smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@](C)(C(=O)[O-])[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC1CC1 ZINC001594788162 981834083 /nfs/dbraw/zinc/83/40/83/981834083.db2.gz SUKGRZFDDBOBTO-MRXNPFEDSA-N 0 1 342.342 3.338 20 5 EGBDMN CC[C@@](C)(C(=O)[O-])[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC1CC1 ZINC001594788161 981834173 /nfs/dbraw/zinc/83/41/73/981834173.db2.gz SUKGRZFDDBOBTO-INIZCTEOSA-N 0 1 342.342 3.338 20 5 EGBDMN CC(C)[C@H]1[N@@H+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CC12CCC2 ZINC001591100108 991719193 /nfs/dbraw/zinc/71/91/93/991719193.db2.gz SDULIUKBOFBKHX-QGZVFWFLSA-N 0 1 348.399 3.069 20 5 EGBDMN C[N@@H+](CCc1ccc(F)cc1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598500349 992427339 /nfs/dbraw/zinc/42/73/39/992427339.db2.gz UKBUKNBUIVOOBJ-UHFFFAOYSA-N 0 1 332.331 3.107 20 5 EGBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001593718180 996239661 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EGBDMN Cc1n[nH]c(C(F)F)c1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000355615126 166262270 /nfs/dbraw/zinc/26/22/70/166262270.db2.gz JMQDQNRILIVOCA-UHFFFAOYSA-N 0 1 344.705 3.399 20 5 EGBDMN O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)c2cccc3ncccc32)c1 ZINC000355877454 166335837 /nfs/dbraw/zinc/33/58/37/166335837.db2.gz CLIBDYIVFRESPN-UHFFFAOYSA-N 0 1 347.327 3.083 20 5 EGBDMN O=C(NCC1(c2ccccc2Cl)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356726180 166493539 /nfs/dbraw/zinc/49/35/39/166493539.db2.gz KXLGARHWTVROIH-UHFFFAOYSA-N 0 1 346.770 3.415 20 5 EGBDMN C[C@@H](N[C@@H]1CC(=O)N(c2ccccc2F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000359394228 167144817 /nfs/dbraw/zinc/14/48/17/167144817.db2.gz KYZLYWGOLJZXMB-TZMCWYRMSA-N 0 1 343.358 3.190 20 5 EGBDMN Cc1ccnc(OC2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000360208851 167271470 /nfs/dbraw/zinc/27/14/70/167271470.db2.gz NLEZLBLYBQGIAE-UHFFFAOYSA-N 0 1 327.384 3.342 20 5 EGBDMN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc3cn[nH]c3cc2C)c1 ZINC000360452778 167333195 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EGBDMN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599586903 460280793 /nfs/dbraw/zinc/28/07/93/460280793.db2.gz KDTCZLBRMDVWEX-XJKSGUPXSA-N 0 1 334.416 3.395 20 5 EGBDMN COc1ccc(-c2ccc(CN3CCCOC[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000611272420 460324040 /nfs/dbraw/zinc/32/40/40/460324040.db2.gz JJNIRJKVJPWYFI-ZDUSSCGKSA-N 0 1 346.383 3.474 20 5 EGBDMN COc1ccc(CN2CCC[C@@H](c3ccnc(C)n3)C2)cc1[N+](=O)[O-] ZINC000603834580 460344585 /nfs/dbraw/zinc/34/45/85/460344585.db2.gz XBZWCTLMNPTPGK-OAHLLOKOSA-N 0 1 342.399 3.081 20 5 EGBDMN O=[N+]([O-])c1cc2c(cc1CNCc1cccc3cc[nH]c31)OCCO2 ZINC000615561098 460346506 /nfs/dbraw/zinc/34/65/06/460346506.db2.gz KKKCERVONNTGRY-UHFFFAOYSA-N 0 1 339.351 3.137 20 5 EGBDMN Cc1noc(C)c1[C@H](C)NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000611409148 460357771 /nfs/dbraw/zinc/35/77/71/460357771.db2.gz UJUDGGCIRWYWPZ-NSHDSACASA-N 0 1 346.387 3.187 20 5 EGBDMN CC[C@@H]1c2ccccc2CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611559010 460398387 /nfs/dbraw/zinc/39/83/87/460398387.db2.gz UBNYXKIBJZDMSI-QGZVFWFLSA-N 0 1 326.352 3.450 20 5 EGBDMN Cc1ccc(C[NH2+][C@@H](C(=O)[O-])c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000617345451 460821561 /nfs/dbraw/zinc/82/15/61/460821561.db2.gz SMYNVJILFQNNMV-OAHLLOKOSA-N 0 1 336.294 3.097 20 5 EGBDMN Cc1ncc([C@@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000601938162 460952252 /nfs/dbraw/zinc/95/22/52/460952252.db2.gz XPJRMUZWJUTCCV-NXEZZACHSA-N 0 1 334.401 3.038 20 5 EGBDMN CC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1C ZINC000134778031 517368121 /nfs/dbraw/zinc/36/81/21/517368121.db2.gz NJOUDLUGZKSYJO-UHFFFAOYSA-N 0 1 348.380 3.215 20 5 EGBDMN CC[C@@H](O)CCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000344479490 535811079 /nfs/dbraw/zinc/81/10/79/535811079.db2.gz KXIFQGQWBXZCNF-OAHLLOKOSA-N 0 1 335.429 3.359 20 5 EGBDMN Cc1cc([C@H](C)NCc2ccc(C(N)=O)cc2[N+](=O)[O-])c(C)s1 ZINC000182985119 547088608 /nfs/dbraw/zinc/08/86/08/547088608.db2.gz TWMWEFHVCNANIA-JTQLQIEISA-N 0 1 333.413 3.223 20 5 EGBDMN O=C(OCc1c(F)cccc1[N+](=O)[O-])c1cc(-c2ccco2)n[nH]1 ZINC000728989913 574791723 /nfs/dbraw/zinc/79/17/23/574791723.db2.gz GAKCGVGSABWGHP-UHFFFAOYSA-N 0 1 331.259 3.074 20 5 EGBDMN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(OC(F)F)cc1 ZINC000734731049 575544044 /nfs/dbraw/zinc/54/40/44/575544044.db2.gz WKIUJSCJDNPBQJ-MRVPVSSYSA-N 0 1 326.255 3.442 20 5 EGBDMN C[C@@H]1CCC[C@@H](C)N(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000742156027 576752750 /nfs/dbraw/zinc/75/27/50/576752750.db2.gz VPKICQNWBRXCMA-ZIAGYGMSSA-N 0 1 329.404 3.321 20 5 EGBDMN Cc1ccc([C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)o1 ZINC000743336093 576805914 /nfs/dbraw/zinc/80/59/14/576805914.db2.gz CBMXBDSLJIMPLO-JTQLQIEISA-N 0 1 341.327 3.024 20 5 EGBDMN CC(C)CNC(=O)C1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000743839266 576816469 /nfs/dbraw/zinc/81/64/69/576816469.db2.gz AONQMDPPQKUGBI-AWEZNQCLSA-N 0 1 333.432 3.140 20 5 EGBDMN O=C(CN1CCC[C@H]2CCC[C@@H]21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000744409387 576827602 /nfs/dbraw/zinc/82/76/02/576827602.db2.gz PNKIPEHKBOJDEE-RISCZKNCSA-N 0 1 337.807 3.451 20 5 EGBDMN O=[N+]([O-])c1ccccc1CN(C[C@@H](O)c1cccc(F)c1)C1CC1 ZINC000135240680 1293790542 /nfs/dbraw/zinc/79/05/42/1293790542.db2.gz SIIHBRWKEFHDLH-GOSISDBHSA-N 0 1 330.359 3.432 20 5 EGBDMN CN(CCC(=O)OC(C)(C)C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000154316586 1294049954 /nfs/dbraw/zinc/04/99/54/1294049954.db2.gz DZTNIDNPHRTSGP-UHFFFAOYSA-N 0 1 328.796 3.412 20 5 EGBDMN O=[N+]([O-])c1cn(CN(C2CC2)C2CCCC2)nc1-c1ccncc1 ZINC000172894934 1294448341 /nfs/dbraw/zinc/44/83/41/1294448341.db2.gz QUFUHVPRFPFHHA-UHFFFAOYSA-N 0 1 327.388 3.218 20 5 EGBDMN C[C@@H]1CCc2[nH]n(-c3cc([N+](=O)[O-])ccc3Br)c(=O)c21 ZINC000871960196 1296632458 /nfs/dbraw/zinc/63/24/58/1296632458.db2.gz WBQHIDQAECEGOW-JMCQJSRRSA-N 0 1 338.161 3.106 20 5 EGBDMN C[C@@H]1OCC[C@]1(C)NCc1ccc([N+](=O)[O-])cc1Br ZINC000300423673 1296781162 /nfs/dbraw/zinc/78/11/62/1296781162.db2.gz VAZNSVYRUFTDDK-ZANVPECISA-N 0 1 329.194 3.014 20 5 EGBDMN CCc1nn(C)c(CC)c1CNCc1c(C)ccc([N+](=O)[O-])c1C ZINC000873098631 1297273220 /nfs/dbraw/zinc/27/32/20/1297273220.db2.gz SUSGXCQLDDVOKG-UHFFFAOYSA-N 0 1 330.432 3.360 20 5 EGBDMN O=[N+]([O-])c1ccc(Cl)c(CNCCn2ccc(C(F)(F)F)n2)c1 ZINC000873157822 1297308665 /nfs/dbraw/zinc/30/86/65/1297308665.db2.gz JVVBDYPWSRJBJU-UHFFFAOYSA-N 0 1 348.712 3.253 20 5 EGBDMN CCc1ccc([C@@H](N[C@@H]2CCN(C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000753655474 1300001774 /nfs/dbraw/zinc/00/17/74/1300001774.db2.gz TZQOFUHYUHBQOS-KDOFPFPSSA-N 0 1 329.400 3.133 20 5 EGBDMN Cc1cnc([C@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000754409285 1300140618 /nfs/dbraw/zinc/14/06/18/1300140618.db2.gz IXMKAZCQQOAFCG-LSDHHAIUSA-N 0 1 333.413 3.134 20 5 EGBDMN O=[N+]([O-])c1c(F)nccc1NC[C@@H](c1ccco1)N1CCCCC1 ZINC000881751252 1301711433 /nfs/dbraw/zinc/71/14/33/1301711433.db2.gz FCTZPYHGYAZXDV-ZDUSSCGKSA-N 0 1 334.351 3.361 20 5 EGBDMN C[C@@H]1CCC(=CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)C1 ZINC000762804118 1301753127 /nfs/dbraw/zinc/75/31/27/1301753127.db2.gz FVUYSLALICHTDD-MXBGMFSPSA-N 0 1 327.344 3.065 20 5 EGBDMN CC1(c2cccc(CNCc3cccc([N+](=O)[O-])c3)c2)OCCO1 ZINC000883127360 1302261821 /nfs/dbraw/zinc/26/18/21/1302261821.db2.gz SOFAGVQFNQPDQU-UHFFFAOYSA-N 0 1 328.368 3.104 20 5 EGBDMN Cc1c([C@H](C)NC2CN(C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000766527912 1302469095 /nfs/dbraw/zinc/46/90/95/1302469095.db2.gz ZXGVKWUTLAARIO-LBPRGKRZSA-N 0 1 335.404 3.173 20 5 EGBDMN CC(C)CC[C@@H]1CCCN1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000767760478 1302757624 /nfs/dbraw/zinc/75/76/24/1302757624.db2.gz XMOVSBGLWOFYPD-ZDUSSCGKSA-N 0 1 333.388 3.361 20 5 EGBDMN CSCc1cccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768879448 1303005230 /nfs/dbraw/zinc/00/52/30/1303005230.db2.gz CGMHVHDCTXENDD-UHFFFAOYSA-N 0 1 344.439 3.320 20 5 EGBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000769245032 1303080830 /nfs/dbraw/zinc/08/08/30/1303080830.db2.gz PWCNECTXVCNTLV-RTBURBONSA-N 0 1 342.395 3.389 20 5 EGBDMN CCN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000769300021 1303088641 /nfs/dbraw/zinc/08/86/41/1303088641.db2.gz UIHOYDMPTRXQJD-MRXNPFEDSA-N 0 1 349.431 3.426 20 5 EGBDMN CC(C)[C@H]1CN(C)CCN1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000779607208 1304586281 /nfs/dbraw/zinc/58/62/81/1304586281.db2.gz JGCRLHHLKYIBNW-CQSZACIVSA-N 0 1 340.811 3.052 20 5 EGBDMN COc1c(O)ccc(CN(C)[C@H]2CCc3ccccc32)c1[N+](=O)[O-] ZINC000891558301 1305088869 /nfs/dbraw/zinc/08/88/69/1305088869.db2.gz FGDXFCJENXHQAP-HNNXBMFYSA-N 0 1 328.368 3.428 20 5 EGBDMN O=[N+]([O-])c1ccc(-c2ncn(CN3CCCC4(CCCC4)C3)n2)cc1 ZINC000783543484 1305104780 /nfs/dbraw/zinc/10/47/80/1305104780.db2.gz QLZLVIBEHLFPLU-UHFFFAOYSA-N 0 1 341.415 3.467 20 5 EGBDMN O=[N+]([O-])c1ccc(CNC[C@@H](O)c2c(F)cccc2F)cc1Cl ZINC000783636075 1305121399 /nfs/dbraw/zinc/12/13/99/1305121399.db2.gz LQHQBSHHJALRCI-CQSZACIVSA-N 0 1 342.729 3.350 20 5 EGBDMN CC[C@@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H](O)C(F)(F)F ZINC000783653286 1305122846 /nfs/dbraw/zinc/12/28/46/1305122846.db2.gz ZVGMXLYKLWDBCZ-MWLCHTKSSA-N 0 1 326.702 3.040 20 5 EGBDMN CC[C@@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)[C@H](O)C(F)(F)F ZINC000783653285 1305123403 /nfs/dbraw/zinc/12/34/03/1305123403.db2.gz ZVGMXLYKLWDBCZ-KOLCDFICSA-N 0 1 326.702 3.040 20 5 EGBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCCN(c2ncccc2F)CC1 ZINC000784400877 1305241538 /nfs/dbraw/zinc/24/15/38/1305241538.db2.gz SNRZMEARHQEXRY-AWEZNQCLSA-N 0 1 344.390 3.402 20 5 EGBDMN CC(=O)c1cc([N+](=O)[O-])ccc1NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000786800219 1305631868 /nfs/dbraw/zinc/63/18/68/1305631868.db2.gz KVHCUKQTFAFURG-ZIAGYGMSSA-N 0 1 349.431 3.099 20 5 EGBDMN CO[C@@H](CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000788597283 1305979339 /nfs/dbraw/zinc/97/93/39/1305979339.db2.gz WFBLPSPYXBHNLH-STQMWFEESA-N 0 1 332.322 3.484 20 5 EGBDMN COc1c(O)ccc(CNCc2cccc(CSC)c2)c1[N+](=O)[O-] ZINC000893889227 1306114759 /nfs/dbraw/zinc/11/47/59/1306114759.db2.gz YCPZRXPVVLFUGJ-UHFFFAOYSA-N 0 1 348.424 3.462 20 5 EGBDMN O=c1oc2cccc([N+](=O)[O-])c2n1CN(C1CC1)C1CCCCC1 ZINC000794618970 1309556354 /nfs/dbraw/zinc/55/63/54/1309556354.db2.gz DEVUUBXDSKEZPJ-UHFFFAOYSA-N 0 1 331.372 3.257 20 5 EGBDMN CC(C)c1n[nH]c(COC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000795529034 1309773624 /nfs/dbraw/zinc/77/36/24/1309773624.db2.gz CTMAIRNVDXYXKZ-UHFFFAOYSA-N 0 1 332.360 3.317 20 5 EGBDMN CC(C)c1nc(COC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)n[nH]1 ZINC000795529034 1309773632 /nfs/dbraw/zinc/77/36/32/1309773632.db2.gz CTMAIRNVDXYXKZ-UHFFFAOYSA-N 0 1 332.360 3.317 20 5 EGBDMN Cc1cc(C2CCN(C(=O)c3c(C)c(C)ccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000897301007 1310279766 /nfs/dbraw/zinc/27/97/66/1310279766.db2.gz XWZYBAVGYPHADS-UHFFFAOYSA-N 0 1 342.399 3.263 20 5 EGBDMN C[C@H]1CCCN1CCNc1ccc([N+](=O)[O-])cc1Br ZINC000798393759 1310353495 /nfs/dbraw/zinc/35/34/95/1310353495.db2.gz YTTOQROUCQHVAD-JTQLQIEISA-N 0 1 328.210 3.254 20 5 EGBDMN O=[N+]([O-])c1ccc(CN2CCN(CCc3cccs3)CC2)cc1F ZINC000801512201 1310951658 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0 1 327.384 3.266 20 5 EGBDMN CCN1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@H]1C ZINC000809966339 1317926109 /nfs/dbraw/zinc/92/61/09/1317926109.db2.gz YDAMOUFILGAGAC-SNVBAGLBSA-N 0 1 332.231 3.428 20 5 EGBDMN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2NCC[N+](=O)[O-] ZINC000905231119 1317938816 /nfs/dbraw/zinc/93/88/16/1317938816.db2.gz OZDYFZNCKFKHSL-HNNXBMFYSA-N 0 1 335.404 3.277 20 5 EGBDMN Cc1ncc2c(n1)CCC[C@H]2N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815581444 1319021256 /nfs/dbraw/zinc/02/12/56/1319021256.db2.gz GLAATWXILBANKN-MEBBXXQBSA-N 0 1 327.388 3.004 20 5 EGBDMN O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@@H](CC(F)(F)F)C2)cc1 ZINC000817282037 1319311651 /nfs/dbraw/zinc/31/16/51/1319311651.db2.gz WAAXOUDEGNKLDX-SMDDNHRTSA-N 0 1 332.322 3.293 20 5 EGBDMN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1nn(CC)nc1C ZINC000818345945 1319533367 /nfs/dbraw/zinc/53/33/67/1319533367.db2.gz YOWLYQSFOLQHLK-ZDUSSCGKSA-N 0 1 349.460 3.175 20 5 EGBDMN O=[N+]([O-])c1ccc(F)cc1CN1C[C@@H]2CN(c3ccccc3)C[C@@H]2C1 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LZWXXCCCWDDJBD-QGZVFWFLSA-N 0 1 349.394 3.300 20 5 EGBDMN CO[C@H]1CC[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC1(C)C ZINC000848488899 1321964687 /nfs/dbraw/zinc/96/46/87/1321964687.db2.gz NQXFPPKXAXSJDB-KRWDZBQOSA-N 0 1 344.415 3.163 20 5 EGBDMN CO[C@H]1CCN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC1(C)C ZINC000848488899 1321964692 /nfs/dbraw/zinc/96/46/92/1321964692.db2.gz NQXFPPKXAXSJDB-KRWDZBQOSA-N 0 1 344.415 3.163 20 5 EGBDMN C[C@H](CNCc1cc(Cl)ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000848565298 1321976904 /nfs/dbraw/zinc/97/69/04/1321976904.db2.gz IJZSCBKKJPPIDR-SNVBAGLBSA-N 0 1 328.796 3.316 20 5 EGBDMN Cc1ccc(-c2cc(C(=O)OCCc3ccc([N+](=O)[O-])cc3)[nH]n2)o1 ZINC000919328428 1322057202 /nfs/dbraw/zinc/05/72/02/1322057202.db2.gz OYZFEDADRKQJAK-UHFFFAOYSA-N 0 1 341.323 3.286 20 5 EGBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@](O)(c3ccccc3)C2)c(F)c1 ZINC000859586351 1329027101 /nfs/dbraw/zinc/02/71/01/1329027101.db2.gz NGMFEUMDVRVAFI-SFHVURJKSA-N 0 1 330.359 3.218 20 5 EGBDMN 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O=[N+]([O-])c1cc2nc(O[C@H]3CCC[C@@]34CC[NH2+]C4)[n-]c2cc1Cl ZINC001218097967 1373560161 /nfs/dbraw/zinc/56/01/61/1373560161.db2.gz WKGQJKOWMPUNHB-ZFWWWQNUSA-N 0 1 336.779 3.036 20 5 EGBDMN N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)Nc1ncccn1 ZINC001218495588 1373626110 /nfs/dbraw/zinc/62/61/10/1373626110.db2.gz PINQMOQFPXREEW-IBGZPJMESA-N 0 1 342.402 3.292 20 5 EGBDMN O=[N+]([O-])c1cccc(O[C@H]2CC[C@H](N3CCOCC3)CC2)c1Cl ZINC001225789924 1375156155 /nfs/dbraw/zinc/15/61/55/1375156155.db2.gz XNIGVKKGIBFYJR-JOCQHMNTSA-N 0 1 340.807 3.270 20 5 EGBDMN O=[N+]([O-])c1cc(Cl)cnc1O[C@@H]1CCN(Cc2ccccc2)C1 ZINC001226130271 1375208224 /nfs/dbraw/zinc/20/82/24/1375208224.db2.gz KGSWGWRCDKJOIS-CQSZACIVSA-N 0 1 333.775 3.297 20 5 EGBDMN O=c1[nH]c(C2CC2)nc(O[C@H]2CCc3c2nccc3Cl)c1[N+](=O)[O-] ZINC001228603044 1375612877 /nfs/dbraw/zinc/61/28/77/1375612877.db2.gz IHQMYZIMQAQUKI-JTQLQIEISA-N 0 1 348.746 3.083 20 5 EGBDMN Cc1ccc2c(c1)CC[C@H]2Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-] ZINC001228607002 1375615652 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EGBDMN CC(C)(C)CC(C)(C)C(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001151938610 1379819278 /nfs/dbraw/zinc/81/92/78/1379819278.db2.gz OOWVYMWOIRVPFR-UHFFFAOYSA-N 0 1 335.448 3.263 20 5 EGBDMN O=C(Nc1cc2cccnc2c2ncccc12)c1n[nH]c2cccnc21 ZINC001153153355 1380027795 /nfs/dbraw/zinc/02/77/95/1380027795.db2.gz KSLQFWMNQKIPAR-UHFFFAOYSA-N 0 1 340.346 3.307 20 5 EGBDMN CN1CCN(c2ncnc3cc([N+](=O)[O-])ccc32)[C@@H](c2ccccc2)C1 ZINC001163668923 1383100112 /nfs/dbraw/zinc/10/01/12/1383100112.db2.gz GBFJSOJZTGGDPJ-GOSISDBHSA-N 0 1 349.394 3.031 20 5 EGBDMN COc1ccc(C[C@H](C)N2CCC[C@H]2c2cnccn2)c([N+](=O)[O-])c1 ZINC001170348038 1384297452 /nfs/dbraw/zinc/29/74/52/1384297452.db2.gz VELSFQVLOHNWKY-GUYCJALGSA-N 0 1 342.399 3.162 20 5 EGBDMN CCOC(=O)[C@@H]1CCCCN1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914265 1384876910 /nfs/dbraw/zinc/87/69/10/1384876910.db2.gz GBVPCYSBQIQZET-WMZOPIPTSA-N 0 1 346.427 3.260 20 5 EGBDMN O=[N+]([O-])c1cc(F)c(N2CCC(N3CC(C(F)F)C3)CC2)c(F)c1 ZINC001173016129 1384897653 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340.445 3.328 20 5 EGBDMN Cc1ccc([C@@H](C)NC(=O)c2ccc3cncn3c2C)cc1[N+](=O)[O-] ZINC001320264279 1386564925 /nfs/dbraw/zinc/56/49/25/1386564925.db2.gz WHOGQUBCUQXQFW-GFCCVEGCSA-N 0 1 338.367 3.350 20 5 EGBDMN CCOc1ccc2c(c1)CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC001320660913 1386684096 /nfs/dbraw/zinc/68/40/96/1386684096.db2.gz RMUZPBZSNLRJHT-LJQANCHMSA-N 0 1 342.395 3.085 20 5 EGBDMN CO[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC001332847623 1390200061 /nfs/dbraw/zinc/20/00/61/1390200061.db2.gz GGCJMGQHRUKEJF-CYBMUJFWSA-N 0 1 343.221 3.358 20 5 EGBDMN COC[C@H](NCc1c(Br)cccc1[N+](=O)[O-])C(C)C ZINC001334766710 1390584562 /nfs/dbraw/zinc/58/45/62/1390584562.db2.gz JVVYBXSTHPEZLL-LBPRGKRZSA-N 0 1 331.210 3.118 20 5 EGBDMN CN(C(=O)CCC1CC1)C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001752297368 1440167105 /nfs/dbraw/zinc/16/71/05/1440167105.db2.gz FVIPUFLYYYMFHP-UHFFFAOYSA-N 0 1 345.443 3.208 20 5 EGBDMN CCCN(C(=O)C1CC1)C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001752432052 1440178624 /nfs/dbraw/zinc/17/86/24/1440178624.db2.gz RSRXCJQNTPLDCZ-UHFFFAOYSA-N 0 1 345.443 3.208 20 5 EGBDMN C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC001603430498 973179609 /nfs/dbraw/zinc/17/96/09/973179609.db2.gz WOSRXGBQPGLCSV-CABZTGNLSA-N 0 1 346.305 3.156 20 5 EGBDMN C[C@H](CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000917068412 982678567 /nfs/dbraw/zinc/67/85/67/982678567.db2.gz WQEORSIBNUSWRM-JFDUVMPXSA-N 0 1 347.415 3.225 20 5 EGBDMN C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594622395 986666486 /nfs/dbraw/zinc/66/64/86/986666486.db2.gz FAUVSRWILPAQJB-GFCCVEGCSA-N 0 1 326.352 3.240 20 5 EGBDMN C[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594622395 986666489 /nfs/dbraw/zinc/66/64/89/986666489.db2.gz FAUVSRWILPAQJB-GFCCVEGCSA-N 0 1 326.352 3.240 20 5 EGBDMN C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ncc(C(=O)[O-])s1 ZINC001593234289 994399689 /nfs/dbraw/zinc/39/96/89/994399689.db2.gz 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Cc1c(NS(=O)(=O)c2c[nH]c(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC001339437254 1390028897 /nfs/dbraw/zinc/02/88/97/1390028897.db2.gz FIWBIVJUGOYROJ-UHFFFAOYSA-N 0 1 349.290 3.051 20 5 EGBDMN CC/C(C)=C\C(=O)NC1(C)CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001754626240 1440646315 /nfs/dbraw/zinc/64/63/15/1440646315.db2.gz UVYBIQMXCASOFZ-SQFISAMPSA-N 0 1 345.443 3.422 20 5 EGBDMN C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC001603430499 973178541 /nfs/dbraw/zinc/17/85/41/973178541.db2.gz WOSRXGBQPGLCSV-JOYOIKCWSA-N 0 1 346.305 3.156 20 5 EGBDMN C[C@@H](CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000917068435 982678166 /nfs/dbraw/zinc/67/81/66/982678166.db2.gz WQEORSIBNUSWRM-RNUUNTDPSA-N 0 1 347.415 3.225 20 5 EGBDMN CC[C@@H](C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001594968477 982734336 /nfs/dbraw/zinc/73/43/36/982734336.db2.gz PBLODUYEZBLMIU-SECBINFHSA-N 0 1 329.784 3.089 20 5 EGBDMN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001594207495 998800109 /nfs/dbraw/zinc/80/01/09/998800109.db2.gz DQVSEQFLOGGGRH-PEGIJTEDSA-N 0 1 326.780 3.322 20 5 EGBDMN C[C@@H]1CC[N@@H+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CC12CCC2 ZINC001594424489 999588311 /nfs/dbraw/zinc/58/83/11/999588311.db2.gz UFQKGSKMOSBGTC-CYBMUJFWSA-N 0 1 348.399 3.070 20 5 EGBDMN CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@H]1CCC[C@H]1O ZINC000252486713 201183706 /nfs/dbraw/zinc/18/37/06/201183706.db2.gz MKKNKHPPZJYPAK-CZUORRHYSA-N 0 1 347.440 3.311 20 5 EGBDMN CCS[C@H]1CCCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000112069274 204382598 /nfs/dbraw/zinc/38/25/98/204382598.db2.gz IGHJKYPWEMGOJQ-LBPRGKRZSA-N 0 1 348.428 3.219 20 5 EGBDMN COCC1CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000112354434 204393824 /nfs/dbraw/zinc/39/38/24/204393824.db2.gz YRGLAJKEAQKCAF-GFCCVEGCSA-N 0 1 346.387 3.064 20 5 EGBDMN Cc1ccc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c(C)n1 ZINC000128754411 205160475 /nfs/dbraw/zinc/16/04/75/205160475.db2.gz DOYLNNOBUZDFIQ-UHFFFAOYSA-N 0 1 335.385 3.024 20 5 EGBDMN Cc1[nH]nc(C(=O)N(C2CC2)[C@H]2CCCc3ccccc32)c1[N+](=O)[O-] ZINC000264247133 246237141 /nfs/dbraw/zinc/23/71/41/246237141.db2.gz ZSIDFAHYNDWYON-HNNXBMFYSA-N 0 1 340.383 3.309 20 5 EGBDMN O=[N+]([O-])c1cnn(CCN2CCCC[C@H]2c2cc3ccccc3[nH]2)c1 ZINC000157962899 206165553 /nfs/dbraw/zinc/16/55/53/206165553.db2.gz ANWWXLVLRGNDAX-SFHVURJKSA-N 0 1 339.399 3.500 20 5 EGBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H]1c1ccccc1Cl ZINC000159764462 206262175 /nfs/dbraw/zinc/26/21/75/206262175.db2.gz KHLOHPVWWMZZBM-INIZCTEOSA-N 0 1 347.802 3.247 20 5 EGBDMN Cc1ccc(NC2CCN(Cc3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC000377606239 169046971 /nfs/dbraw/zinc/04/69/71/169046971.db2.gz ZAQDTCUTKSEYKO-UHFFFAOYSA-N 0 1 326.400 3.375 20 5 EGBDMN CCOc1ccc(C(=O)Nc2ccc3nc[nH]c3c2)cc1[N+](=O)[O-] ZINC000344465307 141158488 /nfs/dbraw/zinc/15/84/88/141158488.db2.gz NSPGBMYRCUQUPK-UHFFFAOYSA-N 0 1 326.312 3.122 20 5 EGBDMN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H](O)C(F)F)o2)c(Cl)c1 ZINC000344774580 144223153 /nfs/dbraw/zinc/22/31/53/144223153.db2.gz NDMCIZBYNPZTMA-GFCCVEGCSA-N 0 1 346.717 3.224 20 5 EGBDMN O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@](O)(C4CC4)C3)cs2)c1 ZINC000373324743 144502036 /nfs/dbraw/zinc/50/20/36/144502036.db2.gz QOMVIHMHCDGANM-QGZVFWFLSA-N 0 1 345.424 3.065 20 5 EGBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(Cl)cc1O ZINC000317363345 154158033 /nfs/dbraw/zinc/15/80/33/154158033.db2.gz VATYBUAPYJBCBJ-UHFFFAOYSA-N 0 1 342.760 3.063 20 5 EGBDMN CCN(CC)c1ncc(CNCc2cccc([N+](=O)[O-])c2C)s1 ZINC000336872223 154224032 /nfs/dbraw/zinc/22/40/32/154224032.db2.gz LPTJGYZUMSFBJV-UHFFFAOYSA-N 0 1 334.445 3.496 20 5 EGBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@@H](c3c(F)cccc3F)C2)c1 ZINC000248982805 163049752 /nfs/dbraw/zinc/04/97/52/163049752.db2.gz JHDNTFQEEQOZLY-DYVFJYSZSA-N 0 1 348.349 3.396 20 5 EGBDMN C[C@]1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000355046069 166092625 /nfs/dbraw/zinc/09/26/25/166092625.db2.gz JKZQNNQIGUBBFL-FUHWJXTLSA-N 0 1 326.352 3.224 20 5 EGBDMN CC(C)N(Cc1ccccc1F)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000355967135 166362422 /nfs/dbraw/zinc/36/24/22/166362422.db2.gz GCJAVYGOQDTYLI-UHFFFAOYSA-N 0 1 332.331 3.490 20 5 EGBDMN O=C(Nc1ccc2[nH]nnc2c1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000177852099 265282910 /nfs/dbraw/zinc/28/29/10/265282910.db2.gz ABUBHTDFPKHJHI-UHFFFAOYSA-N 0 1 339.336 3.333 20 5 EGBDMN CCCNc1ccc(CNCc2cc(OC)c(O)cc2[N+](=O)[O-])cc1 ZINC000193150161 266014840 /nfs/dbraw/zinc/01/48/40/266014840.db2.gz QDMSXGYZPWIJFQ-UHFFFAOYSA-N 0 1 345.399 3.421 20 5 EGBDMN C[C@@H]1c2ccsc2CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272961180 266949381 /nfs/dbraw/zinc/94/93/81/266949381.db2.gz SFUFVHGSPWQOSN-OLZOCXBDSA-N 0 1 348.424 3.015 20 5 EGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000275527899 267375271 /nfs/dbraw/zinc/37/52/71/267375271.db2.gz LSSVCTHLJMWIIM-OAHLLOKOSA-N 0 1 348.428 3.389 20 5 EGBDMN O=C(N[C@@H]1CCc2ccc(F)cc21)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000106797380 275169997 /nfs/dbraw/zinc/16/99/97/275169997.db2.gz UVSJJKXTTXLPAB-CQSZACIVSA-N 0 1 340.314 3.028 20 5 EGBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nnc(C(C)C)s1 ZINC000279700971 275351279 /nfs/dbraw/zinc/35/12/79/275351279.db2.gz JJMWQYVEIZXKSL-UHFFFAOYSA-N 0 1 336.373 3.221 20 5 EGBDMN C[C@H](O)C[C@H]1CCCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000279718198 275352775 /nfs/dbraw/zinc/35/27/75/275352775.db2.gz IRMMYQHRHZCRSP-SUMWQHHRSA-N 0 1 345.399 3.375 20 5 EGBDMN CCS[C@@H]1CCC[C@@H]1NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000284823331 275828975 /nfs/dbraw/zinc/82/89/75/275828975.db2.gz AGOSDIKTBOBSCB-UONOGXRCSA-N 0 1 348.428 3.409 20 5 EGBDMN CC(C)c1[nH]nc(C(=O)N2C[C@H](c3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000269327187 276041399 /nfs/dbraw/zinc/04/13/99/276041399.db2.gz DDICLZJOYORDHY-TZMCWYRMSA-N 0 1 342.399 3.460 20 5 EGBDMN CC[C@H](C)c1nc([C@@H](C)Nc2ncnc3sc([N+](=O)[O-])cc32)n[nH]1 ZINC000287598982 276137957 /nfs/dbraw/zinc/13/79/57/276137957.db2.gz FMCGYPFXAOKNTK-JGVFFNPUSA-N 0 1 347.404 3.404 20 5 EGBDMN CCO[C@@H]1C[C@H](N(C)Cc2cc([N+](=O)[O-])ccc2OC)C12CCC2 ZINC000357785090 276350232 /nfs/dbraw/zinc/35/02/32/276350232.db2.gz HUKVQRGEPIHWDD-DLBZAZTESA-N 0 1 334.416 3.383 20 5 EGBDMN C[C@H](N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178640656 279498833 /nfs/dbraw/zinc/49/88/33/279498833.db2.gz FMLCYNAGUJYOGS-STQMWFEESA-N 0 1 348.424 3.410 20 5 EGBDMN C[C@H](NCC(=O)N(C)[C@@H]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000180417199 289941446 /nfs/dbraw/zinc/94/14/46/289941446.db2.gz TWCOJLAQBNPIDA-JKIFEVAISA-N 0 1 333.432 3.283 20 5 EGBDMN Cc1cc(C)c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)n1 ZINC000414452470 309081016 /nfs/dbraw/zinc/08/10/16/309081016.db2.gz ABXALPBJHYQMBE-UHFFFAOYSA-N 0 1 335.385 3.024 20 5 EGBDMN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2c(C)ccnc2C)c1C ZINC000414451507 309081020 /nfs/dbraw/zinc/08/10/20/309081020.db2.gz JZNCXENQLWSOJZ-UHFFFAOYSA-N 0 1 335.385 3.024 20 5 EGBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCCO[C@H](CF)C2)o1 ZINC000414478307 309083120 /nfs/dbraw/zinc/08/31/20/309083120.db2.gz OOULFBRMUTZCJO-CQSZACIVSA-N 0 1 334.347 3.415 20 5 EGBDMN CC1(C)CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)[C@H]1C1CC1 ZINC000295682377 308350071 /nfs/dbraw/zinc/35/00/71/308350071.db2.gz VPUWCSPFIUKFHX-INIZCTEOSA-N 0 1 340.383 3.246 20 5 EGBDMN C[C@H](NC(=O)c1sccc1CN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000295790416 308360127 /nfs/dbraw/zinc/36/01/27/308360127.db2.gz YXUPMFYXXULEOU-NSHDSACASA-N 0 1 333.413 3.209 20 5 EGBDMN CC(C)C[C@@H](N)c1noc(-c2ccc([N+](=O)[O-])c(OC(C)C)c2)n1 ZINC000414629753 309092594 /nfs/dbraw/zinc/09/25/94/309092594.db2.gz UPCUBUYSCVQKOL-GFCCVEGCSA-N 0 1 334.376 3.478 20 5 EGBDMN COc1cc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc2c1OCO2 ZINC000296044754 308387966 /nfs/dbraw/zinc/38/79/66/308387966.db2.gz OEXPSHFDEVXUNU-NSHDSACASA-N 0 1 330.340 3.183 20 5 EGBDMN C[C@H](NCC(=O)N1CCC[C@@H]2CCCC[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000299733963 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337.339 3.045 20 5 EGBDMN COc1ccccc1C1(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCC1 ZINC001319938621 1386404194 /nfs/dbraw/zinc/40/41/94/1386404194.db2.gz OFAUDOCHWHEYBT-UHFFFAOYSA-N 0 1 342.351 3.118 20 5 EGBDMN Cc1cc(COC(=O)c2ccc3cncn3c2C)ccc1[N+](=O)[O-] ZINC001320030409 1386463616 /nfs/dbraw/zinc/46/36/16/1386463616.db2.gz IAYPGOVMDJZCEF-UHFFFAOYSA-N 0 1 325.324 3.216 20 5 EGBDMN O=C([O-])[C@H](CCc1ccccc1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001335273059 1390663730 /nfs/dbraw/zinc/66/37/30/1390663730.db2.gz LMSUUTQNZBXOJU-SFHVURJKSA-N 0 1 340.379 3.039 20 5 EGBDMN CC(C)C(C)(C)C(=O)NCC1(NCc2cccc([N+](=O)[O-])c2)CC1 ZINC001754515029 1440618331 /nfs/dbraw/zinc/61/83/31/1440618331.db2.gz NKFZULWZYTWVDH-UHFFFAOYSA-N 0 1 333.432 3.015 20 5 EGBDMN CC/C(C)=C/C(=O)N(C)CCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC001755036259 1440734599 /nfs/dbraw/zinc/73/45/99/1440734599.db2.gz RBIONYOLAPLRNC-FYWRMAATSA-N 0 1 333.432 3.231 20 5 EGBDMN CC(C)CN1CCN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])CC1 ZINC001164652502 719331378 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CC(C)c1nnc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])s1 ZINC000109740845 204289503 /nfs/dbraw/zinc/28/95/03/204289503.db2.gz RXLQGZKQGJKVPH-UHFFFAOYSA-N 0 1 326.765 3.475 20 5 EGBDMN CCCO[C@@H]1CCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000108391426 204260968 /nfs/dbraw/zinc/26/09/68/204260968.db2.gz JIWBLUWDFNPOLC-WMLDXEAASA-N 0 1 349.431 3.203 20 5 EGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1Cc2ccccc2C1 ZINC000155499048 206011460 /nfs/dbraw/zinc/01/14/60/206011460.db2.gz BEHRTNGOFWXMLD-UHFFFAOYSA-N 0 1 325.368 3.248 20 5 EGBDMN Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2n[nH]c(C)c2[N+](=O)[O-])o1 ZINC000266380874 248273992 /nfs/dbraw/zinc/27/39/92/248273992.db2.gz XCXZIOSZOOJMGJ-JOYOIKCWSA-N 0 1 332.360 3.141 20 5 EGBDMN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2n[nH]c(C)c2[N+](=O)[O-])o1 ZINC000266380868 248274494 /nfs/dbraw/zinc/27/44/94/248274494.db2.gz XCXZIOSZOOJMGJ-CABZTGNLSA-N 0 1 332.360 3.141 20 5 EGBDMN CC(C)[C@@]1(CO)CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000377655719 169055709 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EGBDMN CC[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000195180026 153386213 /nfs/dbraw/zinc/38/62/13/153386213.db2.gz IHGJLDUREURORR-MRXNPFEDSA-N 0 1 327.384 3.243 20 5 EGBDMN COCCN(Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@H]1CC[C@@H](C)C1 ZINC000362159238 157051043 /nfs/dbraw/zinc/05/10/43/157051043.db2.gz VCABRODOZMHAHP-OCCSQVGLSA-N 0 1 340.395 3.380 20 5 EGBDMN CCOc1cc(CN2CCC([C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000372798218 157386495 /nfs/dbraw/zinc/38/64/95/157386495.db2.gz FKVFFVUQHPLKFB-MRXNPFEDSA-N 0 1 334.416 3.242 20 5 EGBDMN O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@@]4(CCOC4)C3)cs2)c1 ZINC000093819969 162029976 /nfs/dbraw/zinc/02/99/76/162029976.db2.gz AZOVXVZGLYWGTR-QGZVFWFLSA-N 0 1 345.424 3.331 20 5 EGBDMN Cc1c(NC(=O)CCN[C@@H](C)c2ccncc2F)cccc1[N+](=O)[O-] ZINC000338340494 163215547 /nfs/dbraw/zinc/21/55/47/163215547.db2.gz IOKGWDTWSUNMAE-LBPRGKRZSA-N 0 1 346.362 3.117 20 5 EGBDMN C[C@H](C(=O)NC1CCC(C)CC1)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338346060 163218580 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CCc1ccc([C@H]2CCCCN2C(=O)c2n[nH]c(C)c2[N+](=O)[O-])o1 ZINC000266040335 455422092 /nfs/dbraw/zinc/42/20/92/455422092.db2.gz CFEVQZTXDJVRAU-GFCCVEGCSA-N 0 1 332.360 3.149 20 5 EGBDMN Cc1cnc([C@H](NCCOc2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000185303222 455536730 /nfs/dbraw/zinc/53/67/30/455536730.db2.gz FEKABNZAHUOPGE-OAHLLOKOSA-N 0 1 333.413 3.479 20 5 EGBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]2CCCc2ccccc2)c1[N+](=O)[O-] ZINC000268983632 455753265 /nfs/dbraw/zinc/75/32/65/455753265.db2.gz KXHGQSLRUFNDGZ-OAHLLOKOSA-N 0 1 342.399 3.254 20 5 EGBDMN COc1ccc([C@H]2CCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000269157568 455799747 /nfs/dbraw/zinc/79/97/47/455799747.db2.gz VVNNYFMJKUQYLG-QGZVFWFLSA-N 0 1 342.351 3.286 20 5 EGBDMN Cn1ncc2c1CCC[C@H]2N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278287433 455806932 /nfs/dbraw/zinc/80/69/32/455806932.db2.gz QSPLSXODUNSVHM-DLBZAZTESA-N 0 1 326.400 3.373 20 5 EGBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000269324512 455836001 /nfs/dbraw/zinc/83/60/01/455836001.db2.gz KHFYJEHKQDBLET-JTQLQIEISA-N 0 1 334.401 3.480 20 5 EGBDMN Cc1cc(C2CCN(C(=O)C=Cc3ccccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000272216434 455879920 /nfs/dbraw/zinc/87/99/20/455879920.db2.gz JVOLTEZIKCSVQT-VOTSOKGWSA-N 0 1 340.383 3.046 20 5 EGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(c2ccc(O)cc2)CC1 ZINC000272565548 455995648 /nfs/dbraw/zinc/99/56/48/455995648.db2.gz MGTLRYAOFDZETM-UHFFFAOYSA-N 0 1 342.351 3.026 20 5 EGBDMN Cc1ccccc1CN(C)C(=O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296745460 456027753 /nfs/dbraw/zinc/02/77/53/456027753.db2.gz PDBLNFVSYBQLNW-HNNXBMFYSA-N 0 1 341.411 3.212 20 5 EGBDMN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000263011831 456076971 /nfs/dbraw/zinc/07/69/71/456076971.db2.gz CAUYZHVKHOEENH-QWHCGFSZSA-N 0 1 344.367 3.397 20 5 EGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000289872904 456164082 /nfs/dbraw/zinc/16/40/82/456164082.db2.gz QWYXESBWIISKFU-GFCCVEGCSA-N 0 1 341.358 3.209 20 5 EGBDMN CC(C)c1ccc(C(=O)N[C@H]2CCCc3cn[nH]c32)cc1[N+](=O)[O-] ZINC000275871400 456338537 /nfs/dbraw/zinc/33/85/37/456338537.db2.gz DODIWWCAPMDISY-AWEZNQCLSA-N 0 1 328.372 3.249 20 5 EGBDMN O=[N+]([O-])c1ccc2c(c1NC[C@@H](c1ccco1)N1CCCC1)CCN2 ZINC000302443207 456343788 /nfs/dbraw/zinc/34/37/88/456343788.db2.gz NOGHHULDZXUMCD-INIZCTEOSA-N 0 1 342.399 3.405 20 5 EGBDMN Cc1cccc(C(C)(C)NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000303747327 456483021 /nfs/dbraw/zinc/48/30/21/456483021.db2.gz GMXQLNOSMZHMKL-UHFFFAOYSA-N 0 1 338.367 3.445 20 5 EGBDMN C[C@H](NCc1ccc([N+](=O)[O-])cc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000340430915 456456357 /nfs/dbraw/zinc/45/63/57/456456357.db2.gz IJAKDHUEJBXSKN-KGLIPLIRSA-N 0 1 339.395 3.051 20 5 EGBDMN CCN(C[C@@H](C)OC)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000291326294 456606846 /nfs/dbraw/zinc/60/68/46/456606846.db2.gz VEUUCKOXFGDUCY-VXGBXAGGSA-N 0 1 334.376 3.063 20 5 EGBDMN COc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000299375614 456673047 /nfs/dbraw/zinc/67/30/47/456673047.db2.gz FZWRAKGUBPOHJN-STQMWFEESA-N 0 1 343.383 3.281 20 5 EGBDMN CCOCCO[C@@H]1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000340769797 456676732 /nfs/dbraw/zinc/67/67/32/456676732.db2.gz DEHWSPYQTSPHHA-OAHLLOKOSA-N 0 1 345.399 3.083 20 5 EGBDMN CC(C)(C)OC(=O)NCC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000299641289 456750962 /nfs/dbraw/zinc/75/09/62/456750962.db2.gz QENYVKFQSODAIG-UHFFFAOYSA-N 0 1 349.431 3.332 20 5 EGBDMN C[C@H](NCC(=O)N1CCC[C@H]2CCCC[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000299733962 456776422 /nfs/dbraw/zinc/77/64/22/456776422.db2.gz ZEDGTVAGYRWVMQ-HDMKZQKVSA-N 0 1 345.443 3.427 20 5 EGBDMN CN(C)[C@H](CNc1ccc([N+](=O)[O-])c2cccnc12)c1ccco1 ZINC000301064734 456787655 /nfs/dbraw/zinc/78/76/55/456787655.db2.gz GFBZEVHOEWATDX-OAHLLOKOSA-N 0 1 326.356 3.451 20 5 EGBDMN O=[N+]([O-])c1ccc(Nc2ccc(CCN3CCOCC3)cc2)cc1 ZINC000301109725 456799015 /nfs/dbraw/zinc/79/90/15/456799015.db2.gz VNVFUZGDQMRYSF-UHFFFAOYSA-N 0 1 327.384 3.213 20 5 EGBDMN Cc1cc(NCc2nccc(C(F)F)n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000340986438 456800805 /nfs/dbraw/zinc/80/08/05/456800805.db2.gz ULNHMVXHRDNOBJ-UHFFFAOYSA-N 0 1 345.309 3.213 20 5 EGBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000277507900 456847050 /nfs/dbraw/zinc/84/70/50/456847050.db2.gz WBPSRYSCLHVROU-VHSXEESVSA-N 0 1 332.364 3.109 20 5 EGBDMN CC(C)c1nc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])s2)n[nH]1 ZINC000292110851 456857895 /nfs/dbraw/zinc/85/78/95/456857895.db2.gz WFLFKNBVWIWQCB-SNVBAGLBSA-N 0 1 349.416 3.265 20 5 EGBDMN CC(C)OCCCN(C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000353698090 456860198 /nfs/dbraw/zinc/86/01/98/456860198.db2.gz KWYCLIJYPFOVHD-UHFFFAOYSA-N 0 1 332.347 3.443 20 5 EGBDMN CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000339067427 456924635 /nfs/dbraw/zinc/92/46/35/456924635.db2.gz YEEWAVOMYWVUIK-LLVKDONJSA-N 0 1 329.356 3.110 20 5 EGBDMN CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])CCC2 ZINC000345206569 456967956 /nfs/dbraw/zinc/96/79/56/456967956.db2.gz GVHNUDSEQYVMSH-AWEZNQCLSA-N 0 1 328.372 3.249 20 5 EGBDMN C[C@@H](C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@H](C)CO)c1ccccc1 ZINC000339201340 456989005 /nfs/dbraw/zinc/98/90/05/456989005.db2.gz QYZLHSLEBHUXFK-LSDHHAIUSA-N 0 1 344.411 3.287 20 5 EGBDMN CCc1[nH]nc(C(=O)N2Cc3cc(C)ccc3CC2(C)C)c1[N+](=O)[O-] ZINC000358880308 457020041 /nfs/dbraw/zinc/02/00/41/457020041.db2.gz MLRDBFWCHHHYGV-UHFFFAOYSA-N 0 1 342.399 3.166 20 5 EGBDMN COc1ccc2cc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)ccc2n1 ZINC000356516454 457031992 /nfs/dbraw/zinc/03/19/92/457031992.db2.gz VYMXHUDKFSDKHR-UHFFFAOYSA-N 0 1 339.307 3.110 20 5 EGBDMN CC[C@@H](NCC(=O)N1Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000359044950 457048754 /nfs/dbraw/zinc/04/87/54/457048754.db2.gz HUOGITGTLPLKDF-GOSISDBHSA-N 0 1 339.395 3.178 20 5 EGBDMN COc1ccc(NC(=O)[C@H](C)N2CC[C@H](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000339670379 457203003 /nfs/dbraw/zinc/20/30/03/457203003.db2.gz BZHNGDNIJQLJNG-GXTWGEPZSA-N 0 1 347.415 3.052 20 5 EGBDMN CN(C(=O)CN1CCCC2(CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000331589710 457212808 /nfs/dbraw/zinc/21/28/08/457212808.db2.gz PPKBLXCTHJMNIX-UHFFFAOYSA-N 0 1 331.416 3.214 20 5 EGBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000331653823 457225125 /nfs/dbraw/zinc/22/51/25/457225125.db2.gz SBVMZKLEZFXUHD-GFCCVEGCSA-N 0 1 334.763 3.257 20 5 EGBDMN CCc1nc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cs1 ZINC000331686586 457230487 /nfs/dbraw/zinc/23/04/87/457230487.db2.gz XSTZSPDUBFAXSZ-QWHCGFSZSA-N 0 1 335.433 3.084 20 5 EGBDMN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H](CO)CC(F)(F)F)o2)cc1 ZINC000339795702 457274709 /nfs/dbraw/zinc/27/47/09/457274709.db2.gz UOYXYBAGJHYHJQ-LLVKDONJSA-N 0 1 344.289 3.258 20 5 EGBDMN Cn1cc(C[C@@H]2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C2)cn1 ZINC000363353931 457302720 /nfs/dbraw/zinc/30/27/20/457302720.db2.gz WTUJQJLQUDAWNJ-LBPRGKRZSA-N 0 1 334.807 3.046 20 5 EGBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)CC[C@H]1CCCO1 ZINC000342605592 457396383 /nfs/dbraw/zinc/39/63/83/457396383.db2.gz YWHNYQZXBPMNOI-SWLSCSKDSA-N 0 1 346.387 3.207 20 5 EGBDMN CC(C)c1ccc(CN2CCC[C@H](n3ccnn3)C2)cc1[N+](=O)[O-] ZINC000425354154 457514911 /nfs/dbraw/zinc/51/49/11/457514911.db2.gz RDMHMFBAGJJMKB-HNNXBMFYSA-N 0 1 329.404 3.147 20 5 EGBDMN CC(C)Oc1ccccc1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356329331 457573674 /nfs/dbraw/zinc/57/36/74/457573674.db2.gz ABWXNYDUAYQHQL-UHFFFAOYSA-N 0 1 330.340 3.018 20 5 EGBDMN Cc1c(NC(=O)[C@@H](C)N[C@@H](C)c2cncc(F)c2)cccc1[N+](=O)[O-] ZINC000361135624 457604480 /nfs/dbraw/zinc/60/44/80/457604480.db2.gz MOWQHBGUCDLINR-NWDGAFQWSA-N 0 1 346.362 3.115 20 5 EGBDMN CCc1cnccc1[C@H](C)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000361134701 457604631 /nfs/dbraw/zinc/60/46/31/457604631.db2.gz IDUIWNOYJBKITQ-STQMWFEESA-N 0 1 342.399 3.230 20 5 EGBDMN C[C@@H]1[C@H](C)N(C)CCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000361151059 457614985 /nfs/dbraw/zinc/61/49/85/457614985.db2.gz CMEXHPXRVXFRQE-QWHCGFSZSA-N 0 1 346.456 3.243 20 5 EGBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@H](C)C[C@H](C)C1 ZINC000443663729 457801396 /nfs/dbraw/zinc/80/13/96/457801396.db2.gz YQRKJUUHQCIETA-RDBSUJKOSA-N 0 1 349.431 3.298 20 5 EGBDMN O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@@H]([C@H]4CCOC4)C3)co2)cc1 ZINC000371187321 457820356 /nfs/dbraw/zinc/82/03/56/457820356.db2.gz BIALIJJHXKHYDF-CABCVRRESA-N 0 1 343.383 3.108 20 5 EGBDMN CCc1[nH]nc(C(=O)N2CC3(CCCCC3)[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000458202111 457968203 /nfs/dbraw/zinc/96/82/03/457968203.db2.gz XHKDQYUNGKKNFZ-HNNXBMFYSA-N 0 1 334.420 3.311 20 5 EGBDMN COc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000444773328 457972166 /nfs/dbraw/zinc/97/21/66/457972166.db2.gz RCGAPWWNINNVER-UONOGXRCSA-N 0 1 349.431 3.298 20 5 EGBDMN CN(Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000412008113 458042697 /nfs/dbraw/zinc/04/26/97/458042697.db2.gz KFMVMTDPDPCNIP-HZPDHXFCSA-N 0 1 328.416 3.487 20 5 EGBDMN Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1cncc(Cl)c1 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EGBDMN Cc1ccsc1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146716697 454859977 /nfs/dbraw/zinc/85/99/77/454859977.db2.gz PTHMTLWZPJMCSZ-UHFFFAOYSA-N 0 1 346.817 3.097 20 5 EGBDMN CC[C@@H](CNc1ncc([N+](=O)[O-])cc1Br)N1CCCC1 ZINC000301510527 456134043 /nfs/dbraw/zinc/13/40/43/456134043.db2.gz CYQCEDYAMRJFLQ-JTQLQIEISA-N 0 1 343.225 3.039 20 5 EGBDMN C[C@H](N[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178659524 323359508 /nfs/dbraw/zinc/35/95/08/323359508.db2.gz HBLINGFAPCDROC-QWQRMKEZSA-N 0 1 339.395 3.439 20 5 EGBDMN CCOc1ccc(NC(=O)CN(CCC(C)C)C2CC2)c([N+](=O)[O-])c1 ZINC000027110765 453811176 /nfs/dbraw/zinc/81/11/76/453811176.db2.gz ZGBCGWYOBORCPA-UHFFFAOYSA-N 0 1 349.431 3.443 20 5 EGBDMN Cc1[nH]nc(C(=O)N(C)C2c3ccccc3-c3ccccc32)c1[N+](=O)[O-] ZINC000081456104 453873594 /nfs/dbraw/zinc/87/35/94/453873594.db2.gz ABSMJQROJBVHRM-UHFFFAOYSA-N 0 1 348.362 3.468 20 5 EGBDMN CCN(CC)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000067276609 453917321 /nfs/dbraw/zinc/91/73/21/453917321.db2.gz RIVZFBILHIEWGJ-MRXNPFEDSA-N 0 1 345.399 3.309 20 5 EGBDMN O=[N+]([O-])c1ccccc1CN(CCc1ccccc1)[C@@H]1CCOC1 ZINC000084134132 453971457 /nfs/dbraw/zinc/97/14/57/453971457.db2.gz QFRJLXBECMBDBG-GOSISDBHSA-N 0 1 326.396 3.428 20 5 EGBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(Cl)cc1F ZINC000055555623 453994476 /nfs/dbraw/zinc/99/44/76/453994476.db2.gz UTAAOIXTBJZAEG-UHFFFAOYSA-N 0 1 344.751 3.497 20 5 EGBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cc(Cl)ccc1F ZINC000055567678 453995625 /nfs/dbraw/zinc/99/56/25/453995625.db2.gz SCHMBOWWWYBVJW-UHFFFAOYSA-N 0 1 344.751 3.497 20 5 EGBDMN CCC[C@H](NCCS(=O)(=O)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000089627884 454170182 /nfs/dbraw/zinc/17/01/82/454170182.db2.gz QEBRVKYVLJLNET-HNNXBMFYSA-N 0 1 342.461 3.239 20 5 EGBDMN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCN(CC2CCCCC2)CC1 ZINC000070825718 454178544 /nfs/dbraw/zinc/17/85/44/454178544.db2.gz GNQVDOPIOFIFIH-UHFFFAOYSA-N 0 1 349.406 3.072 20 5 EGBDMN Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119576706 454205097 /nfs/dbraw/zinc/20/50/97/454205097.db2.gz UWBGKSTWQWVFAM-CYBMUJFWSA-N 0 1 348.834 3.436 20 5 EGBDMN CCOC[C@@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089901358 454229435 /nfs/dbraw/zinc/22/94/35/454229435.db2.gz GHADOPHXAXYULC-CQSZACIVSA-N 0 1 345.399 3.498 20 5 EGBDMN CCCCCN(CCO)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089897704 454229601 /nfs/dbraw/zinc/22/96/01/454229601.db2.gz YYZUVEGOUMWDED-UHFFFAOYSA-N 0 1 333.388 3.234 20 5 EGBDMN CC[C@H](N[C@@H](C)C(=O)NCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000090068529 454271014 /nfs/dbraw/zinc/27/10/14/454271014.db2.gz FSJGWEWQMPIPKJ-KSSFIOAISA-N 0 1 341.411 3.340 20 5 EGBDMN CC1CCN(CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000047119963 454331884 /nfs/dbraw/zinc/33/18/84/454331884.db2.gz JAGPFBDNQZTXFI-UHFFFAOYSA-N 0 1 347.440 3.271 20 5 EGBDMN O=C(Nc1nc(-c2ccccc2)ns1)c1ccc([N+](=O)[O-])s1 ZINC000078948316 454343165 /nfs/dbraw/zinc/34/31/65/454343165.db2.gz IJVCLWKJBKQFJJ-UHFFFAOYSA-N 0 1 332.366 3.427 20 5 EGBDMN O=[N+]([O-])c1ccc(CN2CCN(CCc3cccs3)CC2)cc1 ZINC000064351671 454475286 /nfs/dbraw/zinc/47/52/86/454475286.db2.gz JCBXRZQUOJLPNB-UHFFFAOYSA-N 0 1 331.441 3.017 20 5 EGBDMN Cc1ccc(CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)C)s1 ZINC000065161954 454533641 /nfs/dbraw/zinc/53/36/41/454533641.db2.gz CKYHOKRIVKUJOL-UHFFFAOYSA-N 0 1 347.440 3.474 20 5 EGBDMN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000134654471 454574725 /nfs/dbraw/zinc/57/47/25/454574725.db2.gz FNENVKDSZVAWBC-DZGCQCFKSA-N 0 1 349.431 3.472 20 5 EGBDMN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000134654471 454574729 /nfs/dbraw/zinc/57/47/29/454574729.db2.gz FNENVKDSZVAWBC-DZGCQCFKSA-N 0 1 349.431 3.472 20 5 EGBDMN C[C@@H]1CN(CCCNc2ccc3ncccc3c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000051649980 454633583 /nfs/dbraw/zinc/63/35/83/454633583.db2.gz WSQQXCSBHSILFZ-ZIAGYGMSSA-N 0 1 344.415 3.054 20 5 EGBDMN CCCCCNC(=O)C1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000152999897 454751091 /nfs/dbraw/zinc/75/10/91/454751091.db2.gz SJXZCVRAVALBIX-UHFFFAOYSA-N 0 1 347.459 3.422 20 5 EGBDMN CC(NC(=O)c1n[nH]cc1[N+](=O)[O-])(c1ccccc1)c1ccccc1 ZINC000136928000 454761421 /nfs/dbraw/zinc/76/14/21/454761421.db2.gz XYGOHRZCPHDBDD-UHFFFAOYSA-N 0 1 336.351 3.011 20 5 EGBDMN CCCc1[nH]nc(C(=O)N2CCCC3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000111660188 454870940 /nfs/dbraw/zinc/87/09/40/454870940.db2.gz NPFFPLYDZSBZMS-UHFFFAOYSA-N 0 1 334.420 3.457 20 5 EGBDMN O=C(NCC1(Sc2ccccc2)CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000154631558 454914416 /nfs/dbraw/zinc/91/44/16/454914416.db2.gz ASUZCNUWWBYPRX-UHFFFAOYSA-N 0 1 346.412 3.153 20 5 EGBDMN CC[C@H](N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCCO1 ZINC000182317950 455488170 /nfs/dbraw/zinc/48/81/70/455488170.db2.gz YYUZLOGPUIVPIX-TUKIKUTGSA-N 0 1 346.387 3.253 20 5 EGBDMN CC[C@@H]1c2ccccc2CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000114493343 454957599 /nfs/dbraw/zinc/95/75/99/454957599.db2.gz VELUVCYBYAYUNF-QGZVFWFLSA-N 0 1 339.395 3.203 20 5 EGBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C1CCCCC1 ZINC000180443444 455171297 /nfs/dbraw/zinc/17/12/97/455171297.db2.gz MSLFXFIAQPBIFN-UONOGXRCSA-N 0 1 333.432 3.425 20 5 EGBDMN COc1cc(CN(C)C[C@@H](C)c2nccs2)c([N+](=O)[O-])cc1F ZINC000184404370 455378017 /nfs/dbraw/zinc/37/80/17/455378017.db2.gz ASKRNGGFDMJOEJ-SNVBAGLBSA-N 0 1 339.392 3.435 20 5 EGBDMN C[C@@H](N[C@@H](C)CS(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000185149684 455510928 /nfs/dbraw/zinc/51/09/28/455510928.db2.gz HNLXTNMHHLZOQJ-UONOGXRCSA-N 0 1 348.424 3.108 20 5 EGBDMN CCc1[nH]nc(C(=O)N2CCCCC[C@H]2c2ccco2)c1[N+](=O)[O-] ZINC000185695828 455599619 /nfs/dbraw/zinc/59/96/19/455599619.db2.gz NZAKCAYBCSZOCE-LBPRGKRZSA-N 0 1 332.360 3.231 20 5 EGBDMN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H]1COC2(CCCC2)O1 ZINC000271392105 455620934 /nfs/dbraw/zinc/62/09/34/455620934.db2.gz GDYQQKVIRROLPH-ZDUSSCGKSA-N 0 1 326.780 3.024 20 5 EGBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)n[nH]1 ZINC000277698636 455638026 /nfs/dbraw/zinc/63/80/26/455638026.db2.gz DIYAKKXJPZMAMG-KOLCDFICSA-N 0 1 331.376 3.026 20 5 EGBDMN CSC[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000292432000 455661736 /nfs/dbraw/zinc/66/17/36/455661736.db2.gz NRIYKAJZAQLLMS-LLVKDONJSA-N 0 1 325.390 3.078 20 5 EGBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2C)n[nH]1 ZINC000277880608 455695686 /nfs/dbraw/zinc/69/56/86/455695686.db2.gz PDJNLUMDKKTSRY-GXSJLCMTSA-N 0 1 331.376 3.026 20 5 EGBDMN CSc1ccc(C(=O)N2CCN(C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000192839295 455703421 /nfs/dbraw/zinc/70/34/21/455703421.db2.gz QGQQUWANBAFCOD-UHFFFAOYSA-N 0 1 349.456 3.017 20 5 EGBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccccc1OCCO)CCC2 ZINC000192893992 455713959 /nfs/dbraw/zinc/71/39/59/455713959.db2.gz YIRDYVIGCUPNTB-SFHVURJKSA-N 0 1 342.395 3.133 20 5 EGBDMN CSc1ccccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000187016540 455862082 /nfs/dbraw/zinc/86/20/82/455862082.db2.gz NENPEZWVQBTYPN-UHFFFAOYSA-N 0 1 338.410 3.426 20 5 EGBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000285980658 455953322 /nfs/dbraw/zinc/95/33/22/455953322.db2.gz YWILMDUYXBZZRN-UHFFFAOYSA-N 0 1 345.399 3.090 20 5 EGBDMN C[C@](O)(CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(F)(F)F ZINC000270568113 455984674 /nfs/dbraw/zinc/98/46/74/455984674.db2.gz SKCVGTOTMCDJHB-AWEZNQCLSA-N 0 1 344.289 3.258 20 5 EGBDMN O=C(NC1CCC(C(F)(F)F)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272570994 455997903 /nfs/dbraw/zinc/99/79/03/455997903.db2.gz NBOYSWXEBRPFJO-UHFFFAOYSA-N 0 1 332.278 3.151 20 5 EGBDMN CCOC[C@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000286236705 456006205 /nfs/dbraw/zinc/00/62/05/456006205.db2.gz RRDZLVOFFPREOP-INIZCTEOSA-N 0 1 333.388 3.401 20 5 EGBDMN CCOc1ccccc1NC(=O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296715224 456018559 /nfs/dbraw/zinc/01/85/59/456018559.db2.gz MJSIQNQBSRIECH-ZDUSSCGKSA-N 0 1 343.383 3.283 20 5 EGBDMN CCOc1ccc([C@@H](C)N[C@@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000271110762 456129572 /nfs/dbraw/zinc/12/95/72/456129572.db2.gz HIBWJTDZPYLDJJ-CJNGLKHVSA-N 0 1 330.384 3.378 20 5 EGBDMN COCCc1ncc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000601109785 460715215 /nfs/dbraw/zinc/71/52/15/460715215.db2.gz ZHSYWBSQQHJYBG-GFCCVEGCSA-N 0 1 335.429 3.399 20 5 EGBDMN O=C([O-])[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000263389746 456139917 /nfs/dbraw/zinc/13/99/17/456139917.db2.gz DWQNUYACSRHMCL-ZDUSSCGKSA-N 0 1 330.340 3.151 20 5 EGBDMN COc1ccc(CN[C@H](CN(C)C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000290162363 456256512 /nfs/dbraw/zinc/25/65/12/456256512.db2.gz QEBSUKCPZHHZAZ-MRXNPFEDSA-N 0 1 347.390 3.135 20 5 EGBDMN CCN1CCC[C@@H]1CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275450791 456274816 /nfs/dbraw/zinc/27/48/16/456274816.db2.gz IVTLHGMWVVJKNM-OAHLLOKOSA-N 0 1 349.434 3.308 20 5 EGBDMN O=[N+]([O-])c1cc2c(ncnc2NCCc2ccc3cn[nH]c3c2)s1 ZINC000343053932 456374790 /nfs/dbraw/zinc/37/47/90/456374790.db2.gz TZBGXFNLNJGFCC-UHFFFAOYSA-N 0 1 340.368 3.130 20 5 EGBDMN CCN(CCc1cccs1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000298267699 456411493 /nfs/dbraw/zinc/41/14/93/456411493.db2.gz BTSFOWHYPGCSIF-UHFFFAOYSA-N 0 1 344.396 3.237 20 5 EGBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000277063255 456668569 /nfs/dbraw/zinc/66/85/69/456668569.db2.gz MTUUGGXOJUXICY-GJKHTVIGSA-N 0 1 343.387 3.117 20 5 EGBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]2c2ccccc2Cl)c1[N+](=O)[O-] ZINC000299495579 456711187 /nfs/dbraw/zinc/71/11/87/456711187.db2.gz BFDHVUKXYPXOBI-LBPRGKRZSA-N 0 1 334.763 3.257 20 5 EGBDMN CC[C@@H](C)N(CC(=O)OC(C)(C)C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339044092 456912744 /nfs/dbraw/zinc/91/27/44/456912744.db2.gz IMARHXNPRPVONF-GFCCVEGCSA-N 0 1 338.404 3.243 20 5 EGBDMN COc1cc(C)c([C@H](C)[NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])cc1OC ZINC000339069799 456925900 /nfs/dbraw/zinc/92/59/00/456925900.db2.gz LQTBIDOCTZWFRT-LBPRGKRZSA-N 0 1 346.383 3.477 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EGBDMN C[C@H]1CN(CCCNc2nccc3cc([N+](=O)[O-])ccc32)C[C@H](C)O1 ZINC000450241468 310110509 /nfs/dbraw/zinc/11/05/09/310110509.db2.gz JCWSJXGQFSGHAN-KBPBESRZSA-N 0 1 344.415 3.054 20 5 EGBDMN C[C@H](C1CCC1)N(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000450574341 310130971 /nfs/dbraw/zinc/13/09/71/310130971.db2.gz ZLTWTRLXDINTCB-LLVKDONJSA-N 0 1 328.372 3.246 20 5 EGBDMN COc1ccc(CN2CCC[C@@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000451002634 310154946 /nfs/dbraw/zinc/15/49/46/310154946.db2.gz SVVPCWRDPXDSJT-MRXNPFEDSA-N 0 1 327.384 3.378 20 5 EGBDMN CC1(C)[C@H](NCc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]2CCCO[C@H]21 ZINC000451474270 310180096 /nfs/dbraw/zinc/18/00/96/310180096.db2.gz AJVGHNPHLIJQJR-COLVAYQJSA-N 0 1 326.343 3.166 20 5 EGBDMN CCO[C@@H]1CCCC[C@H]1NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000452036106 310208578 /nfs/dbraw/zinc/20/85/78/310208578.db2.gz ZLCFQCZHWBIRSP-HUUCEWRRSA-N 0 1 346.387 3.082 20 5 EGBDMN C[C@@H](CN1CCN(c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000462863945 310606942 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CC[C@H]1CN(C)CCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000549253946 315083821 /nfs/dbraw/zinc/08/38/21/315083821.db2.gz KWDSCMUYRVLEIY-HNNXBMFYSA-N 0 1 344.390 3.326 20 5 EGBDMN COc1ccc(CN2CCC(c3c[nH]nc3C)CC2)cc1[N+](=O)[O-] ZINC000551723961 315165178 /nfs/dbraw/zinc/16/51/78/315165178.db2.gz WVZIVVBSJIEZSV-UHFFFAOYSA-N 0 1 330.388 3.015 20 5 EGBDMN CCc1cccc(NC(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173407335 323295663 /nfs/dbraw/zinc/29/56/63/323295663.db2.gz YIZAFISVSKQBJF-CYBMUJFWSA-N 0 1 327.384 3.447 20 5 EGBDMN CC[C@H](N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCCO1 ZINC000182317910 323542572 /nfs/dbraw/zinc/54/25/72/323542572.db2.gz YYUZLOGPUIVPIX-CQDKDKBSSA-N 0 1 346.387 3.253 20 5 EGBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2NCc1cnn(CC(F)(F)F)c1 ZINC000580094298 325203135 /nfs/dbraw/zinc/20/31/35/325203135.db2.gz NBMFJYIESJDAFW-CYBMUJFWSA-N 0 1 340.305 3.131 20 5 EGBDMN CN(Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1N1CCOCC1 ZINC000016424488 453605982 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Cc1ccc(S(=O)(=O)Nc2cccc3ccn(C)c32)cc1[N+](=O)[O-] ZINC000190852319 455392100 /nfs/dbraw/zinc/39/21/00/455392100.db2.gz KQAVYLBUMDKCAC-UHFFFAOYSA-N 0 1 345.380 3.196 20 5 EGBDMN C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1F ZINC000045280479 454149658 /nfs/dbraw/zinc/14/96/58/454149658.db2.gz CLBBBWTUYPKBFG-QMMMGPOBSA-N 0 1 346.293 3.240 20 5 EGBDMN CCN(Cc1cccc(F)c1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000045289881 454150560 /nfs/dbraw/zinc/15/05/60/454150560.db2.gz MSEODGSBYPPRBI-UHFFFAOYSA-N 0 1 342.330 3.273 20 5 EGBDMN CC(C)Cc1ccc([C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C2CC2)cc1 ZINC000130452884 454199172 /nfs/dbraw/zinc/19/91/72/454199172.db2.gz SCUBXTXWVSKJKG-MRXNPFEDSA-N 0 1 342.399 3.398 20 5 EGBDMN C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccsc1 ZINC000131072085 454234031 /nfs/dbraw/zinc/23/40/31/454234031.db2.gz JHJDZXVMDTVCQU-SECBINFHSA-N 0 1 343.368 3.184 20 5 EGBDMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCN(C)C[C@H]1C(C)C ZINC000119939842 454239033 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ZINC000181244209 455306419 /nfs/dbraw/zinc/30/64/19/455306419.db2.gz HGXJOGWWFZSFME-ZDUSSCGKSA-N 0 1 327.388 3.283 20 5 EGBDMN Cc1cc(N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)ccc1[N+](=O)[O-] ZINC000181244209 455306425 /nfs/dbraw/zinc/30/64/25/455306425.db2.gz HGXJOGWWFZSFME-ZDUSSCGKSA-N 0 1 327.388 3.283 20 5 EGBDMN COc1cc(CN2CC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000245882055 455391324 /nfs/dbraw/zinc/39/13/24/455391324.db2.gz BESCBFXTBWHFRN-MNOVXSKESA-N 0 1 344.358 3.478 20 5 EGBDMN C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000265867821 455396878 /nfs/dbraw/zinc/39/68/78/455396878.db2.gz UTIXPCGKXGYXGR-CZUORRHYSA-N 0 1 349.431 3.330 20 5 EGBDMN CCC[N@@H+]1Cc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])c2C1 ZINC000181968704 455406042 /nfs/dbraw/zinc/40/60/42/455406042.db2.gz SRGAQKUMPONCEE-UHFFFAOYSA-N 0 1 341.367 3.278 20 5 EGBDMN CCC[N@H+]1Cc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])c2C1 ZINC000181968704 455406046 /nfs/dbraw/zinc/40/60/46/455406046.db2.gz SRGAQKUMPONCEE-UHFFFAOYSA-N 0 1 341.367 3.278 20 5 EGBDMN CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1cccnc1 ZINC000182034936 455421191 /nfs/dbraw/zinc/42/11/91/455421191.db2.gz ANTPUUUKWFYMDB-UHFFFAOYSA-N 0 1 337.383 3.022 20 5 EGBDMN O=[N+]([O-])c1ccccc1CN[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192118239 455559684 /nfs/dbraw/zinc/55/96/84/455559684.db2.gz JSKKNHBMICNEKI-RDJZCZTQSA-N 0 1 334.322 3.493 20 5 EGBDMN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1cc(F)cc2nc[nH]c21 ZINC000186021813 455677821 /nfs/dbraw/zinc/67/78/21/455677821.db2.gz YJHUTWSOYADQAC-UHFFFAOYSA-N 0 1 348.721 3.194 20 5 EGBDMN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000192731588 455680508 /nfs/dbraw/zinc/68/05/08/455680508.db2.gz ARHPRJFBNKOGQS-UHFFFAOYSA-N 0 1 342.323 