIOAISA-N 0 0 369.421 3.371 10 5 FGBERN CC[C@H](NC(=O)NCc1ccc(OC)c(O)c1)c1cccc([N+](=O)[O-])c1 ZINC000090529513 494479296 /nfs/dbraw/zinc/47/92/96/494479296.db2.gz ZLAITVVFTGZZFH-HNNXBMFYSA-N 0 0 359.382 3.260 10 5 FGBERN CC[C@H](NC(=O)N[C@H]1c2ccccc2C[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000090687882 494493439 /nfs/dbraw/zinc/49/34/39/494493439.db2.gz AWTSRYZAOWQSGU-KSZLIROESA-N 0 0 355.394 3.003 10 5 FGBERN CC[C@H](NC(=O)NC[C@@H](O)c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000090688240 494493519 /nfs/dbraw/zinc/49/35/19/494493519.db2.gz QNVZWMAQQGFLGB-DLBZAZTESA-N 0 0 361.373 3.218 10 5 FGBERN CCc1nn(C)cc1CNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092959408 494794166 /nfs/dbraw/zinc/79/41/66/494794166.db2.gz RFUJTORUMSZSSN-UHFFFAOYSA-N 0 0 352.398 3.268 10 5 FGBERN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000132325481 494857127 /nfs/dbraw/zinc/85/71/27/494857127.db2.gz ICMGGQHKTRZQAF-BLLLJJGKSA-N 0 0 372.343 3.381 10 5 FGBERN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1nnc(C(F)(F)F)s1 ZINC000117596834 494935354 /nfs/dbraw/zinc/93/53/54/494935354.db2.gz WLOWSVAUQZRUTG-UHFFFAOYSA-N 0 0 366.708 3.300 10 5 FGBERN Cc1nc(CN2CCCN(Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)no1 ZINC000127954570 495022265 /nfs/dbraw/zinc/02/22/65/495022265.db2.gz CWXFWYZGJYEFHD-UHFFFAOYSA-N 0 0 373.457 3.118 10 5 FGBERN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@@H]1Cn1ccnc1 ZINC000124722241 495333588 /nfs/dbraw/zinc/33/35/88/495333588.db2.gz MRFUHGDUUMGUHF-CYBMUJFWSA-N 0 0 368.315 3.115 10 5 FGBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC(c2ccnn2C)CC1 ZINC000120264059 495338628 /nfs/dbraw/zinc/33/86/28/495338628.db2.gz CULPGQDNQZHJJF-UHFFFAOYSA-N 0 0 357.414 3.357 10 5 FGBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000120264891 495339416 /nfs/dbraw/zinc/33/94/16/495339416.db2.gz MQWYEAFPKJCFQS-YJBOKZPZSA-N 0 0 371.368 3.200 10 5 FGBERN Cc1ccc([C@@H](CNc2nc(C)ccc2[N+](=O)[O-])N2CCOCC2)s1 ZINC000124846462 495353117 /nfs/dbraw/zinc/35/31/17/495353117.db2.gz DVGUAPKDKMDVRK-OAHLLOKOSA-N 0 0 362.455 3.154 10 5 FGBERN O=[N+]([O-])c1cccc(-c2noc(CN3CCCC[C@H]3c3cn[nH]c3)n2)c1 ZINC000114201656 495354131 /nfs/dbraw/zinc/35/41/31/495354131.db2.gz QIVSXLXXOOCUIU-HNNXBMFYSA-N 0 0 354.370 3.095 10 5 FGBERN Cc1cccc(O[C@H](C)CNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)c1 ZINC000125565760 495463818 /nfs/dbraw/zinc/46/38/18/495463818.db2.gz MCANVMKMQPXBCE-CYBMUJFWSA-N 0 0 364.423 3.186 10 5 FGBERN CCS[C@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000125899479 495516011 /nfs/dbraw/zinc/51/60/11/495516011.db2.gz CQBJIJOUWMKUST-OCCSQVGLSA-N 0 0 358.485 3.475 