smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]2C)c1 ZINC000610677286 343976102 /nfs/dbraw/zinc/97/61/02/343976102.db2.gz BJIHMFFASIPOJY-VIFPVBQESA-N 0 0 206.245 2.502 20 5 BFBDRN CC(C)C1(NC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000297859957 398147541 /nfs/dbraw/zinc/14/75/41/398147541.db2.gz STMYRDFCMVKJGM-UHFFFAOYSA-N 0 0 248.282 2.513 20 5 BFBDRN Cc1cc(CNc2c(C)cccc2[N+](=O)[O-])on1 ZINC000096482943 178041367 /nfs/dbraw/zinc/04/13/67/178041367.db2.gz VWNRQMZOGLVIMW-UHFFFAOYSA-N 0 0 247.254 2.812 20 5 BFBDRN Cc1cc(COC(=O)C2CCC2)ccc1[N+](=O)[O-] ZINC000181301034 178047818 /nfs/dbraw/zinc/04/78/18/178047818.db2.gz ARDVTHQCQANXHD-UHFFFAOYSA-N 0 0 249.266 2.747 20 5 BFBDRN Cc1cc(N2CCCC[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000274691528 178114665 /nfs/dbraw/zinc/11/46/65/178114665.db2.gz JYJMLCLSHQNBMP-JTQLQIEISA-N 0 0 249.314 2.925 20 5 BFBDRN Cc1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@H]1C(F)F ZINC000343878720 398192684 /nfs/dbraw/zinc/19/26/84/398192684.db2.gz WULFEFCKOJZZHG-PSASIEDQSA-N 0 0 242.225 2.969 20 5 BFBDRN Cc1cc(N(C)CC2CC2)ccc1[N+](=O)[O-] ZINC000301059264 178096844 /nfs/dbraw/zinc/09/68/44/178096844.db2.gz CQOJJRKTXQICBB-UHFFFAOYSA-N 0 0 220.272 2.749 20 5 BFBDRN Cc1cc(N2CC[C@@H](C3CC3)C2)ncc1[N+](=O)[O-] ZINC000374323391 178117892 /nfs/dbraw/zinc/11/78/92/178117892.db2.gz IEVXXPGOHWTBCQ-LLVKDONJSA-N 0 0 247.298 2.535 20 5 BFBDRN Cc1cc(N2C[C@H](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301456225 178121463 /nfs/dbraw/zinc/12/14/63/178121463.db2.gz SBXLHNRRYZBVSS-PHIMTYICSA-N 0 0 234.299 2.995 20 5 BFBDRN CCC(CC)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000005454761 168340791 /nfs/dbraw/zinc/34/07/91/168340791.db2.gz VUVULWSJRKCPBA-UHFFFAOYSA-N 0 0 236.271 2.970 20 5 BFBDRN CN(Cc1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000192660468 398209628 /nfs/dbraw/zinc/20/96/28/398209628.db2.gz ZWPWLAUUAVERSA-UHFFFAOYSA-N 0 0 248.204 2.589 20 5 BFBDRN Cc1cc(NC(=O)C[C@@H]2C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000362038411 178134905 /nfs/dbraw/zinc/13/49/05/178134905.db2.gz PTTQCRFEYMCEBL-WPRPVWTQSA-N 0 0 248.282 2.888 20 5 BFBDRN Cc1cc(NC(C2CC2)C2CC2)ncc1[N+](=O)[O-] ZINC000073000337 178152756 /nfs/dbraw/zinc/15/27/56/178152756.db2.gz VNFPYUGMJTVGAV-UHFFFAOYSA-N 0 0 247.298 2.899 20 5 BFBDRN Cc1cc(NC2CCCC2)ncc1[N+](=O)[O-] ZINC000073000163 178154145 /nfs/dbraw/zinc/15/41/45/178154145.db2.gz RMSOJCQKUZCYAU-UHFFFAOYSA-N 0 0 221.260 2.653 20 5 BFBDRN Cc1cc(NCC(F)F)ccc1[N+](=O)[O-] ZINC000098000844 178156685 /nfs/dbraw/zinc/15/66/85/178156685.db2.gz RHJQOKOYNTTYSQ-UHFFFAOYSA-N 0 0 216.187 2.580 20 5 BFBDRN Cc1cc(NCCC2CC2)ncc1[N+](=O)[O-] ZINC000073000471 178158637 /nfs/dbraw/zinc/15/86/37/178158637.db2.gz GALKEKVYSLXFJX-UHFFFAOYSA-N 0 0 221.260 2.510 20 5 BFBDRN Cc1cc(NCc2ccncc2)ccc1[N+](=O)[O-] ZINC000035056259 178175118 /nfs/dbraw/zinc/17/51/18/178175118.db2.gz HTXQUHOAGHDVPL-UHFFFAOYSA-N 0 0 243.266 2.910 20 5 BFBDRN Cc1cc(N[C@@H](C)CF)c(F)cc1[N+](=O)[O-] ZINC000292766020 178178716 /nfs/dbraw/zinc/17/87/16/178178716.db2.gz WLXDAHMVLSQEPT-ZETCQYMHSA-N 0 0 230.214 2.812 20 5 BFBDRN Cc1cc(N[C@@H]2CC2(C)C)ncc1[N+](=O)[O-] ZINC000086002340 178180435 /nfs/dbraw/zinc/18/04/35/178180435.db2.gz XZRDEKHQKQAMDR-SECBINFHSA-N 0 0 221.260 2.509 20 5 BFBDRN Cc1cc(N[C@H]2CC2(C)C)ncc1[N+](=O)[O-] ZINC000086002342 178189444 /nfs/dbraw/zinc/18/94/44/178189444.db2.gz XZRDEKHQKQAMDR-VIFPVBQESA-N 0 0 221.260 2.509 20 5 BFBDRN Cc1cc(N[C@H]2C[C@H]2C2CC2)ncc1[N+](=O)[O-] ZINC000362375451 178191878 /nfs/dbraw/zinc/19/18/78/178191878.db2.gz JKTDVSRWBDKXRV-UWVGGRQHSA-N 0 0 233.271 2.509 20 5 BFBDRN Cc1cc(Oc2ncccn2)c(F)cc1[N+](=O)[O-] ZINC000302508619 178215939 /nfs/dbraw/zinc/21/59/39/178215939.db2.gz WSFOGLXBZAUPJC-UHFFFAOYSA-N 0 0 249.201 2.625 20 5 BFBDRN Cc1cc(S[C@@H](C)CO)c(F)cc1[N+](=O)[O-] ZINC000292387549 178218071 /nfs/dbraw/zinc/21/80/71/178218071.db2.gz DOAAOLUJTVNGMC-ZETCQYMHSA-N 0 0 245.275 2.515 20 5 BFBDRN O=[N+]([O-])c1cccnc1NCC1CCCC1 ZINC000037251431 361782349 /nfs/dbraw/zinc/78/23/49/361782349.db2.gz DRXOIOLKRSHAGH-UHFFFAOYSA-N 0 0 221.260 2.592 20 5 BFBDRN Cc1cc([N+](=O)[O-])cnc1N1CCC2(CCC2)C1 ZINC000301622154 178274629 /nfs/dbraw/zinc/27/46/29/178274629.db2.gz DROJESIVYWNOMH-UHFFFAOYSA-N 0 0 247.298 2.679 20 5 BFBDRN Cc1cc([N+](=O)[O-])ccc1NCc1ccncc1 ZINC000036950039 178272678 /nfs/dbraw/zinc/27/26/78/178272678.db2.gz PNKPWZJLOTXBON-UHFFFAOYSA-N 0 0 243.266 2.910 20 5 BFBDRN Cc1cc([N+](=O)[O-])ccc1NCc1ccon1 ZINC000093297741 178272700 /nfs/dbraw/zinc/27/27/00/178272700.db2.gz LWQKFLGPIKQJIU-UHFFFAOYSA-N 0 0 233.227 2.503 20 5 BFBDRN Cc1cc([N+](=O)[O-])cnc1N[C@H]1C=CCCC1 ZINC000301627243 178275291 /nfs/dbraw/zinc/27/52/91/178275291.db2.gz QWGIESSUXLZRFB-JTQLQIEISA-N 0 0 233.271 2.819 20 5 BFBDRN Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC[C@@H]1C ZINC000309449975 178275513 /nfs/dbraw/zinc/27/55/13/178275513.db2.gz QPFMRJHWIZYOIQ-XVKPBYJWSA-N 0 0 221.260 2.509 20 5 BFBDRN