3.291 20 5 EGBDMN O=C(CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)Nc1ccc(F)cc1 ZINC000192784759 455692509 /nfs/dbraw/zinc/69/25/09/455692509.db2.gz OLYOUPFAWVWJKA-QGZVFWFLSA-N 0 1 343.358 3.340 20 5 EGBDMN COc1ccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1O ZINC000192800744 455695859 /nfs/dbraw/zinc/69/58/59/455695859.db2.gz JYYMUOWJFWKSQW-MRXNPFEDSA-N 0 1 328.368 3.476 20 5 EGBDMN Cc1[nH]nc(C(=O)N2[C@H](C)C[C@@H](c3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000292648341 455721735 /nfs/dbraw/zinc/72/17/35/455721735.db2.gz KWPFWHMBVGRDKO-MPKXVKKWSA-N 0 1 328.372 3.033 20 5 EGBDMN C[C@]12CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@H]1C2(Cl)Cl ZINC000284970986 455770338 /nfs/dbraw/zinc/77/03/38/455770338.db2.gz XPXKZUUSVSNSJM-MCIONIFRSA-N 0 1 345.226 3.144 20 5 EGBDMN Cn1ncc2c1CCC[C@@H]2N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278287447 455806719 /nfs/dbraw/zinc/80/67/19/455806719.db2.gz QSPLSXODUNSVHM-SJORKVTESA-N 0 1 326.400 3.373 20 5 EGBDMN C[C@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000285306319 455821251 /nfs/dbraw/zinc/82/12/51/455821251.db2.gz SGYFASIDGHSVFJ-QWRGUYRKSA-N 0 1 330.344 3.497 20 5 EGBDMN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](c1ccco1)N1CCCCC1 ZINC000195333355 455944987 /nfs/dbraw/zinc/94/49/87/455944987.db2.gz UYMUNRGZZYYMID-AWEZNQCLSA-N 0 1 347.419 3.352 20 5 EGBDMN Cn1ccnc1[C@H](NC[C@@H]1CC=CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272470328 455961398 /nfs/dbraw/zinc/96/13/98/455961398.db2.gz AERNIUFTFFJICI-RHSMWYFYSA-N 0 1 326.400 3.364 20 5 EGBDMN C[C@@](O)(CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(F)(F)F ZINC000270568114 455985085 /nfs/dbraw/zinc/98/50/85/455985085.db2.gz SKCVGTOTMCDJHB-CQSZACIVSA-N 0 1 344.289 3.258 20 5 EGBDMN COc1ccccc1C[C@H](C)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272561877 455993917 /nfs/dbraw/zinc/99/39/17/455993917.db2.gz QUDJZLYWLNKXIW-LBPRGKRZSA-N 0 1 344.367 3.012 20 5 EGBDMN COc1cc(F)cc(OC)c1CNCCc1ccccc1[N+](=O)[O-] ZINC000601107829 460713700 /nfs/dbraw/zinc/71/37/00/460713700.db2.gz ANINKCWRQVDRPL-UHFFFAOYSA-N 0 1 334.347 3.083 20 5 EGBDMN C[C@H]1c2ccsc2CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272961181 456126217 /nfs/dbraw/zinc/12/62/17/456126217.db2.gz SFUFVHGSPWQOSN-QWHCGFSZSA-N 0 1 348.424 3.015 20 5 EGBDMN CCCCCN(CCCOC)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000273067483 456166947 /nfs/dbraw/zinc/16/69/47/456166947.db2.gz ZKHPIDPFAIUACG-UHFFFAOYSA-N 0 1 340.424 3.110 20 5 EGBDMN CC[C@H](C)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000297522659 456241989 /nfs/dbraw/zinc/24/19/89/456241989.db2.gz SEWHUYAFNLKSOB-NSHDSACASA-N 0 1 340.811 3.196 20 5 EGBDMN CC[C@H]1CN(c2nccc(C)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000302161701 456303843 /nfs/dbraw/zinc/30/38/43/456303843.db2.gz PPSYNAKMBPAJCL-KRWDZBQOSA-N 0 1 340.427 3.399 20 5 EGBDMN CSc1cccc(C(=O)Nc2ncc(C(F)(F)F)[nH]2)c1[N+](=O)[O-] ZINC000337636355 456444078 /nfs/dbraw/zinc/44/40/78/456444078.db2.gz SSXDTENZDXBTGW-UHFFFAOYSA-N 0 1 346.290 3.311 20 5 EGBDMN Cc1[nH]nc(C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)c1[N+](=O)[O-] ZINC000299564870 456729887 /nfs/dbraw/zinc/72/98/87/456729887.db2.gz UOWZUQBRAFSFIL-UHFFFAOYSA-N 0 1 342.359 3.052 20 5 EGBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H]2C[C@@H](O)c2ccco2)cc1F ZINC000283252676 456745355 /nfs/dbraw/zinc/74/53/55/456745355.db2.gz VMWYQHSTWLUNEK-XJKSGUPXSA-N 0 1 334.347 3.415 20 5 EGBDMN CC(C)c1nc([C@H]2CCCCN2C(=O)c2csc([N+](=O)[O-])c2)n[nH]1 ZINC000292094860 456853798 /nfs/dbraw/zinc/85/37/98/456853798.db2.gz VCCHGSRNESMTAL-LLVKDONJSA-N 0 1 349.416 3.265 20 5 EGBDMN CCOC(=O)C[C@H](C)N(C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339084565 456933208 /nfs/dbraw/zinc/93/32/08/456933208.db2.gz QNIPHVWMRLNKDE-JTQLQIEISA-N 0 1 348.321 3.387 20 5 EGBDMN CC[C@@H](CO)[N@H+](Cc1ccccc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339085385 456933805 /nfs/dbraw/zinc/93/38/05/456933805.db2.gz VGAGIWUROWBETA-INIZCTEOSA-N 0 1 330.384 3.074 20 5 EGBDMN CC[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339085385 456933808 /nfs/dbraw/zinc/93/38/08/456933808.db2.gz VGAGIWUROWBETA-INIZCTEOSA-N 0 1 330.384 3.074 20 5 EGBDMN O=[N+]([O-])c1cccc(CN(Cc2ccccc2)CC2(CO)CC2)c1 ZINC000341939306 457015059 /nfs/dbraw/zinc/01/50/59/457015059.db2.gz OSYPXURKMJIFKV-UHFFFAOYSA-N 0 1 326.396 3.370 20 5 EGBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000362741973 457072895 /nfs/dbraw/zinc/07/28/95/457072895.db2.gz PTRMDURLXRRVEH-NXEZZACHSA-N 0 1 332.364 3.109 20 5 EGBDMN Cc1cccc2c(CCNC(=O)c3cc(O)cc([N+](=O)[O-])c3)c[nH]c21 ZINC000356601897 457078474 /nfs/dbraw/zinc/07/84/74/457078474.db2.gz UDLUYCATJHRRAX-UHFFFAOYSA-N 0 1 339.351 3.063 20 5 EGBDMN COc1cc(C(=O)Nc2c(C)n[nH]c2C(F)F)cc([N+](=O)[O-])c1C ZINC000359906227 457140978 /nfs/dbraw/zinc/14/09/78/457140978.db2.gz UMRRFUGHZSRHQS-UHFFFAOYSA-N 0 1 340.286 3.133 20 5 EGBDMN Cc1csc([C@H]2CCCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000331906833 457271057 /nfs/dbraw/zinc/27/10/57/457271057.db2.gz MLZJAAPSUSGXHW-CQSZACIVSA-N 0 1 347.396 3.433 20 5 EGBDMN O=[N+]([O-])c1ccc(CNCc2ccnn2-c2ccc(F)cc2)cc1 ZINC000354548687 457282986 /nfs/dbraw/zinc/28/29/86/457282986.db2.gz VGDBCGGBRVZIQB-UHFFFAOYSA-N 0 1 326.331 3.209 20 5 EGBDMN Cc1csc([C@@H]2CCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)n1 ZINC000332289118 457342996 /nfs/dbraw/zinc/34/29/96/457342996.db2.gz JECWYJQICCAMDK-LLVKDONJSA-N 0 1 347.396 3.085 20 5 EGBDMN O=C(NC1(Cc2ccccc2)CCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000357341643 457461131 /nfs/dbraw/zinc/46/11/31/457461131.db2.gz HQTBDGHNEHIHNU-UHFFFAOYSA-N 0 1 326.352 3.196 20 5 EGBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000363946339 457465412 /nfs/dbraw/zinc/46/54/12/457465412.db2.gz MWLMFVRSNKTYQH-YRBFXIGRSA-N 0 1 334.416 3.233 20 5 EGBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000363946339 457465414 /nfs/dbraw/zinc/46/54/14/457465414.db2.gz MWLMFVRSNKTYQH-YRBFXIGRSA-N 0 1 334.416 3.233 20 5 EGBDMN CSc1ccc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000342785177 457525819 /nfs/dbraw/zinc/52/58/19/457525819.db2.gz SFOKINDQDLPYPM-UHFFFAOYSA-N 0 1 338.410 3.426 20 5 EGBDMN CC(C)c1ccc(CN2CCOC3(CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000364239249 457540737 /nfs/dbraw/zinc/54/07/37/457540737.db2.gz UADFYWWPNVAJLA-UHFFFAOYSA-N 0 1 348.443 3.490 20 5 EGBDMN CCc1cnccc1[C@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000361136601 457605761 /nfs/dbraw/zinc/60/57/61/457605761.db2.gz RBIFOLRKBYQUNA-ZDUSSCGKSA-N 0 1 342.399 3.150 20 5 EGBDMN C[C@@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H](C)CN1C ZINC000361165485 457624275 /nfs/dbraw/zinc/62/42/75/457624275.db2.gz JNPBQVAHZIKGKI-CHWSQXEVSA-N 0 1 346.456 3.243 20 5 EGBDMN C[C@@H]1CN(C)[C@@H](C)CN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000361165487 457625227 /nfs/dbraw/zinc/62/52/27/457625227.db2.gz JNPBQVAHZIKGKI-QWHCGFSZSA-N 0 1 346.456 3.243 20 5 EGBDMN C[C@H](CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000410225892 457635121 /nfs/dbraw/zinc/63/51/21/457635121.db2.gz VVIOCHYSHPSQHU-GFCCVEGCSA-N 0 1 338.367 3.395 20 5 EGBDMN Cc1cc(CN(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)ccc1F ZINC000444447422 457898642 /nfs/dbraw/zinc/89/86/42/457898642.db2.gz VRURSGOEOUGTLU-UHFFFAOYSA-N 0 1 342.330 3.191 20 5 EGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC2(CCCC2)C1 ZINC000445868816 458106536 /nfs/dbraw/zinc/10/65/36/458106536.db2.gz KGVSXPRTHDTRNJ-UHFFFAOYSA-N 0 1 331.416 3.498 20 5 EGBDMN COc1cccc2c(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n[nH]c21 ZINC000362365537 458127850 /nfs/dbraw/zinc/12/78/50/458127850.db2.gz OIVOQWYQSBJWDR-UHFFFAOYSA-N 0 1 326.312 3.040 20 5 EGBDMN COc1cccc2c(C(=O)Nc3cc([N+](=O)[O-])ccc3C)n[nH]c21 ZINC000362374968 458133567 /nfs/dbraw/zinc/13/35/67/458133567.db2.gz ZQAWIXFNDBCONM-UHFFFAOYSA-N 0 1 326.312 3.040 20 5 EGBDMN CCC(=O)c1ccc(O)c(NC(=O)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000436652301 458353768 /nfs/dbraw/zinc/35/37/68/458353768.db2.gz LUDGNIWUVXRRPF-UHFFFAOYSA-N 0 1 342.351 3.464 20 5 EGBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)N(CC)C[C@H]1C ZINC000462607151 458634489 /nfs/dbraw/zinc/63/44/89/458634489.db2.gz NJTBZJFSVLGPHY-BFYDXBDKSA-N 0 1 347.459 3.105 20 5 EGBDMN CC[C@H](C)N1CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 ZINC000456524117 458701426 /nfs/dbraw/zinc/70/14/26/458701426.db2.gz GJDKQYCPWDNLTC-AWEZNQCLSA-N 0 1 333.432 3.076 20 5 EGBDMN O=[N+]([O-])c1cccc(Cl)c1CN[C@H](c1nnc[nH]1)c1ccccc1 ZINC000439448576 458702892 /nfs/dbraw/zinc/70/28/92/458702892.db2.gz GYZWGXGOXYAWCB-HNNXBMFYSA-N 0 1 343.774 3.246 20 5 EGBDMN O=[N+]([O-])c1cnn(CCNCc2ccc(F)c(Cl)c2Cl)c1 ZINC000432257463 458705873 /nfs/dbraw/zinc/70/58/73/458705873.db2.gz WGJZHRSGUDAHOJ-UHFFFAOYSA-N 0 1 333.150 3.027 20 5 EGBDMN C[C@@H]1CN(CCCNc2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000432324407 458715542 /nfs/dbraw/zinc/71/55/42/458715542.db2.gz IARZUZIHVPTMTD-TXEJJXNPSA-N 0 1 327.812 3.159 20 5 EGBDMN O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000475825905 458967408 /nfs/dbraw/zinc/96/74/08/458967408.db2.gz MXIOCDLUCFBSDG-UHFFFAOYSA-N 0 1 348.714 3.327 20 5 EGBDMN O=C([O-])c1occc1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000566807678 459004338 /nfs/dbraw/zinc/00/43/38/459004338.db2.gz GBKYCCLJZRUBGZ-ZDUSSCGKSA-N 0 1 330.340 3.266 20 5 EGBDMN COCC(=O)Nc1cccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000532197095 459044859 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O=[N+]([O-])c1ccc(N[C@H]2CCN([C@@H]3C[C@H]3c3cccc(F)c3)C2)nc1 ZINC000411372983 457868121 /nfs/dbraw/zinc/86/81/21/457868121.db2.gz GSKPIAVIEBHHRP-BHYGNILZSA-N 0 1 342.374 3.171 20 5 EGBDMN CCOc1ccc(CN(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1 ZINC000433867590 457902396 /nfs/dbraw/zinc/90/23/96/457902396.db2.gz JKYPONMZINARRR-UHFFFAOYSA-N 0 1 346.387 3.112 20 5 EGBDMN CC1(C)CCCN(CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000444618681 457920502 /nfs/dbraw/zinc/92/05/02/457920502.db2.gz OTLNUFZFYDZWSB-UHFFFAOYSA-N 0 1 345.399 3.193 20 5 EGBDMN COc1ccc(CC[C@@H](C)NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000428014270 458066210 /nfs/dbraw/zinc/06/62/10/458066210.db2.gz NCVZZTZVKXCXPM-GFCCVEGCSA-N 0 1 344.367 3.060 20 5 EGBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](c2nccn2C)C1 ZINC000373113177 458400489 /nfs/dbraw/zinc/40/04/89/458400489.db2.gz SGKMQKLTVWTGEY-AWEZNQCLSA-N 0 1 344.415 3.107 20 5 EGBDMN CCc1[nH]nc(C(=O)N2CCC[C@H]2/C=C/c2ccccc2)c1[N+](=O)[O-] ZINC000373118471 458402811 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20 5 EGBDMN Cc1ccnc([N+](=O)[O-])c1O[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001233551681 1376666742 /nfs/dbraw/zinc/66/67/42/1376666742.db2.gz RCZNSNGUOJLLFG-INIZCTEOSA-N 0 1 327.384 3.342 20 5 EGBDMN CC(C)c1cccc(C(=O)NCCNCc2csc([N+](=O)[O-])c2)c1 ZINC001146622886 1378879184 /nfs/dbraw/zinc/87/91/84/1378879184.db2.gz CRYQEUKVCQADLS-UHFFFAOYSA-N 0 1 347.440 3.299 20 5 EGBDMN C/C=C(/C)C(=O)NCCC1=CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001159751885 1381888403 /nfs/dbraw/zinc/88/84/03/1381888403.db2.gz BTODLPUTQGFPAF-CQPUUCJISA-N 0 1 343.427 3.199 20 5 EGBDMN O=[N+]([O-])c1cc2c(nc1N[C@H]1CNCc3ccsc31)CCCC2 ZINC001163221230 1382996773 /nfs/dbraw/zinc/99/67/73/1382996773.db2.gz OUYAVECIXSTUMN-ZDUSSCGKSA-N 0 1 330.413 3.187 20 5 EGBDMN CCOC(=O)c1cccc([N+](=O)[O-])c1N[C@@H]1CNCc2ccsc21 ZINC001163227975 1382999610 /nfs/dbraw/zinc/99/96/10/1382999610.db2.gz GCRUJFJTDPCREQ-GFCCVEGCSA-N 0 1 347.396 3.089 20 5 EGBDMN O=[N+]([O-])C[C@H]1CC[C@H](N2Cc3cnc(-c4ccc(F)cc4)nc3C2)C1 ZINC001169046954 1384100288 /nfs/dbraw/zinc/10/02/88/1384100288.db2.gz PDDQJWBZRAOLNU-LRDDRELGSA-N 0 1 342.374 3.044 20 5 EGBDMN C[C@@H](N[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ncc(F)cn1 ZINC001172903694 1384874977 /nfs/dbraw/zinc/87/49/77/1384874977.db2.gz SPEWYODDBRZSQL-ABAIWWIYSA-N 0 1 330.363 3.122 20 5 EGBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N(C)Cc2cccnc2)c1F ZINC001173186724 1384933410 /nfs/dbraw/zinc/93/34/10/1384933410.db2.gz SVIRMSBZPRTQIY-LBPRGKRZSA-N 0 1 333.363 3.201 20 5 EGBDMN CS[C@@H]1CC[C@H](N(C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC001319327419 1386060549 /nfs/dbraw/zinc/06/05/49/1386060549.db2.gz YGNNMAVDSWADAC-GXTWGEPZSA-N 0 1 337.445 3.058 20 5 EGBDMN C[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC001338536315 1389702723 /nfs/dbraw/zinc/70/27/23/1389702723.db2.gz SJSXJAQAXMQTQS-NSHDSACASA-N 0 1 348.790 3.323 20 5 EGBDMN O=[N+]([O-])c1ncccc1CN1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001333467755 1390311700 /nfs/dbraw/zinc/31/17/00/1390311700.db2.gz RTFWLUHVKUOQFT-CYBMUJFWSA-N 0 1 337.383 3.246 20 5 EGBDMN CC(C)(C)C(=O)NCC1(C)CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001754721701 1440673441 /nfs/dbraw/zinc/67/34/41/1440673441.db2.gz XPJPILRSQYLIJD-UHFFFAOYSA-N 0 1 347.459 3.359 20 5 EGBDMN C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[C@@H]1C(=O)[O-] ZINC001603461566 973302314 /nfs/dbraw/zinc/30/23/14/973302314.db2.gz QVDIVQIGUSSYES-CABZTGNLSA-N 0 1 346.305 3.156 20 5 EGBDMN C[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@H]1CCc2ccccc2C1 ZINC000846248095 979423480 /nfs/dbraw/zinc/42/34/80/979423480.db2.gz ZSZFMSUJRNZSAS-KRWDZBQOSA-N 0 1 340.379 3.282 20 5 EGBDMN C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1CC(=O)[O-] ZINC000902557561 980932161 /nfs/dbraw/zinc/93/21/61/980932161.db2.gz FZTPIROWTIBEOQ-MWLCHTKSSA-N 0 1 346.305 3.156 20 5 EGBDMN C[C@H](CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000917065038 982678697 /nfs/dbraw/zinc/67/86/97/982678697.db2.gz QZPMJPSUSOAWKC-TXKQXAOOSA-N 0 1 347.415 3.367 20 5 EGBDMN CC(C)CC[N@@H+](Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)C1CC1 ZINC001591245529 992137452 /nfs/dbraw/zinc/13/74/52/992137452.db2.gz URIUMCKYXZNVHO-UHFFFAOYSA-N 0 1 336.388 3.069 20 5 EGBDMN C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(C(=O)[O-])cc1F ZINC001598501747 992444326 /nfs/dbraw/zinc/44/43/26/992444326.db2.gz DAOBPFRFGYHLHK-UHFFFAOYSA-N 0 1 332.331 3.107 20 5 EGBDMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001594169016 998651874 /nfs/dbraw/zinc/65/18/74/998651874.db2.gz YZEFQZRLDJWUDK-IINYFYTJSA-N 0 1 347.396 3.013 20 5 EGBDMN Cc1ccc([C@@H](C)NCC(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000181817674 234336149 /nfs/dbraw/zinc/33/61/49/234336149.db2.gz HYIQMCCBEJBZMZ-CXOJTPOUSA-N 0 1 333.432 3.249 20 5 EGBDMN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000266198487 248166906 /nfs/dbraw/zinc/16/69/06/248166906.db2.gz VRULXGIDZKDIDE-CQSZACIVSA-N 0 1 330.388 3.028 20 5 EGBDMN Cc1nc(C[C@H]2CCCN([C@H](C)c3ccccc3[N+](=O)[O-])C2)no1 ZINC000266522377 248343769 /nfs/dbraw/zinc/34/37/69/248343769.db2.gz IVJMWXINGHYIKQ-TZMCWYRMSA-N 0 1 330.388 3.302 20 5 EGBDMN O=C(C=Cc1ccccc1[N+](=O)[O-])Nc1ccccc1-c1nnc[nH]1 ZINC000378259281 169092912 /nfs/dbraw/zinc/09/29/12/169092912.db2.gz IUACSMCEHHXSEX-MDZDMXLPSA-N 0 1 335.323 3.032 20 5 EGBDMN COc1ccc(OCCN(C)[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000091703902 218050827 /nfs/dbraw/zinc/05/08/27/218050827.db2.gz WJIIVYFVVXYYDR-ZDUSSCGKSA-N 0 1 331.372 3.070 20 5 EGBDMN CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@H]1CCC[C@@H]1O ZINC000091898731 218085595 /nfs/dbraw/zinc/08/55/95/218085595.db2.gz MKKNKHPPZJYPAK-CJNGLKHVSA-N 0 1 347.440 3.311 20 5 EGBDMN COc1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000267414373 251037587 /nfs/dbraw/zinc/03/75/87/251037587.db2.gz IZNFFEKUKCVFKL-NSHDSACASA-N 0 1 331.328 3.362 20 5 EGBDMN C[C@@H](N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178640672 533502791 /nfs/dbraw/zinc/50/27/91/533502791.db2.gz FMLCYNAGUJYOGS-OLZOCXBDSA-N 0 1 348.424 3.410 20 5 EGBDMN CCCCc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2[nH]1 ZINC000344466254 141158839 /nfs/dbraw/zinc/15/88/39/141158839.db2.gz PUOXPGRCFUDXPU-UHFFFAOYSA-N 0 1 327.344 3.394 20 5 EGBDMN Cc1nccn1-c1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000173334973 144039830 /nfs/dbraw/zinc/03/98/30/144039830.db2.gz ZXJIOWYUYNLYNJ-ZDUSSCGKSA-N 0 1 337.383 3.335 20 5 EGBDMN O=[N+]([O-])c1ccc(-c2noc(CN3CCC4(CCCC4)C3)n2)cc1 ZINC000173830733 144049327 /nfs/dbraw/zinc/04/93/27/144049327.db2.gz IVMKMJVZFMGRAK-UHFFFAOYSA-N 0 1 328.372 3.411 20 5 EGBDMN CC(=O)c1ccc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cc1 ZINC000174987529 144055457 /nfs/dbraw/zinc/05/54/57/144055457.db2.gz HVTULKJMCKBPOZ-UHFFFAOYSA-N 0 1 348.380 3.215 20 5 EGBDMN C[C@@H](N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178651021 144073864 /nfs/dbraw/zinc/07/38/64/144073864.db2.gz BIVKTKVCJXHFNZ-HIFRSBDPSA-N 0 1 325.368 3.051 20 5 EGBDMN C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1COc2ccccc21 ZINC000185578608 144115167 /nfs/dbraw/zinc/11/51/67/144115167.db2.gz COPJJTXLFCLKLY-RISCZKNCSA-N 0 1 339.351 3.390 20 5 EGBDMN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1cc(Cl)ccc1Cl ZINC000186761791 144142925 /nfs/dbraw/zinc/14/29/25/144142925.db2.gz IYFVPBOMXBYTOX-VIFPVBQESA-N 0 1 329.187 3.449 20 5 EGBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCO[C@@H](CCc2ccccc2)C1 ZINC000351579430 144282906 /nfs/dbraw/zinc/28/29/06/144282906.db2.gz JABPZECCAWTOHS-SFHVURJKSA-N 0 1 342.395 3.134 20 5 EGBDMN CCOC(=O)C[C@](C)(NCc1c(F)cc([N+](=O)[O-])cc1F)C(C)C ZINC000351813733 144309839 /nfs/dbraw/zinc/30/98/39/144309839.db2.gz IHJDQCZDECAGFL-INIZCTEOSA-N 0 1 344.358 3.331 20 5 EGBDMN O=[N+]([O-])c1ccc(OCCN2Cc3ccc(O)cc3C3(CC3)C2)cc1 ZINC000361571046 144330159 /nfs/dbraw/zinc/33/01/59/144330159.db2.gz ZLFKVGMKLNPPGB-UHFFFAOYSA-N 0 1 340.379 3.227 20 5 EGBDMN C[C@@H](c1cccc(F)c1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118865901 152158922 /nfs/dbraw/zinc/15/89/22/152158922.db2.gz JNSVTQYOFWDMGD-WFASDCNBSA-N 0 1 330.363 3.376 20 5 EGBDMN CC(C)(C)CCCN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000339736167 154949958 /nfs/dbraw/zinc/94/99/58/154949958.db2.gz CDJCKOBMKBUITF-UHFFFAOYSA-N 0 1 333.432 3.179 20 5 EGBDMN O=C(C=Cc1cccc([N+](=O)[O-])c1)Nc1cccc(-c2nnc[nH]2)c1 ZINC000114106970 162222408 /nfs/dbraw/zinc/22/24/08/162222408.db2.gz ISTAPTNNJLRANE-BQYQJAHWSA-N 0 1 335.323 3.032 20 5 EGBDMN Cc1cccc(CN(C)[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000344414060 164173707 /nfs/dbraw/zinc/17/37/07/164173707.db2.gz ZAIILJQQTDHAOF-SFHVURJKSA-N 0 1 339.395 3.141 20 5 EGBDMN Cc1cccc(CN(C)[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000344414057 164173724 /nfs/dbraw/zinc/17/37/24/164173724.db2.gz ZAIILJQQTDHAOF-GOSISDBHSA-N 0 1 339.395 3.141 20 5 EGBDMN COc1cc(CN2CCC[C@@H](c3nccs3)C2)ccc1[N+](=O)[O-] ZINC000352407550 165384669 /nfs/dbraw/zinc/38/46/69/165384669.db2.gz VGRJJDBFNKLPAG-CYBMUJFWSA-N 0 1 333.413 3.440 20 5 EGBDMN COCCOc1ccccc1CNCc1cccc([N+](=O)[O-])c1C ZINC000359806911 167237999 /nfs/dbraw/zinc/23/79/99/167237999.db2.gz QAFZWSQZCSOHLC-UHFFFAOYSA-N 0 1 330.384 3.218 20 5 EGBDMN CCN(C)[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000360514007 167346096 /nfs/dbraw/zinc/34/60/96/167346096.db2.gz FFUWVGIPLRUKTO-GOSISDBHSA-N 0 1 341.411 3.212 20 5 EGBDMN CCCc1[nH]nc(C(=O)N(C)Cc2cc3ccccc3o2)c1[N+](=O)[O-] ZINC000174690623 265066164 /nfs/dbraw/zinc/06/61/64/265066164.db2.gz JXDGKNKCVORUIS-UHFFFAOYSA-N 0 1 342.355 3.289 20 5 EGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N(CCc1ccc(F)cc1)C1CC1 ZINC000272709547 266902866 /nfs/dbraw/zinc/90/28/66/266902866.db2.gz XDJXGFZBSOBOGX-UHFFFAOYSA-N 0 1 344.342 3.287 20 5 EGBDMN CC[C@@H](C)c1nc([C@@H](C)NCc2ccc(OC)c([N+](=O)[O-])c2)n[nH]1 ZINC000277413753 267785157 /nfs/dbraw/zinc/78/51/57/267785157.db2.gz LVSKLCLAJCVYDQ-GHMZBOCLSA-N 0 1 333.392 3.086 20 5 EGBDMN C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H](C)N1C ZINC000339615572 274586791 /nfs/dbraw/zinc/58/67/91/274586791.db2.gz KGJJAPSDTHEBHH-QWRGUYRKSA-N 0 1 331.338 3.138 20 5 EGBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1cccc3c1OCO3)CCC2 ZINC000192713192 275038459 /nfs/dbraw/zinc/03/84/59/275038459.db2.gz RKPSPSSGXBZJTG-MRXNPFEDSA-N 0 1 326.352 3.491 20 5 EGBDMN CCC[C@@H](NCc1ccc(C)n(C)c1=O)c1cccc([N+](=O)[O-])c1 ZINC000279508549 275336053 /nfs/dbraw/zinc/33/60/53/275336053.db2.gz NIHURCJBOLYBNL-QGZVFWFLSA-N 0 1 329.400 3.233 20 5 EGBDMN CC1(C)CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCS1 ZINC000279645994 275346462 /nfs/dbraw/zinc/34/64/62/275346462.db2.gz AUSHCGWURGGTMD-UHFFFAOYSA-N 0 1 348.428 3.362 20 5 EGBDMN COCCOc1ccccc1CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283998508 275766832 /nfs/dbraw/zinc/76/68/32/275766832.db2.gz HSLNLAJFPWUMRY-ZDUSSCGKSA-N 0 1 345.399 3.053 20 5 EGBDMN CCN(CC)[C@@H](CNC(=O)c1c(C)cccc1[N+](=O)[O-])c1ccco1 ZINC000194494534 276113690 /nfs/dbraw/zinc/11/36/90/276113690.db2.gz SDMNYFXYCZZABB-HNNXBMFYSA-N 0 1 345.399 3.309 20 5 EGBDMN CCC[C@@]1(CO)CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000289098443 276290419 /nfs/dbraw/zinc/29/04/19/276290419.db2.gz PHHREEQTUHEYDT-GOSISDBHSA-N 0 1 329.400 3.440 20 5 EGBDMN COC(=O)[C@H](C)[C@H](NCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000079922435 307430040 /nfs/dbraw/zinc/43/00/40/307430040.db2.gz KOYWDGQLCJIVLU-DYVFJYSZSA-N 0 1 328.368 3.235 20 5 EGBDMN Cn1ccnc1[C@@H](NCC1CC(F)(F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000293893469 308171718 /nfs/dbraw/zinc/17/17/18/308171718.db2.gz ZGCMQVZMWDOCBP-AWEZNQCLSA-N 0 1 336.342 3.053 20 5 EGBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000295415050 308324563 /nfs/dbraw/zinc/32/45/63/308324563.db2.gz VMQCGNVSYBJXJE-GUYCJALGSA-N 0 1 340.383 3.390 20 5 EGBDMN C[C@H]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C[C@H]1C ZINC000295670787 308349127 /nfs/dbraw/zinc/34/91/27/308349127.db2.gz KAVAHAGKZRGRQL-NWDGAFQWSA-N 0 1 328.372 3.103 20 5 EGBDMN COc1ccccc1[C@H](CNc1nccc(C)c1[N+](=O)[O-])N(C)C ZINC000301290737 308695159 /nfs/dbraw/zinc/69/51/59/308695159.db2.gz NKRWVBAVZRTNPL-AWEZNQCLSA-N 0 1 330.388 3.022 20 5 EGBDMN Cc1ccc([C@@H](C)NCC(=O)NC2CCCCCC2)cc1[N+](=O)[O-] ZINC000331549458 308810159 /nfs/dbraw/zinc/81/01/59/308810159.db2.gz ROGULONNGDPGIK-CQSZACIVSA-N 0 1 333.432 3.393 20 5 EGBDMN CCc1cnc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000331590886 308811284 /nfs/dbraw/zinc/81/12/84/308811284.db2.gz KQWSZNBSSLJHFT-QWHCGFSZSA-N 0 1 335.433 3.084 20 5 EGBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1Cc2ccccc2[C@@H]1OC ZINC000411886375 308956577 /nfs/dbraw/zinc/95/65/77/308956577.db2.gz LHXDAROBFCBRNL-AEFFLSMTSA-N 0 1 328.368 3.005 20 5 EGBDMN Cc1nc2cc(NCc3cccc([N+](=O)[O-])c3)ccc2n1[C@H](C)CO ZINC000419770376 309271763 /nfs/dbraw/zinc/27/17/63/309271763.db2.gz WXQZAHNTYDXVKX-GFCCVEGCSA-N 0 1 340.383 3.418 20 5 EGBDMN COC(=O)c1cnc([C@H](C)N[C@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000424326599 309438962 /nfs/dbraw/zinc/43/89/62/309438962.db2.gz MELIKOVCXSGAFJ-MNOVXSKESA-N 0 1 349.412 3.120 20 5 EGBDMN C[NH+](C)Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])ccc1Cl ZINC000436781515 309773848 /nfs/dbraw/zinc/77/38/48/309773848.db2.gz JYSFNRQTAWVWNH-UHFFFAOYSA-N 0 1 349.774 3.268 20 5 EGBDMN NC(=O)[C@@H](c1ccccc1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543754 310184656 /nfs/dbraw/zinc/18/46/56/310184656.db2.gz CMUDPALWEMIAKA-SJLPKXTDSA-N 0 1 339.395 3.001 20 5 EGBDMN C[C@@H]1CCCN(C(=O)CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000451559581 310186389 /nfs/dbraw/zinc/18/63/89/310186389.db2.gz HHENQPSHHWIUSW-NVXWUHKLSA-N 0 1 345.443 3.033 20 5 EGBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[C@@H](CCCO)C2)c1 ZINC000452124797 310213622 /nfs/dbraw/zinc/21/36/22/310213622.db2.gz RQIDOBAHKPYWHI-LLVKDONJSA-N 0 1 332.322 3.208 20 5 EGBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(Cc2ccccc2)CC1 ZINC000487243086 311017698 /nfs/dbraw/zinc/01/76/98/311017698.db2.gz ZZPRWTFYKICWBS-INIZCTEOSA-N 0 1 325.412 3.474 20 5 EGBDMN Cc1nc(SCc2c([N+](=O)[O-])ncn2C)[nH]c1-c1ccccc1 ZINC000488262284 311058532 /nfs/dbraw/zinc/05/85/32/311058532.db2.gz HTNNEBVBLXAITR-UHFFFAOYSA-N 0 1 329.385 3.319 20 5 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0 1 326.312 3.027 20 5 EGBDMN CC[C@@H](C(=O)OCc1c(F)cc([N+](=O)[O-])cc1F)N(CC)CC ZINC000803362856 1317113914 /nfs/dbraw/zinc/11/39/14/1317113914.db2.gz SQNCYULUHXAPMF-AWEZNQCLSA-N 0 1 330.331 3.037 20 5 EGBDMN CN(C)[C@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])c1ccsc1 ZINC000804345915 1317221463 /nfs/dbraw/zinc/22/14/63/1317221463.db2.gz UEJXHNJSAJGRDQ-CYBMUJFWSA-N 0 1 336.373 3.279 20 5 EGBDMN C[C@@H](N[C@@H](C)CS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000903287248 1317683034 /nfs/dbraw/zinc/68/30/34/1317683034.db2.gz LXHGCQMVIBLRMR-UONOGXRCSA-N 0 1 348.424 3.108 20 5 EGBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)n1cc(CN(C)C(C)(C)C)nn1 ZINC000905812011 1318003896 /nfs/dbraw/zinc/00/38/96/1318003896.db2.gz RWSXLDCWCWGWRS-CYBMUJFWSA-N 0 1 331.420 3.334 20 5 EGBDMN C[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(F)cc1 ZINC000905853541 1318008097 /nfs/dbraw/zinc/00/80/97/1318008097.db2.gz SOOVMIACLQHXGV-CHWSQXEVSA-N 0 1 345.374 3.089 20 5 EGBDMN COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000905853540 1318008934 /nfs/dbraw/zinc/00/89/34/1318008934.db2.gz SNNYZDNKUOHWPT-OLZOCXBDSA-N 0 1 343.383 3.281 20 5 EGBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCCOC[C@@H]1CCCO1 ZINC000811481355 1318182613 /nfs/dbraw/zinc/18/26/13/1318182613.db2.gz YFSPFGUDFZWCRN-LBPRGKRZSA-N 0 1 349.214 3.187 20 5 EGBDMN CCO[C@@H]1C[C@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@H]1OC ZINC000811491115 1318185118 /nfs/dbraw/zinc/18/51/18/1318185118.db2.gz ZOGFRLXCAFUGSX-OUCADQQQSA-N 0 1 349.214 3.184 20 5 EGBDMN CN(C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1CCCN(C)C1 ZINC000813025557 1318489414 /nfs/dbraw/zinc/48/94/14/1318489414.db2.gz UWIZOKGBFLBLCZ-JTQLQIEISA-N 0 1 346.214 3.068 20 5 EGBDMN Cc1cc(NC[C@H]2CCC[N@H+](C(C)C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000910351485 1318614289 /nfs/dbraw/zinc/61/42/89/1318614289.db2.gz GRGUAYXXQHNYAB-CYBMUJFWSA-N 0 1 335.404 3.134 20 5 EGBDMN O=C([O-])Cc1ccc(N[C@@H]2CC[N@H+](C3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000910362458 1318617445 /nfs/dbraw/zinc/61/74/45/1318617445.db2.gz DWYZKUCXMXHAGP-CQSZACIVSA-N 0 1 347.415 3.041 20 5 EGBDMN CCCCn1cc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c(C)n1 ZINC000815600179 1319024631 /nfs/dbraw/zinc/02/46/31/1319024631.db2.gz NJTORZNVTUVIIK-LBPRGKRZSA-N 0 1 331.420 3.333 20 5 EGBDMN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H]2COc3ccc(Cl)cc32)c1 ZINC000819161361 1319652855 /nfs/dbraw/zinc/65/28/55/1319652855.db2.gz FSRGLEXZDMXWEQ-CABCVRRESA-N 0 1 334.759 3.005 20 5 EGBDMN O=C(OCc1nc(-c2ccccc2)cs1)c1ccc([N+](=O)[O-])[nH]1 ZINC000917950324 1319891725 /nfs/dbraw/zinc/89/17/25/1319891725.db2.gz BKVCHFUMEWLPNP-UHFFFAOYSA-N 0 1 329.337 3.403 20 5 EGBDMN Cc1cc(C)n(-c2ccc(COC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)n1 ZINC000918497979 1319958733 /nfs/dbraw/zinc/95/87/33/1319958733.db2.gz ISMACIMHGGAAER-UHFFFAOYSA-N 0 1 340.339 3.082 20 5 EGBDMN Cn1cc([C@H]2CN(Cc3cc(F)ccc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000821337489 1320007671 /nfs/dbraw/zinc/00/76/71/1320007671.db2.gz VLTLCVAZKRKZFH-OAHLLOKOSA-N 0 1 332.379 3.093 20 5 EGBDMN Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCc3cn[nH]c32)cc1Cl ZINC000836776807 1320532769 /nfs/dbraw/zinc/53/27/69/1320532769.db2.gz GKSFBLGNBIOQTF-GFCCVEGCSA-N 0 1 334.763 3.087 20 5 EGBDMN CN(CCC1CN(C(=O)OC(C)(C)C)C1)Cc1ccccc1[N+](=O)[O-] ZINC000859057950 1328915915 /nfs/dbraw/zinc/91/59/15/1328915915.db2.gz NCCASKYEEIFVDI-UHFFFAOYSA-N 0 1 349.431 3.284 20 5 EGBDMN CC(C)(C)OC(=O)[C@]1(C)CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000839105303 1320871375 /nfs/dbraw/zinc/87/13/75/1320871375.db2.gz QNGPXCJVMAKDTA-QGZVFWFLSA-N 0 1 338.379 3.288 20 5 EGBDMN CC[C@H](CSC)N(C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839534989 1320934504 /nfs/dbraw/zinc/93/45/04/1320934504.db2.gz FLKXSQQPJXHHLO-LLVKDONJSA-N 0 1 345.852 3.260 20 5 EGBDMN Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839661083 1320954117 /nfs/dbraw/zinc/95/41/17/1320954117.db2.gz SBIXAYBREBRSPE-BZHVJNSISA-N 0 1 349.387 3.100 20 5 EGBDMN O=C(NC1(c2cc(C(F)(F)F)ccc2Cl)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839733432 1320970372 /nfs/dbraw/zinc/97/03/72/1320970372.db2.gz KUJOFTURDUGMAK-LDYMZIIASA-N 0 1 348.708 3.129 20 5 EGBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc(OCc2ccccc2)c1 ZINC000839739110 1320971496 /nfs/dbraw/zinc/97/14/96/1320971496.db2.gz GESILFHAGMJOJZ-MORSLUCNSA-N 0 1 340.379 3.108 20 5 EGBDMN CO[C@@H]1C[C@@H](N(C)Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C12CCC2 ZINC000840144430 1321038332 /nfs/dbraw/zinc/03/83/32/1321038332.db2.gz YYAJSIXDZUEEKN-IAGOWNOFSA-N 0 1 344.415 3.100 20 5 EGBDMN CC(C)(c1ccccc1)[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(F)(F)F ZINC000842332766 1321373705 /nfs/dbraw/zinc/37/37/05/1321373705.db2.gz ZYXKQMXENDKZNA-WZRBSPASSA-N 0 1 331.290 3.104 20 5 EGBDMN CCN(CC)Cc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)o1 ZINC000843027638 1321458676 /nfs/dbraw/zinc/45/86/76/1321458676.db2.gz KUZGVCBXIJYVCP-UHFFFAOYSA-N 0 1 335.335 3.421 20 5 EGBDMN CSc1ccc(C(=O)OCc2cc(C3CC3)[nH]n2)cc1[N+](=O)[O-] ZINC000848015623 1321922958 /nfs/dbraw/zinc/92/29/58/1321922958.db2.gz CATRBAHHOCHTPZ-UHFFFAOYSA-N 0 1 333.369 3.274 20 5 EGBDMN COc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(O)c(Cl)c1 ZINC000848950631 1322051184 /nfs/dbraw/zinc/05/11/84/1322051184.db2.gz LKXNKFIBPLKERW-UHFFFAOYSA-N 0 1 337.715 3.319 20 5 EGBDMN CN(CCc1cccs1)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853500237 1325105374 /nfs/dbraw/zinc/10/53/74/1325105374.db2.gz PPUDJJZMRXMTKM-UHFFFAOYSA-N 0 1 343.412 3.047 20 5 EGBDMN COc1cc(CNc2cccc3oc(C)nc32)cc([N+](=O)[O-])c1O ZINC000864014075 1329593756 /nfs/dbraw/zinc/59/37/56/1329593756.db2.gz GBDGGTCCJLBVGR-UHFFFAOYSA-N 0 1 329.312 3.371 20 5 EGBDMN Cc1cc(NCc2ccc3[nH]c(=O)[nH]c3c2)c2cc([N+](=O)[O-])ccc2n1 ZINC001323715079 1387427301 /nfs/dbraw/zinc/42/73/01/1387427301.db2.gz IGYWAEBFCXXXGB-UHFFFAOYSA-N 0 1 349.350 3.067 20 5 EGBDMN Cc1nc(Nc2ccc(O)c([N+](=O)[O-])c2)nc(C)c1Br ZINC001210393243 1372341773 /nfs/dbraw/zinc/34/17/73/1372341773.db2.gz WJXGDJOHVPVSTB-UHFFFAOYSA-N 0 1 339.149 3.213 20 5 EGBDMN O=[N+]([O-])c1cc(Nc2c(F)cccc2N2CCOCC2)ccc1O ZINC001210397551 1372342697 /nfs/dbraw/zinc/34/26/97/1372342697.db2.gz AMTSIMILIGTQEL-UHFFFAOYSA-N 0 1 333.319 3.020 20 5 EGBDMN Cc1ccc2nc(N)n(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)c2c1 ZINC001211292571 1372522859 /nfs/dbraw/zinc/52/28/59/1372522859.db2.gz NVBOOOXUZJBGRH-UHFFFAOYSA-N 0 1 327.300 3.041 20 5 EGBDMN COc1ccc(-c2noc(-c3ccc(O)cc3[N+](=O)[O-])n2)c(F)c1 ZINC001216891436 1373359506 /nfs/dbraw/zinc/35/95/06/1373359506.db2.gz SEMUUPFGLUKDOP-UHFFFAOYSA-N 0 1 331.259 3.165 20 5 EGBDMN CC/C=C(\C)C(=O)NC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001226361500 1375246055 /nfs/dbraw/zinc/24/60/55/1375246055.db2.gz PCYZLBQTUZXEFK-LHHJGKSTSA-N 0 1 331.416 3.032 20 5 EGBDMN CC[C@@H](Oc1nc(SC)[nH]c(=O)c1[N+](=O)[O-])c1ccccc1F ZINC001227629313 1375456677 /nfs/dbraw/zinc/45/66/77/1375456677.db2.gz UWQKLUBEYSMOMU-SNVBAGLBSA-N 0 1 339.348 3.482 20 5 EGBDMN COC(=O)c1cc([N+](=O)[O-])c(O[C@@H]2CCc3c2cccc3C)cc1O ZINC001228811146 1375684811 /nfs/dbraw/zinc/68/48/11/1375684811.db2.gz NJPQULOCIPCGER-MRXNPFEDSA-N 0 1 343.335 3.462 20 5 EGBDMN COC(=O)c1cc([N+](=O)[O-])c(OC2CCC(F)(F)CC2)cc1O ZINC001228810360 1375685148 /nfs/dbraw/zinc/68/51/48/1375685148.db2.gz JQWYVGYBKMPVNE-UHFFFAOYSA-N 0 1 331.271 3.044 20 5 EGBDMN C[C@@H](c1ccccn1)N1CC[C@@H](Oc2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001228937978 1375721605 /nfs/dbraw/zinc/72/16/05/1375721605.db2.gz LREHNBCSALOMQL-NWDGAFQWSA-N 0 1 348.790 3.253 20 5 EGBDMN CCCC1(C(=O)NC2CCN(Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001229102665 1375763905 /nfs/dbraw/zinc/76/39/05/1375763905.db2.gz JJVLUIQWDRAOIH-UHFFFAOYSA-N 0 1 345.443 3.256 20 5 EGBDMN COc1ccc2c(c1)nc(=O)[nH]c2O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001229138307 1375771856 /nfs/dbraw/zinc/77/18/56/1375771856.db2.gz WJAIBTONHDOYJY-SNVBAGLBSA-N 0 1 341.323 3.392 20 5 EGBDMN Cc1cc(C)c(C(=O)NCCNCc2csc([N+](=O)[O-])c2)c(C)c1 ZINC001150163489 1379506897 /nfs/dbraw/zinc/50/68/97/1379506897.db2.gz BOSGGPFKFYZETH-UHFFFAOYSA-N 0 1 347.440 3.101 20 5 EGBDMN CCCCCC(C)(C)C(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001151863338 1379802694 /nfs/dbraw/zinc/80/26/94/1379802694.db2.gz IAMMBDNOCLKFDF-UHFFFAOYSA-N 0 1 341.477 3.469 20 5 EGBDMN C/C=C(\C)C(=O)NCCC1=CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001159754052 1381890777 /nfs/dbraw/zinc/89/07/77/1381890777.db2.gz YAOAONOBTARKKV-CRKCGEKBSA-N 0 1 343.427 3.199 20 5 EGBDMN O=[N+]([O-])c1cccc2ccc(NCCN3CCC(F)(F)CC3)nc21 ZINC001160749301 1382185641 /nfs/dbraw/zinc/18/56/41/1382185641.db2.gz PGPOXZJXGNHQGU-UHFFFAOYSA-N 0 1 336.342 3.286 20 5 EGBDMN CN1CCN(c2cnc3cc([N+](=O)[O-])ccc3n2)[C@H](c2ccccc2)C1 ZINC001163669194 1383100320 /nfs/dbraw/zinc/10/03/20/1383100320.db2.gz JUHSYPXPOINSBX-SFHVURJKSA-N 0 1 349.394 3.031 20 5 EGBDMN CC(CC(=O)OC(C)C)=Nc1ccc(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001166747269 1383470631 /nfs/dbraw/zinc/47/06/31/1383470631.db2.gz BZUWEUVLQDPFJG-XFXZXTDPSA-N 0 1 342.355 3.319 20 5 EGBDMN CC[C@](N)(CO)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001170862629 1384400954 /nfs/dbraw/zinc/40/09/54/1384400954.db2.gz JVLNFDWXLDBFAV-MRXNPFEDSA-N 0 1 333.413 3.215 20 5 EGBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCc2nc(Cl)ncc2C1 ZINC001173227549 1384940260 /nfs/dbraw/zinc/94/02/60/1384940260.db2.gz QMSNSDCTKLERMD-NSHDSACASA-N 0 1 332.791 3.028 20 5 EGBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](Cc2ccccc2)C1 ZINC001173233326 1384941223 /nfs/dbraw/zinc/94/12/23/1384941223.db2.gz VJCVYHKFUICDTQ-JXFKEZNVSA-N 0 1 340.423 3.469 20 5 EGBDMN O=C(Nc1cc2cccnc2c2ncccc12)[C@@H]1CCc2[nH]cnc2C1 ZINC001177178939 1385847081 /nfs/dbraw/zinc/84/70/81/1385847081.db2.gz XXNCUTJKOJEQRK-CYBMUJFWSA-N 0 1 343.390 3.250 20 5 EGBDMN CS[C@H]1CC[C@@H](N(C)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC001318899439 1385874634 /nfs/dbraw/zinc/87/46/34/1385874634.db2.gz FDSIMGUFKVLYJJ-KGLIPLIRSA-N 0 1 347.444 3.027 20 5 EGBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2cc3ccccc3[nH]2)c1[N+](=O)[O-] ZINC001319300328 1386050697 /nfs/dbraw/zinc/05/06/97/1386050697.db2.gz UYNRKAKFTBMKAH-UHFFFAOYSA-N 0 1 341.371 3.195 20 5 EGBDMN O=[N+]([O-])c1ccc(Cc2nc([C@@H]3CN4CCC3CC4)no2)c(Cl)c1 ZINC001320495266 1386626642 /nfs/dbraw/zinc/62/66/42/1386626642.db2.gz HVCMXGPVINCZSG-CYBMUJFWSA-N 0 1 348.790 3.031 20 5 EGBDMN O=[N+]([O-])c1ccc2oc(CNCCCOCc3ccccc3)nc2c1 ZINC001330602591 1389467302 /nfs/dbraw/zinc/46/73/02/1389467302.db2.gz OXSGJLUSRSURCD-UHFFFAOYSA-N 0 1 341.367 3.433 20 5 EGBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](C)CC(=O)OC(C)(C)C ZINC001333320234 1390283474 /nfs/dbraw/zinc/28/34/74/1390283474.db2.gz CVCPNOBPFKVHCA-NEPJUHHUSA-N 0 1 338.404 3.374 20 5 EGBDMN C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cc(-c2nnn[n-]2)cs1 ZINC000824770035 1430054014 /nfs/dbraw/zinc/05/40/14/1430054014.db2.gz CSJGUEZKNXNUGL-SNVBAGLBSA-N 0 1 344.400 3.029 20 5 EGBDMN CCN(CCNC(=O)C1CC2(CCC2)C1)Cc1ccc([N+](=O)[O-])cc1 ZINC001753089729 1440298212 /nfs/dbraw/zinc/29/82/12/1440298212.db2.gz KNRXDFVYZQDKMC-UHFFFAOYSA-N 0 1 345.443 3.113 20 5 EGBDMN CCCC(=O)NCc1ccc(CNCc2ccccc2[N+](=O)[O-])cc1 ZINC001753588628 1440442105 /nfs/dbraw/zinc/44/21/05/1440442105.db2.gz UQKRFYYWPXZATC-UHFFFAOYSA-N 0 1 341.411 3.301 20 5 EGBDMN C[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H]1C(=O)[O-] ZINC001589334912 953985899 /nfs/dbraw/zinc/98/58/99/953985899.db2.gz VAXUNPYGKSAVJF-TVQRCGJNSA-N 0 1 346.305 3.299 20 5 EGBDMN C[C@@](CC(=O)[O-])([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccncc1 ZINC001592328243 977746112 /nfs/dbraw/zinc/74/61/12/977746112.db2.gz JONHURBQAMLXDM-INIZCTEOSA-N 0 1 349.774 3.123 20 5 EGBDMN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)NCc2ccccc2)cc1[N+](=O)[O-] ZINC000178679265 232369748 /nfs/dbraw/zinc/36/97/48/232369748.db2.gz NRPHBOVXNLUMHC-CABCVRRESA-N 0 1 341.411 3.259 20 5 EGBDMN Cc1ccc([C@@H](C)N[C@H](C)C(=O)NC2CCCCC2)cc1[N+](=O)[O-] ZINC000178690965 232383039 /nfs/dbraw/zinc/38/30/39/232383039.db2.gz UDUHVCJZAAFBRE-ZIAGYGMSSA-N 0 1 333.432 3.391 20 5 EGBDMN CCC(CC)N(CCOC)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000102950323 219243581 /nfs/dbraw/zinc/24/35/81/219243581.db2.gz VGAXKZRZIGWDBO-UHFFFAOYSA-N 0 1 348.403 3.282 20 5 EGBDMN C[C@H](N[C@@H]1CCN(c2ccccc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000068947969 215347531 /nfs/dbraw/zinc/34/75/31/215347531.db2.gz WSDAFDRKIIUDPW-SUMWQHHRSA-N 0 1 325.368 3.051 20 5 EGBDMN CCCC(=O)NC[C@H]1CCCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000092707621 218160530 /nfs/dbraw/zinc/16/05/30/218160530.db2.gz GRNAZQBYIJMJNW-MRXNPFEDSA-N 0 1 333.432 3.032 20 5 EGBDMN CC(=O)N(C)C1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000092538518 218148918 /nfs/dbraw/zinc/14/89/18/218148918.db2.gz ZBGUJFWRKZACRY-UHFFFAOYSA-N 0 1 333.432 3.161 20 5 EGBDMN CC(C)n1nccc1NC(=O)[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000112532102 220345642 /nfs/dbraw/zinc/34/56/42/220345642.db2.gz JVGIINIZBPOQCH-QWHCGFSZSA-N 0 1 345.403 3.050 20 5 EGBDMN Cc1ccc([C@H](C)NCC(=O)N(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000119093042 221242239 /nfs/dbraw/zinc/24/22/39/221242239.db2.gz JOKIERMTHYHEGC-HNNXBMFYSA-N 0 1 341.411 3.212 20 5 EGBDMN Cc1c(CNC(C)(C)C(=O)NCC2CCCC2)cccc1[N+](=O)[O-] ZINC000155145838 224366124 /nfs/dbraw/zinc/36/61/24/224366124.db2.gz YFNNJVACUAQODK-UHFFFAOYSA-N 0 1 333.432 3.078 20 5 EGBDMN Cn1cc(-c2ccc(CNCc3ccccc3[N+](=O)[O-])s2)cn1 ZINC000337826274 141063220 /nfs/dbraw/zinc/06/32/20/141063220.db2.gz SZWKJKFJYFIJTL-UHFFFAOYSA-N 0 1 328.397 3.347 20 5 EGBDMN Cc1nccn1-c1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000173334986 144039595 /nfs/dbraw/zinc/03/95/95/144039595.db2.gz ZXJIOWYUYNLYNJ-CYBMUJFWSA-N 0 1 337.383 3.335 20 5 EGBDMN C[C@H](N[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178650983 144073795 /nfs/dbraw/zinc/07/37/95/144073795.db2.gz BIVKTKVCJXHFNZ-DZGCQCFKSA-N 0 1 325.368 3.051 20 5 EGBDMN Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)cc1 ZINC000184966902 144101754 /nfs/dbraw/zinc/10/17/54/144101754.db2.gz HEJVIUVRATUSRL-UHFFFAOYSA-N 0 1 343.364 3.252 20 5 EGBDMN O=[N+]([O-])c1ccc(OCCN2CC[C@]3(C2)OCc2ccccc23)cc1 ZINC000186686742 144140937 /nfs/dbraw/zinc/14/09/37/144140937.db2.gz RAZRBOXQVBBIDB-LJQANCHMSA-N 0 1 340.379 3.105 20 5 EGBDMN 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Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccc(Cl)c1 ZINC000119606422 454207788 /nfs/dbraw/zinc/20/77/88/454207788.db2.gz HKPMXYQBOWETJG-UHFFFAOYSA-N 0 1 326.761 3.357 20 5 EGBDMN Cc1c(CN[C@H](C)c2ccc3c(c2)NC(=O)CO3)cccc1[N+](=O)[O-] ZINC000095984469 454250489 /nfs/dbraw/zinc/25/04/89/454250489.db2.gz IMDOWEAFPLYADE-GFCCVEGCSA-N 0 1 341.367 3.085 20 5 EGBDMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCN(C2CCCC2)CC1 ZINC000120042183 454251730 /nfs/dbraw/zinc/25/17/30/454251730.db2.gz AMCZWADSKYCFQX-UHFFFAOYSA-N 0 1 346.431 3.304 20 5 EGBDMN CCN(CC)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000078635889 454290268 /nfs/dbraw/zinc/29/02/68/454290268.db2.gz IWBJPDLRUFGWNE-NSHDSACASA-N 0 1 348.428 3.387 20 5 EGBDMN Cc1c([C@H](C)N[C@@H]2CCN(C3CCCCC3)C2=O)cccc1[N+](=O)[O-] ZINC000090464300 454309065 /nfs/dbraw/zinc/30/90/65/454309065.db2.gz MHZICRRFUNXZHO-WMLDXEAASA-N 0 1 345.443 3.487 20 5 EGBDMN COc1ccc(CN(C)Cc2ccccc2N(C)C)cc1[N+](=O)[O-] ZINC000072599770 454316072 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CCCc1nnc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])s1 ZINC000109740257 454835554 /nfs/dbraw/zinc/83/55/54/454835554.db2.gz CEKWUGGJYNSISO-UHFFFAOYSA-N 0 1 326.765 3.305 20 5 EGBDMN COc1cccc(C2(NCc3ccc(OC)c([N+](=O)[O-])c3)CC2)c1 ZINC000150886374 454907681 /nfs/dbraw/zinc/90/76/81/454907681.db2.gz PWYFEDQXQLHULT-UHFFFAOYSA-N 0 1 328.368 3.391 20 5 EGBDMN CC[C@H](C)[C@H](O)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113342525 454924183 /nfs/dbraw/zinc/92/41/83/454924183.db2.gz MVAUNEMBTAEULC-XHDPSFHLSA-N 0 1 335.429 3.215 20 5 EGBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc2c(c1)CCO2 ZINC000178729317 454970125 /nfs/dbraw/zinc/97/01/25/454970125.db2.gz NZVREKLLFSCPQR-GFCCVEGCSA-N 0 1 328.368 3.389 20 5 EGBDMN CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000128640136 455074017 /nfs/dbraw/zinc/07/40/17/455074017.db2.gz HOPNLPYMSHZMJX-KRWDZBQOSA-N 0 1 341.411 3.147 20 5 EGBDMN CC(C)c1cc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)n[nH]1 ZINC000152305523 455099732 /nfs/dbraw/zinc/09/97/32/455099732.db2.gz FTBBGKJVXUDONH-UHFFFAOYSA-N 0 1 328.372 3.246 20 5 EGBDMN CCS(=O)(=O)c1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000179948817 455104073 /nfs/dbraw/zinc/10/40/73/455104073.db2.gz AUOXGLCEJLVCMM-CYBMUJFWSA-N 0 1 348.424 3.239 20 5 EGBDMN CCN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000182169185 455451685 /nfs/dbraw/zinc/45/16/85/455451685.db2.gz QYBNWUWLGKAIFT-UHFFFAOYSA-N 0 1 340.445 3.023 20 5 EGBDMN CCN(CC)[C@@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])c1ccco1 ZINC000601019503 460678012 /nfs/dbraw/zinc/67/80/12/460678012.db2.gz CQJBVJYGWYCYRB-AWEZNQCLSA-N 0 1 349.362 3.140 20 5 EGBDMN CCOc1ccc(NC(=O)CN2CC[C@H](C)[C@H]2CC)c([N+](=O)[O-])c1 ZINC000185665051 455591927 /nfs/dbraw/zinc/59/19/27/455591927.db2.gz LABIDTPYSGMKGV-SWLSCSKDSA-N 0 1 335.404 3.052 20 5 EGBDMN C[NH+](C)[C@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC000186025132 455678741 /nfs/dbraw/zinc/67/87/41/455678741.db2.gz YGIUIEDHCBYXKK-AWEZNQCLSA-N 0 1 349.774 3.195 20 5 EGBDMN Cc1csc(C2(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)CCCC2)n1 ZINC000269278313 455826795 /nfs/dbraw/zinc/82/67/95/455826795.db2.gz KCNBNWUZGRVLRJ-UHFFFAOYSA-N 0 1 347.396 3.265 20 5 EGBDMN Cc1cc(C2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)n[nH]1 ZINC000272152962 455860787 /nfs/dbraw/zinc/86/07/87/455860787.db2.gz WFUIVPGMPNSFJA-UHFFFAOYSA-N 0 1 348.790 3.300 20 5 EGBDMN Cc1noc(C2CCN(C/C=C\c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000255191477 455862920 /nfs/dbraw/zinc/86/29/20/455862920.db2.gz QFBWGOLJKQQYRL-XQRVVYSFSA-N 0 1 328.372 3.179 20 5 EGBDMN CC1(C)C[C@H](O)CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000296169831 455871132 /nfs/dbraw/zinc/87/11/32/455871132.db2.gz TYXQCZRIXNFIJD-MRXNPFEDSA-N 0 1 345.399 3.233 20 5 EGBDMN NC1(c2noc(-c3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)CCC1 ZINC000261793675 455948814 /nfs/dbraw/zinc/94/88/14/455948814.db2.gz OQEVMCJZOIIHLR-UHFFFAOYSA-N 0 1 328.250 3.002 20 5 EGBDMN CO[C@@]1(C)CCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000280559376 455999952 /nfs/dbraw/zinc/99/99/52/455999952.db2.gz QZZVGRSIFDFCQL-KSSFIOAISA-N 0 1 349.431 3.121 20 5 EGBDMN CCOCCC1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCCC1 ZINC000272667562 456032496 /nfs/dbraw/zinc/03/24/96/456032496.db2.gz JLNSNRDBFAYNNK-UHFFFAOYSA-N 0 1 336.388 3.017 20 5 EGBDMN Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000270850662 456052735 /nfs/dbraw/zinc/05/27/35/456052735.db2.gz YLSZWQFERHZILX-CYBMUJFWSA-N 0 1 327.388 3.283 20 5 EGBDMN Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000270850662 456052740 /nfs/dbraw/zinc/05/27/40/456052740.db2.gz YLSZWQFERHZILX-CYBMUJFWSA-N 0 1 327.388 3.283 20 5 EGBDMN C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccs1 ZINC000296870203 456056856 /nfs/dbraw/zinc/05/68/56/456056856.db2.gz ZNJVTSNTVZUOJU-RYUDHWBXSA-N 0 1 333.413 3.012 20 5 EGBDMN Cc1cnc(C2CC[NH+](Cc3cc([O-])ccc3[N+](=O)[O-])CC2)s1 ZINC000332423310 456074674 /nfs/dbraw/zinc/07/46/74/456074674.db2.gz ARZAQYRBTNFFMD-UHFFFAOYSA-N 0 1 333.413 3.445 20 5 EGBDMN Cc1[nH]nc(C(=O)N2CCC(c3cccc(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000332434801 456077365 /nfs/dbraw/zinc/07/73/65/456077365.db2.gz XRARWNOYFKOIEZ-UHFFFAOYSA-N 0 1 348.790 3.300 20 5 EGBDMN O=C([O-])[C@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000263414563 456145054 /nfs/dbraw/zinc/14/50/54/456145054.db2.gz MRIBOJXODNWCPY-CQSZACIVSA-N 0 1 332.381 3.372 20 5 EGBDMN O=[N+]([O-])c1ccc(CN[C@H](CO)Cc2ccc(F)cc2)c(Cl)c1 ZINC000273097844 456175583 /nfs/dbraw/zinc/17/55/83/456175583.db2.gz VAXDHTMZAVJUDY-AWEZNQCLSA-N 0 1 338.766 3.081 20 5 EGBDMN C[C@@H](Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])c1nnc[nH]1 ZINC000301944444 456257448 /nfs/dbraw/zinc/25/74/48/456257448.db2.gz YYTZNCGJTILXCK-LLVKDONJSA-N 0 1 337.339 3.117 20 5 EGBDMN O=[N+]([O-])c1ccc2c(c1NCCN1CCc3ccccc3C1)CCN2 ZINC000302412118 456341023 /nfs/dbraw/zinc/34/10/23/456341023.db2.gz HBEPQEHECPJZGB-UHFFFAOYSA-N 0 1 338.411 3.033 20 5 EGBDMN CSc1ccc(C(=O)Nc2ncc(C(F)(F)F)[nH]2)cc1[N+](=O)[O-] ZINC000337632550 456440759 /nfs/dbraw/zinc/44/07/59/456440759.db2.gz PXRJIJSBLXTSHL-UHFFFAOYSA-N 0 1 346.290 3.311 20 5 EGBDMN COc1cccc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000298879499 456561268 /nfs/dbraw/zinc/56/12/68/456561268.db2.gz NMUYWURZMIWSSM-OLZOCXBDSA-N 0 1 343.383 3.281 20 5 EGBDMN O=[N+]([O-])c1ccc(Cl)c(CN2CC[C@@](CO)(c3ccccc3)C2)c1 ZINC000291376759 456624475 /nfs/dbraw/zinc/62/44/75/456624475.db2.gz ZUEHDZQVLZUYOM-GOSISDBHSA-N 0 1 346.814 3.384 20 5 EGBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])[nH]3)[nH]c2c1 ZINC000299435997 456693171 /nfs/dbraw/zinc/69/31/71/456693171.db2.gz SVGSELUEXCRVKA-AWEZNQCLSA-N 0 1 339.355 3.085 20 5 EGBDMN CCCn1ccnc1CCCN(C)Cc1ccc([N+](=O)[O-])cc1F ZINC000277133552 456693718 /nfs/dbraw/zinc/69/37/18/456693718.db2.gz IOIWAVIGWVNMPX-UHFFFAOYSA-N 0 1 334.395 3.405 20 5 EGBDMN Cc1nc2sccn2c1CN(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000340860815 456724857 /nfs/dbraw/zinc/72/48/57/456724857.db2.gz QMOMCYJPLWZMTA-UHFFFAOYSA-N 0 1 346.412 3.123 20 5 EGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1ccncc1F ZINC000338338679 456775515 /nfs/dbraw/zinc/77/55/15/456775515.db2.gz DHTHMYBTKIVTOZ-GFCCVEGCSA-N 0 1 346.362 3.117 20 5 EGBDMN CCc1[nH]nc(C(=O)N(Cc2ccccc2F)C(C)C)c1[N+](=O)[O-] ZINC000277524712 456852564 /nfs/dbraw/zinc/85/25/64/456852564.db2.gz BKRDXEPKDLPFAQ-UHFFFAOYSA-N 0 1 334.351 3.070 20 5 EGBDMN CC(C)c1nc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])s2)n[nH]1 ZINC000292110849 456858712 /nfs/dbraw/zinc/85/87/12/456858712.db2.gz WFLFKNBVWIWQCB-JTQLQIEISA-N 0 1 349.416 3.265 20 5 EGBDMN Cn1c2ccccc2nc1C(C)(C)NCc1cc(O)ccc1[N+](=O)[O-] ZINC000339098155 456939641 /nfs/dbraw/zinc/93/96/41/456939641.db2.gz ZOLKEVDXNPUCBZ-UHFFFAOYSA-N 0 1 340.383 3.212 20 5 EGBDMN C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCCN(c2ccccc2)C1 ZINC000353885903 456951288 /nfs/dbraw/zinc/95/12/88/456951288.db2.gz UMVFDEDWHXGLOY-KRWDZBQOSA-N 0 1 341.411 3.401 20 5 EGBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3ccc[nH]3)cc2)cc1 ZINC000341932564 457009842 /nfs/dbraw/zinc/00/98/42/457009842.db2.gz QIDRTBMAPISFFC-UHFFFAOYSA-N 0 1 343.364 3.391 20 5 EGBDMN CC(C)N1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000349819796 457064982 /nfs/dbraw/zinc/06/49/82/457064982.db2.gz QPCKBKWEJMAZHO-UHFFFAOYSA-N 0 1 329.400 3.381 20 5 EGBDMN O=C(N[C@H]1CCc2sc(Cl)cc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356688763 457119600 /nfs/dbraw/zinc/11/96/00/457119600.db2.gz WJFZAUWWGYBCDO-NSHDSACASA-N 0 1 338.772 3.433 20 5 EGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000356759942 457154356 /nfs/dbraw/zinc/15/43/56/457154356.db2.gz DVXSJFPLVLDZOQ-GFCCVEGCSA-N 0 1 330.315 3.069 20 5 EGBDMN COc1ccc(CNC2(c3ccc4c(c3)OCO4)CC2)cc1[N+](=O)[O-] ZINC000342218326 457174870 /nfs/dbraw/zinc/17/48/70/457174870.db2.gz HHSOMBVVIWYLNI-UHFFFAOYSA-N 0 1 342.351 3.111 20 5 EGBDMN COc1cc(CNCc2cccc3cc[nH]c32)c([N+](=O)[O-])cc1OC ZINC000342319513 457235438 /nfs/dbraw/zinc/23/54/38/457235438.db2.gz WMYJGTNADMZSFN-UHFFFAOYSA-N 0 1 341.367 3.383 20 5 EGBDMN CC(C)c1nnc([C@@H]2CCCCN2Cc2cc(O)ccc2[N+](=O)[O-])[nH]1 ZINC000331846828 457260435 /nfs/dbraw/zinc/26/04/35/457260435.db2.gz CIKZSCFGMPIFDN-HNNXBMFYSA-N 0 1 345.403 3.269 20 5 EGBDMN CC(C)c1nc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000331849502 457260713 /nfs/dbraw/zinc/26/07/13/457260713.db2.gz CUADRWJDISPPJT-CQSZACIVSA-N 0 1 343.387 3.204 20 5 EGBDMN CC[C@@H](CC(F)(F)F)N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000354541636 457279151 /nfs/dbraw/zinc/27/91/51/457279151.db2.gz JTGUGCOSYNXCTQ-GXFFZTMASA-N 0 1 345.321 3.021 20 5 EGBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@](C)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000332160685 457317202 /nfs/dbraw/zinc/31/72/02/457317202.db2.gz QNZITRQESJEGKP-SFHVURJKSA-N 0 1 342.399 3.245 20 5 EGBDMN COc1ccc(NC(=O)[C@@H](C(C)C)N2CCCCC2)cc1[N+](=O)[O-] ZINC000360748162 457335805 /nfs/dbraw/zinc/33/58/05/457335805.db2.gz RKNPAAKOPUZHGZ-MRXNPFEDSA-N 0 1 335.404 3.052 20 5 EGBDMN Cc1cccc2nc(CNC(=O)Nc3cc(F)cc([N+](=O)[O-])c3)[nH]c21 ZINC000347293144 457336074 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C[C@@H]1CCC[C@@H]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000347802320 456375153 /nfs/dbraw/zinc/37/51/53/456375153.db2.gz JFAKXIORJHSBGD-GHMZBOCLSA-N 0 1 329.360 3.145 20 5 EGBDMN Cn1c2ccc(CNC(C)(C)c3ccc([N+](=O)[O-])cc3)cc2oc1=O ZINC000352916425 456410167 /nfs/dbraw/zinc/41/01/67/456410167.db2.gz SSYPPRMEVXWPDL-UHFFFAOYSA-N 0 1 341.367 3.065 20 5 EGBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000299540819 456722861 /nfs/dbraw/zinc/72/28/61/456722861.db2.gz OLBUXWDDBPQFIA-GFCCVEGCSA-N 0 1 334.763 3.257 20 5 EGBDMN C[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000353568542 456768032 /nfs/dbraw/zinc/76/80/32/456768032.db2.gz LYKRMNXHHJUFBA-INIZCTEOSA-N 0 1 325.412 3.301 20 5 EGBDMN Cc1nc2cccc(C(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)c2[nH]1 ZINC000338576397 456841174 /nfs/dbraw/zinc/84/11/74/456841174.db2.gz YFXFIVYDQVHKBP-UHFFFAOYSA-N 0 1 338.367 3.445 20 5 EGBDMN CC[C@@H](NCc1ccc2c(c1)C(=O)NCC2)c1cccc([N+](=O)[O-])c1 ZINC000349698413 457019729 /nfs/dbraw/zinc/01/97/29/457019729.db2.gz YOCAZSCZQOCWSM-GOSISDBHSA-N 0 1 339.395 3.122 20 5 EGBDMN C[C@@H]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1(C)C ZINC000354043141 457028346 /nfs/dbraw/zinc/02/83/46/457028346.db2.gz VTTKODSCIXTBRF-CJNGLKHVSA-N 0 1 331.416 3.068 20 5 EGBDMN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1c1ncccc1[N+](=O)[O-] ZINC000346678184 457108237 /nfs/dbraw/zinc/10/82/37/457108237.db2.gz WUDLEBXWSBMHNF-LSDHHAIUSA-N 0 1 326.400 3.089 20 5 EGBDMN Cc1c(CNCc2ccc(N3CCCC3)nc2)cccc1[N+](=O)[O-] ZINC000359816927 457132094 /nfs/dbraw/zinc/13/20/94/457132094.db2.gz KXIHQODVHACNKQ-UHFFFAOYSA-N 0 1 326.400 3.188 20 5 EGBDMN O=C(Nc1cccc(-c2ncco2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356723449 457135688 /nfs/dbraw/zinc/13/56/88/457135688.db2.gz FDQHMSCTUQAXOI-UHFFFAOYSA-N 0 1 325.280 3.208 20 5 EGBDMN CC(C)c1ccc(CN[C@@H](CC(N)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000339531593 457137360 /nfs/dbraw/zinc/13/73/60/457137360.db2.gz MYGLLRGQFQWSKV-KRWDZBQOSA-N 0 1 341.411 3.425 20 5 EGBDMN O=C(NCC1(Cc2ccc(F)cc2)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356780670 457164858 /nfs/dbraw/zinc/16/48/58/457164858.db2.gz PREUMDBSNNJMOY-UHFFFAOYSA-N 0 1 344.342 3.192 20 5 EGBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H](CO)CC(F)(F)F)o1 ZINC000339789679 457271225 /nfs/dbraw/zinc/27/12/25/457271225.db2.gz YWJVLRWYAOABPI-SNVBAGLBSA-N 0 1 344.289 3.258 20 5 EGBDMN CCc1[nH]nc(C(=O)N2[C@@H](C)Cc3cc(F)ccc3[C@@H]2C)c1[N+](=O)[O-] ZINC000331924554 457273939 /nfs/dbraw/zinc/27/39/39/457273939.db2.gz DAHFUVCHSWUWFQ-UWVGGRQHSA-N 0 1 346.362 3.167 20 5 EGBDMN CC[C@@H](CC(F)(F)F)N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000354541635 457279362 /nfs/dbraw/zinc/27/93/62/457279362.db2.gz JTGUGCOSYNXCTQ-GWCFXTLKSA-N 0 1 345.321 3.021 20 5 EGBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@H](c3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000332172557 457320039 /nfs/dbraw/zinc/32/00/39/457320039.db2.gz SXLBSZFLZXKPLK-OCCSQVGLSA-N 0 1 342.399 3.460 20 5 EGBDMN CC(C)c1[nH]nc(C(=O)N2CCC=C(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000357101939 457323596 /nfs/dbraw/zinc/32/35/96/457323596.db2.gz OXDQUAZMXDMDSJ-UHFFFAOYSA-N 0 1 340.383 3.371 20 5 EGBDMN Cc1ccncc1CCCN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000347581804 457525321 /nfs/dbraw/zinc/52/53/21/457525321.db2.gz HIZSVCULSKFRIB-UHFFFAOYSA-N 0 1 340.427 3.053 20 5 EGBDMN CC(C)COc1ccccc1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356350211 457578962 /nfs/dbraw/zinc/57/89/62/457578962.db2.gz UTDGOVQUYCVRSG-UHFFFAOYSA-N 0 1 344.367 3.265 20 5 EGBDMN Cc1ccc([C@H](C)N[C@H]2CC(=O)N(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000357802719 457695339 /nfs/dbraw/zinc/69/53/39/457695339.db2.gz WCEKNUVPHREFCL-HOCLYGCPSA-N 0 1 339.395 3.359 20 5 EGBDMN O=[N+]([O-])c1ccn(C2CCN(C/C=C\c3ccc(F)cc3F)CC2)n1 ZINC000425992119 457756247 /nfs/dbraw/zinc/75/62/47/457756247.db2.gz AQYQRWAAVHKLMP-UPHRSURJSA-N 0 1 348.353 3.420 20 5 EGBDMN COCCN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CC[C@H](C)C1 ZINC000444713775 457953008 /nfs/dbraw/zinc/95/30/08/457953008.db2.gz ZTXZZZWUZUJENK-STQMWFEESA-N 0 1 332.404 3.108 20 5 EGBDMN Cc1c(CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000444729879 457958522 /nfs/dbraw/zinc/95/85/22/457958522.db2.gz IGTGVPUFJFFWCW-OCCSQVGLSA-N 0 1 332.322 3.038 20 5 EGBDMN CC(C)N(Cc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccccc1 ZINC000444811224 457982506 /nfs/dbraw/zinc/98/25/06/457982506.db2.gz IGDNVAIILZBKMI-KRWDZBQOSA-N 0 1 344.411 3.245 20 5 EGBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@H](C)Cc2cccc(F)c2)c1[N+](=O)[O-] ZINC000458244262 457985226 /nfs/dbraw/zinc/98/52/26/457985226.db2.gz LNHVFXMDDAQWBM-LLVKDONJSA-N 0 1 348.378 3.284 20 5 EGBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCSC2(CCC2)CC1 ZINC000411863284 457995779 /nfs/dbraw/zinc/99/57/79/457995779.db2.gz BXQOCVDCMAKZMT-CYBMUJFWSA-N 0 1 349.456 3.283 20 5 EGBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000445161043 458021914 /nfs/dbraw/zinc/02/19/14/458021914.db2.gz DKJJMNXQJQDYNN-UHFFFAOYSA-N 0 1 331.376 3.279 20 5 EGBDMN CCCc1[nH]nc(C(=O)N2CCC(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000369142782 458099970 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Cc1c([C@@H](C)NCC(=O)Nc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000126287079 