10 5 FGBERN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CCOc2ccccc21 ZINC000179347155 495552693 /nfs/dbraw/zinc/55/26/93/495552693.db2.gz SJMLETUYDUUKSP-KRWDZBQOSA-N 0 0 351.362 3.259 10 5 FGBERN CC(C)c1nc(C2(NC[C@H](O)c3cccc([N+](=O)[O-])c3)CCCC2)no1 ZINC000154379742 495599050 /nfs/dbraw/zinc/59/90/50/495599050.db2.gz WTRGIQCYJBKBBY-HNNXBMFYSA-N 0 0 360.414 3.194 10 5 FGBERN COc1cc(C(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)ccc1[N+](=O)[O-] ZINC000173592968 495603770 /nfs/dbraw/zinc/60/37/70/495603770.db2.gz WHYQIBOCWHGCKL-CYBMUJFWSA-N 0 0 360.370 3.087 10 5 FGBERN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCO[C@H]2CCCC[C@H]21 ZINC000150735541 495616591 /nfs/dbraw/zinc/61/65/91/495616591.db2.gz HKKQAUSPOQNKGM-KGLIPLIRSA-N 0 0 369.215 3.141 10 5 FGBERN Cc1nc(C[C@H]2CCCN(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)C2)no1 ZINC000170899178 495647253 /nfs/dbraw/zinc/64/72/53/495647253.db2.gz FDTZLRNJSYQOLE-TZMCWYRMSA-N 0 0 373.413 3.012 10 5 FGBERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000171196538 495764816 /nfs/dbraw/zinc/76/48/16/495764816.db2.gz PNVKPYNTQHMVJP-GOPGUHFVSA-N 0 0 371.393 3.022 10 5 FGBERN Cc1ccc([C@@H](C)OC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)cc1[N+](=O)[O-] ZINC000176947264 495851914 /nfs/dbraw/zinc/85/19/14/495851914.db2.gz MYLKNIVBYRYTCO-CJNGLKHVSA-N 0 0 360.410 3.156 10 5 FGBERN Cc1c(NC(=O)C(=O)N[C@@H]2CCCc3cc(F)ccc32)cccc1[N+](=O)[O-] ZINC000155354279 495930526 /nfs/dbraw/zinc/93/05/26/495930526.db2.gz RDGQWRHKFVNUBR-MRXNPFEDSA-N 0 0 371.368 3.175 10 5 FGBERN O=C(c1cc2ccccc2c2cccnc12)N1CCO[C@H](Cn2cccn2)C1 ZINC000171883568 496073575 /nfs/dbraw/zinc/07/35/75/496073575.db2.gz ZYRYFYTXFRHPOR-KRWDZBQOSA-N 0 0 372.428 3.126 10 5 FGBERN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000174885209 496148882 /nfs/dbraw/zinc/14/88/82/496148882.db2.gz QHYLSKAPXMFYIA-IEBWSBKVSA-N 0 0 354.406 3.252 10 5 FGBERN CC[C@@H](NC(=O)c1ccc(N2CCCC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000177800755 496201704 /nfs/dbraw/zinc/20/17/04/496201704.db2.gz GWYDXBYGQDKVPM-QGZVFWFLSA-N 0 0 354.410 3.471 10 5 FGBERN CCc1nc(C2(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CCCC2)no1 ZINC000175145751 496266173 /nfs/dbraw/zinc/26/61/73/496266173.db2.gz RFOFKNWPHYRQMS-UHFFFAOYSA-N 0 0 364.789 3.393 10 5 FGBERN Cc1nccn1C[C@@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000175148807 496267778 /nfs/dbraw/zinc/26/77/78/496267778.db2.gz MAOBKQDRGHSRGJ-ZDUSSCGKSA-N 0 0 363.805 3.450 10 5 FGBERN Cc1cc(C(=O)N2CCN(c3nc4ccccc4o3)CC2)cc([N+](=O)[O-])c1 ZINC000172387294 496278035 /nfs/dbraw/zinc/27/80/35/496278035.db2.gz ITBGSDYIUMRLTD-UHFFFAOYSA-N 0 0 366.377 