C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)CC(C)(C)C1 ZINC000576546106 365623703 /nfs/dbraw/zinc/62/37/03/365623703.db2.gz KSBMLURXLMHGCC-JTQLQIEISA-N 0 0 249.314 2.862 20 5 BFBDRN CCC(CC)CNc1ccncc1[N+](=O)[O-] ZINC000122608244 168366422 /nfs/dbraw/zinc/36/64/22/168366422.db2.gz FIRHAHFHPZXJAV-UHFFFAOYSA-N 0 0 223.276 2.838 20 5 BFBDRN O=[N+]([O-])c1cccc(F)c1N[C@H]1C[C@@H]1C(F)F ZINC000343804722 136231178 /nfs/dbraw/zinc/23/11/78/136231178.db2.gz GXXOWWFPOGESIH-FSPLSTOPSA-N 0 0 246.188 2.799 20 5 BFBDRN Cc1ccc(-c2noc(C3CC3)n2)cc1[N+](=O)[O-] ZINC000273687622 178341850 /nfs/dbraw/zinc/34/18/50/178341850.db2.gz DXLJBYRLPXYYDW-UHFFFAOYSA-N 0 0 245.238 2.831 20 5 BFBDRN CSCc1c(F)cc([N+](=O)[O-])cc1F ZINC000285340353 398259243 /nfs/dbraw/zinc/25/92/43/398259243.db2.gz YXKWJSQZBZYFBB-UHFFFAOYSA-N 0 0 219.212 2.736 20 5 BFBDRN C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000301503834 398282690 /nfs/dbraw/zinc/28/26/90/398282690.db2.gz YSYWCHINJAWCBH-ZJUUUORDSA-N 0 0 220.272 2.830 20 5 BFBDRN O=[N+]([O-])c1cccnc1N1C[C@@H]2CCCC[C@@H]2C1 ZINC000301517197 398282948 /nfs/dbraw/zinc/28/29/48/398282948.db2.gz CCFNBVYXPQIZCV-PHIMTYICSA-N 0 0 247.298 2.616 20 5 BFBDRN O=[N+]([O-])c1cccnc1N1C[C@H]2CCCC[C@@H]2C1 ZINC000301517195 398282970 /nfs/dbraw/zinc/28/29/70/398282970.db2.gz CCFNBVYXPQIZCV-GHMZBOCLSA-N 0 0 247.298 2.616 20 5 BFBDRN O=[N+]([O-])c1ccc(N2C[C@@H]3CCCC[C@H]3C2)nc1 ZINC000301562752 398285244 /nfs/dbraw/zinc/28/52/44/398285244.db2.gz PBTAEWRNWSPZLF-QWRGUYRKSA-N 0 0 247.298 2.616 20 5 BFBDRN CCC(CC)Nc1ncc([N+](=O)[O-])cc1C ZINC000052812168 168394824 /nfs/dbraw/zinc/39/48/24/168394824.db2.gz WMJLLXTUBSOVMF-UHFFFAOYSA-N 0 0 223.276 2.899 20 5 BFBDRN CC1(C)CC[C@@H]1Nc1ccc(N)cc1[N+](=O)[O-] ZINC000286244422 342817549 /nfs/dbraw/zinc/81/75/49/342817549.db2.gz BWGIJBFMZLBSBZ-NSHDSACASA-N 0 0 235.287 2.778 20 5 BFBDRN CC1(C)CC[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000286282362 342822305 /nfs/dbraw/zinc/82/23/05/342822305.db2.gz FAKCCFUDAJOORJ-SECBINFHSA-N 0 0 221.260 2.590 20 5 BFBDRN CC[C@@]1(C)CCN(c2ncc([N+](=O)[O-])cc2C)C1 ZINC000610716971 344004147 /nfs/dbraw/zinc/00/41/47/344004147.db2.gz UMPCBMOWJVZATG-ZDUSSCGKSA-N 0 0 249.314 2.925 20 5 BFBDRN O=[N+]([O-])c1sccc1N1CCCSCC1 ZINC000609560478 342883990 /nfs/dbraw/zinc/88/39/90/342883990.db2.gz IWAIIUDKEWTYDX-UHFFFAOYSA-N 0 0 244.341 2.600 20 5 BFBDRN Cc1cccc(CNc2sccc2[N+](=O)[O-])n1 ZINC000301978261 398311944 /nfs/dbraw/zinc/31/19/44/398311944.db2.gz FBUSBFUMSZNVDX-UHFFFAOYSA-N 0 0 249.295 2.972 20 5 BFBDRN CCc1cc(Oc2ccccc2[N+](=O)[O-])ncn1 ZINC000609585236 342885596 /nfs/dbraw/zinc/88/55/96/342885596.db2.gz LMMLGXCRKYHSQI-UHFFFAOYSA-N 0 0 245.238 2.740 20 5 BFBDRN C[C@H]1C[C@H]1c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000609604144 342888723 /nfs/dbraw/zinc/88/87/23/342888723.db2.gz YYNFKSWAKWMLKX-OIBJUYFYSA-N 0 0 245.238 2.768 20 5 BFBDRN C[C@H]1CCC[C@H]1CNc1ncccc1[N+](=O)[O-] ZINC000230694701 346881855 /nfs/dbraw/zinc/88/18/55/346881855.db2.gz TWPYKOMUCSMIEZ-UWVGGRQHSA-N 0 0 235.287 2.838 20 5 BFBDRN O=[N+]([O-])c1ccc(OCCC2CC2)cc1 ZINC000166379076 398337060 /nfs/dbraw/zinc/33/70/60/398337060.db2.gz LCHZIKKHLQVGQD-UHFFFAOYSA-N 0 0 207.229 2.774 20 5 BFBDRN O=[N+]([O-])c1ccccc1CN[C@@H]1CCC[C@H]1F ZINC000339587767 398332787 /nfs/dbraw/zinc/33/27/87/398332787.db2.gz UDXYNKGDERHRSE-GHMZBOCLSA-N 0 0 238.262 2.575 20 5 BFBDRN C[C@H](F)CCN1CCc2ccc([N+](=O)[O-])cc21 ZINC000351758922 136252269 /nfs/dbraw/zinc/25/22/69/136252269.db2.gz LJXXMXJZSNTAQA-VIFPVBQESA-N 0 0 238.262 2.705 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@@H](F)C2)cn1 ZINC000516924072 259334011 /nfs/dbraw/zinc/33/40/11/259334011.db2.gz FCAZFHAODLDTSL-RKDXNWHRSA-N 0 0 239.250 2.682 20 5 BFBDRN Cc1ccnc(COc2ccc([N+](=O)[O-])cc2)c1 ZINC000616200583 346902860 /nfs/dbraw/zinc/90/28/60/346902860.db2.gz OQKLATAVZYCZDG-UHFFFAOYSA-N 0 0 244.250 2.877 20 5 BFBDRN C[C@H](Nc1ccncc1[N+](=O)[O-])c1ccccn1 ZINC000035695136 358452111 /nfs/dbraw/zinc/45/21/11/358452111.db2.gz OYJGNONZXJVZQR-VIFPVBQESA-N 0 0 244.254 2.558 20 5 BFBDRN COc1cccc(NCC(C)(F)F)c1[N+](=O)[O-] ZINC000576841492 365702427 /nfs/dbraw/zinc/70/24/27/365702427.db2.gz YCVISOHMJDYHSI-UHFFFAOYSA-N 0 0 246.213 2.671 20 5 BFBDRN CCCCC[C@@H](C)Nc1ncc([N+](=O)[O-])cn1 ZINC000042571742 362010954 /nfs/dbraw/zinc/01/09/54/362010954.db2.gz VABUTCGVMQOMPB-SECBINFHSA-N 0 0 238.291 2.766 20 5 BFBDRN CC[C@H](C)Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000195043942 529684226 /nfs/dbraw/zinc/68/42/26/529684226.db2.gz SSXHBTMXZJJARZ-QMMMGPOBSA-N 0 0 223.276 2.715 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CCCC2)c2cccnc21 ZINC000196204628 346929316 /nfs/dbraw/zinc/92/93/16/346929316.db2.gz LAVGLQKHRWKYID-UHFFFAOYSA-N 0 0 243.266 2.743 20 5 BFBDRN CCC1(C(=O)N(C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269997063 168427579 /nfs/dbraw/zinc/42/75/79/168427579.db2.gz LJOYQCWHUHWOCC-UHFFFAOYSA-N 0 0 248.282 2.748 20 5 BFBDRN CC1(C)OCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000296207104 