454883397 /nfs/dbraw/zinc/88/33/97/454883397.db2.gz DANMHDGFNBPYMQ-GFCCVEGCSA-N 0 1 331.347 3.332 20 5 EGBDMN COc1ccc2c(c1)[C@H](NCc1cc([N+](=O)[O-])ccc1OC)CC2 ZINC000178728934 454970057 /nfs/dbraw/zinc/97/00/57/454970057.db2.gz WGEDCFATBSTEEM-QGZVFWFLSA-N 0 1 328.368 3.389 20 5 EGBDMN Cc1c(NC(=O)CC[N@H+](C)[C@H](C)c2ccccn2)cccc1[N+](=O)[O-] ZINC000128015869 455018563 /nfs/dbraw/zinc/01/85/63/455018563.db2.gz DNGPJSFXJIMANE-CQSZACIVSA-N 0 1 342.399 3.320 20 5 EGBDMN CCOc1ccc([C@@H](C)N[C@H](C)c2cnn(C)c2C)cc1[N+](=O)[O-] ZINC000179399182 455044387 /nfs/dbraw/zinc/04/43/87/455044387.db2.gz LFLIRWPXGPAXTP-VXGBXAGGSA-N 0 1 332.404 3.447 20 5 EGBDMN CC(=O)NC[C@H]1CN(Cc2c3ccccc3cc3ccccc32)CCO1 ZINC000179713389 455070098 /nfs/dbraw/zinc/07/00/98/455070098.db2.gz MWYPQJIETNKLSG-IBGZPJMESA-N 0 1 348.446 3.330 20 5 EGBDMN CC[C@H](C)N(C)Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000179933772 455101948 /nfs/dbraw/zinc/10/19/48/455101948.db2.gz PALZUBZDWHUKII-JTQLQIEISA-N 0 1 332.347 3.478 20 5 EGBDMN CCc1ccc(C(C)(C)NCc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000180096091 455130923 /nfs/dbraw/zinc/13/09/23/455130923.db2.gz AJWJNPDFOKBJEO-UHFFFAOYSA-N 0 1 341.411 3.281 20 5 EGBDMN CCc1ccc(NC(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180423552 455166981 /nfs/dbraw/zinc/16/69/81/455166981.db2.gz BAXVYJWOSPOQBJ-CYBMUJFWSA-N 0 1 327.384 3.447 20 5 EGBDMN C[C@@H](NCC(=O)N[C@@H](C)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000180442695 455171184 /nfs/dbraw/zinc/17/11/84/455171184.db2.gz ZZMCATASSQKZEB-NEPJUHHUSA-N 0 1 333.413 3.184 20 5 EGBDMN CN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H]1CCCN(C)C1 ZINC000266095535 455423146 /nfs/dbraw/zinc/42/31/46/455423146.db2.gz IJYURTOFSQWVLH-AWEZNQCLSA-N 0 1 333.432 3.059 20 5 EGBDMN COc1ccc(NC(=O)CN2[C@H](C)C[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000246116685 455429673 /nfs/dbraw/zinc/42/96/73/455429673.db2.gz GGDIXWUJSJQVHN-DVOMOZLQSA-N 0 1 347.415 3.195 20 5 EGBDMN COc1ccc(OCCN2CCC[C@H]2c2cccn2C)c([N+](=O)[O-])c1 ZINC000175492885 455453380 /nfs/dbraw/zinc/45/33/80/455453380.db2.gz XCAFBOXENKNMNQ-INIZCTEOSA-N 0 1 345.399 3.158 20 5 EGBDMN CCOc1ccc(NC(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000266843856 455461097 /nfs/dbraw/zinc/46/10/97/455461097.db2.gz HOPVMJFNSWUKBD-ZDUSSCGKSA-N 0 1 343.383 3.283 20 5 EGBDMN Nc1ccc([N+](=O)[O-])c(N2CCCN(Cc3ccc(F)cc3)CC2)c1 ZINC000192769623 455689175 /nfs/dbraw/zinc/68/91/75/455689175.db2.gz CEMHLJHVQSFNLQ-UHFFFAOYSA-N 0 1 344.390 3.028 20 5 EGBDMN Cc1cc(NCc2nn(C)c3ccccc23)c2cc([N+](=O)[O-])ccc2n1 ZINC000612667051 460693190 /nfs/dbraw/zinc/69/31/90/460693190.db2.gz WZZCDHDWAYPLDX-UHFFFAOYSA-N 0 1 347.378 3.372 20 5 EGBDMN Cc1nc(C[C@H]2CCCN([C@H](C)c3cccc([N+](=O)[O-])c3)C2)no1 ZINC000249864914 455778904 /nfs/dbraw/zinc/77/89/04/455778904.db2.gz HKBRZDWTDPSNCW-TZMCWYRMSA-N 0 1 330.388 3.302 20 5 EGBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CCSC2(CCOCC2)C1 ZINC000186485166 455779485 /nfs/dbraw/zinc/77/94/85/455779485.db2.gz XYAAGSSSEUJUFJ-HWKANZROSA-N 0 1 334.441 3.206 20 5 EGBDMN O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@@H]4CCC[C@H]43)n2)c1 ZINC000252481235 455807977 /nfs/dbraw/zinc/80/79/77/455807977.db2.gz UOTROFSSKYPMDG-SWLSCSKDSA-N 0 1 328.372 3.409 20 5 EGBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2ncsc2c1 ZINC000194156101 455809229 /nfs/dbraw/zinc/80/92/29/455809229.db2.gz VCDVWQNAVTYYDM-UHFFFAOYSA-N 0 1 349.393 3.314 20 5 EGBDMN Cc1cc(C2CCN(C(=O)c3cc([N+](=O)[O-])c(C)s3)CC2)n[nH]1 ZINC000272078558 455840572 /nfs/dbraw/zinc/84/05/72/455840572.db2.gz JDFQNRURXAKSRF-UHFFFAOYSA-N 0 1 334.401 3.016 20 5 EGBDMN C[C@H](C1CC1)N(C(=O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000296529892 455964472 /nfs/dbraw/zinc/96/44/72/455964472.db2.gz CWXXURSBPCZUDQ-QWHCGFSZSA-N 0 1 331.416 3.035 20 5 EGBDMN COc1ncc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1Cl ZINC000296648864 456000513 /nfs/dbraw/zinc/00/05/13/456000513.db2.gz YSEKUZRKCCMXLH-SECBINFHSA-N 0 1 336.779 3.085 20 5 EGBDMN CNC(=O)CC[C@@H]1CCCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000286307520 456020534 /nfs/dbraw/zinc/02/05/34/456020534.db2.gz DRWMQPDDIBWENS-AWEZNQCLSA-N 0 1 339.823 3.129 20 5 EGBDMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000263011826 456076842 /nfs/dbraw/zinc/07/68/42/456076842.db2.gz CAUYZHVKHOEENH-OLZOCXBDSA-N 0 1 344.367 3.397 20 5 EGBDMN Cc1ccnc(Sc2nc(-c3ccccc3F)n[nH]2)c1[N+](=O)[O-] ZINC000301280454 456080146 /nfs/dbraw/zinc/08/01/46/456080146.db2.gz JXLJMOHGAONMAF-UHFFFAOYSA-N 0 1 331.332 3.374 20 5 EGBDMN O=[N+]([O-])c1cccnc1Sc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000301463907 456121666 /nfs/dbraw/zinc/12/16/66/456121666.db2.gz PCJGSKJGSYMDSX-UHFFFAOYSA-N 0 1 335.295 3.204 20 5 EGBDMN Cc1c(CN2CC[C@@H](OCc3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000281112663 456137742 /nfs/dbraw/zinc/13/77/42/456137742.db2.gz WWDYOACKPJZCRK-QGZVFWFLSA-N 0 1 327.384 3.089 20 5 EGBDMN CCOc1ccc([C@@H](C)NCc2cccc(CO)c2)cc1[N+](=O)[O-] ZINC000271203263 456170982 /nfs/dbraw/zinc/17/09/82/456170982.db2.gz ZPCTUYPKMLCRGZ-CYBMUJFWSA-N 0 1 330.384 3.337 20 5 EGBDMN CCCc1[nH]nc(C(=O)N2CC[C@H](c3cccc(C)c3)C2)c1[N+](=O)[O-] ZINC000273178754 456201959 /nfs/dbraw/zinc/20/19/59/456201959.db2.gz FWAKOYDUOPXANV-AWEZNQCLSA-N 0 1 342.399 3.209 20 5 EGBDMN CN(C)Cc1ccc(CNc2ncc([N+](=O)[O-])cc2Cl)cc1F ZINC000301898364 456246511 /nfs/dbraw/zinc/24/65/11/456246511.db2.gz WUKDXKJTOJMVLK-UHFFFAOYSA-N 0 1 338.770 3.456 20 5 EGBDMN CCOc1cc(N2CCN(C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000301916909 456250836 /nfs/dbraw/zinc/25/08/36/456250836.db2.gz BBIGSBFRUDINSG-SFHVURJKSA-N 0 1 341.411 3.487 20 5 EGBDMN Cc1ccc(C)c(S(=O)(=O)Nc2cc(F)ccc2F)c1[N+](=O)[O-] ZINC000189226337 456259071 /nfs/dbraw/zinc/25/90/71/456259071.db2.gz FASLWLVINHPRBY-UHFFFAOYSA-N 0 1 342.323 3.291 20 5 EGBDMN C[C@@H]1CCC[N@@H+](CCNc2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000302061837 456278210 /nfs/dbraw/zinc/27/82/10/456278210.db2.gz UCLKHUDGODNVAM-LLVKDONJSA-N 0 1 329.347 3.340 20 5 EGBDMN Cc1cc2[nH]ncc2cc1Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000302713847 456382200 /nfs/dbraw/zinc/38/22/00/456382200.db2.gz LQLHNMWJWUKVNH-UHFFFAOYSA-N 0 1 337.339 3.408 20 5 EGBDMN CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000276144018 456397986 /nfs/dbraw/zinc/39/79/86/456397986.db2.gz BVKLGHOQBAZSLP-NSHDSACASA-N 0 1 332.278 3.103 20 5 EGBDMN CC(C)[C@H]1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000303648985 456474145 /nfs/dbraw/zinc/47/41/45/456474145.db2.gz SXEKKYLRPLKUKU-HNNXBMFYSA-N 0 1 333.432 3.316 20 5 EGBDMN C[C@]1(CNCc2ccc([N+](=O)[O-])cc2F)OCCc2sccc21 ZINC000353228951 456574238 /nfs/dbraw/zinc/57/42/38/456574238.db2.gz QIGUFRCGSATAHC-MRXNPFEDSA-N 0 1 336.388 3.373 20 5 EGBDMN CCN(C[C@H](C)OC)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000291326291 456606285 /nfs/dbraw/zinc/60/62/85/456606285.db2.gz VEUUCKOXFGDUCY-RYUDHWBXSA-N 0 1 334.376 3.063 20 5 EGBDMN COc1cc(CN[C@H](C)c2ccc3n[nH]cc3c2)ccc1[N+](=O)[O-] ZINC000353283980 456610202 /nfs/dbraw/zinc/61/02/02/456610202.db2.gz BTDZABHZFYBMAJ-LLVKDONJSA-N 0 1 326.356 3.331 20 5 EGBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H]2C[C@H](O)c2ccco2)cc1F ZINC000283252670 456745025 /nfs/dbraw/zinc/74/50/25/456745025.db2.gz VMWYQHSTWLUNEK-BBRMVZONSA-N 0 1 334.347 3.415 20 5 EGBDMN CC[C@@H](C)c1nc([C@H](C)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n[nH]1 ZINC000277532045 456854369 /nfs/dbraw/zinc/85/43/69/456854369.db2.gz YHGRHGQMJPDXPR-BDAKNGLRSA-N 0 1 334.336 3.308 20 5 EGBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CN1CCC(C)CC1 ZINC000353730765 456876591 /nfs/dbraw/zinc/87/65/91/456876591.db2.gz JQEMCMLRLQHFCA-UHFFFAOYSA-N 0 1 333.432 3.064 20 5 EGBDMN Cc1ccc(CN[C@@H](CC(=O)N(C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000353756576 456893344 /nfs/dbraw/zinc/89/33/44/456893344.db2.gz WDXHFJGGHCWFKK-KRWDZBQOSA-N 0 1 341.411 3.212 20 5 EGBDMN CC[C@]1(CO)CCCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339114493 456946572 /nfs/dbraw/zinc/94/65/72/456946572.db2.gz ZFFRQKYKHOJXJG-CQSZACIVSA-N 0 1 332.322 3.351 20 5 EGBDMN Cc1c([C@H](C)NCc2ccc3c(c2)C(=O)NCC3)cccc1[N+](=O)[O-] ZINC000349682299 457014806 /nfs/dbraw/zinc/01/48/06/457014806.db2.gz AIAAGIJTUBOQQH-ZDUSSCGKSA-N 0 1 339.395 3.040 20 5 EGBDMN CC[C@@H]1CCCCN1C(=O)[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000330493313 457048762 /nfs/dbraw/zinc/04/87/62/457048762.db2.gz MIPNPUMPLKDKKI-IIAWOOMASA-N 0 1 333.432 3.425 20 5 EGBDMN CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])[N@@H+](C)Cc1ccccc1 ZINC000339351938 457063001 /nfs/dbraw/zinc/06/30/01/457063001.db2.gz FQVXTZCMLMBQLV-MRXNPFEDSA-N 0 1 343.383 3.150 20 5 EGBDMN CC[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1cc(F)ccc1F ZINC000356576441 457064990 /nfs/dbraw/zinc/06/49/90/457064990.db2.gz LHOWTHQHAIFANJ-OAHLLOKOSA-N 0 1 336.294 3.460 20 5 EGBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@H](CC2CC2)C1 ZINC000339682740 457210805 /nfs/dbraw/zinc/21/08/05/457210805.db2.gz LIOXAPJFMVLGCH-GXTWGEPZSA-N 0 1 347.415 3.052 20 5 EGBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2cc(F)cc(Cl)c2)cc1 ZINC000360039808 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ZINC000905852307 1318007016 /nfs/dbraw/zinc/00/70/16/1318007016.db2.gz HSADZQDVFGWKFV-LXTVHRRPSA-N 0 1 333.432 3.423 20 5 EGBDMN C[C@@H](N[C@@H](C)C(=O)N1[C@H](C)CCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000905852308 1318007248 /nfs/dbraw/zinc/00/72/48/1318007248.db2.gz HSADZQDVFGWKFV-TUVASFSCSA-N 0 1 333.432 3.423 20 5 EGBDMN CC(C)OCc1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)ccc1O ZINC000811594140 1318207911 /nfs/dbraw/zinc/20/79/11/1318207911.db2.gz MEKJPOWADHIJHN-UHFFFAOYSA-N 0 1 346.339 3.183 20 5 EGBDMN CC(C(=O)N[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C1)=C1CCCC1 ZINC001021957641 1318749473 /nfs/dbraw/zinc/74/94/73/1318749473.db2.gz UFHOXKCNIJFCMA-GASCZTMLSA-N 0 1 349.456 3.284 20 5 EGBDMN C[C@@H](N[C@H]1CCOc2ccc(F)cc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815592862 1319024032 /nfs/dbraw/zinc/02/40/32/1319024032.db2.gz VAGXQECNQFAJKN-BMIGLBTASA-N 0 1 331.347 3.491 20 5 EGBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN(C)C[C@H]1CC(C)C ZINC000930314226 1328831935 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CC1(NC(=O)C=C2CCC2)CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001754625277 1440646305 /nfs/dbraw/zinc/64/63/05/1440646305.db2.gz QJJRXTOQKYACHM-UHFFFAOYSA-N 0 1 343.427 3.176 20 5 EGBDMN O=[N+]([O-])c1ccc(O)cc1CN1CC2(CCOCC2)c2ccccc21 ZINC001772504681 1441416160 /nfs/dbraw/zinc/41/61/60/1441416160.db2.gz TWSZGLHWCKAKEJ-UHFFFAOYSA-N 0 1 340.379 3.369 20 5 EGBDMN Cc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001594358733 958428828 /nfs/dbraw/zinc/42/88/28/958428828.db2.gz PXGMHZFMLZPETH-DLBZAZTESA-N 0 1 340.379 3.203 20 5 EGBDMN O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000818329195 969188165 /nfs/dbraw/zinc/18/81/65/969188165.db2.gz QMJZPDHRQAJZPD-LBPRGKRZSA-N 0 1 326.780 3.468 20 5 EGBDMN C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H]1C(=O)[O-] ZINC001603430396 973177303 /nfs/dbraw/zinc/17/73/03/973177303.db2.gz RQVDRNMWYVYALX-SKDRFNHKSA-N 0 1 346.305 3.156 20 5 EGBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 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EGBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]2c2cc(C)ccc2C)c1[N+](=O)[O-] ZINC000268703943 252154272 /nfs/dbraw/zinc/15/42/72/252154272.db2.gz KYZSNTOXUHPFET-CQSZACIVSA-N 0 1 328.372 3.220 20 5 EGBDMN Cn1cccc1[C@@H]1CCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269211774 255545786 /nfs/dbraw/zinc/54/57/86/255545786.db2.gz WGURIUAZEQYFKH-INIZCTEOSA-N 0 1 329.356 3.006 20 5 EGBDMN Cc1ccnc(NC2CCN([C@@H](C)c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000119269507 221281010 /nfs/dbraw/zinc/28/10/10/221281010.db2.gz YWSXTABFKDCKSQ-AWEZNQCLSA-N 0 1 341.415 3.331 20 5 EGBDMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000263520494 141056263 /nfs/dbraw/zinc/05/62/63/141056263.db2.gz QRIOWPDAPMTKLS-QGZVFWFLSA-N 0 1 330.340 3.151 20 5 EGBDMN CSc1cccc(C(=O)Nc2cc(CN(C)C)ccn2)c1[N+](=O)[O-] ZINC000186707534 144142097 /nfs/dbraw/zinc/14/20/97/144142097.db2.gz PMHCNNKVZCSLDA-UHFFFAOYSA-N 0 1 346.412 3.026 20 5 EGBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](C)C2(CCC2)C1 ZINC000357025916 144326642 /nfs/dbraw/zinc/32/66/42/144326642.db2.gz QJCXZTFYEVHZDM-KBPBESRZSA-N 0 1 331.416 3.434 20 5 EGBDMN CC(=O)c1cccc(S(=O)(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)c1 ZINC000188594431 153023602 /nfs/dbraw/zinc/02/36/02/153023602.db2.gz GBSNYDXICBANBU-UHFFFAOYSA-N 0 1 348.380 3.215 20 5 EGBDMN CC(C)c1ccc(CN2CCC(Cn3cncn3)CC2)cc1[N+](=O)[O-] ZINC000189969648 153109211 /nfs/dbraw/zinc/10/92/11/153109211.db2.gz LKVNZHPGZQQUTR-UHFFFAOYSA-N 0 1 343.431 3.222 20 5 EGBDMN Cc1c(CN2CCN(Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000310313311 154141511 /nfs/dbraw/zinc/14/15/11/154141511.db2.gz UNQKGDUSDHKMIO-UHFFFAOYSA-N 0 1 325.412 3.221 20 5 EGBDMN O=C(NCCCSc1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356210258 156625502 /nfs/dbraw/zinc/62/55/02/156625502.db2.gz GAXZNNQGWIYOHQ-UHFFFAOYSA-N 0 1 332.381 3.213 20 5 EGBDMN COC(=O)[C@@H]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000248889302 163043314 /nfs/dbraw/zinc/04/33/14/163043314.db2.gz IUPHHXPGRQOSOB-XJKSGUPXSA-N 0 1 334.416 3.349 20 5 EGBDMN CN(C)Cc1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)ccc1Cl ZINC000337259427 163184203 /nfs/dbraw/zinc/18/42/03/163184203.db2.gz VPGCKLMWLOYUMD-UHFFFAOYSA-N 0 1 349.774 3.268 20 5 EGBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCCN(c2ccccc2)CC1 ZINC000338919290 163386347 /nfs/dbraw/zinc/38/63/47/163386347.db2.gz GFJVDRDMLHRKQH-UHFFFAOYSA-N 0 1 327.384 3.013 20 5 EGBDMN CCN(C)[C@@H](C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000343771163 164031018 /nfs/dbraw/zinc/03/10/18/164031018.db2.gz SUIIIEHRAORVQP-RDTXWAMCSA-N 0 1 341.411 3.465 20 5 EGBDMN C[C@H](NCc1c([N+](=O)[O-])ncn1C)c1ccc(F)c2ccccc21 ZINC000344061296 164094242 /nfs/dbraw/zinc/09/42/42/164094242.db2.gz MQUDEEJVYHQVOJ-NSHDSACASA-N 0 1 328.347 3.471 20 5 EGBDMN O=C(CNc1ccccc1[N+](=O)[O-])Nc1cc(Cl)c(O)cc1F ZINC000345599894 164224066 /nfs/dbraw/zinc/22/40/66/164224066.db2.gz CXVIDRQXEDYQAF-UHFFFAOYSA-N 0 1 339.710 3.144 20 5 EGBDMN Cc1[nH]nc(C(=O)N2CC=C(c3cccc4ccccc43)C2)c1[N+](=O)[O-] ZINC000355003441 166083614 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O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@@H](N2CC=CC2)C1 ZINC000266269001 275033181 /nfs/dbraw/zinc/03/31/81/275033181.db2.gz QPWFTBMMMONWNI-GFCCVEGCSA-N 0 1 327.306 3.064 20 5 EGBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cc([N+](=O)[O-])ccc3C)n2)cc1 ZINC000111073126 275182411 /nfs/dbraw/zinc/18/24/11/275182411.db2.gz ZEFUESODSALQQI-UHFFFAOYSA-N 0 1 337.339 3.249 20 5 EGBDMN COC[C@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000289442099 276339534 /nfs/dbraw/zinc/33/95/34/276339534.db2.gz TYGIGPPHXKVPAP-STQMWFEESA-N 0 1 349.214 3.185 20 5 EGBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000289783387 276393936 /nfs/dbraw/zinc/39/39/36/276393936.db2.gz RRLCKZVVXLDGFU-VFQAQYNWSA-N 0 1 344.333 3.387 20 5 EGBDMN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000194467667 302039181 /nfs/dbraw/zinc/03/91/81/302039181.db2.gz PABGELPCGSLOHD-MRXNPFEDSA-N 0 1 345.374 3.075 20 5 EGBDMN Cc1nc(N2CCN(Cc3ccccc3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000413527461 309035968 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O=[N+]([O-])c1cccc(-c2cnc(CCN3CCOC4(CCC4)C3)o2)c1 ZINC000154199308 224217048 /nfs/dbraw/zinc/21/70/48/224217048.db2.gz WOJVORNRROFICU-UHFFFAOYSA-N 0 1 343.383 3.047 20 5 EGBDMN C[C@@H](c1ccncc1)N1CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC000119256019 221277626 /nfs/dbraw/zinc/27/76/26/221277626.db2.gz QPTNNDJEUFBHNP-ZDUSSCGKSA-N 0 1 327.388 3.022 20 5 EGBDMN Cc1cc2cc[nH]c2cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000408515798 257982883 /nfs/dbraw/zinc/98/28/83/257982883.db2.gz QOINEMIAPIOVQK-UHFFFAOYSA-N 0 1 331.353 3.185 20 5 EGBDMN COc1ccc(CN2CC[C@]3(C2)OCc2ccccc23)cc1[N+](=O)[O-] ZINC000186443654 144134095 /nfs/dbraw/zinc/13/40/95/144134095.db2.gz KHPDHFBENVUQTR-LJQANCHMSA-N 0 1 340.379 3.235 20 5 EGBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCO[C@H](CCc2ccccc2)C1 ZINC000351579429 144283291 /nfs/dbraw/zinc/28/32/91/144283291.db2.gz JABPZECCAWTOHS-GOSISDBHSA-N 0 1 342.395 3.134 20 5 EGBDMN COc1cc(CN2CCC[C@]2(CO)CC(C)C)c([N+](=O)[O-])cc1F ZINC000191672217 153215071 /nfs/dbraw/zinc/21/50/71/153215071.db2.gz 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QFWFCTHSCIQBMP-XHSDSOJGSA-N 0 1 343.383 3.153 20 5 EGBDMN Cc1ccc(C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000285798227 455918760 /nfs/dbraw/zinc/91/87/60/455918760.db2.gz MLAJNGZPHSGWRZ-UHFFFAOYSA-N 0 1 345.399 3.090 20 5 EGBDMN Cc1ccc(C(=O)N(C)CCCN(C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000285798227 455918768 /nfs/dbraw/zinc/91/87/68/455918768.db2.gz MLAJNGZPHSGWRZ-UHFFFAOYSA-N 0 1 345.399 3.090 20 5 EGBDMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000272479682 455964973 /nfs/dbraw/zinc/96/49/73/455964973.db2.gz MBHGWEVUCMMTSR-UKRRQHHQSA-N 0 1 349.431 3.330 20 5 EGBDMN CC1(C)C[C@@H](NCc2n[nH]c(C3CC3)n2)c2cc([N+](=O)[O-])ccc21 ZINC000296608757 455986803 /nfs/dbraw/zinc/98/68/03/455986803.db2.gz WEDNFSQQERZQNG-CQSZACIVSA-N 0 1 327.388 3.103 20 5 EGBDMN CC[C@@H](C)N1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000296658209 456002996 /nfs/dbraw/zinc/00/29/96/456002996.db2.gz GCJZYMRLWYNIPR-LLVKDONJSA-N 0 1 340.811 3.196 20 5 EGBDMN 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COc1cc([C@@H](C)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)ccn1 ZINC000340899631 456747796 /nfs/dbraw/zinc/74/77/96/456747796.db2.gz NYRJBVMAJXHWGR-GFCCVEGCSA-N 0 1 338.367 3.450 20 5 EGBDMN COc1cc(CN(C)[C@H]2C[C@](C)(OC)C2(C)C)c([N+](=O)[O-])cc1F ZINC000341274590 456830431 /nfs/dbraw/zinc/83/04/31/456830431.db2.gz GEAHZRWUTMFDMP-RDJZCZTQSA-N 0 1 340.395 3.378 20 5 EGBDMN C/C=C\C[C@@H](CO)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000349852926 457079990 /nfs/dbraw/zinc/07/99/90/457079990.db2.gz QXESGRJTIIZLIC-ZRMMWKCHSA-N 0 1 333.413 3.135 20 5 EGBDMN CCCCO[C@@H]1C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1(C)C ZINC000356619021 457086291 /nfs/dbraw/zinc/08/62/91/457086291.db2.gz KPWFZPITELKUAD-HUUCEWRRSA-N 0 1 336.388 3.014 20 5 EGBDMN C[C@H]1CN(c2ncccc2[N+](=O)[O-])[C@@H](C)CN1Cc1ccccc1 ZINC000346678180 457107702 /nfs/dbraw/zinc/10/77/02/457107702.db2.gz WUDLEBXWSBMHNF-GJZGRUSLSA-N 0 1 326.400 3.089 20 5 EGBDMN O=[N+]([O-])c1cccc(-c2nc(Cc3nnc(-c4ccccc4)[nH]3)no2)c1 ZINC000356730691 457138668 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347.415 3.052 20 5 EGBDMN Cc1c(NC(=O)[C@H](C)N2CC[C@@H](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000591063040 459303215 /nfs/dbraw/zinc/30/32/15/459303215.db2.gz HJELWNOGMOMLHV-DZGCQCFKSA-N 0 1 331.416 3.352 20 5 EGBDMN CC[C@@H]1CCC[C@H](C)N1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000595868245 459468056 /nfs/dbraw/zinc/46/80/56/459468056.db2.gz VDJHGJXPRULCPZ-QWHCGFSZSA-N 0 1 335.404 3.195 20 5 EGBDMN CC(C)(C)N1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000596336651 459600072 /nfs/dbraw/zinc/60/00/72/459600072.db2.gz RFTPNNWPWJROHF-SECBINFHSA-N 0 1 343.225 3.037 20 5 EGBDMN CC(C)C[N@H+]1CCCC[C@H]1CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000592976153 459725882 /nfs/dbraw/zinc/72/58/82/459725882.db2.gz QUSTXEDZTVKZDJ-AWEZNQCLSA-N 0 1 335.404 3.215 20 5 EGBDMN CCc1[nH]nc(C(=O)N(C)[C@H]2CCCc3ccccc32)c1[N+](=O)[O-] ZINC000608866117 459890931 /nfs/dbraw/zinc/89/09/31/459890931.db2.gz HTLQZYKOXIWSLJ-AWEZNQCLSA-N 0 1 328.372 3.030 20 5 EGBDMN CN1CCN(c2ncc(Cl)cc2[N+](=O)[O-])[C@@H](Cc2ccccc2)C1 ZINC000593502952 459908595 /nfs/dbraw/zinc/90/85/95/459908595.db2.gz GCDLZBGZGOIXOO-HNNXBMFYSA-N 0 1 346.818 3.006 20 5 EGBDMN CCS[C@H]1CCCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593736302 459967212 /nfs/dbraw/zinc/96/72/12/459967212.db2.gz AJPZAWIAFJPICT-AWEZNQCLSA-N 0 1 338.429 3.401 20 5 EGBDMN CCOc1cc(C[N@@H+](CC(=O)[O-])C2CCCCC2)ccc1[N+](=O)[O-] ZINC000593745967 459972313 /nfs/dbraw/zinc/97/23/13/459972313.db2.gz FGDFGNRFXUQPSQ-UHFFFAOYSA-N 0 1 336.388 3.213 20 5 EGBDMN O=C(CN1CCC2(CCCC2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000575837789 460013166 /nfs/dbraw/zinc/01/31/66/460013166.db2.gz OMZJTGKSADRBIZ-UHFFFAOYSA-N 0 1 343.427 3.140 20 5 EGBDMN O=[N+]([O-])c1sc(CNCCOCC2CCC2)cc1Br ZINC000602615570 460024954 /nfs/dbraw/zinc/02/49/54/460024954.db2.gz FVFXAIRIZYBKRO-UHFFFAOYSA-N 0 1 349.250 3.325 20 5 EGBDMN C[C@@H]1CN(CCCNc2ccc(C(F)F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000589102996 460030111 /nfs/dbraw/zinc/03/01/11/460030111.db2.gz KTCQGYFSXZNAJI-TXEJJXNPSA-N 0 1 343.374 3.444 20 5 EGBDMN CCN1C[C@H](CN(C)Cc2ccc([N+](=O)[O-])cc2)Oc2ccccc21 ZINC000610183144 460076520 /nfs/dbraw/zinc/07/65/20/460076520.db2.gz RPAQJRGRMBQSFT-KRWDZBQOSA-N 0 1 341.411 3.314 20 5 EGBDMN Cc1ccc([C@H]2C[C@H](C)CCN2CCn2c(C)ncc2[N+](=O)[O-])o1 ZINC000602788462 460126491 /nfs/dbraw/zinc/12/64/91/460126491.db2.gz XVUDXYYFFBITMD-IUODEOHRSA-N 0 1 332.404 3.474 20 5 EGBDMN Cc1c([C@@H](C)N[C@H]2Cc3ccccc3NC2=O)cccc1[N+](=O)[O-] ZINC000599073677 460151676 /nfs/dbraw/zinc/15/16/76/460151676.db2.gz HBGPZWAFIQALFX-WBMJQRKESA-N 0 1 325.368 3.117 20 5 EGBDMN Cc1ccc([C@H](C)N[C@@H]2Cc3ccccc3NC2=O)cc1[N+](=O)[O-] ZINC000599073459 460152647 /nfs/dbraw/zinc/15/26/47/460152647.db2.gz DRCOOCQGLOPWAK-BLLLJJGKSA-N 0 1 325.368 3.117 20 5 EGBDMN COc1ccccc1[C@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000610447796 460154342 /nfs/dbraw/zinc/15/43/42/460154342.db2.gz BEBXBKWHSAYONM-MRXNPFEDSA-N 0 1 330.388 3.027 20 5 EGBDMN COc1ccc(-c2ccc(CN3CCCOC[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000611272419 460323902 /nfs/dbraw/zinc/32/39/02/460323902.db2.gz JJNIRJKVJPWYFI-CYBMUJFWSA-N 0 1 346.383 3.474 20 5 EGBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](c2ccnc(C)n2)C1 ZINC000603834173 460344803 /nfs/dbraw/zinc/34/48/03/460344803.db2.gz JZDDSEKNLNDMRQ-AWEZNQCLSA-N 0 1 342.399 3.081 20 5 EGBDMN C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611561764 460400338 /nfs/dbraw/zinc/40/03/38/460400338.db2.gz JZWFHJPEVCCNOT-SCZZXKLOSA-N 0 1 332.278 3.103 20 5 EGBDMN O=C(CNC1(c2ccc(F)cc2)CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000604564788 460449087 /nfs/dbraw/zinc/44/90/87/460449087.db2.gz FLKSZFOBBKXIAZ-UHFFFAOYSA-N 0 1 343.358 3.341 20 5 EGBDMN Cc1c([C@H](C)N[C@H](C)C(=O)NCc2ccccc2)cccc1[N+](=O)[O-] ZINC000177944576 533955421 /nfs/dbraw/zinc/95/54/21/533955421.db2.gz QCJRISPMSCTAOJ-LSDHHAIUSA-N 0 1 341.411 3.259 20 5 EGBDMN Cc1ccc(CNC(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000181817779 533989426 /nfs/dbraw/zinc/98/94/26/533989426.db2.gz PPLMYEHNXSEEJP-OAHLLOKOSA-N 0 1 341.411 3.179 20 5 EGBDMN CC(=O)c1cc(NCCN(C)Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000342793332 534822513 /nfs/dbraw/zinc/82/25/13/534822513.db2.gz YZCWZWYMSLMBLH-UHFFFAOYSA-N 0 1 345.374 3.480 20 5 EGBDMN CC(C)(NCCn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1F ZINC000186890678 527292887 /nfs/dbraw/zinc/29/28/87/527292887.db2.gz MLCCCJRDJXRWEC-UHFFFAOYSA-N 0 1 326.759 3.109 20 5 EGBDMN CC(C)C(=O)NCCN(C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000180838540 527498794 /nfs/dbraw/zinc/49/87/94/527498794.db2.gz GJBJJAFKFQOYGS-UHFFFAOYSA-N 0 1 345.399 3.059 20 5 EGBDMN CCC[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000132257487 527786210 /nfs/dbraw/zinc/78/62/10/527786210.db2.gz BZLIODBCZCSRAA-MRXNPFEDSA-N 0 1 345.399 3.293 20 5 EGBDMN CCN(C)[C@@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000171477138 527859451 /nfs/dbraw/zinc/85/94/51/527859451.db2.gz UMIKZBLKARVLLQ-GOSISDBHSA-N 0 1 341.411 3.246 20 5 EGBDMN CCOC[C@H](N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000189818275 528994417 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EGBDMN Cc1cc(C(=O)O[C@@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000731918826 575220484 /nfs/dbraw/zinc/22/04/84/575220484.db2.gz XXNCCFJPOONVEL-QGZVFWFLSA-N 0 1 340.379 3.335 20 5 EGBDMN CC[C@@H]1CCCC[N@H+]1CCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000736939936 576063024 /nfs/dbraw/zinc/06/30/24/576063024.db2.gz DILBDPPGNIWOEN-SOIVGHGOSA-N 0 1 347.415 3.369 20 5 EGBDMN O=C([O-])[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000263380823 604528515 /nfs/dbraw/zinc/52/85/15/604528515.db2.gz BOQYPOJGVGOEOC-AWEZNQCLSA-N 0 1 332.381 3.372 20 5 EGBDMN COc1ccccc1OCCN(C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000091899831 1292847662 /nfs/dbraw/zinc/84/76/62/1292847662.db2.gz FQOKENMGJVYYHD-UHFFFAOYSA-N 0 1 330.384 3.423 20 5 EGBDMN O=C(O[C@@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000117094609 1293216539 /nfs/dbraw/zinc/21/65/39/1293216539.db2.gz ABPVCMOJIFQGQP-QGZVFWFLSA-N 0 1 326.352 3.026 20 5 EGBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cc1Cl ZINC000120198141 1293310351 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EGBDMN CCc1cccc(NC(=O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000451099940 310160516 /nfs/dbraw/zinc/16/05/16/310160516.db2.gz OBHIIYDRAYBENT-ZDUSSCGKSA-N 0 1 327.384 3.447 20 5 EGBDMN O=[N+]([O-])c1ccc(-c2noc(CN[C@H]3CCC34CCCC4)n2)cc1 ZINC000451455501 310179242 /nfs/dbraw/zinc/17/92/42/310179242.db2.gz JYNAGRZPGJATSS-AWEZNQCLSA-N 0 1 328.372 3.457 20 5 EGBDMN CCO[C@@H]1C[C@H](NCc2c(F)cc([N+](=O)[O-])cc2F)C12CCC2 ZINC000451477391 310180227 /nfs/dbraw/zinc/18/02/27/310180227.db2.gz HTOJVWHQZGSHBU-LSDHHAIUSA-N 0 1 326.343 3.310 20 5 EGBDMN CCCCNC(=O)[C@@H](C)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451542785 310184162 /nfs/dbraw/zinc/18/41/62/310184162.db2.gz AFJCVPGEWYWVPL-ZBFHGGJFSA-N 0 1 333.432 3.079 20 5 EGBDMN C[C@@H](C(=O)N1CCCCC1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547141 310184998 /nfs/dbraw/zinc/18/49/98/310184998.db2.gz KIKYXZGRPSISAN-DOTOQJQBSA-N 0 1 345.443 3.175 20 5 EGBDMN C[C@@H](C(=O)NC1CCCC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547650 310185066 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3.224 20 5 EGBDMN CCc1ccc(C(=O)N2CCN(CCC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000471789147 310747030 /nfs/dbraw/zinc/74/70/30/310747030.db2.gz CRMWUPCUAMJWOF-UHFFFAOYSA-N 0 1 347.459 3.351 20 5 EGBDMN CCN(CCc1ccccc1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000488549172 311070780 /nfs/dbraw/zinc/07/07/80/311070780.db2.gz AELDGYQPTWFNOH-HNNXBMFYSA-N 0 1 341.411 3.486 20 5 EGBDMN CN(C)[C@@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000491026472 311161260 /nfs/dbraw/zinc/16/12/60/311161260.db2.gz UMVGUISZZUGRDG-SBSDFTTDSA-N 0 1 345.424 3.089 20 5 EGBDMN Cc1cc(C2CCN(C(=O)C=Cc3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000492368548 311242887 /nfs/dbraw/zinc/24/28/87/311242887.db2.gz NITKUBNKPVJDJR-AATRIKPKSA-N 0 1 340.383 3.046 20 5 EGBDMN CNC(=O)c1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000532202222 313768645 /nfs/dbraw/zinc/76/86/45/313768645.db2.gz KXPWFUMZRSKNGI-CYBMUJFWSA-N 0 1 327.384 3.114 20 5 EGBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(OC[C@@H]2CCOC2)CC1 ZINC000536372192 314109600 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COc1ccc([N+](=O)[O-])cc1CN(Cc1ccccc1)[C@H](C)CCO ZINC000180974103 455271964 /nfs/dbraw/zinc/27/19/64/455271964.db2.gz XJLPFOLHGQMLIR-OAHLLOKOSA-N 0 1 344.411 3.377 20 5 EGBDMN CCN(Cc1ccccc1)C(=O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173358948 455272695 /nfs/dbraw/zinc/27/26/95/455272695.db2.gz OFMYIUNLRIFGIW-OAHLLOKOSA-N 0 1 341.411 3.294 20 5 EGBDMN CCOc1cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000600673316 460564218 /nfs/dbraw/zinc/56/42/18/460564218.db2.gz BSDPSBYEBFIDTM-QLFBSQMISA-N 0 1 348.399 3.069 20 5 EGBDMN C[C@H](Sc1nnc(C(C)(C)C)[nH]1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000008708797 453224988 /nfs/dbraw/zinc/22/49/88/453224988.db2.gz MTITXQDONSBGIY-VIFPVBQESA-N 0 1 349.416 3.130 20 5 EGBDMN COc1ccccc1[C@H](CNc1ncccc1[N+](=O)[O-])N1CCCC1 ZINC000015128607 453558489 /nfs/dbraw/zinc/55/84/89/453558489.db2.gz FMXMZNBIUSXIKQ-INIZCTEOSA-N 0 1 342.399 3.247 20 5 EGBDMN O=[N+]([O-])c1ccc(NC[C@@H](c2ccco2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000015171806 453560920 /nfs/dbraw/zinc/56/09/20/453560920.db2.gz DQBLNEQWTYHSOF-HNNXBMFYSA-N 0 1 346.343 3.345 20 5 EGBDMN C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@@H]1C(=O)[O-] ZINC000600798975 460610145 /nfs/dbraw/zinc/61/01/45/460610145.db2.gz CPGTYJAWQPCZFQ-LRDDRELGSA-N 0 1 344.367 3.397 20 5 EGBDMN CCN1C[C@H](CN(C)Cc2cccc([N+](=O)[O-])c2)Oc2ccccc21 ZINC000016423451 453606388 /nfs/dbraw/zinc/60/63/88/453606388.db2.gz HFSOWMBGKULXDE-KRWDZBQOSA-N 0 1 341.411 3.314 20 5 EGBDMN Cc1c(NC(=O)CCN2CCc3sccc3C2)cccc1[N+](=O)[O-] ZINC000026343787 453796968 /nfs/dbraw/zinc/79/69/68/453796968.db2.gz YTIAORWUGDOTIX-UHFFFAOYSA-N 0 1 345.424 3.352 20 5 EGBDMN C[C@H](C1CC1)N(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000031653771 453851073 /nfs/dbraw/zinc/85/10/73/453851073.db2.gz UXSCYUKFKKVRBD-SNVBAGLBSA-N 0 1 337.807 3.450 20 5 EGBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCc1ccccc1 ZINC000053047717 453854145 /nfs/dbraw/zinc/85/41/45/453854145.db2.gz WQDZURDCQPLEBT-AWEZNQCLSA-N 0 1 327.384 3.096 20 5 EGBDMN COc1ccc(CN2CCCN(c3ccc([N+](=O)[O-])s3)CC2)cc1 ZINC000054389681 453927372 /nfs/dbraw/zinc/92/73/72/453927372.db2.gz WXJAGXMWULEZRP-UHFFFAOYSA-N 0 1 347.440 3.377 20 5 EGBDMN C[C@@H](N[C@@H](C)C(=O)Nc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000056196937 454043661 /nfs/dbraw/zinc/04/36/61/454043661.db2.gz GEGZNZVIOROEMG-NEPJUHHUSA-N 0 1 331.347 3.412 20 5 EGBDMN CCc1c(NC(=O)c2csc([N+](=O)[O-])c2)[nH]nc1-c1ccncc1 ZINC000076879846 454045556 /nfs/dbraw/zinc/04/55/56/454045556.db2.gz VNCBASLYUNFXPY-UHFFFAOYSA-N 0 1 343.368 3.256 20 5 EGBDMN CCCc1ccc([C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C(C)C)cc1 ZINC000119360984 454188962 /nfs/dbraw/zinc/18/89/62/454188962.db2.gz XYIXBMRQRMCNTO-HNNXBMFYSA-N 0 1 330.388 3.398 20 5 EGBDMN O=[N+]([O-])c1ccc(-c2nc(CN(C[C@@H]3CCOC3)C3CC3)co2)cc1 ZINC000089885886 454225603 /nfs/dbraw/zinc/22/56/03/454225603.db2.gz HNTGEMRZVWTIDN-ZDUSSCGKSA-N 0 1 343.383 3.251 20 5 EGBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1ccccc1C ZINC000120511826 454312688 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O=[N+]([O-])c1ccccc1/C=C/CN1CCC(OC[C@H]2CCCO2)CC1 ZINC000092661438 454604066 /nfs/dbraw/zinc/60/40/66/454604066.db2.gz UHXXEDAVEBEWMC-HNSSHINMSA-N 0 1 346.427 3.268 20 5 EGBDMN COc1ccc(CN(C)CCOc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000051455028 454626535 /nfs/dbraw/zinc/62/65/35/454626535.db2.gz NVBPXGPFNLWPBG-UHFFFAOYSA-N 0 1 346.383 3.123 20 5 EGBDMN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)CCC1CC1 ZINC000135287262 454659035 /nfs/dbraw/zinc/65/90/35/454659035.db2.gz FMJVXGQASHOYBA-JTQLQIEISA-N 0 1 325.796 3.307 20 5 EGBDMN COc1cc(S(=O)(=O)Nc2c(C)cccc2C)ccc1[N+](=O)[O-] ZINC000124385729 454727190 /nfs/dbraw/zinc/72/71/90/454727190.db2.gz RAUFEYPUUQCRTA-UHFFFAOYSA-N 0 1 336.369 3.021 20 5 EGBDMN C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@H](c2ccsc2)O1 ZINC000093768749 454734443 /nfs/dbraw/zinc/73/44/43/454734443.db2.gz CNHZDIYHGBIAEU-BDJLRTHQSA-N 0 1 334.397 3.324 20 5 EGBDMN CCS[C@@H]1CCC[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000176702023 454773345 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332.429 3.120 20 5 EGBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)[C@@H]1OCCc2sccc21 ZINC000292363996 276779631 /nfs/dbraw/zinc/77/96/31/276779631.db2.gz IJKGLEIMRMQJPK-DIFFPNOSSA-N 0 1 348.424 3.457 20 5 EGBDMN CC(C)Oc1ccc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC000293828969 308165915 /nfs/dbraw/zinc/16/59/15/308165915.db2.gz SHSQNPWAESDJHG-LBPRGKRZSA-N 0 1 330.388 3.210 20 5 EGBDMN CN(C)C(=O)C1(NCc2ccc(Cl)c([N+](=O)[O-])c2)CCCCC1 ZINC000295091240 308290049 /nfs/dbraw/zinc/29/00/49/308290049.db2.gz TVIAJIJLIRGAGK-UHFFFAOYSA-N 0 1 339.823 3.129 20 5 EGBDMN CC(C)c1nc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)n[nH]1 ZINC000417349324 309202602 /nfs/dbraw/zinc/20/26/02/309202602.db2.gz KSSUSMZKYBSSDN-HNNXBMFYSA-N 0 1 329.404 3.394 20 5 EGBDMN Cc1ccc([C@H](C)NCc2ccccc2C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000417965069 309229808 /nfs/dbraw/zinc/22/98/08/309229808.db2.gz QZHKOOFBRISGJM-AWEZNQCLSA-N 0 1 341.411 3.456 20 5 EGBDMN COC1(C(F)(F)F)CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000419332354 309264756 /nfs/dbraw/zinc/26/47/56/309264756.db2.gz RCSCAYYYAPDCOH-UHFFFAOYSA-N 0 1 348.321 3.017 20 5 EGBDMN CSc1cccc(-c2nc(C3(N)CCCCC3)no2)c1[N+](=O)[O-] ZINC000424345691 309439876 /nfs/dbraw/zinc/43/98/76/309439876.db2.gz NFHQRQHORIUECD-UHFFFAOYSA-N 0 1 334.401 3.485 20 5 EGBDMN O=[N+]([O-])c1ccc(O)cc1CSc1nnc(C2CC2)n1C1CC1 ZINC000436474387 309756436 /nfs/dbraw/zinc/75/64/36/309756436.db2.gz LLDIMNZONOEIIS-UHFFFAOYSA-N 0 1 332.385 3.397 20 5 EGBDMN O=[N+]([O-])c1cccc(NS(=O)(=O)c2cnc3ccc(F)cc3c2)c1 ZINC000436477208 309756604 /nfs/dbraw/zinc/75/66/04/309756604.db2.gz HTAQWDUQCHADEG-UHFFFAOYSA-N 0 1 347.327 3.083 20 5 EGBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H](C)c1nnc2n1CCCCC2 ZINC000449076909 310035208 /nfs/dbraw/zinc/03/52/08/310035208.db2.gz UUQJOKOPFJRCKO-ZIAGYGMSSA-N 0 1 343.431 3.195 20 5 EGBDMN CC(C)c1nc2n(n1)CCC[C@H]2N[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449193348 310043584 /nfs/dbraw/zinc/04/35/84/310043584.db2.gz NGOVPFBDSRTBNA-DZGCQCFKSA-N 0 1 343.431 3.365 20 5 EGBDMN C[C@H](N[C@H]1CCCN(CC(C)(C)C)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000451103367 310160773 /nfs/dbraw/zinc/16/07/73/310160773.db2.gz NKDJYYDBXGWTII-BBRMVZONSA-N 0 1 333.432 3.283 20 5 EGBDMN CC(C)N(C)C(=O)[C@H](C)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549219 310185436 /nfs/dbraw/zinc/18/54/36/310185436.db2.gz PFIVNMKINDJHKE-GOEBONIOSA-N 0 1 333.432 3.030 20 5 EGBDMN CCN(CCNc1ncc(Cl)cc1[N+](=O)[O-])CCC(F)(F)F ZINC000491583368 311185633 /nfs/dbraw/zinc/18/56/33/311185633.db2.gz IWKCZBNBRFLQFF-UHFFFAOYSA-N 0 1 340.733 3.329 20 5 EGBDMN CCOC(=O)N(C)C1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000491759805 311188727 /nfs/dbraw/zinc/18/87/27/311188727.db2.gz SUPASFLBARALMU-CYBMUJFWSA-N 0 1 335.404 3.209 20 5 EGBDMN CC(=O)c1ccccc1OCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511139685 312155523 /nfs/dbraw/zinc/15/55/23/312155523.db2.gz RCXOQJNQFWKTJW-UHFFFAOYSA-N 0 1 342.395 3.351 20 5 EGBDMN CC(=O)c1ccccc1OCCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000511139685 312155525 /nfs/dbraw/zinc/15/55/25/312155525.db2.gz RCXOQJNQFWKTJW-UHFFFAOYSA-N 0 1 342.395 3.351 20 5 EGBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000550073730 315115345 /nfs/dbraw/zinc/11/53/45/315115345.db2.gz WUUOTQIIIRTRKS-ZIAGYGMSSA-N 0 1 331.416 3.352 20 5 EGBDMN COC(=O)CC1(NCc2c(F)cc([N+](=O)[O-])cc2F)CCCCC1 ZINC000551969451 315183432 /nfs/dbraw/zinc/18/34/32/315183432.db2.gz VWJRXBBIAZNTMY-UHFFFAOYSA-N 0 1 342.342 3.229 20 5 EGBDMN CC(=O)c1cc(N(C)Cc2cc(C(C)(C)C)[nH]n2)ccc1[N+](=O)[O-] ZINC000553230254 315251728 /nfs/dbraw/zinc/25/17/28/315251728.db2.gz SSGKZBPWGXBICS-UHFFFAOYSA-N 0 1 330.388 3.454 20 5 EGBDMN C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)Cc1cccc(Cl)c1 ZINC000554251250 315304640 /nfs/dbraw/zinc/30/46/40/315304640.db2.gz MGMWEZMIHBZEKE-QGZVFWFLSA-N 0 1 348.830 3.326 20 5 EGBDMN CCN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)[C@H](C)C(C)C ZINC000565373781 316316520 /nfs/dbraw/zinc/31/65/20/316316520.db2.gz RHKIUFXCSKFYNU-GFCCVEGCSA-N 0 1 330.388 3.492 20 5 EGBDMN Cc1cc(C2CCN(C(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000571035743 317142331 /nfs/dbraw/zinc/14/23/31/317142331.db2.gz HIEMVIXRHBURSD-ZDUSSCGKSA-N 0 1 342.399 3.136 20 5 EGBDMN CN1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000571174316 317162380 /nfs/dbraw/zinc/16/23/80/317162380.db2.gz MZQXQUMVUAHYBI-OAHLLOKOSA-N 0 1 346.818 3.006 20 5 EGBDMN C[C@H](NCC(=O)Nc1cc(F)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000180415876 323439018 /nfs/dbraw/zinc/43/90/18/323439018.db2.gz FJEKDGREYVSEPY-JTQLQIEISA-N 0 1 335.310 3.162 20 5 EGBDMN COCCCCc1noc(-c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)n1 ZINC000351120637 324173855 /nfs/dbraw/zinc/17/38/55/324173855.db2.gz RLIYMYPJHLWICX-UHFFFAOYSA-N 0 1 343.343 3.004 20 5 EGBDMN CCOc1cc(C[N@@H+]2[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000600674953 460565212 /nfs/dbraw/zinc/56/52/12/460565212.db2.gz NDACJEDARVJVDS-DABQJJPHSA-N 0 1 336.388 3.067 20 5 EGBDMN CCOc1ccc(NC(=O)CN(CC(C)C)C2CC2)c([N+](=O)[O-])c1 ZINC000027110336 453811182 /nfs/dbraw/zinc/81/11/82/453811182.db2.gz UROJMKOUTIFDIK-UHFFFAOYSA-N 0 1 335.404 3.052 20 5 EGBDMN Cc1[nH]nc(C(=O)N2CCC[C@H](c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000067190376 453909443 /nfs/dbraw/zinc/90/94/43/453909443.db2.gz BUEFBVINTSXNBI-AWEZNQCLSA-N 0 1 328.372 3.036 20 5 EGBDMN CCN(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccco1 ZINC000067276691 453917433 /nfs/dbraw/zinc/91/74/33/453917433.db2.gz HCPRZSVJGYDWIX-INIZCTEOSA-N 0 1 345.399 3.309 20 5 EGBDMN O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@@H]4CCC[C@@H]43)n2)c1 ZINC000075769430 453926188 /nfs/dbraw/zinc/92/61/88/453926188.db2.gz UOTROFSSKYPMDG-WFASDCNBSA-N 0 1 328.372 3.409 20 5 EGBDMN CN(C)[C@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000086998145 454055245 /nfs/dbraw/zinc/05/52/45/454055245.db2.gz NLUFMTNZJVFKBF-OAHLLOKOSA-N 0 1 347.440 3.008 20 5 EGBDMN Cc1[nH]ncc1CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000069742882 454140011 /nfs/dbraw/zinc/14/00/11/454140011.db2.gz MSJGTQLSVLXXND-UHFFFAOYSA-N 0 1 337.767 3.034 20 5 EGBDMN CCc1nn(C)c(NC[C@H](c2ccc(C)o2)N2CCCC2)c1[N+](=O)[O-] ZINC000094153399 454190005 /nfs/dbraw/zinc/19/00/05/454190005.db2.gz BKFYFEOXYIBUCI-CQSZACIVSA-N 0 1 347.419 3.041 20 5 EGBDMN Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119576591 454205136 /nfs/dbraw/zinc/20/51/36/454205136.db2.gz UWBGKSTWQWVFAM-ZDUSSCGKSA-N 0 1 348.834 3.436 20 5 EGBDMN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCCc1cccs1 ZINC000071902524 454249122 /nfs/dbraw/zinc/24/91/22/454249122.db2.gz NJNFFEDDUDDCPF-CHWSQXEVSA-N 0 1 347.440 3.054 20 5 EGBDMN CCOc1ccc([C@@H](C)N[C@H]2CC(=O)N(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000090177973 454289273 /nfs/dbraw/zinc/28/92/73/454289273.db2.gz CGXKRSSOLJNMQN-OCCSQVGLSA-N 0 1 349.431 3.044 20 5 EGBDMN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1Cl ZINC000090539236 454318937 /nfs/dbraw/zinc/31/89/37/454318937.db2.gz HVWDNYAHPNTCAS-VIFPVBQESA-N 0 1 329.187 3.449 20 5 EGBDMN C[C@H]1CCCN(CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000047147932 454333699 /nfs/dbraw/zinc/33/36/99/454333699.db2.gz WDYOEMFIVHXEDQ-LBPRGKRZSA-N 0 1 347.440 3.271 20 5 EGBDMN CCC[C@@H](NCc1cccc(C(N)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000121227349 454407917 /nfs/dbraw/zinc/40/79/17/454407917.db2.gz CSBMFXCSOWNZTF-QGZVFWFLSA-N 0 1 327.384 3.325 20 5 EGBDMN CCOc1ccc([C@H](C)NCc2cn(C)nc2CC)cc1[N+](=O)[O-] ZINC000091742163 454465854 /nfs/dbraw/zinc/46/58/54/454465854.db2.gz LRZOZWQCCIPUEQ-LBPRGKRZSA-N 0 1 332.404 3.140 20 5 EGBDMN O=[N+]([O-])c1ccc(-c2csc([C@H]3CN4CCC[C@@H]4CO3)n2)cc1 ZINC000102662724 454515173 /nfs/dbraw/zinc/51/51/73/454515173.db2.gz RVCIHMAGIYEKMH-UKRRQHHQSA-N 0 1 331.397 3.254 20 5 EGBDMN Cc1ccc([C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000134205353 454516231 /nfs/dbraw/zinc/51/62/31/454516231.db2.gz GXBAUYIJTSKFML-MRXNPFEDSA-N 0 1 336.351 3.146 20 5 EGBDMN CC(C)C1CCC(N2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)CC1 ZINC000175504166 455455941 /nfs/dbraw/zinc/45/59/41/455455941.db2.gz MNUUICWBPBIVEY-UHFFFAOYSA-N 0 1 349.431 3.160 20 5 EGBDMN O=[N+]([O-])c1ccccc1CN(CCCO)[C@H]1CCc2ccccc21 ZINC000074312643 454561122 /nfs/dbraw/zinc/56/11/22/454561122.db2.gz BINPMCJAGHNEQX-IBGZPJMESA-N 0 1 326.396 3.467 20 5 EGBDMN Cc1c(C(=O)Nc2nc(-c3cccs3)n[nH]2)cccc1[N+](=O)[O-] ZINC000065589849 454597126 /nfs/dbraw/zinc/59/71/26/454597126.db2.gz YSDIEXDQIWCQGZ-UHFFFAOYSA-N 0 1 329.341 3.002 20 5 EGBDMN O=C(NC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)C1CCCCC1 ZINC000065963073 454645702 /nfs/dbraw/zinc/64/57/02/454645702.db2.gz TUFILBPXBUWGCD-UHFFFAOYSA-N 0 1 345.443 3.256 20 5 EGBDMN NC(=O)[C@@H]1CCCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000162000866 454744868 /nfs/dbraw/zinc/74/48/68/454744868.db2.gz YNOQWLULNLAYAG-HNNXBMFYSA-N 0 1 345.424 3.163 20 5 EGBDMN CSCC[C@H](C)N(C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000126655921 454908965 /nfs/dbraw/zinc/90/89/65/454908965.db2.gz WPNWUPKWHQITAI-JTQLQIEISA-N 0 1 345.852 3.260 20 5 EGBDMN O=[N+]([O-])c1cccc(CNC[C@@](O)(c2ccccc2)C(F)(F)F)c1 ZINC000170790875 454977670 /nfs/dbraw/zinc/97/76/70/454977670.db2.gz ACITZFYITKRTER-OAHLLOKOSA-N 0 1 340.301 3.135 20 5 EGBDMN O=[N+]([O-])c1cccc(CNC[C@](O)(c2ccccc2)C(F)(F)F)c1 ZINC000170790874 454978150 /nfs/dbraw/zinc/97/81/50/454978150.db2.gz ACITZFYITKRTER-HNNXBMFYSA-N 0 1 340.301 3.135 20 5 EGBDMN O=[N+]([O-])c1cc(F)c(NC2CCN(Cc3ccncc3)CC2)c(F)c1 ZINC000178869701 454986417 /nfs/dbraw/zinc/98/64/17/454986417.db2.gz QFFXQOIICGAGBN-UHFFFAOYSA-N 0 1 348.353 3.345 20 5 EGBDMN CCc1[nH]nc(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)c1[N+](=O)[O-] ZINC000171277062 455056361 /nfs/dbraw/zinc/05/63/61/455056361.db2.gz JVIBXMUWJHMWGW-HNNXBMFYSA-N 0 1 340.383 3.172 20 5 EGBDMN O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1 ZINC000152271832 455095532 /nfs/dbraw/zinc/09/55/32/455095532.db2.gz NJLVRRFZCDOUCG-OAHLLOKOSA-N 0 1 341.415 3.012 20 5 EGBDMN CCN(CCO)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000158670425 455320316 /nfs/dbraw/zinc/32/03/16/455320316.db2.gz BMHKFZKJFPPPIT-UHFFFAOYSA-N 0 1 334.347 3.340 20 5 EGBDMN C[C@](O)(CNCc1cc(Cl)ccc1[N+](=O)[O-])c1ccsc1 ZINC000265894753 455401195 /nfs/dbraw/zinc/40/11/95/455401195.db2.gz SJGJGVMGNPECOA-AWEZNQCLSA-N 0 1 326.805 3.307 20 5 EGBDMN Cc1cnc([C@@H](C)NCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000185014395 455486747 /nfs/dbraw/zinc/48/67/47/455486747.db2.gz KOCRGBSKLPDKDJ-GFCCVEGCSA-N 0 1 348.428 3.348 20 5 EGBDMN O=C(N[C@H](c1ccc(Cl)cc1)C1CCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000161133058 455538121 /nfs/dbraw/zinc/53/81/21/455538121.db2.gz JZBSQFTXYYFHEF-ZDUSSCGKSA-N 0 1 334.763 3.243 20 5 EGBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)CCc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000277702759 455638597 /nfs/dbraw/zinc/63/85/97/455638597.db2.gz DOVUMNSVHSROQN-VXGBXAGGSA-N 0 1 345.403 3.036 20 5 EGBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000192543229 455638866 /nfs/dbraw/zinc/63/88/66/455638866.db2.gz LIGXVPFVXZIHQU-OLZOCXBDSA-N 0 1 348.424 3.410 20 5 EGBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)[C@@H]1OCCc2sccc21 ZINC000292363999 455641833 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348.399 3.069 20 5 EGBDMN CCOc1ccc([C@H](C)N[C@@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000271110756 456129362 /nfs/dbraw/zinc/12/93/62/456129362.db2.gz HIBWJTDZPYLDJJ-BBRMVZONSA-N 0 1 330.384 3.378 20 5 EGBDMN Cc1cc(N[C@H]2CC(=O)N(C(C)(C)C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302209276 456317868 /nfs/dbraw/zinc/31/78/68/456317868.db2.gz XXXJERFOKURXQP-LBPRGKRZSA-N 0 1 342.399 3.263 20 5 EGBDMN O=[N+]([O-])c1cc(F)ccc1NCc1n[nH]c(COc2ccccc2)n1 ZINC000302230766 456325320 /nfs/dbraw/zinc/32/53/20/456325320.db2.gz BYTYMIIJEGSXSA-UHFFFAOYSA-N 0 1 343.318 3.043 20 5 EGBDMN COCc1cc([N+](=O)[O-])ccc1NCCc1ccc2cn[nH]c2c1 ZINC000343050568 456372617 /nfs/dbraw/zinc/37/26/17/456372617.db2.gz KFQDFVNZIACFMI-UHFFFAOYSA-N 0 1 326.356 3.272 20 5 EGBDMN Cc1cnn([C@H]2CCN(c3cc(C)nc4ccc([N+](=O)[O-])cc43)C2)c1 ZINC000290901523 456462548 /nfs/dbraw/zinc/46/25/48/456462548.db2.gz VDUWMROLVMYUCO-HNNXBMFYSA-N 0 1 337.383 3.408 20 5 EGBDMN COc1ccc(CNCc2c[nH]nc2-c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000340441709 456465335 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Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000274243895 267205750 /nfs/dbraw/zinc/20/57/50/267205750.db2.gz GSTLJNSDLQWVTE-GFCCVEGCSA-N 0 1 329.360 3.134 20 5 EGBDMN COC[C@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCCO1 ZINC000278557248 268038573 /nfs/dbraw/zinc/03/85/73/268038573.db2.gz CAYNMVHLSMCDEN-FUHWJXTLSA-N 0 1 346.383 3.138 20 5 EGBDMN COc1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(OC)c1OC ZINC000178647281 533688167 /nfs/dbraw/zinc/68/81/67/533688167.db2.gz LLOUYWOWDGTUOY-LBPRGKRZSA-N 0 1 346.383 3.471 20 5 EGBDMN COc1ccc(CN(CCO)[C@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000265180057 274108853 /nfs/dbraw/zinc/10/88/53/274108853.db2.gz GILJBVKARYZCHG-KRWDZBQOSA-N 0 1 342.395 3.085 20 5 EGBDMN COc1ccc(CN[C@H]2CCCc3c(O)cccc32)cc1[N+](=O)[O-] ZINC000191665964 274111316 /nfs/dbraw/zinc/11/13/16/274111316.db2.gz BUVFUPLPBWGPLL-HNNXBMFYSA-N 0 1 328.368 3.476 20 5 EGBDMN O=[N+]([O-])c1ccccc1N1CCN(Cc2cccc3cccnc32)CC1 ZINC000057938041 275040225 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Cn1ccnc1[C@@H](NC[C@@H]1CCCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000287079774 276080604 /nfs/dbraw/zinc/08/06/04/276080604.db2.gz OOIGMCZIGNXKIO-BBRMVZONSA-N 0 1 346.456 3.151 20 5 EGBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](OCc2ccncc2)C1 ZINC000287669848 276145694 /nfs/dbraw/zinc/14/56/94/276145694.db2.gz HNYSIQSDWYEPQA-GDBMZVCRSA-N 0 1 327.384 3.342 20 5 EGBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](OCc2ccncc2)C1 ZINC000287669858 276145700 /nfs/dbraw/zinc/14/57/00/276145700.db2.gz HNYSIQSDWYEPQA-HOCLYGCPSA-N 0 1 327.384 3.342 20 5 EGBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(N2CCCCC2=O)CC1 ZINC000182849412 281019461 /nfs/dbraw/zinc/01/94/61/281019461.db2.gz HDSKOWFPLWLHCL-OAHLLOKOSA-N 0 1 345.443 3.441 20 5 EGBDMN CC(C)(C)OC(=O)NC[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000063626693 307355220 /nfs/dbraw/zinc/35/52/20/307355220.db2.gz KUNVAWSRVIWROW-HNNXBMFYSA-N 0 1 349.431 3.332 20 5 EGBDMN CC[C@H](N[C@@H]1CCN(c2ccccc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000090068873 307457645 /nfs/dbraw/zinc/45/76/45/307457645.db2.gz NJTNAFMFONJKLU-ZWKOTPCHSA-N 0 1 339.395 3.441 20 5 EGBDMN Cc1ccnc(C)c1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000414457656 309081393 /nfs/dbraw/zinc/08/13/93/309081393.db2.gz WRQWYDXUEQTSSL-UHFFFAOYSA-N 0 1 335.385 3.024 20 5 EGBDMN Cc1cc(C)c(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c(C)n1 ZINC000414463688 309081884 /nfs/dbraw/zinc/08/18/84/309081884.db2.gz WHMZSLFIUGEQEJ-UHFFFAOYSA-N 0 1 349.412 3.333 20 5 EGBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CCCO[C@@H](CF)C3)o2)cc1 ZINC000414473250 309082626 /nfs/dbraw/zinc/08/26/26/309082626.db2.gz AOJCAXKPLMSFAE-INIZCTEOSA-N 0 1 334.347 3.415 20 5 EGBDMN COc1cccc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1OC ZINC000293779543 308161206 /nfs/dbraw/zinc/16/12/06/308161206.db2.gz QAYIRQNKCBPWCQ-NSHDSACASA-N 0 1 331.372 3.045 20 5 EGBDMN CCc1[nH]nc(C(=O)N2CC3(CCC3)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000293799976 308163172 /nfs/dbraw/zinc/16/31/72/308163172.db2.gz BPRBPXWVZTWEER-MRXNPFEDSA-N 0 1 340.383 3.248 20 5 EGBDMN CC[C@@H]1CC[C@@H](C)N1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000294847272 308263545 /nfs/dbraw/zinc/26/35/45/308263545.db2.gz BSOYUVDESHQHHH-DGCLKSJQSA-N 0 1 328.372 3.388 20 5 EGBDMN CCC(=O)c1ccc(N2CCN(C3CC3)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000294885657 308267827 /nfs/dbraw/zinc/26/78/27/308267827.db2.gz GKKCUFKMJKTEHE-CYBMUJFWSA-N 0 1 331.416 3.108 20 5 EGBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCC[C@H]2CCC[C@H]21 ZINC000295415040 308324601 /nfs/dbraw/zinc/32/46/01/308324601.db2.gz VMQCGNVSYBJXJE-CXAGYDPISA-N 0 1 340.383 3.390 20 5 EGBDMN O=C(NC[C@@H]1CCCCC1(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000295427165 308325814 /nfs/dbraw/zinc/32/58/14/308325814.db2.gz NBGCXWMXMJTYMG-VIFPVBQESA-N 0 1 338.314 3.026 20 5 EGBDMN NC1(c2noc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2)CCCC1 ZINC000414617406 309091781 /nfs/dbraw/zinc/09/17/81/309091781.db2.gz LLPUORLPLYKRDX-UHFFFAOYSA-N 0 1 342.277 3.392 20 5 EGBDMN C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1ccccc1 ZINC000296528428 308437436 /nfs/dbraw/zinc/43/74/36/308437436.db2.gz CSZOXIYQANDQRR-GJZGRUSLSA-N 0 1 341.411 3.293 20 5 EGBDMN COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000296787708 308467286 /nfs/dbraw/zinc/46/72/86/308467286.db2.gz SNNYZDNKUOHWPT-STQMWFEESA-N 0 1 343.383 3.281 20 5 EGBDMN C[C@H](N[C@@H]1CCCN(CC(C)(C)C)C1=O)c1ccccc1[N+](=O)[O-] ZINC000330901016 308800013 /nfs/dbraw/zinc/80/00/13/308800013.db2.gz OXSKHHZSRTXWGG-DZGCQCFKSA-N 0 1 333.432 3.283 20 5 EGBDMN C[C@H](N[C@H]1CCCN(CC(C)(C)C)C1=O)c1ccccc1[N+](=O)[O-] ZINC000330901019 308800079 /nfs/dbraw/zinc/80/00/79/308800079.db2.gz OXSKHHZSRTXWGG-ZFWWWQNUSA-N 0 1 333.432 3.283 20 5 EGBDMN CO[C@@H](CNCc1cc([N+](=O)[O-])ccc1OC(F)F)CC(C)C ZINC000418100690 309235472 /nfs/dbraw/zinc/23/54/72/309235472.db2.gz PCBVIOUKGXWCGZ-CYBMUJFWSA-N 0 1 332.347 3.347 20 5 EGBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)n[nH]1 ZINC000421898557 309345752 /nfs/dbraw/zinc/34/57/52/309345752.db2.gz SZPXZPLDVHIGJM-JOYOIKCWSA-N 0 1 345.403 3.334 20 5 EGBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H](CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000421967994 309348609 /nfs/dbraw/zinc/34/86/09/309348609.db2.gz QTGZWPMJZTWTEV-SECBINFHSA-N 0 1 348.325 3.246 20 5 EGBDMN Cc1cc(N[C@H]2Cc3cccc(O)c3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000428678178 309558619 /nfs/dbraw/zinc/55/86/19/309558619.db2.gz GNPDGTMGCMSHNX-ZDUSSCGKSA-N 0 1 335.363 3.158 20 5 EGBDMN Cc1ccccc1OC[C@@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429260321 309575762 /nfs/dbraw/zinc/57/57/62/309575762.db2.gz LVYDHIVGEPRLFB-HNNXBMFYSA-N 0 1 344.411 3.168 20 5 EGBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](CO)c1c(F)cccc1F ZINC000449144241 310040250 /nfs/dbraw/zinc/04/02/50/310040250.db2.gz SEJOAJJLXGJHON-NHYWBVRUSA-N 0 1 336.338 3.127 20 5 EGBDMN C[C@H](c1ccccc1)[C@@H](O)CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000450483525 310125382 /nfs/dbraw/zinc/12/53/82/310125382.db2.gz IWRWCZMGWZHOTJ-KUHUBIRLSA-N 0 1 326.396 3.118 20 5 EGBDMN CCc1nc(CNc2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])n[nH]1 ZINC000450553460 310129802 /nfs/dbraw/zinc/12/98/02/310129802.db2.gz QMYOCXPDUHOYBC-UHFFFAOYSA-N 0 1 329.282 3.215 20 5 EGBDMN CCN(C(=O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000451098020 310160315 /nfs/dbraw/zinc/16/03/15/310160315.db2.gz GPRIIDYEAWQIQL-AWEZNQCLSA-N 0 1 333.432 3.427 20 5 EGBDMN CC[C@H]1CCCCN1C(=O)[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451099716 310160563 /nfs/dbraw/zinc/16/05/63/310160563.db2.gz NAHHXZBTQPQHTO-DZKIICNBSA-N 0 1 333.432 3.425 20 5 EGBDMN COc1c(C)cnc(CN(C)CCOc2cccc([N+](=O)[O-])c2)c1C ZINC000451370500 310174652 /nfs/dbraw/zinc/17/46/52/310174652.db2.gz CASYEFPJRGZYFX-UHFFFAOYSA-N 0 1 345.399 3.126 20 5 EGBDMN CCO[C@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000451545512 310184746 /nfs/dbraw/zinc/18/47/46/310184746.db2.gz RENIXRKYWUIRQH-DYVFJYSZSA-N 0 1 345.399 3.497 20 5 EGBDMN C[C@H](C(=O)NC(C)(C)C)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550809 310185465 /nfs/dbraw/zinc/18/54/65/310185465.db2.gz SBBLFVRRNIYPBO-HIFRSBDPSA-N 0 1 333.432 3.077 20 5 EGBDMN CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H](CO)CC(C)(C)C ZINC000451785182 310197161 /nfs/dbraw/zinc/19/71/61/310197161.db2.gz FPOOWSCQXOZYAD-INIZCTEOSA-N 0 1 347.415 3.479 20 5 EGBDMN CC(C)[C@H]1N(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC1(C)C ZINC000452409777 310226319 /nfs/dbraw/zinc/22/63/19/310226319.db2.gz RLITWVPEYAODAR-MRXNPFEDSA-N 0 1 342.399 3.492 20 5 EGBDMN CC(C)[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H]1C(C)C ZINC000456307030 310397560 /nfs/dbraw/zinc/39/75/60/310397560.db2.gz XVLOPHXCAARECH-BBRMVZONSA-N 0 1 330.388 3.224 20 5 EGBDMN Cc1[nH]ncc1C1CCN(C(=O)C=Cc2ccccc2[N+](=O)[O-])CC1 ZINC000492928146 311308250 /nfs/dbraw/zinc/30/82/50/311308250.db2.gz NPHGABACBHNTHE-SREVYHEPSA-N 0 1 340.383 3.046 20 5 EGBDMN C[C@@H](C(=O)NC[C@H](c1cccs1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000514770844 312244308 /nfs/dbraw/zinc/24/43/08/312244308.db2.gz RAMHVLYNTXWNHC-IUODEOHRSA-N 0 1 347.440 3.179 20 5 EGBDMN COCC1(NCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 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C[C@@H](N[C@H]1CCN(Cc2ccccc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000266921162 455475973 /nfs/dbraw/zinc/47/59/73/455475973.db2.gz YQEPIVNMDNZGCU-KDOFPFPSSA-N 0 1 339.395 3.047 20 5 EGBDMN CCS(=O)(=O)c1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000182336221 455491761 /nfs/dbraw/zinc/49/17/61/455491761.db2.gz DDPXBNOKCGFDHP-ZDUSSCGKSA-N 0 1 348.424 3.239 20 5 EGBDMN O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000161089837 455531974 /nfs/dbraw/zinc/53/19/74/455531974.db2.gz RTODVXYQFCDCKV-AWEZNQCLSA-N 0 1 332.335 3.118 20 5 EGBDMN C[C@H](N[C@H]1CCN(Cc2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000271419853 455630323 /nfs/dbraw/zinc/63/03/23/455630323.db2.gz BMEHQXKKBUQFGY-KSSFIOAISA-N 0 1 339.395 3.047 20 5 EGBDMN CCc1[nH]nc(C(=O)N2[C@H](C)C[C@@H](c3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000292534975 455690010 /nfs/dbraw/zinc/69/00/10/455690010.db2.gz CPZRIFMZGKYWLH-MBNYWOFBSA-N 0 1 342.399 3.287 20 5 EGBDMN Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCCc3cn[nH]c32)cc1[N+](=O)[O-] ZINC000268914956 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3.429 20 5 EGBDMN O=C(Nc1cc(-n2cccc2)ccc1F)c1cc(O)cc([N+](=O)[O-])c1 ZINC001320371696 1386590694 /nfs/dbraw/zinc/59/06/94/1386590694.db2.gz SRBAKDPWGCIIEF-UHFFFAOYSA-N 0 1 341.298 3.483 20 5 EGBDMN CC(C)(C)/C=C/C(=O)NCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001753152866 1440329283 /nfs/dbraw/zinc/32/92/83/1440329283.db2.gz QGQDJLUFVTWFAU-ZHACJKMWSA-N 0 1 345.443 3.278 20 5 EGBDMN O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000901554048 956339372 /nfs/dbraw/zinc/33/93/72/956339372.db2.gz VFINHIUNKHGHOL-NSHDSACASA-N 0 1 326.780 3.325 20 5 EGBDMN O=C([O-])CC[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000263070536 