3.007 10 5 FGBERN CC[C@H](NC(=O)NCc1ccc(C(=O)OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000175187400 496283499 /nfs/dbraw/zinc/28/34/99/496283499.db2.gz VWRZKWFPSYPLNJ-KRWDZBQOSA-N 0 0 371.393 3.332 10 5 FGBERN CCOc1ccccc1NC(=O)C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000178060431 496311115 /nfs/dbraw/zinc/31/11/15/496311115.db2.gz KRWRRZDXFIUGBJ-HNNXBMFYSA-N 0 0 371.393 3.200 10 5 FGBERN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)COCc1ccccc1 ZINC000175290882 496326130 /nfs/dbraw/zinc/32/61/30/496326130.db2.gz BWLZHXTYPNRJNS-AWEZNQCLSA-N 0 0 373.409 3.008 10 5 FGBERN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2ccnn2C)CC1 ZINC000162451701 496354454 /nfs/dbraw/zinc/35/44/54/496354454.db2.gz OSYJCUDVMWMSPZ-UHFFFAOYSA-N 0 0 374.466 3.460 10 5 FGBERN COc1ccc(OCCn2c3ccccc3nc2[C@H](C)O)c([N+](=O)[O-])c1 ZINC000181497124 496421301 /nfs/dbraw/zinc/42/13/01/496421301.db2.gz ODFINIJHBRFTDY-LBPRGKRZSA-N 0 0 357.366 3.085 10 5 FGBERN CC[C@@H](N[C@H](C)c1nnnn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000178678974 496538237 /nfs/dbraw/zinc/53/82/37/496538237.db2.gz OUNZXEVBEQBRPR-CXAGYDPISA-N 0 0 352.398 3.372 10 5 FGBERN CCn1cc(C2CCN(C(=O)c3cc(OC)c(C)c([N+](=O)[O-])c3)CC2)cn1 ZINC000187862142 496599097 /nfs/dbraw/zinc/59/90/97/496599097.db2.gz WYHFUYWTTNSEGX-UHFFFAOYSA-N 0 0 372.425 3.148 10 5 FGBERN C[C@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000178931832 496621012 /nfs/dbraw/zinc/62/10/12/496621012.db2.gz BPKAYOTZHYELAL-LBPRGKRZSA-N 0 0 368.842 3.471 10 5 FGBERN Cc1ccc2c(c1)[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H](C)C2 ZINC000182338371 496730260 /nfs/dbraw/zinc/73/02/60/496730260.db2.gz HEOGZDNMYMHYEC-KPZWWZAWSA-N 0 0 367.405 3.200 10 5 FGBERN Cc1csc([C@H]2CCCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)n1 ZINC000195331992 496892671 /nfs/dbraw/zinc/89/26/71/496892671.db2.gz ZFODFSGTZOPUEC-AWEZNQCLSA-N 0 0 374.466 3.486 10 5 FGBERN CCn1cc(C2CCN([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000195500216 496940079 /nfs/dbraw/zinc/94/00/79/496940079.db2.gz SQICNLLLENQZFB-CQSZACIVSA-N 0 0 371.441 3.018 10 5 FGBERN Cc1ccc(Cc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2N)cc1 ZINC000226299775 497081969 /nfs/dbraw/zinc/08/19/69/497081969.db2.gz MYZVSELMJWKAKR-UHFFFAOYSA-N 0 0 355.423 3.092 10 5 FGBERN Cc1nccn1C[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000271313929 497317330 /nfs/dbraw/zinc/31/73/30/497317330.db2.gz JFQKEUUEAUOJIG-ZDUSSCGKSA-N 0 0 352.341 3.370 10 5 FGBERN Cc1nccn1C[C@H]1CCCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000271313925 497317724 /nfs/dbraw/zinc/31/77/24/497317724.db2.gz JFQKEUUEAUOJIG-CYBMUJFWSA-N 0 0 