187242007 /nfs/dbraw/zinc/24/20/07/187242007.db2.gz FRZGLOANVGAVOL-NSHDSACASA-N 0 0 236.271 2.574 20 5 BFBDRN O=[N+]([O-])c1cnccc1SCc1ccccn1 ZINC000608929438 343244585 /nfs/dbraw/zinc/24/45/85/343244585.db2.gz FERSQLBYRQSSHN-UHFFFAOYSA-N 0 0 247.279 2.677 20 5 BFBDRN Cc1noc(-c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000113742052 136321562 /nfs/dbraw/zinc/32/15/62/136321562.db2.gz YXSXPTUBSGEHKP-UHFFFAOYSA-N 0 0 239.618 2.607 20 5 BFBDRN Cc1ccoc1CNc1cccnc1[N+](=O)[O-] ZINC000310290984 343411496 /nfs/dbraw/zinc/41/14/96/343411496.db2.gz ZBCPPGPUEOPFHQ-UHFFFAOYSA-N 0 0 233.227 2.503 20 5 BFBDRN O=[N+]([O-])c1cc(F)ccc1S[C@H]1CCOC1 ZINC000335683284 136329170 /nfs/dbraw/zinc/32/91/70/136329170.db2.gz VEOXOSXFLSIEIA-QMMMGPOBSA-N 0 0 243.259 2.615 20 5 BFBDRN Cc1ccc(CN(C)CC(F)F)cc1[N+](=O)[O-] ZINC000092508950 136376535 /nfs/dbraw/zinc/37/65/35/136376535.db2.gz IFFPAVNKDIEAFO-UHFFFAOYSA-N 0 0 244.241 2.600 20 5 BFBDRN CCSc1ccc([N+](=O)[O-])cc1F ZINC000118884577 343518135 /nfs/dbraw/zinc/51/81/35/343518135.db2.gz GMJJFRSRZDFPPM-UHFFFAOYSA-N 0 0 201.222 2.846 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@H]2CCC(F)(F)C2)cn1 ZINC000310561480 343535400 /nfs/dbraw/zinc/53/54/00/343535400.db2.gz JXDCINIEXJGXOA-ZETCQYMHSA-N 0 0 243.213 2.590 20 5 BFBDRN Cc1ccc(CN(C)c2ncccc2[N+](=O)[O-])o1 ZINC000046230138 343543307 /nfs/dbraw/zinc/54/33/07/343543307.db2.gz XBOBCJKXOQYTIO-UHFFFAOYSA-N 0 0 247.254 2.528 20 5 BFBDRN CCC(CC)CNc1ncc([N+](=O)[O-])s1 ZINC000083356896 343585772 /nfs/dbraw/zinc/58/57/72/343585772.db2.gz ZBRDIJOCZNYYNG-UHFFFAOYSA-N 0 0 229.305 2.899 20 5 BFBDRN CCCC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000049249070 343594729 /nfs/dbraw/zinc/59/47/29/343594729.db2.gz YGVIBQDHRFLZHB-VIFPVBQESA-N 0 0 236.271 2.572 20 5 BFBDRN C[C@@H]1CC[C@@H](C)N1c1ccccc1[N+](=O)[O-] ZINC000221576003 343601452 /nfs/dbraw/zinc/60/14/52/343601452.db2.gz KZYHVSUSVKVMPY-NXEZZACHSA-N 0 0 220.272 2.972 20 5 BFBDRN C[C@H](CCO)SCc1cccc([N+](=O)[O-])c1 ZINC000083812546 343674057 /nfs/dbraw/zinc/67/40/57/343674057.db2.gz FIDPVSOWVZDNBX-SECBINFHSA-N 0 0 241.312 2.599 20 5 BFBDRN O=[N+]([O-])c1cnccc1Sc1ccc(O)cc1 ZINC000038079225 343654203 /nfs/dbraw/zinc/65/42/03/343654203.db2.gz WIDDHPWQLFRNSP-UHFFFAOYSA-N 0 0 248.263 2.847 20 5 BFBDRN O=C(NCC1CCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000047956081 343670875 /nfs/dbraw/zinc/67/08/75/343670875.db2.gz XADVZYNWQGLILC-UHFFFAOYSA-N 0 0 249.270 2.516 20 5 BFBDRN CCCC(=O)COc1ccc(C)c([N+](=O)[O-])c1 ZINC000289387879 187347375 /nfs/dbraw/zinc/34/73/75/187347375.db2.gz QOEFBEACKJYWGK-UHFFFAOYSA-N 0 0 237.255 2.651 20 5 BFBDRN O=[N+]([O-])c1cccc(CN2OC3CCC2CC3)c1 ZINC000603030189 349860251 /nfs/dbraw/zinc/86/02/51/349860251.db2.gz CYFQJBGBFQNFMG-UHFFFAOYSA-N 0 0 248.282 2.653 20 5 BFBDRN C[C@H]1CC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000334272162 343851864 /nfs/dbraw/zinc/85/18/64/343851864.db2.gz IDBQXVABXZWITC-GZMMTYOYSA-N 0 0 249.270 2.515 20 5 BFBDRN C[C@@]1(F)CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000334539008 343890400 /nfs/dbraw/zinc/89/04/00/343890400.db2.gz CPKJDRKKNNYMMA-GFCCVEGCSA-N 0 0 238.262 2.529 20 5 BFBDRN O=[N+]([O-])c1ccnn1C[C@@H]1CCc2ccccc21 ZINC000334681186 343901494 /nfs/dbraw/zinc/90/14/94/343901494.db2.gz WOFGFLANEJHZDO-NSHDSACASA-N 0 0 243.266 2.521 20 5 BFBDRN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](F)C1 ZINC000334810573 343909132 /nfs/dbraw/zinc/90/91/32/343909132.db2.gz KIEYLICGIXUNQZ-KOLCDFICSA-N 0 0 238.262 2.700 20 5 BFBDRN C[C@@H]1CN(c2ccsc2[N+](=O)[O-])C[C@H]1C ZINC000610587330 343971370 /nfs/dbraw/zinc/97/13/70/343971370.db2.gz ICSQBAXQGQZHOQ-HTQZYQBOSA-N 0 0 226.301 2.749 20 5 BFBDRN C[C@@H]1CCN(c2ccc([N+](=O)[O-])s2)[C@H]1C ZINC000610588366 343972808 /nfs/dbraw/zinc/97/28/08/343972808.db2.gz GSEIFKHKODBLFZ-SFYZADRCSA-N 0 0 226.301 2.891 20 5 BFBDRN C[C@H]1CCCN1c1ccsc1[N+](=O)[O-] ZINC000610587374 343974104 /nfs/dbraw/zinc/97/41/04/343974104.db2.gz MFXIACGXOGCONI-ZETCQYMHSA-N 0 0 212.274 2.645 20 5 BFBDRN O=[N+]([O-])c1cnccc1N1C[C@H]2CCCC[C@@H]2C1 ZINC000610542396 343967312 /nfs/dbraw/zinc/96/73/12/343967312.db2.gz DEDMVUNOTJCHQB-GHMZBOCLSA-N 0 0 247.298 2.616 20 5 BFBDRN Cc1cnc(N2C[C@H](C)CC2(C)C)c([N+](=O)[O-])c1 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BFBDRN COc1cccc([N+](=O)[O-])c1N1CCC[C@@H]2C[C@@H]21 ZINC000594580833 348075686 /nfs/dbraw/zinc/07/56/86/348075686.db2.gz TWNJRLBWFFIPEQ-KOLCDFICSA-N 0 0 248.282 2.592 20 5 BFBDRN CCCN(c1ccc([N+](=O)[O-])cn1)C(C)C ZINC000594589097 348078427 /nfs/dbraw/zinc/07/84/27/348078427.db2.gz HVZYVIQCHUQAQU-UHFFFAOYSA-N 0 0 223.276 2.615 20 5 BFBDRN Cc1cc(NC2(C)CC=CC2)ncc1[N+](=O)[O-] ZINC000594589989 348078546 /nfs/dbraw/zinc/07/85/46/348078546.db2.gz HJGSGSSIAWBGKT-UHFFFAOYSA-N 0 0 233.271 2.819 20 5 BFBDRN Cc1nc(COc2ccc(C)c([N+](=O)[O-])c2)co1 ZINC000594488633 348062159 /nfs/dbraw/zinc/06/21/59/348062159.db2.gz PPDLZWHECGKMLQ-UHFFFAOYSA-N 0 0 248.238 2.779 20 5 BFBDRN