962212730 /nfs/dbraw/zinc/21/27/30/962212730.db2.gz GPWZFMDRRHFHHK-LLVKDONJSA-N 0 1 326.780 3.325 20 5 EGBDMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001603369164 972892934 /nfs/dbraw/zinc/89/29/34/972892934.db2.gz XFKYQOWAYYCSFU-MWLCHTKSSA-N 0 1 346.305 3.156 20 5 EGBDMN 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EGBDMN O=[N+]([O-])c1cnc(N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)nc1 ZINC000354592314 285173296 /nfs/dbraw/zinc/17/32/96/285173296.db2.gz XJTBKZLNHNCCPP-CYBMUJFWSA-N 0 1 344.762 3.256 20 5 EGBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2CCSC[C@H]2c2ccccc2)c1 ZINC000154310774 224235662 /nfs/dbraw/zinc/23/56/62/224235662.db2.gz DSAJYAYKVBYTBF-ROUUACIJSA-N 0 1 344.436 3.418 20 5 EGBDMN CCOC(=O)C[C@](C)(NCc1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000186693938 144141023 /nfs/dbraw/zinc/14/10/23/144141023.db2.gz JIEFFRQVGPSBPH-INIZCTEOSA-N 0 1 326.368 3.191 20 5 EGBDMN Cc1noc([C@H](C)N[C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000361600092 144335543 /nfs/dbraw/zinc/33/55/43/144335543.db2.gz BCTKAAPJAXAYGE-WHOFXGATSA-N 0 1 330.388 3.348 20 5 EGBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cccc(Cl)c3)C2)nc1 ZINC000118866818 152158161 /nfs/dbraw/zinc/15/81/61/152158161.db2.gz DBLGOHBFSUCVHS-CQSZACIVSA-N 0 1 332.791 3.330 20 5 EGBDMN C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cn1 ZINC000189759277 153094902 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Cc1c(C(=O)Nc2ccc3nc(N(C)C)[nH]c3c2)cccc1[N+](=O)[O-] ZINC000344081183 164098781 /nfs/dbraw/zinc/09/87/81/164098781.db2.gz GYOBHOSTZJRUFX-UHFFFAOYSA-N 0 1 339.355 3.098 20 5 EGBDMN CCN1C[C@@H](C)N(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C[C@@H]1C ZINC000355256061 166148788 /nfs/dbraw/zinc/14/87/88/166148788.db2.gz QJRTZCZJCAVPEZ-UONOGXRCSA-N 0 1 333.432 3.075 20 5 EGBDMN CCOc1ccc([C@H](C)NCc2cnc3n2CCCC3)cc1[N+](=O)[O-] ZINC000367439879 168225891 /nfs/dbraw/zinc/22/58/91/168225891.db2.gz XZLLYFVXKHEBOF-ZDUSSCGKSA-N 0 1 344.415 3.377 20 5 EGBDMN CC[C@H](c1ccncc1)N(CC)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269497889 266306227 /nfs/dbraw/zinc/30/62/27/266306227.db2.gz MQRPVXJNOPAMEP-CYBMUJFWSA-N 0 1 345.403 3.450 20 5 EGBDMN COc1ccc2c(c1)CCCCN2C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274760865 267282148 /nfs/dbraw/zinc/28/21/48/267282148.db2.gz GUZOXVOXXUMUMM-UHFFFAOYSA-N 0 1 342.351 3.292 20 5 EGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(c2ccsc2)CC1 ZINC000275279750 267340770 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EGBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001330551911 1389452572 /nfs/dbraw/zinc/45/25/72/1389452572.db2.gz OKKPIIJKKYQJLQ-UHFFFAOYSA-N 0 1 334.351 3.027 20 5 EGBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](C)CC(=O)OC(C)(C)C ZINC001333320237 1390283459 /nfs/dbraw/zinc/28/34/59/1390283459.db2.gz CVCPNOBPFKVHCA-RYUDHWBXSA-N 0 1 338.404 3.374 20 5 EGBDMN COC(=O)c1ccc(CNCc2cccc([N+](=O)[O-])c2C)cc1C ZINC001335238534 1390658508 /nfs/dbraw/zinc/65/85/08/1390658508.db2.gz RVFOPJOOHGCXLD-UHFFFAOYSA-N 0 1 328.368 3.288 20 5 EGBDMN CCc1csc([C@H](C)NCCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC001335468924 1390688215 /nfs/dbraw/zinc/68/82/15/1390688215.db2.gz XRIFMMPONZSVOW-NSHDSACASA-N 0 1 348.428 3.293 20 5 EGBDMN C[C@@H]1CN(c2nc3ccccc3c(Cl)c2[N+](=O)[O-])[C@H](C)CN1C ZINC001164634212 719188971 /nfs/dbraw/zinc/18/89/71/719188971.db2.gz ITHQWEDBAKKMNC-GHMZBOCLSA-N 0 1 334.807 3.325 20 5 EGBDMN C[C@H](C(=O)[O-])[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC001602819631 971619529 /nfs/dbraw/zinc/61/95/29/971619529.db2.gz ALLRULKJTXNGLS-MRVPVSSYSA-N 0 1 332.278 3.051 20 5 EGBDMN C[C@H](Cc1ccsc1)[N@@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001592905459 979835362 /nfs/dbraw/zinc/83/53/62/979835362.db2.gz ACXQYXUYWKPJKX-LLVKDONJSA-N 0 1 334.397 3.418 20 5 EGBDMN Cc1ccc(C[N@H+]2CC[C@](C(=O)[O-])(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000872160533 980046306 /nfs/dbraw/zinc/04/63/06/980046306.db2.gz IEJWCPRPFSNZFJ-LJQANCHMSA-N 0 1 340.379 3.132 20 5 EGBDMN CC[N@H+](CC(=O)[O-])Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000901426464 980271576 /nfs/dbraw/zinc/27/15/76/980271576.db2.gz IQXNILUWJQRYLG-UHFFFAOYSA-N 0 1 338.747 3.415 20 5 EGBDMN CC[N@@H+](CC(=O)[O-])Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000901426464 980271587 /nfs/dbraw/zinc/27/15/87/980271587.db2.gz IQXNILUWJQRYLG-UHFFFAOYSA-N 0 1 338.747 3.415 20 5 EGBDMN C[C@H]1CCC[N@H+](C(C)(C)CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000910347283 981884361 /nfs/dbraw/zinc/88/43/61/981884361.db2.gz WKCOADYMYLJOKN-ZDUSSCGKSA-N 0 1 349.431 3.144 20 5 EGBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](CCC(F)(F)F)CC(=O)[O-] ZINC001589001466 984944195 /nfs/dbraw/zinc/94/41/95/984944195.db2.gz KERUTMFMSRRLPQ-YRNVUSSQSA-N 0 1 346.305 3.337 20 5 EGBDMN C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC001593716725 996232326 /nfs/dbraw/zinc/23/23/26/996232326.db2.gz BVUGALRFOKFKBP-LBPRGKRZSA-N 0 1 326.352 3.412 20 5 EGBDMN O=[N+]([O-])c1ccc(NC2CCN(Cc3ccc(F)cc3)CC2)nc1 ZINC000052467204 214129951 /nfs/dbraw/zinc/12/99/51/214129951.db2.gz PMDUKGKGNWSMJY-UHFFFAOYSA-N 0 1 330.363 3.205 20 5 EGBDMN CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@H]1CCCOC1 ZINC000153634742 530018526 /nfs/dbraw/zinc/01/85/26/530018526.db2.gz QFVUIMHVPDSLAU-CYBMUJFWSA-N 0 1 331.372 3.108 20 5 EGBDMN CCOc1ccc([C@H](C)N[C@H](C)c2cn(C)nc2C)cc1[N+](=O)[O-] ZINC000179419505 233012588 /nfs/dbraw/zinc/01/25/88/233012588.db2.gz KJWFRNLLSRNFTI-NWDGAFQWSA-N 0 1 332.404 3.447 20 5 EGBDMN Cc1c(NC(=O)[C@@H](C)N[C@@H](C)c2cccc(O)c2)cccc1[N+](=O)[O-] ZINC000181546748 234226619 /nfs/dbraw/zinc/22/66/19/234226619.db2.gz LIACTHHGUTVYCS-QWHCGFSZSA-N 0 1 343.383 3.287 20 5 EGBDMN Cc1ccc([C@H](C)NCC(=O)N(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000181807696 234330125 /nfs/dbraw/zinc/33/01/25/234330125.db2.gz AAMUZCMKJVRRBW-AWEZNQCLSA-N 0 1 327.384 3.217 20 5 EGBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000363017946 296073417 /nfs/dbraw/zinc/07/34/17/296073417.db2.gz WNKKZNVCMRKMSO-RAIGVLPGSA-N 0 1 328.290 3.034 20 5 EGBDMN CC[C@H](CNCc1csc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000227720781 242134900 /nfs/dbraw/zinc/13/49/00/242134900.db2.gz INMJRPKWWAMTTK-LLVKDONJSA-N 0 1 329.422 3.049 20 5 EGBDMN CCCCNC(=O)c1ccc(CNCc2cccc([N+](=O)[O-])c2)cc1 ZINC000236799545 242361667 /nfs/dbraw/zinc/36/16/67/242361667.db2.gz YFACEUGOBMNXOQ-UHFFFAOYSA-N 0 1 341.411 3.415 20 5 EGBDMN Cc1[nH]nc(C(=O)N2CCCC[C@H]2c2ccc(C)cc2)c1[N+](=O)[O-] ZINC000266083900 248085275 /nfs/dbraw/zinc/08/52/75/248085275.db2.gz NGVSNDASRUSKPI-AWEZNQCLSA-N 0 1 328.372 3.302 20 5 EGBDMN Cc1c([C@@H](C)NCCS(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000268816221 252267619 /nfs/dbraw/zinc/26/76/19/252267619.db2.gz PTWNSBLADDUALT-CQSZACIVSA-N 0 1 348.424 3.028 20 5 EGBDMN Cc1c2ccccc2oc1[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(C)C ZINC000119380999 221307637 /nfs/dbraw/zinc/30/76/37/221307637.db2.gz LHCCFRIAYKRNDA-AWEZNQCLSA-N 0 1 342.355 3.500 20 5 EGBDMN COCC[C@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)(C)C ZINC000338370303 141109852 /nfs/dbraw/zinc/10/98/52/141109852.db2.gz DKAJGISKKCHHTL-AWEZNQCLSA-N 0 1 348.403 3.186 20 5 EGBDMN O=C(NCc1ccc(-c2ccccc2)o1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356354577 141345845 /nfs/dbraw/zinc/34/58/45/141345845.db2.gz XCRZYJPPWWEXPC-UHFFFAOYSA-N 0 1 338.319 3.490 20 5 EGBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Nc1cc(Cl)ccc1F ZINC000319274815 154161908 /nfs/dbraw/zinc/16/19/08/154161908.db2.gz FJEHOKFUINNLTJ-UHFFFAOYSA-N 0 1 348.714 3.327 20 5 EGBDMN Cc1cc(Cc2noc(-c3ccc4cncn4c3)n2)ccc1[N+](=O)[O-] ZINC000346870788 156171846 /nfs/dbraw/zinc/17/18/46/156171846.db2.gz PHNDYJMMYXAGBP-UHFFFAOYSA-N 0 1 335.323 3.192 20 5 EGBDMN CCN(CCc1cccs1)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000346904352 156190761 /nfs/dbraw/zinc/19/07/61/156190761.db2.gz OFBWZGXJDOHWFC-UHFFFAOYSA-N 0 1 347.440 3.184 20 5 EGBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(F)c(F)c(F)c1 ZINC000130431532 162368413 /nfs/dbraw/zinc/36/84/13/162368413.db2.gz QQJAURCMFUEUQJ-UHFFFAOYSA-N 0 1 346.286 3.121 20 5 EGBDMN Cc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1Cl ZINC000343884595 164057859 /nfs/dbraw/zinc/05/78/59/164057859.db2.gz SHGGWUVYQGAZGT-UHFFFAOYSA-N 0 1 342.760 3.063 20 5 EGBDMN CCC[C@]1(CO)CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000344154344 164115246 /nfs/dbraw/zinc/11/52/46/164115246.db2.gz JBCQUFSBJBKRRN-SFHVURJKSA-N 0 1 336.432 3.367 20 5 EGBDMN CCc1ccc([C@H](NCC2(O)CCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346553948 164395632 /nfs/dbraw/zinc/39/56/32/164395632.db2.gz NKNMIHWPYGXSAB-QGZVFWFLSA-N 0 1 330.384 3.344 20 5 EGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@H](c2ccccc2F)C1 ZINC000355208677 166133919 /nfs/dbraw/zinc/13/39/19/166133919.db2.gz GTAMBWHWFLYXJK-NSHDSACASA-N 0 1 330.315 3.069 20 5 EGBDMN O=[N+]([O-])c1cc(CN2CCC[C@]2(CO)Cc2ccccc2)cs1 ZINC000355351697 166171731 /nfs/dbraw/zinc/17/17/31/166171731.db2.gz FDGBEFLROPCIMY-QGZVFWFLSA-N 0 1 332.425 3.226 20 5 EGBDMN Cc1c([C@@H](C)NCC(=O)N2Cc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000359058585 167053415 /nfs/dbraw/zinc/05/34/15/167053415.db2.gz VFAQIXYBPBMPIZ-CQSZACIVSA-N 0 1 339.395 3.096 20 5 EGBDMN Cc1cc2c[nH]nc2c(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000359129858 167075743 /nfs/dbraw/zinc/07/57/43/167075743.db2.gz LUOLLOZXUYRWAY-UHFFFAOYSA-N 0 1 338.367 3.094 20 5 EGBDMN CCOc1ccc([C@@H](C)NCc2cnc3n2CCCC3)cc1[N+](=O)[O-] ZINC000367439878 168226041 /nfs/dbraw/zinc/22/60/41/168226041.db2.gz XZLLYFVXKHEBOF-CYBMUJFWSA-N 0 1 344.415 3.377 20 5 EGBDMN O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000179116853 265360773 /nfs/dbraw/zinc/36/07/73/265360773.db2.gz IUWLKVGNEUIQRO-HNNXBMFYSA-N 0 1 336.351 3.032 20 5 EGBDMN COc1cccc(C)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000194219263 266099598 /nfs/dbraw/zinc/09/95/98/266099598.db2.gz VBVMIDXYHZOATO-UHFFFAOYSA-N 0 1 336.369 3.021 20 5 EGBDMN CCSCC[C@H](C)N(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269451563 266297085 /nfs/dbraw/zinc/29/70/85/266297085.db2.gz GLMGVEQXBLHLDB-JTQLQIEISA-N 0 1 328.438 3.045 20 5 EGBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H](C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000269449686 266297253 /nfs/dbraw/zinc/29/72/53/266297253.db2.gz GGOVJKCEPQFJEP-ABAIWWIYSA-N 0 1 328.372 3.275 20 5 EGBDMN CCOc1ccc([C@@H](C)N[C@@H]2CCCc3c2cnn3C)cc1[N+](=O)[O-] ZINC000271115457 266605687 /nfs/dbraw/zinc/60/56/87/266605687.db2.gz IGISUGUXSVCJSG-IUODEOHRSA-N 0 1 344.415 3.455 20 5 EGBDMN CCO[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)[C@]12CCCO2 ZINC000273537100 267056130 /nfs/dbraw/zinc/05/61/30/267056130.db2.gz AQMZJSHDXOJHSG-ARFHVFGLSA-N 0 1 340.807 3.064 20 5 EGBDMN COCCC(C)(C)CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000273797404 267111590 /nfs/dbraw/zinc/11/15/90/267111590.db2.gz WPAXKAGQYHKEFD-MRXNPFEDSA-N 0 1 346.431 3.070 20 5 EGBDMN O=C(N[C@H](C1CCCC1)C(F)(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274846339 267296091 /nfs/dbraw/zinc/29/60/91/267296091.db2.gz SWYDBWNXBMTPOO-GFCCVEGCSA-N 0 1 332.278 3.151 20 5 EGBDMN CO[C@H]1CCCC[C@@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000275256768 267335756 /nfs/dbraw/zinc/33/57/56/267335756.db2.gz REZSEDPZZFVXCM-HOTGVXAUSA-N 0 1 331.372 3.297 20 5 EGBDMN CCN(Cc1ccc(C(=O)N(C)C)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000102931683 275159730 /nfs/dbraw/zinc/15/97/30/275159730.db2.gz QIRBZJDXOSZWPC-UHFFFAOYSA-N 0 1 341.411 3.319 20 5 EGBDMN CCS[C@@H]1CCC[C@H]1NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000284823332 275829014 /nfs/dbraw/zinc/82/90/14/275829014.db2.gz AGOSDIKTBOBSCB-ZIAGYGMSSA-N 0 1 348.428 3.409 20 5 EGBDMN CNC(=O)CC[C@H]1CCCCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000286651550 276027582 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EGBDMN Cc1cc(NS(=O)(=O)c2ccc(F)cc2Cl)ccc1[N+](=O)[O-] ZINC000093930499 307469388 /nfs/dbraw/zinc/46/93/88/307469388.db2.gz GLCMATOLHJPRPO-UHFFFAOYSA-N 0 1 344.751 3.497 20 5 EGBDMN Cc1ccc([C@@H](C)NCc2ccc3c(c2)NC(=O)CO3)cc1[N+](=O)[O-] ZINC000293523755 308138563 /nfs/dbraw/zinc/13/85/63/308138563.db2.gz DGCKLIGMLUHQNF-GFCCVEGCSA-N 0 1 341.367 3.085 20 5 EGBDMN O=[N+]([O-])c1cccc(-c2nc(CN3CCC[C@H](CO)CC3)cs2)c1 ZINC000293930209 308175049 /nfs/dbraw/zinc/17/50/49/308175049.db2.gz HHQNEORMSQCCHE-ZDUSSCGKSA-N 0 1 347.440 3.313 20 5 EGBDMN C[C@@H](CC(C)(C)O)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000295094404 308290601 /nfs/dbraw/zinc/29/06/01/308290601.db2.gz RWWVHKCCOBWSPI-NSHDSACASA-N 0 1 335.429 3.357 20 5 EGBDMN CC(C)Oc1cc(-c2nc(C3(N)CCCC3)no2)ccc1[N+](=O)[O-] ZINC000414622946 309091993 /nfs/dbraw/zinc/09/19/93/309091993.db2.gz CWLVMTPMRDMTLX-UHFFFAOYSA-N 0 1 332.360 3.160 20 5 EGBDMN C[C@@H](N[C@H]1CCc2ccccc2NC1=O)c1cccc([N+](=O)[O-])c1 ZINC000299700447 308684811 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20 5 EGBDMN O=[N+]([O-])c1ccccc1CN[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192118223 455559324 /nfs/dbraw/zinc/55/93/24/455559324.db2.gz JSKKNHBMICNEKI-NVXWUHKLSA-N 0 1 334.322 3.493 20 5 EGBDMN COc1ccc(CN2CCC(O)(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000185479472 455564070 /nfs/dbraw/zinc/56/40/70/455564070.db2.gz GHPFHZUXWKVFPY-UHFFFAOYSA-N 0 1 342.395 3.087 20 5 EGBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000268007692 455579186 /nfs/dbraw/zinc/57/91/86/455579186.db2.gz OUYXEOXOIBFTEP-GFCCVEGCSA-N 0 1 346.362 3.039 20 5 EGBDMN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000268141390 455600637 /nfs/dbraw/zinc/60/06/37/455600637.db2.gz DMAAFMLOWVMNFI-YGRLFVJLSA-N 0 1 345.424 3.022 20 5 EGBDMN COc1ccc(CN2CCC[C@H]2C[C@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000268285146 455640400 /nfs/dbraw/zinc/64/04/00/455640400.db2.gz QMFCHQABOKEVQY-HOCLYGCPSA-N 0 1 346.383 3.285 20 5 EGBDMN CCc1[nH]nc(C(=O)N(C)[C@@H](C)c2ccc(C)cc2C)c1[N+](=O)[O-] ZINC000277741127 455652391 /nfs/dbraw/zinc/65/23/91/455652391.db2.gz PTIWAERJBVXIRB-LBPRGKRZSA-N 0 1 330.388 3.330 20 5 EGBDMN COc1cccc([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000271688637 455723119 /nfs/dbraw/zinc/72/31/19/455723119.db2.gz QGUQUKCZYIKGGV-CYBMUJFWSA-N 0 1 343.383 3.201 20 5 EGBDMN Cc1cc(N2CCOCC3(CCC3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000612665564 460693789 /nfs/dbraw/zinc/69/37/89/460693789.db2.gz AXTVYCXEUSAQRP-UHFFFAOYSA-N 0 1 327.384 3.458 20 5 EGBDMN Cc1nc(C[C@@H]2CCCN([C@H](C)c3cccc([N+](=O)[O-])c3)C2)no1 ZINC000249864912 455779066 /nfs/dbraw/zinc/77/90/66/455779066.db2.gz HKBRZDWTDPSNCW-OCCSQVGLSA-N 0 1 330.388 3.302 20 5 EGBDMN O=[N+]([O-])c1cccc(CN(C[C@H](O)c2ccccc2F)C2CC2)c1 ZINC000269080343 455784258 /nfs/dbraw/zinc/78/42/58/455784258.db2.gz DVMKITRISLGIGG-SFHVURJKSA-N 0 1 330.359 3.432 20 5 EGBDMN COc1ccc(CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000269156825 455800035 /nfs/dbraw/zinc/80/00/35/455800035.db2.gz VLZIIOSPEUUOMB-UHFFFAOYSA-N 0 1 342.351 3.114 20 5 EGBDMN Cc1c(C(=O)N(C)CCCN(C)Cc2ccco2)cccc1[N+](=O)[O-] ZINC000285740928 455907940 /nfs/dbraw/zinc/90/79/40/455907940.db2.gz IVTOAMQJZHAQNY-UHFFFAOYSA-N 0 1 345.399 3.090 20 5 EGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000272516412 455978973 /nfs/dbraw/zinc/97/89/73/455978973.db2.gz KPNZTCSRVXISFP-CYBMUJFWSA-N 0 1 344.342 3.144 20 5 EGBDMN CCN(C(=O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000296794613 456039579 /nfs/dbraw/zinc/03/95/79/456039579.db2.gz SZWXIPHOCCJWRD-AWEZNQCLSA-N 0 1 327.384 3.299 20 5 EGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000270831410 456048487 /nfs/dbraw/zinc/04/84/87/456048487.db2.gz ZUENSQFLNDYOQT-SNVBAGLBSA-N 0 1 332.364 3.027 20 5 EGBDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H]2CCCCN2C[C@H]1C ZINC000332517608 456086027 /nfs/dbraw/zinc/08/60/27/456086027.db2.gz KSUVJXCCDGBKFB-ZBFHGGJFSA-N 0 1 345.443 3.219 20 5 EGBDMN Cc1cnc(NC[C@@H](C)N2CCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000301455420 456120411 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EGBDMN CCC[C@@H](NCc1cnn(CCOC)c1)c1cccc([N+](=O)[O-])c1 ZINC000282406092 456503411 /nfs/dbraw/zinc/50/34/11/456503411.db2.gz CBTKOMQTXIZDDT-QGZVFWFLSA-N 0 1 332.404 3.069 20 5 EGBDMN Cc1c(CN2CCCN(c3nccs3)CC2)cccc1[N+](=O)[O-] ZINC000299229329 456637035 /nfs/dbraw/zinc/63/70/35/456637035.db2.gz FTMGYMPKKDLDCY-UHFFFAOYSA-N 0 1 332.429 3.072 20 5 EGBDMN CC[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000324282428 456665067 /nfs/dbraw/zinc/66/50/67/456665067.db2.gz QBPAANBMJBJFHP-ZDUSSCGKSA-N 0 1 344.408 3.371 20 5 EGBDMN CC(C)N(Cc1ccco1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000299417218 456686972 /nfs/dbraw/zinc/68/69/72/456686972.db2.gz GOYJXYUDKYAQBB-UHFFFAOYSA-N 0 1 328.328 3.115 20 5 EGBDMN C[N@@H+](CCc1ccccc1C(=O)[O-])CCc1ccccc1[N+](=O)[O-] ZINC000325856883 456688563 /nfs/dbraw/zinc/68/85/63/456688563.db2.gz ZXIHUVKMYQQGTM-UHFFFAOYSA-N 0 1 328.368 3.010 20 5 EGBDMN COc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000299452749 456698904 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EGBDMN O=C(NC[C@H](c1ccccc1)C1CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000348757124 456843186 /nfs/dbraw/zinc/84/31/86/456843186.db2.gz SKGRFOGGCMSEQR-QGZVFWFLSA-N 0 1 326.352 3.224 20 5 EGBDMN CC(C)c1nc([C@H]2CCCCN2C(=O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000292168536 456875388 /nfs/dbraw/zinc/87/53/88/456875388.db2.gz ZWUWVEHEMWXGSS-CQSZACIVSA-N 0 1 343.387 3.204 20 5 EGBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)N(CC)C[C@H]1C ZINC000353903808 456959480 /nfs/dbraw/zinc/95/94/80/456959480.db2.gz HUZCRZUZEGMQGH-CHWSQXEVSA-N 0 1 334.420 3.104 20 5 EGBDMN CCn1ccnc1[C@@H]1CCCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339151167 456965804 /nfs/dbraw/zinc/96/58/04/456965804.db2.gz GWPIJGKQKPCBOV-INIZCTEOSA-N 0 1 330.388 3.244 20 5 EGBDMN C[C@H](C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H](C)CO)c1ccccc1 ZINC000339201330 456989495 /nfs/dbraw/zinc/98/94/95/456989495.db2.gz QYZLHSLEBHUXFK-CABCVRRESA-N 0 1 344.411 3.287 20 5 EGBDMN CC(C)[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN1C ZINC000362738859 457071464 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CC[C@@H](CC(F)(F)F)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000354539394 457277918 /nfs/dbraw/zinc/27/79/18/457277918.db2.gz GUBZIZZZMVBJJM-UWVGGRQHSA-N 0 1 333.310 3.242 20 5 EGBDMN C[C@H]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC12CCC2 ZINC000357028335 457285464 /nfs/dbraw/zinc/28/54/64/457285464.db2.gz UNIMAVZMDIDDFU-YOEHRIQHSA-N 0 1 343.427 3.212 20 5 EGBDMN C[C@H]1CCc2nc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)sc2C1 ZINC000332165151 457317811 /nfs/dbraw/zinc/31/78/11/457317811.db2.gz LLDKPQINLSUGEU-QMMMGPOBSA-N 0 1 333.369 3.134 20 5 EGBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(F)c2ccccc21 ZINC000360825270 457371101 /nfs/dbraw/zinc/37/11/01/457371101.db2.gz NAEXFIXXJHKPLD-SECBINFHSA-N 0 1 328.303 3.101 20 5 EGBDMN C[C@@H](NCc1cnnn1C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000352598860 457493397 /nfs/dbraw/zinc/49/33/97/457493397.db2.gz VHTDBYUIHURBPZ-LLVKDONJSA-N 0 1 343.412 3.303 20 5 EGBDMN Cc1ccccc1CN1CCCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000374416440 457620259 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3.056 20 5 EGBDMN Cc1ccc(CN2CCN(C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000434991632 458076199 /nfs/dbraw/zinc/07/61/99/458076199.db2.gz NYIPDKKJMXRURF-IBGZPJMESA-N 0 1 325.412 3.392 20 5 EGBDMN CN(c1ccccc1)c1ccc(CN2CCC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000435056392 458087082 /nfs/dbraw/zinc/08/70/82/458087082.db2.gz MPCQDHQVNXFIIS-KRWDZBQOSA-N 0 1 341.411 3.319 20 5 EGBDMN CCc1nc(C)c(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000428246426 458107116 /nfs/dbraw/zinc/10/71/16/458107116.db2.gz YNCNBEXHZHIFFL-UHFFFAOYSA-N 0 1 345.399 3.497 20 5 EGBDMN COc1cccc2c(C(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)n[nH]c21 ZINC000362373706 458132016 /nfs/dbraw/zinc/13/20/16/458132016.db2.gz OEPMCBPGHBIMKF-UHFFFAOYSA-N 0 1 340.339 3.349 20 5 EGBDMN CC1(C)CCCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000446059077 458136034 /nfs/dbraw/zinc/13/60/34/458136034.db2.gz CZOCFHYPFMRZDP-MRXNPFEDSA-N 0 1 331.416 3.212 20 5 EGBDMN CCOC(=O)[C@H](C)[C@H](C)NCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000358806125 458229839 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O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cccc(Cl)c1O ZINC000179723240 455070737 /nfs/dbraw/zinc/07/07/37/455070737.db2.gz SEGXNAFRSJSYOH-UHFFFAOYSA-N 0 1 336.731 3.361 20 5 EGBDMN CCCc1cc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)n[nH]1 ZINC000152427720 455118252 /nfs/dbraw/zinc/11/82/52/455118252.db2.gz ULJWPORJTZLVGZ-UHFFFAOYSA-N 0 1 328.372 3.075 20 5 EGBDMN C[C@H](NCC(=O)Nc1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000180407578 455164891 /nfs/dbraw/zinc/16/48/91/455164891.db2.gz GTGLALCJXSUWTP-JTQLQIEISA-N 0 1 335.310 3.162 20 5 EGBDMN Cc1ccc(CNC(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1F ZINC000180434671 455168996 /nfs/dbraw/zinc/16/89/96/455168996.db2.gz BGJIGFQGYLOYCN-CYBMUJFWSA-N 0 1 345.374 3.009 20 5 EGBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCC1CCCCC1 ZINC000180452360 455172979 /nfs/dbraw/zinc/17/29/79/455172979.db2.gz ARBMUOBQXZSMLD-UONOGXRCSA-N 0 1 333.432 3.330 20 5 EGBDMN C[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H]2CCCC[C@H]12 ZINC000180566451 455198476 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/nfs/dbraw/zinc/00/32/66/456003266.db2.gz SJLVDIKWGDOXQP-UHFFFAOYSA-N 0 1 348.406 3.381 20 5 EGBDMN C[C@@H](CNC(=O)OC(C)(C)C)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000296944689 456072420 /nfs/dbraw/zinc/07/24/20/456072420.db2.gz SXHOEXDKEUYDQA-JTQLQIEISA-N 0 1 343.811 3.251 20 5 EGBDMN COCCOCc1ccc(CNCc2cccc([N+](=O)[O-])c2)cc1 ZINC000289849693 456153724 /nfs/dbraw/zinc/15/37/24/456153724.db2.gz VESVYZBEXKLMTE-UHFFFAOYSA-N 0 1 330.384 3.048 20 5 EGBDMN CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCC[C@H]1O ZINC000289861159 456157553 /nfs/dbraw/zinc/15/75/53/456157553.db2.gz VKDAUSFFYJXRBV-HUUCEWRRSA-N 0 1 333.413 3.064 20 5 EGBDMN Cc1cc(NC[C@](C)(O)c2ccco2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302172801 456306696 /nfs/dbraw/zinc/30/66/96/456306696.db2.gz MIHVQWPCAAYAFQ-KRWDZBQOSA-N 0 1 327.340 3.364 20 5 EGBDMN C[C@]1(CCCO)CCCN1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000290611076 456383166 /nfs/dbraw/zinc/38/31/66/456383166.db2.gz WOYUVLLTGSNFEQ-MRXNPFEDSA-N 0 1 344.358 3.323 20 5 EGBDMN Cc1ccc([C@@H](C)NCc2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000337598197 456412065 /nfs/dbraw/zinc/41/20/65/456412065.db2.gz QBRNANGGSPUWMX-CYBMUJFWSA-N 0 1 348.424 3.158 20 5 EGBDMN CC(C)n1nccc1[C@@H]1OCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000343389672 456584127 /nfs/dbraw/zinc/58/41/27/456584127.db2.gz LKUWDIOVROSHQX-DOTOQJQBSA-N 0 1 348.378 3.131 20 5 EGBDMN O=C(NC1(c2ccc(Cl)c(Cl)c2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000343417223 456606156 /nfs/dbraw/zinc/60/61/56/456606156.db2.gz VNUINRRSRRKFSP-UHFFFAOYSA-N 0 1 341.154 3.044 20 5 EGBDMN Cc1[nH]nc(C(=O)N(Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)c1[N+](=O)[O-] ZINC000299457549 456698479 /nfs/dbraw/zinc/69/84/79/456698479.db2.gz WOCACZQKQUVAGJ-ZANVPECISA-N 0 1 344.371 3.148 20 5 EGBDMN Cc1n[nH]c(C(F)F)c1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000353548877 456751999 /nfs/dbraw/zinc/75/19/99/456751999.db2.gz YLRJTXZPBRPLBD-UHFFFAOYSA-N 0 1 349.297 3.226 20 5 EGBDMN CC[C@H](C)c1nc([C@H](C)NCc2ccc(OC)c([N+](=O)[O-])c2)n[nH]1 ZINC000277413760 456816894 /nfs/dbraw/zinc/81/68/94/456816894.db2.gz LVSKLCLAJCVYDQ-QWRGUYRKSA-N 0 1 333.392 3.086 20 5 EGBDMN COc1cc(CN(C)[C@H]2C[C@@](C)(OC)C2(C)C)c([N+](=O)[O-])cc1F ZINC000341274584 456830409 /nfs/dbraw/zinc/83/04/09/456830409.db2.gz GEAHZRWUTMFDMP-DOTOQJQBSA-N 0 1 340.395 3.378 20 5 EGBDMN Cc1ccc([C@@H](C)NCc2ccc3c(c2)C(=O)NCC3)cc1[N+](=O)[O-] ZINC000349685962 457015592 /nfs/dbraw/zinc/01/55/92/457015592.db2.gz QZVSKLBIJVBCMS-CYBMUJFWSA-N 0 1 339.395 3.040 20 5 EGBDMN COc1cccc(-c2nc(-c3ccc4[nH]cnc4c3)no2)c1[N+](=O)[O-] ZINC000346577692 457054383 /nfs/dbraw/zinc/05/43/83/457054383.db2.gz VNRWTJGUSWGDPA-UHFFFAOYSA-N 0 1 337.295 3.197 20 5 EGBDMN CN(c1ccccc1)c1ccc(CN2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000349816062 457064201 /nfs/dbraw/zinc/06/42/01/457064201.db2.gz IRMPMVXXVOCSAF-QGZVFWFLSA-N 0 1 341.411 3.319 20 5 EGBDMN Cc1cc(C)cc(C[C@H](C)NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000356598960 457075635 /nfs/dbraw/zinc/07/56/35/457075635.db2.gz DKZKHBWGDIUELT-ZDUSSCGKSA-N 0 1 328.368 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Cc1ccc(S(=O)(=O)Nc2cncc3ccccc32)cc1[N+](=O)[O-] ZINC000533934759 313943638 /nfs/dbraw/zinc/94/36/38/313943638.db2.gz ZQRYNQGGKSTDNC-UHFFFAOYSA-N 0 1 343.364 3.252 20 5 EGBDMN Cc1c(CN2CCN(C)C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000535653101 314058036 /nfs/dbraw/zinc/05/80/36/314058036.db2.gz LOQNDPWJKRCADC-LJQANCHMSA-N 0 1 325.412 3.392 20 5 EGBDMN Cc1c(NS(=O)(=O)c2cc(F)cc(Cl)c2)cccc1[N+](=O)[O-] ZINC000535654669 314058070 /nfs/dbraw/zinc/05/80/70/314058070.db2.gz IJGYEPXJCYQAJY-UHFFFAOYSA-N 0 1 344.751 3.497 20 5 EGBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1cccnc1-n1cccn1 ZINC000537767687 314208038 /nfs/dbraw/zinc/20/80/38/314208038.db2.gz OMLHAUVEQGEZPB-AWEZNQCLSA-N 0 1 337.383 3.335 20 5 EGBDMN Cc1ccc(O)c(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1 ZINC000541807474 314490224 /nfs/dbraw/zinc/49/02/24/314490224.db2.gz NPVTVIJJSZPRMD-UHFFFAOYSA-N 0 1 336.369 3.026 20 5 EGBDMN C[C@H](C(=O)Nc1ncc(C(F)(F)F)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000548821917 315051942 /nfs/dbraw/zinc/05/19/42/315051942.db2.gz ANNIAKHFKXLVDT-ZETCQYMHSA-N 0 1 328.250 3.079 20 5 EGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000550062893 315114772 /nfs/dbraw/zinc/11/47/72/315114772.db2.gz YABOMGQKSHBQNR-ZBFHGGJFSA-N 0 1 331.416 3.352 20 5 EGBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000565427034 316323038 /nfs/dbraw/zinc/32/30/38/316323038.db2.gz OTPRCBJBASKMMD-IINYFYTJSA-N 0 1 346.305 3.303 20 5 EGBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000565427037 316323160 /nfs/dbraw/zinc/32/31/60/316323160.db2.gz OTPRCBJBASKMMD-YGRLFVJLSA-N 0 1 346.305 3.303 20 5 EGBDMN Cc1ccc([C@H](C)NCC(=O)N(C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000178280869 323354784 /nfs/dbraw/zinc/35/47/84/323354784.db2.gz NJFGKJJUHZRSNP-AWEZNQCLSA-N 0 1 333.432 3.345 20 5 EGBDMN CC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1C ZINC000179448537 323388648 /nfs/dbraw/zinc/38/86/48/323388648.db2.gz ZVLYGECENIYIMX-UHFFFAOYSA-N 0 1 348.380 3.215 20 5 EGBDMN CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000579118574 325065745 /nfs/dbraw/zinc/06/57/45/325065745.db2.gz CYLPPULIODJJBT-WMLDXEAASA-N 0 1 334.416 3.385 20 5 EGBDMN O=C(CCN1CCc2cccc(F)c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000157833539 455236957 /nfs/dbraw/zinc/23/69/57/455236957.db2.gz FMYPKKDUWZEEJZ-UHFFFAOYSA-N 0 1 343.358 3.121 20 5 EGBDMN C[C@@H](NCC(=O)N1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000173358363 455272781 /nfs/dbraw/zinc/27/27/81/455272781.db2.gz OOKLNLRZHYRNTA-CQSZACIVSA-N 0 1 339.395 3.225 20 5 EGBDMN C[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccccc1 ZINC000174020640 455352311 /nfs/dbraw/zinc/35/23/11/455352311.db2.gz HXOAXMFHDNNQHO-APPDUMDISA-N 0 1 336.351 3.304 20 5 EGBDMN CNc1ccc(C(=O)Nc2ccc3nc(C)[nH]c3c2)cc1[N+](=O)[O-] ZINC000010895816 453305519 /nfs/dbraw/zinc/30/55/19/453305519.db2.gz CWIIMDYJSFHSNA-UHFFFAOYSA-N 0 1 325.328 3.074 20 5 EGBDMN COc1ccccc1[C@@H](CNc1ncccc1[N+](=O)[O-])N1CCCC1 ZINC000015128605 453558546 /nfs/dbraw/zinc/55/85/46/453558546.db2.gz FMXMZNBIUSXIKQ-MRXNPFEDSA-N 0 1 342.399 3.247 20 5 EGBDMN C[C@@H](C1CC1)N(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000031653769 453851051 /nfs/dbraw/zinc/85/10/51/453851051.db2.gz UXSCYUKFKKVRBD-JTQLQIEISA-N 0 1 337.807 3.450 20 5 EGBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C(C)=O)c1 ZINC000067116668 453903667 /nfs/dbraw/zinc/90/36/67/453903667.db2.gz ZXKHIHYQOKMGBW-UHFFFAOYSA-N 0 1 348.380 3.161 20 5 EGBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000067209411 453911276 /nfs/dbraw/zinc/91/12/76/453911276.db2.gz CYELJGHQCSIZCR-QGZVFWFLSA-N 0 1 345.374 3.075 20 5 EGBDMN CC(C)(C)c1ccc(C(=O)N2CCN(CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000055669067 454004828 /nfs/dbraw/zinc/00/48/28/454004828.db2.gz IARHAZFIZBWGGL-UHFFFAOYSA-N 0 1 345.443 3.060 20 5 EGBDMN O=C(CNC1(c2ccccc2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000077378288 454099722 /nfs/dbraw/zinc/09/97/22/454099722.db2.gz CYERTDXSBFJDJJ-UHFFFAOYSA-N 0 1 345.786 3.466 20 5 EGBDMN COCCOc1ccc([C@@H](C)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000089512181 454157609 /nfs/dbraw/zinc/15/76/09/454157609.db2.gz PGHUCCFFZOAHSN-CQSZACIVSA-N 0 1 330.384 3.471 20 5 EGBDMN COc1ccccc1[C@H](CNc1ccc(F)cc1[N+](=O)[O-])N(C)C ZINC000046228535 454230936 /nfs/dbraw/zinc/23/09/36/454230936.db2.gz MZZBNKFKZUQODB-INIZCTEOSA-N 0 1 333.363 3.457 20 5 EGBDMN Cc1ccc([C@@H](C)NCCS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000095967452 454242805 /nfs/dbraw/zinc/24/28/05/454242805.db2.gz PPQMDSLAQGZBKN-CQSZACIVSA-N 0 1 348.424 3.028 20 5 EGBDMN CC[C@H](CSC)N(C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000091097450 454383877 /nfs/dbraw/zinc/38/38/77/454383877.db2.gz VTHHVOGDOXEQRL-LLVKDONJSA-N 0 1 345.852 3.260 20 5 EGBDMN CN(C)[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000048050738 454435544 /nfs/dbraw/zinc/43/55/44/454435544.db2.gz KJKIVANAISIXKQ-INIZCTEOSA-N 0 1 346.362 3.158 20 5 EGBDMN O=[N+]([O-])c1ccc(NCCCN2CCN(c3ccccc3)CC2)s1 ZINC000064029471 454463920 /nfs/dbraw/zinc/46/39/20/454463920.db2.gz VERKYGDJRXJXAE-UHFFFAOYSA-N 0 1 346.456 3.281 20 5 EGBDMN COC(=O)c1ccc(CN(C)Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000091829483 454478641 /nfs/dbraw/zinc/47/86/41/454478641.db2.gz VHEXORUNDRCWDH-UHFFFAOYSA-N 0 1 328.368 3.322 20 5 EGBDMN COc1ccc2c(c1)CN(CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000065164712 454534356 /nfs/dbraw/zinc/53/43/56/454534356.db2.gz QPMDVBRCEXALHS-UHFFFAOYSA-N 0 1 328.368 3.041 20 5 EGBDMN Cc1ccc(CN2CCC(OC[C@@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000092661657 454605074 /nfs/dbraw/zinc/60/50/74/454605074.db2.gz HAPMXNDEPTXISL-KRWDZBQOSA-N 0 1 334.416 3.063 20 5 EGBDMN CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000051050855 454606877 /nfs/dbraw/zinc/60/68/77/454606877.db2.gz ZQXRWLBCRJQTDQ-ZBFHGGJFSA-N 0 1 333.432 3.112 20 5 EGBDMN COCCN(Cc1ccccc1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051375675 454621159 /nfs/dbraw/zinc/62/11/59/454621159.db2.gz DHAYGSCMLDINIK-UHFFFAOYSA-N 0 1 330.384 3.252 20 5 EGBDMN CCN(Cc1ccc2c(c1)OCO2)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051705139 454634581 /nfs/dbraw/zinc/63/45/81/454634581.db2.gz FTFGTLFOXAMQHC-UHFFFAOYSA-N 0 1 344.367 3.354 20 5 EGBDMN Cc1c(NC(=O)CCN2CCn3cccc3[C@@H]2C)cccc1[N+](=O)[O-] ZINC000105593941 454644980 /nfs/dbraw/zinc/64/49/80/454644980.db2.gz IYPTYTVHGBLUOC-AWEZNQCLSA-N 0 1 342.399 3.110 20 5 EGBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cccc([N+](=O)[O-])c3)c2C)o1 ZINC000161560441 454704050 /nfs/dbraw/zinc/70/40/50/454704050.db2.gz AHJBNCARMIGIFB-UHFFFAOYSA-N 0 1 326.312 3.447 20 5 EGBDMN Cc1cscc1NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000161596950 454706903 /nfs/dbraw/zinc/70/69/03/454706903.db2.gz HBODROIGJHMFCR-UHFFFAOYSA-N 0 1 326.399 3.382 20 5 EGBDMN C[C@@H](O)C[C@H]1CCCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000093482117 454718017 /nfs/dbraw/zinc/71/80/17/454718017.db2.gz LPJBYVLPZZIHOY-IUODEOHRSA-N 0 1 347.440 3.454 20 5 EGBDMN C[C@H](c1ccc([S@](C)=O)cc1)N(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093888789 454744349 /nfs/dbraw/zinc/74/43/49/454744349.db2.gz RGEWGAVCSSYEBO-OIRASMEMSA-N 0 1 348.424 3.231 20 5 EGBDMN CCOC(=O)CC[C@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000162065253 454748926 /nfs/dbraw/zinc/74/89/26/454748926.db2.gz VCMFOGNOPMNQDU-CYBMUJFWSA-N 0 1 338.379 3.289 20 5 EGBDMN CC[C@@H](NC(=O)N1CCN(C)C[C@@H]1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000176709551 454773761 /nfs/dbraw/zinc/77/37/61/454773761.db2.gz OGRVVNFGVQSRIQ-IAGOWNOFSA-N 0 1 348.447 3.028 20 5 EGBDMN CCN(CCc1ccccc1)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000164984056 454892731 /nfs/dbraw/zinc/89/27/31/454892731.db2.gz XDRCLTKMXNQUOI-UHFFFAOYSA-N 0 1 341.411 3.406 20 5 EGBDMN CC(C)N1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000127002809 454932225 /nfs/dbraw/zinc/93/22/25/454932225.db2.gz QQNNQNVMQXCDPL-UHFFFAOYSA-N 0 1 346.456 3.244 20 5 EGBDMN COc1ccc([N+](=O)[O-])cc1CN(Cc1ccccc1)CC(C)(C)O ZINC000180249102 455151713 /nfs/dbraw/zinc/15/17/13/455151713.db2.gz RGAJUOZVDJTDRC-UHFFFAOYSA-N 0 1 344.411 3.377 20 5 EGBDMN C[C@@H](NCC(=O)N[C@H](C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180436902 455170437 /nfs/dbraw/zinc/17/04/37/455170437.db2.gz MPYVKDRVKZSDCQ-ZIAGYGMSSA-N 0 1 327.384 3.123 20 5 EGBDMN O=[N+]([O-])c1ccn(CCN[C@@H](CC(F)(F)F)c2ccc(F)cc2)n1 ZINC000180549124 455194097 /nfs/dbraw/zinc/19/40/97/455194097.db2.gz XYAYPHMGRDDODK-LBPRGKRZSA-N 0 1 346.284 3.214 20 5 EGBDMN C[C@@H]1C[C@H]1c1ccc(CN(CCn2cc([N+](=O)[O-])cn2)C2CC2)o1 ZINC000157663347 455218767 /nfs/dbraw/zinc/21/87/67/455218767.db2.gz MRCRAPJJXWAZSB-MLGOLLRUSA-N 0 1 330.388 3.172 20 5 EGBDMN CCc1ccc(C(=O)NCc2nc3ccc(C)cc3[nH]2)cc1[N+](=O)[O-] ZINC000173497472 455294468 /nfs/dbraw/zinc/29/44/68/455294468.db2.gz NFBNQOBGIOJZKU-UHFFFAOYSA-N 0 1 338.367 3.272 20 5 EGBDMN CC(C)OCCCN(C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000265864533 455395594 /nfs/dbraw/zinc/39/55/94/455395594.db2.gz KSQHBSPKPRRWJP-CYBMUJFWSA-N 0 1 348.403 3.453 20 5 EGBDMN COc1ccc(CN[C@H](c2nnc[nH]2)C2CCCCC2)cc1[N+](=O)[O-] ZINC000292240865 455606461 /nfs/dbraw/zinc/60/64/61/455606461.db2.gz RQLITESZZTZBOI-INIZCTEOSA-N 0 1 345.403 3.133 20 5 EGBDMN CN(c1ncc([N+](=O)[O-])s1)C1CCN(Cc2ccccc2)CC1 ZINC000192454633 455621226 /nfs/dbraw/zinc/62/12/26/455621226.db2.gz WUBFMHCXMCITKG-UHFFFAOYSA-N 0 1 332.429 3.152 20 5 EGBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)n[nH]1 ZINC000277700562 455638627 /nfs/dbraw/zinc/63/86/27/455638627.db2.gz DIYAKKXJPZMAMG-ONGXEEELSA-N 0 1 331.376 3.026 20 5 EGBDMN CC[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H](C)O1 ZINC000247738082 455642892 /nfs/dbraw/zinc/64/28/92/455642892.db2.gz WETDLFTUOVIUFQ-CZUORRHYSA-N 0 1 345.399 3.292 20 5 EGBDMN CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247986982 455666395 /nfs/dbraw/zinc/66/63/95/455666395.db2.gz IXGHULUUHFPWQX-MAUKXSAKSA-N 0 1 334.416 3.121 20 5 EGBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247986982 455666396 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ZINC001215295027 1373196134 /nfs/dbraw/zinc/19/61/34/1373196134.db2.gz QBJRWOQOQISWQU-UHFFFAOYSA-N 0 1 348.353 3.368 20 5 EGBDMN COc1cc([N+](=O)[O-])c(-c2nc(-c3cc(F)ccc3C)no2)cc1O ZINC001216343582 1373302965 /nfs/dbraw/zinc/30/29/65/1373302965.db2.gz LMDQSYMGPWMCMA-UHFFFAOYSA-N 0 1 345.286 3.474 20 5 EGBDMN CN(C)c1ccccc1-c1noc(-c2ccc(O)cc2[N+](=O)[O-])n1 ZINC001216891354 1373359488 /nfs/dbraw/zinc/35/94/88/1373359488.db2.gz QAWURLVDGXRVSV-UHFFFAOYSA-N 0 1 326.312 3.083 20 5 EGBDMN CN(C)c1ccc(-c2noc(-c3cc(O)cc([N+](=O)[O-])c3)n2)cc1 ZINC001216924355 1373364458 /nfs/dbraw/zinc/36/44/58/1373364458.db2.gz GKTXALPRKCZVLM-UHFFFAOYSA-N 0 1 326.312 3.083 20 5 EGBDMN C[C@@H](c1ccccn1)N1CC[C@@H](Oc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001225906455 1375172755 /nfs/dbraw/zinc/17/27/55/1375172755.db2.gz BDZUDXORRLMVEL-GXTWGEPZSA-N 0 1 331.347 3.343 20 5 EGBDMN Cc1cc([N+](=O)[O-])cnc1O[C@@H]1CCC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC001226763769 1375327557 /nfs/dbraw/zinc/32/75/57/1375327557.db2.gz 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339.395 3.130 20 5 EGBDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN(C(C)(C)C)CC1 ZINC001319833621 1386324659 /nfs/dbraw/zinc/32/46/59/1386324659.db2.gz XHQUGVWROITZJL-UHFFFAOYSA-N 0 1 333.432 3.076 20 5 EGBDMN CCCC[C@H](C)C(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001337580780 1389391715 /nfs/dbraw/zinc/39/17/15/1389391715.db2.gz RIGQHPSKTGKTOO-AWEZNQCLSA-N 0 1 348.447 3.111 20 5 EGBDMN CCC/C(C)=C/C(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001340882591 1390394697 /nfs/dbraw/zinc/39/46/97/1390394697.db2.gz RFJDUMWTBBUPFH-WYMLVPIESA-N 0 1 346.431 3.032 20 5 EGBDMN CCCN(CCNC(=O)C=C1CCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001753144216 1440323339 /nfs/dbraw/zinc/32/33/39/1440323339.db2.gz OLNFTONIURVURB-UHFFFAOYSA-N 0 1 331.416 3.033 20 5 EGBDMN C[C@H]1CN(c2nc3ccccc3c(Cl)c2[N+](=O)[O-])[C@@H](C)CN1C ZINC001164634218 719188891 /nfs/dbraw/zinc/18/88/91/719188891.db2.gz ITHQWEDBAKKMNC-QWRGUYRKSA-N 0 1 334.807 3.325 20 5 EGBDMN O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCN(C2CCCC2)CC1 ZINC001165029257 721854384 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Cc1ccc(CN2CCC[C@H](CNC(=O)C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000093281284 218211392 /nfs/dbraw/zinc/21/13/92/218211392.db2.gz ZHFCBFREJATJPB-MRXNPFEDSA-N 0 1 347.459 3.278 20 5 EGBDMN O=[N+]([O-])c1ccccc1CN(CCCO[C@H]1CCCCO1)C1CC1 ZINC000338273632 285160285 /nfs/dbraw/zinc/16/02/85/285160285.db2.gz HMVAQKSDSQPNAX-SFHVURJKSA-N 0 1 334.416 3.493 20 5 EGBDMN C[C@@H](NCc1ccc2c(c1)CCC(=O)N2C)c1cccc([N+](=O)[O-])c1 ZINC000187133038 533450240 /nfs/dbraw/zinc/45/02/40/533450240.db2.gz GZBPCHGGDPPCJX-CYBMUJFWSA-N 0 1 339.395 3.355 20 5 EGBDMN O=C1C[C@@H](NCc2ccccc2[N+](=O)[O-])CN1c1ccccc1Cl ZINC000346267465 141188634 /nfs/dbraw/zinc/18/86/34/141188634.db2.gz SUIHMODXZNONAL-CYBMUJFWSA-N 0 1 345.786 3.143 20 5 EGBDMN CCOc1ccccc1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173471772 144042703 /nfs/dbraw/zinc/04/27/03/144042703.db2.gz KTCXLMZKLNDDOL-OAHLLOKOSA-N 0 1 342.399 3.075 20 5 EGBDMN CSc1ccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000173468672 144042906 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CC[C@H]1CCCN([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000248906062 163045954 /nfs/dbraw/zinc/04/59/54/163045954.db2.gz ZZZFUSAAFXPWSF-OLZOCXBDSA-N 0 1 335.404 3.052 20 5 EGBDMN O=[N+]([O-])c1cc(CN[C@]2(CO)CCc3ccccc32)ccc1Cl ZINC000305166252 163076243 /nfs/dbraw/zinc/07/62/43/163076243.db2.gz OQJQYSSQEMWZEV-KRWDZBQOSA-N 0 1 332.787 3.172 20 5 EGBDMN COc1ccc(NC(=O)c2cccc3nc(C)[nH]c32)cc1[N+](=O)[O-] ZINC000338567145 163275919 /nfs/dbraw/zinc/27/59/19/163275919.db2.gz NMPYVFGGNCGTMB-UHFFFAOYSA-N 0 1 326.312 3.040 20 5 EGBDMN Cc1cccc(C(=O)Nc2ccc(-c3nnc[nH]3)cc2F)c1[N+](=O)[O-] ZINC000344325889 164156988 /nfs/dbraw/zinc/15/69/88/164156988.db2.gz YZQWZNBCKXXXAZ-UHFFFAOYSA-N 0 1 341.302 3.080 20 5 EGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@H](c2ccccc2F)C1 ZINC000355208676 166133448 /nfs/dbraw/zinc/13/34/48/166133448.db2.gz GTAMBWHWFLYXJK-LLVKDONJSA-N 0 1 330.315 3.069 20 5 EGBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H](C[C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000367463951 168229891 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1 349.394 3.343 20 5 EGBDMN CC(=O)c1cc(NC2CCN(CCOC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000283754474 275749415 /nfs/dbraw/zinc/74/94/15/275749415.db2.gz LSVAIMILJNEKTM-UHFFFAOYSA-N 0 1 349.431 3.099 20 5 EGBDMN O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2CCO[C@@H]2c2cccnc2)c1 ZINC000284875907 275832597 /nfs/dbraw/zinc/83/25/97/275832597.db2.gz GGMFQXXQZCUIQV-JKSUJKDBSA-N 0 1 333.775 3.263 20 5 EGBDMN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000292044719 276725727 /nfs/dbraw/zinc/72/57/27/276725727.db2.gz FMEHQKIYEGHWEZ-CYBMUJFWSA-N 0 1 327.384 3.147 20 5 EGBDMN CN(Cc1cnn(-c2ccccc2)c1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000349640057 276866582 /nfs/dbraw/zinc/86/65/82/276866582.db2.gz AEVJUCWWLUKLKM-UHFFFAOYSA-N 0 1 338.367 3.118 20 5 EGBDMN C[C@@H](N[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178640702 278379059 /nfs/dbraw/zinc/37/90/59/278379059.db2.gz FMLCYNAGUJYOGS-CHWSQXEVSA-N 0 1 348.424 3.410 20 5 EGBDMN COc1ccc2c(c1)N(Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000339006154 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EGBDMN COc1cccc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1OC ZINC000293779542 308161073 /nfs/dbraw/zinc/16/10/73/308161073.db2.gz QAYIRQNKCBPWCQ-LLVKDONJSA-N 0 1 331.372 3.045 20 5 EGBDMN COc1cccc([C@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000298857065 308644724 /nfs/dbraw/zinc/64/47/24/308644724.db2.gz FNEKRBINHANAFB-QWHCGFSZSA-N 0 1 343.383 3.281 20 5 EGBDMN Cc1c(CN2CCC(C(=O)OC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000330487521 308795615 /nfs/dbraw/zinc/79/56/15/308795615.db2.gz HOSSDSFNDOIQJE-UHFFFAOYSA-N 0 1 334.416 3.457 20 5 EGBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN(C2CCCCC2)CC1 ZINC000332403815 308836556 /nfs/dbraw/zinc/83/65/56/308836556.db2.gz VXMCQHPXCVESPN-UHFFFAOYSA-N 0 1 345.443 3.302 20 5 EGBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](CCO)CC1 ZINC000421023033 309308526 /nfs/dbraw/zinc/30/85/26/309308526.db2.gz VTWAWARMEXNFJL-HNNXBMFYSA-N 0 1 336.432 3.367 20 5 EGBDMN O=C(NC[C@H]1CCCc2ccccc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427922098 309538092 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3.253 20 5 EGBDMN COc1cc(N2CCN(CCc3cccs3)CC2)ccc1[N+](=O)[O-] ZINC000462790294 310605831 /nfs/dbraw/zinc/60/58/31/310605831.db2.gz TVSLDPZWMJBBSB-UHFFFAOYSA-N 0 1 347.440 3.030 20 5 EGBDMN CC(=Cc1cccc([N+](=O)[O-])c1)[C@H]1NC(=N)Nc2nc3ccccc3n21 ZINC000468974518 310696877 /nfs/dbraw/zinc/69/68/77/310696877.db2.gz OLHVSWPEICZBEJ-SLWQEBJJSA-N 0 1 348.366 3.496 20 5 EGBDMN CSc1cccc(C(=O)Nc2ccc3nc[nH]c3c2)c1[N+](=O)[O-] ZINC000487049263 311008563 /nfs/dbraw/zinc/00/85/63/311008563.db2.gz VUXMZAFXMABRSD-UHFFFAOYSA-N 0 1 328.353 3.445 20 5 EGBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)[C@@H](OC)c1ccccc1 ZINC000493894436 311443646 /nfs/dbraw/zinc/44/36/46/311443646.db2.gz OAJYGSBJZYLIFW-SCLBCKFNSA-N 0 1 330.384 3.469 20 5 EGBDMN CN(C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccc2c(c1)OCO2 ZINC000506052450 312041115 /nfs/dbraw/zinc/04/11/15/312041115.db2.gz ZVDLXRFWLXQCKX-XQRVVYSFSA-N 0 1 326.352 3.469 20 5 EGBDMN O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506718501 312053408 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C[C@@H](C(=O)N(C)C1CCCCC1)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000554843757 315352448 /nfs/dbraw/zinc/35/24/48/315352448.db2.gz MVNKDYRDQAZMFA-HNNXBMFYSA-N 0 1 347.459 3.249 20 5 EGBDMN C[C@@H]1CCC[N@@H+](CCCCNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000563887846 316086341 /nfs/dbraw/zinc/08/63/41/316086341.db2.gz BVAUFSMGDSXFLL-CQSZACIVSA-N 0 1 349.431 3.146 20 5 EGBDMN CCN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)[C@@H](C)C(C)C ZINC000565373782 316316867 /nfs/dbraw/zinc/31/68/67/316316867.db2.gz RHKIUFXCSKFYNU-LBPRGKRZSA-N 0 1 330.388 3.492 20 5 EGBDMN C[C@H]1COc2ccccc2CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000570193569 317020976 /nfs/dbraw/zinc/02/09/76/317020976.db2.gz VBBDVBWAIMAUSL-AWEZNQCLSA-N 0 1 328.368 3.257 20 5 EGBDMN C[C@@H](NCc1csc([N+](=O)[O-])c1)[C@H](C)NC(=O)OC(C)(C)C ZINC000381711561 324247867 /nfs/dbraw/zinc/24/78/67/324247867.db2.gz IOCYPQDDEFXODP-ZJUUUORDSA-N 0 1 329.422 3.048 20 5 EGBDMN CC1(C)C[C@H](N[C@@H]2C[C@H]3CCCCN3C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000578847206 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327.384 3.096 20 5 EGBDMN CSc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000042004831 453988293 /nfs/dbraw/zinc/98/82/93/453988293.db2.gz WOMGSTWIXZWKES-UHFFFAOYSA-N 0 1 338.410 3.426 20 5 EGBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(F)c1 ZINC000056196939 454043423 /nfs/dbraw/zinc/04/34/23/454043423.db2.gz GEGZNZVIOROEMG-NWDGAFQWSA-N 0 1 331.347 3.412 20 5 EGBDMN COc1cc([C@@H](C)NCc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000077220987 454077551 /nfs/dbraw/zinc/07/75/51/454077551.db2.gz DZDDQFRGVBYSMB-GFCCVEGCSA-N 0 1 346.383 3.471 20 5 EGBDMN O=[N+]([O-])c1cccc(-c2nc(CNCCOCC(F)F)cs2)c1 ZINC000190888543 455398267 /nfs/dbraw/zinc/39/82/67/455398267.db2.gz NYDQSLQLHRRVCM-UHFFFAOYSA-N 0 1 343.355 3.090 20 5 EGBDMN CN(C)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000045312063 454152091 /nfs/dbraw/zinc/15/20/91/454152091.db2.gz IENTVNMFEGTVQS-AWEZNQCLSA-N 0 1 334.401 3.081 20 5 EGBDMN CCc1nn(C)c(NC[C@@H](c2ccc(C)o2)N2CCCC2)c1[N+](=O)[O-] ZINC000094153398 454190406 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COc1cc(N2CC(N(C)Cc3ccccc3)C2)c(F)cc1[N+](=O)[O-] ZINC000343632574 456759539 /nfs/dbraw/zinc/75/95/39/456759539.db2.gz OXFZFPWAOZRGSG-UHFFFAOYSA-N 0 1 345.374 3.063 20 5 EGBDMN C[C@@H]1CC[C@H](CN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000353592024 456788447 /nfs/dbraw/zinc/78/84/47/456788447.db2.gz ZHQQYDMZKJKTDG-KEYYUXOJSA-N 0 1 328.416 3.444 20 5 EGBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)n[nH]1 ZINC000277448544 456829479 /nfs/dbraw/zinc/82/94/79/456829479.db2.gz PBYWFVXZNPXOKF-ONGXEEELSA-N 0 1 346.391 3.418 20 5 EGBDMN COc1cc(CN(C)[C@@H]2C[C@@](C)(OC)C2(C)C)c([N+](=O)[O-])cc1F ZINC000341274589 456829945 /nfs/dbraw/zinc/82/99/45/456829945.db2.gz GEAHZRWUTMFDMP-NVXWUHKLSA-N 0 1 340.395 3.378 20 5 EGBDMN Cc1c(CN[C@H](C)c2ccc3c(c2)OCC(=O)N3)cccc1[N+](=O)[O-] ZINC000353684457 456853388 /nfs/dbraw/zinc/85/33/88/456853388.db2.gz HIAVGWIYKNUEAD-GFCCVEGCSA-N 0 1 341.367 3.085 20 5 EGBDMN Cc1[nH]nc(C(=O)N(Cc2ccccc2Cl)CC2CC2)c1[N+](=O)[O-] ZINC000341364941 456857156 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1 330.369 3.113 20 5 EGBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H]1C1CCCC1 ZINC000067978348 453985691 /nfs/dbraw/zinc/98/56/91/453985691.db2.gz WOMOSQIRDLYGEA-HNNXBMFYSA-N 0 1 331.416 3.496 20 5 EGBDMN Cc1ccsc1CN(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000042018059 453988928 /nfs/dbraw/zinc/98/89/28/453988928.db2.gz JJBZLVVTWKNDAA-UHFFFAOYSA-N 0 1 330.369 3.113 20 5 EGBDMN COc1ccc(CN2CC[C@H](Nc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000076757674 454033942 /nfs/dbraw/zinc/03/39/42/454033942.db2.gz ANVCNXKEIRWOER-INIZCTEOSA-N 0 1 327.384 3.290 20 5 EGBDMN CN(C)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000043467435 454062928 /nfs/dbraw/zinc/06/29/28/454062928.db2.gz CEVTUWPKGRQIHF-MRXNPFEDSA-N 0 1 346.362 3.158 20 5 EGBDMN O=C(NCc1ccccc1Cl)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000045287324 454150704 /nfs/dbraw/zinc/15/07/04/454150704.db2.gz DIWQMHQGLPZJOO-UHFFFAOYSA-N 0 1 330.731 3.055 20 5 EGBDMN Cc1c2ccccc2oc1[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(C)C ZINC000119380840 454190220 /nfs/dbraw/zinc/19/02/20/454190220.db2.gz LHCCFRIAYKRNDA-CQSZACIVSA-N 0 1 342.355 3.500 20 5 EGBDMN CC(C)Cc1ccc([C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C2CC2)cc1 ZINC000130452655 454199092 /nfs/dbraw/zinc/19/90/92/454199092.db2.gz SCUBXTXWVSKJKG-INIZCTEOSA-N 0 1 342.399 3.398 20 5 EGBDMN CC[C@@H](C)N(Cc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000078252161 454217418 /nfs/dbraw/zinc/21/74/18/454217418.db2.gz IXCGPXYLUIISBD-CQSZACIVSA-N 0 1 341.411 3.494 20 5 EGBDMN Cc1ccc([C@@H](C)N[C@@H]2CCN(C3CCCCC3)C2=O)cc1[N+](=O)[O-] ZINC000090464007 454309678 /nfs/dbraw/zinc/30/96/78/454309678.db2.gz CXYZDLMRZJQOJH-RHSMWYFYSA-N 0 1 345.443 3.487 20 5 EGBDMN CCOc1ccc(NC(=O)CN2C[C@H](C)C[C@@H]2CC)c([N+](=O)[O-])c1 ZINC000072697927 454329192 /nfs/dbraw/zinc/32/91/92/454329192.db2.gz MCVCBTDHZWUNHQ-OLZOCXBDSA-N 0 1 335.404 3.052 20 5 EGBDMN CC[C@H](CSC)N(C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000091098151 454383246 /nfs/dbraw/zinc/38/32/46/454383246.db2.gz PRUWRTPZOQGNAP-GFCCVEGCSA-N 0 1 336.417 3.218 20 5 EGBDMN Cc1ccc(F)c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000103201228 454542877 /nfs/dbraw/zinc/54/28/77/454542877.db2.gz ATDFWMCOGSFJGA-UHFFFAOYSA-N 0 1 341.302 3.080 20 5 EGBDMN Cc1cccc(C(=O)N2CCN(CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000050008784 454569391 /nfs/dbraw/zinc/56/93/91/454569391.db2.gz KITQLIOFTDPJDW-UHFFFAOYSA-N 0 1 345.443 3.241 20 5 EGBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000092670516 454606232 /nfs/dbraw/zinc/60/62/32/454606232.db2.gz KQEVGBIBJJLZPC-UHFFFAOYSA-N 0 1 328.368 3.418 20 5 EGBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000092670516 454606235 /nfs/dbraw/zinc/60/62/35/454606235.db2.gz KQEVGBIBJJLZPC-UHFFFAOYSA-N 0 1 328.368 3.418 20 5 EGBDMN CCN(CC)[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000104870356 454608919 /nfs/dbraw/zinc/60/89/19/454608919.db2.gz YSEMHMWPPGXXAK-SFHVURJKSA-N 0 1 341.411 3.294 20 5 EGBDMN CCOc1ccc([C@H](C)NCc2c(C)nn(C)c2C)cc1[N+](=O)[O-] ZINC000153445612 454794711 /nfs/dbraw/zinc/79/47/11/454794711.db2.gz QKYUCGJOPHJWMX-NSHDSACASA-N 0 1 332.404 3.195 20 5 EGBDMN COc1ccc(OCCN2CCC[C@@H]2c2ccncc2)c([N+](=O)[O-])c1 ZINC000154021104 454857144 /nfs/dbraw/zinc/85/71/44/454857144.db2.gz IAQBZWZXWOZCBF-MRXNPFEDSA-N 0 1 343.383 3.214 20 5 EGBDMN C[C@H](NCc1ccc(N2CCCC2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000178642714 454966111 /nfs/dbraw/zinc/96/61/11/454966111.db2.gz RFNPJECDRWIDSW-AWEZNQCLSA-N 0 1 326.400 3.441 20 5 EGBDMN CN(C[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000170918931 454999225 /nfs/dbraw/zinc/99/92/25/454999225.db2.gz UZGBOOFYFLVIAW-AWEZNQCLSA-N 0 1 349.431 3.284 20 5 EGBDMN Cc1ccc(C[C@@H](C)NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)s1 ZINC000129477271 455112684 /nfs/dbraw/zinc/11/26/84/455112684.db2.gz OHWRTHXICHIHIX-SECBINFHSA-N 0 1 344.396 3.202 20 5 EGBDMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000156711537 455145889 /nfs/dbraw/zinc/14/58/89/455145889.db2.gz MASVSFWHIOEUQJ-UHFFFAOYSA-N 0 1 337.339 3.249 20 5 EGBDMN CC1([C@H]2CCCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)OCCO1 ZINC000183863867 455334226 /nfs/dbraw/zinc/33/42/26/455334226.db2.gz XDIGYZFPKSVHRO-ZDUSSCGKSA-N 0 1 340.807 3.223 20 5 EGBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000245586275 455336094 /nfs/dbraw/zinc/33/60/94/455336094.db2.gz JWRPICUVZNOMMD-YOEHRIQHSA-N 0 1 344.415 3.273 20 5 EGBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000174236992 455372535 /nfs/dbraw/zinc/37/25/35/455372535.db2.gz VRBOJHLFLVGNJL-TZMCWYRMSA-N 0 1 342.399 3.146 20 5 EGBDMN Cc1ccc([C@@H](C)NCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000181830662 455387450 /nfs/dbraw/zinc/38/74/50/455387450.db2.gz NRAXCWCUWQCTKU-SOUVJXGZSA-N 0 1 333.432 3.343 20 5 EGBDMN C[C@H](NCC(=O)Nc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000182021976 455417899 /nfs/dbraw/zinc/41/78/99/455417899.db2.gz VAXWZCWECSHOIX-JTQLQIEISA-N 0 1 335.310 3.162 20 5 EGBDMN Cc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1O ZINC000191797458 455520111 /nfs/dbraw/zinc/52/01/11/455520111.db2.gz YERGWMFZVQPEHE-UHFFFAOYSA-N 0 1 336.369 3.026 20 5 EGBDMN CCc1[nH]nc(C(=O)N(Cc2ccoc2)C2CCCCC2)c1[N+](=O)[O-] ZINC000185728537 455607146 /nfs/dbraw/zinc/60/71/46/455607146.db2.gz RDDZEXZSZYJGFI-UHFFFAOYSA-N 0 1 346.387 3.448 20 5 EGBDMN C[C@H](N[C@@H]1CCN(Cc2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000271419841 455629415 /nfs/dbraw/zinc/62/94/15/455629415.db2.gz BMEHQXKKBUQFGY-KBXCAEBGSA-N 0 1 339.395 3.047 20 5 EGBDMN CCC[C@@H]1CCCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000185858536 455636201 /nfs/dbraw/zinc/63/62/01/455636201.db2.gz KXGAFVZXXDCUCD-CYBMUJFWSA-N 0 1 335.404 3.197 20 5 EGBDMN CN(C)c1cccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000193050700 455739204 /nfs/dbraw/zinc/73/92/04/455739204.db2.gz OUGJVHOSYWXNHP-QGZVFWFLSA-N 0 1 326.400 3.223 20 5 EGBDMN Cc1cc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])ccc1-c1ccccc1 ZINC000186820491 455840979 /nfs/dbraw/zinc/84/09/79/455840979.db2.gz YLRFQHCJCCLPOX-UHFFFAOYSA-N 0 1 336.351 3.223 20 5 EGBDMN CC(=O)c1cc(N[C@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000285583901 455876319 /nfs/dbraw/zinc/87/63/19/455876319.db2.gz KSZKPJPQTYMLEJ-KRWDZBQOSA-N 0 1 339.395 3.484 20 5 EGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCCCC[C@@H]1c1ccncc1 ZINC000272605451 456010949 /nfs/dbraw/zinc/01/09/49/456010949.db2.gz YHRGXVATSSXAEO-QGZVFWFLSA-N 0 1 341.367 3.453 20 5 EGBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000270781882 456036886 /nfs/dbraw/zinc/03/68/86/456036886.db2.gz UCQGBMQBGQDWDJ-NSHDSACASA-N 0 1 346.391 3.336 20 5 EGBDMN CNC(=O)C1CCC(Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000272897831 456105258 /nfs/dbraw/zinc/10/52/58/456105258.db2.gz ZFDIFVALUPHNDW-UHFFFAOYSA-N 0 1 342.399 3.168 20 5 EGBDMN C[N@@H+](CCC(=O)[O-])Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000263424743 456146532 /nfs/dbraw/zinc/14/65/32/456146532.db2.gz QDOVAJOMKWGHCX-UHFFFAOYSA-N 0 1 338.747 3.415 20 5 EGBDMN CSCCCN(C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000281222065 456169434 /nfs/dbraw/zinc/16/94/34/456169434.db2.gz BUBZPZKYYLYKMH-SNVBAGLBSA-N 0 1 345.852 3.260 20 5 EGBDMN CCC[C@H]1CN(c2ncccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000302004299 456267763 /nfs/dbraw/zinc/26/77/63/456267763.db2.gz KEKYIWSSHJVUAI-KRWDZBQOSA-N 0 1 340.427 3.481 20 5 EGBDMN C[C@H](NCC(=O)N1CCC[C@H]2CCCC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000298119345 456368046 /nfs/dbraw/zinc/36/80/46/456368046.db2.gz KCLCNYCBDMSYNZ-YXJHDRRASA-N 0 1 345.443 3.427 20 5 EGBDMN CCOc1cc(CN2CC[C@H](COC(F)F)C2)ccc1[N+](=O)[O-] ZINC000353029211 456447655 /nfs/dbraw/zinc/44/76/55/456447655.db2.gz PNAXHINIAXDFQS-LBPRGKRZSA-N 0 1 330.331 3.055 20 5 EGBDMN COc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000299375611 456672910 /nfs/dbraw/zinc/67/29/10/456672910.db2.gz FZWRAKGUBPOHJN-CHWSQXEVSA-N 0 1 343.383 3.281 20 5 EGBDMN CCN(Cc1ccc(Cl)s1)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000299441508 456694326 /nfs/dbraw/zinc/69/43/26/456694326.db2.gz KSZMTIAQGFORRG-UHFFFAOYSA-N 0 1 328.781 3.004 20 5 EGBDMN CCN(CC)[C@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccco1 ZINC000299678052 456763137 /nfs/dbraw/zinc/76/31/37/456763137.db2.gz