352.341 3.370 10 5 FGBERN CC(C)c1ccc(C(=O)N[C@@H](C)c2nnc3n2CCCC3)cc1[N+](=O)[O-] ZINC000190167517 497383618 /nfs/dbraw/zinc/38/36/18/497383618.db2.gz UMFCIIVCGXLNDM-LBPRGKRZSA-N 0 0 357.414 3.137 10 5 FGBERN O=[N+]([O-])c1ccc(N2CCCC[C@@H]2c2nnc3n2CCCC3)c([N+](=O)[O-])c1 ZINC000299592669 497860707 /nfs/dbraw/zinc/86/07/07/497860707.db2.gz KPQPVGIHPWFTCN-CQSZACIVSA-N 0 0 372.385 3.162 10 5 FGBERN C[C@@H]1C[C@@H]1[C@@H](Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000301293040 498042647 /nfs/dbraw/zinc/04/26/47/498042647.db2.gz ODLAUZVWSZHFOD-WHCBVINPSA-N 0 0 361.423 3.051 10 5 FGBERN CCS[C@H]1CC[C@]1(O)CNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301484581 498130013 /nfs/dbraw/zinc/13/00/13/498130013.db2.gz GSVFERGXARLDAY-YJBOKZPZSA-N 0 0 374.466 3.419 10 5 FGBERN CCOc1cc([N+](=O)[O-])cc(OC(F)F)c1I ZINC000575657677 505988221 /nfs/dbraw/zinc/98/82/21/505988221.db2.gz NSBYVZOJTYYMKX-UHFFFAOYSA-N 0 0 359.066 3.200 10 5 FGBERN Cc1nc(N2CCCC[C@H]2CNC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000301755884 498252529 /nfs/dbraw/zinc/25/25/29/498252529.db2.gz DFNRROZGPGRWKY-ZDUSSCGKSA-N 0 0 350.419 3.182 10 5 FGBERN Cc1cccc(C)c1OCCNc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000301798980 498268685 /nfs/dbraw/zinc/26/86/85/498268685.db2.gz RHJMUCGRVDYNIO-UHFFFAOYSA-N 0 0 364.423 3.106 10 5 FGBERN CN(c1cc(CO)ccc1[N+](=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000302055002 498386345 /nfs/dbraw/zinc/38/63/45/498386345.db2.gz QGOGNHQSEYTHJA-SFHVURJKSA-N 0 0 355.438 3.188 10 5 FGBERN O=[N+]([O-])c1ccc(CO)cc1N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000302054982 498387288 /nfs/dbraw/zinc/38/72/88/498387288.db2.gz QFMHXLKDEJQPSG-PBHICJAKSA-N 0 0 350.321 3.307 10 5 FGBERN C[C@@H](COCc1ccccc1)Nc1c(Br)cncc1[N+](=O)[O-] ZINC000390670405 499555168 /nfs/dbraw/zinc/55/51/68/499555168.db2.gz YVFJKEPMJUXOKY-NSHDSACASA-N 0 0 366.215 3.191 10 5 FGBERN CC(C)(C)OC(=O)N[C@H]1CCCN(c2cnc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000095087098 534898206 /nfs/dbraw/zinc/89/82/06/534898206.db2.gz BSYZWAAJWZWTLC-LBPRGKRZSA-N 0 0 373.413 3.032 10 5 FGBERN Cc1cc(Nc2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2[N+](=O)[O-])no1 ZINC000004683819 571159944 /nfs/dbraw/zinc/15/99/44/571159944.db2.gz XGLSHFSGKDCAGN-CHWSQXEVSA-N 0 0 370.365 3.314 10 5 FGBERN Cc1ccc([C@H](C)OC(=O)CCCNC(=O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000084808689 700362932 /nfs/dbraw/zinc/36/29/32/700362932.db2.gz RHYRNBBPKCELBS-ZDUSSCGKSA-N 0 0 350.415 3.450 10 5 FGBERN C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(F)c(Cl)c1 ZINC000180721501 705754736 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