O=[N+]([O-])c1ncccc1OC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000594881864 348119999 /nfs/dbraw/zinc/11/99/99/348119999.db2.gz PDUOFKYLBZGMQQ-OUAUKWLOSA-N 0 0 248.282 2.805 20 5 BFBDRN Cc1ncc([N+](=O)[O-])n1C[C@@H]1CCCC[C@@H]1C ZINC000594887655 348121793 /nfs/dbraw/zinc/12/17/93/348121793.db2.gz OMMAJOUZPMYTBR-ONGXEEELSA-N 0 0 237.303 2.926 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CC[C@@H](NC(=O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000177781038 384821841 /nfs/dbraw/zinc/82/18/41/384821841.db2.gz SBEMRJLDRKVYSB-GFCCVEGCSA-N 0 0 248.282 2.572 20 5 BFBDRN O=[N+]([O-])c1ccc(N2Cc3ccccc3C2)nc1 ZINC000106065746 384822821 /nfs/dbraw/zinc/82/28/21/384822821.db2.gz ZDRKFNUFMFAKBL-UHFFFAOYSA-N 0 0 241.250 2.510 20 5 BFBDRN C[C@H]1CCC[C@@H](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000180851035 384803277 /nfs/dbraw/zinc/80/32/77/384803277.db2.gz QEFPEFHJUABHQT-VHSXEESVSA-N 0 0 223.276 2.618 20 5 BFBDRN Cc1ccncc1NCc1ccc([N+](=O)[O-])cc1 ZINC000071413553 384883144 /nfs/dbraw/zinc/88/31/44/384883144.db2.gz OGKGWIBFHISYMC-UHFFFAOYSA-N 0 0 243.266 2.910 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C)C[C@H](C)C2)n1 ZINC000119726805 384885155 /nfs/dbraw/zinc/88/51/55/384885155.db2.gz FZKKJDXRBAPMKV-UWVGGRQHSA-N 0 0 249.314 2.781 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N2C[C@H](C)C[C@@H](C)C2)n1 ZINC000119727009 384885407 /nfs/dbraw/zinc/88/54/07/384885407.db2.gz FZKKJDXRBAPMKV-NXEZZACHSA-N 0 0 249.314 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CC/C=C/CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000295961103 387519242 /nfs/dbraw/zinc/51/92/42/387519242.db2.gz NBNYMBYHLCGRFV-SNAWJCMRSA-N 0 0 248.282 2.599 20 5 BFBDRN CCC(O)(CC)CNc1ccccc1[N+](=O)[O-] ZINC000063992699 387751408 /nfs/dbraw/zinc/75/14/08/387751408.db2.gz PUTYDWYNZKMZBU-UHFFFAOYSA-N 0 0 238.287 2.558 20 5 BFBDRN Cc1noc(C)c1CNc1ccccc1[N+](=O)[O-] ZINC000037059010 388085604 /nfs/dbraw/zinc/08/56/04/388085604.db2.gz LWCKYTFYDMIPGN-UHFFFAOYSA-N 0 0 247.254 2.812 20 5 BFBDRN CSCCCNc1ccccc1[N+](=O)[O-] ZINC000037058838 388085730 /nfs/dbraw/zinc/08/57/30/388085730.db2.gz FUNHEKRYRHNLDY-UHFFFAOYSA-N 0 0 226.301 2.760 20 5 BFBDRN C[C@@H]1SCC[C@@H]1Nc1ccc([N+](=O)[O-])s1 ZINC000592003190 388145863 /nfs/dbraw/zinc/14/58/63/388145863.db2.gz WTUORKHEGGHUKV-BQBZGAKWSA-N 0 0 244.341 2.962 20 5 BFBDRN CC[C@@H](Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)CC ZINC000313100228 256536552 /nfs/dbraw/zinc/53/65/52/256536552.db2.gz YPPAGVWOPNAVHO-NEPJUHHUSA-N 0 0 238.287 2.556 20 5 BFBDRN 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O=[N+]([O-])c1cccnc1N[C@H]1C=CCCC1 ZINC000301609422 388599151 /nfs/dbraw/zinc/59/91/51/388599151.db2.gz BDRYJBUAMYTRSS-VIFPVBQESA-N 0 0 219.244 2.510 20 5 BFBDRN CC[C@@H](C)Sc1ncccc1[N+](=O)[O-] ZINC000298208195 388577106 /nfs/dbraw/zinc/57/71/06/388577106.db2.gz RJNBINSRGYYVDL-SSDOTTSWSA-N 0 0 212.274 2.880 20 5 BFBDRN C[C@@H](NC(=O)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000298839923 388670395 /nfs/dbraw/zinc/67/03/95/388670395.db2.gz BWMUZIQSZXUDOC-SECBINFHSA-N 0 0 248.282 2.572 20 5 BFBDRN CC[C@H](COc1cc([N+](=O)[O-])ccc1C)OC ZINC000416914596 388672491 /nfs/dbraw/zinc/67/24/91/388672491.db2.gz OVMZRADZQZPOMF-LLVKDONJSA-N 0 0 239.271 2.707 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(OCC(=O)C(C)C)c1 ZINC000113418900 388675560 /nfs/dbraw/zinc/67/55/60/388675560.db2.gz GYJZAFXYSMUJRJ-UHFFFAOYSA-N 0 0 237.255 2.507 20 5 BFBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC1(C)C ZINC000525337223 388680910 /nfs/dbraw/zinc/68/09/10/388680910.db2.gz LSLMPTHILDARHB-UHFFFAOYSA-N 0 0 248.282 2.528 20 5 BFBDRN CC[C@@H](O)[C@H](CC)Nc1ccccc1[N+](=O)[O-] ZINC000313082061 388681882 /nfs/dbraw/zinc/68/18/82/388681882.db2.gz JWPQGJHSROPVBR-JOYOIKCWSA-N 0 0 238.287 2.556 20 5 BFBDRN CCSCCCNc1ccc([N+](=O)[O-])nc1 ZINC000300949938 388629256 /nfs/dbraw/zinc/62/92/56/388629256.db2.gz OWQMUXUYPAACHG-UHFFFAOYSA-N 0 0 241.316 2.545 20 5 BFBDRN Cc1cnc(CNc2ccc([N+](=O)[O-])cc2)s1 ZINC000091484526 388632753 /nfs/dbraw/zinc/63/27/53/388632753.db2.gz LBGVZCJJZWQLRS-UHFFFAOYSA-N 0 0 249.295 2.972 20 5 BFBDRN Cc1nc(N(CC(C)C)C2CC2)ccc1[N+](=O)[O-] ZINC000301666759 388661099 /nfs/dbraw/zinc/66/10/99/388661099.db2.gz XBCNWJSJYQQKQR-UHFFFAOYSA-N 0 0 249.314 2.923 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N2C[C@H](C)[C@@H](C)C2)c1 ZINC000447058762 388734710 /nfs/dbraw/zinc/73/47/10/388734710.db2.gz VIOFFPOJKSRNJC-QWRGUYRKSA-N 0 0 234.299 2.995 20 5 BFBDRN O=[N+]([O-])c1cc(CN2CC[C@@H]2C2CC2)cs1 ZINC000449427316 388749554 /nfs/dbraw/zinc/74/95/54/388749554.db2.gz RRPIXGRTYWJGEL-SNVBAGLBSA-N 0 0 238.312 2.641 20 5 BFBDRN O=C(CCC1CC1)Oc1cccc([N+](=O)[O-])c1 ZINC000114997266 388687439 /nfs/dbraw/zinc/68/74/39/388687439.db2.gz KTZUYAYYMOVUMY-UHFFFAOYSA-N 0 0 235.239 2.690 20 5 BFBDRN C[C@@H](O)[C@@H](C)SCc1ccc([N+](=O)[O-])cc1 ZINC000079039074 388689035 /nfs/dbraw/zinc/68/90/35/388689035.db2.gz ZMPHZKOMNKLWTL-RKDXNWHRSA-N 0 0 241.312 2.597 20 5 