QZTJBGCQIWPBIL-OAHLLOKOSA-N 0 1 349.362 3.140 20 5 EGBDMN Cn1c(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)ccc1[N+](=O)[O-] ZINC000340924658 456763651 /nfs/dbraw/zinc/76/36/51/456763651.db2.gz OOIFBVAKHFVAEQ-UHFFFAOYSA-N 0 1 339.355 3.329 20 5 EGBDMN CC(C)c1ccc(CN2C[C@@H](N3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000348556007 456765090 /nfs/dbraw/zinc/76/50/90/456765090.db2.gz OBELJRRWMMFYFF-RDJZCZTQSA-N 0 1 347.459 3.013 20 5 EGBDMN CCN1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H](C)C1 ZINC000348560948 456767923 /nfs/dbraw/zinc/76/79/23/456767923.db2.gz WHZXVWYFXTYXQA-CYBMUJFWSA-N 0 1 346.456 3.244 20 5 EGBDMN CCc1[nH]nc(C(=O)N(C)[C@@H](CC)c2cccc(OC)c2)c1[N+](=O)[O-] ZINC000291856309 456777955 /nfs/dbraw/zinc/77/79/55/456777955.db2.gz VLRONDKLIRRFMG-AWEZNQCLSA-N 0 1 346.387 3.112 20 5 EGBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(CCCO)Cc1ccccn1 ZINC000349293553 456934333 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O=[N+]([O-])c1cccc(-c2nc(CNCCC3(O)CCC3)cs2)c1 ZINC000284163066 275778886 /nfs/dbraw/zinc/77/88/86/275778886.db2.gz WLRKQVONMKZUTP-UHFFFAOYSA-N 0 1 333.413 3.113 20 5 EGBDMN C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356765942 277804587 /nfs/dbraw/zinc/80/45/87/277804587.db2.gz JJNMZDHICCNKFH-QGHHPUGFSA-N 0 1 344.342 3.493 20 5 EGBDMN C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356805441 279129806 /nfs/dbraw/zinc/12/98/06/279129806.db2.gz REFZZHOTABRGJA-SECBINFHSA-N 0 1 348.305 3.338 20 5 EGBDMN COC(=O)[C@H](C)[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000079922068 307429932 /nfs/dbraw/zinc/42/99/32/307429932.db2.gz CLCLGXZSPWTEDK-CXAGYDPISA-N 0 1 328.368 3.235 20 5 EGBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc2ncccc21 ZINC000135739268 307706732 /nfs/dbraw/zinc/70/67/32/307706732.db2.gz PLMMXOPFBCGDDY-UHFFFAOYSA-N 0 1 343.364 3.252 20 5 EGBDMN CCCN1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000156957483 307840216 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20 5 EGBDMN O=[N+]([O-])c1c(F)cccc1N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC001354040216 1392117898 /nfs/dbraw/zinc/11/78/98/1392117898.db2.gz BJQLEZPEKAJJME-NSHDSACASA-N 0 1 331.351 3.113 20 5 EGBDMN CCN(CCNCc1ccccc1[N+](=O)[O-])C(=O)C1CCC=CCC1 ZINC001754082083 1440539400 /nfs/dbraw/zinc/53/94/00/1440539400.db2.gz MUCJTTTXIYRHES-UHFFFAOYSA-N 0 1 345.443 3.279 20 5 EGBDMN CCc1ccc2c(c1)C[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])CC2 ZINC001597568433 988325484 /nfs/dbraw/zinc/32/54/84/988325484.db2.gz IIAOUCGHXYHYJS-UHFFFAOYSA-N 0 1 340.379 3.414 20 5 EGBDMN CCc1ccc2c(c1)C[N@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])CC2 ZINC001597568433 988325497 /nfs/dbraw/zinc/32/54/97/988325497.db2.gz IIAOUCGHXYHYJS-UHFFFAOYSA-N 0 1 340.379 3.414 20 5 EGBDMN Cc1ccc([C@H](C)N[C@H](C)C(=O)NCc2cccs2)cc1[N+](=O)[O-] ZINC000178687735 232377905 /nfs/dbraw/zinc/37/79/05/232377905.db2.gz KZIVUIGVAUBRNO-QWHCGFSZSA-N 0 1 347.440 3.320 20 5 EGBDMN Cc1ccc([C@@H](C)NCC(=O)N2[C@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000181830620 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348.428 3.389 20 5 EGBDMN COc1ccc([C@H](CO)N(C)Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000264932964 247057858 /nfs/dbraw/zinc/05/78/58/247057858.db2.gz QHRWEOMUBYEXIC-SFHVURJKSA-N 0 1 330.384 3.077 20 5 EGBDMN Cc1ccc(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)cc1[N+](=O)[O-] ZINC000010018722 140761953 /nfs/dbraw/zinc/76/19/53/140761953.db2.gz FZNBRMCPRZWEQE-KRWDZBQOSA-N 0 1 345.374 3.075 20 5 EGBDMN C[C@H](N[C@H]1C[C@H](C)N(c2ccccc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000173449709 144042228 /nfs/dbraw/zinc/04/22/28/144042228.db2.gz QPKGAUGWPZRJRA-DEYYWGMASA-N 0 1 339.395 3.439 20 5 EGBDMN COc1ccc(CN2CC[C@@]3(C2)OCc2ccccc23)cc1[N+](=O)[O-] ZINC000186443671 144133686 /nfs/dbraw/zinc/13/36/86/144133686.db2.gz KHPDHFBENVUQTR-IBGZPJMESA-N 0 1 340.379 3.235 20 5 EGBDMN COC(=O)c1ccccc1CCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000186494973 144135483 /nfs/dbraw/zinc/13/54/83/144135483.db2.gz MFHFSQFHWRURSF-UHFFFAOYSA-N 0 1 328.368 3.056 20 5 EGBDMN CC(C)c1ccccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000344770626 144222484 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20 5 EGBDMN Cc1c(C(=O)O[C@@H](C)c2ccccc2[N+](=O)[O-])ccc2cncn21 ZINC001288218991 1381733124 /nfs/dbraw/zinc/73/31/24/1381733124.db2.gz JKJJHZBSBMDYAD-LBPRGKRZSA-N 0 1 325.324 3.469 20 5 EGBDMN O=C1NC(=O)[C@@H](Nc2nc3c(ccc4ccccc43)nc2Cl)S1 ZINC001163665748 1383098918 /nfs/dbraw/zinc/09/89/18/1383098918.db2.gz OCTIASNBFGPBEF-AWEZNQCLSA-N 0 1 344.783 3.157 20 5 EGBDMN COCC1CCN([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173186764 1384933678 /nfs/dbraw/zinc/93/36/78/1384933678.db2.gz UHNMEPGPHYJHAP-GFCCVEGCSA-N 0 1 340.395 3.032 20 5 EGBDMN CCC[C@@H](N[C@H](C)C(=O)NCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC001319849662 1386333857 /nfs/dbraw/zinc/33/38/57/1386333857.db2.gz RYBOJSMXIDCESR-ZWNOBZJWSA-N 0 1 347.337 3.093 20 5 EGBDMN O=C(NCCc1c(F)cccc1Cl)c1cc(O)cc([N+](=O)[O-])c1 ZINC001320195815 1386555366 /nfs/dbraw/zinc/55/53/66/1386555366.db2.gz PGASAVPXBGXDSX-UHFFFAOYSA-N 0 1 338.722 3.065 20 5 EGBDMN Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cccc([N+](=O)[O-])c2)n1 ZINC001340938627 1390408965 /nfs/dbraw/zinc/40/89/65/1390408965.db2.gz AINBVRGTCLHVHT-QGZVFWFLSA-N 0 1 326.400 3.375 20 5 EGBDMN CCOc1ccc(CN(C)Cc2cc(O)ccc2[N+](=O)[O-])cc1OC ZINC001343877338 1390741699 /nfs/dbraw/zinc/74/16/99/1390741699.db2.gz BAFGZDSFVLPMKR-UHFFFAOYSA-N 0 1 346.383 3.340 20 5 EGBDMN O=C(OCc1cc(C2CC2)[nH]n1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001344122328 1390757100 /nfs/dbraw/zinc/75/71/00/1390757100.db2.gz KONYAFMIIIJUOT-CABCVRRESA-N 0 1 327.340 3.042 20 5 EGBDMN Cc1cc(C[C@@H](C)Nc2ccc([N+](=O)[O-])cc2OC(F)F)[nH]n1 ZINC001348042072 1391164376 /nfs/dbraw/zinc/16/43/76/1391164376.db2.gz GAJOHZHZLKSFGE-MRVPVSSYSA-N 0 1 326.303 3.271 20 5 EGBDMN O=[N+]([O-])c1cn(CN2CC[C@H]3CCCC[C@@H]3C2)nc1-c1ccccn1 ZINC001350479494 1391469406 /nfs/dbraw/zinc/46/94/06/1391469406.db2.gz HWJINKJHBSILQS-HUUCEWRRSA-N 0 1 341.415 3.323 20 5 EGBDMN O=[N+]([O-])c1cn(CN2CC[C@H]3CCCC[C@H]3C2)nc1-c1ccccn1 ZINC001350479489 1391469574 /nfs/dbraw/zinc/46/95/74/1391469574.db2.gz HWJINKJHBSILQS-CABCVRRESA-N 0 1 341.415 3.323 20 5 EGBDMN CCCN(CCNC(=O)c1cocc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001753147086 1440324897 /nfs/dbraw/zinc/32/48/97/1440324897.db2.gz RWEXTCUXTLYJDN-UHFFFAOYSA-N 0 1 345.399 3.138 20 5 EGBDMN CC(C)(C)/C=C\C(=O)NCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001753152865 1440329305 /nfs/dbraw/zinc/32/93/05/1440329305.db2.gz QGQDJLUFVTWFAU-KHPPLWFESA-N 0 1 345.443 3.278 20 5 EGBDMN CCCCC(=O)NC1(C)CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001754624356 1440645942 /nfs/dbraw/zinc/64/59/42/1440645942.db2.gz LHCXNGSUYAMKPD-UHFFFAOYSA-N 0 1 333.432 3.256 20 5 EGBDMN CN(CCCN(C)C(=O)/C=C\C(C)(C)C)Cc1ccccc1[N+](=O)[O-] ZINC001755035484 1440734111 /nfs/dbraw/zinc/73/41/11/1440734111.db2.gz USLSXUSSNTUJMX-QXMHVHEDSA-N 0 1 347.459 3.477 20 5 EGBDMN c1cnc2c(c1)ccc1ccc(N3CCN(C[C@H]4CCCO4)CC3)nc12 ZINC001165040102 721904666 /nfs/dbraw/zinc/90/46/66/721904666.db2.gz YIRVLPRRTCJBMV-GOSISDBHSA-N 0 1 348.450 3.084 20 5 EGBDMN C[C@](CC(=O)[O-])([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccncc1 ZINC001592327878 977743748 /nfs/dbraw/zinc/74/37/48/977743748.db2.gz GLGFTSIKHPBRHL-MRXNPFEDSA-N 0 1 349.774 3.123 20 5 EGBDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@H]1CC(=O)[O-] ZINC000902559310 980932030 /nfs/dbraw/zinc/93/20/30/980932030.db2.gz ITWNEBDSJUOQHA-RKDXNWHRSA-N 0 1 347.198 3.444 20 5 EGBDMN CC(C)([NH2+]Cc1ccc(/C=C\C(=O)[O-])o1)c1ccccc1[N+](=O)[O-] ZINC001590871500 990778212 /nfs/dbraw/zinc/77/82/12/990778212.db2.gz XHCZTFZZRKNMMR-KTKRTIGZSA-N 0 1 330.340 3.311 20 5 EGBDMN C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(C(=O)[O-])cc1F ZINC001598501064 992435892 /nfs/dbraw/zinc/43/58/92/992435892.db2.gz BZTMJRFXKZBCJM-UHFFFAOYSA-N 0 1 332.331 3.107 20 5 EGBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000369420455 242005966 /nfs/dbraw/zinc/00/59/66/242005966.db2.gz UUIZNUZRIXHAEP-LSDHHAIUSA-N 0 1 334.416 3.242 20 5 EGBDMN CCCO[C@H]1CCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000108391428 204261587 /nfs/dbraw/zinc/26/15/87/204261587.db2.gz JIWBLUWDFNPOLC-YOEHRIQHSA-N 0 1 349.431 3.203 20 5 EGBDMN CCN(CC)[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccco1 ZINC000133740899 205376281 /nfs/dbraw/zinc/37/62/81/205376281.db2.gz FPUOEBPPVIQVRE-HNNXBMFYSA-N 0 1 349.362 3.140 20 5 EGBDMN CCCc1[nH]nc(C(=O)N(C)C[C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000264667447 246758234 /nfs/dbraw/zinc/75/82/34/246758234.db2.gz KPGJIKXQVCSXLQ-LBPRGKRZSA-N 0 1 330.388 3.146 20 5 EGBDMN C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccc(N2CCOC2=O)cc1 ZINC000171128750 206662472 /nfs/dbraw/zinc/66/24/72/206662472.db2.gz NGSWANQZDIMHLU-CYBMUJFWSA-N 0 1 341.367 3.402 20 5 EGBDMN C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000177560202 207353283 /nfs/dbraw/zinc/35/32/83/207353283.db2.gz JXSIEFNJXPWELX-GUYCJALGSA-N 0 1 339.395 3.072 20 5 EGBDMN CN(Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1N1CCOCC1 ZINC000015038175 135706833 /nfs/dbraw/zinc/70/68/33/135706833.db2.gz XCDSQVHNSNTHMC-UHFFFAOYSA-N 0 1 341.411 3.063 20 5 EGBDMN Cc1cc(C)cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000237634925 141011270 /nfs/dbraw/zinc/01/12/70/141011270.db2.gz FOFZCWXYLSFZPH-MRXNPFEDSA-N 0 1 326.400 3.293 20 5 EGBDMN O=C1C[C@H](NCc2cccc([N+](=O)[O-])c2)CN1c1ccccc1Cl ZINC000342976872 141154876 /nfs/dbraw/zinc/15/48/76/141154876.db2.gz FQIAAGXXEHTNFJ-ZDUSSCGKSA-N 0 1 345.786 3.143 20 5 EGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000356332353 141342504 /nfs/dbraw/zinc/34/25/04/141342504.db2.gz DRJHYPMGAAAIPL-MRXNPFEDSA-N 0 1 330.315 3.417 20 5 EGBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC2(CCCC2)C1 ZINC000173829518 144049214 /nfs/dbraw/zinc/04/92/14/144049214.db2.gz DEQRLRARJCIYNZ-ZDUSSCGKSA-N 0 1 347.415 3.197 20 5 EGBDMN C[C@@H](N[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178650996 144073999 /nfs/dbraw/zinc/07/39/99/144073999.db2.gz BIVKTKVCJXHFNZ-UKRRQHHQSA-N 0 1 325.368 3.051 20 5 EGBDMN COc1ccccc1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000351500284 144270246 /nfs/dbraw/zinc/27/02/46/144270246.db2.gz RVZOLVUIUCXQCR-UHFFFAOYSA-N 0 1 336.369 3.021 20 5 EGBDMN CCOC(=O)C[C@@](C)(NCc1c(F)cc([N+](=O)[O-])cc1F)C(C)C ZINC000351813735 144310192 /nfs/dbraw/zinc/31/01/92/144310192.db2.gz IHJDQCZDECAGFL-MRXNPFEDSA-N 0 1 344.358 3.331 20 5 EGBDMN Cc1c(Cl)cc(S(=O)(=O)Nc2cccc(O)c2)cc1[N+](=O)[O-] ZINC000119803881 152229536 /nfs/dbraw/zinc/22/95/36/152229536.db2.gz OCHAYCHOJKWFJP-UHFFFAOYSA-N 0 1 342.760 3.063 20 5 EGBDMN C[C@@H]1C[C@H]1[C@@H](NCc1c([N+](=O)[O-])ncn1C)c1ccc(Cl)cc1 ZINC000343400647 155793362 /nfs/dbraw/zinc/79/33/62/155793362.db2.gz IFBLMXKKVXSZFC-YVLXSGLVSA-N 0 1 334.807 3.469 20 5 EGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H](c2ccccc2)C1 ZINC000348920492 156287816 /nfs/dbraw/zinc/28/78/16/156287816.db2.gz OXANVAKSGRFYBT-AWEZNQCLSA-N 0 1 326.352 3.320 20 5 EGBDMN Cc1cc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1F ZINC000093534419 162015646 /nfs/dbraw/zinc/01/56/46/162015646.db2.gz GGNXKFWOZVTDMA-AWEZNQCLSA-N 0 1 330.363 3.124 20 5 EGBDMN Cc1cccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1C ZINC000109627481 162108329 /nfs/dbraw/zinc/10/83/29/162108329.db2.gz RVNDINKSDYYURR-UHFFFAOYSA-N 0 1 337.339 3.249 20 5 EGBDMN Cc1ccc(C)c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000109627484 162109048 /nfs/dbraw/zinc/10/90/48/162109048.db2.gz JLWAJQZNCOJRGQ-UHFFFAOYSA-N 0 1 337.339 3.249 20 5 EGBDMN COc1ccc(NC(=O)[C@@H](C)N2CCCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000248567848 163014704 /nfs/dbraw/zinc/01/47/04/163014704.db2.gz POTWZCYKAHGTQG-QWHCGFSZSA-N 0 1 335.404 3.052 20 5 EGBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(N(C)C)[nH]c2c1 ZINC000344088285 164100746 /nfs/dbraw/zinc/10/07/46/164100746.db2.gz REQIMJAKLLFMTD-UHFFFAOYSA-N 0 1 339.355 3.098 20 5 EGBDMN Cc1[nH]nc(C(=O)N(CCc2ccccc2)C2CCCC2)c1[N+](=O)[O-] ZINC000354816956 166039422 /nfs/dbraw/zinc/03/94/22/166039422.db2.gz VKDXGMBFHVSCOI-UHFFFAOYSA-N 0 1 342.399 3.254 20 5 EGBDMN CC(C)[C@@H](O)CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000344441673 164178983 /nfs/dbraw/zinc/17/89/83/164178983.db2.gz ILCUKFFKALAYPD-HNNXBMFYSA-N 0 1 335.429 3.215 20 5 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O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000339080970 456931175 /nfs/dbraw/zinc/93/11/75/456931175.db2.gz UFVGEOHBHCBGHU-CQSZACIVSA-N 0 1 328.368 3.201 20 5 EGBDMN Cc1ccnc(OC2CCN(Cc3cc(O)ccc3[N+](=O)[O-])CC2)c1 ZINC000339083107 456932536 /nfs/dbraw/zinc/93/25/36/456932536.db2.gz ZCMJUOURALPGFZ-UHFFFAOYSA-N 0 1 343.383 3.047 20 5 EGBDMN Cc1ccc([C@H](C)NCc2ccc3c(c2)C(=O)NCC3)cc1[N+](=O)[O-] ZINC000349685963 457015938 /nfs/dbraw/zinc/01/59/38/457015938.db2.gz QZVSKLBIJVBCMS-ZDUSSCGKSA-N 0 1 339.395 3.040 20 5 EGBDMN CN1CCN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1Cc1ccccc1 ZINC000341974656 457035898 /nfs/dbraw/zinc/03/58/98/457035898.db2.gz RIVMJQKXAVLHFB-SFHVURJKSA-N 0 1 343.402 3.093 20 5 EGBDMN Cc1ccccc1[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CC1 ZINC000356569908 457061254 /nfs/dbraw/zinc/06/12/54/457061254.db2.gz AOGQJXHPTLGFGP-KRWDZBQOSA-N 0 1 326.352 3.490 20 5 EGBDMN CC[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000356575758 457064007 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EGBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC001322103816 1387054296 /nfs/dbraw/zinc/05/42/96/1387054296.db2.gz KPNDXXHNAXDUGO-UHFFFAOYSA-N 0 1 342.403 3.055 20 5 EGBDMN COC(=O)c1cc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC001333682019 1390373572 /nfs/dbraw/zinc/37/35/72/1390373572.db2.gz FTSYQSHOYTZJHT-UHFFFAOYSA-N 0 1 334.397 3.468 20 5 EGBDMN O=C(CC1=CCCCC1)NCC1(NCc2cccc([N+](=O)[O-])c2)CC1 ZINC001754511130 1440617648 /nfs/dbraw/zinc/61/76/48/1440617648.db2.gz TUIGGVRMDPUMQA-UHFFFAOYSA-N 0 1 343.427 3.224 20 5 EGBDMN COc1ccccc1[C@@H](C)[NH2+]Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599718503 991496653 /nfs/dbraw/zinc/49/66/53/991496653.db2.gz DTSGCWXOVSVTSU-LLVKDONJSA-N 0 1 330.340 3.152 20 5 EGBDMN C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@@H](C(=O)[O-])c1ccccc1F ZINC001598501950 992446030 /nfs/dbraw/zinc/44/60/30/992446030.db2.gz HLQRRQIPMPCWDJ-MRXNPFEDSA-N 0 1 332.331 3.034 20 5 EGBDMN CC(C)[N@@H+](Cc1cc(C(=O)[O-])n(C)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC001591600360 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O=[N+]([O-])c1ccccc1CN1CCC(CO)(Cc2ccccc2)CC1 ZINC000277874165 455693222 /nfs/dbraw/zinc/69/32/22/455693222.db2.gz UYRYEBFXOJCGQX-UHFFFAOYSA-N 0 1 340.423 3.412 20 5 EGBDMN Cc1n[nH]c([C@@H]2CCCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)n1 ZINC000269044562 455773341 /nfs/dbraw/zinc/77/33/41/455773341.db2.gz MBQOFJYALIITBA-GFCCVEGCSA-N 0 1 335.795 3.054 20 5 EGBDMN CC[C@@H]1CN(c2cccnc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000612664533 460692014 /nfs/dbraw/zinc/69/20/14/460692014.db2.gz UXQXRZJYTRGFRO-MRXNPFEDSA-N 0 1 326.400 3.091 20 5 EGBDMN CN(CCc1ccccc1[N+](=O)[O-])[C@@H]1CCc2ccccc2NC1=O ZINC000285301603 455820627 /nfs/dbraw/zinc/82/06/27/455820627.db2.gz LERQHBMMGIOYOB-GOSISDBHSA-N 0 1 339.395 3.023 20 5 EGBDMN CCOC(=O)c1ccc(CN(C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000285407391 455838202 /nfs/dbraw/zinc/83/82/02/455838202.db2.gz UNJWJUIPRDIFEH-UHFFFAOYSA-N 0 1 332.356 3.039 20 5 EGBDMN COCCCOc1ccc(CNCc2cccc([N+](=O)[O-])c2)cc1 ZINC000285505821 455860013 /nfs/dbraw/zinc/86/00/13/455860013.db2.gz JMMFMCCFRRYUGX-UHFFFAOYSA-N 0 1 330.384 3.300 20 5 EGBDMN CC(C)c1nc([C@H](C)NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)n[nH]1 ZINC000270794192 456040469 /nfs/dbraw/zinc/04/04/69/456040469.db2.gz VOJZXVFHGLMUDZ-VIFPVBQESA-N 0 1 343.343 3.074 20 5 EGBDMN COC[C@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000271154519 456144269 /nfs/dbraw/zinc/14/42/69/456144269.db2.gz CIWXMEAGVNMUIY-LBPRGKRZSA-N 0 1 333.413 3.187 20 5 EGBDMN C[C@]1(NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCO[C@H]1C1CC1 ZINC000273110592 456181473 /nfs/dbraw/zinc/18/14/73/456181473.db2.gz XLBALHREKRGHLD-WMZOPIPTSA-N 0 1 343.383 3.297 20 5 EGBDMN Cc1ccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000263687755 456192151 /nfs/dbraw/zinc/19/21/51/456192151.db2.gz HZBLPZHDWUGWMW-MRXNPFEDSA-N 0 1 343.383 3.063 20 5 EGBDMN CC(C)c1nc([C@H](C)NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)n[nH]1 ZINC000275964400 456360531 /nfs/dbraw/zinc/36/05/31/456360531.db2.gz CFRLKWOSOWUXKV-NSHDSACASA-N 0 1 345.403 3.451 20 5 EGBDMN Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1ccc2c(c1)COC2 ZINC000352880141 456386705 /nfs/dbraw/zinc/38/67/05/456386705.db2.gz ZMFONBPAIDJKLJ-UHFFFAOYSA-N 0 1 348.380 3.043 20 5 EGBDMN CC1(C)[C@@H](C(F)(F)F)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000276158321 456402238 /nfs/dbraw/zinc/40/22/38/456402238.db2.gz HIIHKYVJSGWNOG-STQMWFEESA-N 0 1 332.322 3.291 20 5 EGBDMN C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)C1 ZINC000343263696 456493592 /nfs/dbraw/zinc/49/35/92/456493592.db2.gz NCILVVVIPDMWBR-CYBMUJFWSA-N 0 1 342.399 3.407 20 5 EGBDMN C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)C1 ZINC000343263696 456493599 /nfs/dbraw/zinc/49/35/99/456493599.db2.gz NCILVVVIPDMWBR-CYBMUJFWSA-N 0 1 342.399 3.407 20 5 EGBDMN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cc(F)cc2c1OCOC2 ZINC000282514644 456537963 /nfs/dbraw/zinc/53/79/63/456537963.db2.gz SLJWAXXCHZLUMR-UHFFFAOYSA-N 0 1 346.358 3.275 20 5 EGBDMN COc1cc([N+](=O)[O-])ccc1CN[C@H](C)c1ccc2n[nH]cc2c1 ZINC000353186990 456546988 /nfs/dbraw/zinc/54/69/88/456546988.db2.gz FEFDPIUBJVZCGB-LLVKDONJSA-N 0 1 326.356 3.331 20 5 EGBDMN COc1cccc([C@H](C)N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000298893115 456564374 /nfs/dbraw/zinc/56/43/74/456564374.db2.gz YINSFWSLHPVJKG-STQMWFEESA-N 0 1 343.383 3.281 20 5 EGBDMN CCOc1cc(CN2CCC[C@H](c3nc(C)no3)C2)ccc1[N+](=O)[O-] ZINC000276859347 456601105 /nfs/dbraw/zinc/60/11/05/456601105.db2.gz GBUMCBOCYWVQSE-AWEZNQCLSA-N 0 1 346.387 3.065 20 5 EGBDMN CCOc1cc(CN(C)[C@@H](CO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000276860925 456601853 /nfs/dbraw/zinc/60/18/53/456601853.db2.gz GHRFEJUHMDUION-KRWDZBQOSA-N 0 1 330.384 3.159 20 5 EGBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]1C1CCCC1 ZINC000299101514 456606332 /nfs/dbraw/zinc/60/63/32/456606332.db2.gz IFSSZXBMADLRCF-OAHLLOKOSA-N 0 1 328.372 3.266 20 5 EGBDMN O=[N+]([O-])c1ccc(Cl)c(CN2CC[C@](CO)(c3ccccc3)C2)c1 ZINC000291376762 456624199 /nfs/dbraw/zinc/62/41/99/456624199.db2.gz ZUEHDZQVLZUYOM-SFHVURJKSA-N 0 1 346.814 3.384 20 5 EGBDMN COc1cc(C(=O)Nc2ccc3nc(C)[nH]c3c2)ccc1[N+](=O)[O-] ZINC000338007790 456652901 /nfs/dbraw/zinc/65/29/01/456652901.db2.gz FUNYSGBKCFVULS-UHFFFAOYSA-N 0 1 326.312 3.040 20 5 EGBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C=Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000277135756 456693247 /nfs/dbraw/zinc/69/32/47/456693247.db2.gz UUZNSGDGWORSRO-NYXKHXTOSA-N 0 1 343.387 3.117 20 5 EGBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]2c2ccccc2Cl)c1[N+](=O)[O-] ZINC000299495577 456711414 /nfs/dbraw/zinc/71/14/14/456711414.db2.gz BFDHVUKXYPXOBI-GFCCVEGCSA-N 0 1 334.763 3.257 20 5 EGBDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000353543607 456746045 /nfs/dbraw/zinc/74/60/45/456746045.db2.gz HDNZZRJAQDPORU-UHFFFAOYSA-N 0 1 330.678 3.470 20 5 EGBDMN CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCC[C@@H]1O ZINC000348560556 456767006 /nfs/dbraw/zinc/76/70/06/456767006.db2.gz VKDAUSFFYJXRBV-CABCVRRESA-N 0 1 333.413 3.064 20 5 EGBDMN COCC[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)C ZINC000338352365 456782700 /nfs/dbraw/zinc/78/27/00/456782700.db2.gz KMEPXAHQMWCHRC-CQSZACIVSA-N 0 1 348.403 3.186 20 5 EGBDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc([S@@](C)=O)cc1 ZINC000348669559 456809607 /nfs/dbraw/zinc/80/96/07/456809607.db2.gz GLPNYSKDOBAQPK-HSZRJFAPSA-N 0 1 332.425 3.007 20 5 EGBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000339082459 456932050 /nfs/dbraw/zinc/93/20/50/456932050.db2.gz YFPBNKZDVLLADT-OAHLLOKOSA-N 0 1 338.367 3.097 20 5 EGBDMN CC[C@H](CO)[N@H+](Cc1ccccc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339085387 456933834 /nfs/dbraw/zinc/93/38/34/456933834.db2.gz VGAGIWUROWBETA-MRXNPFEDSA-N 0 1 330.384 3.074 20 5 EGBDMN CC[C@H](CO)[N@@H+](Cc1ccccc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339085387 456933837 /nfs/dbraw/zinc/93/38/37/456933837.db2.gz VGAGIWUROWBETA-MRXNPFEDSA-N 0 1 330.384 3.074 20 5 EGBDMN CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000339229171 457004973 /nfs/dbraw/zinc/00/49/73/457004973.db2.gz CXUBNBNCESJPAV-KRWDZBQOSA-N 0 1 327.384 3.444 20 5 EGBDMN CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000339229172 457005210 /nfs/dbraw/zinc/00/52/10/457005210.db2.gz CXUBNBNCESJPAV-QGZVFWFLSA-N 0 1 327.384 3.444 20 5 EGBDMN Cc1[nH]c(SCc2c([N+](=O)[O-])ncn2C)nc1Cc1ccccc1 ZINC000356550356 457051320 /nfs/dbraw/zinc/05/13/20/457051320.db2.gz QVCMSTAOCXNMMV-UHFFFAOYSA-N 0 1 343.412 3.243 20 5 EGBDMN CC(C)n1cc2cc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)ccc2n1 ZINC000356583233 457067636 /nfs/dbraw/zinc/06/76/36/457067636.db2.gz VGQYWOYYAFWKGH-UHFFFAOYSA-N 0 1 340.339 3.483 20 5 EGBDMN O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356802433 457174438 /nfs/dbraw/zinc/17/44/38/457174438.db2.gz KNIMSVZMSNFWOC-GXSJLCMTSA-N 0 1 346.305 3.399 20 5 EGBDMN COc1ccc(NC(=O)[C@@H](C)N2CC[C@@H](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000339670381 457202007 /nfs/dbraw/zinc/20/20/07/457202007.db2.gz BZHNGDNIJQLJNG-OCCSQVGLSA-N 0 1 347.415 3.052 20 5 EGBDMN CCc1[nH]nc(C(=O)N2[C@H](C)Cc3cc(F)ccc3[C@H]2C)c1[N+](=O)[O-] ZINC000331924549 457273800 /nfs/dbraw/zinc/27/38/00/457273800.db2.gz DAHFUVCHSWUWFQ-NXEZZACHSA-N 0 1 346.362 3.167 20 5 EGBDMN O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000332019399 457290039 /nfs/dbraw/zinc/29/00/39/457290039.db2.gz FUUFSTSYYXHCHG-OAHLLOKOSA-N 0 1 333.388 3.036 20 5 EGBDMN CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](c1ccco1)N1CCCCC1 ZINC000360847626 457383171 /nfs/dbraw/zinc/38/31/71/457383171.db2.gz FZURPMQXEDQIKQ-CQSZACIVSA-N 0 1 347.419 3.352 20 5 EGBDMN C[C@@]1(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCOC1 ZINC000357341081 457459345 /nfs/dbraw/zinc/45/93/45/457459345.db2.gz CBOBSTYTAITHER-MRXNPFEDSA-N 0 1 333.413 3.377 20 5 EGBDMN CC(C)(O)CN(Cc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000425431530 457550943 /nfs/dbraw/zinc/55/09/43/457550943.db2.gz IGEAJENXIKKLAE-UHFFFAOYSA-N 0 1 343.221 3.093 20 5 EGBDMN Cc1ccc([C@@H](C)N[C@@H]2CC(=O)N(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000357802716 457695359 /nfs/dbraw/zinc/69/53/59/457695359.db2.gz WCEKNUVPHREFCL-GDBMZVCRSA-N 0 1 339.395 3.359 20 5 EGBDMN O=C(Nc1ccccc1-c1nnc[nH]1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000364816091 457698831 /nfs/dbraw/zinc/69/88/31/457698831.db2.gz VNOIYLZZURMJDK-UHFFFAOYSA-N 0 1 343.730 3.286 20 5 EGBDMN COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000366647566 457874722 /nfs/dbraw/zinc/87/47/22/457874722.db2.gz SUYCBGMYWKZZKA-ZBFHGGJFSA-N 0 1 346.383 3.285 20 5 EGBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000366647566 457874728 /nfs/dbraw/zinc/87/47/28/457874728.db2.gz SUYCBGMYWKZZKA-ZBFHGGJFSA-N 0 1 346.383 3.285 20 5 EGBDMN CC[C@@H](C)N1CCN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000458520894 458079904 /nfs/dbraw/zinc/07/99/04/458079904.db2.gz UUKYPQAHRZJVAB-CABCVRRESA-N 0 1 348.447 3.090 20 5 EGBDMN O=[N+]([O-])c1ccc2[nH]c(CNCC3=Cc4ccccc4OC3)nc2c1 ZINC000446842678 458236087 /nfs/dbraw/zinc/23/60/87/458236087.db2.gz GZARFKMDMLGPGV-UHFFFAOYSA-N 0 1 336.351 3.037 20 5 EGBDMN C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)Cc2ccccc2O1 ZINC000429139281 458278731 /nfs/dbraw/zinc/27/87/31/458278731.db2.gz XIVFRLGGDJMZJW-CQSZACIVSA-N 0 1 328.368 3.257 20 5 EGBDMN CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459295760 458318532 /nfs/dbraw/zinc/31/85/32/458318532.db2.gz GWECISUIGWYKQW-UHFFFAOYSA-N 0 1 342.399 3.378 20 5 EGBDMN CCC(=O)c1ccc(O)c(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)c1 ZINC000436647245 458351628 /nfs/dbraw/zinc/35/16/28/458351628.db2.gz QEMKOABLRNAVOK-UHFFFAOYSA-N 0 1 328.324 3.454 20 5 EGBDMN O=[N+]([O-])c1cccnc1N1CCN([C@H]2CCCc3ccccc32)CC1 ZINC000459499452 458392553 /nfs/dbraw/zinc/39/25/53/458392553.db2.gz AYJWODXOOKNLBX-KRWDZBQOSA-N 0 1 338.411 3.189 20 5 EGBDMN Cn1cc(CN2CC3(C2)CCCC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000459555407 458409824 /nfs/dbraw/zinc/40/98/24/458409824.db2.gz CFFAYTGIAKYLLP-UHFFFAOYSA-N 0 1 326.400 3.371 20 5 EGBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459750759 458467213 /nfs/dbraw/zinc/46/72/13/458467213.db2.gz JTQOSADEMWBGAC-ZWKOTPCHSA-N 0 1 348.443 3.367 20 5 EGBDMN CC(C)(c1nc(C2(N)CCCCC2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000424343042 458622767 /nfs/dbraw/zinc/62/27/67/458622767.db2.gz IZSLQFVEQWDCNT-UHFFFAOYSA-N 0 1 330.388 3.422 20 5 EGBDMN C[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000472288478 458782053 /nfs/dbraw/zinc/78/20/53/458782053.db2.gz VZUNDVXFDDBPPS-SNVBAGLBSA-N 0 1 325.796 3.307 20 5 EGBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]2c2ccc(F)cc2C)c1[N+](=O)[O-] ZINC000456823257 458791439 /nfs/dbraw/zinc/79/14/39/458791439.db2.gz BNNAOKRRJTWOLT-ZDUSSCGKSA-N 0 1 332.335 3.051 20 5 EGBDMN CCCc1[nH]nc(C(=O)N(C)Cc2ccc(C)c(C)c2)c1[N+](=O)[O-] ZINC000456962736 458826531 /nfs/dbraw/zinc/82/65/31/458826531.db2.gz NUYBEYOHADDXCI-UHFFFAOYSA-N 0 1 330.388 3.159 20 5 EGBDMN Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1cccc(F)c1C ZINC000473761263 458842324 /nfs/dbraw/zinc/84/23/24/458842324.db2.gz BYHSIQXUPHUIGD-UHFFFAOYSA-N 0 1 338.360 3.460 20 5 EGBDMN CCN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@H]1CCNC1=O ZINC000442968853 459068167 /nfs/dbraw/zinc/06/81/67/459068167.db2.gz XFDBDXFHQRPBRI-HNNXBMFYSA-N 0 1 345.424 3.034 20 5 EGBDMN CCC[C@@H]([NH2+]Cc1nnc([C@H]2CCCO2)[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000594511402 459069069 /nfs/dbraw/zinc/06/90/69/459069069.db2.gz MWCLUHYATZSOSF-HUUCEWRRSA-N 0 1 345.403 3.195 20 5 EGBDMN COc1cc(Cc2noc(-c3cc(F)ccc3O)n2)ccc1[N+](=O)[O-] ZINC000558592780 459177210 /nfs/dbraw/zinc/17/72/10/459177210.db2.gz QKNGJCBEJASPHE-UHFFFAOYSA-N 0 1 345.286 3.089 20 5 EGBDMN Cc1ccc(CNCc2cccnc2N2CCCC2)cc1[N+](=O)[O-] ZINC000594957946 459191515 /nfs/dbraw/zinc/19/15/15/459191515.db2.gz VQQOFLPHIHFDCT-UHFFFAOYSA-N 0 1 326.400 3.188 20 5 EGBDMN Cc1cc(N2C[C@@H](C)O[C@@H](C3CC3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000480381592 459195936 /nfs/dbraw/zinc/19/59/36/459195936.db2.gz GZVZBLVROJFKFQ-KZULUSFZSA-N 0 1 327.384 3.455 20 5 EGBDMN CCCc1[nH]nc(C(=O)N(C)C2C3CC4CC(C3)CC2C4)c1[N+](=O)[O-] ZINC000523121704 459280599 /nfs/dbraw/zinc/28/05/99/459280599.db2.gz QAVARRXVUKNJHG-UHFFFAOYSA-N 0 1 346.431 3.167 20 5 EGBDMN COc1ccc2c(c1)CCN(Cc1ccc(F)cc1[N+](=O)[O-])CC2 ZINC000595391150 459289452 /nfs/dbraw/zinc/28/94/52/459289452.db2.gz DXVNQXHOLMJYNN-UHFFFAOYSA-N 0 1 330.359 3.343 20 5 EGBDMN Cc1[nH]nc(C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)c1[N+](=O)[O-] ZINC000523684153 459322575 /nfs/dbraw/zinc/32/25/75/459322575.db2.gz UGIRNKDZYLPIRF-UHFFFAOYSA-N 0 1 330.388 3.196 20 5 EGBDMN CCC1(CC)CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000485912542 459479455 /nfs/dbraw/zinc/47/94/55/459479455.db2.gz IXJSBWCDWVFPBS-UHFFFAOYSA-N 0 1 333.432 3.460 20 5 EGBDMN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CC1(C)C ZINC000595908300 459483338 /nfs/dbraw/zinc/48/33/38/459483338.db2.gz GXGCLRDRIZRZCT-JTQLQIEISA-N 0 1 325.796 3.165 20 5 EGBDMN CC(C)OC[C@@H](CO)N(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000572983935 459606415 /nfs/dbraw/zinc/60/64/15/459606415.db2.gz HQDYKVZNOUXQII-CQSZACIVSA-N 0 1 348.399 3.073 20 5 EGBDMN C[C@@H](Cc1ccsc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000543986696 459716793 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CC(C)c1ccc(CN2CCC3(CC2)C[C@@H](O)CCO3)cc1[N+](=O)[O-] ZINC000897262254 1310251942 /nfs/dbraw/zinc/25/19/42/1310251942.db2.gz XBIMWFIODXDUIE-INIZCTEOSA-N 0 1 348.443 3.224 20 5 EGBDMN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000800145425 1310681809 /nfs/dbraw/zinc/68/18/09/1310681809.db2.gz BVTADPSRFCFCLB-UHFFFAOYSA-N 0 1 325.277 3.264 20 5 EGBDMN O=C(N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839754800 1320972484 /nfs/dbraw/zinc/97/24/84/1320972484.db2.gz WKVROUQJUQXSSL-VWMGYNLJSA-N 0 1 329.183 3.021 20 5 EGBDMN CNc1c(C(=O)Nc2cc(Cl)c(O)cc2F)cccc1[N+](=O)[O-] ZINC000805256386 1317333322 /nfs/dbraw/zinc/33/33/22/1317333322.db2.gz GHDDRONWXPQPNB-UHFFFAOYSA-N 0 1 339.710 3.387 20 5 EGBDMN COc1c(C(=O)Nc2cc(Cl)c(O)cc2F)cccc1[N+](=O)[O-] ZINC000805260407 1317335045 /nfs/dbraw/zinc/33/50/45/1317335045.db2.gz SLFKDKPJQPCLSN-UHFFFAOYSA-N 0 1 340.694 3.354 20 5 EGBDMN CSC[C@@H](CCO)NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811481347 1318181767 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/nfs/dbraw/zinc/37/06/75/1321370675.db2.gz HRENCZKVMZWSRT-CYZMBNFOSA-N 0 1 332.381 3.388 20 5 EGBDMN O=C(OCC1CCN(c2ccccc2F)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000842454991 1321389268 /nfs/dbraw/zinc/38/92/68/1321389268.db2.gz IRRKJGYWXKZOAK-UHFFFAOYSA-N 0 1 347.346 3.135 20 5 EGBDMN CC(C)[C@@H](N)c1noc([C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000843149165 1321478848 /nfs/dbraw/zinc/47/88/48/1321478848.db2.gz AXLSDSAXZHZLDC-PRHODGIISA-N 0 1 340.767 3.427 20 5 EGBDMN Cc1cc([N+](=O)[O-])c(C(=O)N2[C@H](C)CN(C)[C@H](C)[C@H]2C)cc1Cl ZINC000844645797 1321630328 /nfs/dbraw/zinc/63/03/28/1321630328.db2.gz ICYHKMBZMGJKHP-IJLUTSLNSA-N 0 1 339.823 3.110 20 5 EGBDMN CC(C)(C)N1CC[C@H]1COC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000845736500 1321738986 /nfs/dbraw/zinc/73/89/86/1321738986.db2.gz VAIVOMBJFGHBOS-ZDUSSCGKSA-N 0 1 332.356 3.371 20 5 EGBDMN COc1cc(CN[C@H]2C=CCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000850358249 1322232980 /nfs/dbraw/zinc/23/29/80/1322232980.db2.gz MDTPKJMXQVIVFE-NSHDSACASA-N 0 1 346.305 3.353 20 5 EGBDMN C[C@@H](CN(C)C(=O)OC(C)(C)C)NCc1ccc([N+](=O)[O-])cc1F ZINC000850416961 1322242569 /nfs/dbraw/zinc/24/25/69/1322242569.db2.gz HMBAZTMBHFMITB-NSHDSACASA-N 0 1 341.383 3.079 20 5 EGBDMN CCOc1ccccc1NC(=O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932181285 1329791779 /nfs/dbraw/zinc/79/17/79/1329791779.db2.gz MJSIQNQBSRIECH-CYBMUJFWSA-N 0 1 343.383 3.283 20 5 EGBDMN O=[N+]([O-])c1ncccc1CN1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000932189382 1329792584 /nfs/dbraw/zinc/79/25/84/1329792584.db2.gz VQIPIONTRNAVJT-CYBMUJFWSA-N 0 1 344.440 3.315 20 5 EGBDMN CC[C@@H](CNC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000867949139 1330231954 /nfs/dbraw/zinc/23/19/54/1330231954.db2.gz OVRDPHNJFKRMDG-IFXJQAMLSA-N 0 1 341.411 3.079 20 5 EGBDMN C[C@@](N)(C(=O)N[C@@H]1CCCc2sccc21)c1cccc([N+](=O)[O-])c1 ZINC000867977758 1330235463 /nfs/dbraw/zinc/23/54/63/1330235463.db2.gz PHZVAWVUXQLDGN-PBHICJAKSA-N 0 1 345.424 3.024 20 5 EGBDMN O=[N+]([O-])c1nc[nH]c1-c1nc(-c2cc(F)ccc2C(F)(F)F)no1 ZINC001212893056 1372791194 /nfs/dbraw/zinc/79/11/94/1372791194.db2.gz KLBAMRLCUKBQIF-UHFFFAOYSA-N 0 1 343.196 3.193 20 5 EGBDMN CCOc1ccc(-c2noc(-c3ccc(O)cc3[N+](=O)[O-])n2)cc1 ZINC001216891774 1373359108 /nfs/dbraw/zinc/35/91/08/1373359108.db2.gz WLTWSFYQGIUNFK-UHFFFAOYSA-N 0 1 327.296 3.416 20 5 EGBDMN COc1ccc(-c2noc(-c3ccc(O)cc3[N+](=O)[O-])n2)cc1F ZINC001216891433 1373359387 /nfs/dbraw/zinc/35/93/87/1373359387.db2.gz SCYKUYWLIXDUEP-UHFFFAOYSA-N 0 1 331.259 3.165 20 5 EGBDMN O=[N+]([O-])c1cc(O)cc(-c2nc(-c3cc(F)cc(F)c3F)no2)c1 ZINC001216924906 1373365144 /nfs/dbraw/zinc/36/51/44/1373365144.db2.gz ZBNOURCQTYKFKU-UHFFFAOYSA-N 0 1 337.213 3.435 20 5 EGBDMN COc1cc(OC)cc(-c2noc(-c3cc(O)cc([N+](=O)[O-])c3)n2)c1 ZINC001216924876 1373365511 /nfs/dbraw/zinc/36/55/11/1373365511.db2.gz WTLQGBYESSZYSJ-UHFFFAOYSA-N 0 1 343.295 3.035 20 5 EGBDMN COc1cccc(-c2noc(-c3cc(O)cc([N+](=O)[O-])c3)n2)c1OC ZINC001216924627 1373365521 /nfs/dbraw/zinc/36/55/21/1373365521.db2.gz SVESIDGQDAZOLD-UHFFFAOYSA-N 0 1 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OPJKYIDHMRKCIL-OAHLLOKOSA-N 0 1 339.391 3.046 20 5 EGBDMN O=C1CC[C@H](Oc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])c2ccccc21 ZINC001228604563 1375613622 /nfs/dbraw/zinc/61/36/22/1375613622.db2.gz UPSZVSUNECQLIJ-ZDUSSCGKSA-N 0 1 341.323 3.064 20 5 EGBDMN CC1(C)CC(=O)CC[C@H]1Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-] ZINC001228860985 1375696574 /nfs/dbraw/zinc/69/65/74/1375696574.db2.gz ZEKWTOURBYFBGY-SNVBAGLBSA-N 0 1 348.277 3.241 20 5 EGBDMN Cc1ccc(C)c2c1CCC[C@@H]2Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229378571 1375823164 /nfs/dbraw/zinc/82/31/64/1375823164.db2.gz HJCACOYARGVIJX-ZDUSSCGKSA-N 0 1 329.356 3.472 20 5 EGBDMN C[C@@H](c1ccccn1)N1CC[C@@H](Oc2ccc(Cl)nc2[N+](=O)[O-])C1 ZINC001230879140 1376173464 /nfs/dbraw/zinc/17/34/64/1376173464.db2.gz MZKBVCXPTGBJCH-NWDGAFQWSA-N 0 1 348.790 3.253 20 5 EGBDMN CN[C@@H](CC1CCCCC1)c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001249203858 1377072893 /nfs/dbraw/zinc/07/28/93/1377072893.db2.gz DCKGTMZBDMUGBM-LBPRGKRZSA-N 0 1 349.366 3.410 20 5 EGBDMN 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O=C(NC[C@H]1CCCN1Cc1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC000114641862 454965129 /nfs/dbraw/zinc/96/51/29/454965129.db2.gz NSANSVWYULSUHE-CQSZACIVSA-N 0 1 345.424 3.051 20 5 EGBDMN CCc1[nH]nc(C(=O)N2CCC(C)(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000178986538 454995873 /nfs/dbraw/zinc/99/58/73/454995873.db2.gz NUYRNEAKTNNOAZ-UHFFFAOYSA-N 0 1 342.399 3.074 20 5 EGBDMN CNC(=O)c1cccc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000155860691 455053601 /nfs/dbraw/zinc/05/36/01/455053601.db2.gz PCLDSIOJOWPUQG-ZDUSSCGKSA-N 0 1 327.384 3.114 20 5 EGBDMN COc1ccc([C@@H](C)NCc2ccc(OC)c([N+](=O)[O-])c2)cc1OC ZINC000128557027 455067522 /nfs/dbraw/zinc/06/75/22/455067522.db2.gz HZLWSERFBFBZBJ-GFCCVEGCSA-N 0 1 346.383 3.471 20 5 EGBDMN C[C@@H](NCC(=O)N(C)CC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000180406152 455164916 /nfs/dbraw/zinc/16/49/16/455164916.db2.gz WDGQPYDAUVDNHY-CQSZACIVSA-N 0 1 333.432 3.284 20 5 EGBDMN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCC1CCCCC1 ZINC000180452378 455172969 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CC(C)C[C@@H]1OCCC[C@H]1NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284089534 455635096 /nfs/dbraw/zinc/63/50/96/455635096.db2.gz LUTLTQLCVAXAHV-ZBFHGGJFSA-N 0 1 337.376 3.186 20 5 EGBDMN O=[N+]([O-])c1cccc(CN2CCC(CO)(Cc3ccccc3)CC2)c1 ZINC000277719296 455644238 /nfs/dbraw/zinc/64/42/38/455644238.db2.gz IZWUXLXGUGOLAJ-UHFFFAOYSA-N 0 1 340.423 3.412 20 5 EGBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2C)n[nH]1 ZINC000277880617 455695595 /nfs/dbraw/zinc/69/55/95/455695595.db2.gz PDJNLUMDKKTSRY-MWLCHTKSSA-N 0 1 331.376 3.026 20 5 EGBDMN CCc1[nH]nc(C(=O)N([C@@H](C)c2ccccc2)C2CC2)c1[N+](=O)[O-] ZINC000278029993 455738910 /nfs/dbraw/zinc/73/89/10/455738910.db2.gz RLWXWNXUVBQFMV-NSHDSACASA-N 0 1 328.372 3.246 20 5 EGBDMN CCOC[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000292729451 455742426 /nfs/dbraw/zinc/74/24/26/455742426.db2.gz GMKDWAXGCQOWDA-LLVKDONJSA-N 0 1 332.322 3.472 20 5 EGBDMN O=[N+]([O-])c1ccc2oc(CN3CCC4(CCOCC4)CC3)nc2c1 ZINC000284852756 455753339 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341.411 3.456 20 5 EGBDMN O=[N+]([O-])c1cccc(CN[C@@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000535368553 314043029 /nfs/dbraw/zinc/04/30/29/314043029.db2.gz SSZLCCIXNMIZAS-HNNXBMFYSA-N 0 1 340.301 3.437 20 5 EGBDMN Cc1ccc(NS(=O)(=O)c2cc(F)cc(Cl)c2)cc1[N+](=O)[O-] ZINC000536460820 314115003 /nfs/dbraw/zinc/11/50/03/314115003.db2.gz WMTJPTFNVWVSIF-UHFFFAOYSA-N 0 1 344.751 3.497 20 5 EGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000550079879 315115561 /nfs/dbraw/zinc/11/55/61/315115561.db2.gz SQLZGGDBLPUNJE-GDBMZVCRSA-N 0 1 331.416 3.352 20 5 EGBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000565510912 316332948 /nfs/dbraw/zinc/33/29/48/316332948.db2.gz KFTIOKSLCNCBRC-ZIAGYGMSSA-N 0 1 348.447 3.399 20 5 EGBDMN COc1ccc(CNC/C(C)=C/c2cccc([N+](=O)[O-])c2)c(OC)n1 ZINC000573291658 317463611 /nfs/dbraw/zinc/46/36/11/317463611.db2.gz YNGRWOWYDYPIKB-UKTHLTGXSA-N 0 1 343.383 3.200 20 5 EGBDMN COc1ccc(CN2CC[C@H](Oc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000579953216 325182193 /nfs/dbraw/zinc/18/21/93/325182193.db2.gz KMFBHSILLGBRCF-INIZCTEOSA-N 0 1 328.368 3.257 20 5 EGBDMN Cn1cc(CNCc2ccccc2F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237934385 455235528 /nfs/dbraw/zinc/23/55/28/455235528.db2.gz NUNJMQGEUKHKBL-UHFFFAOYSA-N 0 1 340.358 3.424 20 5 EGBDMN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000026298837 453795997 /nfs/dbraw/zinc/79/59/97/453795997.db2.gz MFJPCZVGEUCKKB-AWEZNQCLSA-N 0 1 337.383 3.369 20 5 EGBDMN Cc1c(NC(=O)[C@@H](C)Sc2nc(C3CC3)n[nH]2)cccc1[N+](=O)[O-] ZINC000028758895 453824522 /nfs/dbraw/zinc/82/45/22/453824522.db2.gz NZOMYUWHBBWKPJ-SECBINFHSA-N 0 1 347.400 3.018 20 5 EGBDMN Cc1c(NC(=O)[C@@H](C)Sc2n[nH]c(C3CC3)n2)cccc1[N+](=O)[O-] ZINC000028758895 453824523 /nfs/dbraw/zinc/82/45/23/453824523.db2.gz NZOMYUWHBBWKPJ-SECBINFHSA-N 0 1 347.400 3.018 20 5 EGBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCc1ccccc1 ZINC000053047874 453854135 /nfs/dbraw/zinc/85/41/35/453854135.db2.gz XHQJEIIUNYVKBZ-CQSZACIVSA-N 0 1 327.384 3.096 20 5 EGBDMN COc1ccc(NC(=O)CCN(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000055901922 454023925 /nfs/dbraw/zinc/02/39/25/454023925.db2.gz OAXUQJBPHOJLGX-UHFFFAOYSA-N 0 1 343.383 3.064 20 5 EGBDMN Cc1cccc([C@H]2CCCN2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000055910392 454024803 /nfs/dbraw/zinc/02/48/03/454024803.db2.gz IFCIQLGMKTZLFD-QGZVFWFLSA-N 0 1 339.395 3.339 20 5 EGBDMN Cc1ccc(C(=O)N2CCN(CCC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000056042766 454034590 /nfs/dbraw/zinc/03/45/90/454034590.db2.gz IRGYTDZONSIMIX-UHFFFAOYSA-N 0 1 333.432 3.097 20 5 EGBDMN COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000056196931 454043376 /nfs/dbraw/zinc/04/33/76/454043376.db2.gz PUORPZZSVQIOED-QWHCGFSZSA-N 0 1 343.383 3.281 20 5 EGBDMN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cn1 ZINC000056196844 454043388 /nfs/dbraw/zinc/04/33/88/454043388.db2.gz NDCXYKJECVNTHJ-GHMZBOCLSA-N 0 1 348.790 3.321 20 5 EGBDMN Cc1cccc(CN2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)c1 ZINC000069448019 454107160 /nfs/dbraw/zinc/10/71/60/454107160.db2.gz ONRXZKWCWDPECG-UHFFFAOYSA-N 0 1 329.375 3.365 20 5 EGBDMN CN(Cc1ccc(F)c(F)c1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000045341589 454153245 /nfs/dbraw/zinc/15/32/45/454153245.db2.gz GRCAOKZFNSOASQ-UHFFFAOYSA-N 0 1 346.293 3.022 20 5 EGBDMN CCC[C@@H](N[C@@H](C)C(=O)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000089592559 454164966 /nfs/dbraw/zinc/16/49/66/454164966.db2.gz HPVWSYZMEJQVAK-WMLDXEAASA-N 0 1 333.432 3.427 20 5 EGBDMN C[C@H]1CCN(c2ncccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000266192831 455425357 /nfs/dbraw/zinc/42/53/57/455425357.db2.gz GVMDHMYVLSHKRE-HNNXBMFYSA-N 0 1 326.400 3.091 20 5 EGBDMN Cc1cccc(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)c1[N+](=O)[O-] ZINC000130764509 454216797 /nfs/dbraw/zinc/21/67/97/454216797.db2.gz KHJSPNUVNSTJAZ-INIZCTEOSA-N 0 1 345.374 3.075 20 5 EGBDMN C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cccs1 ZINC000131073028 454234091 /nfs/dbraw/zinc/23/40/91/454234091.db2.gz CLBRNRQCAOQCKY-VIFPVBQESA-N 0 1 343.368 3.184 20 5 EGBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCCc1cccs1 ZINC000071902523 454248901 /nfs/dbraw/zinc/24/89/01/454248901.db2.gz NJNFFEDDUDDCPF-QWHCGFSZSA-N 0 1 347.440 3.054 20 5 EGBDMN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCCc1cccs1 ZINC000071902521 454249179 /nfs/dbraw/zinc/24/91/79/454249179.db2.gz NJNFFEDDUDDCPF-STQMWFEESA-N 0 1 347.440 3.054 20 5 EGBDMN Cc1c(CN[C@@H](C)c2ccc3c(c2)NC(=O)CO3)cccc1[N+](=O)[O-] ZINC000095984468 454250809 /nfs/dbraw/zinc/25/08/09/454250809.db2.gz IMDOWEAFPLYADE-LBPRGKRZSA-N 0 1 341.367 3.085 20 5 EGBDMN COc1ccc(NC(=O)CN[C@H](C)c2ccccc2C)c([N+](=O)[O-])c1 ZINC000120510207 454313097 /nfs/dbraw/zinc/31/30/97/454313097.db2.gz WJODBJCNFXQZCN-CYBMUJFWSA-N 0 1 343.383 3.201 20 5 EGBDMN COc1ccc(-c2[nH]ncc2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000073341230 454424802 /nfs/dbraw/zinc/42/48/02/454424802.db2.gz UAKQLRJAZPBUIT-UHFFFAOYSA-N 0 1 338.323 3.246 20 5 EGBDMN C[C@H]1CCCN(C(=O)C2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000048045866 454435949 /nfs/dbraw/zinc/43/59/49/454435949.db2.gz IRDQSONFOCBSLB-HNNXBMFYSA-N 0 1 345.443 3.065 20 5 EGBDMN CC(C)(NC(=O)Cc1[nH]nc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000079975900 454508757 /nfs/dbraw/zinc/50/87/57/454508757.db2.gz CVHVVLYOACPWHI-UHFFFAOYSA-N 0 1 338.367 3.065 20 5 EGBDMN COCc1ccc(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000092047882 454509474 /nfs/dbraw/zinc/50/94/74/454509474.db2.gz XWTXTNADHWORHJ-UHFFFAOYSA-N 0 1 341.411 3.063 20 5 EGBDMN CS[C@H]1CCCCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000134551642 454559460 /nfs/dbraw/zinc/55/94/60/454559460.db2.gz XNXPFMFQOSGPBY-DOMZBBRYSA-N 0 1 337.445 3.139 20 5 EGBDMN CS[C@@H]1CCCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000134556854 454559829 /nfs/dbraw/zinc/55/98/29/454559829.db2.gz QOHWXBSETFKVFW-CQSZACIVSA-N 0 1 348.428 3.362 20 5 EGBDMN Cc1ccc(CN2CCC(OC[C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000092661660 454605102 /nfs/dbraw/zinc/60/51/02/454605102.db2.gz HAPMXNDEPTXISL-QGZVFWFLSA-N 0 1 334.416 3.063 20 5 EGBDMN C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)CN1Cc1ccccc1 ZINC000134937983 454613216 /nfs/dbraw/zinc/61/32/16/454613216.db2.gz AJGZQHCWBQBRIR-JSGCOSHPSA-N 0 1 345.424 3.049 20 5 EGBDMN COCCN(CCOc1ccccc1[N+](=O)[O-])Cc1cccs1 ZINC000051283273 454616676 /nfs/dbraw/zinc/61/66/76/454616676.db2.gz ZFRCNRYJCXSKDF-UHFFFAOYSA-N 0 1 336.413 3.184 20 5 EGBDMN CC[C@]1(C)CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000135612291 454694272 /nfs/dbraw/zinc/69/42/72/454694272.db2.gz KHNMBWQAWBSTMR-GOSISDBHSA-N 0 1 345.399 3.293 20 5 EGBDMN O=[N+]([O-])c1ccccc1CN1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000177583221 454880129 /nfs/dbraw/zinc/88/01/29/454880129.db2.gz QDTBBKGMFSFUEH-KRWDZBQOSA-N 0 1 334.416 3.145 20 5 EGBDMN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1F ZINC000114748837 454976313 /nfs/dbraw/zinc/97/63/13/454976313.db2.gz OYRKXLPEASIFFQ-STQMWFEESA-N 0 1 345.374 3.089 20 5 EGBDMN C[C@](O)(CNCc1csc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000156701312 455145630 /nfs/dbraw/zinc/14/56/30/455145630.db2.gz YMAMDFLBIQIWKK-AWEZNQCLSA-N 0 1 326.805 3.307 20 5 EGBDMN CCc1[nH]nc(C(=O)N2C[C@@H](c3ccccc3C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000172410703 455151778 /nfs/dbraw/zinc/15/17/78/455151778.db2.gz LTCYAMKNEALABH-STQMWFEESA-N 0 1 342.399 3.207 20 5 EGBDMN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)c1 ZINC000172981143 455217082 /nfs/dbraw/zinc/21/70/82/455217082.db2.gz KSEXTMFFLCSJQC-KRWDZBQOSA-N 0 1 345.374 3.075 20 5 EGBDMN CC(C)NC(=O)CN[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000160903831 455511845 /nfs/dbraw/zinc/51/18/45/455511845.db2.gz AIBSJUOTHGNGNM-GFCCVEGCSA-N 0 1 347.440 3.499 20 5 EGBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2Cc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000185650976 455589856 /nfs/dbraw/zinc/58/98/56/455589856.db2.gz CYVGWSRWOOJBKB-CQSZACIVSA-N 0 1 342.399 3.036 20 5 EGBDMN CC[C@@H]1Cc2ccccc2CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000185802986 455625535 /nfs/dbraw/zinc/62/55/35/455625535.db2.gz CPOBHXUZBANOHO-QGZVFWFLSA-N 0 1 339.395 3.031 20 5 EGBDMN Cc1c([C@@H](C)NCC(=O)N(C)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000268933763 455736010 /nfs/dbraw/zinc/73/60/10/455736010.db2.gz MRFGCQDWWXPMSR-CQSZACIVSA-N 0 1 333.432 3.345 20 5 EGBDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000285240849 455810886 /nfs/dbraw/zinc/81/08/86/455810886.db2.gz GNIVBIBOCADWGC-UHFFFAOYSA-N 0 1 333.319 3.317 20 5 EGBDMN Cc1cnc(C2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)s1 ZINC000278350423 455824916 /nfs/dbraw/zinc/82/49/16/455824916.db2.gz ATNYDTKPUZUOJG-UHFFFAOYSA-N 0 1 347.396 3.085 20 5 EGBDMN CC(C)c1nc(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n[nH]1 ZINC000296484185 455952040 /nfs/dbraw/zinc/95/20/40/455952040.db2.gz OKFSQXZTLYGUJJ-AWEZNQCLSA-N 0 1 329.404 3.349 20 5 EGBDMN C[C@@H](N[C@H](C)c1ccc2c(c1)OCC(=O)N2)c1cccc([N+](=O)[O-])c1 ZINC000285998604 455957395 /nfs/dbraw/zinc/95/73/95/455957395.db2.gz IMUVJXLAGWBTNN-VXGBXAGGSA-N 0 1 341.367 3.338 20 5 EGBDMN CCCc1[nH]nc(C(=O)N(CC)CCc2cccs2)c1[N+](=O)[O-] ZINC000270713764 456021759 /nfs/dbraw/zinc/02/17/59/456021759.db2.gz DBOAEEMZQDTTOJ-UHFFFAOYSA-N 0 1 336.417 3.037 20 5 EGBDMN C[C@H](NCC(=O)N(C)Cc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000296842727 456050310 /nfs/dbraw/zinc/05/03/10/456050310.db2.gz XLFRQGGZJRQNTD-ZDUSSCGKSA-N 0 1 345.374 3.043 20 5 EGBDMN COc1cc(N2CCN(Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000301540321 456142380 /nfs/dbraw/zinc/14/23/80/456142380.db2.gz NCMUOZQDTWDUHD-OAHLLOKOSA-N 0 1 341.411 3.314 20 5 EGBDMN CC(C)(C)NC(=O)CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000236654256 456164541 /nfs/dbraw/zinc/16/45/41/456164541.db2.gz GANMUCGFAZGZTC-UHFFFAOYSA-N 0 1 347.440 3.328 20 5 EGBDMN C[C@@]1(NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCO[C@H]1C1CC1 ZINC000273110586 456181282 /nfs/dbraw/zinc/18/12/82/456181282.db2.gz XLBALHREKRGHLD-FUHWJXTLSA-N 0 1 343.383 3.297 20 5 EGBDMN Cc1ccc(C[C@@H](CO)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000188974170 456187157 /nfs/dbraw/zinc/18/71/57/456187157.db2.gz JVWHONKYAUPODF-HNNXBMFYSA-N 0 1 334.803 3.250 20 5 EGBDMN CCOc1ccc([C@H]2CCCN2C(=O)c2n[nH]c(C)c2[N+](=O)[O-])cc1 ZINC000352829574 456344997 /nfs/dbraw/zinc/34/49/97/456344997.db2.gz PRHPZRURSTVYCZ-CQSZACIVSA-N 0 1 344.371 3.002 20 5 EGBDMN CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000290606309 456380888 /nfs/dbraw/zinc/38/08/88/456380888.db2.gz JVOQMGLEECAMFE-PHIMTYICSA-N 0 1 346.305 3.494 20 5 EGBDMN COC(=O)c1cnc(Nc2cnn(CCC(C)C)c2C)c([N+](=O)[O-])c1 ZINC000302789733 456401541 /nfs/dbraw/zinc/40/15/41/456401541.db2.gz YANLRHWPAIXTRA-UHFFFAOYSA-N 0 1 347.375 3.071 20 5 EGBDMN CC1(C)[C@@H](C(F)(F)F)CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000276158313 456401750 /nfs/dbraw/zinc/40/17/50/456401750.db2.gz HIIHKYVJSGWNOG-OLZOCXBDSA-N 0 1 332.322 3.291 20 5 EGBDMN O=C(Nc1ncc(C(F)(F)F)[nH]1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000337630804 456439567 /nfs/dbraw/zinc/43/95/67/456439567.db2.gz ODLVHYKEICKRMF-UHFFFAOYSA-N 0 1 339.233 3.070 20 5 EGBDMN COC(=O)c1cc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n(C)c1C ZINC000291165907 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Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001116318339 1370884616 /nfs/dbraw/zinc/88/46/16/1370884616.db2.gz DDZFENCWFMYHLH-GJZGRUSLSA-N 0 1 331.416 3.354 20 5 EGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H]2CCCC[C@H]2C1 ZINC001116318339 1370884620 /nfs/dbraw/zinc/88/46/20/1370884620.db2.gz DDZFENCWFMYHLH-GJZGRUSLSA-N 0 1 331.416 3.354 20 5 EGBDMN C[C@H](CC(=O)OC(C)(C)C)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC001116474698 1370920639 /nfs/dbraw/zinc/92/06/39/1370920639.db2.gz HNECKLBTXLJPRL-SNVBAGLBSA-N 0 1 328.796 3.458 20 5 EGBDMN O=[N+]([O-])c1cccc(-c2cc(-c3nc(-c4ccncc4)no3)[nH]n2)c1 ZINC001212995085 1372815198 /nfs/dbraw/zinc/81/51/98/1372815198.db2.gz HWAOKCNQFADZSW-UHFFFAOYSA-N 0 1 334.295 3.097 20 5 EGBDMN Cc1cnccc1-c1noc(-c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)n1 ZINC001213008657 1372818459 /nfs/dbraw/zinc/81/84/59/1372818459.db2.gz WKNUFNPZGJLDIK-UHFFFAOYSA-N 0 1 348.322 3.405 20 5 EGBDMN COc1cc([N+](=O)[O-])c(-c2nc(-c3ccccc3F)no2)cc1O ZINC001216343776 1373303135 /nfs/dbraw/zinc/30/31/35/1373303135.db2.gz SYERQAUBLXPOCP-UHFFFAOYSA-N 0 1 331.259 3.165 20 5 EGBDMN O=[N+]([O-])c1cc(O)ccc1-c1nc(-c2ccc(-n3cccn3)cc2)no1 ZINC001216894605 1373359670 /nfs/dbraw/zinc/35/96/70/1373359670.db2.gz TXHASSMFSOKXKF-UHFFFAOYSA-N 0 1 349.306 3.203 20 5 EGBDMN COc1ccc(F)cc1-c1noc(-c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC001216924607 1373365391 /nfs/dbraw/zinc/36/53/91/1373365391.db2.gz SDTIRHAFMJRYPV-UHFFFAOYSA-N 0 1 331.259 3.165 20 5 EGBDMN O=c1c2ccc([O-])cc2oc2cc(O[C@H]3C[NH2+]CCC3(F)F)ccc12 ZINC001218454560 1373617162 /nfs/dbraw/zinc/61/71/62/1373617162.db2.gz RCDCDUSAHZBOPL-INIZCTEOSA-N 0 1 347.317 3.028 20 5 EGBDMN O=[N+]([O-])c1ccccc1CO[C@H]1COCCN(Cc2ccccc2)C1 ZINC001222761630 1373872457 /nfs/dbraw/zinc/87/24/57/1373872457.db2.gz ZIUNGSYDRXEQQJ-GOSISDBHSA-N 0 1 342.395 3.012 20 5 EGBDMN O=[N+]([O-])c1c([O-])cccc1O[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC001225620368 1375133329 /nfs/dbraw/zinc/13/33/29/1375133329.db2.gz OYYFJVIFOXIDPW-AWEZNQCLSA-N 0 1 346.358 3.483 20 5 EGBDMN O=[N+]([O-])c1c([O-])cccc1O[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001225620368 1375133333 /nfs/dbraw/zinc/13/33/33/1375133333.db2.gz OYYFJVIFOXIDPW-AWEZNQCLSA-N 0 1 346.358 3.483 20 5 EGBDMN O=c1ncc(F)c(O[C@@H](c2ccccc2)c2ccccc2[N+](=O)[O-])[nH]1 ZINC001225884738 1375169024 /nfs/dbraw/zinc/16/90/24/1375169024.db2.gz IQFDRGUDSINNPZ-HNNXBMFYSA-N 0 1 341.298 3.398 20 5 EGBDMN CC(C)(C)/C=C/C(=O)NC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001226633241 1375296968 /nfs/dbraw/zinc/29/69/68/1375296968.db2.gz OZEHMFZRHUKBOP-JXMROGBWSA-N 0 1 345.443 3.278 20 5 EGBDMN Cc1cc([N+](=O)[O-])cnc1O[C@@H]1CCC[N@H+]([C@H](C)c2ccccn2)C1 ZINC001226763768 1375327907 /nfs/dbraw/zinc/32/79/07/1375327907.db2.gz BOSQYCOGBHYPSL-GDBMZVCRSA-N 0 1 342.399 3.298 20 5 EGBDMN Cc1cc([N+](=O)[O-])cnc1O[C@@H]1CCCN([C@H](C)c2ccccn2)C1 ZINC001226763768 1375327914 /nfs/dbraw/zinc/32/79/14/1375327914.db2.gz BOSQYCOGBHYPSL-GDBMZVCRSA-N 0 1 342.399 3.298 20 5 EGBDMN O=[N+]([O-])c1ccc(Cl)c(O[C@H]2CC[C@@H](N3CCOCC3)CC2)c1 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0 1 348.628 3.033 20 5 EGBDMN O=[N+]([O-])C[C@H]1CC[C@H](N2CCc3c(Br)cccc3C2)C1 ZINC001169039006 1384098597 /nfs/dbraw/zinc/09/85/97/1384098597.db2.gz MIGKTJCULXVNMK-AAEUAGOBSA-N 0 1 339.233 3.253 20 5 EGBDMN O=[N+]([O-])c1ccc2c(c1)CC[C@H](NCc1ncc(Cl)cn1)CC2 ZINC001172901227 1384874277 /nfs/dbraw/zinc/87/42/77/1384874277.db2.gz LLVVYPLIUWBWAB-CQSZACIVSA-N 0 1 332.791 3.075 20 5 EGBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC[C@H](CF)C2)c1F ZINC001173190731 1384933180 /nfs/dbraw/zinc/93/31/80/1384933180.db2.gz WGYISDJIVAQKQN-VXGBXAGGSA-N 0 1 328.359 3.355 20 5 EGBDMN Cc1cccc2c1[C@@H](N[C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)N2 ZINC001173212583 1384937253 /nfs/dbraw/zinc/93/72/53/1384937253.db2.gz BDMNCTKEQWRTPR-YVEFUNNKSA-N 0 1 325.368 3.117 20 5 EGBDMN Cc1ccc2c(n1)N(C)CCN([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173225336 1384939502 /nfs/dbraw/zinc/93/95/02/1384939502.db2.gz NKTCXWFYKJPWFF-OAHLLOKOSA-N 0 1 340.427 3.181 20 5 EGBDMN Cc1ccc(C)c(OC[C@@H](O)CNCc2ccccc2[N+](=O)[O-])c1C ZINC001335889505 1388960348 /nfs/dbraw/zinc/96/03/48/1388960348.db2.gz DNKVIIYDNDGKML-KRWDZBQOSA-N 0 1 344.411 3.050 20 5 EGBDMN CN1CCN(c2ccc(F)cc2Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001174478604 1385112743 /nfs/dbraw/zinc/11/27/43/1385112743.db2.gz QTOPMKCYYDCKAP-UHFFFAOYSA-N 0 1 330.363 3.229 20 5 EGBDMN CN1CCN(c2ccc(F)cc2Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC001175737275 1385389991 /nfs/dbraw/zinc/38/99/91/1385389991.db2.gz XZSOLSQBVJAFLP-UHFFFAOYSA-N 0 1 348.353 3.368 20 5 EGBDMN Cc1nc2ccc(S(=O)(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cc2o1 ZINC001321763523 1386979262 /nfs/dbraw/zinc/97/92/62/1386979262.db2.gz GDHBDWFAMBZCOJ-UHFFFAOYSA-N 0 1 347.352 3.154 20 5 EGBDMN C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ncc(C(=O)[O-])s1 ZINC001593234290 994399760 /nfs/dbraw/zinc/39/97/60/994399760.db2.gz XUFOAXVUYDVYJV-LDYMZIIASA-N 0 1 333.369 3.088 20 5 EGBDMN CC[C@@](C)(NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000154599595 529506511 /nfs/dbraw/zinc/50/65/11/529506511.db2.gz ZGKRCSZWEINCLN-GDBMZVCRSA-N 0 1 335.429 3.308 20 5 EGBDMN CC[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000184420599 529595334 /nfs/dbraw/zinc/59/53/34/529595334.db2.gz VYFMACVGORJZNT-LBPRGKRZSA-N 0 1 348.428 3.429 20 5 EGBDMN CN(C)[C@H](CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000098006441 219068297 /nfs/dbraw/zinc/06/82/97/219068297.db2.gz WPUDLXIGMKQMFF-MWWKQMNYSA-N 0 1 345.424 3.089 20 5 EGBDMN COc1cc(CN2CCCC[C@H](SC)C2)c([N+](=O)[O-])cc1F ZINC000184267361 235350665 /nfs/dbraw/zinc/35/06/65/235350665.db2.gz TWUNPDKWHXUIIB-LBPRGKRZSA-N 0 1 328.409 3.460 20 5 EGBDMN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCN(C2CCCC2)CC1 ZINC000191404019 239094660 /nfs/dbraw/zinc/09/46/60/239094660.db2.gz PPCRSXSNUGZAKI-UHFFFAOYSA-N 0 1 346.431 3.304 20 5 EGBDMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000248568279 304148159 /nfs/dbraw/zinc/14/81/59/304148159.db2.gz QRVKJONBADCSRQ-ONERCXAPSA-N 0 1 338.791 3.466 20 5 EGBDMN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3C[C@H]4CC[C@@H]3O4)cs2)c1 ZINC000152752646 224008173 /nfs/dbraw/zinc/00/81/73/224008173.db2.gz PXNJJKAMGPJNGB-KFWWJZLASA-N 0 1 331.397 3.128 20 5 EGBDMN Cc1ccc([C@@H](C)NCC(=O)N(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000119092945 221241943 /nfs/dbraw/zinc/24/19/43/221241943.db2.gz JOKIERMTHYHEGC-OAHLLOKOSA-N 0 1 341.411 3.212 20 5 EGBDMN O=C([O-])[C@H]1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000263449209 141049928 /nfs/dbraw/zinc/04/99/28/141049928.db2.gz YZUXMQDPXRMISE-ZDUSSCGKSA-N 0 1 330.340 3.151 20 5 EGBDMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000263515577 141055291 /nfs/dbraw/zinc/05/52/91/141055291.db2.gz OPFIFMAZIZPELW-QGZVFWFLSA-N 0 1 330.340 3.151 20 5 EGBDMN CCS[C@@H]1CCCC[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000175236732 144060502 /nfs/dbraw/zinc/06/05/02/144060502.db2.gz DCUXBRCPPOMBQG-ZIAGYGMSSA-N 0 1 348.428 3.265 20 5 EGBDMN CCOC(=O)C[C@@](C)(NCc1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000186693960 144140990 /nfs/dbraw/zinc/14/09/90/144140990.db2.gz JIEFFRQVGPSBPH-MRXNPFEDSA-N 0 1 326.368 3.191 20 5 EGBDMN Cc1ccc2c(c1)CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000337432348 154349914 /nfs/dbraw/zinc/34/99/14/154349914.db2.gz VQNRXUPHPZAVQF-UHFFFAOYSA-N 0 1 325.368 3.248 20 5 EGBDMN O=C(Nc1nnc(C(F)F)s1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000110248689 162121462 /nfs/dbraw/zinc/12/14/62/162121462.db2.gz QWOZSHIPKVCIDV-UHFFFAOYSA-N 0 1 334.691 3.290 20 5 EGBDMN CC(C)c1nnc(-c2ccccc2NC(=O)c2cc([N+](=O)[O-])c[nH]2)[nH]1 ZINC000344251860 164137692 /nfs/dbraw/zinc/13/76/92/164137692.db2.gz JAQQDSFBHIYILY-UHFFFAOYSA-N 0 1 340.343 3.084 20 5 EGBDMN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1cc(-c2cccs2)n[nH]1 ZINC000352183435 165273359 /nfs/dbraw/zinc/27/33/59/165273359.db2.gz DHVTYMVUCIQHQT-UHFFFAOYSA-N 0 1 332.316 3.438 20 5 EGBDMN C[C@@]1(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCCc2ccccc21 ZINC000355983860 166366928 /nfs/dbraw/zinc/36/69/28/166366928.db2.gz HTGVMSPLLGQXLL-GOSISDBHSA-N 0 1 326.352 3.282 20 5 EGBDMN Cc1cccc(OC(F)F)c1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356004047 166372647 /nfs/dbraw/zinc/37/26/47/166372647.db2.gz RHMDEBKGSSBJGF-UHFFFAOYSA-N 0 1 338.266 3.463 20 5 EGBDMN O=C(Nc1ccc([C@@H]2CCOC2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000359062183 167055339 /nfs/dbraw/zinc/05/53/39/167055339.db2.gz CKWMHXVWZQZZKC-GFCCVEGCSA-N 0 1 328.324 3.057 20 5 EGBDMN Cc1coc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc12 ZINC000359080002 167062116 /nfs/dbraw/zinc/06/21/16/167062116.db2.gz HPOGRXFIVBSFQE-UHFFFAOYSA-N 0 1 332.337 3.450 20 5 EGBDMN Cc1c(CNCc2ccc(N(C)C(C)C)nc2)cccc1[N+](=O)[O-] ZINC000359812806 167239909 /nfs/dbraw/zinc/23/99/09/167239909.db2.gz XIXZCZSQYDHDFL-UHFFFAOYSA-N 0 1 328.416 3.433 20 5 EGBDMN CCOc1ccc([C@@H](C)NCc2ccnc(OC)c2)cc1[N+](=O)[O-] ZINC000179397992 265375408 /nfs/dbraw/zinc/37/54/08/265375408.db2.gz QIQQLPHKYGYKFW-GFCCVEGCSA-N 0 1 331.372 3.248 20 5 EGBDMN Cc1n[nH]c([C@H]2CCCN(Cc3cc(Cl)ccc3[N+](=O)[O-])C2)n1 ZINC000268478477 266283758 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CN(C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000506767304 312054080 /nfs/dbraw/zinc/05/40/80/312054080.db2.gz MKBZKKIOQQTIFL-IQIBNGDESA-N 0 1 340.379 3.380 20 5 EGBDMN CN(CCC1CCCCC1)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000507597494 312078809 /nfs/dbraw/zinc/07/88/09/312078809.db2.gz HNFFRVRXJPZBQZ-UHFFFAOYSA-N 0 1 333.432 3.460 20 5 EGBDMN C[C@H](C(=O)NC[C@@H](c1cccs1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000514770846 312244248 /nfs/dbraw/zinc/24/42/48/312244248.db2.gz RAMHVLYNTXWNHC-WFASDCNBSA-N 0 1 347.440 3.179 20 5 EGBDMN Cc1ccc(CN(C)Cc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000535781480 314074120 /nfs/dbraw/zinc/07/41/20/314074120.db2.gz FQISCSNBOVMBFX-UHFFFAOYSA-N 0 1 328.368 3.306 20 5 EGBDMN C[C@@H](O)C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000536649127 314134133 /nfs/dbraw/zinc/13/41/33/314134133.db2.gz GAQVOVMPAVOBKV-MRDWYFFCSA-N 0 1 326.396 3.491 20 5 EGBDMN CC[C@H]1CCCCN1C(=O)[C@@H](C)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000549157783 315078931 /nfs/dbraw/zinc/07/89/31/315078931.db2.gz NPSGPWSLSQKJKA-WBVHZDCISA-N 0 1 347.459 3.249 20 5 EGBDMN Cc1c(C[N@H+]2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000563886639 316086576 /nfs/dbraw/zinc/08/65/76/316086576.db2.gz SOIIMHYUFQAGTD-SJORKVTESA-N 0 1 340.379 3.203 20 5 EGBDMN C[C@H](C[N@@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000565107389 316267821 /nfs/dbraw/zinc/26/78/21/316267821.db2.gz YBQYDVWRLQQIMF-CQSZACIVSA-N 0 1 328.368 3.318 20 5 EGBDMN CC(C)c1ccc(CN[C@H]2CCN(C(C)(C)C)C2=O)cc1[N+](=O)[O-] ZINC000572157320 317299416 /nfs/dbraw/zinc/29/94/16/317299416.db2.gz PGDLGZLPAVORKQ-HNNXBMFYSA-N 0 1 333.432 3.207 20 5 EGBDMN COc1cc(CN(C)C(C)(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000572758252 317387375 /nfs/dbraw/zinc/38/73/75/317387375.db2.gz DMAYJRCVSSHWQR-UHFFFAOYSA-N 0 1 332.347 3.478 20 5 EGBDMN O=[N+]([O-])c1cnn(CCN2CCCC[C@@H]2c2cc3ccccc3[nH]2)c1 ZINC000157963039 455253975 /nfs/dbraw/zinc/25/39/75/455253975.db2.gz ANWWXLVLRGNDAX-GOSISDBHSA-N 0 1 339.399 3.500 20 5 EGBDMN CCN(CC)[C@H](CNC(=O)c1cc(C)ccc1[N+](=O)[O-])c1ccco1 ZINC000173285995 455259264 /nfs/dbraw/zinc/25/92/64/455259264.db2.gz BUDVMWOKEBBQBF-MRXNPFEDSA-N 0 1 345.399 3.309 20 5 EGBDMN CCNC(=O)c1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173323252 455266117 /nfs/dbraw/zinc/26/61/17/455266117.db2.gz URIVGWQWDZPTGD-CYBMUJFWSA-N 0 1 327.384 3.195 20 5 EGBDMN C[C@H](N[C@@H]1CC(=O)N(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000173356553 455272810 /nfs/dbraw/zinc/27/28/10/455272810.db2.gz STTFOXNXFGEDJM-DZGCQCFKSA-N 0 1 325.368 3.051 20 5 EGBDMN CC[C@@]1(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCOC1 ZINC000616487734 460570539 /nfs/dbraw/zinc/57/05/39/460570539.db2.gz VQABLAFYQMELOL-MRXNPFEDSA-N 0 1 333.413 3.377 20 5 EGBDMN Cc1cnc(C(C)(C)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000183939765 455341809 /nfs/dbraw/zinc/34/18/09/455341809.db2.gz QAHHSYASDXTXQH-UHFFFAOYSA-N 0 1 348.428 3.213 20 5 EGBDMN CCc1nn(C)c(CC)c1CNC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000184063544 455350349 /nfs/dbraw/zinc/35/03/49/455350349.db2.gz XSJUJRMPZCUNHS-UHFFFAOYSA-N 0 1 330.432 3.478 20 5 EGBDMN C[C@H](CN1CCCCC1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000027753995 453820148 /nfs/dbraw/zinc/82/01/48/453820148.db2.gz NXLGLBLWKNAWGA-GFCCVEGCSA-N 0 1 347.440 3.414 20 5 EGBDMN Cc1c(NC(=O)[C@H](C)Sc2nc(C3CC3)n[nH]2)cccc1[N+](=O)[O-] ZINC000028758898 453824499 /nfs/dbraw/zinc/82/44/99/453824499.db2.gz NZOMYUWHBBWKPJ-VIFPVBQESA-N 0 1 347.400 3.018 20 5 EGBDMN Cc1c(NC(=O)[C@H](C)Sc2n[nH]c(C3CC3)n2)cccc1[N+](=O)[O-] ZINC000028758898 453824500 /nfs/dbraw/zinc/82/45/00/453824500.db2.gz NZOMYUWHBBWKPJ-VIFPVBQESA-N 0 1 347.400 3.018 20 5 EGBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)CCCc1ccccc1 ZINC000052802447 453845056 /nfs/dbraw/zinc/84/50/56/453845056.db2.gz SYMSWPIIVLBNRB-UHFFFAOYSA-N 0 1 341.411 3.406 20 5 EGBDMN COc1cc(NCc2nc(-c3ccc(F)cc3)n[nH]2)ccc1[N+](=O)[O-] ZINC000075049880 453855124 /nfs/dbraw/zinc/85/51/24/453855124.db2.gz LAJZYIUWSMEDCW-UHFFFAOYSA-N 0 1 343.318 3.140 20 5 EGBDMN COc1cc(NCc2n[nH]c(-c3ccc(F)cc3)n2)ccc1[N+](=O)[O-] ZINC000075049880 453855126 /nfs/dbraw/zinc/85/51/26/453855126.db2.gz LAJZYIUWSMEDCW-UHFFFAOYSA-N 0 1 343.318 3.140 20 5 EGBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000067209408 453911129 /nfs/dbraw/zinc/91/11/29/453911129.db2.gz CYELJGHQCSIZCR-KRWDZBQOSA-N 0 1 345.374 3.075 20 5 EGBDMN Cc1nc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)cc2o1 ZINC000075632394 453912778 /nfs/dbraw/zinc/91/27/78/453912778.db2.gz YHXXWSUZIGMVDE-UHFFFAOYSA-N 0 1 347.352 3.154 20 5 EGBDMN CCN(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000067274332 453916472 /nfs/dbraw/zinc/91/64/72/453916472.db2.gz CFGGHURNIDZKAL-HNNXBMFYSA-N 0 1 349.362 3.140 20 5 EGBDMN CN(CCc1cccs1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000075966763 453943545 /nfs/dbraw/zinc/94/35/45/453943545.db2.gz VCRCLRIIXBGTJJ-UHFFFAOYSA-N 0 1 334.397 3.197 20 5 EGBDMN Cc1cc(C(=O)N2CCN(CCC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000056042996 454034662 /nfs/dbraw/zinc/03/46/62/454034662.db2.gz OLEKHFBUEWQPKC-UHFFFAOYSA-N 0 1 333.432 3.097 20 5 EGBDMN COc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](C)CC2)c([N+](=O)[O-])c1 ZINC000068830403 454058563 /nfs/dbraw/zinc/05/85/63/454058563.db2.gz VPOOKWLBELCGFL-OLZOCXBDSA-N 0 1 335.404 3.052 20 5 EGBDMN COCCOc1ccc([C@H](C)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000089512180 454157501 /nfs/dbraw/zinc/15/75/01/454157501.db2.gz PGHUCCFFZOAHSN-AWEZNQCLSA-N 0 1 330.384 3.471 20 5 EGBDMN CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H]1CCc2ccccc21 ZINC000046332703 454241951 /nfs/dbraw/zinc/24/19/51/454241951.db2.gz PNGUDBORDMJVCW-MRXNPFEDSA-N 0 1 336.351 3.231 20 5 EGBDMN CCOc1ccc(NC(=O)C[N@@H+](CC)[C@H](C)C(C)C)c([N+](=O)[O-])c1 ZINC000120227465 454274483 /nfs/dbraw/zinc/27/44/83/454274483.db2.gz HATLJAYBLSKUEC-CYBMUJFWSA-N 0 1 337.420 3.298 20 5 EGBDMN CC[C@@H](CSC)N(C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000091098150 454383817 /nfs/dbraw/zinc/38/38/17/454383817.db2.gz PRUWRTPZOQGNAP-LBPRGKRZSA-N 0 1 336.417 3.218 20 5 EGBDMN O=C(CCN1CCc2cc(F)ccc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000091894302 454485589 /nfs/dbraw/zinc/48/55/89/454485589.db2.gz UOUJACZBLDEUBR-UHFFFAOYSA-N 0 1 343.358 3.121 20 5 EGBDMN CCc1ccc([C@@H](COC)NCCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000184803314 455450376 /nfs/dbraw/zinc/45/03/76/455450376.db2.gz MYMRODXPZGDARC-MRXNPFEDSA-N 0 1 334.372 3.106 20 5 EGBDMN C[C@H]1C[C@@H]1c1ccc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)o1 ZINC000080367216 454572127 /nfs/dbraw/zinc/57/21/27/454572127.db2.gz JWZDZKPTQLZGTI-CABZTGNLSA-N 0 1 340.339 3.118 20 5 EGBDMN CC[C@H](C)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000104688003 454596593 /nfs/dbraw/zinc/59/65/93/454596593.db2.gz AXXNPQICONOMNG-VIFPVBQESA-N 0 1 344.209 3.026 20 5 EGBDMN COc1ccccc1[C@@H](CNc1cc(C)c([N+](=O)[O-])cn1)N(C)C ZINC000074725884 454625290 /nfs/dbraw/zinc/62/52/90/454625290.db2.gz JUBVHSOUHZKSMQ-OAHLLOKOSA-N 0 1 330.388 3.022 20 5 EGBDMN Cc1c(CN2CCC(C(=O)N3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000051560540 454630827 /nfs/dbraw/zinc/63/08/27/454630827.db2.gz DATFWBMMSCGPAS-UHFFFAOYSA-N 0 1 345.443 3.128 20 5 EGBDMN COc1ccccc1C[C@H](C)[N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093102259 454683487 /nfs/dbraw/zinc/68/34/87/454683487.db2.gz OANCHZAOHFDFEM-ZDUSSCGKSA-N 0 1 330.384 3.372 20 5 EGBDMN CCOC(=O)CC[C@@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000162065151 454748985 /nfs/dbraw/zinc/74/89/85/454748985.db2.gz VCMFOGNOPMNQDU-ZDUSSCGKSA-N 0 1 338.379 3.289 20 5 EGBDMN C[C@H](N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1(C)CC1 ZINC000177228030 454839235 /nfs/dbraw/zinc/83/92/35/454839235.db2.gz RZXXUYZJTLZRLD-JTQLQIEISA-N 0 1 325.796 3.307 20 5 EGBDMN CCN(CCc1ccccc1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000154069169 454863132 /nfs/dbraw/zinc/86/31/32/454863132.db2.gz OOQCNLBHRXAWMH-OAHLLOKOSA-N 0 1 341.411 3.486 20 5 EGBDMN COC[C@H]1CCCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000112988892 454909685 /nfs/dbraw/zinc/90/96/85/454909685.db2.gz LQGSUIXZAAPBLQ-OLZOCXBDSA-N 0 1 346.387 3.064 20 5 EGBDMN Cc1ccc(S(=O)(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cc1F ZINC000191565565 455497596 /nfs/dbraw/zinc/49/75/96/455497596.db2.gz XLOLKTFZXZBBDU-UHFFFAOYSA-N 0 1 338.360 3.460 20 5 EGBDMN C[C@@H]1C[C@@H](c2ccccc2)CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000115554387 455020266 /nfs/dbraw/zinc/02/02/66/455020266.db2.gz QOMQEJWFYWQJQR-GDBMZVCRSA-N 0 1 339.395 3.411 20 5 EGBDMN CCCCN(C)Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000179868011 455090832 /nfs/dbraw/zinc/09/08/32/455090832.db2.gz ZEQWEWFBLRZFHO-UHFFFAOYSA-N 0 1 332.347 3.479 20 5 EGBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC(=O)N(C)Cc1ccccc1 ZINC000119100089 455125594 /nfs/dbraw/zinc/12/55/94/455125594.db2.gz SLSZSDCQMALLFI-HNNXBMFYSA-N 0 1 341.411 3.212 20 5 EGBDMN C[C@H](NCc1cc(=O)oc2cc(O)ccc12)c1cccc([N+](=O)[O-])c1 ZINC000180423815 455166845 /nfs/dbraw/zinc/16/68/45/455166845.db2.gz DUOVDTHGYQZNLT-NSHDSACASA-N 0 1 340.335 3.258 20 5 EGBDMN C[C@@H](N[C@@H](C)C(=O)N(C)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000180443424 455171336 /nfs/dbraw/zinc/17/13/36/455171336.db2.gz MSLFXFIAQPBIFN-KGLIPLIRSA-N 0 1 333.432 3.425 20 5 EGBDMN CSCC[C@@H](C)N(C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000173483053 455290787 /nfs/dbraw/zinc/29/07/87/455290787.db2.gz XZXKOBCWGBPVQA-LLVKDONJSA-N 0 1 336.417 3.218 20 5 EGBDMN O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@H]4CCC[C@H]43)n2)cc1 ZINC000245465696 455308763 /nfs/dbraw/zinc/30/87/63/455308763.db2.gz YPKXUQNICOGEDR-IUODEOHRSA-N 0 1 328.372 3.409 20 5 EGBDMN CCc1ccc([C@H](COC)NCCOc2cccc([N+](=O)[O-])c2)o1 ZINC000184838544 455457463 /nfs/dbraw/zinc/45/74/63/455457463.db2.gz SKZNDKVCTRYRMP-INIZCTEOSA-N 0 1 334.372 3.106 20 5 EGBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)CCc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000277702756 455638918 /nfs/dbraw/zinc/63/89/18/455638918.db2.gz DOVUMNSVHSROQN-RYUDHWBXSA-N 0 1 345.403 3.036 20 5 EGBDMN CC(C)(C)c1nc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)n[nH]1 ZINC000292586853 455705175 /nfs/dbraw/zinc/70/51/75/455705175.db2.gz KDLDYEGEQHOUTA-UHFFFAOYSA-N 0 1 329.404 3.175 20 5 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CCC[C@H]1[C@H](C)CCCN1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000464742052 458767245 /nfs/dbraw/zinc/76/72/45/458767245.db2.gz WCBPZJMIRKBQKP-CJNGLKHVSA-N 0 1 349.431 3.443 20 5 EGBDMN O=C(NC[C@H]1CCCC[C@@H]1c1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000456783584 458781153 /nfs/dbraw/zinc/78/11/53/458781153.db2.gz VPRRLRQMFSPRBU-ZIAGYGMSSA-N 0 1 328.372 3.022 20 5 EGBDMN CC(C)(C)OC(=O)NC[C@]1(C)CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000495659513 458910888 /nfs/dbraw/zinc/91/08/88/458910888.db2.gz SZWSUCHOPDEWFT-SFHVURJKSA-N 0 1 349.431 3.332 20 5 EGBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000566861047 459012824 /nfs/dbraw/zinc/01/28/24/459012824.db2.gz XUMMOVFDUFYYEV-IFXJQAMLSA-N 0 1 340.379 3.384 20 5 EGBDMN Cc1cc(NCCC[N@@H+]2CCCC[C@H]2C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000567592071 459130390 /nfs/dbraw/zinc/13/03/90/459130390.db2.gz MJLWFNZUXKSXGJ-CYBMUJFWSA-N 0 1 335.404 3.278 20 5 EGBDMN O=[N+]([O-])c1ccc(CNCc2ccc(O[C@@H]3CCOC3)cc2)cc1 ZINC000594923893 459177753 /nfs/dbraw/zinc/17/77/53/459177753.db2.gz GXOVFBDKSYOZOH-GOSISDBHSA-N 0 1 328.368 3.052 20 5 EGBDMN O=[N+]([O-])c1ccccc1CNCc1ccc(O[C@@H]2CCOC2)cc1 ZINC000594925883 459179105 /nfs/dbraw/zinc/17/91/05/459179105.db2.gz PKVNZTRYUAEUHG-QGZVFWFLSA-N 0 1 328.368 3.052 20 5 EGBDMN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000521968057 459197209 /nfs/dbraw/zinc/19/72/09/459197209.db2.gz JLAQQDPYTSDJOW-UHFFFAOYSA-N 0 1 345.374 3.034 20 5 EGBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@H](C)[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000533234570 459204964 /nfs/dbraw/zinc/20/49/64/459204964.db2.gz JPIYEPZTEGIYIR-AVGNSLFASA-N 0 1 334.420 3.482 20 5 EGBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@H](C)[C@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000533234572 459205254 /nfs/dbraw/zinc/20/52/54/459205254.db2.gz JPIYEPZTEGIYIR-XQQFMLRXSA-N 0 1 334.420 3.482 20 5 EGBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCOCc1ccccc1 ZINC000595014279 459215875 /nfs/dbraw/zinc/21/58/75/459215875.db2.gz WBNGXHYJWSMXEW-AWEZNQCLSA-N 0 1 330.384 3.471 20 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/nfs/dbraw/zinc/91/94/14/459919414.db2.gz BUXAFNFIBYGKKG-OAHLLOKOSA-N 0 1 339.355 3.137 20 5 EGBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC000593732523 459968044 /nfs/dbraw/zinc/96/80/44/459968044.db2.gz MMTNCUKVZDSKCR-HNNXBMFYSA-N 0 1 326.352 3.283 20 5 EGBDMN CCn1c(C)nc([N+](=O)[O-])c1NCc1nc2ccc(Cl)cc2[nH]1 ZINC000588816965 459985690 /nfs/dbraw/zinc/98/56/90/459985690.db2.gz STUFHTAJTYPLKD-UHFFFAOYSA-N 0 1 334.767 3.261 20 5 EGBDMN C[C@H](NCc1cc(Br)c([N+](=O)[O-])s1)[C@@H]1CCCCO1 ZINC000602587176 460013150 /nfs/dbraw/zinc/01/31/50/460013150.db2.gz PICBTBYYCWYRRG-KWQFWETISA-N 0 1 349.250 3.466 20 5 EGBDMN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000618457268 460017040 /nfs/dbraw/zinc/01/70/40/460017040.db2.gz WULGCVSFRNSQLJ-UHFFFAOYSA-N 0 1 344.758 3.363 20 5 EGBDMN COc1ccccc1[C@@H]1CCCCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602775225 460118590 /nfs/dbraw/zinc/11/85/90/460118590.db2.gz JQUDNPXKYQECMB-INIZCTEOSA-N 0 1 344.415 3.336 20 5 EGBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCSC[C@H]1c1ccc(C)cc1 ZINC000602780657 460120017 /nfs/dbraw/zinc/12/00/17/460120017.db2.gz KUHJEWZYIDIYHF-INIZCTEOSA-N 0 1 346.456 3.198 20 5 EGBDMN NC(=O)c1ccc(CN2CCC(C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000610393480 460141412 /nfs/dbraw/zinc/14/14/12/460141412.db2.gz XQTOWHFYORWGGZ-UHFFFAOYSA-N 0 1 331.416 3.096 20 5 EGBDMN CC[C@H](N[C@H]1Cc2ccccc2NC1=O)c1cccc([N+](=O)[O-])c1 ZINC000599075303 460153514 /nfs/dbraw/zinc/15/35/14/460153514.db2.gz UHCPKIOICSLJRK-RDJZCZTQSA-N 0 1 325.368 3.199 20 5 EGBDMN Cc1ccc(OCCNCc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000610580830 460188726 /nfs/dbraw/zinc/18/87/26/460188726.db2.gz ONULDMRDIKGWNP-UHFFFAOYSA-N 0 1 327.340 3.213 20 5 EGBDMN O=C(NCCCCc1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000603514628 460314613 /nfs/dbraw/zinc/31/46/13/460314613.db2.gz GTSAGRBXDLSLAQ-UHFFFAOYSA-N 0 1 338.367 3.224 20 5 EGBDMN CC(=O)N1CC[C@@H](NCc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000611442765 460366900 /nfs/dbraw/zinc/36/69/00/460366900.db2.gz XSNUPSKEMYMJSK-MRXNPFEDSA-N 0 1 325.368 3.182 20 5 EGBDMN CCOc1ccc(NC(=O)CN[C@@H](C)c2ccsc2)c([N+](=O)[O-])c1 ZINC000619782883 460443042 /nfs/dbraw/zinc/44/30/42/460443042.db2.gz NGDOIAOLRYBQSC-NSHDSACASA-N 0 1 349.412 3.344 20 5 EGBDMN CCC(O)(CC)CN(C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000600215421 460446838 /nfs/dbraw/zinc/44/68/38/460446838.db2.gz KPWWVSLUOVRRRX-UHFFFAOYSA-N 0 1 332.347 3.179 20 5 EGBDMN C[C@@H](CN(C)Cc1nc2cc([N+](=O)[O-])ccc2o1)c1nccs1 ZINC000183977982 533746792 /nfs/dbraw/zinc/74/67/92/533746792.db2.gz NZYVAVCTAVAAFA-JTQLQIEISA-N 0 1 332.385 3.428 20 5 EGBDMN CC[C@](C)(NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000154599253 529370979 /nfs/dbraw/zinc/37/09/79/529370979.db2.gz ZGKRCSZWEINCLN-HOCLYGCPSA-N 0 1 335.429 3.308 20 5 EGBDMN CCCc1[nH]nc(C(=O)N2Cc3ccccc3[C@H](C)C2)c1[N+](=O)[O-] ZINC000737774086 574634766 /nfs/dbraw/zinc/63/47/66/574634766.db2.gz TVDKEVUKBJFROF-LLVKDONJSA-N 0 1 328.372 3.030 20 5 EGBDMN COc1ccc2c(c1OC)CCN(CCc1ccc([N+](=O)[O-])cc1)C2 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348.167 3.097 20 5 EGBDMN CSc1cccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000120079880 1293302192 /nfs/dbraw/zinc/30/21/92/1293302192.db2.gz JHBMFHMHTGWVJL-UHFFFAOYSA-N 0 1 330.412 3.179 20 5 EGBDMN CCC(=O)c1cccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000120291884 1293314570 /nfs/dbraw/zinc/31/45/70/1293314570.db2.gz XLZCYEPQRAWVEF-UHFFFAOYSA-N 0 1 340.382 3.050 20 5 EGBDMN Nc1ccc(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1[N+](=O)[O-] ZINC000179828007 1294832381 /nfs/dbraw/zinc/83/23/81/1294832381.db2.gz VUQLXPYZWKLIGT-UHFFFAOYSA-N 0 1 347.281 3.243 20 5 EGBDMN CCc1nc([C@@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2SC)n[nH]1 ZINC000872050564 1296701253 /nfs/dbraw/zinc/70/12/53/1296701253.db2.gz CDYAALLITHHFKK-NXEZZACHSA-N 0 1 335.433 3.409 20 5 EGBDMN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)[C@H](O)C(F)(F)F ZINC000872093408 1296729937 /nfs/dbraw/zinc/72/99/37/1296729937.db2.gz VSJVUNSALWILSO-UBJUHAIHSA-N 0 1 338.351 3.279 20 5 EGBDMN CC[C@H](NC1CN(C(=O)OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 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Cc1ccc(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1[N+](=O)[O-] ZINC000032246000 453866639 /nfs/dbraw/zinc/86/66/39/453866639.db2.gz WHLMRNMBFSKYDJ-KRWDZBQOSA-N 0 1 345.374 3.075 20 5 EGBDMN O=C(NCCc1ccccc1Cl)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000067330543 453922450 /nfs/dbraw/zinc/92/24/50/453922450.db2.gz BUWKZERBVPAXKY-UHFFFAOYSA-N 0 1 344.758 3.097 20 5 EGBDMN O=[N+]([O-])c1ccc(OCCN(Cc2ccco2)C[C@H]2CCCO2)cc1 ZINC000067387566 453927588 /nfs/dbraw/zinc/92/75/88/453927588.db2.gz JXDICYNQVKWRBI-GOSISDBHSA-N 0 1 346.383 3.248 20 5 EGBDMN COc1ccc(CN(C)CCOc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000076426285 454000058 /nfs/dbraw/zinc/00/00/58/454000058.db2.gz QGWONTDWCPHJFX-UHFFFAOYSA-N 0 1 334.347 3.253 20 5 EGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000043149319 454045248 /nfs/dbraw/zinc/04/52/48/454045248.db2.gz BGWMPXAYDPCTJX-HNNXBMFYSA-N 0 1 348.428 3.389 20 5 EGBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000091902189 454487859 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O=C(NCc1nc2ccc(F)cc2[nH]1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000080874700 454643294 /nfs/dbraw/zinc/64/32/94/454643294.db2.gz INCZRMCXLLBEPA-UHFFFAOYSA-N 0 1 348.721 3.194 20 5 EGBDMN Cc1cc(NS(=O)(=O)Cc2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000092865565 454648299 /nfs/dbraw/zinc/64/82/99/454648299.db2.gz OHYXSCFKDIPAPG-UHFFFAOYSA-N 0 1 342.323 3.123 20 5 EGBDMN Cc1ccc([C@H](C)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000123739017 454670589 /nfs/dbraw/zinc/67/05/89/454670589.db2.gz DZVXBBUNWSBFLK-NSHDSACASA-N 0 1 338.360 3.082 20 5 EGBDMN COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093102260 454683314 /nfs/dbraw/zinc/68/33/14/454683314.db2.gz OANCHZAOHFDFEM-CYBMUJFWSA-N 0 1 330.384 3.372 20 5 EGBDMN C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])[C@H](c2ccccc2)CO1 ZINC000093660562 454727588 /nfs/dbraw/zinc/72/75/88/454727588.db2.gz UXKFVABJOPWFPB-ACJLOTCBSA-N 0 1 328.368 3.262 20 5 EGBDMN CC(C)(C)C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000136457540 454743262 /nfs/dbraw/zinc/74/32/62/454743262.db2.gz APHONQURRDCQGU-GFCCVEGCSA-N 0 1 334.351 3.364 20 5 EGBDMN Cc1cc2ncc([C@@H](C)NCc3ccc([N+](=O)[O-])cc3)c(C)n2n1 ZINC000126051888 454867232 /nfs/dbraw/zinc/86/72/32/454867232.db2.gz JBJNNXBCNHWVFV-GFCCVEGCSA-N 0 1 325.372 3.105 20 5 EGBDMN CC(C)(CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccs1 ZINC000114427558 454954003 /nfs/dbraw/zinc/95/40/03/454954003.db2.gz VIQQYGQMABFETM-UHFFFAOYSA-N 0 1 344.396 3.240 20 5 EGBDMN CCCc1[nH]nc(C(=O)N2C[C@@H](c3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000115721563 455027770 /nfs/dbraw/zinc/02/77/70/455027770.db2.gz OGITZSDCUCDDHA-OCCSQVGLSA-N 0 1 342.399 3.289 20 5 EGBDMN O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000151880638 455043566 /nfs/dbraw/zinc/04/35/66/455043566.db2.gz WUALEQXKKOTVLT-HOCLYGCPSA-N 0 1 346.383 3.155 20 5 EGBDMN C[C@H](N[C@H]1CCCN(c2ccccc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000172029426 455110542 /nfs/dbraw/zinc/11/05/42/455110542.db2.gz CINQMIFRMFPRBD-KSSFIOAISA-N 0 1 339.395 3.441 20 5 EGBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000118850508 455115491 /nfs/dbraw/zinc/11/54/91/455115491.db2.gz ZUTWOJZLNAXEMK-IOASZLSFSA-N 0 1 347.415 3.195 20 5 EGBDMN COc1cc(CN2CC[C@H](C)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000180254496 455152122 /nfs/dbraw/zinc/15/21/22/455152122.db2.gz BESCBFXTBWHFRN-WDEREUQCSA-N 0 1 344.358 3.478 20 5 EGBDMN O=[N+]([O-])c1cnn(CCN[C@@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000180548933 455194431 /nfs/dbraw/zinc/19/44/31/455194431.db2.gz RIFBTPGBPHILAX-ZDUSSCGKSA-N 0 1 346.284 3.214 20 5 EGBDMN COc1ccc(OCCN2CCC[C@@H]2c2cccn2C)c([N+](=O)[O-])c1 ZINC000175492907 455453787 /nfs/dbraw/zinc/45/37/87/455453787.db2.gz XCAFBOXENKNMNQ-MRXNPFEDSA-N 0 1 345.399 3.158 20 5 EGBDMN Cc1cnc([C@@H](C)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)s1 ZINC000185031693 455488454 /nfs/dbraw/zinc/48/84/54/455488454.db2.gz QUFPCARRDJHYGT-GFCCVEGCSA-N 0 1 348.428 3.348 20 5 EGBDMN COc1cccc(NC2CCN(Cc3ccccn3)CC2)c1[N+](=O)[O-] ZINC000185197035 455519591 /nfs/dbraw/zinc/51/95/91/455519591.db2.gz PEAGKGOVVXOWHL-UHFFFAOYSA-N 0 1 342.399 3.075 20 5 EGBDMN C[C@@H]1CN(Cc2ccccc2)CCCN1c1ncc([N+](=O)[O-])s1 ZINC000192462551 455622556 /nfs/dbraw/zinc/62/25/56/455622556.db2.gz SFFGCQZEUYBDEM-CYBMUJFWSA-N 0 1 332.429 3.152 20 5 EGBDMN COc1ccc(F)cc1[C@H](C)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271641529 455709265 /nfs/dbraw/zinc/70/92/65/455709265.db2.gz HACBFANUVBTYET-ZBEGNZNMSA-N 0 1 334.347 3.127 20 5 EGBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@@H]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000269327246 455835782 /nfs/dbraw/zinc/83/57/82/455835782.db2.gz DGOPZNMYBFTCPC-CQSZACIVSA-N 0 1 342.399 3.071 20 5 EGBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@H](C)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000269373819 455845507 /nfs/dbraw/zinc/84/55/07/455845507.db2.gz MVPVKJHLDXYJNY-SNVBAGLBSA-N 0 1 334.351 3.414 20 5 EGBDMN CC(C)c1[nH]nc(C(=O)N2CCCC[C@H]2c2nccs2)c1[N+](=O)[O-] ZINC000269382592 455846294 /nfs/dbraw/zinc/84/62/94/455846294.db2.gz JVMDMFFDCUFNKV-JTQLQIEISA-N 0 1 349.416 3.265 20 5 EGBDMN O=C(CCN1CC=C(C(F)(F)F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000270311325 455926537 /nfs/dbraw/zinc/92/65/37/455926537.db2.gz PURZJEVODMVTHQ-UHFFFAOYSA-N 0 1 343.305 3.118 20 5 EGBDMN O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000261941232 455974982 /nfs/dbraw/zinc/97/49/82/455974982.db2.gz LKKOMQSGIZHFLL-NSHDSACASA-N 0 1 326.780 3.325 20 5 EGBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCCC[C@H](C)C1 ZINC000187990365 455976454 /nfs/dbraw/zinc/97/64/54/455976454.db2.gz MDVZFRLWKKSPHU-STQMWFEESA-N 0 1 335.404 3.052 20 5 EGBDMN COc1ccccc1C[C@@H](C)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272561874 455994121 /nfs/dbraw/zinc/99/41/21/455994121.db2.gz QUDJZLYWLNKXIW-GFCCVEGCSA-N 0 1 344.367 3.012 20 5 EGBDMN C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000296676936 456008154 /nfs/dbraw/zinc/00/81/54/456008154.db2.gz HSADZQDVFGWKFV-KBXIAJHMSA-N 0 1 333.432 3.423 20 5 EGBDMN CC(C)[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)c2ccccc2N1 ZINC000272602819 456010160 /nfs/dbraw/zinc/01/01/60/456010160.db2.gz XWKLNKVAPNOTBP-INIZCTEOSA-N 0 1 341.367 3.397 20 5 EGBDMN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2ccccc21 ZINC000296709451 456016543 /nfs/dbraw/zinc/01/65/43/456016543.db2.gz LUDSXWAFAUKMLO-UONOGXRCSA-N 0 1 339.395 3.223 20 5 EGBDMN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000263032732 456080972 /nfs/dbraw/zinc/08/09/72/456080972.db2.gz HIAGAZIPGBGYJP-JSGCOSHPSA-N 0 1 344.367 3.397 20 5 EGBDMN CCc1[nH]nc(C(=O)N(C)[C@H]2CCC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000297084724 456114511 /nfs/dbraw/zinc/11/45/11/456114511.db2.gz FABVXTSGNHNOTA-HIFRSBDPSA-N 0 1 342.399 3.289 20 5 EGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000188835456 456147464 /nfs/dbraw/zinc/14/74/64/456147464.db2.gz PMVGIJBTDWKVTG-UHFFFAOYSA-N 0 1 346.431 3.385 20 5 EGBDMN Cc1[nH]nc(C(=O)N(C)[C@H]2CCC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000297253401 456162692 /nfs/dbraw/zinc/16/26/92/456162692.db2.gz OPNZPLZOFGAVDG-KGLIPLIRSA-N 0 1 328.372 3.035 20 5 EGBDMN CC[C@H](C)N1CCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000297789203 456295631 /nfs/dbraw/zinc/29/56/31/456295631.db2.gz MOMJLSGJFKPIMA-AWEZNQCLSA-N 0 1 334.420 3.160 20 5 EGBDMN C[C@H](N[C@H]1CSC[C@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000352799282 456318250 /nfs/dbraw/zinc/31/82/50/456318250.db2.gz MFPMDCPHMFOEBZ-NRUUGDAUSA-N 0 1 334.401 3.047 20 5 EGBDMN C[C@H](NCC(=O)N(C)Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000298134445 456372884 /nfs/dbraw/zinc/37/28/84/456372884.db2.gz LDJKGYXGSDFTLR-ZDUSSCGKSA-N 0 1 345.374 3.043 20 5 EGBDMN CO[C@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)C1 ZINC000282359239 456489237 /nfs/dbraw/zinc/48/92/37/456489237.db2.gz NBZXWZZHNLAEGM-WBMJQRKESA-N 0 1 331.372 3.249 20 5 EGBDMN CC(C)(CN1CCCC1)Nc1ncc([N+](=O)[O-])cc1Br ZINC000308656525 456571971 /nfs/dbraw/zinc/57/19/71/456571971.db2.gz CWLMZHBIJXNOKW-UHFFFAOYSA-N 0 1 343.225 3.039 20 5 EGBDMN 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ZINC000581432471 325361157 /nfs/dbraw/zinc/36/11/57/325361157.db2.gz YNZHAAJLLRLAPM-BETUJISGSA-N 0 1 349.431 3.381 20 5 EGBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCN(C)C[C@H]1C(C)C ZINC000180701050 455230508 /nfs/dbraw/zinc/23/05/08/455230508.db2.gz VUPNOTXPJDJQAQ-HNNXBMFYSA-N 0 1 334.420 3.016 20 5 EGBDMN Cc1cc([N+](=O)[O-])ccc1CN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000183267783 455265068 /nfs/dbraw/zinc/26/50/68/455265068.db2.gz DXUQPMMYCLDVDX-UHFFFAOYSA-N 0 1 349.431 3.392 20 5 EGBDMN CCCCCc1nnc(NC(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000014714678 453542366 /nfs/dbraw/zinc/54/23/66/453542366.db2.gz YYMRTDFIKWFETM-UHFFFAOYSA-N 0 1 326.403 3.493 20 5 EGBDMN Cc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000025365196 453768347 /nfs/dbraw/zinc/76/83/47/453768347.db2.gz RXXBVFZNGLMOPG-UHFFFAOYSA-N 0 1 326.761 3.357 20 5 EGBDMN Cn1cnc([N+](=O)[O-])c1NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000029625400 453830349 /nfs/dbraw/zinc/83/03/49/453830349.db2.gz BLHFQVHIWTYSAQ-AWEZNQCLSA-N 0 1 349.822 3.231 20 5 EGBDMN C[C@H](CN(C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000066853956 453881089 /nfs/dbraw/zinc/88/10/89/453881089.db2.gz UMANRZOPZAOFSL-OAHLLOKOSA-N 0 1 341.411 3.293 20 5 EGBDMN CCCc1[nH]nc(C(=O)N(C)[C@@H]2CC[C@H](SCC)C2)c1[N+](=O)[O-] ZINC000174359827 455382250 /nfs/dbraw/zinc/38/22/50/455382250.db2.gz WHVVBXBOZICUIM-MNOVXSKESA-N 0 1 340.449 3.017 20 5 EGBDMN CC(C)N(C)C(=O)C1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075638104 453914212 /nfs/dbraw/zinc/91/42/12/453914212.db2.gz XDYVDYQHFYXLQE-AWEZNQCLSA-N 0 1 333.432 3.235 20 5 EGBDMN CCN(CC)[C@@H](CNC(=O)c1cccc(C)c1[N+](=O)[O-])c1ccco1 ZINC000067275592 453916884 /nfs/dbraw/zinc/91/68/84/453916884.db2.gz ZUXJRRJHOQHDEU-HNNXBMFYSA-N 0 1 345.399 3.309 20 5 EGBDMN C[C@@H](CN(C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1nccs1 ZINC000612404967 460622083 /nfs/dbraw/zinc/62/20/83/460622083.db2.gz SMCISEBRLULTES-NSHDSACASA-N 0 1 349.412 3.058 20 5 EGBDMN CN(C)[C@H](CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000068414953 454025430 /nfs/dbraw/zinc/02/54/30/454025430.db2.gz SQHZNFFBVUIUGU-XVJNWHFHSA-N 0 1 345.424 3.089 20 5 EGBDMN Cc1ccccc1CNC(=O)[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196464 454043277 /nfs/dbraw/zinc/04/32/77/454043277.db2.gz MEUVIGNMXDUUTG-LSDHHAIUSA-N 0 1 341.411 3.259 20 5 EGBDMN COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000056196927 454043342 /nfs/dbraw/zinc/04/33/42/454043342.db2.gz PUORPZZSVQIOED-STQMWFEESA-N 0 1 343.383 3.281 20 5 EGBDMN COc1ccccc1NC(=O)[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056197189 454043682 /nfs/dbraw/zinc/04/36/82/454043682.db2.gz QIEGWRWLFGVTTH-CHWSQXEVSA-N 0 1 343.383 3.281 20 5 EGBDMN Cc1ccc([C@H](C)NCCS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000095967453 454242221 /nfs/dbraw/zinc/24/22/21/454242221.db2.gz PPQMDSLAQGZBKN-AWEZNQCLSA-N 0 1 348.424 3.028 20 5 EGBDMN C[C@H](c1ccccc1F)N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000046357800 454244260 /nfs/dbraw/zinc/24/42/60/454244260.db2.gz CTDIDWMTZZIHPM-SNVBAGLBSA-N 0 1 342.330 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454542954 /nfs/dbraw/zinc/54/29/54/454542954.db2.gz CLWGEWDCTMQVHY-UHFFFAOYSA-N 0 1 343.730 3.286 20 5 EGBDMN COc1ccc2c(c1)CN(CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000065536754 454587715 /nfs/dbraw/zinc/58/77/15/454587715.db2.gz HDZBBQPPDZHSAG-UHFFFAOYSA-N 0 1 328.368 3.041 20 5 EGBDMN Cc1ccc(NCc2nc(-c3ccc(F)cc3)n[nH]2)c([N+](=O)[O-])c1 ZINC000080613128 454606597 /nfs/dbraw/zinc/60/65/97/454606597.db2.gz PJEWSYXNHHWWEZ-UHFFFAOYSA-N 0 1 327.319 3.440 20 5 EGBDMN Cc1ccc(NCc2n[nH]c(-c3ccc(F)cc3)n2)c([N+](=O)[O-])c1 ZINC000080613128 454606602 /nfs/dbraw/zinc/60/66/02/454606602.db2.gz PJEWSYXNHHWWEZ-UHFFFAOYSA-N 0 1 327.319 3.440 20 5 EGBDMN O=C(NCc1ccccc1Oc1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000123899936 454686652 /nfs/dbraw/zinc/68/66/52/454686652.db2.gz DDIYRZYHRUROKA-UHFFFAOYSA-N 0 1 338.323 3.040 20 5 EGBDMN C[C@]1(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCO1 ZINC000152880821 454736468 /nfs/dbraw/zinc/73/64/68/454736468.db2.gz IQZBMGPAZDPFQP-MRXNPFEDSA-N 0 1 333.413 3.377 20 5 EGBDMN CCOc1ccc([C@H](C)NCc2ccccc2CO)cc1[N+](=O)[O-] ZINC000153162883 454766523 /nfs/dbraw/zinc/76/65/23/454766523.db2.gz VMIBEWHSOUSIGC-ZDUSSCGKSA-N 0 1 330.384 3.337 20 5 EGBDMN O=[N+]([O-])c1ccc(CN2CCC(OC[C@H]3CCCCO3)CC2)cc1 ZINC000177601188 454882677 /nfs/dbraw/zinc/88/26/77/454882677.db2.gz MSCRJWDMUZORMM-GOSISDBHSA-N 0 1 334.416 3.145 20 5 EGBDMN CN(CCC(=O)N(C)c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000179187475 455017150 /nfs/dbraw/zinc/01/71/50/455017150.db2.gz ADQUIAXPXANIIQ-UHFFFAOYSA-N 0 1 327.384 3.080 20 5 EGBDMN CCCc1[nH]nc(C(=O)N2C[C@H](c3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000115721555 455027398 /nfs/dbraw/zinc/02/73/98/455027398.db2.gz OGITZSDCUCDDHA-GXTWGEPZSA-N 0 1 342.399 3.289 20 5 EGBDMN CC[C@H](NCc1cccc(C(=O)NC)c1)c1cccc([N+](=O)[O-])c1 ZINC000155901964 455059887 /nfs/dbraw/zinc/05/98/87/455059887.db2.gz CTPQVQMVBGFLJK-KRWDZBQOSA-N 0 1 327.384 3.195 20 5 EGBDMN CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000128640352 455074169 /nfs/dbraw/zinc/07/41/69/455074169.db2.gz HOPNLPYMSHZMJX-QGZVFWFLSA-N 0 1 341.411 3.147 20 5 EGBDMN COc1ccc(NC(=O)CN2[C@H](C)C[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000118850001 455115180 /nfs/dbraw/zinc/11/51/80/455115180.db2.gz GGDIXWUJSJQVHN-WWGRRREGSA-N 0 1 347.415 3.195 20 5 EGBDMN Cc1ccc(F)cc1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000180178053 455144799 /nfs/dbraw/zinc/14/47/99/455144799.db2.gz LTFJFGQWNGKFHZ-HNNXBMFYSA-N 0 1 330.363 3.124 20 5 EGBDMN CCOc1ccccc1NC(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180436790 455169720 /nfs/dbraw/zinc/16/97/20/455169720.db2.gz MUVUTJPTCUPKEG-ZDUSSCGKSA-N 0 1 343.383 3.283 20 5 EGBDMN Cc1[nH]nc(C(=O)N2CCC(=Cc3ccccc3F)CC2)c1[N+](=O)[O-] ZINC000268296568 455643516 /nfs/dbraw/zinc/64/35/16/455643516.db2.gz ZZEQQTOSXHXHFA-UHFFFAOYSA-N 0 1 344.346 3.085 20 5 EGBDMN CSC[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000292432001 455661089 /nfs/dbraw/zinc/66/10/89/455661089.db2.gz NRIYKAJZAQLLMS-NSHDSACASA-N 0 1 325.390 3.078 20 5 EGBDMN CNC(=O)c1cccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192740695 455683244 /nfs/dbraw/zinc/68/32/44/455683244.db2.gz MHRLECHCZQWFBL-SFHVURJKSA-N 0 1 339.395 3.122 20 5 EGBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cccc(C)c2[N+](=O)[O-])n[nH]1 ZINC000278014316 455734327 /nfs/dbraw/zinc/73/43/27/455734327.db2.gz XOVZPCPJRPJKOD-MWLCHTKSSA-N 0 1 331.376 3.026 20 5 EGBDMN Cc1nc2c(s1)[C@@H](N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCC2 ZINC000269285985 455828541 /nfs/dbraw/zinc/82/85/41/455828541.db2.gz NNFKDESXWTVEQP-AWEZNQCLSA-N 0 1 347.396 3.215 20 5 EGBDMN CS[C@H]1CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000296366273 455919221 /nfs/dbraw/zinc/91/92/21/455919221.db2.gz RFDGYCCBPTWMQA-MFKMUULPSA-N 0 1 334.401 3.143 20 5 EGBDMN C[C@@H](O)C[C@H]1CCCCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000286136115 455984859 /nfs/dbraw/zinc/98/48/59/455984859.db2.gz VIZRKQZQNWHUFP-TZMCWYRMSA-N 0 1 337.376 3.019 20 5 EGBDMN CC1(C)C[C@H](NCc2n[nH]c(C3CC3)n2)c2cc([N+](=O)[O-])ccc21 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C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ncc(C(=O)[O-])s1 ZINC001593255399 994515362 /nfs/dbraw/zinc/51/53/62/994515362.db2.gz BMHUFOSTWHIVKT-OAQKJQOQSA-N 0 1 333.369 3.114 20 5 EGBDMN Cc1ccc([C@@H](C)NCC(=O)N[C@@H](C)c2cccs2)cc1[N+](=O)[O-] ZINC000181816377 234334117 /nfs/dbraw/zinc/33/41/17/234334117.db2.gz UFGDAWQHVFJFKM-OLZOCXBDSA-N 0 1 347.440 3.493 20 5 EGBDMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](O)c1ccc(C)cc1 ZINC000236848663 242380230 /nfs/dbraw/zinc/38/02/30/242380230.db2.gz UHRRVFKKNWIBBV-QGZVFWFLSA-N 0 1 330.384 3.125 20 5 EGBDMN O=C(N[C@@H]1CCCc2ccc(F)cc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000357474442 284040455 /nfs/dbraw/zinc/04/04/55/284040455.db2.gz LJZPNEWSNVWIPZ-MRXNPFEDSA-N 0 1 330.315 3.247 20 5 EGBDMN CCCc1[nH]nc(C(=O)N2CCCC[C@H](SCC)C2)c1[N+](=O)[O-] ZINC000264835115 246954354 /nfs/dbraw/zinc/95/43/54/246954354.db2.gz IJRQVLQSQLFTCC-NSHDSACASA-N 0 1 340.449 3.018 20 5 EGBDMN C[C@H](Cn1cccn1)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000264945713 247072429 /nfs/dbraw/zinc/07/24/29/247072429.db2.gz IQQMNURVGZQHPU-GFCCVEGCSA-N 0 1 343.412 3.093 20 5 EGBDMN COc1ccc(-c2n[nH]c(CNc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000378429555 169119409 /nfs/dbraw/zinc/11/94/09/169119409.db2.gz MDROFXJVKRJEEO-UHFFFAOYSA-N 0 1 325.328 3.001 20 5 EGBDMN COc1ccc(-c2nc(CNc3ccc([N+](=O)[O-])cc3)n[nH]2)cc1 ZINC000378429555 169119411 /nfs/dbraw/zinc/11/94/11/169119411.db2.gz MDROFXJVKRJEEO-UHFFFAOYSA-N 0 1 325.328 3.001 20 5 EGBDMN CCCC(=O)NC[C@@H]1CCCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000092707620 218159788 /nfs/dbraw/zinc/15/97/88/218159788.db2.gz GRNAZQBYIJMJNW-INIZCTEOSA-N 0 1 333.432 3.032 20 5 EGBDMN CCc1[nH]nc(C(=O)N2CC=C(c3cccc(C)c3)CC2)c1[N+](=O)[O-] ZINC000092770321 218166663 /nfs/dbraw/zinc/16/66/63/218166663.db2.gz YWXIHSLGSOIBLH-UHFFFAOYSA-N 0 1 340.383 3.118 20 5 EGBDMN O=[N+]([O-])c1cccc([C@H](O)CN(CCC(F)(F)F)CC2CC2)c1 ZINC000154429770 224252764 /nfs/dbraw/zinc/25/27/64/224252764.db2.gz UGLIFQHFVLTEQH-CQSZACIVSA-N 0 1 332.322 3.293 20 5 EGBDMN CCOCc1ccccc1CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000119561696 221347904 /nfs/dbraw/zinc/34/79/04/221347904.db2.gz KVKSYDSHOGDPNE-UHFFFAOYSA-N 0 1 330.384 3.430 20 5 EGBDMN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cnn(C)c1C(F)(F)F ZINC000338379076 141111852 /nfs/dbraw/zinc/11/18/52/141111852.db2.gz ISCVENJKIOPVMQ-UHFFFAOYSA-N 0 1 342.321 3.022 20 5 EGBDMN COc1ccc([C@H](CN(C)C)NCc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000341215485 141139755 /nfs/dbraw/zinc/13/97/55/141139755.db2.gz SVVDMNGCSMBVMC-SFHVURJKSA-N 0 1 347.390 3.135 20 5 EGBDMN O=C(NCCc1csc2ccccc12)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356338001 141343623 /nfs/dbraw/zinc/34/36/23/141343623.db2.gz KPOQQZNARONQRM-UHFFFAOYSA-N 0 1 342.376 3.488 20 5 EGBDMN Cc1c(CN2CCC[C@@H](CC(=O)OC(C)C)C2)cccc1[N+](=O)[O-] ZINC000184479433 144093075 /nfs/dbraw/zinc/09/30/75/144093075.db2.gz SIZDTWAFOCLDMS-HNNXBMFYSA-N 0 1 334.416 3.457 20 5 EGBDMN O=C(NCC1(Cc2ccccc2)CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000186515095 144135929 /nfs/dbraw/zinc/13/59/29/144135929.db2.gz DGKQQOUBHQGNOG-UHFFFAOYSA-N 0 1 342.399 3.241 20 5 EGBDMN CC(C)[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000351248234 144261243 /nfs/dbraw/zinc/26/12/43/144261243.db2.gz FTWVSIGKJXESIV-KRWDZBQOSA-N 0 1 345.399 3.149 20 5 EGBDMN C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1c(F)cccc1F ZINC000351485798 144267855 /nfs/dbraw/zinc/26/78/55/144267855.db2.gz AKWVXSYVAOKEFD-MRVPVSSYSA-N 0 1 346.293 3.240 20 5 EGBDMN Cc1ccc([N+](=O)[O-])c(N2CCN(Cc3ccccc3)C(C)(C)C2)n1 ZINC000360673440 292286879 /nfs/dbraw/zinc/28/68/79/292286879.db2.gz AWIRAOOLLLSDMN-UHFFFAOYSA-N 0 1 340.427 3.399 20 5 EGBDMN O=[N+]([O-])c1cccc2c(N3CCN(Cc4ccccc4)CC3)ccnc21 ZINC000311886148 154149600 /nfs/dbraw/zinc/14/96/00/154149600.db2.gz XCCQBVPELJNZTI-UHFFFAOYSA-N 0 1 348.406 3.465 20 5 EGBDMN O=c1ccccn1C[C@@H](NCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000337290673 154264225 /nfs/dbraw/zinc/26/42/25/154264225.db2.gz MGLMWQGQYYCJEP-LJQANCHMSA-N 0 1 349.390 3.288 20 5 EGBDMN COc1ccc(OCCN2CCC[C@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000346965342 156220177 /nfs/dbraw/zinc/22/01/77/156220177.db2.gz CBSZWLWEJDSJCV-INIZCTEOSA-N 0 1 343.383 3.214 20 5 EGBDMN CN(Cc1c(F)cccc1F)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000358272936 156783132 /nfs/dbraw/zinc/78/31/32/156783132.db2.gz JAUMUBVZFQENLO-UHFFFAOYSA-N 0 1 346.293 3.022 20 5 EGBDMN C[C@@H](C(=O)NC1CCC(C)CC1)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338346055 163218567 /nfs/dbraw/zinc/21/85/67/163218567.db2.gz GTVGJVXRQIGVIW-CKDBGZEDSA-N 0 1 347.459 3.153 20 5 EGBDMN CN(CCc1ccccc1O)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000344166583 164118501 /nfs/dbraw/zinc/11/85/01/164118501.db2.gz MNDOYXGBMJLNHF-UHFFFAOYSA-N 0 1 327.340 3.116 20 5 EGBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)n2)cc1 ZINC000344255202 164138686 /nfs/dbraw/zinc/13/86/86/164138686.db2.gz VVDACOCTGWLTIK-UHFFFAOYSA-N 0 1 341.302 3.080 20 5 EGBDMN Cc1nccc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1Cl ZINC000350310831 165027811 /nfs/dbraw/zinc/02/78/11/165027811.db2.gz CKCQGNJFRLQXBE-UHFFFAOYSA-N 0 1 332.791 3.278 20 5 EGBDMN CC[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000124143754 222382008 /nfs/dbraw/zinc/38/20/08/222382008.db2.gz USIIRHUYSARCRM-OAHLLOKOSA-N 0 1 343.383 3.283 20 5 EGBDMN C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H](C)c1ccccc1 ZINC000177189352 265238638 /nfs/dbraw/zinc/23/86/38/265238638.db2.gz UOMURXOIEWDQLI-VXGBXAGGSA-N 0 1 338.367 3.393 20 5 EGBDMN C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H](C)c1ccccc1 ZINC000177189378 265239747 /nfs/dbraw/zinc/23/97/47/265239747.db2.gz UOMURXOIEWDQLI-NEPJUHHUSA-N 0 1 338.367 3.393 20 5 EGBDMN C[C@@H]1[C@H](c2ccccc2)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000177547905 265263155 /nfs/dbraw/zinc/26/31/55/265263155.db2.gz WERVVXCYQDNOGO-GDBMZVCRSA-N 0 1 339.395 3.411 20 5 EGBDMN CC(C)c1[nH]nc(C(=O)N(C)C[C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000269393580 266287094 /nfs/dbraw/zinc/28/70/94/266287094.db2.gz MMBMFSYMRBBZDU-LBPRGKRZSA-N 0 1 330.388 3.317 20 5 EGBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@@H](C)c2ccccc2F)c1[N+](=O)[O-] ZINC000269418162 266291014 /nfs/dbraw/zinc/29/10/14/266291014.db2.gz WWQXXRVAJGZMAJ-JTQLQIEISA-N 0 1 334.351 3.414 20 5 EGBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000269554041 266316049 /nfs/dbraw/zinc/31/60/49/266316049.db2.gz YPEHFUDISMMBOW-AWEZNQCLSA-N 0 1 342.399 3.146 20 5 EGBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000269554044 266316755 /nfs/dbraw/zinc/31/67/55/266316755.db2.gz YPEHFUDISMMBOW-CQSZACIVSA-N 0 1 342.399 3.146 20 5 EGBDMN Cc1[nH]nc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000274794693 267288489 /nfs/dbraw/zinc/28/84/89/267288489.db2.gz ZMWXWPQDPOWATC-UHFFFAOYSA-N 0 1 348.790 3.300 20 5 EGBDMN CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H](C)Cc1ccsc1 ZINC000275224945 267331462 /nfs/dbraw/zinc/33/14/62/267331462.db2.gz NXGAEYJGWCWVPU-NSHDSACASA-N 0 1 334.397 3.455 20 5 EGBDMN CO[C@@H]1CCCC[C@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000275256769 267336668 /nfs/dbraw/zinc/33/66/68/267336668.db2.gz REZSEDPZZFVXCM-HZPDHXFCSA-N 0 1 331.372 3.297 20 5 EGBDMN O=[N+]([O-])c1cc(Br)ccc1N1CCN(C2CCC2)CC1 ZINC000336891397 275032919 /nfs/dbraw/zinc/03/29/19/275032919.db2.gz IPCWYOHTMHLUGX-UHFFFAOYSA-N 0 1 340.221 3.032 20 5 EGBDMN CCC(CC)N(CCOC)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000102928597 275159814 /nfs/dbraw/zinc/15/98/14/275159814.db2.gz VEOSSDJAAFCCGP-UHFFFAOYSA-N 0 1 348.403 3.282 20 5 EGBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCNC(C)(C)c1nccs1 ZINC000118847805 275189761 /nfs/dbraw/zinc/18/97/61/275189761.db2.gz HBRDQPRLIYNSCV-UHFFFAOYSA-N 0 1 348.428 3.213 20 5 EGBDMN C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(O)c1 ZINC000181492518 275207277 /nfs/dbraw/zinc/20/72/77/275207277.db2.gz GGXTVTNWFIVYEV-JTQLQIEISA-N 0 1 349.774 3.243 20 5 EGBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@H](C)OC2(CCOCC2)C1 ZINC000279849304 275365738 /nfs/dbraw/zinc/36/57/38/275365738.db2.gz RZLKXXJSZWGYKT-LSDHHAIUSA-N 0 1 334.416 3.234 20 5 EGBDMN Cc1[nH]nc(C(=O)N2C[C@H](C)CC[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000288400249 276209966 /nfs/dbraw/zinc/20/99/66/276209966.db2.gz MTPSMPNTWYQBKN-RISCZKNCSA-N 0 1 328.372 3.240 20 5 EGBDMN O=C(N[C@@H](C1CC1)C(F)(F)F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000288540565 276225610 /nfs/dbraw/zinc/22/56/10/276225610.db2.gz JEPPFHPVVMYWAH-JTQLQIEISA-N 0 1 338.232 3.144 20 5 EGBDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1cnc(C(C)(C)C)nc1 ZINC000289568018 276359066 /nfs/dbraw/zinc/35/90/66/276359066.db2.gz SHNAZMMCBXZNTB-UHFFFAOYSA-N 0 1 328.416 3.357 20 5 EGBDMN O=[N+]([O-])c1ccccc1OCCN1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000289629507 276368957 /nfs/dbraw/zinc/36/89/57/276368957.db2.gz RVNXRULYNSZVCG-DLBZAZTESA-N 0 1 332.400 3.007 20 5 EGBDMN Cc1ccc([C@H](C)N[C@H](C)C(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000178687963 278854963 /nfs/dbraw/zinc/85/49/63/278854963.db2.gz BWSIZPHDUBTRTR-LSDHHAIUSA-N 0 1 333.432 3.345 20 5 EGBDMN Cc1cc([N+](=O)[O-])cnc1N1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000413528280 309035934 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CC(C)OC(=O)C[C@@H](NCc1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000594038548 460067618 /nfs/dbraw/zinc/06/76/18/460067618.db2.gz BWKOUIGRWDBYQH-CQSZACIVSA-N 0 1 326.368 3.190 20 5 EGBDMN CCc1nc(C)c([C@H](C)N(C)CCn2c(C)ncc2[N+](=O)[O-])s1 ZINC000602778150 460120648 /nfs/dbraw/zinc/12/06/48/460120648.db2.gz CAWHHKISHTXHQB-NSHDSACASA-N 0 1 337.449 3.120 20 5 EGBDMN Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](c2ccc(C)cc2)C[C@@H]1C ZINC000602819391 460144082 /nfs/dbraw/zinc/14/40/82/460144082.db2.gz ARHGAAXHAWNQEG-WMLDXEAASA-N 0 1 328.416 3.286 20 5 EGBDMN CC[C@H](CN1CCCC1)Nc1ncc([N+](=O)[O-])cc1Br ZINC000610575773 460186859 /nfs/dbraw/zinc/18/68/59/460186859.db2.gz PBOJLEPFJZJGCD-SNVBAGLBSA-N 0 1 343.225 3.039 20 5 EGBDMN C[C@@](CO)(NCc1nc2cc([N+](=O)[O-])ccc2o1)C1CCCCC1 ZINC000610585815 460189833 /nfs/dbraw/zinc/18/98/33/460189833.db2.gz FDIZIVZVKQCNSK-KRWDZBQOSA-N 0 1 333.388 3.157 20 5 EGBDMN CCC(C)(C)N1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000594389460 460203058 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Cc1ncc([C@H](C)N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000601936368 460950584 /nfs/dbraw/zinc/95/05/84/460950584.db2.gz SNLMGNPKGBWFOV-UWVGGRQHSA-N 0 1 334.401 3.038 20 5 EGBDMN Cc1ncc([C@H](C)N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000601936303 460950742 /nfs/dbraw/zinc/95/07/42/460950742.db2.gz RWBFHAGDPFYLLE-VHSXEESVSA-N 0 1 334.401 3.038 20 5 EGBDMN CC(C)CCOC1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178574664 527746768 /nfs/dbraw/zinc/74/67/68/527746768.db2.gz YQFGAVWQPVMTHY-GOSISDBHSA-N 0 1 336.432 3.155 20 5 EGBDMN CCNC(=O)c1cccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000178645219 528270230 /nfs/dbraw/zinc/27/02/30/528270230.db2.gz FPPVUJHEROBYLM-CYBMUJFWSA-N 0 1 327.384 3.195 20 5 EGBDMN CCC[C@@](C)(O)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000264939861 535546557 /nfs/dbraw/zinc/54/65/57/535546557.db2.gz FROGVLWLNCDUJE-MRXNPFEDSA-N 0 1 335.429 3.359 20 5 EGBDMN O=[N+]([O-])c1ccc([C@H](O)CNCc2nc3ccccc3s2)cc1 ZINC000727059803 574638603 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CCC[C@@H]1CCCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000121379115 1293369121 /nfs/dbraw/zinc/36/91/21/1293369121.db2.gz FYHQRPAYBMYUDI-CQSZACIVSA-N 0 1 329.404 3.323 20 5 EGBDMN CCC[C@@H]1CCCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000121388038 1293369326 /nfs/dbraw/zinc/36/93/26/1293369326.db2.gz BKPUGMHWUSAOGI-CQSZACIVSA-N 0 1 329.404 3.323 20 5 EGBDMN CN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000173920391 1294473379 /nfs/dbraw/zinc/47/33/79/1294473379.db2.gz ZHLOTKWJPMCZHO-OAHLLOKOSA-N 0 1 335.404 3.036 20 5 EGBDMN C[C@@H](O)C[C@H]1CCCN1Cc1cccc([N+](=O)[O-])c1Br ZINC000235221190 1296182458 /nfs/dbraw/zinc/18/24/58/1296182458.db2.gz AWQXKYBBTKXPDR-ZYHUDNBSSA-N 0 1 343.221 3.093 20 5 EGBDMN Cc1c(CNCc2ccc(OCC3CC3)nc2)cccc1[N+](=O)[O-] ZINC000873031549 1297236072 /nfs/dbraw/zinc/23/60/72/1297236072.db2.gz VCXWEXZNPJGNNF-UHFFFAOYSA-N 0 1 327.384 3.377 20 5 EGBDMN CCc1nnc(SCc2cccc([N+](=O)[O-])c2Br)[nH]1 ZINC000714122830 1298272586 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O=[N+]([O-])c1ccc(Cl)c(CNC[C@H](O)c2ccc(F)c(F)c2)c1 ZINC000748815496 1299084644 /nfs/dbraw/zinc/08/46/44/1299084644.db2.gz JZMKXCBJZCPVHC-HNNXBMFYSA-N 0 1 342.729 3.350 20 5 EGBDMN O=C(Oc1ccccc1Oc1ccccn1)c1ccc([N+](=O)[O-])[nH]1 ZINC000749097061 1299140511 /nfs/dbraw/zinc/14/05/11/1299140511.db2.gz NZNUOZKITAMKOE-UHFFFAOYSA-N 0 1 325.280 3.329 20 5 EGBDMN C[C@H]1c2ccc(F)cc2CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750080135 1299335952 /nfs/dbraw/zinc/33/59/52/1299335952.db2.gz HZFUFRWQWRRACH-SGTLLEGYSA-N 0 1 330.359 3.387 20 5 EGBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cc1ccnc(N(C)C)c1 ZINC000754016346 1300065636 /nfs/dbraw/zinc/06/56/36/1300065636.db2.gz CAINZPZLQWTATQ-UHFFFAOYSA-N 0 1 328.416 3.466 20 5 EGBDMN C[C@H](NCCOC(=O)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000880092050 1300923084 /nfs/dbraw/zinc/92/30/84/1300923084.db2.gz TUEXVGAGQALYPB-AWEZNQCLSA-N 0 1 328.368 3.031 20 5 EGBDMN Cc1nn(CN2CCCC3(CCOCC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761294154 1301438260 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EGBDMN O=[N+]([O-])c1cc(CN2CCC[C@@]2(CO)Cc2ccccc2)cs1 ZINC000355351695 166171185 /nfs/dbraw/zinc/17/11/85/166171185.db2.gz FDGBEFLROPCIMY-KRWDZBQOSA-N 0 1 332.425 3.226 20 5 EGBDMN CN(c1ccccc1)c1ccc(CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000359092457 167064870 /nfs/dbraw/zinc/06/48/70/167064870.db2.gz IGDCKCLGCJAMNJ-UHFFFAOYSA-N 0 1 340.427 3.110 20 5 EGBDMN Cc1cscc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000175262438 265104548 /nfs/dbraw/zinc/10/45/48/265104548.db2.gz LPFGQXKGBVIABJ-UHFFFAOYSA-N 0 1 329.341 3.002 20 5 EGBDMN COc1ccccc1C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269662273 266336006 /nfs/dbraw/zinc/33/60/06/266336006.db2.gz KBVWLKMCMDUSOV-SFHVURJKSA-N 0 1 342.395 3.301 20 5 EGBDMN COc1ccccc1CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269662273 266336009 /nfs/dbraw/zinc/33/60/09/266336009.db2.gz KBVWLKMCMDUSOV-SFHVURJKSA-N 0 1 342.395 3.301 20 5 EGBDMN CC(C)c1[nH]nc(C(=O)N(C)CC2(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000275489725 267369670 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EGBDMN Cc1c(NC(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)cccc1[N+](=O)[O-] ZINC000270829351 456048733 /nfs/dbraw/zinc/04/87/33/456048733.db2.gz ZOOTWXFLAVNFQQ-JTQLQIEISA-N 0 1 332.364 3.027 20 5 EGBDMN Cc1n[nH]c([C@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3Cl)C2)n1 ZINC000272808889 456075841 /nfs/dbraw/zinc/07/58/41/456075841.db2.gz MSOKCPZRPJVHGQ-LBPRGKRZSA-N 0 1 335.795 3.054 20 5 EGBDMN CCOc1ccc([C@H](C)N[C@@H]2c3ccccc3C[C@@H]2O)cc1[N+](=O)[O-] ZINC000271144793 456139840 /nfs/dbraw/zinc/13/98/40/456139840.db2.gz OZPLEHIPRNLQJT-OYYNGEPBSA-N 0 1 342.395 3.302 20 5 EGBDMN CCOc1ccc([C@H](C)NCc2ccc(N(C)C)nc2)cc1[N+](=O)[O-] ZINC000271168700 456150872 /nfs/dbraw/zinc/15/08/72/456150872.db2.gz TVKXXYFVNPMAPP-ZDUSSCGKSA-N 0 1 344.415 3.305 20 5 EGBDMN COc1cc(CNCc2cccc([N+](=O)[O-])c2C)cc(OC)c1OC ZINC000237113532 456234990 /nfs/dbraw/zinc/23/49/90/456234990.db2.gz UCGKPBNHSNUYAK-UHFFFAOYSA-N 0 1 346.383 3.219 20 5 EGBDMN C[C@H](N[C@H]1CSC[C@@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000352799281 456318662 /nfs/dbraw/zinc/31/86/62/456318662.db2.gz MFPMDCPHMFOEBZ-KWBADKCTSA-N 0 1 334.401 3.047 20 5 EGBDMN O=C(NCc1ccc(F)c(Cl)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000337693529 456485757 /nfs/dbraw/zinc/48/57/57/456485757.db2.gz QMJJLRUTRILYFB-UHFFFAOYSA-N 0 1 348.721 3.194 20 5 EGBDMN C[C@H](N[C@H]1CCc2ccccc2NC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000298414331 456450689 /nfs/dbraw/zinc/45/06/89/456450689.db2.gz PGOZSHWSYNZFKM-SJCJKPOMSA-N 0 1 325.368 3.199 20 5 EGBDMN O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000299085940 456602917 /nfs/dbraw/zinc/60/29/17/456602917.db2.gz GAJYZDDHFAKLLN-UHFFFAOYSA-N 0 1 342.399 3.204 20 5 EGBDMN CCOc1cc(CN[C@@H](CCO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000276938849 456626459 /nfs/dbraw/zinc/62/64/59/456626459.db2.gz RZPJQUBVYZLSFL-INIZCTEOSA-N 0 1 330.384 3.207 20 5 EGBDMN Nc1ccc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000283562241 456803278 /nfs/dbraw/zinc/80/32/78/456803278.db2.gz NLQZEJWASKUMDZ-UHFFFAOYSA-N 0 1 344.390 3.028 20 5 EGBDMN Nc1ccc(N2CCCN(Cc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000283562241 456803281 /nfs/dbraw/zinc/80/32/81/456803281.db2.gz NLQZEJWASKUMDZ-UHFFFAOYSA-N 0 1 344.390 3.028 20 5 EGBDMN O=C(N[C@H]1CSc2ccccc21)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000344431250 456828445 /nfs/dbraw/zinc/82/84/45/456828445.db2.gz FJFPZFFXHYXRII-ZDUSSCGKSA-N 0 1 340.364 3.048 20 5 EGBDMN C[C@H]1CN(c2cccc(F)c2)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339210547 456993692 /nfs/dbraw/zinc/99/36/92/456993692.db2.gz ZBXKGSPAZPIZPA-ZDUSSCGKSA-N 0 1 345.374 3.150 20 5 EGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000356556174 457052846 /nfs/dbraw/zinc/05/28/46/457052846.db2.gz YCTVCUBRTRAIAT-GFCCVEGCSA-N 0 1 330.315 3.069 20 5 EGBDMN CSc1cccc(F)c1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000359101999 457055820 /nfs/dbraw/zinc/05/58/20/457055820.db2.gz YAGDRWRWMAIIGU-UHFFFAOYSA-N 0 1 336.344 3.091 20 5 EGBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000362742877 457072763 /nfs/dbraw/zinc/07/27/63/457072763.db2.gz UPMUPLREMPGTQT-KOLCDFICSA-N 0 1 346.391 3.418 20 5 EGBDMN CCN1C[C@H](C)N(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000346734511 457137620 /nfs/dbraw/zinc/13/76/20/457137620.db2.gz YQDLTTHVXPJIPB-STQMWFEESA-N 0 1 334.420 3.158 20 5 EGBDMN COc1ccc(CN(Cc2cc(O)ccc2[N+](=O)[O-])C2CC2)cc1 ZINC000350039038 457152084 /nfs/dbraw/zinc/15/20/84/457152084.db2.gz WVWGJRXMEBFSTB-UHFFFAOYSA-N 0 1 328.368 3.474 20 5 EGBDMN O=C(NCC1(Cc2ccccc2)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356796254 457171078 /nfs/dbraw/zinc/17/10/78/457171078.db2.gz FMXBNMZVBSCGNS-UHFFFAOYSA-N 0 1 326.352 3.053 20 5 EGBDMN CCO[C@@H]1C[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1(CC)CC ZINC000356808265 457177151 /nfs/dbraw/zinc/17/71/51/457177151.db2.gz XZBIDLQCQFRULW-LSDHHAIUSA-N 0 1 336.388 3.014 20 5 EGBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H](C)C[C@@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000331476159 457191558 /nfs/dbraw/zinc/19/15/58/457191558.db2.gz BSVKNRZSIGEOHJ-WCQYABFASA-N 0 1 343.387 3.060 20 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ZINC000363946337 457465242 /nfs/dbraw/zinc/46/52/42/457465242.db2.gz MWLMFVRSNKTYQH-OIPACUDHSA-N 0 1 334.416 3.233 20 5 EGBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000363946336 457466090 /nfs/dbraw/zinc/46/60/90/457466090.db2.gz MWLMFVRSNKTYQH-AFIMGQEJSA-N 0 1 334.416 3.233 20 5 EGBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000363946336 457466098 /nfs/dbraw/zinc/46/60/98/457466098.db2.gz