BFBDRN C[C@H](CO)S[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000079096874 388692433 /nfs/dbraw/zinc/69/24/33/388692433.db2.gz KDCMCKNDKAFPOM-RKDXNWHRSA-N 0 0 241.312 2.770 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C3CC3)C2)n1 ZINC000374322482 388714804 /nfs/dbraw/zinc/71/48/04/388714804.db2.gz DRTNFBHNKZCSCD-NSHDSACASA-N 0 0 247.298 2.535 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](C3CC3)C2)n1 ZINC000374322481 388714899 /nfs/dbraw/zinc/71/48/99/388714899.db2.gz DRTNFBHNKZCSCD-LLVKDONJSA-N 0 0 247.298 2.535 20 5 BFBDRN CC[C@H]1CC[C@H](Nc2ccncc2[N+](=O)[O-])CC1 ZINC000431483178 388731460 /nfs/dbraw/zinc/73/14/60/388731460.db2.gz MTKBGNTYTNSEBL-XYPYZODXSA-N 0 0 249.314 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20 5 BFBDRN Cc1cnc(OCC2(C)CCC2)c([N+](=O)[O-])c1 ZINC000332436503 388788739 /nfs/dbraw/zinc/78/87/39/388788739.db2.gz KGELJUGDDPCLQE-UHFFFAOYSA-N 0 0 236.271 2.867 20 5 BFBDRN O=[N+]([O-])c1ccccc1N1CC[C@@H]2CCC[C@@H]21 ZINC000490022648 388844412 /nfs/dbraw/zinc/84/44/12/388844412.db2.gz CRGNUJWVBXYYQO-QWRGUYRKSA-N 0 0 232.283 2.974 20 5 BFBDRN CC(=O)c1cc([N+](=O)[O-])ccc1NCC1CC1 ZINC000283667903 388824094 /nfs/dbraw/zinc/82/40/94/388824094.db2.gz WMLZWBWZAYJJFN-UHFFFAOYSA-N 0 0 234.255 2.619 20 5 BFBDRN O=C1CCC(COc2ccccc2[N+](=O)[O-])CC1 ZINC000285420101 388836234 /nfs/dbraw/zinc/83/62/34/388836234.db2.gz ZAJHVUOWZTXGLY-UHFFFAOYSA-N 0 0 249.266 2.733 20 5 BFBDRN CO[C@@H](C)[C@H](C)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000161195211 388857548 /nfs/dbraw/zinc/85/75/48/388857548.db2.gz MVUNDEQIVLAXNG-UWVGGRQHSA-N 0 0 238.287 2.739 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@@H]2C[C@@H]3OCCC[C@@H]23)cc1 ZINC000302523417 388847196 /nfs/dbraw/zinc/84/71/96/388847196.db2.gz CICIWSFUFHLGNP-XQQFMLRXSA-N 0 0 248.282 2.574 20 5 BFBDRN C[C@H]1CCCCN1c1ccccc1[N+](=O)[O-] ZINC000039223774 132350489 /nfs/dbraw/zinc/35/04/89/132350489.db2.gz OWNIXNNFBXFZPJ-JTQLQIEISA-N 0 0 220.272 2.974 20 5 BFBDRN O=[N+]([O-])c1ccc(OCC2CCC2)c(F)c1 ZINC000172918182 322816121 /nfs/dbraw/zinc/81/61/21/322816121.db2.gz ICIRYPSUQRTNNY-UHFFFAOYSA-N 0 0 225.219 2.913 20 5 BFBDRN C[C@H]1CC[C@H](C)N(c2ccc([N+](=O)[O-])cn2)C1 ZINC000266432573 132186812 /nfs/dbraw/zinc/18/68/12/132186812.db2.gz DOVYUXYFWKNBTE-UWVGGRQHSA-N 0 0 235.287 2.615 20 5 BFBDRN Cc1nc(N2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000268479672 132192346 /nfs/dbraw/zinc/19/23/46/132192346.db2.gz LBHOZBKOLMVCKL-VIFPVBQESA-N 0 0 235.287 2.535 20 5 BFBDRN Cc1nc(N2C[C@@H](C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000268498439 132192388 /nfs/dbraw/zinc/19/23/88/132192388.db2.gz PRRHFDRPNMATGW-UWVGGRQHSA-N 0 0 249.314 2.923 20 5 BFBDRN Cc1nc(N2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000268503732 132192392 /nfs/dbraw/zinc/19/23/92/132192392.db2.gz 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/nfs/dbraw/zinc/20/35/42/132203542.db2.gz HYJBFNNVXMTMGE-UHFFFAOYSA-N 0 0 248.282 2.760 20 5 BFBDRN CC1=CCCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000280781799 132210979 /nfs/dbraw/zinc/21/09/79/132210979.db2.gz PNHCMHKLAFZMNF-UHFFFAOYSA-N 0 0 236.246 2.890 20 5 BFBDRN Cc1cnc(N2CCC(C)=C(C)C2)c([N+](=O)[O-])c1 ZINC000281000923 132211340 /nfs/dbraw/zinc/21/13/40/132211340.db2.gz NYZICSXJDFPFHM-UHFFFAOYSA-N 0 0 247.298 2.845 20 5 BFBDRN CCC1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000282263464 132212025 /nfs/dbraw/zinc/21/20/25/132212025.db2.gz SLCXSDXUXHONLK-UHFFFAOYSA-N 0 0 249.314 2.803 20 5 BFBDRN O=[N+]([O-])c1cccc(F)c1N1CCC=C(F)C1 ZINC000286493862 132215182 /nfs/dbraw/zinc/21/51/82/132215182.db2.gz MJUCBPZNGZLJHI-UHFFFAOYSA-N 0 0 240.209 2.797 20 5 BFBDRN C[C@H]1CCN(c2ccc(N)cc2[N+](=O)[O-])C[C@H]1C ZINC000286517592 132215267 /nfs/dbraw/zinc/21/52/67/132215267.db2.gz OAPDNHOUIPJKNG-VHSXEESVSA-N 0 0 249.314 2.659 20 5 BFBDRN C[C@]1(F)CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000294881054 132219685 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134369144 /nfs/dbraw/zinc/36/91/44/134369144.db2.gz KIYBYKWDPKTLKZ-BQBZGAKWSA-N 0 0 227.289 2.652 20 5 BFBDRN O=[N+]([O-])c1ccc(NCC2(C3CC3)CC2)cn1 ZINC000228664963 134421154 /nfs/dbraw/zinc/42/11/54/134421154.db2.gz LHKRLJWCQIBSCX-UHFFFAOYSA-N 0 0 233.271 2.592 20 5 BFBDRN Cc1nc(NC[C@H]2CC2(C)C)ccc1[N+](=O)[O-] ZINC000230184728 134487436 /nfs/dbraw/zinc/48/74/36/134487436.db2.gz WNQCSTRZZWGWFA-SECBINFHSA-N 0 0 235.287 2.756 20 5 BFBDRN C[C@@H]1CC[C@@H](Nc2ccncc2[N+](=O)[O-])C1 ZINC000129613958 134612331 /nfs/dbraw/zinc/61/23/31/134612331.db2.gz WQMCBKXIZYJVQI-RKDXNWHRSA-N 0 0 221.260 2.590 20 5 BFBDRN Cc1cc(N[C@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000049840513 134639479 /nfs/dbraw/zinc/63/94/79/134639479.db2.gz VKIPYPYMAGDAHM-JTQLQIEISA-N 0 0 238.312 2.821 20 5 BFBDRN O=[N+]([O-])c1cc(Cl)cnc1NC1CC=CC1 ZINC000154025046 134660926 /nfs/dbraw/zinc/66/09/26/134660926.db2.gz AUOXRQOHGGZFPH-UHFFFAOYSA-N 0 0 239.662 2.774 20 5 BFBDRN C[C@H]1C[C@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000136088459 134763128 /nfs/dbraw/zinc/76/31/28/134763128.db2.gz LEDVXIQATWVUBY-YUMQZZPRSA-N 0 0 224.235 2.802 20 5 BFBDRN C[C@H]1CCC[C@H]1Nc1ccncc1[N+](=O)[O-] ZINC000070833086 134923911 /nfs/dbraw/zinc/92/39/11/134923911.db2.gz HRFPUXMKVKKUMN-DTWKUNHWSA-N 0 0 221.260 2.590 20 5 BFBDRN CCSCCOc1ccccc1[N+](=O)[O-] ZINC000079376684 135309604 /nfs/dbraw/zinc/30/96/04/135309604.db2.gz OUSORAVCXUWASQ-UHFFFAOYSA-N 0 0 227.285 2.727 20 5 BFBDRN C[C@H]1CC[C@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000334224020 135329162 /nfs/dbraw/zinc/32/91/62/135329162.db2.gz ALWAQUNBQBDBLM-GZMMTYOYSA-N 0 0 249.270 2.515 20 5 BFBDRN O=[N+]([O-])c1cnccc1N[C@H]1CC=CCC1 ZINC000080119892 135367210 /nfs/dbraw/zinc/36/72/10/135367210.db2.gz XCGMHHDORUNRST-VIFPVBQESA-N 0 0 219.244 2.510 20 5 BFBDRN CC(C)[C@@H](C)CNc1ncccc1[N+](=O)[O-] ZINC000081070016 135385705 /nfs/dbraw/zinc/38/57/05/135385705.db2.gz WCNZLMAJPBPJCE-VIFPVBQESA-N 0 0 223.276 2.694 20 5 BFBDRN O=[N+]([O-])c1ccc(NCCC2CC2)c(F)c1 ZINC000083911045 135461316 /nfs/dbraw/zinc/46/13/16/135461316.db2.gz DETSJKUQOXCIIV-UHFFFAOYSA-N 0 0 224.235 2.946 20 5 BFBDRN O=[N+]([O-])c1cnn(C[C@H]2CCc3ccccc32)c1 ZINC000334963712 135852018 /nfs/dbraw/zinc/85/20/18/135852018.db2.gz CSPJGMXRQARCSU-LLVKDONJSA-N 0 0 243.266 2.521 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]2C(F)F)cc1 ZINC000348224386 136047465 /nfs/dbraw/zinc/04/74/65/136047465.db2.gz RTHAJVKPTMXMLL-RKDXNWHRSA-N 0 0 228.198 2.660 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@@H]2C[C@@H]2C(F)F)cc1 ZINC000348224381 136047579 /nfs/dbraw/zinc/04/75/79/136047579.db2.gz RTHAJVKPTMXMLL-DTWKUNHWSA-N 0 0 228.198 2.660 20 5 BFBDRN CCN(C(=O)c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000348308095 136066093 /nfs/dbraw/zinc/06/60/93/136066093.db2.gz OAPKEOLVPOWWBX-UHFFFAOYSA-N 0 0 248.282 2.609 20 5 BFBDRN CCC[C@@H](CC)Nc1ncccc1[N+](=O)[O-] ZINC000050164801 322849107 /nfs/dbraw/zinc/84/91/07/322849107.db2.gz BAGKIIKQOKCPHT-SECBINFHSA-N 0 0 223.276 2.980 20 5 BFBDRN CC/C=C(\C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000207102877 397801799 /nfs/dbraw/zinc/80/17/99/397801799.db2.gz WGUFBDWCJWGNBT-WEVVVXLNSA-N 0 0 234.255 2.890 20 5 BFBDRN O=[N+]([O-])c1cccnc1SC1CCC1 ZINC000292410264 397911062 /nfs/dbraw/zinc/91/10/62/397911062.db2.gz JVZTYLQCTZZMGT-UHFFFAOYSA-N 0 0 210.258 2.634 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CCCCC2)n1 ZINC000408170196 397972507 /nfs/dbraw/zinc/97/25/07/397972507.db2.gz CZZGVDZMUABGLQ-UHFFFAOYSA-N 0 0 235.287 2.597 20 5 BFBDRN CN(CC1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000341722010 398064551 /nfs/dbraw/zinc/06/45/51/398064551.db2.gz MXDHLZPJLJCAME-UHFFFAOYSA-N 0 0 224.235 2.580 20 5 BFBDRN CC[C@@H](C)[C@@H](C)Nc1cccnc1[N+](=O)[O-] ZINC000156966643 398092997 /nfs/dbraw/zinc/09/29/97/398092997.db2.gz KNBZDYLCABLJQN-RKDXNWHRSA-N 0 0 223.276 2.836 20 5 BFBDRN C[C@H]1CC2(CCC2)CN1c1ccc([N+](=O)[O-])nc1 ZINC000432851184 398067446 /nfs/dbraw/zinc/06/74/46/398067446.db2.gz NCFYMTYDOGRFQE-JTQLQIEISA-N 0 0 247.298 2.759 20 5 BFBDRN CC(C)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000037378905 398094328 /nfs/dbraw/zinc/09/43/28/398094328.db2.gz ZDVWMACVVWKKNU-UHFFFAOYSA-N 0 0 231.255 2.963 20 5 BFBDRN CC/C=C/CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000296206036 398090044 /nfs/dbraw/zinc/09/00/44/398090044.db2.gz DVYCAGOATLSKKN-ONEGZZNKSA-N 0 0 249.270 2.683 20 5 BFBDRN CC(=O)[C@@H](C)SCc1csc([N+](=O)[O-])c1 ZINC000360725263 398109535 /nfs/dbraw/zinc/10/95/35/398109535.db2.gz JLJXKYPFLNGYDT-SSDOTTSWSA-N 0 0 245.325 2.867 20 5 BFBDRN CC(=O)c1cc(NC[C@H]2C[C@H]2C)ccc1[N+](=O)[O-] ZINC000288536525 166447770 /nfs/dbraw/zinc/44/77/70/166447770.db2.gz SBUJABYBUXKTRW-PSASIEDQSA-N 0 0 248.282 2.865 20 5 BFBDRN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H]1C ZINC000061569818 166447939 /nfs/dbraw/zinc/44/79/39/166447939.db2.gz QLRRBVQEIFPUQO-SECBINFHSA-N 0 0 248.282 2.786 20 5 BFBDRN Cc1cnc(COc2ccc(C)cc2[N+](=O)[O-])o1 ZINC000133890075 411189424 /nfs/dbraw/zinc/18/94/24/411189424.db2.gz IWBQWASAINPINK-UHFFFAOYSA-N 0 0 248.238 2.779 20 5 BFBDRN CN(c1ncccc1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC000112965555 411221794 /nfs/dbraw/zinc/22/17/94/411221794.db2.gz FRKGZESIYUNIHM-UHFFFAOYSA-N 0 0 247.298 2.615 20 5 BFBDRN Cc1ccsc1CNc1ccc([N+](=O)[O-])nc1 ZINC000075607283 411222362 /nfs/dbraw/zinc/22/23/62/411222362.db2.gz TWELYWSLNVOBQQ-UHFFFAOYSA-N 0 0 249.295 2.972 20 5 BFBDRN CC1(CNc2ccc([N+](=O)[O-])nc2)CCCC1 ZINC000111621680 168048251 /nfs/dbraw/zinc/04/82/51/168048251.db2.gz FWWDYVQRTSMMLY-UHFFFAOYSA-N 0 0 235.287 2.982 20 5 BFBDRN CC1(CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000280015844 168020164 /nfs/dbraw/zinc/02/01/64/168020164.db2.gz MDIUDVWFQUSXJF-UHFFFAOYSA-N 0 0 248.282 2.515 20 5 BFBDRN CC1(NC(=O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000049123913 168061180 /nfs/dbraw/zinc/06/11/80/168061180.db2.gz AUGQVVVIDZVPDC-UHFFFAOYSA-N 0 0 248.282 