MWLMFVRSNKTYQH-AFIMGQEJSA-N 0 1 334.416 3.233 20 5 EGBDMN COC(=O)CC1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000360979345 457485391 /nfs/dbraw/zinc/48/53/91/457485391.db2.gz UFNBFGCVZLFORP-UHFFFAOYSA-N 0 1 343.383 3.231 20 5 EGBDMN COc1cc([N+](=O)[O-])ccc1CN[C@H](C)[C@H]1OCCc2sccc21 ZINC000366537360 457844224 /nfs/dbraw/zinc/84/42/24/457844224.db2.gz WZCHVKYAQYYUGS-PIGZYNQJSA-N 0 1 348.424 3.457 20 5 EGBDMN CCc1[nH]nc(C(=O)N2C[C@H](C)C[C@@H]2c2ccccc2F)c1[N+](=O)[O-] ZINC000444295195 457882301 /nfs/dbraw/zinc/88/23/01/457882301.db2.gz DTPWRCPZMIAPES-QMTHXVAHSA-N 0 1 346.362 3.243 20 5 EGBDMN CCOc1cc(CN2C[C@H](O)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000411916087 458009104 /nfs/dbraw/zinc/00/91/04/458009104.db2.gz ANJLNPXPRRRLPN-SJLPKXTDSA-N 0 1 342.395 3.301 20 5 EGBDMN COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)cc1C ZINC000358501226 458041974 /nfs/dbraw/zinc/04/19/74/458041974.db2.gz VKUCQGHWLREHPW-UHFFFAOYSA-N 0 1 336.369 3.021 20 5 EGBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C3CCC(C)CC3)CC2)c1 ZINC000358519240 458053569 /nfs/dbraw/zinc/05/35/69/458053569.db2.gz VCFYDRNMPOKLAO-UHFFFAOYSA-N 0 1 345.443 3.240 20 5 EGBDMN C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)Cc2ccccc2O1 ZINC000429112502 458272822 /nfs/dbraw/zinc/27/28/22/458272822.db2.gz GPLLXONSDAKRRM-CQSZACIVSA-N 0 1 328.368 3.257 20 5 EGBDMN C[C@@H](CN(C)Cc1nc2cc([N+](=O)[O-])ccc2o1)C(=O)OC(C)(C)C ZINC000459814812 458485174 /nfs/dbraw/zinc/48/51/74/458485174.db2.gz UQOWPDJLNUHJLL-NSHDSACASA-N 0 1 349.387 3.146 20 5 EGBDMN CCc1nn(C)c(OC)c1CNC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468622654 458528423 /nfs/dbraw/zinc/52/84/23/458528423.db2.gz UYOGAJVVRMBKJD-UKTHLTGXSA-N 0 1 344.415 3.092 20 5 EGBDMN C[C@H]1CC(=O)NCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000377889939 458564047 /nfs/dbraw/zinc/56/40/47/458564047.db2.gz RCEGTALWSARNLJ-LBPRGKRZSA-N 0 1 345.424 3.034 20 5 EGBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000518386444 458863966 /nfs/dbraw/zinc/86/39/66/458863966.db2.gz JRRGEFIVGGIHFI-MJEQTWJJSA-N 0 1 348.399 3.067 20 5 EGBDMN COc1ccc(NC(=O)[C@H](C)N2CC[C@@H](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000467177780 458955685 /nfs/dbraw/zinc/95/56/85/458955685.db2.gz XOZOQEVHDUTHCN-KBPBESRZSA-N 0 1 349.431 3.298 20 5 EGBDMN CC[C@H]1C[C@H](C)CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000467211548 458958659 /nfs/dbraw/zinc/95/86/59/458958659.db2.gz MWUCWUHCJLDNMQ-JQWIXIFHSA-N 0 1 325.796 3.307 20 5 EGBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3ccc[nH]3)cc2)c1 ZINC000442233628 458999136 /nfs/dbraw/zinc/99/91/36/458999136.db2.gz CWPABLWQCVQHDQ-UHFFFAOYSA-N 0 1 343.364 3.391 20 5 EGBDMN C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000566861045 459012327 /nfs/dbraw/zinc/01/23/27/459012327.db2.gz XUMMOVFDUFYYEV-AUUYWEPGSA-N 0 1 340.379 3.384 20 5 EGBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC000566861049 459012908 /nfs/dbraw/zinc/01/29/08/459012908.db2.gz XUMMOVFDUFYYEV-LIRRHRJNSA-N 0 1 340.379 3.384 20 5 EGBDMN CCOc1ccc(NC(=O)CN2CCC[C@@H]2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000532573808 459111699 /nfs/dbraw/zinc/11/16/99/459111699.db2.gz BAUSAYIQCUKAJK-MRXNPFEDSA-N 0 1 349.431 3.443 20 5 EGBDMN C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC000594734441 459145093 /nfs/dbraw/zinc/14/50/93/459145093.db2.gz ZUMFUPQQIFQTSZ-AXFHLTTASA-N 0 1 346.305 3.241 20 5 EGBDMN O=[N+]([O-])c1ccccc1CNCc1ccc(O[C@H]2CCOC2)cc1 ZINC000594925882 459178760 /nfs/dbraw/zinc/17/87/60/459178760.db2.gz PKVNZTRYUAEUHG-KRWDZBQOSA-N 0 1 328.368 3.052 20 5 EGBDMN COc1ccc(NC(=O)CN2CCC[C@H](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000533298699 459214495 /nfs/dbraw/zinc/21/44/95/459214495.db2.gz ASJNFPYNFNRDLQ-AWEZNQCLSA-N 0 1 349.431 3.300 20 5 EGBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1ccc2cnn(C)c2c1 ZINC000595037347 459224315 /nfs/dbraw/zinc/22/43/15/459224315.db2.gz FGHWOJHUAMKPAD-GFCCVEGCSA-N 0 1 340.383 3.341 20 5 EGBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000559426574 459258614 /nfs/dbraw/zinc/25/86/14/459258614.db2.gz HCBCTSMEECUDSH-HIFRSBDPSA-N 0 1 347.415 3.052 20 5 EGBDMN Cc1c(NC(=O)[C@@H](C)N2CC[C@H](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000591063041 459303475 /nfs/dbraw/zinc/30/34/75/459303475.db2.gz HJELWNOGMOMLHV-HIFRSBDPSA-N 0 1 331.416 3.352 20 5 EGBDMN C[C@H](CO)[C@@H]1CCCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000595679411 459394876 /nfs/dbraw/zinc/39/48/76/459394876.db2.gz VZCNJOCLRXOXSD-DYVFJYSZSA-N 0 1 345.399 3.233 20 5 EGBDMN 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/nfs/dbraw/zinc/23/43/95/454234395.db2.gz CLBRNRQCAOQCKY-SECBINFHSA-N 0 1 343.368 3.184 20 5 EGBDMN C[C@@H](N[C@@H](C)C(=O)NCCc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000071902522 454249254 /nfs/dbraw/zinc/24/92/54/454249254.db2.gz NJNFFEDDUDDCPF-OLZOCXBDSA-N 0 1 347.440 3.054 20 5 EGBDMN Cc1cnc(N2CCCN(Cc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000078627995 454288907 /nfs/dbraw/zinc/28/89/07/454288907.db2.gz RHLXAAGPVLPZPW-UHFFFAOYSA-N 0 1 344.390 3.150 20 5 EGBDMN Cc1[nH]nc(C(=O)N(Cc2ccco2)Cc2ccccc2)c1[N+](=O)[O-] ZINC000064336525 454474169 /nfs/dbraw/zinc/47/41/69/454474169.db2.gz GIXJBEZNZXTFPA-UHFFFAOYSA-N 0 1 340.339 3.062 20 5 EGBDMN CC(C)c1ccc(CN2CCC(Cn3ccnn3)CC2)cc1[N+](=O)[O-] ZINC000092098437 454521321 /nfs/dbraw/zinc/52/13/21/454521321.db2.gz KISLTILSEOCPCH-UHFFFAOYSA-N 0 1 343.431 3.222 20 5 EGBDMN O=[N+]([O-])c1ccc(O)cc1CN(Cc1ccco1)C[C@H]1CCCO1 ZINC000092436148 454566289 /nfs/dbraw/zinc/56/62/89/454566289.db2.gz FVGOVBZXLCPZKF-MRXNPFEDSA-N 0 1 332.356 3.075 20 5 EGBDMN O=[N+]([O-])c1ccc2ccnc(N3CCN(Cc4ccccc4)CC3)c2c1 ZINC000074401179 454574619 /nfs/dbraw/zinc/57/46/19/454574619.db2.gz XTLXUFOZHQOWLS-UHFFFAOYSA-N 0 1 348.406 3.465 20 5 EGBDMN CC(C)c1cc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)n[nH]1 ZINC000052209411 454662001 /nfs/dbraw/zinc/66/20/01/454662001.db2.gz QPGGLZDNKBUHPR-UHFFFAOYSA-N 0 1 336.779 3.367 20 5 EGBDMN Cc1ccccc1[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000093478288 454718291 /nfs/dbraw/zinc/71/82/91/454718291.db2.gz BIFWHVVJYBOXLF-SFHVURJKSA-N 0 1 328.368 3.182 20 5 EGBDMN CC(C)(NCc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CCCCC1 ZINC000129508557 455114659 /nfs/dbraw/zinc/11/46/59/455114659.db2.gz RIKUCMBYHWUNLV-UHFFFAOYSA-N 0 1 333.432 3.160 20 5 EGBDMN C[C@@H](NCC(=O)Nc1cc(F)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000180415889 455165822 /nfs/dbraw/zinc/16/58/22/455165822.db2.gz FJEKDGREYVSEPY-SNVBAGLBSA-N 0 1 335.310 3.162 20 5 EGBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000158982029 455342931 /nfs/dbraw/zinc/34/29/31/455342931.db2.gz LSGMJBVLMFFINO-LURJTMIESA-N 0 1 329.143 3.116 20 5 EGBDMN Cc1ccc([C@H](C)NCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000181830684 455386793 /nfs/dbraw/zinc/38/67/93/455386793.db2.gz NRAXCWCUWQCTKU-KKUMJFAQSA-N 0 1 333.432 3.343 20 5 EGBDMN CCc1[nH]nc(C(=O)N(C)[C@H](C)c2ccc(C)cc2C)c1[N+](=O)[O-] ZINC000277741122 455652553 /nfs/dbraw/zinc/65/25/53/455652553.db2.gz PTIWAERJBVXIRB-GFCCVEGCSA-N 0 1 330.388 3.330 20 5 EGBDMN CO[C@@]1(C)CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000280338846 455951201 /nfs/dbraw/zinc/95/12/01/455951201.db2.gz IFRWOQJEUJJYFY-KRWDZBQOSA-N 0 1 346.387 3.036 20 5 EGBDMN O=C([O-])CC[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000261941230 455975033 /nfs/dbraw/zinc/97/50/33/455975033.db2.gz LKKOMQSGIZHFLL-LLVKDONJSA-N 0 1 326.780 3.325 20 5 EGBDMN Cn1ccnc1[C@H](NCC1CCSCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272547123 455989652 /nfs/dbraw/zinc/98/96/52/455989652.db2.gz QLXQQKQOWBVVCW-MRXNPFEDSA-N 0 1 346.456 3.151 20 5 EGBDMN CCc1[nH]nc(C(=O)N2C[C@H](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000286296913 456018299 /nfs/dbraw/zinc/01/82/99/456018299.db2.gz JGHHEEBLBPPPTA-RISCZKNCSA-N 0 1 328.372 3.104 20 5 EGBDMN C[C@H](NC[C@@H]1CN(c2ccccc2)C(=O)O1)c1ccc([N+](=O)[O-])cc1 ZINC000296864712 456055575 /nfs/dbraw/zinc/05/55/75/456055575.db2.gz ZCKRDQJSTSVJBB-SUMWQHHRSA-N 0 1 341.367 3.271 20 5 EGBDMN O=[N+]([O-])c1ccc(N2CC[C@@H](N3CCCC3)C2)c(Br)c1 ZINC000301431566 456113190 /nfs/dbraw/zinc/11/31/90/456113190.db2.gz VROJULUKKODEFP-GFCCVEGCSA-N 0 1 340.221 3.032 20 5 EGBDMN CCC[C@@H]1CN(c2ncccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000302004302 456267998 /nfs/dbraw/zinc/26/79/98/456267998.db2.gz KEKYIWSSHJVUAI-QGZVFWFLSA-N 0 1 340.427 3.481 20 5 EGBDMN CCOCCOCCN(C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000276116369 456391822 /nfs/dbraw/zinc/39/18/22/456391822.db2.gz ARLVIBRWRRYPGQ-UHFFFAOYSA-N 0 1 348.399 3.340 20 5 EGBDMN Cc1[nH]ncc1CNC(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C ZINC000343319636 456528083 /nfs/dbraw/zinc/52/80/83/456528083.db2.gz KWRKOPDFXRYOAX-UHFFFAOYSA-N 0 1 348.428 3.304 20 5 EGBDMN COc1cccc([C@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000298879501 456561469 /nfs/dbraw/zinc/56/14/69/456561469.db2.gz NMUYWURZMIWSSM-QWHCGFSZSA-N 0 1 343.383 3.281 20 5 EGBDMN C[C@@]1(CNCc2ccc([N+](=O)[O-])cc2F)OCCc2sccc21 ZINC000353228947 456574694 /nfs/dbraw/zinc/57/46/94/456574694.db2.gz QIGUFRCGSATAHC-INIZCTEOSA-N 0 1 336.388 3.373 20 5 EGBDMN CC(C)n1cnnc1[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283088621 456708451 /nfs/dbraw/zinc/70/84/51/456708451.db2.gz LCWXSGTXMWPWLP-CQSZACIVSA-N 0 1 347.394 3.286 20 5 EGBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1F ZINC000283272423 456750128 /nfs/dbraw/zinc/75/01/28/456750128.db2.gz WSGHOQBZVLGEOC-CYBMUJFWSA-N 0 1 345.378 3.109 20 5 EGBDMN CCN1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@@H](C)C1 ZINC000339192952 456985931 /nfs/dbraw/zinc/98/59/31/456985931.db2.gz ZJVOJGWIFQDRKW-NSHDSACASA-N 0 1 331.338 3.140 20 5 EGBDMN C[C@]1(O)CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000354026229 457018545 /nfs/dbraw/zinc/01/85/45/457018545.db2.gz PRDMFTXSQVDWPC-SFHVURJKSA-N 0 1 346.358 3.483 20 5 EGBDMN COc1ccc(CNCc2ccc(OC)c(OC)c2C)cc1[N+](=O)[O-] ZINC000342019321 457061933 /nfs/dbraw/zinc/06/19/33/457061933.db2.gz GXKIWBAQERXLAD-UHFFFAOYSA-N 0 1 346.383 3.219 20 5 EGBDMN CC[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1cc(F)ccc1F ZINC000356576439 457064684 /nfs/dbraw/zinc/06/46/84/457064684.db2.gz LHOWTHQHAIFANJ-HNNXBMFYSA-N 0 1 336.294 3.460 20 5 EGBDMN C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356765939 457158008 /nfs/dbraw/zinc/15/80/08/457158008.db2.gz JJNMZDHICCNKFH-BMLIUANNSA-N 0 1 344.342 3.493 20 5 EGBDMN Cn1cnc([N+](=O)[O-])c1CN[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000342245152 457188952 /nfs/dbraw/zinc/18/89/52/457188952.db2.gz PRZMEZCKDYSCKS-MRXNPFEDSA-N 0 1 332.379 3.489 20 5 EGBDMN Cc1c(NC(=O)[C@@H](C)N2CC[C@H](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000339686565 457213302 /nfs/dbraw/zinc/21/33/02/457213302.db2.gz NRGCTESAXKPDMU-UKRRQHHQSA-N 0 1 331.416 3.352 20 5 EGBDMN Cc1c(NC(=O)[C@@H](C)N2CC[C@@H](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000339686555 457213342 /nfs/dbraw/zinc/21/33/42/457213342.db2.gz NRGCTESAXKPDMU-HIFRSBDPSA-N 0 1 331.416 3.352 20 5 EGBDMN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2n[nH]c(C)c2[N+](=O)[O-])o1 ZINC000331604654 457215272 /nfs/dbraw/zinc/21/52/72/457215272.db2.gz LVMPQVKMUMZLNL-MFKMUULPSA-N 0 1 346.387 3.395 20 5 EGBDMN COc1nc(C)cc(C)c1CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000347174117 457270899 /nfs/dbraw/zinc/27/08/99/457270899.db2.gz BVDBJFJADJPVOP-UHFFFAOYSA-N 0 1 329.400 3.290 20 5 EGBDMN Cc1[nH]nc(C(=O)N(C)Cc2csc3ccccc23)c1[N+](=O)[O-] ZINC000354650844 457298182 /nfs/dbraw/zinc/29/81/82/457298182.db2.gz BVJFMMUYTGCSSC-UHFFFAOYSA-N 0 1 330.369 3.113 20 5 EGBDMN C[C@H](N[C@H](CC(=O)N(C)C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000360580491 457320640 /nfs/dbraw/zinc/32/06/40/457320640.db2.gz MOFGCWMKIZSBCL-KBXCAEBGSA-N 0 1 341.411 3.465 20 5 EGBDMN CC(C)[C@H](C(=O)c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000357102293 457323720 /nfs/dbraw/zinc/32/37/20/457323720.db2.gz BUOWBNJULCWCKJ-QGZVFWFLSA-N 0 1 347.392 3.276 20 5 EGBDMN Cc1csc([C@H]2CCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)n1 ZINC000332289140 457342261 /nfs/dbraw/zinc/34/22/61/457342261.db2.gz JECWYJQICCAMDK-NSHDSACASA-N 0 1 347.396 3.085 20 5 EGBDMN Cn1nccc1[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000332343494 457353659 /nfs/dbraw/zinc/35/36/59/457353659.db2.gz PHRCCONOJFHCEH-CYBMUJFWSA-N 0 1 334.807 3.361 20 5 EGBDMN CC(=O)Nc1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)ccc1Cl ZINC000356383723 457597371 /nfs/dbraw/zinc/59/73/71/457597371.db2.gz CIXWQHPOUQBYOT-UHFFFAOYSA-N 0 1 349.730 3.165 20 5 EGBDMN CCc1cnccc1[C@@H](C)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000361134612 457604547 /nfs/dbraw/zinc/60/45/47/457604547.db2.gz HJMXDGGBSGVYHF-CHWSQXEVSA-N 0 1 342.399 3.230 20 5 EGBDMN Cc1c([C@@H](C)N[C@@H]2CC(=O)N(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000357798066 457693990 /nfs/dbraw/zinc/69/39/90/457693990.db2.gz SIZXCICHFLJMAC-HUUCEWRRSA-N 0 1 339.395 3.359 20 5 EGBDMN C[C@@H](NCc1cc2ccccc2n(C)c1=O)c1ccc([N+](=O)[O-])cc1 ZINC000426295510 457801784 /nfs/dbraw/zinc/80/17/84/457801784.db2.gz ZAZUSNABUYOSSP-CYBMUJFWSA-N 0 1 337.379 3.298 20 5 EGBDMN O=[N+]([O-])c1ccccc1/C=C/CN(CCO)Cc1cccc(F)c1 ZINC000426382221 457818027 /nfs/dbraw/zinc/81/80/27/457818027.db2.gz PZVWRYUNBYNKML-QPJJXVBHSA-N 0 1 330.359 3.242 20 5 EGBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2Cc2ccccc2C)c1[N+](=O)[O-] ZINC000444228188 457869918 /nfs/dbraw/zinc/86/99/18/457869918.db2.gz WMVXIWPFBIMQDG-CQSZACIVSA-N 0 1 342.399 3.036 20 5 EGBDMN COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000366647560 457874626 /nfs/dbraw/zinc/87/46/26/457874626.db2.gz SUYCBGMYWKZZKA-GOEBONIOSA-N 0 1 346.383 3.285 20 5 EGBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000366647560 457874635 /nfs/dbraw/zinc/87/46/35/457874635.db2.gz SUYCBGMYWKZZKA-GOEBONIOSA-N 0 1 346.383 3.285 20 5 EGBDMN Cc1[nH]ncc1C1CCN(C(=O)C=Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000375836840 458087648 /nfs/dbraw/zinc/08/76/48/458087648.db2.gz FHPHRIMWAJQFKV-AATRIKPKSA-N 0 1 340.383 3.046 20 5 EGBDMN O=C(CN1CCCC2(CCCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000445857824 458102191 /nfs/dbraw/zinc/10/21/91/458102191.db2.gz QNQBUONTDCLESJ-UHFFFAOYSA-N 0 1 343.427 3.140 20 5 EGBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC(c2cn[nH]c2)CC1 ZINC000375883913 458107693 /nfs/dbraw/zinc/10/76/93/458107693.db2.gz UIUJEGSYHMTBMJ-UHFFFAOYSA-N 0 1 330.388 3.096 20 5 EGBDMN CSc1cccc(C(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)c1[N+](=O)[O-] ZINC000362403008 458157027 /nfs/dbraw/zinc/15/70/27/458157027.db2.gz OCEOWTUWSYVJDE-VIFPVBQESA-N 0 1 349.416 3.049 20 5 EGBDMN O=[N+]([O-])c1ccc(NC[C@@H]2CSCCN2Cc2ccccc2)nc1 ZINC000428675604 458190337 /nfs/dbraw/zinc/19/03/37/458190337.db2.gz WICAJXLSEVUQNC-MRXNPFEDSA-N 0 1 344.440 3.019 20 5 EGBDMN COc1ccc(CNCCF)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000437261003 458440055 /nfs/dbraw/zinc/44/00/55/458440055.db2.gz VFTWKLNOUIYFIO-UHFFFAOYSA-N 0 1 334.347 3.242 20 5 EGBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470147448 458616629 /nfs/dbraw/zinc/61/66/29/458616629.db2.gz FFDCUDUMDRYNAZ-UHFFFAOYSA-N 0 1 349.366 3.418 20 5 EGBDMN NC1(c2noc([C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)n2)CCCCC1 ZINC000424349027 458623746 /nfs/dbraw/zinc/62/37/46/458623746.db2.gz QEFVAGNQOMDHDD-UONOGXRCSA-N 0 1 328.372 3.367 20 5 EGBDMN O=C(N[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000456886305 458811039 /nfs/dbraw/zinc/81/10/39/458811039.db2.gz YANQJNDPQHRYTK-DGCLKSJQSA-N 0 1 348.790 3.428 20 5 EGBDMN O=C1[C@@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])CCN1C1CCCCC1 ZINC000594500397 459063469 /nfs/dbraw/zinc/06/34/69/459063469.db2.gz SIVXWHSDIATYSQ-SJORKVTESA-N 0 1 343.427 3.105 20 5 EGBDMN Cc1ccc(CNC(C)(C)C(=O)NCC2CCCCC2)cc1[N+](=O)[O-] ZINC000532702967 459131143 /nfs/dbraw/zinc/13/11/43/459131143.db2.gz GIRJMDXHGFGUSS-UHFFFAOYSA-N 0 1 347.459 3.468 20 5 EGBDMN Cc1c(CN[C@H](c2cccnc2)C(C)(C)CO)cccc1[N+](=O)[O-] ZINC000590601092 459157392 /nfs/dbraw/zinc/15/73/92/459157392.db2.gz OGROJJPEDWHAES-QGZVFWFLSA-N 0 1 329.400 3.148 20 5 EGBDMN CCN1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C[C@H]1C ZINC000590635347 459167837 /nfs/dbraw/zinc/16/78/37/459167837.db2.gz FKJVIBQCPLDKNF-GFCCVEGCSA-N 0 1 332.429 3.249 20 5 EGBDMN CCCc1cc(C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000590775019 459212683 /nfs/dbraw/zinc/21/26/83/459212683.db2.gz KHXVFGIHFKHYKG-AWEZNQCLSA-N 0 1 342.399 3.290 20 5 EGBDMN Cc1oc(C(=O)[O-])cc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000568060663 459218332 /nfs/dbraw/zinc/21/83/32/459218332.db2.gz JSDNOEWOFPAYTA-UHFFFAOYSA-N 0 1 330.340 3.359 20 5 EGBDMN Cc1oc(C(=O)[O-])cc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000568060663 459218336 /nfs/dbraw/zinc/21/83/36/459218336.db2.gz JSDNOEWOFPAYTA-UHFFFAOYSA-N 0 1 330.340 3.359 20 5 EGBDMN O=C(CN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)NC1CCCC1 ZINC000591348321 459358135 /nfs/dbraw/zinc/35/81/35/459358135.db2.gz QYARAKASDVIQTC-QGZVFWFLSA-N 0 1 331.416 3.011 20 5 EGBDMN Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000583266031 459511379 /nfs/dbraw/zinc/51/13/79/459511379.db2.gz ZJISVMLEBSTPOG-KGLIPLIRSA-N 0 1 347.415 3.053 20 5 EGBDMN CCC[C@@H](C)[C@H]1CCCN1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000486789046 459519747 /nfs/dbraw/zinc/51/97/47/459519747.db2.gz QGMDQEFPFPDCSN-CZUORRHYSA-N 0 1 349.431 3.443 20 5 EGBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CNC(C)(C)c1cccs1 ZINC000542573885 459572791 /nfs/dbraw/zinc/57/27/91/459572791.db2.gz WDVWSMUGDWRAPE-UHFFFAOYSA-N 0 1 349.412 3.128 20 5 EGBDMN C[C@@H]1CCCC[N@H+]1CCCCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000592969472 459725431 /nfs/dbraw/zinc/72/54/31/459725431.db2.gz SEGQLRGHMBDLAX-CQSZACIVSA-N 0 1 349.431 3.288 20 5 EGBDMN Cc1cc(NCC[N@H+](C)Cc2ccccc2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000563205263 459737436 /nfs/dbraw/zinc/73/74/36/459737436.db2.gz BRJFFEADOUJMCA-UHFFFAOYSA-N 0 1 343.383 3.145 20 5 EGBDMN O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602249793 459877327 /nfs/dbraw/zinc/87/73/27/459877327.db2.gz MMGFGPNYFZSZTN-CQSZACIVSA-N 0 1 343.358 3.195 20 5 EGBDMN C[C@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@]1(C)CO ZINC000597236311 459888772 /nfs/dbraw/zinc/88/87/72/459888772.db2.gz PRJZWRWPCAGTCS-SJCJKPOMSA-N 0 1 347.440 3.169 20 5 EGBDMN Cc1[nH]nc(C(=O)N2CCCC[C@@H]2Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000609187414 459920111 /nfs/dbraw/zinc/92/01/11/459920111.db2.gz KCSUPBKNSFKXBG-CQSZACIVSA-N 0 1 346.362 3.003 20 5 EGBDMN CCN(Cc1cc(Br)c([N+](=O)[O-])s1)C[C@H]1CCOC1 ZINC000602443321 459940848 /nfs/dbraw/zinc/94/08/48/459940848.db2.gz IYBDSGBXMYBZCM-SECBINFHSA-N 0 1 349.250 3.277 20 5 EGBDMN COC[C@@H]1CCCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602469349 459952373 /nfs/dbraw/zinc/95/23/73/459952373.db2.gz UFFUSFRVWINTTG-LLVKDONJSA-N 0 1 332.322 3.472 20 5 EGBDMN C[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000593746984 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Cc1noc(C(F)F)c1C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000610653834 460205878 /nfs/dbraw/zinc/20/58/78/460205878.db2.gz JJRFODLJPHJZEV-UHFFFAOYSA-N 0 1 348.265 3.051 20 5 EGBDMN O=[N+]([O-])c1ccc(O)cc1CN[C@@H](Cn1cccn1)c1ccccc1 ZINC000610787889 460236985 /nfs/dbraw/zinc/23/69/85/460236985.db2.gz GPTSNSGFKRRBIH-KRWDZBQOSA-N 0 1 338.367 3.028 20 5 EGBDMN CCC(O)(CC)CN(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599673053 460305384 /nfs/dbraw/zinc/30/53/84/460305384.db2.gz IRPTXPOPYPYZJY-UHFFFAOYSA-N 0 1 333.388 3.233 20 5 EGBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)c(F)c1 ZINC000603979470 460367033 /nfs/dbraw/zinc/36/70/33/460367033.db2.gz BMSGTJRXZYPOLM-UHFFFAOYSA-N 0 1 344.751 3.497 20 5 EGBDMN O=[N+]([O-])c1ccc(CNCCN2CCCc3ccccc32)c(F)c1 ZINC000611497724 460378289 /nfs/dbraw/zinc/37/82/89/460378289.db2.gz CMRVHPYOHKHTES-UHFFFAOYSA-N 0 1 329.375 3.276 20 5 EGBDMN CCCC(=O)NC1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000611515335 460384104 /nfs/dbraw/zinc/38/41/04/460384104.db2.gz JTCIKXVUIUGAPS-CQSZACIVSA-N 0 1 333.432 3.345 20 5 EGBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1cccc(N2CCC2=O)c1 ZINC000619673999 460408932 /nfs/dbraw/zinc/40/89/32/460408932.db2.gz VUWAYKGRBMEZKK-AWEZNQCLSA-N 0 1 339.395 3.491 20 5 EGBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1ccsc1 ZINC000619746376 460428264 /nfs/dbraw/zinc/42/82/64/460428264.db2.gz QVBNXCGSJXDUCL-GHMZBOCLSA-N 0 1 349.412 3.343 20 5 EGBDMN Cc1ncc([C@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000601936370 460950697 /nfs/dbraw/zinc/95/06/97/460950697.db2.gz SNLMGNPKGBWFOV-VHSXEESVSA-N 0 1 334.401 3.038 20 5 EGBDMN CN(C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000531068405 517915673 /nfs/dbraw/zinc/91/56/73/517915673.db2.gz ZSQZECOFBIXALC-MRXNPFEDSA-N 0 1 347.802 3.281 20 5 EGBDMN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000032761958 526493481 /nfs/dbraw/zinc/49/34/81/526493481.db2.gz VWYVUWUUFNQUFT-HNNXBMFYSA-N 0 1 345.424 3.223 20 5 EGBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](C)C[C@@H]2c2ccc(C)o2)c1[N+](=O)[O-] ZINC000185764802 536001645 /nfs/dbraw/zinc/00/16/45/536001645.db2.gz XFQSCEGUIJUJIA-ZWNOBZJWSA-N 0 1 346.387 3.395 20 5 EGBDMN CCc1[nH]nc(C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000172377593 536002618 /nfs/dbraw/zinc/00/26/18/536002618.db2.gz MMDCJAUNYNEMRX-JQWIXIFHSA-N 0 1 346.362 3.038 20 5 EGBDMN C[NH+](C)Cc1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1Cl ZINC000357964041 536016649 /nfs/dbraw/zinc/01/66/49/536016649.db2.gz IVCVKPKMSNSIED-UHFFFAOYSA-N 0 1 349.774 3.268 20 5 EGBDMN CC[C@H]1CCCC[N@H+]1CCNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000736939934 576062908 /nfs/dbraw/zinc/06/29/08/576062908.db2.gz DILBDPPGNIWOEN-HEWZJLJBSA-N 0 1 347.415 3.369 20 5 EGBDMN C[C@@H](Oc1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1)C(=O)[O-] ZINC000833538729 604535084 /nfs/dbraw/zinc/53/50/84/604535084.db2.gz VFZIRDRUXQCOBX-CYBMUJFWSA-N 0 1 344.367 3.079 20 5 EGBDMN C[C@@H](Oc1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1)C(=O)[O-] ZINC000833538729 604535086 /nfs/dbraw/zinc/53/50/86/604535086.db2.gz VFZIRDRUXQCOBX-CYBMUJFWSA-N 0 1 344.367 3.079 20 5 EGBDMN C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@H]1C(=O)[O-] ZINC000833630067 604665692 /nfs/dbraw/zinc/66/56/92/604665692.db2.gz PHLYZFPCLXTKJV-XHDPSFHLSA-N 0 1 346.408 3.476 20 5 EGBDMN O=C([O-])[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000833194056 604783447 /nfs/dbraw/zinc/78/34/47/604783447.db2.gz ZUTUQQKEONEKFD-INIZCTEOSA-N 0 1 346.770 3.260 20 5 EGBDMN O=C([O-])[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000833194056 604783451 /nfs/dbraw/zinc/78/34/51/604783451.db2.gz ZUTUQQKEONEKFD-INIZCTEOSA-N 0 1 346.770 3.260 20 5 EGBDMN O=C([O-])CCC1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000833225922 604788779 /nfs/dbraw/zinc/78/87/79/604788779.db2.gz TZRKLWQOCRYMQE-UHFFFAOYSA-N 0 1 326.780 3.325 20 5 EGBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000830584703 1292737165 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EGBDMN CO[C@@H]1C[C@@H](NCc2cccc([N+](=O)[O-])c2Br)C1(C)C ZINC000234844197 1296180033 /nfs/dbraw/zinc/18/00/33/1296180033.db2.gz MFMLUNXEKKFNGL-VXGBXAGGSA-N 0 1 343.221 3.260 20 5 EGBDMN CCN(CC)c1ccc(CNCc2cccc([N+](=O)[O-])c2C)cn1 ZINC000873015989 1297225190 /nfs/dbraw/zinc/22/51/90/1297225190.db2.gz BHUIHZUFAVWPDG-UHFFFAOYSA-N 0 1 328.416 3.434 20 5 EGBDMN Cc1ccc([N+](=O)[O-])c(C)c1CNCc1cnn(CC(F)(F)F)c1 ZINC000873080861 1297264331 /nfs/dbraw/zinc/26/43/31/1297264331.db2.gz VHKRNFQRRYVVPT-UHFFFAOYSA-N 0 1 342.321 3.260 20 5 EGBDMN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H](O)c3ccco3)o2)cc1 ZINC000747099155 1298726396 /nfs/dbraw/zinc/72/63/96/1298726396.db2.gz UMYRTHPTWFQXDZ-OAHLLOKOSA-N 0 1 328.324 3.271 20 5 EGBDMN Cc1c(CN2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000749807524 1299276148 /nfs/dbraw/zinc/27/61/48/1299276148.db2.gz VQJCXQUQTBJSTH-OAHLLOKOSA-N 0 1 349.431 3.344 20 5 EGBDMN COC(=O)CC[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000877818823 1299580749 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EGBDMN O=C(O[C@H]1CCCc2nc(-c3ccccc3)sc21)[C@@H]1CC1[N+](=O)[O-] ZINC000841130937 1321223504 /nfs/dbraw/zinc/22/35/04/1321223504.db2.gz XJUSEGBOIPXMKY-BNOWGMLFSA-N 0 1 344.392 3.396 20 5 EGBDMN CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000842471343 1321392726 /nfs/dbraw/zinc/39/27/26/1321392726.db2.gz GIHZWZBSVPJJKW-CYBMUJFWSA-N 0 1 336.388 3.070 20 5 EGBDMN Cc1c(-c2nc([C@H](N)CC(C)C)no2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000842585372 1321404556 /nfs/dbraw/zinc/40/45/56/1321404556.db2.gz AZXJKHUJWMOBBI-LLVKDONJSA-N 0 1 349.347 3.216 20 5 EGBDMN CC(C)[C@H](N)c1noc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000843149367 1321478726 /nfs/dbraw/zinc/47/87/26/1321478726.db2.gz DCMLCRGNYSXJCG-LBPRGKRZSA-N 0 1 345.384 3.424 20 5 EGBDMN CSc1cccc(C(=O)OC[C@H]2CCN2C(C)(C)C)c1[N+](=O)[O-] ZINC000845730488 1321737265 /nfs/dbraw/zinc/73/72/65/1321737265.db2.gz IKKLOOGFHFCHBD-LLVKDONJSA-N 0 1 338.429 3.346 20 5 EGBDMN CC(C)(C)N1CC[C@H]1COC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000845741230 1321740904 /nfs/dbraw/zinc/74/09/04/1321740904.db2.gz UPLAMHGVMJMJKZ-NSHDSACASA-N 0 1 326.780 3.278 20 5 EGBDMN O=C(CC[C@@H]1CC1(Cl)Cl)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000849876175 1322160957 /nfs/dbraw/zinc/16/09/57/1322160957.db2.gz OGRUAZMSBLLQSY-SECBINFHSA-N 0 1 334.155 3.318 20 5 EGBDMN O=[N+]([O-])c1cn(CN2CC[C@@H]3CCCC[C@@H]32)nc1-c1ccccn1 ZINC000853517731 1325112826 /nfs/dbraw/zinc/11/28/26/1325112826.db2.gz CMRRXTDTIHCNGR-ZFWWWQNUSA-N 0 1 327.388 3.075 20 5 EGBDMN O=[N+]([O-])c1cn(CN2CCC[C@@H]3CCCC[C@@H]32)nc1-c1ccccn1 ZINC000853634103 1325137490 /nfs/dbraw/zinc/13/74/90/1325137490.db2.gz LFOUUMGCWZVHPK-HOCLYGCPSA-N 0 1 341.415 3.465 20 5 EGBDMN COc1cc(NCc2ccc3nc[nH]c3c2)c([N+](=O)[O-])cc1OC ZINC000864019742 1329594036 /nfs/dbraw/zinc/59/40/36/1329594036.db2.gz OVMXHJILRCIOPZ-UHFFFAOYSA-N 0 1 328.328 3.100 20 5 EGBDMN COCC(C)(C)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865890208 1329749257 /nfs/dbraw/zinc/74/92/57/1329749257.db2.gz SJYFSASRYRSNBP-UHFFFAOYSA-N 0 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ZINC000548117318 314974374 /nfs/dbraw/zinc/97/43/74/314974374.db2.gz LSLKHGAMNZBLRX-QGZVFWFLSA-N 0 1 326.352 3.450 20 5 EGBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000565510909 316332755 /nfs/dbraw/zinc/33/27/55/316332755.db2.gz KFTIOKSLCNCBRC-KBPBESRZSA-N 0 1 348.447 3.399 20 5 EGBDMN COC(=O)c1ccc(CNC/C(C)=C\c2cccc([N+](=O)[O-])c2)o1 ZINC000568642829 316803126 /nfs/dbraw/zinc/80/31/26/316803126.db2.gz CKQLDNJXUZNCGX-WQLSENKSSA-N 0 1 330.340 3.168 20 5 EGBDMN C[C@@H](NCc1csc([N+](=O)[O-])c1)[C@@H](C)NC(=O)OC(C)(C)C ZINC000381711550 324247393 /nfs/dbraw/zinc/24/73/93/324247393.db2.gz IOCYPQDDEFXODP-NXEZZACHSA-N 0 1 329.422 3.048 20 5 EGBDMN O=[N+]([O-])c1ccccc1N1CCN(CCCc2ccsc2)CC1 ZINC000580249044 325222238 /nfs/dbraw/zinc/22/22/38/325222238.db2.gz QOVDYXDDDGASGE-UHFFFAOYSA-N 0 1 331.441 3.411 20 5 EGBDMN O=[N+]([O-])c1ccccc1OCCN1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000612174813 460561263 /nfs/dbraw/zinc/56/12/63/460561263.db2.gz YKXSTKZFUGKKOD-MRXNPFEDSA-N 0 1 346.358 3.266 20 5 EGBDMN O=C([O-])c1ccc(F)c2c1C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000600675674 460565009 /nfs/dbraw/zinc/56/50/09/460565009.db2.gz VPXJUBWEWPJQAM-UHFFFAOYSA-N 0 1 344.342 3.033 20 5 EGBDMN CN(C(=O)CN1CCC[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000010340852 453287131 /nfs/dbraw/zinc/28/71/31/453287131.db2.gz QSGVHFGNPADUMR-SFHVURJKSA-N 0 1 339.395 3.395 20 5 EGBDMN C[C@H]1CN(CCCNc2ccc([N+](=O)[O-])c3cccnc23)C[C@H](C)O1 ZINC000024201613 453727959 /nfs/dbraw/zinc/72/79/59/453727959.db2.gz ZTZJTLFJLPONGL-KBPBESRZSA-N 0 1 344.415 3.054 20 5 EGBDMN COc1ccc(C)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000031555886 453849053 /nfs/dbraw/zinc/84/90/53/453849053.db2.gz LTKQZXSOMNHROH-UHFFFAOYSA-N 0 1 336.369 3.021 20 5 EGBDMN Cc1ccc(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc1[N+](=O)[O-] ZINC000032246002 453866579 /nfs/dbraw/zinc/86/65/79/453866579.db2.gz WHLMRNMBFSKYDJ-QGZVFWFLSA-N 0 1 345.374 3.075 20 5 EGBDMN O=C(N[C@@H](CN1CCCCC1)c1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC000075631015 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CC[C@@H](CSC)N(C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000091099684 454384623 /nfs/dbraw/zinc/38/46/23/454384623.db2.gz RFWKMIHMHYFQEK-LBPRGKRZSA-N 0 1 336.417 3.218 20 5 EGBDMN CC(C)CN1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000097007476 454386559 /nfs/dbraw/zinc/38/65/59/454386559.db2.gz OHDNILRBXWKJIL-UHFFFAOYSA-N 0 1 347.459 3.306 20 5 EGBDMN O=[N+]([O-])c1ccc(CCSc2nc(-c3cccnc3)n[nH]2)cc1 ZINC000102829638 454522405 /nfs/dbraw/zinc/52/24/05/454522405.db2.gz LRONWXXUSGWPTA-UHFFFAOYSA-N 0 1 327.369 3.110 20 5 EGBDMN CC[C@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000074283156 454555316 /nfs/dbraw/zinc/55/53/16/454555316.db2.gz OUOMNYCZLCZEOC-ZFWWWQNUSA-N 0 1 342.399 3.282 20 5 EGBDMN COc1cc(CN2CC[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000092471401 454571996 /nfs/dbraw/zinc/57/19/96/454571996.db2.gz UMFUZQHHPZTKHI-JTQLQIEISA-N 0 1 348.321 3.386 20 5 EGBDMN CC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1C ZINC000134776459 454587188 /nfs/dbraw/zinc/58/71/88/454587188.db2.gz KQLOFPWABUBNCR-UHFFFAOYSA-N 0 1 348.380 3.215 20 5 EGBDMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000092587877 454591446 /nfs/dbraw/zinc/59/14/46/454591446.db2.gz UQCKBBJUKRGJHQ-HZPDHXFCSA-N 0 1 347.459 3.387 20 5 EGBDMN Cc1[nH]nc(C(=O)N(C)[C@@H]2CCC[C@H]2c2ccc(C)cc2)c1[N+](=O)[O-] ZINC000080773124 454632729 /nfs/dbraw/zinc/63/27/29/454632729.db2.gz QGZQOWKNFGVFAJ-LSDHHAIUSA-N 0 1 342.399 3.343 20 5 EGBDMN COc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000124354568 454723298 /nfs/dbraw/zinc/72/32/98/454723298.db2.gz XHKGKQSNQCJAIP-UHFFFAOYSA-N 0 1 342.760 3.058 20 5 EGBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000176523550 454755222 /nfs/dbraw/zinc/75/52/22/454755222.db2.gz PPBFZGAHBUNOKD-GXTWGEPZSA-N 0 1 342.399 3.289 20 5 EGBDMN Cc1cccc(C(=O)NCc2ccc(CN(C)C)c(F)c2)c1[N+](=O)[O-] ZINC000154649847 454915770 /nfs/dbraw/zinc/91/57/70/454915770.db2.gz YQWONUBOSONLBK-UHFFFAOYSA-N 0 1 345.374 3.034 20 5 EGBDMN C[S@@](=O)C[C@@H](NC/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000154710783 454921762 /nfs/dbraw/zinc/92/17/62/454921762.db2.gz XHOVSHLPHOTYNZ-VDNBDFHQSA-N 0 1 344.436 3.317 20 5 EGBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H]1c1ccc(Cl)cc1 ZINC000179194201 455018350 /nfs/dbraw/zinc/01/83/50/455018350.db2.gz NTYWSJMSGOELOD-INIZCTEOSA-N 0 1 347.802 3.247 20 5 EGBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc2[nH]ccc21 ZINC000171180539 455042118 /nfs/dbraw/zinc/04/21/18/455042118.db2.gz QXRFZSXUNNFXHQ-UHFFFAOYSA-N 0 1 331.353 3.185 20 5 EGBDMN COC(=O)[C@H](C)CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000116391036 455054309 /nfs/dbraw/zinc/05/43/09/455054309.db2.gz PZGRKHBFMNQJDB-SNVBAGLBSA-N 0 1 326.780 3.022 20 5 EGBDMN Cc1ccc(N2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000179598799 455060936 /nfs/dbraw/zinc/06/09/36/455060936.db2.gz SYHBFRUCVOOKKT-ZDUSSCGKSA-N 0 1 327.388 3.283 20 5 EGBDMN Cc1ccc(N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c([N+](=O)[O-])c1 ZINC000179598799 455060941 /nfs/dbraw/zinc/06/09/41/455060941.db2.gz SYHBFRUCVOOKKT-ZDUSSCGKSA-N 0 1 327.388 3.283 20 5 EGBDMN C[C@H](NCC(=O)N1c2ccccc2C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000180427064 455168329 /nfs/dbraw/zinc/16/83/29/455168329.db2.gz PCDHJYPZUXPHIF-KGLIPLIRSA-N 0 1 339.395 3.223 20 5 EGBDMN C[C@@H](NC[C@@H]1CN(c2ccccc2)C(=O)O1)c1cccc([N+](=O)[O-])c1 ZINC000180454712 455172525 /nfs/dbraw/zinc/17/25/25/455172525.db2.gz AYFDYONPOYWNLR-CXAGYDPISA-N 0 1 341.367 3.271 20 5 EGBDMN C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H]2CCCC[C@@H]21 ZINC000180566435 455198084 /nfs/dbraw/zinc/19/80/84/455198084.db2.gz BLHFECSMEZAGDN-IXPVHAAZSA-N 0 1 328.372 3.122 20 5 EGBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000172950482 455212771 /nfs/dbraw/zinc/21/27/71/455212771.db2.gz NDDNBCGREREYFA-HONMWMINSA-N 0 1 328.372 3.294 20 5 EGBDMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@](C)(O)c1ccsc1 ZINC000265905262 455402494 /nfs/dbraw/zinc/40/24/94/455402494.db2.gz WJHKLWHQFHIHHQ-MRXNPFEDSA-N 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455718405 /nfs/dbraw/zinc/71/84/05/455718405.db2.gz SZDOTEVVINYIGI-ONGXEEELSA-N 0 1 331.376 3.026 20 5 EGBDMN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1n[nH]c2ccccc21 ZINC000186305562 455738705 /nfs/dbraw/zinc/73/87/05/455738705.db2.gz VAPVDBPPKUBCBC-UHFFFAOYSA-N 0 1 330.731 3.055 20 5 EGBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H](CO)c1ccc(F)cc1)CCC2 ZINC000278160340 455773622 /nfs/dbraw/zinc/77/36/22/455773622.db2.gz AVCNPDQYPWPYGH-MSOLQXFVSA-N 0 1 330.359 3.435 20 5 EGBDMN CC[C@H](C)c1nc([C@@H](C)N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)n[nH]1 ZINC000284998092 455775177 /nfs/dbraw/zinc/77/51/77/455775177.db2.gz GSEFLIXDBMKLFA-GARJFASQSA-N 0 1 332.408 3.220 20 5 EGBDMN CC[C@](C)(NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000269293352 455829519 /nfs/dbraw/zinc/82/95/19/455829519.db2.gz QPCPUBNKCIPXGZ-HNNXBMFYSA-N 0 1 335.385 3.121 20 5 EGBDMN C[C@@H](NCc1ccnc(C(F)(F)F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296590441 455981887 /nfs/dbraw/zinc/98/18/87/455981887.db2.gz UXYVAYZNARVWTO-SECBINFHSA-N 0 1 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20 5 EGBDMN COc1ccc(C[C@H](C)COC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1F ZINC000756157982 1300446010 /nfs/dbraw/zinc/44/60/10/1300446010.db2.gz CIPSUPHDZLAOFL-JTQLQIEISA-N 0 1 336.319 3.106 20 5 EGBDMN Cc1ccc([C@@H]2C[C@H](OC(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)cc1 ZINC000757517767 1300681137 /nfs/dbraw/zinc/68/11/37/1300681137.db2.gz ZEXBNFHJVUSWFH-HIFRSBDPSA-N 0 1 330.340 3.308 20 5 EGBDMN CCn1c(C)nc([N+](=O)[O-])c1N1CCN([C@H](C)c2ccccc2)CC1 ZINC000882810290 1302113425 /nfs/dbraw/zinc/11/34/25/1302113425.db2.gz CNWNVJGCZMGBGS-CQSZACIVSA-N 0 1 343.431 3.003 20 5 EGBDMN Cc1nn(C[N@H+]2CC[C@H](c3ccco3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000764990724 1302181668 /nfs/dbraw/zinc/18/16/68/1302181668.db2.gz ZZDZBNRIDJHBMC-ZDUSSCGKSA-N 0 1 326.356 3.293 20 5 EGBDMN CN(Cc1ccn(-c2ccccc2)n1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000768917923 1303011796 /nfs/dbraw/zinc/01/17/96/1303011796.db2.gz BYWGJKDUUSARDB-UHFFFAOYSA-N 0 1 338.367 3.118 20 5 EGBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000769245029 1303079981 /nfs/dbraw/zinc/07/99/81/1303079981.db2.gz PWCNECTXVCNTLV-MOPGFXCFSA-N 0 1 342.395 3.389 20 5 EGBDMN O=C(Nc1ccccc1-c1nnc[nH]1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000770830065 1303319651 /nfs/dbraw/zinc/31/96/51/1303319651.db2.gz KQAJFCPNVUSOOB-UHFFFAOYSA-N 0 1 343.730 3.286 20 5 EGBDMN CN(C)c1cccc([C@H]2CCCN2Cc2cccnc2[N+](=O)[O-])c1 ZINC000886021630 1303322295 /nfs/dbraw/zinc/32/22/95/1303322295.db2.gz ZGPATMHAGZVTBV-QGZVFWFLSA-N 0 1 326.400 3.393 20 5 EGBDMN CN(Cc1cccnc1[N+](=O)[O-])[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000886134508 1303367299 /nfs/dbraw/zinc/36/72/99/1303367299.db2.gz VEADXNHAXFCIEG-DLBZAZTESA-N 0 1 345.374 3.481 20 5 EGBDMN O=[N+]([O-])c1cc(-c2nc(-c3ccc(O)c(F)c3)no2)cc([N+](=O)[O-])c1 ZINC000771224555 1303377165 /nfs/dbraw/zinc/37/71/65/1303377165.db2.gz OROPMVYATCMMHH-UHFFFAOYSA-N 0 1 346.230 3.065 20 5 EGBDMN COc1cc(S(=O)(=O)Nc2ccc(C3CC3)cc2)ccc1[N+](=O)[O-] ZINC000771610903 1303425000 /nfs/dbraw/zinc/42/50/00/1303425000.db2.gz WKCKJZRFVOCXDG-UHFFFAOYSA-N 0 1 348.380 3.282 20 5 EGBDMN CCCCN(CCOC)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777955554 1304371897 /nfs/dbraw/zinc/37/18/97/1304371897.db2.gz OSRGBWKVZJZYGU-UHFFFAOYSA-N 0 1 332.404 3.164 20 5 EGBDMN C[C@](O)(CNCc1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1F ZINC000778089236 1304394922 /nfs/dbraw/zinc/39/49/22/1304394922.db2.gz VIWCTAYTQOIFFF-INIZCTEOSA-N 0 1 340.301 3.009 20 5 EGBDMN Cc1nc(C)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2Cl)s1 ZINC000788216058 1305898450 /nfs/dbraw/zinc/89/84/50/1305898450.db2.gz GBOKCQMYLDYOBZ-UHFFFAOYSA-N 0 1 347.805 3.122 20 5 EGBDMN CCC[C@H](C)[C@H]1CCCN1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794631867 1309560428 /nfs/dbraw/zinc/56/04/28/1309560428.db2.gz DZDJMHHRSNXWMC-QWHCGFSZSA-N 0 1 333.388 3.361 20 5 EGBDMN Cc1nc2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2s1 ZINC000799539630 1310569779 /nfs/dbraw/zinc/56/97/79/1310569779.db2.gz JAAQXSHQAPVNKN-UHFFFAOYSA-N 0 1 349.393 3.314 20 5 EGBDMN CN(CCc1cccc([N+](=O)[O-])c1)Cn1ccc(-c2nccs2)n1 ZINC000800866157 1310821141 /nfs/dbraw/zinc/82/11/41/1310821141.db2.gz UQZFZPWOWLMALF-UHFFFAOYSA-N 0 1 343.412 3.047 20 5 EGBDMN CC(C)[C@@H](C(=O)OCc1c(F)cc([N+](=O)[O-])cc1F)N1CCCC1 ZINC000803361747 1317113794 /nfs/dbraw/zinc/11/37/94/1317113794.db2.gz PFQXGSVDLJNNJQ-HNNXBMFYSA-N 0 1 342.342 3.037 20 5 EGBDMN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(CC2CCCCC2)CC1 ZINC000804387502 1317227132 /nfs/dbraw/zinc/22/71/32/1317227132.db2.gz CEQUQSHKDYSORS-UHFFFAOYSA-N 0 1 345.443 3.500 20 5 EGBDMN O=[N+]([O-])c1cc(CNC[C@H](O)c2ccc(C(F)(F)F)cc2)cs1 ZINC000808426008 1317675389 /nfs/dbraw/zinc/67/53/89/1317675389.db2.gz JLQAZVWHBLMPLV-LBPRGKRZSA-N 0 1 346.330 3.498 20 5 EGBDMN C[C@@H](N[C@@H](C)c1ccc2c(c1)OCC(=O)N2)c1ccc([N+](=O)[O-])cc1 ZINC000903287778 1317682910 /nfs/dbraw/zinc/68/29/10/1317682910.db2.gz PQLDSCDTTFRMFC-NEPJUHHUSA-N 0 1 341.367 3.338 20 5 EGBDMN C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@@H](C)CN1C ZINC000809970125 1317927571 /nfs/dbraw/zinc/92/75/71/1317927571.db2.gz ODAGNZSQDFSRIW-ZJUUUORDSA-N 0 1 332.231 3.426 20 5 EGBDMN Cc1ccc(S(=O)(=O)Nc2ccnc(Cl)c2C)cc1[N+](=O)[O-] ZINC000811836176 1318276705 /nfs/dbraw/zinc/27/67/05/1318276705.db2.gz HHJPUMSYLLBXCF-UHFFFAOYSA-N 0 1 341.776 3.061 20 5 EGBDMN Cc1nnc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])s1 ZINC000812829282 1318464418 /nfs/dbraw/zinc/46/44/18/1318464418.db2.gz QHKKDBLSAAMMOZ-UHFFFAOYSA-N 0 1 333.156 3.314 20 5 EGBDMN CCCCn1cc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c(C)n1 ZINC000815600178 1319023929 /nfs/dbraw/zinc/02/39/29/1319023929.db2.gz NJTORZNVTUVIIK-GFCCVEGCSA-N 0 1 331.420 3.333 20 5 EGBDMN C[C@H](N[C@@H]1CCOc2c(F)cccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815619669 1319030052 /nfs/dbraw/zinc/03/00/52/1319030052.db2.gz USZLEUSMVBXQMX-ZUZCIYMTSA-N 0 1 331.347 3.491 20 5 EGBDMN COc1cccc(Cl)c1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819262039 1319683216 /nfs/dbraw/zinc/68/32/16/1319683216.db2.gz PQPAHAHCZPIXQL-OAHLLOKOSA-N 0 1 336.775 3.080 20 5 EGBDMN COC(=O)CC1(NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCC1 ZINC000838918985 1320835275 /nfs/dbraw/zinc/83/52/75/1320835275.db2.gz YMMDCLPBDYGXJG-UHFFFAOYSA-N 0 1 347.198 3.477 20 5 EGBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000841147533 1321226463 /nfs/dbraw/zinc/22/64/63/1321226463.db2.gz JVWGHVWIJRFIFR-GMTAPVOTSA-N 0 1 336.697 3.067 20 5 EGBDMN CCSc1cccc(Br)c1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841237136 1321237616 /nfs/dbraw/zinc/23/76/16/1321237616.db2.gz ILSPOOIFKBENBR-VXNVDRBHSA-N 0 1 345.218 3.165 20 5 EGBDMN CC(C)(C)N1CC[C@@H]1COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000845738307 1321738851 /nfs/dbraw/zinc/73/88/51/1321738851.db2.gz DXDJSNULICTYLG-GFCCVEGCSA-N 0 1 326.780 3.278 20 5 EGBDMN CC[C@H](C(=O)O[C@@H](c1ccccc1F)[C@@H](C)[N+](=O)[O-])N(CC)CC ZINC000845873245 1321747130 /nfs/dbraw/zinc/74/71/30/1321747130.db2.gz CCLKFBDQAYNOKA-DAXOMENPSA-N 0 1 340.395 3.196 20 5 EGBDMN O=C(OCc1ccc(F)cc1Br)c1ccc([N+](=O)[O-])[nH]1 ZINC000920133866 1322142926 /nfs/dbraw/zinc/14/29/26/1322142926.db2.gz AEJOFEQREVRKFO-UHFFFAOYSA-N 0 1 343.108 3.182 20 5 EGBDMN COc1c(C)[nH]cc(CN(C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1=O ZINC000931325026 1329094548 /nfs/dbraw/zinc/09/45/48/1329094548.db2.gz OQVMJVZMZYNAJO-ZDUSSCGKSA-N 0 1 345.399 3.102 20 5 EGBDMN O=[N+]([O-])c1cn(CN2CC[C@@H](C3CCCC3)C2)nc1-c1ccccn1 ZINC000853517667 1325112876 /nfs/dbraw/zinc/11/28/76/1325112876.db2.gz AHYWUBKFNYBTHY-OAHLLOKOSA-N 0 1 341.415 3.323 20 5 EGBDMN O=[N+]([O-])c1cn(CN2CCC[C@@H]3CCCC[C@@H]32)nc1-c1ccncc1 ZINC000853634644 1325137671 /nfs/dbraw/zinc/13/76/71/1325137671.db2.gz XGXWMEGGIACMTR-HOCLYGCPSA-N 0 1 341.415 3.465 20 5 EGBDMN CC(C)c1nc(CNc2cccc(Br)c2[N+](=O)[O-])n[nH]1 ZINC000856761561 1325520441 /nfs/dbraw/zinc/52/04/41/1325520441.db2.gz PVIPOLANCAFHPK-UHFFFAOYSA-N 0 1 340.181 3.211 20 5 EGBDMN O=[N+]([O-])c1ccc(N2CCN(Cc3ccc4[nH]ccc4c3)CC2)cc1 ZINC000862212973 1329466369 /nfs/dbraw/zinc/46/63/69/1329466369.db2.gz YWSMKVWTHQUDEP-UHFFFAOYSA-N 0 1 336.395 3.398 20 5 EGBDMN Cc1nc([C@H]2CCN(c3c(Cl)c(Cl)ccc3[N+](=O)[O-])C2)n[nH]1 ZINC000865882325 1329748723 /nfs/dbraw/zinc/74/87/23/1329748723.db2.gz SSTFEMNIGVHYNJ-QMMMGPOBSA-N 0 1 342.186 3.322 20 5 EGBDMN Cc1nnc([C@H]2CCN(c3c(Cl)c(Cl)ccc3[N+](=O)[O-])C2)[nH]1 ZINC000865882325 1329748724 /nfs/dbraw/zinc/74/87/24/1329748724.db2.gz SSTFEMNIGVHYNJ-QMMMGPOBSA-N 0 1 342.186 3.322 20 5 EGBDMN CC1(NC(=O)C2CCCC2)CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001045344192 1346567169 /nfs/dbraw/zinc/56/71/69/1346567169.db2.gz RJIXVWBPQHCEMS-UHFFFAOYSA-N 0 1 345.443 3.256 20 5 EGBDMN O=[N+]([O-])c1cn(CN2CC[C@@H]3CCCC[C@@H]3C2)nc1-c1ccncc1 ZINC001323182545 1387308361 /nfs/dbraw/zinc/30/83/61/1387308361.db2.gz JKKBMHPRJFFKPS-GOEBONIOSA-N 0 1 341.415 3.323 20 5 EGBDMN O=[N+]([O-])c1ccc(SCc2nc([C@H]3CN4CCC3CC4)no2)cc1 ZINC001325470902 1387985456 /nfs/dbraw/zinc/98/54/56/1387985456.db2.gz STRVBBWBGLDAEL-AWEZNQCLSA-N 0 1 346.412 3.079 20 5 EGBDMN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1c[nH]c(C(F)(F)F)c1 ZINC001117647929 1371058166 /nfs/dbraw/zinc/05/81/66/1371058166.db2.gz RDBULCVRKILYFY-UHFFFAOYSA-N 0 1 349.290 3.051 20 5 EGBDMN Cc1ccc([N+](=O)[O-])cc1Nc1ccc(N2CCN(C)CC2)cc1 ZINC001211288385 1372521990 /nfs/dbraw/zinc/52/19/90/1372521990.db2.gz SVKAKAODIJOQBR-UHFFFAOYSA-N 0 1 326.400 3.399 20 5 EGBDMN Cc1ccc(Nc2ccccc2CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC001213667704 1372943379 /nfs/dbraw/zinc/94/33/79/1372943379.db2.gz WDLJMSHSHOXYAC-UHFFFAOYSA-N 0 1 340.427 3.394 20 5 EGBDMN CC(=O)c1ccc(-c2noc(-c3ccc(O)cc3[N+](=O)[O-])n2)cc1 ZINC001216890751 1373358890 /nfs/dbraw/zinc/35/88/90/1373358890.db2.gz JUOJJPHCMRRKIF-UHFFFAOYSA-N 0 1 325.280 3.220 20 5 EGBDMN O=[N+]([O-])c1cc(O)ccc1-c1nc(-c2ccc(F)c(F)c2F)no1 ZINC001216891065 1373359243 /nfs/dbraw/zinc/35/92/43/1373359243.db2.gz NGEHZZQQERITDH-UHFFFAOYSA-N 0 1 337.213 3.435 20 5 EGBDMN O=c1c2ccc([O-])cc2oc2cc(O[C@@H]3C[NH2+]CCC[C@H]3F)ccc12 ZINC001217980063 1373524728 /nfs/dbraw/zinc/52/47/28/1373524728.db2.gz IUGFNCQQAFACBO-CRAIPNDOSA-N 0 1 343.354 3.121 20 5 EGBDMN O=[N+]([O-])c1cc2nc(O[C@@H]3CCC[C@@]34CC[NH2+]C4)[n-]c2cc1Cl ZINC001218097963 1373559977 /nfs/dbraw/zinc/55/99/77/1373559977.db2.gz WKGQJKOWMPUNHB-HIFRSBDPSA-N 0 1 336.779 3.036 20 5 EGBDMN Nc1ccc(O[C@H]2CCCN(Cc3ccccc3F)C2)cc1[N+](=O)[O-] ZINC001218391310 1373605082 /nfs/dbraw/zinc/60/50/82/1373605082.db2.gz UDZRAHMPUNYJKE-HNNXBMFYSA-N 0 1 345.374 3.360 20 5 EGBDMN CC(C)(C)/C=C\C(=O)NC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001226633242 1375296790 /nfs/dbraw/zinc/29/67/90/1375296790.db2.gz OZEHMFZRHUKBOP-YFHOEESVSA-N 0 1 345.443 3.278 20 5 EGBDMN Cc1cc([N+](=O)[O-])cnc1O[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001226762222 1375327729 /nfs/dbraw/zinc/32/77/29/1375327729.db2.gz QXHJPYKUBBTIOH-QGZVFWFLSA-N 0 1 327.384 3.342 20 5 EGBDMN COc1cccc([N+](=O)[O-])c1O[C@H]1CCN(Cc2ccccc2)C1 ZINC001227694769 1375462749 /nfs/dbraw/zinc/46/27/49/1375462749.db2.gz AHNBDDXCFMVYMC-HNNXBMFYSA-N 0 1 328.368 3.257 20 5 EGBDMN C[C@H]1COCC[C@H]1Oc1ccc2c(c1)oc(=O)c1cc(O)ccc21 ZINC001229797610 1375894537 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3.256 20 5 EGBDMN C[C@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H](O)C(F)(F)F ZINC000601151293 460733220 /nfs/dbraw/zinc/73/32/20/460733220.db2.gz VPUDJZYOTHBQTB-LKFCYVNXSA-N 0 1 344.289 3.256 20 5 EGBDMN COc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000299396264 456680158 /nfs/dbraw/zinc/68/01/58/456680158.db2.gz KWTGEEFDUVNPLO-OLZOCXBDSA-N 0 1 343.383 3.281 20 5 EGBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C=Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000277135748 456693170 /nfs/dbraw/zinc/69/31/70/456693170.db2.gz UUZNSGDGWORSRO-CZHKVUGUSA-N 0 1 343.387 3.117 20 5 EGBDMN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000299596173 456738954 /nfs/dbraw/zinc/73/89/54/456738954.db2.gz RFVUUXBGOKATEN-CABCVRRESA-N 0 1 342.399 3.425 20 5 EGBDMN C[C@@H]1CCC[C@@H]1CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353593885 456789791 /nfs/dbraw/zinc/78/97/91/456789791.db2.gz LVEIOCOEUGDKQR-FRFSOERESA-N 0 1 328.416 3.444 20 5 EGBDMN CC1(C)CN(c2ccc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000301193991 456818825 /nfs/dbraw/zinc/81/88/25/456818825.db2.gz XSTYDVBGWHEMNM-UHFFFAOYSA-N 0 1 326.400 3.091 20 5 EGBDMN CCN1C[C@@H](C)N(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000344453565 456830295 /nfs/dbraw/zinc/83/02/95/456830295.db2.gz NKLDEKONOGZNLA-VXGBXAGGSA-N 0 1 339.823 3.111 20 5 EGBDMN O=C(NC[C@@H](c1ccccc1)C1CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000348757123 456842870 /nfs/dbraw/zinc/84/28/70/456842870.db2.gz SKGRFOGGCMSEQR-KRWDZBQOSA-N 0 1 326.352 3.224 20 5 EGBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000277507901 456847036 /nfs/dbraw/zinc/84/70/36/456847036.db2.gz WBPSRYSCLHVROU-ZJUUUORDSA-N 0 1 332.364 3.109 20 5 EGBDMN COC(=O)c1ccc(CNC(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000292086618 456851455 /nfs/dbraw/zinc/85/14/55/456851455.db2.gz GHEQYUCJGLZIMH-UHFFFAOYSA-N 0 1 328.368 3.406 20 5 EGBDMN CCc1ccc([C@H]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)cc1 ZINC000348857831 456883568 /nfs/dbraw/zinc/88/35/68/456883568.db2.gz 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CCO[C@H]1C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C12CCCCC2 ZINC000356601601 457078141 /nfs/dbraw/zinc/07/81/41/457078141.db2.gz JBPCYVLDSRIGQQ-CVEARBPZSA-N 0 1 348.399 3.158 20 5 EGBDMN Cc1cnc(N2C[C@H](C)N(Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000346645205 457089170 /nfs/dbraw/zinc/08/91/70/457089170.db2.gz BHLJALBKHYEQBB-JKSUJKDBSA-N 0 1 340.427 3.397 20 5 EGBDMN CCN(CC)[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000354183699 457116272 /nfs/dbraw/zinc/11/62/72/457116272.db2.gz FGXPNGDYUASWPR-GOSISDBHSA-N 0 1 341.411 3.294 20 5 EGBDMN C[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356725528 457135895 /nfs/dbraw/zinc/13/58/95/457135895.db2.gz JQOFABZQFIHWHW-APPDUMDISA-N 0 1 326.352 3.354 20 5 EGBDMN CC[C@H](C)c1nc([C@@H](C)Nc2nc3ccccc3cc2[N+](=O)[O-])n[nH]1 ZINC000362954409 457172247 /nfs/dbraw/zinc/17/22/47/457172247.db2.gz KMCRAZKVENXPQU-WDEREUQCSA-N 0 1 340.387 3.370 20 5 EGBDMN CC[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)Oc1ccccc1C ZINC000356807199 457177105 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ZINC000444771916 457972558 /nfs/dbraw/zinc/97/25/58/457972558.db2.gz SDHQZNWMDIGPSE-KBPBESRZSA-N 0 1 349.431 3.298 20 5 EGBDMN Cc1ccccc1C(C)(C)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428044978 458071429 /nfs/dbraw/zinc/07/14/29/458071429.db2.gz WPAAODFXNMDCQX-UHFFFAOYSA-N 0 1 328.368 3.316 20 5 EGBDMN CC[C@@H]1CN(CC)CCN1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000458526560 458082606 /nfs/dbraw/zinc/08/26/06/458082606.db2.gz XYAHGRHFSWFERP-GDBMZVCRSA-N 0 1 348.447 3.090 20 5 EGBDMN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000375961595 458141432 /nfs/dbraw/zinc/14/14/32/458141432.db2.gz LYGCHYLONOYANH-ZDUSSCGKSA-N 0 1 332.379 3.237 20 5 EGBDMN O=C(N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000412582049 458239937 /nfs/dbraw/zinc/23/99/37/458239937.db2.gz AIWYECUQFHOKAI-CMPLNLGQSA-N 0 1 334.763 3.037 20 5 EGBDMN C[C@@H](NC(=O)c1sccc1CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000446955964 458249495 /nfs/dbraw/zinc/24/94/95/458249495.db2.gz FBAJKDNPDHKVMK-LLVKDONJSA-N 0 1 333.413 3.209 20 5 EGBDMN Cc1cccc([N+](=O)[O-])c1C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000447079470 458262461 /nfs/dbraw/zinc/26/24/61/458262461.db2.gz VXWBCQVUOJHVQS-UHFFFAOYSA-N 0 1 330.388 3.196 20 5 EGBDMN C[N@@H+]1Cc2ccccc2[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000376406043 458291877 /nfs/dbraw/zinc/29/18/77/458291877.db2.gz HIMKFFISPFHHBP-CYBMUJFWSA-N 0 1 341.396 3.198 20 5 EGBDMN CN1Cc2ccccc2[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000376406043 458291880 /nfs/dbraw/zinc/29/18/80/458291880.db2.gz HIMKFFISPFHHBP-CYBMUJFWSA-N 0 1 341.396 3.198 20 5 EGBDMN COc1cc([N+](=O)[O-])ccc1CN[C@H](CCCO)c1ccccc1 ZINC000430206535 458420895 /nfs/dbraw/zinc/42/08/95/458420895.db2.gz OROJUKSKFIZQAJ-QGZVFWFLSA-N 0 1 330.384 3.207 20 5 EGBDMN CCCCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462483219 458623669 /nfs/dbraw/zinc/62/36/69/458623669.db2.gz JWKVKVDMPYQYET-UHFFFAOYSA-N 0 1 341.216 3.370 20 5 EGBDMN COc1cc(CN(C)C2Cc3ccccc3C2)c([N+](=O)[O-])cc1F ZINC000463492974 458705112 /nfs/dbraw/zinc/70/51/12/458705112.db2.gz OVDQJAAAWIZUIR-UHFFFAOYSA-N 0 1 330.359 3.342 20 5 EGBDMN CCc1[nH]nc(C(=O)N2CCC[C@H]2c2ccc(F)cc2C)c1[N+](=O)[O-] ZINC000456849652 458799138 /nfs/dbraw/zinc/79/91/38/458799138.db2.gz OZYSCOHMLWTUQT-AWEZNQCLSA-N 0 1 346.362 3.305 20 5 EGBDMN Cc1nc2c(n1CCC(=O)Nc1ccccc1[N+](=O)[O-])CCCC2 ZINC000519066749 458911605 /nfs/dbraw/zinc/91/16/05/458911605.db2.gz OWHGZMCYDUZYCJ-UHFFFAOYSA-N 0 1 328.372 3.007 20 5 EGBDMN CCN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H]1CCNC1=O ZINC000442968855 459069113 /nfs/dbraw/zinc/06/91/13/459069113.db2.gz XFDBDXFHQRPBRI-OAHLLOKOSA-N 0 1 345.424 3.034 20 5 EGBDMN O=[N+]([O-])c1cccc(F)c1NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000557563897 459084891 /nfs/dbraw/zinc/08/48/91/459084891.db2.gz MNDYTMVQBMIWIA-UHFFFAOYSA-N 0 1 331.282 3.270 20 5 EGBDMN O=[N+]([O-])c1cccc(F)c1NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000557563897 459084896 /nfs/dbraw/zinc/08/48/96/459084896.db2.gz MNDYTMVQBMIWIA-UHFFFAOYSA-N 0 1 331.282 3.270 20 5 EGBDMN CCc1ccc([C@@H](CO)N[C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000577745801 459089396 /nfs/dbraw/zinc/08/93/96/459089396.db2.gz VZLWBEWYWUZRKX-ZWKOTPCHSA-N 0 1 326.396 3.468 20 5 EGBDMN CCN1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H]1C ZINC000590169190 459097328 /nfs/dbraw/zinc/09/73/28/459097328.db2.gz UFTYVSCQGAGCJC-NSHDSACASA-N 0 1 331.338 3.140 20 5 EGBDMN COc1ccc(OCCn2c(C)nc3c2CCCC3)c([N+](=O)[O-])c1 ZINC000521646670 459171127 /nfs/dbraw/zinc/17/11/27/459171127.db2.gz XFPNXLKCTMXZJM-UHFFFAOYSA-N 0 1 331.372 3.066 20 5 EGBDMN CC(C)n1cc(C2=CCCN(Cc3cccc([N+](=O)[O-])c3)CC2)nn1 ZINC000590659194 459174165 /nfs/dbraw/zinc/17/41/65/459174165.db2.gz DYBRORIBGFCETB-UHFFFAOYSA-N 0 1 341.415 3.447 20 5 EGBDMN O=[N+]([O-])c1cc2c(cc1CN[C@@H]1CCc3ccccc31)OCCO2 ZINC000594973346 459201029 /nfs/dbraw/zinc/20/10/29/459201029.db2.gz RDLWMGXXZGDPBL-OAHLLOKOSA-N 0 1 326.352 3.143 20 5 EGBDMN CC(C)[C@H](NCc1ccc(Cl)cc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000595483721 459321063 /nfs/dbraw/zinc/32/10/63/459321063.db2.gz VJUIOAUTSAFWSG-RYUDHWBXSA-N 0 1 340.729 3.286 20 5 EGBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(-c2nc([C@@H]3CCCN3)no2)c1 ZINC000592356302 459578485 /nfs/dbraw/zinc/57/84/85/459578485.db2.gz KWPBHJSDRMRNCB-JTQLQIEISA-N 0 1 328.250 3.088 20 5 EGBDMN O=[N+]([O-])c1cccc(-c2nc(-c3nc([C@@H]4CCCN4)no3)cs2)c1 ZINC000592357327 459578801 /nfs/dbraw/zinc/57/88/01/459578801.db2.gz WTGHRABXWQSLLY-NSHDSACASA-N 0 1 343.368 3.193 20 5 EGBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000583908911 459616265 /nfs/dbraw/zinc/61/62/65/459616265.db2.gz PAJJBYZGMKLCTK-SDDRHHMPSA-N 0 1 345.403 3.207 20 5 EGBDMN Cc1ccc2nc([C@@H]3CCCN3c3ncc([N+](=O)[O-])c(C)n3)[nH]c2c1 ZINC000562689034 459622916 /nfs/dbraw/zinc/62/29/16/459622916.db2.gz HQKXKZGJQQACGU-AWEZNQCLSA-N 0 1 338.371 3.219 20 5 EGBDMN CCN(CC)Cc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)o1 ZINC000592843199 459702479 /nfs/dbraw/zinc/70/24/79/459702479.db2.gz OOUIQKFDWMRWGZ-UHFFFAOYSA-N 0 1 343.383 3.233 20 5 EGBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1ncccc1N(C)C ZINC000573646879 459709597 /nfs/dbraw/zinc/70/95/97/459709597.db2.gz HALBCIMWYGOQMH-GXDHUFHOSA-N 0 1 326.400 3.249 20 5 EGBDMN Cc1[nH]nc(C(=O)N2CCC[C@]2(C)Cc2cccc(F)c2)c1[N+](=O)[O-] ZINC000566278019 459833526 /nfs/dbraw/zinc/83/35/26/459833526.db2.gz ACMDIESZTASDML-QGZVFWFLSA-N 0 1 346.362 3.003 20 5 EGBDMN Cc1c(C[N@H+]2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000574764133 459868865 /nfs/dbraw/zinc/86/88/65/459868865.db2.gz SOIIMHYUFQAGTD-IAGOWNOFSA-N 0 1 340.379 3.203 20 5 EGBDMN COc1ccc(C)cc1CCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602515387 459978534 /nfs/dbraw/zinc/97/85/34/459978534.db2.gz XDBJRQRQKPQMFJ-UHFFFAOYSA-N 0 1 341.367 3.385 20 5 EGBDMN CCOc1ccccc1CCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602562899 459999257 /nfs/dbraw/zinc/99/92/57/459999257.db2.gz HXWLTJKSVQOJDZ-UHFFFAOYSA-N 0 1 341.367 3.467 20 5 EGBDMN CO[C@H]([C@@H](C)NCc1cc(Br)c([N+](=O)[O-])s1)C1CC1 ZINC000602679663 460061939 /nfs/dbraw/zinc/06/19/39/460061939.db2.gz HQVSMSUBLSOHCW-RDDDGLTNSA-N 0 1 349.250 3.322 20 5 EGBDMN O=[N+]([O-])c1ccc2oc(CN[C@@H]3CC[N@H+](C4CCCCC4)C3)nc2c1 ZINC000602710943 460078411 /nfs/dbraw/zinc/07/84/11/460078411.db2.gz MFASZWGRMIHPJT-CYBMUJFWSA-N 0 1 344.415 3.233 20 5 EGBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]2c2c(C)cccc2C)c1[N+](=O)[O-] ZINC000597888405 460096215 /nfs/dbraw/zinc/09/62/15/460096215.db2.gz ZSHZAWLYFHXYMQ-CYBMUJFWSA-N 0 1 328.372 3.220 20 5 EGBDMN COc1ccc([N+](=O)[O-])c(N2CCN(CCc3cccs3)CC2)c1 ZINC000610274058 460101277 /nfs/dbraw/zinc/10/12/77/460101277.db2.gz HFGIGEZQTCHDNU-UHFFFAOYSA-N 0 1 347.440 3.030 20 5 EGBDMN COc1cccc([C@@H](CNCc2ccc([N+](=O)[O-])cc2F)OC)c1 ZINC000598987633 460118851 /nfs/dbraw/zinc/11/88/51/460118851.db2.gz KTGMWWCVAOUWPM-QGZVFWFLSA-N 0 1 334.347 3.220 20 5 EGBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000602780941 460122648 /nfs/dbraw/zinc/12/26/48/460122648.db2.gz MKKDDRPVTHXAOJ-CXAGYDPISA-N 0 1 346.456 3.278 20 5 EGBDMN CCc1nc2c(s1)[C@@H]([N@@H+](C)CCn1c(C)ncc1[N+](=O)[O-])CCC2 ZINC000602797966 460131026 /nfs/dbraw/zinc/13/10/26/460131026.db2.gz SYCRMDZJCWNETD-ZDUSSCGKSA-N 0 1 349.460 3.128 20 5 EGBDMN O=C1Nc2ccccc2C[C@@H]1N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000599073668 460152211 /nfs/dbraw/zinc/15/22/11/460152211.db2.gz GVJSRPSLLRUMCB-ROUUACIJSA-N 0 1 337.379 3.125 20 5 EGBDMN COc1ccc(OCCN2CCC(F)(F)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000599621637 460290028 /nfs/dbraw/zinc/29/00/28/460290028.db2.gz CNOIBFBEYCTFKB-LLVKDONJSA-N 0 1 330.331 3.102 20 5 EGBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000611268299 460322297 /nfs/dbraw/zinc/32/22/97/460322297.db2.gz OOQMFGJYEIANKH-SFHVURJKSA-N 0 1 328.368 3.264 20 5 EGBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000611268299 460322301 /nfs/dbraw/zinc/32/23/01/460322301.db2.gz OOQMFGJYEIANKH-SFHVURJKSA-N 0 1 328.368 3.264 20 5 EGBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc([S@@](C)=O)cc1 ZINC000611336467 460338436 /nfs/dbraw/zinc/33/84/36/460338436.db2.gz PMNRVSJVKMXSQY-ZAMGYDSWSA-N 0 1 332.425 3.491 20 5 EGBDMN CCN(CCc1ccccc1)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000603889675 460356011 /nfs/dbraw/zinc/35/60/11/460356011.db2.gz CABKMFUHRZHMNM-UHFFFAOYSA-N 0 1 341.411 3.122 20 5 EGBDMN COC(=O)c1ccc(F)c(CN(C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000619785423 460444104 /nfs/dbraw/zinc/44/41/04/460444104.db2.gz VVJBKTOBONNFLC-UHFFFAOYSA-N 0 1 346.358 3.195 20 5 EGBDMN COc1cccc(S(=O)(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)c1 ZINC000616059919 460461955 /nfs/dbraw/zinc/46/19/55/460461955.db2.gz BPWLQGATYXLJFL-UHFFFAOYSA-N 0 1 336.369 3.021 20 5 EGBDMN Cc1ccc([N+](=O)[O-])c(NC2CCN([C@H](C)c3ccncc3)CC2)n1 ZINC000178664486 534326482 /nfs/dbraw/zinc/32/64/82/534326482.db2.gz ZQQWNODWYBNVNZ-CQSZACIVSA-N 0 1 341.415 3.331 20 5 EGBDMN CCNC(=O)c1cccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000178645201 528268429 /nfs/dbraw/zinc/26/84/29/528268429.db2.gz FPPVUJHEROBYLM-ZDUSSCGKSA-N 0 1 327.384 3.195 20 5 EGBDMN COc1ccc(CN(CCO)[C@@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000265180060 536857503 /nfs/dbraw/zinc/85/75/03/536857503.db2.gz GILJBVKARYZCHG-QGZVFWFLSA-N 0 1 342.395 3.085 20 5 EGBDMN O=[N+]([O-])c1ccn(C2CCN(Cc3sccc3Cl)CC2)n1 ZINC000328586363 547481472 /nfs/dbraw/zinc/48/14/72/547481472.db2.gz BOENBZFBKAPCAQ-UHFFFAOYSA-N 0 1 326.809 3.343 20 5 EGBDMN O=C(O[C@@H]1CCN(Cc2ccccc2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000735214439 575623297 /nfs/dbraw/zinc/62/32/97/575623297.db2.gz IBDWZDYKDGEESG-QGZVFWFLSA-N 0 1 344.342 3.165 20 5 EGBDMN O=C([O-])[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)cc1 ZINC000833166924 601644727 /nfs/dbraw/zinc/64/47/27/601644727.db2.gz WVOFCUQJIZACIT-CQSZACIVSA-N 0 1 338.722 3.303 20 5 EGBDMN C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C(=O)[O-] ZINC000833629697 604669379 /nfs/dbraw/zinc/66/93/79/604669379.db2.gz LLFDUFCCWGQYIK-IAQYHMDHSA-N 0 1 330.340 3.007 20 5 EGBDMN CC(C)[C@@H](CNCc1csc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000115629742 1293192633 /nfs/dbraw/zinc/19/26/33/1293192633.db2.gz ARHHGSUFCHGZKI-GFCCVEGCSA-N 0 1 343.449 3.295 20 5 EGBDMN CCC[C@@H]1CCCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000121367236 1293367803 /nfs/dbraw/zinc/36/78/03/1293367803.db2.gz LLJCNIOWJBAHLG-CQSZACIVSA-N 0 1 329.404 3.323 20 5 EGBDMN O=[N+]([O-])c1ccc(N2CCN(CCCF)CC2)c(C(F)(F)F)c1 ZINC000126575322 1293537998 /nfs/dbraw/zinc/53/79/98/1293537998.db2.gz WCSKPAIYVYXLHH-UHFFFAOYSA-N 0 1 335.301 3.095 20 5 EGBDMN Cc1[nH]n(-c2cc([N+](=O)[O-])ccc2Br)c(=O)c1C1CC1 ZINC000871958980 1296632070 /nfs/dbraw/zinc/63/20/70/1296632070.db2.gz IWBFOSWBIVJVOO-LBPRGKRZSA-N 0 1 338.161 3.106 20 5 EGBDMN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)[C@@H](O)C(F)(F)F ZINC000872093406 1296730492 /nfs/dbraw/zinc/73/04/92/1296730492.db2.gz VSJVUNSALWILSO-JOAULVNJSA-N 0 1 338.351 3.279 20 5 EGBDMN O=[N+]([O-])c1cc(F)c(CN[C@@H]2CCc3ccccc3OC2)c(F)c1 ZINC000510588830 1297965625 /nfs/dbraw/zinc/96/56/25/1297965625.db2.gz CTZPWQPEDDLUHC-GFCCVEGCSA-N 0 1 334.322 3.356 20 5 EGBDMN CC(C)(C)OC(=O)N1CC[C@](C)(NCc2csc([N+](=O)[O-])c2)C1 ZINC000706426404 1298220814 /nfs/dbraw/zinc/22/08/14/1298220814.db2.gz ZWABJBNIUCYTEP-HNNXBMFYSA-N 0 1 341.433 3.145 20 5 EGBDMN O=[N+]([O-])c1cc(F)c(NCc2n[nH]c(-c3ccccc3)n2)c(F)c1 ZINC000749320370 1299191282 /nfs/dbraw/zinc/19/12/82/1299191282.db2.gz QWQKQSFCLNQGKR-UHFFFAOYSA-N 0 1 331.282 3.270 20 5 EGBDMN O=[N+]([O-])c1cc(F)c(NCc2nc(-c3ccccc3)n[nH]2)c(F)c1 ZINC000749320370 1299191289 /nfs/dbraw/zinc/19/12/89/1299191289.db2.gz QWQKQSFCLNQGKR-UHFFFAOYSA-N 0 1 331.282 3.270 20 5 EGBDMN CSCC[C@@H](C)N(C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878250175 1299863905 /nfs/dbraw/zinc/86/39/05/1299863905.db2.gz DSWGZROZICYARK-LLVKDONJSA-N 0 1 336.417 3.218 20 5 EGBDMN C[C@@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000759694484 1301142905 /nfs/dbraw/zinc/14/29/05/1301142905.db2.gz MKUHVZGYHRATFH-SNVBAGLBSA-N 0 1 349.774 3.243 20 5 EGBDMN CC(C)c1[nH]nc(C(=O)N2Cc3ccccc3[C@@H](C)C2)c1[N+](=O)[O-] ZINC000771234759 1303377882 /nfs/dbraw/zinc/37/78/82/1303377882.db2.gz LHTZURFGCVCSSC-NSHDSACASA-N 0 1 328.372 3.201 20 5 EGBDMN CCOc1ccc([C@@H](C)NC[C@H](OC)C(F)(F)F)cc1[N+](=O)[O-] ZINC000777008247 1304232719 /nfs/dbraw/zinc/23/27/19/1304232719.db2.gz FSEGYYQOEMMEHL-RNCFNFMXSA-N 0 1 336.310 3.221 20 5 EGBDMN O=[N+]([O-])c1cccc(-c2cnn(CN3CC[C@H](c4ccco4)C3)c2)c1 ZINC000777956034 1304372733 /nfs/dbraw/zinc/37/27/33/1304372733.db2.gz YBFTZUFAZSBSOO-HNNXBMFYSA-N 0 1 338.367 3.498 20 5 EGBDMN CC[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1OC ZINC000780368116 1304682847 /nfs/dbraw/zinc/68/28/47/1304682847.db2.gz MMZYEWLXFNAIGY-HNNXBMFYSA-N 0 1 330.340 3.190 20 5 EGBDMN C[C@@H](Cc1ccccc1Cl)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780368682 1304682975 /nfs/dbraw/zinc/68/29/75/1304682975.db2.gz ACLDWDOPPVFCKU-JTQLQIEISA-N 0 1 334.759 3.315 20 5 EGBDMN O=[N+]([O-])c1ccc(/C=C\Sc2nc(-c3ccccc3O)n[nH]2)o1 ZINC000789908540 1306230134 /nfs/dbraw/zinc/23/01/34/1306230134.db2.gz QNXAICZJSAGMJW-FPLPWBNLSA-N 0 1 330.325 3.442 20 5 EGBDMN Cc1cc2[nH]ncc2cc1NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000791057474 1308918948 /nfs/dbraw/zinc/91/89/48/1308918948.db2.gz VYBRFPWMXBVOQK-UHFFFAOYSA-N 0 1 339.355 3.098 20 5 EGBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000791471623 1309005748 /nfs/dbraw/zinc/00/57/48/1309005748.db2.gz RPYJVOHLCSHCRO-UHFFFAOYSA-N 0 1 349.274 3.293 20 5 EGBDMN O=[N+]([O-])c1cccc(-c2nc(CN3CCCCC[C@@H]3CO)cs2)c1 ZINC000895151938 1309211683 /nfs/dbraw/zinc/21/16/83/1309211683.db2.gz OBNXQKIYXNDUCQ-MRXNPFEDSA-N 0 1 347.440 3.455 20 5 EGBDMN Cc1ccccc1CCN(C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000824554440 1320264891 /nfs/dbraw/zinc/26/48/91/1320264891.db2.gz GJOISOYJQGJEPJ-UHFFFAOYSA-N 0 1 329.356 3.486 20 5 EGBDMN CO[C@@H](CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000801911087 1316965194 /nfs/dbraw/zinc/96/51/94/1316965194.db2.gz TZEZHPRNTQLLPS-IBGZPJMESA-N 0 1 341.411 3.105 20 5 EGBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)[C@H](C(C)C)N(C)C ZINC000803495681 1317131714 /nfs/dbraw/zinc/13/17/14/1317131714.db2.gz RVFUZXSRRKWZJQ-INIZCTEOSA-N 0 1 338.404 3.011 20 5 EGBDMN Cc1[nH]ncc1C1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000803639398 1317141879 /nfs/dbraw/zinc/14/18/79/1317141879.db2.gz SUCLVCMTNZUWID-UHFFFAOYSA-N 0 1 348.790 3.300 20 5 EGBDMN O=C([O-])CC[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000901972584 1317503950 /nfs/dbraw/zinc/50/39/50/1317503950.db2.gz VEEIOUICKAIYRF-UHFFFAOYSA-N 0 1 330.340 3.294 20 5 EGBDMN CC(C)[C@@H]1CN(C)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809918973 1317917957 /nfs/dbraw/zinc/91/79/57/1317917957.db2.gz CQQINGPHSJLVHC-ZDUSSCGKSA-N 0 1 340.811 3.052 20 5 EGBDMN CCN1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@@H]1C ZINC000809966338 1317926009 /nfs/dbraw/zinc/92/60/09/1317926009.db2.gz YDAMOUFILGAGAC-JTQLQIEISA-N 0 1 332.231 3.428 20 5 EGBDMN CCCc1[nH]nc(C(=O)N(C[C@H]2CCC[C@H](C)C2)OC)c1[N+](=O)[O-] ZINC000812417901 1318386384 /nfs/dbraw/zinc/38/63/84/1318386384.db2.gz HRWBVLQZHGKOMI-RYUDHWBXSA-N 0 1 338.408 3.100 20 5 EGBDMN CC(C)n1cc2c(n1)[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000819218370 1319671990 /nfs/dbraw/zinc/67/19/90/1319671990.db2.gz OCBSUEZQWYHTTH-SJORKVTESA-N 0 1 344.415 3.073 20 5 EGBDMN CCCCOC(=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000916863887 1319716702 /nfs/dbraw/zinc/71/67/02/1319716702.db2.gz JFWHGJQZOVZHFU-UHFFFAOYSA-N 0 1 332.312 3.099 20 5 EGBDMN C[C@H]1CSC[C@@H]1NCc1cc([N+](=O)[O-])ccc1Br ZINC000930455009 1328860601 /nfs/dbraw/zinc/86/06/01/1328860601.db2.gz GEPADSZJPXMOAO-UFBFGSQYSA-N 0 1 331.235 3.198 20 5 EGBDMN CCOc1ccc([N+](=O)[O-])cc1CN(C)C[C@](C)(O)c1ccccc1 ZINC000822516279 1320092758 /nfs/dbraw/zinc/09/27/58/1320092758.db2.gz JUZQGTOKNJYZCG-IBGZPJMESA-N 0 1 344.411 3.333 20 5 EGBDMN Cc1noc(C)c1[C@H](C)CC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837596022 1320650851 /nfs/dbraw/zinc/65/08/51/1320650851.db2.gz SVYNYDFWMNWODL-SECBINFHSA-N 0 1 334.328 3.142 20 5 EGBDMN Cc1cc(C(=O)OCc2cc(O)ccc2[N+](=O)[O-])nn1[C@H](C)C1CC1 ZINC000837618457 1320655293 /nfs/dbraw/zinc/65/52/93/1320655293.db2.gz KWXAZTIEWFCHLB-LLVKDONJSA-N 0 1 345.355 3.133 20 5 EGBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2NCc1cccc2c1OCCO2 ZINC000848534518 1321971152 /nfs/dbraw/zinc/97/11/52/1321971152.db2.gz QTWXTAVCYOBTNP-OAHLLOKOSA-N 0 1 326.352 3.143 20 5 EGBDMN CC1C[C@H]2CC[C@@H](C1)N2Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000853605058 1325132118 /nfs/dbraw/zinc/13/21/18/1325132118.db2.gz FOVKUFKHAMWEAT-LQDVMPOASA-N 0 1 327.388 3.074 20 5 EGBDMN Cc1cc(C[C@H](C)Nc2cccc(Br)c2[N+](=O)[O-])[nH]n1 ZINC000856736628 1325515807 /nfs/dbraw/zinc/51/58/07/1325515807.db2.gz RPWJDUOBLUSPKM-QMMMGPOBSA-N 0 1 339.193 3.432 20 5 EGBDMN COCCC1CCN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000863270093 1329542287 /nfs/dbraw/zinc/54/22/87/1329542287.db2.gz WERMFLVXGVZLEN-UHFFFAOYSA-N 0 1 344.415 3.164 20 5 EGBDMN O=C1c2c(cccc2Nc2ccc(O)c([N+](=O)[O-])c2)CN1C1CC1 ZINC001210398593 1372342606 /nfs/dbraw/zinc/34/26/06/1372342606.db2.gz ILSQVXJSOAVILJ-UHFFFAOYSA-N 0 1 325.324 3.162 20 5 EGBDMN CN1Cc2cc(Nc3ccc(O)c([N+](=O)[O-])c3)ccc2N(C)C1=O ZINC001210399417 1372343126 /nfs/dbraw/zinc/34/31/26/1372343126.db2.gz SBDJDDVMEAGXIK-UHFFFAOYSA-N 0 1 328.328 3.046 20 5 EGBDMN COc1cc([N+](=O)[O-])c(-c2nc(-c3cccc(F)c3C)no2)cc1O ZINC001216343834 1373303165 /nfs/dbraw/zinc/30/31/65/1373303165.db2.gz UQGYJDBCHDKRIB-UHFFFAOYSA-N 0 1 345.286 3.474 20 5 EGBDMN COc1cc([N+](=O)[O-])c(-c2nc(-c3cnc(C)cc3C)no2)cc1O ZINC001216347811 1373303867 /nfs/dbraw/zinc/30/38/67/1373303867.db2.gz COMZAUUWYNPDHR-UHFFFAOYSA-N 0 1 342.311 3.038 20 5 EGBDMN O=c1c2ccc([O-])cc2oc2cc(O[C@H]3C[NH2+]CCC[C@H]3F)ccc12 ZINC001217980065 1373525050 /nfs/dbraw/zinc/52/50/50/1373525050.db2.gz IUGFNCQQAFACBO-QAPCUYQASA-N 0 1 343.354 3.121 20 5 EGBDMN CCCc1ccccc1C(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001131124091 1373647361 /nfs/dbraw/zinc/64/73/61/1373647361.db2.gz OLMNSDPPKKWSFI-UHFFFAOYSA-N 0 1 341.411 3.067 20 5 EGBDMN CC1(CC(=O)NCC2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC001223854870 1375045892 /nfs/dbraw/zinc/04/58/92/1375045892.db2.gz QLJUECMAQQPOOB-UHFFFAOYSA-N 0 1 345.443 3.113 20 5 EGBDMN C[C@H](c1ccccn1)N1CC[C@@H](Oc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001225906457 1375172697 /nfs/dbraw/zinc/17/26/97/1375172697.db2.gz BDZUDXORRLMVEL-TZMCWYRMSA-N 0 1 331.347 3.343 20 5 EGBDMN O=c1[nH]c(C2CC2)nc(O[C@@H]2CCc3cc(F)ccc32)c1[N+](=O)[O-] ZINC001228609572 1375614987 /nfs/dbraw/zinc/61/49/87/1375614987.db2.gz FQTOZROQLQMHBV-GFCCVEGCSA-N 0 1 331.303 3.173 20 5 EGBDMN C=C/C(C)=C\CC(=O)NC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001228701864 1375645071 /nfs/dbraw/zinc/64/50/71/1375645071.db2.gz GNLLQKTVIJAYAB-NVNXTCNLSA-N 0 1 343.427 3.198 20 5 EGBDMN COC(C)(C)C[C@@H](C)Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-] ZINC001228858711 1375696271 /nfs/dbraw/zinc/69/62/71/1375696271.db2.gz GIRWJFYBLIAMDV-SSDOTTSWSA-N 0 1 338.282 3.297 20 5 EGBDMN NCc1ncccc1NC(=O)c1ccc2oc3ccccc3c(=O)c2c1 ZINC001153426803 1380075295 /nfs/dbraw/zinc/07/52/95/1380075295.db2.gz HRNPUUFLNMRLME-UHFFFAOYSA-N 0 1 345.358 3.052 20 5 EGBDMN O=C1NC(=O)[C@@H](Nc2ccc3ccc4ccc(Cl)nc4c3n2)S1 ZINC001155840857 1380498004 /nfs/dbraw/zinc/49/80/04/1380498004.db2.gz BLDZEBMVYWJMIC-AWEZNQCLSA-N 0 1 344.783 3.157 20 5 EGBDMN C/C=C(/C)C(=O)NCCC1=CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001159754051 1381890546 /nfs/dbraw/zinc/89/05/46/1381890546.db2.gz YAOAONOBTARKKV-CQPUUCJISA-N 0 1 343.427 3.199 20 5 EGBDMN CCOC(=O)c1c(CN)ncn1-c1nc2ccccc2c2ccccc21 ZINC001162540800 1382784620 /nfs/dbraw/zinc/78/46/20/1382784620.db2.gz IFTRAZZEJUNYHL-UHFFFAOYSA-N 0 1 346.390 3.209 20 5 EGBDMN CC(C)N1CCN(c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])C[C@H]1C ZINC001165199477 1383245880 /nfs/dbraw/zinc/24/58/80/1383245880.db2.gz XEYDUKXRDJRKAJ-LLVKDONJSA-N 0 1 349.822 3.110 20 5 EGBDMN COc1ccc(C[C@@H](C)N2CCc3ncc(C)cc3C2)c([N+](=O)[O-])c1 ZINC001170354395 1384299143 /nfs/dbraw/zinc/29/91/43/1384299143.db2.gz KPVOLCHMETYAQZ-CQSZACIVSA-N 0 1 341.411 3.296 20 5 EGBDMN O=[N+]([O-])c1ccc2c(c1)CC[C@@H](NCc1ncc(Cl)cn1)CC2 ZINC001172901226 1384874246 /nfs/dbraw/zinc/87/42/46/1384874246.db2.gz LLVVYPLIUWBWAB-AWEZNQCLSA-N 0 1 332.791 3.075 20 5 EGBDMN CN(CC(=O)OC(C)(C)C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172905785 1384875540 /nfs/dbraw/zinc/87/55/40/1384875540.db2.gz UIJOSXSSHVYWDX-HNNXBMFYSA-N 0 1 334.416 3.116 20 5 EGBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@H]3[C@H](CC3(F)F)C2)c1F ZINC001173183492 1384932459 /nfs/dbraw/zinc/93/24/59/1384932459.db2.gz ZABINCWMXAJWAL-UMNHJUIQSA-N 0 1 344.333 3.261 20 5 EGBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@H](C)c2nccs2)c1F ZINC001173182898 1384932698 /nfs/dbraw/zinc/93/26/98/1384932698.db2.gz VHGWNORWOZDWEP-NXEZZACHSA-N 0 1 339.392 3.481 20 5 EGBDMN Cc1cccc(N2CCN([C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001173223911 1384939130 /nfs/dbraw/zinc/93/91/30/1384939130.db2.gz BMBAGQGWEUQZHI-MRXNPFEDSA-N 0 1 340.427 3.051 20 5 EGBDMN CN1CCN(c2cccc(Nc3cc([N+](=O)[O-])ccc3F)c2)CC1 ZINC001175736579 1385389125 /nfs/dbraw/zinc/38/91/25/1385389125.db2.gz AWLYSKDHCUAMHG-UHFFFAOYSA-N 0 1 330.363 3.229 20 5 EGBDMN O=[N+]([O-])c1sccc1S(=O)(=O)Nc1ccc(F)cc1Cl ZINC001321388922 1386892186 /nfs/dbraw/zinc/89/21/86/1386892186.db2.gz PTYLWLKSFVIZJC-UHFFFAOYSA-N 0 1 336.753 3.250 20 5 EGBDMN CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC001340889501 1390397250 /nfs/dbraw/zinc/39/72/50/1390397250.db2.gz SVXSIGXTKVJUAN-RLFYNMQTSA-N 0 1 333.432 3.100 20 5 EGBDMN O=[N+]([O-])c1cccc([C@@H]2C[C@@H]2c2nc([C@H]3CN4CCC3CC4)no2)c1 ZINC001345148143 1390841658 /nfs/dbraw/zinc/84/16/58/1390841658.db2.gz GLWWQXCETLIIRT-JYJNAYRXSA-N 0 1 340.383 3.058 20 5 EGBDMN O=[N+]([O-])c1ccc([C@H](O)CNCc2cc(-c3ccccc3)no2)cc1 ZINC001346137276 1390910372 /nfs/dbraw/zinc/91/03/72/1390910372.db2.gz WWSOGXNGZKVELH-GOSISDBHSA-N 0 1 339.351 3.073 20 5 EGBDMN CCN(CCNC(=O)c1ccccc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001753077293 1440291716 /nfs/dbraw/zinc/29/17/16/1440291716.db2.gz OIJAYEDWUNPUIV-UHFFFAOYSA-N 0 1 341.411 3.155 20 5 EGBDMN O=C(NCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CCCCC1 ZINC001753151933 1440328685 /nfs/dbraw/zinc/32/86/85/1440328685.db2.gz RLOWGCJGTKVCMG-UHFFFAOYSA-N 0 1 345.443 3.256 20 5 EGBDMN C[C@@H]1CCC[N@H+](C(C)(C)CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000910347282 981884396 /nfs/dbraw/zinc/88/43/96/981884396.db2.gz WKCOADYMYLJOKN-CYBMUJFWSA-N 0 1 349.431 3.144 20 5 EGBDMN C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001594272264 999053055 /nfs/dbraw/zinc/05/30/55/999053055.db2.gz ONCUYJWXVWQAJD-YVEFUNNKSA-N 0 1 341.367 3.271 20 5 EGBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@](CO)(c2ccccc2)C1 ZINC000368268965 168334813 /nfs/dbraw/zinc/33/48/13/168334813.db2.gz CIZVGEIODKMHEI-SFHVURJKSA-N 0 1 346.814 3.384 20 5 EGBDMN CCc1[nH]nc(C(=O)N(CC)Cc2ccccc2Cl)c1[N+](=O)[O-] ZINC000179454413 529465858 /nfs/dbraw/zinc/46/58/58/529465858.db2.gz AWDQHZAQEUSFBU-UHFFFAOYSA-N 0 1 336.779 3.196 20 5 EGBDMN C[C@@](O)(CNCc1ccc([N+](=O)[O-])cc1Cl)c1cccs1 ZINC000183806171 235231156 /nfs/dbraw/zinc/23/11/56/235231156.db2.gz FHIRLMVPNULGDD-CQSZACIVSA-N 0 1 326.805 3.307 20 5 EGBDMN Cc1nc(NC(=O)[C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)sc1C ZINC000112532130 220344619 /nfs/dbraw/zinc/34/46/19/220344619.db2.gz PTHMJAHVQPTDMI-WDEREUQCSA-N 0 1 348.428 3.346 20 5 EGBDMN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1cccc(Cl)c1Cl ZINC000183751821 533407156 /nfs/dbraw/zinc/40/71/56/533407156.db2.gz PQRPUPTXUZZPPL-SECBINFHSA-N 0 1 329.187 3.449 20 5 EGBDMN COc1ccc(-c2ccc(CNCc3ccn(C)c3)o2)c([N+](=O)[O-])c1 ZINC000344649331 144205150 /nfs/dbraw/zinc/20/51/50/144205150.db2.gz ZKRSCCZXYFBGLU-UHFFFAOYSA-N 0 1 341.367 3.492 20 5 EGBDMN O=[N+]([O-])c1cc(F)c(CN[C@H]2CCCC[C@@H]2n2cccn2)c(F)c1 ZINC000351815669 144310429 /nfs/dbraw/zinc/31/04/29/144310429.db2.gz NOJYFBKDNQCGNB-HOTGVXAUSA-N 0 1 336.342 3.343 20 5 EGBDMN O=[N+]([O-])c1cc(F)c(CN[C@@H]2CCCC[C@H]2n2cccn2)c(F)c1 ZINC000351815670 144310455 /nfs/dbraw/zinc/31/04/55/144310455.db2.gz NOJYFBKDNQCGNB-HZPDHXFCSA-N 0 1 336.342 3.343 20 5 EGBDMN C[C@@H](N[C@@H](C)c1cccnc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000194720681 153352811 /nfs/dbraw/zinc/35/28/11/153352811.db2.gz WCADRRUIFVQYAO-WDEREUQCSA-N 0 1 348.790 3.321 20 5 EGBDMN CC(C)N(C)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000337303633 154271678 /nfs/dbraw/zinc/27/16/78/154271678.db2.gz ZKAKSJZDVSGETO-UHFFFAOYSA-N 0 1 349.412 3.240 20 5 EGBDMN CCNC(=O)[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000339431100 154853898 /nfs/dbraw/zinc/85/38/98/154853898.db2.gz HXVKXPAAYGNSOD-KRWDZBQOSA-N 0 1 345.399 3.105 20 5 EGBDMN Cc1ccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1F ZINC000093534837 162015724 /nfs/dbraw/zinc/01/57/24/162015724.db2.gz MGMDGRSYVNJOPR-AWEZNQCLSA-N 0 1 330.363 3.124 20 5 EGBDMN O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2nnc[nH]2)c1 ZINC000114393801 162230001 /nfs/dbraw/zinc/23/00/01/162230001.db2.gz AZIJXKNYLCXLTR-RMKNXTFCSA-N 0 1 335.323 3.032 20 5 EGBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C)CCC[C@H]1C ZINC000125165558 162265701 /nfs/dbraw/zinc/26/57/01/162265701.db2.gz CJYNQIOKRWXCHS-CHWSQXEVSA-N 0 1 335.404 3.052 20 5 EGBDMN CSc1ccc([C@H](C)NCc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000337228677 163170466 /nfs/dbraw/zinc/17/04/66/163170466.db2.gz TZOOVJPYNOPCRE-NSHDSACASA-N 0 1 345.424 3.266 20 5 EGBDMN CC(C)CC1(C)CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000343961585 164073599 /nfs/dbraw/zinc/07/35/99/164073599.db2.gz IYTQGHITQQHFML-UHFFFAOYSA-N 0 1 333.432 3.342 20 5 EGBDMN Cc1c(NC(=O)[C@@H](C)N2CCC[C@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000344146524 164114221 /nfs/dbraw/zinc/11/42/21/164114221.db2.gz QSRGYJYBQCQTOP-HIFRSBDPSA-N 0 1 331.416 3.352 20 5 EGBDMN CCn1c2ccc(F)cc2nc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000345998618 164314359 /nfs/dbraw/zinc/31/43/59/164314359.db2.gz WJUGRDFAZJELLU-UHFFFAOYSA-N 0 1 344.302 3.061 20 5 EGBDMN O=[N+]([O-])c1ccn(CCN(Cc2ccccc2Cl)CC2CC2)n1 ZINC000352251150 165308322 /nfs/dbraw/zinc/30/83/22/165308322.db2.gz ONTZNLADGFXXIM-UHFFFAOYSA-N 0 1 334.807 3.357 20 5 EGBDMN C[C@@]1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@@H]1c1ccccc1 ZINC000355046066 166092676 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457052255 /nfs/dbraw/zinc/05/22/55/457052255.db2.gz SQNDJLMTMGNJMU-CYBMUJFWSA-N 0 1 328.368 3.278 20 5 EGBDMN Cc1ccc(C[C@@H]2CCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000356574090 457063256 /nfs/dbraw/zinc/06/32/56/457063256.db2.gz IMGLYQCXKBBQIN-INIZCTEOSA-N 0 1 340.379 3.456 20 5 EGBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2cc([N+](=O)[O-])ccc2C)n[nH]1 ZINC000362743228 457072487 /nfs/dbraw/zinc/07/24/87/457072487.db2.gz WCGCDDUIPNGZRH-ONGXEEELSA-N 0 1 346.391 3.418 20 5 EGBDMN COc1ccc([C@@H](C)CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000356602726 457078091 /nfs/dbraw/zinc/07/80/91/457078091.db2.gz AEVCPCUMOYAVMU-LBPRGKRZSA-N 0 1 344.367 3.233 20 5 EGBDMN CC(C)C[C@@H](N)c1noc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 ZINC000339394159 457090815 /nfs/dbraw/zinc/09/08/15/457090815.db2.gz PHFRYTWCLLQPEW-CYBMUJFWSA-N 0 1 345.403 3.291 20 5 EGBDMN CCC(C)(C)CCN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000339743178 457244824 /nfs/dbraw/zinc/24/48/24/457244824.db2.gz RHTFHKFDAGVPSV-UHFFFAOYSA-N 0 1 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CCO[C@@H]1C[C@H](N(C)Cn2ncc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC000740862964 576631400 /nfs/dbraw/zinc/63/14/00/576631400.db2.gz IYHSDEUREJRFLJ-JKSUJKDBSA-N 0 1 332.404 3.037 20 5 EGBDMN C[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C ZINC000741791176 576722030 /nfs/dbraw/zinc/72/20/30/576722030.db2.gz QOTUCLIGZXWPOB-GHMZBOCLSA-N 0 1 325.796 3.307 20 5 EGBDMN C[C@H]1CCC[C@H](C)N(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000742156024 576752738 /nfs/dbraw/zinc/75/27/38/576752738.db2.gz VPKICQNWBRXCMA-KBPBESRZSA-N 0 1 329.404 3.321 20 5 EGBDMN C[C@H]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000745170642 576842870 /nfs/dbraw/zinc/84/28/70/576842870.db2.gz FJHWIQVPTLMPIV-NSHDSACASA-N 0 1 325.796 3.309 20 5 EGBDMN C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C1(C(=O)[O-])CCCCC1 ZINC000833694743 604787330 /nfs/dbraw/zinc/78/73/30/604787330.db2.gz ZNZGNHWWNVIPNV-UHFFFAOYSA-N 0 1 326.780 3.468 20 5 EGBDMN CC(C)c1ccc(CN2CCC(N3CCOC3=O)CC2)cc1[N+](=O)[O-] ZINC000827746130 1292364216 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O=[N+]([O-])c1ccc(CN2CCC[C@@H]2C[C@H](O)c2ccco2)cc1F ZINC000283252672 456744723 /nfs/dbraw/zinc/74/47/23/456744723.db2.gz VMWYQHSTWLUNEK-CJNGLKHVSA-N 0 1 334.347 3.415 20 5 EGBDMN CC[C@H](C)N(CC(=O)OC(C)(C)C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339044094 456914120 /nfs/dbraw/zinc/91/41/20/456914120.db2.gz IMARHXNPRPVONF-LBPRGKRZSA-N 0 1 338.404 3.243 20 5 EGBDMN COc1ccccc1[C@H]1CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356501790 457025148 /nfs/dbraw/zinc/02/51/48/457025148.db2.gz BUMDFLKICLZGSX-MRXNPFEDSA-N 0 1 342.351 3.286 20 5 EGBDMN Cc1sc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)nc1C(C)C ZINC000356570884 457061944 /nfs/dbraw/zinc/06/19/44/457061944.db2.gz BZZBWBGUGCSHTQ-UHFFFAOYSA-N 0 1 335.385 3.119 20 5 EGBDMN O=C(Nc1nc(-c2ccco2)cs1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356615536 457085006 /nfs/dbraw/zinc/08/50/06/457085006.db2.gz GJSYQMLXDUASCC-UHFFFAOYSA-N 0 1 331.309 3.269 20 5 EGBDMN O=C(N[C@@H]1CCCOc2c(F)cccc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356759554 457154396 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CC[C@@H](CC(F)(F)F)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000354536293 457275399 /nfs/dbraw/zinc/27/53/99/457275399.db2.gz ALRDWBNENDOLQH-UWVGGRQHSA-N 0 1 333.310 3.242 20 5 EGBDMN CC[C@@H](CC(F)(F)F)N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000354542094 457279593 /nfs/dbraw/zinc/27/95/93/457279593.db2.gz WLUYSFRSYMAAKP-ZJUUUORDSA-N 0 1 333.310 3.242 20 5 EGBDMN Cc1cccc2sc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)nc21 ZINC000355382337 457366605 /nfs/dbraw/zinc/36/66/05/457366605.db2.gz LSKGJZWVAZABHM-UHFFFAOYSA-N 0 1 329.337 3.471 20 5 EGBDMN Cc1cc(N2CC[C@H](c3nc[nH]n3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000425279376 457480449 /nfs/dbraw/zinc/48/04/49/457480449.db2.gz FOUSLJQURPHGSD-VIFPVBQESA-N 0 1 341.293 3.034 20 5 EGBDMN O=C(NCc1ccccc1C(F)(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356350901 457579444 /nfs/dbraw/zinc/57/94/44/457579444.db2.gz COESPRUMHGBSKA-UHFFFAOYSA-N 0 1 340.257 3.249 20 5 EGBDMN Cn1cc(-c2ccccc2CNCc2csc([N+](=O)[O-])c2)cn1 ZINC000371173622 457817847 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3.297 20 5 EGBDMN COc1ccc([N+](=O)[O-])c(Cc2noc(-c3ccc(O)cc3F)n2)c1 ZINC000445584288 458067150 /nfs/dbraw/zinc/06/71/50/458067150.db2.gz PRVOGNPIJFMUQM-UHFFFAOYSA-N 0 1 345.286 3.089 20 5 EGBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](c2ccnn2C)C1 ZINC000371825720 458088383 /nfs/dbraw/zinc/08/83/83/458088383.db2.gz YDMPWSMWEFUYLK-CQSZACIVSA-N 0 1 344.415 3.107 20 5 EGBDMN COc1c(-c2nc(-c3ccc(O)c(F)c3)no2)cccc1[N+](=O)[O-] ZINC000436881256 458398813 /nfs/dbraw/zinc/39/88/13/458398813.db2.gz WUJSAIOBPGULLD-UHFFFAOYSA-N 0 1 331.259 3.165 20 5 EGBDMN O=[N+]([O-])c1ccc2oc(CN3CC[C@@H](O)[C@H](C4CCCC4)C3)nc2c1 ZINC000459800701 458482822 /nfs/dbraw/zinc/48/28/22/458482822.db2.gz KPPGMNLGBOSOOS-GOEBONIOSA-N 0 1 345.399 3.109 20 5 EGBDMN CC(C)C[C@@H]1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000468869775 458540230 /nfs/dbraw/zinc/54/02/30/458540230.db2.gz HJHFPLYMTKIVCH-HNNXBMFYSA-N 0 1 333.432 3.316 20 5 EGBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000424263794 458597703 /nfs/dbraw/zinc/59/77/03/458597703.db2.gz GKOIPMKONVULTO-MLGOLLRUSA-N 0 1 336.388 3.067 20 5 EGBDMN C[C@@H]1CCC[C@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)C1 ZINC000439190516 458668625 /nfs/dbraw/zinc/66/86/25/458668625.db2.gz WMPODELEVQJMJO-PWSUYJOCSA-N 0 1 329.360 3.145 20 5 EGBDMN CN(C)[C@H](CNc1ccnc2c1cccc2[N+](=O)[O-])c1ccco1 ZINC000432312283 458712367 /nfs/dbraw/zinc/71/23/67/458712367.db2.gz NTKCQTUVJPHDMG-OAHLLOKOSA-N 0 1 326.356 3.451 20 5 EGBDMN Cc1ccc(CN(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1C ZINC000456949131 458824064 /nfs/dbraw/zinc/82/40/64/458824064.db2.gz ISBJTBXQONUHOO-UHFFFAOYSA-N 0 1 330.388 3.330 20 5 EGBDMN CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000531067312 458866200 /nfs/dbraw/zinc/86/62/00/458866200.db2.gz MSNWQCDGNSWPQL-INIZCTEOSA-N 0 1 347.802 3.281 20 5 EGBDMN COc1ccc(OCCN(C)Cc2ccccc2F)c([N+](=O)[O-])c1 ZINC000441224241 458902460 /nfs/dbraw/zinc/90/24/60/458902460.db2.gz FDGOIIREMNEYSE-UHFFFAOYSA-N 0 1 334.347 3.253 20 5 EGBDMN Cc1coc2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12 ZINC000442231660 458998708 /nfs/dbraw/zinc/99/87/08/458998708.db2.gz VLAQSXOTVLVZJH-UHFFFAOYSA-N 0 1 332.337 3.450 20 5 EGBDMN O=C([O-])C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CCCC1 ZINC000577888530 459114447 /nfs/dbraw/zinc/11/44/47/459114447.db2.gz WRWRZHOPWWMACN-UHFFFAOYSA-N 0 1 346.305 3.443 20 5 EGBDMN Cc1cc(S(=O)(=O)Nc2cc(F)ccc2F)c(F)cc1[N+](=O)[O-] ZINC000590597534 459157850 /nfs/dbraw/zinc/15/78/50/459157850.db2.gz LIWBRBQYYPNAKT-UHFFFAOYSA-N 0 1 346.286 3.121 20 5 EGBDMN O=[N+]([O-])c1ccccc1/C=C/CNCc1cccnc1N1CCCC1 ZINC000594956308 459192542 /nfs/dbraw/zinc/19/25/42/459192542.db2.gz HRVBCQQBSCZSOC-VMPITWQZSA-N 0 1 338.411 3.393 20 5 EGBDMN Cc1c([C@@H](C)NCc2cccc(S(C)(=O)=O)c2)cccc1[N+](=O)[O-] ZINC000590779380 459214222 /nfs/dbraw/zinc/21/42/22/459214222.db2.gz INNGUVVXXMVZNV-CYBMUJFWSA-N 0 1 348.424 3.158 20 5 EGBDMN COc1cccc(C[C@@H]2CCCN2Cc2onc(C)c2[N+](=O)[O-])c1 ZINC000595293259 459269472 /nfs/dbraw/zinc/26/94/72/459269472.db2.gz IQONUBBFLFYWBN-AWEZNQCLSA-N 0 1 331.372 3.107 20 5 EGBDMN Cc1ccc(F)cc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000481945301 459281227 /nfs/dbraw/zinc/28/12/27/459281227.db2.gz IXAAJPWSDASUCZ-UHFFFAOYSA-N 0 1 338.360 3.460 20 5 EGBDMN CC1C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595857995 459465714 /nfs/dbraw/zinc/46/57/14/459465714.db2.gz PWJYYSUXIREIMZ-VGPLMAKISA-N 0 1 337.807 3.450 20 5 EGBDMN C[N@@H+](CC[C@@H](C(=O)[O-])c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000583268408 459512979 /nfs/dbraw/zinc/51/29/79/459512979.db2.gz OOSKHXGXCPROFY-MRXNPFEDSA-N 0 1 328.368 3.285 20 5 EGBDMN CC(C)C[N@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000583443545 459539610 /nfs/dbraw/zinc/53/96/10/459539610.db2.gz SEUIVBFRIDBXST-CQSZACIVSA-N 0 1 335.404 3.215 20 5 EGBDMN CC(C)C[N@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000583443544 459540015 /nfs/dbraw/zinc/54/00/15/459540015.db2.gz SEUIVBFRIDBXST-AWEZNQCLSA-N 0 1 335.404 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CCN(C)[C@@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001318905937 1385877115 /nfs/dbraw/zinc/87/71/15/1385877115.db2.gz FINRSBIQXODRHG-GOSISDBHSA-N 0 1 339.395 3.130 20 5 EGBDMN COC(=O)CC(C)(C)N(C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001320037781 1386467705 /nfs/dbraw/zinc/46/77/05/1386467705.db2.gz PDOJHPTZOYJWKV-UHFFFAOYSA-N 0 1 338.404 3.156 20 5 EGBDMN CC(C)c1ccc(C(=O)N2CCN(C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC001343334089 1390707935 /nfs/dbraw/zinc/70/79/35/1390707935.db2.gz CCYZKFUZXHZVIK-UHFFFAOYSA-N 0 1 333.432 3.275 20 5 EGBDMN CC(C)c1ccc(C(=O)OCc2ccc3[nH]nnc3c2)cc1[N+](=O)[O-] ZINC001343366150 1390709672 /nfs/dbraw/zinc/70/96/72/1390709672.db2.gz NBADGCBEFSTAIA-UHFFFAOYSA-N 0 1 340.339 3.347 20 5 EGBDMN CC(C)c1ccc(C(=O)OCc2ccc3nn[nH]c3c2)cc1[N+](=O)[O-] ZINC001343366150 1390709674 /nfs/dbraw/zinc/70/96/74/1390709674.db2.gz NBADGCBEFSTAIA-UHFFFAOYSA-N 0 1 340.339 3.347 20 5 EGBDMN Cc1cc(F)ccc1[C@H](C)NC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC001344876713 1390821205 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FMISKKNKVZLQNF-PMGBHYCQSA-N 0 1 347.415 3.225 20 5 EGBDMN C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@]1(C)C(=O)[O-] ZINC001599930502 985306081 /nfs/dbraw/zinc/30/60/81/985306081.db2.gz YOWGTNYUVYNYMO-XPTSAGLGSA-N 0 1 346.305 3.156 20 5 EGBDMN C[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ncc(C(=O)[O-])s1 ZINC001593220330 994310458 /nfs/dbraw/zinc/31/04/58/994310458.db2.gz RBEWDLPTAMZBHQ-RNCFNFMXSA-N 0 1 347.396 3.478 20 5 EGBDMN CCc1[nH]nc(C(=O)N2CCC[C@](C)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000172164679 529465680 /nfs/dbraw/zinc/46/56/80/529465680.db2.gz PEXKRSROLLTKPN-SFHVURJKSA-N 0 1 342.399 3.074 20 5 EGBDMN Cc1ccc([C@@H](C)N[C@H](C)C(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000178687948 232378924 /nfs/dbraw/zinc/37/89/24/232378924.db2.gz BWSIZPHDUBTRTR-HUUCEWRRSA-N 0 1 333.432 3.345 20 5 EGBDMN C[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](c2ccccc2)CO1 ZINC000353674898 290862097 /nfs/dbraw/zinc/86/20/97/290862097.db2.gz UXKFVABJOPWFPB-SCLBCKFNSA-N 0 1 328.368 3.262 20 5 EGBDMN O=C(N[C@H]1CCCOc2c(F)cccc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356759553 284176432 /nfs/dbraw/zinc/17/64/32/284176432.db2.gz ALGVIPQDOWOAGN-HNNXBMFYSA-N 0 1 346.314 3.083 20 5 EGBDMN Cc1[nH]nc(C(=O)N(Cc2ccccc2)CC2CCC2)c1[N+](=O)[O-] ZINC000264123877 246087879 /nfs/dbraw/zinc/08/78/79/246087879.db2.gz CZWIWQPFMAEWQP-UHFFFAOYSA-N 0 1 328.372 3.069 20 5 EGBDMN Cn1ccnc1[C@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000377294114 169007394 /nfs/dbraw/zinc/00/73/94/169007394.db2.gz REAVFMWSTHTATD-ZDUSSCGKSA-N 0 1 334.807 3.361 20 5 EGBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCOC(C)(C)C1 ZINC000377706423 169065215 /nfs/dbraw/zinc/06/52/15/169065215.db2.gz PVKJWPAVDXQYOM-GFCCVEGCSA-N 0 1 346.387 3.207 20 5 EGBDMN CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@@H]1CCOC1 ZINC000093839648 218252117 /nfs/dbraw/zinc/25/21/17/218252117.db2.gz HJJHTZHZJAQTLN-LBPRGKRZSA-N 0 1 333.413 3.187 20 5 EGBDMN CCN1C[C@H](C)N(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000344453563 285458573 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CC(C)N(CC(F)(F)F)C(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000341581862 155366979 /nfs/dbraw/zinc/36/69/79/155366979.db2.gz DTKKCGKSJGVIIG-NSHDSACASA-N 0 1 347.337 3.045 20 5 EGBDMN CC(=O)c1ccc(S(=O)(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cc1 ZINC000188594396 153023645 /nfs/dbraw/zinc/02/36/45/153023645.db2.gz BSXQMFSQOHWLOD-UHFFFAOYSA-N 0 1 348.380 3.215 20 5 EGBDMN O=[N+]([O-])c1ccccc1OCCN1CCC(OC2CCCC2)CC1 ZINC000195328219 153396896 /nfs/dbraw/zinc/39/68/96/153396896.db2.gz WSPUOWHXODMNOJ-UHFFFAOYSA-N 0 1 334.416 3.397 20 5 EGBDMN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000249774595 153623924 /nfs/dbraw/zinc/62/39/24/153623924.db2.gz VPWNEQCJSRZNIB-XGUBFFRZSA-N 0 1 333.432 3.138 20 5 EGBDMN CCOc1ccc([C@@H](C)N[C@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000305726452 154110850 /nfs/dbraw/zinc/11/08/50/154110850.db2.gz HIBWJTDZPYLDJJ-CZUORRHYSA-N 0 1 330.384 3.378 20 5 EGBDMN Cc1ccc([C@H](C)NCc2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000337598198 154438023 /nfs/dbraw/zinc/43/80/23/154438023.db2.gz QBRNANGGSPUWMX-ZDUSSCGKSA-N 0 1 348.424 3.158 20 5 EGBDMN O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000349119698 156359912 /nfs/dbraw/zinc/35/99/12/156359912.db2.gz GZLBMNORZBASEK-UHFFFAOYSA-N 0 1 348.322 3.114 20 5 EGBDMN Cc1cc(F)ccc1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534479 162015431 /nfs/dbraw/zinc/01/54/31/162015431.db2.gz MJFWJKWHPPZAIG-HNNXBMFYSA-N 0 1 330.363 3.124 20 5 EGBDMN Cc1c(C(=O)Nc2ccc(-c3nnc[nH]3)cc2F)cccc1[N+](=O)[O-] ZINC000344285105 164146086 /nfs/dbraw/zinc/14/60/86/164146086.db2.gz KYCARAGNVSLRFH-UHFFFAOYSA-N 0 1 341.302 3.080 20 5 EGBDMN CC(C)c1cc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000345695511 164245958 /nfs/dbraw/zinc/24/59/58/164245958.db2.gz ZBUVGFFLHZPSSY-INIZCTEOSA-N 0 1 346.412 3.329 20 5 EGBDMN CCN1C[C@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000345877966 164286337 /nfs/dbraw/zinc/28/63/37/164286337.db2.gz GLHVLQSWYNVUHA-MNOVXSKESA-N 0 1 340.811 3.195 20 5 EGBDMN COc1c(-c2nc(-c3ccc4[nH]cnc4c3)no2)cccc1[N+](=O)[O-] ZINC000346548898 164395501 /nfs/dbraw/zinc/39/55/01/164395501.db2.gz BXCSZYLOKIBDHP-UHFFFAOYSA-N 0 1 337.295 3.197 20 5 EGBDMN O=[N+]([O-])c1ccc(OCCN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000352441394 165407029 /nfs/dbraw/zinc/40/70/29/165407029.db2.gz WYSISIHRCYKZSI-DLBZAZTESA-N 0 1 332.400 3.007 20 5 EGBDMN C[C@]1(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCCc2ccccc21 ZINC000355983913 166366829 /nfs/dbraw/zinc/36/68/29/166366829.db2.gz HTGVMSPLLGQXLL-SFHVURJKSA-N 0 1 326.352 3.282 20 5 EGBDMN CCC[C@@H]1CNCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000359232780 167102049 /nfs/dbraw/zinc/10/20/49/167102049.db2.gz RIDADPXLQADIDJ-CYBMUJFWSA-N 0 1 333.413 3.024 20 5 EGBDMN COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])c(OC)c1)N(C)C ZINC000360245290 167281139 /nfs/dbraw/zinc/28/11/39/167281139.db2.gz MQJYMVFXPKXLRO-MRXNPFEDSA-N 0 1 345.399 3.327 20 5 EGBDMN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c(O)c1 ZINC000153356316 264794850 /nfs/dbraw/zinc/79/48/50/264794850.db2.gz JTHXSXFTEAAHFH-UHFFFAOYSA-N 0 1 336.369 3.026 20 5 EGBDMN Cc1ccc2nc(CNC(=O)C=Cc3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000174890008 265077601 /nfs/dbraw/zinc/07/76/01/265077601.db2.gz VJQQTQFSKQKSBE-WEVVVXLNSA-N 0 1 336.351 3.109 20 5 EGBDMN C[C@@H]1[C@@H](c2ccccc2)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000177547933 265262635 /nfs/dbraw/zinc/26/26/35/265262635.db2.gz WERVVXCYQDNOGO-ZBFHGGJFSA-N 0 1 339.395 3.411 20 5 EGBDMN COCCO[C@@H]1CCCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000193550526 266042507 /nfs/dbraw/zinc/04/25/07/266042507.db2.gz VMDZGNHPCRZILT-OAHLLOKOSA-N 0 1 345.399 3.083 20 5 EGBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc3ccc(O)cc32)c1 ZINC000194650701 266134525 /nfs/dbraw/zinc/13/45/25/266134525.db2.gz HUZCQMMQTPEFQC-UHFFFAOYSA-N 0 1 344.348 3.254 20 5 EGBDMN CSCc1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000194661524 266135615 /nfs/dbraw/zinc/13/56/15/266135615.db2.gz JAGLJNWQYPZIJZ-UHFFFAOYSA-N 0 1 338.410 3.259 20 5 EGBDMN COc1cc(CN2CCC[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000180137354 274093749 /nfs/dbraw/zinc/09/37/49/274093749.db2.gz ZYIZUAMUSRLEIM-SNVBAGLBSA-N 0 1 330.331 3.232 20 5 EGBDMN O=[N+]([O-])c1ccc(N2CCN(C3CCC3)CC2)cc1C(F)(F)F ZINC000339680983 275036247 /nfs/dbraw/zinc/03/62/47/275036247.db2.gz WIVXOXSKHVEPLK-UHFFFAOYSA-N 0 1 329.322 3.288 20 5 EGBDMN O=[N+]([O-])c1ccc(CN[C@H]2CCO[C@@H]2c2cccnc2)c(Cl)c1 ZINC000285186023 275854863 /nfs/dbraw/zinc/85/48/63/275854863.db2.gz VUBHKJZQCOFGHW-JKSUJKDBSA-N 0 1 333.775 3.263 20 5 EGBDMN CNC(=O)CC[C@@H]1CCCCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000286651551 276027550 /nfs/dbraw/zinc/02/75/50/276027550.db2.gz ZIQVANWCPCAALZ-ZDUSSCGKSA-N 0 1 339.823 3.129 20 5 EGBDMN COCc1nc(CN[C@@H](C)CCc2ccccc2[N+](=O)[O-])cs1 ZINC000289759015 276389596 /nfs/dbraw/zinc/38/95/96/276389596.db2.gz LNRUPZCPUVETLV-LBPRGKRZSA-N 0 1 335.429 3.309 20 5 EGBDMN O=C(c1c(O)cccc1F)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000131008268 307637339 /nfs/dbraw/zinc/63/73/39/307637339.db2.gz DUDHMNCFQHBPBJ-UHFFFAOYSA-N 0 1 330.315 3.244 20 5 EGBDMN O=[N+]([O-])c1ccccc1CNCCOc1ncc(Cl)cc1Cl ZINC000134476316 307688120 /nfs/dbraw/zinc/68/81/20/307688120.db2.gz BFXCNISJBMLYOE-UHFFFAOYSA-N 0 1 342.182 3.465 20 5 EGBDMN CC[C@H](N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCCO1 ZINC000248639468 308008239 /nfs/dbraw/zinc/00/82/39/308008239.db2.gz YYUZLOGPUIVPIX-UGFHNGPFSA-N 0 1 346.387 3.253 20 5 EGBDMN CO[C@@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000293065663 308095834 /nfs/dbraw/zinc/09/58/34/308095834.db2.gz SOCRJYWFZDKDDB-HNNXBMFYSA-N 0 1 333.413 3.233 20 5 EGBDMN Cc1nc(CCNc2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])n[nH]1 ZINC000293138842 308103055 /nfs/dbraw/zinc/10/30/55/308103055.db2.gz SFWADBULICGROV-UHFFFAOYSA-N 0 1 329.282 3.003 20 5 EGBDMN Cc1nnc(CCNc2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])[nH]1 ZINC000293138842 308103056 /nfs/dbraw/zinc/10/30/56/308103056.db2.gz SFWADBULICGROV-UHFFFAOYSA-N 0 1 329.282 3.003 20 5 EGBDMN CN(CC1CCCC1)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000294803378 308258895 /nfs/dbraw/zinc/25/88/95/308258895.db2.gz UMXOWSDUFNGSQI-UHFFFAOYSA-N 0 1 328.372 3.247 20 5 EGBDMN CC(C)c1nc(CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])n[nH]1 ZINC000294803847 308258926 /nfs/dbraw/zinc/25/89/26/308258926.db2.gz NDNJVKALHVSOEY-UHFFFAOYSA-N 0 1 344.202 3.433 20 5 EGBDMN C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1F ZINC000294955845 308275841 /nfs/dbraw/zinc/27/58/41/308275841.db2.gz BFGHFNFUPVXOBA-STQMWFEESA-N 0 1 345.374 3.089 20 5 EGBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(C2(N)CCCC2)no1 ZINC000414611893 309091482 /nfs/dbraw/zinc/09/14/82/309091482.db2.gz CZPYUPDGOXIMBP-ZDUSSCGKSA-N 0 1 330.388 3.442 20 5 EGBDMN O=[N+]([O-])c1cc(F)c(CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c(F)c1 ZINC000296138028 308397608 /nfs/dbraw/zinc/39/76/08/308397608.db2.gz XBJTYSSJZIHDSQ-HFBAOOFYSA-N 0 1 338.354 3.310 20 5 EGBDMN CCCC[C@@H](CC)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000319339435 308766850 /nfs/dbraw/zinc/76/68/50/308766850.db2.gz OHDOXUHQXXTBEC-LLVKDONJSA-N 0 1 332.397 3.229 20 5 EGBDMN Cc1ccc(C[NH2+]Cc2ccc(C(=O)[O-])c(C3CC3)n2)cc1[N+](=O)[O-] ZINC000417710854 309219263 /nfs/dbraw/zinc/21/92/63/309219263.db2.gz VEWGVSYRSZNZQI-UHFFFAOYSA-N 0 1 341.367 3.164 20 5 EGBDMN CCCc1[nH]nc(C(=O)N2CCC[C@@H](CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000421949293 309347664 /nfs/dbraw/zinc/34/76/64/309347664.db2.gz XMDNNUWDIKNVNW-VIFPVBQESA-N 0 1 348.325 3.075 20 5 EGBDMN CCCc1[nH]nc(C(=O)N2CCC[C@H](CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000421949292 309347691 /nfs/dbraw/zinc/34/76/91/309347691.db2.gz XMDNNUWDIKNVNW-SECBINFHSA-N 0 1 348.325 3.075 20 5 EGBDMN COc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c2cccnc12 ZINC000432482589 309662106 /nfs/dbraw/zinc/66/21/06/309662106.db2.gz HEAWTEQDZWUXKM-UHFFFAOYSA-N 0 1 339.307 3.110 20 5 EGBDMN CC(C)CN1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000439245857 309829056 /nfs/dbraw/zinc/82/90/56/309829056.db2.gz BDEHJEOAMSCHGP-UHFFFAOYSA-N 0 1 333.432 3.132 20 5 EGBDMN Cc1ccc(-c2cc(=NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)[nH][nH]2)o1 ZINC000447800799 309988841 /nfs/dbraw/zinc/98/88/41/309988841.db2.gz XPGQKHRFBRFNSC-UHFFFAOYSA-N 0 1 346.730 3.214 20 5 EGBDMN CC[C@H]1C[C@@H](C)CN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000450059010 310101258 /nfs/dbraw/zinc/10/12/58/310101258.db2.gz IYOGLEAPKDNHFA-YPMHNXCESA-N 0 1 328.372 3.246 20 5 EGBDMN C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)[C@@H](C)CN1C ZINC000450415450 310121097 /nfs/dbraw/zinc/12/10/97/310121097.db2.gz BHUJRMCURQVXKM-NEPJUHHUSA-N 0 1 332.429 3.247 20 5 EGBDMN C[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC(C)(C)C1 ZINC000450810343 310143529 /nfs/dbraw/zinc/14/35/29/310143529.db2.gz XZRMYLRRASECOX-LBPRGKRZSA-N 0 1 342.399 3.493 20 5 EGBDMN Cc1cc(N2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000450813655 310143881 /nfs/dbraw/zinc/14/38/81/310143881.db2.gz OYZSEAHIDVUDLP-YCPHGPKFSA-N 0 1 341.411 3.439 20 5 EGBDMN C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000451100429 310160474 /nfs/dbraw/zinc/16/04/74/310160474.db2.gz TXLRNKUEWFIQDR-AYMQEEERSA-N 0 1 333.432 3.329 20 5 EGBDMN Cc1ccccc1CNC(=O)[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451107863 310160945 /nfs/dbraw/zinc/16/09/45/310160945.db2.gz UEKXRBLMJGSWHV-LSDHHAIUSA-N 0 1 341.411 3.259 20 5 EGBDMN CC1(C)[C@H](NCc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]2CCCO[C@@H]21 ZINC000451474277 310180061 /nfs/dbraw/zinc/18/00/61/310180061.db2.gz AJVGHNPHLIJQJR-VQISRLSMSA-N 0 1 326.343 3.166 20 5 EGBDMN O=[N+]([O-])c1ccc([C@@H]2CCCN(Cc3cn4cccnc4n3)C2)cc1 ZINC000451550066 310185617 /nfs/dbraw/zinc/18/56/17/310185617.db2.gz QSELYLMXZKXKEH-OAHLLOKOSA-N 0 1 337.383 3.017 20 5 EGBDMN CC(C)c1[nH]nc(C(=O)N2CCCc3ccccc3CC2)c1[N+](=O)[O-] ZINC000456308723 310397603 /nfs/dbraw/zinc/39/76/03/310397603.db2.gz GTWUVUNTUUGDDX-UHFFFAOYSA-N 0 1 342.399 3.072 20 5 EGBDMN CCc1ccc(C(=O)N[C@H](C)c2n[nH]c([C@H](C)CC)n2)cc1[N+](=O)[O-] ZINC000489261309 311097333 /nfs/dbraw/zinc/09/73/33/311097333.db2.gz WEQAJOPFTYKEJN-GHMZBOCLSA-N 0 1 345.403 3.280 20 5 EGBDMN CCN(CCNc1cccc(OC)c1[N+](=O)[O-])CCC(F)(F)F ZINC000491550316 311184361 /nfs/dbraw/zinc/18/43/61/311184361.db2.gz XPUIJKWRZMNPKY-UHFFFAOYSA-N 0 1 335.326 3.290 20 5 EGBDMN COC(=O)[C@H]1CCCC[C@@]1(C)NCc1c(Cl)cccc1[N+](=O)[O-] ZINC000492175121 311223961 /nfs/dbraw/zinc/22/39/61/311223961.db2.gz GACZNWJYHAZLST-MLGOLLRUSA-N 0 1 340.807 3.460 20 5 EGBDMN CC(C)C(=O)NC1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000507167601 312061081 /nfs/dbraw/zinc/06/10/81/312061081.db2.gz MRUMKPXMWNWBCJ-UHFFFAOYSA-N 0 1 347.459 3.455 20 5 EGBDMN C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)CCc1ccccc1 ZINC000511139289 312155388 /nfs/dbraw/zinc/15/53/88/312155388.db2.gz QCLHFNBTOLIQSK-SFHVURJKSA-N 0 1 328.412 3.063 20 5 EGBDMN O=[N+]([O-])c1ccc(CN2CCCN3c4ccccc4C[C@@H]3C2)c(F)c1 ZINC000515714435 312295168 /nfs/dbraw/zinc/29/51/68/312295168.db2.gz TUHBHQXCJNTZGW-QGZVFWFLSA-N 0 1 341.386 3.371 20 5 EGBDMN C[C@H]1CN(C)CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000538730027 314271775 /nfs/dbraw/zinc/27/17/75/314271775.db2.gz ZCADWNCGSOHARI-ZDUSSCGKSA-N 0 1 331.441 3.459 20 5 EGBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[C@H]([C@H]3CCOC3)C2)c1 ZINC000555414414 315382902 /nfs/dbraw/zinc/38/29/02/315382902.db2.gz NYFWVGLRYLEWSG-RYUDHWBXSA-N 0 1 344.333 3.472 20 5 EGBDMN Cn1c2ccccc2cc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])c1=O ZINC000570107579 317008811 /nfs/dbraw/zinc/00/88/11/317008811.db2.gz SBBMUQONTHSEPD-QGZVFWFLSA-N 0 1 349.390 3.224 20 5 EGBDMN COc1cc(CN2CCC[C@@H](CSC)C2)c([N+](=O)[O-])cc1F ZINC000292524365 455687594 /nfs/dbraw/zinc/68/75/94/455687594.db2.gz WODTVDCTCAZMQP-LLVKDONJSA-N 0 1 328.409 3.318 20 5 EGBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000582395054 325437594 /nfs/dbraw/zinc/43/75/94/325437594.db2.gz NDDVNBASDUBDPD-GJZGRUSLSA-N 0 1 339.395 3.359 20 5 EGBDMN Cc1c(CN[C@@H](C[S@@](C)=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000183089112 455226718 /nfs/dbraw/zinc/22/67/18/455226718.db2.gz YYGWPJWVKBHTEO-QMHKHESXSA-N 0 1 332.425 3.113 20 5 EGBDMN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)c1 ZINC000173156150 455240477 /nfs/dbraw/zinc/24/04/77/455240477.db2.gz YPPBLXAXVBBKCL-KRWDZBQOSA-N 0 1 345.374 3.075 20 5 EGBDMN C[C@@H](CN(C)Cc1ccc(F)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000595533360 459337066 /nfs/dbraw/zinc/33/70/66/459337066.db2.gz KFLVUUGQBSCLMM-NSHDSACASA-N 0 1 326.368 3.144 20 5 EGBDMN Cc1ccnc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000616758006 460615962 /nfs/dbraw/zinc/61/59/62/460615962.db2.gz YAXIDLFNVQTKMM-UHFFFAOYSA-N 0 1 327.384 3.342 20 5 EGBDMN C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)N1CCCC1 ZINC000052641302 453840687 /nfs/dbraw/zinc/84/06/87/453840687.db2.gz BVEOSHDTSRFKAT-NSHDSACASA-N 0 1 333.413 3.024 20 5 EGBDMN C[C@@H]1c2ccsc2CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000052816787 453845838 /nfs/dbraw/zinc/84/58/38/453845838.db2.gz VKKPUBRTLPIQLD-OCCSQVGLSA-N 0 1 348.424 3.015 20 5 EGBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCc1ccccc1 ZINC000053047865 453854697 /nfs/dbraw/zinc/85/46/97/453854697.db2.gz LYJWMNDCJSFEEP-AWEZNQCLSA-N 0 1 327.384 3.096 20 5 EGBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H](c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000067190377 453909493 /nfs/dbraw/zinc/90/94/93/453909493.db2.gz BUEFBVINTSXNBI-CQSZACIVSA-N 0 1 328.372 3.036 20 5 EGBDMN Cc1ccc([C@@H](C)NCC(=O)N(C)[C@H](C)CC(C)C)cc1[N+](=O)[O-] ZINC000181823973 455386447 /nfs/dbraw/zinc/38/64/47/455386447.db2.gz ANSCSSFVTLHJFU-HUUCEWRRSA-N 0 1 335.448 3.447 20 5 EGBDMN COc1ccc(NC(=O)CN2CCC[C@@H]2C2CCCC2)c([N+](=O)[O-])c1 ZINC000055928076 454026127 /nfs/dbraw/zinc/02/61/27/454026127.db2.gz QCCYGUDKOBGMHJ-MRXNPFEDSA-N 0 1 347.415 3.197 20 5 EGBDMN CCc1ccc([C@H](NCC(C)(C)CO)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612414684 460624424 /nfs/dbraw/zinc/62/44/24/460624424.db2.gz YNNILGSQVYUXHR-QGZVFWFLSA-N 0 1 332.400 3.448 20 5 EGBDMN CN(C)c1cccc(C[N@@H+](C)CCOc2ccccc2[N+](=O)[O-])c1 ZINC000159835705 455408267 /nfs/dbraw/zinc/40/82/67/455408267.db2.gz RCHYDODAHKVMDW-UHFFFAOYSA-N 0 1 329.400 3.172 20 5 EGBDMN COc1ccc(NC(=O)CN(CCC(C)C)C2CC2)c([N+](=O)[O-])c1 ZINC000044898420 454125392 /nfs/dbraw/zinc/12/53/92/454125392.db2.gz JDEOAVUXHTXURG-UHFFFAOYSA-N 0 1 335.404 3.052 20 5 EGBDMN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cc(-c2ccccc2)n[nH]1 ZINC000089420785 454147228 /nfs/dbraw/zinc/14/72/28/454147228.db2.gz SJGFLEYHSOJRBZ-UHFFFAOYSA-N 0 1 348.322 3.114 20 5 EGBDMN Cc1cc(S(=O)(=O)Nc2ccc3ccn(C)c3c2)ccc1[N+](=O)[O-] ZINC000078001588 454175847 /nfs/dbraw/zinc/17/58/47/454175847.db2.gz QRSYXXIBZWEYSU-UHFFFAOYSA-N 0 1 345.380 3.196 20 5 EGBDMN O=C(c1c(O)cccc1F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000130281281 454186723 /nfs/dbraw/zinc/18/67/23/454186723.db2.gz NNXDJJXGURZYDN-UHFFFAOYSA-N 0 1 330.315 3.244 20 5 EGBDMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000119939688 454238625 /nfs/dbraw/zinc/23/86/25/454238625.db2.gz WXNYWNQPLVKMPQ-MRXNPFEDSA-N 0 1 334.420 3.016 20 5 EGBDMN Cc1c([C@H](C)NCc2ccc([S@@](C)=O)cc2)cccc1[N+](=O)[O-] ZINC000090220919 454294066 /nfs/dbraw/zinc/29/40/66/454294066.db2.gz VCYSYDTVCKTJDP-NPMABZOXSA-N 0 1 332.425 3.491 20 5 EGBDMN Cc1cc(F)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000047521842 454380773 /nfs/dbraw/zinc/38/07/73/454380773.db2.gz MUDNYUBZRQMICI-UHFFFAOYSA-N 0 1 344.751 3.497 20 5 EGBDMN CC[C@H](CSC)N(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000091097265 454383665 /nfs/dbraw/zinc/38/36/65/454383665.db2.gz FHXAEQAWLDSCJG-CYBMUJFWSA-N 0 1 326.418 3.035 20 5 EGBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000063582841 454425603 /nfs/dbraw/zinc/42/56/03/454425603.db2.gz RBFWKLOYRJWSCN-UHFFFAOYSA-N 0 1 345.443 3.241 20 5 EGBDMN C[C@]1(c2ccccc2)CN(CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000121638596 454461681 /nfs/dbraw/zinc/46/16/81/454461681.db2.gz WZMZBJLOQGFYJT-LJQANCHMSA-N 0 1 326.396 3.385 20 5 EGBDMN CCN(CC)[C@H](C(=O)Nc1ccc([N+](=O)[O-])c(C)n1)c1ccccc1 ZINC000134068924 454498573 /nfs/dbraw/zinc/49/85/73/454498573.db2.gz WKJRCFWDQSIXCD-KRWDZBQOSA-N 0 1 342.399 3.320 20 5 EGBDMN Cc1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)sc1C ZINC000103202241 454543003 /nfs/dbraw/zinc/54/30/03/454543003.db2.gz NBNYSXIQFAWCBO-UHFFFAOYSA-N 0 1 343.368 3.311 20 5 EGBDMN CCCN(CC(=O)NC)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000092381681 454559127 /nfs/dbraw/zinc/55/91/27/454559127.db2.gz BBXMIUGWCMWMAZ-UHFFFAOYSA-N 0 1 347.440 3.281 20 5 EGBDMN C[C@@H]1C[C@H]1c1ccc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)o1 ZINC000080367218 454572113 /nfs/dbraw/zinc/57/21/13/454572113.db2.gz JWZDZKPTQLZGTI-BXKDBHETSA-N 0 1 340.339 3.118 20 5 EGBDMN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3CCCC[C@H]3O)cs2)c1 ZINC000074371047 454572145 /nfs/dbraw/zinc/57/21/45/454572145.db2.gz DQKWJJKJUDGHOO-HUUCEWRRSA-N 0 1 333.413 3.111 20 5 EGBDMN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000051050852 454606093 /nfs/dbraw/zinc/60/60/93/454606093.db2.gz ZQXRWLBCRJQTDQ-GDBMZVCRSA-N 0 1 333.432 3.112 20 5 EGBDMN Cc1c(CN(C)C[C@H]2COc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000051505626 454627507 /nfs/dbraw/zinc/62/75/07/454627507.db2.gz ADNNZOHQKJPQTA-HNNXBMFYSA-N 0 1 328.368 3.175 20 5 EGBDMN Cc1c(CN(C)Cc2ccc3c(c2)OCCO3)cccc1[N+](=O)[O-] ZINC000051588942 454632019 /nfs/dbraw/zinc/63/20/19/454632019.db2.gz XNZKYCWVRIXMDM-UHFFFAOYSA-N 0 1 328.368 3.306 20 5 EGBDMN O=C(CCN(Cc1ccccc1[N+](=O)[O-])C1CC1)NC1CCCC1 ZINC000135222920 454648925 /nfs/dbraw/zinc/64/89/25/454648925.db2.gz ZDMDWJBMFHZNBV-UHFFFAOYSA-N 0 1 331.416 3.008 20 5 EGBDMN C[C@@H](O)C[C@@H]1CCCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000093482115 454718418 /nfs/dbraw/zinc/71/84/18/454718418.db2.gz LPJBYVLPZZIHOY-DOMZBBRYSA-N 0 1 347.440 3.454 20 5 EGBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3cnco3)cc2)c1 ZINC000148691328 454872754 /nfs/dbraw/zinc/87/27/54/454872754.db2.gz LFGKQTSIRPBEFY-UHFFFAOYSA-N 0 1 345.336 3.051 20 5 EGBDMN CC(C)C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000164216219 454877462 /nfs/dbraw/zinc/87/74/62/454877462.db2.gz ILJLWNIUYNEKGL-GFCCVEGCSA-N 0 1 336.779 3.489 20 5 EGBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC(=O)Nc1ccc(F)cc1 ZINC000126286132 454883409 /nfs/dbraw/zinc/88/34/09/454883409.db2.gz WSWYSMGGSCECLK-GFCCVEGCSA-N 0 1 331.347 3.332 20 5 EGBDMN Cc1c([C@H](C)NCc2cccnc2-n2cccn2)cccc1[N+](=O)[O-] ZINC000177904925 454918199 /nfs/dbraw/zinc/91/81/99/454918199.db2.gz LKWZRLMQWFDGDV-AWEZNQCLSA-N 0 1 337.383 3.335 20 5 EGBDMN CCCN(C)Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000127545562 454976337 /nfs/dbraw/zinc/97/63/37/454976337.db2.gz FYUABNZZGOSICG-UHFFFAOYSA-N 0 1 336.310 3.386 20 5 EGBDMN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1F ZINC000114748841 454976356 /nfs/dbraw/zinc/97/63/56/454976356.db2.gz OYRKXLPEASIFFQ-CHWSQXEVSA-N 0 1 345.374 3.089 20 5 EGBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000245586272 455335764 /nfs/dbraw/zinc/33/57/64/455335764.db2.gz JWRPICUVZNOMMD-PBHICJAKSA-N 0 1 344.415 3.273 20 5 EGBDMN Cc1ccc([C@H](C)NC(=O)c2[nH]nc3c2CCCCC3)cc1[N+](=O)[O-] ZINC000190588142 455347881 /nfs/dbraw/zinc/34/78/81/455347881.db2.gz LARHNZPCDUAXMA-LBPRGKRZSA-N 0 1 342.399 3.386 20 5 EGBDMN CCOC[C@@H]1CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000246191721 455444894 /nfs/dbraw/zinc/44/48/94/455444894.db2.gz LQJRYNJKUMKIPE-CHWSQXEVSA-N 0 1 346.387 3.064 20 5 EGBDMN Cc1cc([N+](=O)[O-])ccc1NC1CCN(Cc2ccccn2)CC1 ZINC000267002272 455491654 /nfs/dbraw/zinc/49/16/54/455491654.db2.gz ZAMALZFJGJLQEA-UHFFFAOYSA-N 0 1 326.400 3.375 20 5 EGBDMN Cn1ccnc1C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182377872 455500708 /nfs/dbraw/zinc/50/07/08/455500708.db2.gz YXMZMRKMWLTLMB-CYBMUJFWSA-N 0 1 348.834 3.436 20 5 EGBDMN CCc1ccc(C(=O)NCc2nc3ccc(F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000176123815 455543063 /nfs/dbraw/zinc/54/30/63/455543063.db2.gz JBCOIKGSUKBOCS-UHFFFAOYSA-N 0 1 342.330 3.103 20 5 EGBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)[C@H]1OCCc2sccc21 ZINC000292363993 455641898 /nfs/dbraw/zinc/64/18/98/455641898.db2.gz IJKGLEIMRMQJPK-APPDUMDISA-N 0 1 348.424 3.457 20 5 EGBDMN CSC[C@@H]1CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000292525954 455687797 /nfs/dbraw/zinc/68/77/97/455687797.db2.gz WRFWAVSZMBFHKF-GFCCVEGCSA-N 0 1 338.429 3.036 20 5 EGBDMN CCC(CC)c1cc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)on1 ZINC000269211861 455813435 /nfs/dbraw/zinc/81/34/35/455813435.db2.gz WNFJENMASVYYSP-UHFFFAOYSA-N 0 1 333.344 3.122 20 5 EGBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@H](Cc2ccccc2)C1 ZINC000269278305 455826990 /nfs/dbraw/zinc/82/69/90/455826990.db2.gz KCHDLHYPFPHRCW-CQSZACIVSA-N 0 1 326.352 3.005 20 5 EGBDMN COc1ccc(CN(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1C ZINC000269336508 455837800 /nfs/dbraw/zinc/83/78/00/455837800.db2.gz GUUXSTQHEPAFRV-UHFFFAOYSA-N 0 1 346.387 3.031 20 5 EGBDMN Cc1c(CN2CCC[C@](O)(C(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000285614614 455882250 /nfs/dbraw/zinc/88/22/50/455882250.db2.gz QGBPPMINNJVZQU-CQSZACIVSA-N 0 1 332.322 3.183 20 5 EGBDMN Cc1[nH]nc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)c1[N+](=O)[O-] ZINC000285974825 455952406 /nfs/dbraw/zinc/95/24/06/455952406.db2.gz BMPFZPPWBWYHIG-ZNMIVQPWSA-N 0 1 340.383 3.035 20 5 EGBDMN CCS[C@@H]1CCC[C@@H]1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000286228675 456004144 /nfs/dbraw/zinc/00/41/44/456004144.db2.gz RGCVOKAWOHIPKJ-UONOGXRCSA-N 0 1 348.428 3.409 20 5 EGBDMN CCOc1ccc([C@H](C)N[C@@H]2c3ccccc3C[C@H]2O)cc1[N+](=O)[O-] ZINC000271144790 456139873 /nfs/dbraw/zinc/13/98/73/456139873.db2.gz OZPLEHIPRNLQJT-OEPMTFCVSA-N 0 1 342.395 3.302 20 5 EGBDMN CC1([C@H]2CCCN(Cc3cc(Cl)ccc3[N+](=O)[O-])C2)OCCO1 ZINC000273155589 456195015 /nfs/dbraw/zinc/19/50/15/456195015.db2.gz YRFHKSDXBUOMCJ-ZDUSSCGKSA-N 0 1 340.807 3.223 20 5 EGBDMN C[C@H](N[C@@H]1CSC[C@@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000352799283 456318704 /nfs/dbraw/zinc/31/87/04/456318704.db2.gz MFPMDCPHMFOEBZ-OUJBWJOFSA-N 0 1 334.401 3.047 20 5 EGBDMN O=C(Nc1ncc(C(F)(F)F)[nH]1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000337671266 456472351 /nfs/dbraw/zinc/47/23/51/456472351.db2.gz ZXZYPBXESRILEL-UHFFFAOYSA-N 0 1 339.233 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