2.657 20 5 BFBDRN CCC(C)(C)CCn1cc([N+](=O)[O-])cn1 ZINC000361442616 168278488 /nfs/dbraw/zinc/27/84/88/168278488.db2.gz KCXDOAMOBVMKOM-UHFFFAOYSA-N 0 0 211.265 2.618 20 5 BFBDRN CCC(C)(C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000042567449 168298214 /nfs/dbraw/zinc/29/82/14/168298214.db2.gz RNDKKVZOGFUUBN-UHFFFAOYSA-N 0 0 242.300 2.575 20 5 BFBDRN CCOC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000199837885 170182577 /nfs/dbraw/zinc/18/25/77/170182577.db2.gz MMMHCLCYSGLACG-HJWRWDBZSA-N 0 0 235.239 2.561 20 5 BFBDRN CCOCCCNc1c(F)cccc1[N+](=O)[O-] ZINC000287024724 170382909 /nfs/dbraw/zinc/38/29/09/170382909.db2.gz QNIQEFBAPSUUQN-UHFFFAOYSA-N 0 0 242.250 2.572 20 5 BFBDRN CCOCCCNc1ccc([N+](=O)[O-])c(C)c1 ZINC000035277398 170384204 /nfs/dbraw/zinc/38/42/04/170384204.db2.gz KDULCKQUYWZZNF-UHFFFAOYSA-N 0 0 238.287 2.742 20 5 BFBDRN CC[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000301579447 171014590 /nfs/dbraw/zinc/01/45/90/171014590.db2.gz SGSWEZILBYWKBZ-SNVBAGLBSA-N 0 0 220.272 2.831 20 5 BFBDRN CC[C@@H]1CCN1C(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000336284904 171020883 /nfs/dbraw/zinc/02/08/83/171020883.db2.gz GETVKISYNIOZRD-SNVBAGLBSA-N 0 0 248.282 2.528 20 5 BFBDRN CC[C@@H]1CC[C@@H](C)N1c1ccc([N+](=O)[O-])cn1 ZINC000271453169 171038071 /nfs/dbraw/zinc/03/80/71/171038071.db2.gz QBCJEMKVEOBRNM-NXEZZACHSA-N 0 0 235.287 2.757 20 5 BFBDRN CC[C@@H]1[C@@H](C)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000302396030 171158012 /nfs/dbraw/zinc/15/80/12/171158012.db2.gz KCPCCGWJGDDTCD-GXSJLCMTSA-N 0 0 235.287 2.615 20 5 BFBDRN CC[C@@H]1[C@@H](C)CCN1c1ncc(C)cc1[N+](=O)[O-] ZINC000274788418 171158285 /nfs/dbraw/zinc/15/82/85/171158285.db2.gz XWXBKNFVUCFDES-WDEREUQCSA-N 0 0 249.314 2.923 20 5 BFBDRN CC[C@@H]1[C@H](C)CCN1c1ncc(C)cc1[N+](=O)[O-] ZINC000274788408 171160546 /nfs/dbraw/zinc/16/05/46/171160546.db2.gz XWXBKNFVUCFDES-GHMZBOCLSA-N 0 0 249.314 2.923 20 5 BFBDRN CC[C@H](C)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000078149223 171248862 /nfs/dbraw/zinc/24/88/62/171248862.db2.gz PBHNPAANFLHYOO-VIFPVBQESA-N 0 0 248.282 2.530 20 5 BFBDRN CC[C@H](C)CONc1ccccc1[N+](=O)[O-] ZINC000291662404 171290060 /nfs/dbraw/zinc/29/00/60/171290060.db2.gz CWBFKALERLEKRR-VIFPVBQESA-N 0 0 224.260 2.984 20 5 BFBDRN CC[C@H](C)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352351079 171319976 /nfs/dbraw/zinc/31/99/76/171319976.db2.gz SONWQLVWSWJCRY-VIFPVBQESA-N 0 0 245.282 2.775 20 5 BFBDRN CC[C@H](C)Sc1ncccc1[N+](=O)[O-] ZINC000298208196 171356947 /nfs/dbraw/zinc/35/69/47/171356947.db2.gz RJNBINSRGYYVDL-ZETCQYMHSA-N 0 0 212.274 2.880 20 5 BFBDRN CC[C@H](CNc1ccc(F)cc1[N+](=O)[O-])OC ZINC000290754859 171441338 /nfs/dbraw/zinc/44/13/38/171441338.db2.gz SXSBQHQJXVLFCR-SECBINFHSA-N 0 0 242.250 2.571 20 5 BFBDRN CCn1nc(C)c([N+](=O)[O-])c1NCC(C)(C)C ZINC000091558535 172248238 /nfs/dbraw/zinc/24/82/38/172248238.db2.gz ZUTJHMONDHVGRB-UHFFFAOYSA-N 0 0 240.307 2.578 20 5 BFBDRN CN(C(=O)C=C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000158546671 172300762 /nfs/dbraw/zinc/30/07/62/172300762.db2.gz ZWKISWPCOLURQW-UHFFFAOYSA-N 0 0 246.266 2.668 20 5 BFBDRN CNc1ccc(Nc2ccccc2[N+](=O)[O-])cn1 ZINC000048608246 173480207 /nfs/dbraw/zinc/48/02/07/173480207.db2.gz SJXFBIIQYCTVJF-UHFFFAOYSA-N 0 0 244.254 2.775 20 5 BFBDRN COCCCCCOc1ccc([N+](=O)[O-])cc1 ZINC000116610043 174185790 /nfs/dbraw/zinc/18/57/90/174185790.db2.gz LLOOKAOVBLTPCN-UHFFFAOYSA-N 0 0 239.271 2.790 20 5 BFBDRN COCCCCNc1cc(C)ccc1[N+](=O)[O-] ZINC000084726464 174203381 /nfs/dbraw/zinc/20/33/81/174203381.db2.gz RGBYHTQCTKMFNR-UHFFFAOYSA-N 0 0 238.287 2.742 20 5 BFBDRN COCCCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000036922731 174251778 /nfs/dbraw/zinc/25/17/78/174251778.db2.gz CVNOWYKQJBPJHZ-UHFFFAOYSA-N 0 0 244.678 2.697 20 5 BFBDRN COCCCSCc1ccccc1[N+](=O)[O-] ZINC000187941906 174259112 /nfs/dbraw/zinc/25/91/12/174259112.db2.gz JJJBMLRPZZWPNJ-UHFFFAOYSA-N 0 0 241.312 2.865 20 5 BFBDRN COCCSc1c(F)cc([N+](=O)[O-])cc1F ZINC000269664393 174376172 /nfs/dbraw/zinc/37/61/72/174376172.db2.gz VFINCMBGAHUBLF-UHFFFAOYSA-N 0 0 249.238 2.612 20 5 BFBDRN COCCSCc1ccc([N+](=O)[O-])cc1F ZINC000267042583 174376590 /nfs/dbraw/zinc/37/65/90/174376590.db2.gz NKCIQAQYVNEKSJ-UHFFFAOYSA-N 0 0 245.275 2.614 20 5 BFBDRN COCC[C@H](C)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000045022764 174409016 /nfs/dbraw/zinc/40/90/16/174409016.db2.gz OHPNRGLJBKAIOM-JTQLQIEISA-N 0 0 238.287 2.740 20 5 BFBDRN COc1cc(NCC[C@@H](C)F)ccc1[N+](=O)[O-] ZINC000338750378 175002369 /nfs/dbraw/zinc/00/23/69/175002369.db2.gz LUZAKBXZYMOSOB-MRVPVSSYSA-N 0 0 242.250 2.763 20 5 BFBDRN CSCCCOc1ccc([N+](=O)[O-])cc1F ZINC000153802739 175489838 /nfs/dbraw/zinc/48/98/38/175489838.db2.gz ZXVJXICDTUCTFB-UHFFFAOYSA-N 0 0 245.275 2.866 20 5 BFBDRN CSCCNc1ccc(F)cc1[N+](=O)[O-] ZINC000135721579 175499094 /nfs/dbraw/zinc/49/90/94/175499094.db2.gz MLCXARXFUITUFE-UHFFFAOYSA-N 0 0 230.264 2.509 20 5 BFBDRN C[C@@H](SCCCO)c1cccc([N+](=O)[O-])c1 ZINC000298264390 176008144 /nfs/dbraw/zinc/00/81/44/176008144.db2.gz OTHCDFYSRYRRKM-SECBINFHSA-N 0 0 241.312 2.771 20 5 BFBDRN C[C@@H]1CCCCCN1c1ncc([N+](=O)[O-])s1 ZINC000337015966 176063250 /nfs/dbraw/zinc/06/32/50/176063250.db2.gz LPMOANPLDUKSIR-MRVPVSSYSA-N 0 0 241.316 2.820 20 5 BFBDRN C[C@@H]1CCCCCN1c1ncccc1[N+](=O)[O-] ZINC000301282092 176063997 /nfs/dbraw/zinc/06/39/97/176063997.db2.gz MZCGGBCKCKWASX-SNVBAGLBSA-N 0 0 235.287 2.759 20 5 BFBDRN C[C@@H]1CCCC[C@@H]1Nc1ccncc1[N+](=O)[O-] ZINC000020370325 176081422 /nfs/dbraw/zinc/08/14/22/176081422.db2.gz YYPXELOOOLRHNG-ZJUUUORDSA-N 0 0 235.287 2.980 20 5 BFBDRN C[C@@H]1CCCN(c2ncc([N+](=O)[O-])s2)[C@@H]1C ZINC000192464104 176104497 /nfs/dbraw/zinc/10/44/97/176104497.db2.gz DSEXJCLZOVMHGB-HTQZYQBOSA-N 0 0 241.316 2.676 20 5 BFBDRN C[C@@H]1CCC[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000070833043 176132964 /nfs/dbraw/zinc/13/29/64/176132964.db2.gz NILUGDITNRASGD-BDAKNGLRSA-N 0 0 221.260 2.590 20 5 BFBDRN C[C@@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000070832864 176133270 /nfs/dbraw/zinc/13/32/70/176133270.db2.gz RNSXTDZMCNKEOH-SCZZXKLOSA-N 0 0 221.260 2.590 20 5 BFBDRN C[C@@H]1CCN(c2cccc(F)c2[N+](=O)[O-])[C@@H]1C ZINC000267642379 176182008 /nfs/dbraw/zinc/18/20/08/176182008.db2.gz LBSJXAPJCLSGKY-RKDXNWHRSA-N 0 0 238.262 2.969 20 5 BFBDRN C[C@@H]1CC[C@@H](OC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000272377631 176215581 /nfs/dbraw/zinc/21/55/81/176215581.db2.gz 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/nfs/dbraw/zinc/67/34/16/585673416.db2.gz TXPYNVGJSOLWFC-UHFFFAOYSA-N 0 0 231.704 2.850 20 5 BFBDRN Cc1ncc([N+](=O)[O-])n1Cc1ccc(CF)cc1 ZINC000777534833 585714233 /nfs/dbraw/zinc/71/42/33/585714233.db2.gz JFBRNMYUNMIYOY-UHFFFAOYSA-N 0 0 249.245 2.618 20 5 BFBDRN Cc1ccc(N2CC=CCC2)c([N+](=O)[O-])c1 ZINC000778591460 585737807 /nfs/dbraw/zinc/73/78/07/585737807.db2.gz FMWFVFNOEWQQPP-UHFFFAOYSA-N 0 0 218.256 2.670 20 5 BFBDRN C[C@@H]1CC[C@@H](OC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000779265105 585749348 /nfs/dbraw/zinc/74/93/48/585749348.db2.gz QLKVAWFCIAHENI-NXEZZACHSA-N 0 0 249.266 2.940 20 5 BFBDRN CCON(C)c1ccc([N+](=O)[O-])cc1Cl ZINC000780658027 585782810 /nfs/dbraw/zinc/78/28/10/585782810.db2.gz FXYSKYAZFYCSER-UHFFFAOYSA-N 0 0 230.651 2.636 20 5 BFBDRN Cc1cc(COC(=O)C2=CCC2)ccc1[N+](=O)[O-] ZINC000781170883 585792163 /nfs/dbraw/zinc/79/21/63/585792163.db2.gz CDAZLFBTAXNTLU-UHFFFAOYSA-N 0 0 247.250 2.667 20 5 BFBDRN CCCNC(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000783700843 585840645 /nfs/dbraw/zinc/84/06/45/585840645.db2.gz POSQLJUTTSXYAU-MDZDMXLPSA-N 0 0 248.282 2.524 20 5 BFBDRN CC(C)[C@@H](F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000784023334 585847298 /nfs/dbraw/zinc/84/72/98/585847298.db2.gz BHLFFBPWAGCVBW-SNVBAGLBSA-N 0 0 240.234 2.527 20 5 BFBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000786559021 585895081 /nfs/dbraw/zinc/89/50/81/585895081.db2.gz DHRJFSRLHVCBFL-NXEZZACHSA-N 0 0 249.314 2.659 20 5 BFBDRN C[C@H](CCO)S/C=C\c1ccc([N+](=O)[O-])o1 ZINC000789922164 585953097 /nfs/dbraw/zinc/95/30/97/585953097.db2.gz OVWQTARDGZWYPC-GRKOMRHMSA-N 0 0 243.284 2.663 20 5 BFBDRN O=[N+]([O-])c1ccc(/C=C\Sc2cnccn2)o1 ZINC000789920368 585953186 /nfs/dbraw/zinc/95/31/86/585953186.db2.gz BCFBNDYOIPORGA-UTCJRWHESA-N 0 0 249.251 2.741 20 5 BFBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)OCC1(C)CC1 ZINC000790803626 585968687 /nfs/dbraw/zinc/96/86/87/585968687.db2.gz BFWLICQMEVROBL-UHFFFAOYSA-N 0 0 249.266 2.860 20 5 BFBDRN C[C@H](c1cccc(Cl)c1)N(C)CC[N+](=O)[O-] ZINC000791053794 585973471 /nfs/dbraw/zinc/97/34/71/585973471.db2.gz PNTYJAFDMOTHIB-SECBINFHSA-N 0 0 242.706 2.610 20 5 BFBDRN CCSCOc1cc(C)ccc1[N+](=O)[O-] ZINC000791436546 585980585 /nfs/dbraw/zinc/98/05/85/585980585.db2.gz DRDVREMZWDVEOD-UHFFFAOYSA-N 0 0 227.285 2.993 20 5 BFBDRN Cc1ccc(N2[C@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000795192570 586071215 /nfs/dbraw/zinc/07/12/15/586071215.db2.gz CXIZXXJVOJWNNN-AOOOYVTPSA-N 0 0 220.272 2.890 20 5 BFBDRN O=[N+]([O-])c1ccc(NCc2cccnc2F)cc1 ZINC000795228696 586072869 /nfs/dbraw/zinc/07/28/69/586072869.db2.gz INVDXJIPBNTUQS-UHFFFAOYSA-N 0 0 247.229 2.741 20 5 BFBDRN O=[N+]([O-])c1sccc1N1CCC(F)(F)CC1 ZINC000795273795 586074273 /nfs/dbraw/zinc/07/42/73/586074273.db2.gz GHRPRCLKCLOAMV-UHFFFAOYSA-N 0 0 248.254 2.892 20 5 BFBDRN C[C@@H]1C[C@H](C)N1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801554542 586261750 /nfs/dbraw/zinc/26/17/50/586261750.db2.gz KGNBYCOFLKBDLT-DTORHVGOSA-N 0 0 238.262 2.717 20 5 BFBDRN CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1C[C@H]1C ZINC000804380042 586393390 /nfs/dbraw/zinc/39/33/90/586393390.db2.gz FAQXQIPZCGWVFI-SCZZXKLOSA-N 0 0 248.282 2.865 20 5 BFBDRN CC[C@@H](C)CN(C)c1ccc(N)cc1[N+](=O)[O-] ZINC000804445849 586396240 /nfs/dbraw/zinc/39/62/40/586396240.db2.gz QYCPDFBOWNDLPW-SECBINFHSA-N 0 0 237.303 2.659 20 5 BFBDRN Nc1ccc(OCC2CCCC2)cc1[N+](=O)[O-] ZINC000808257005 586469056 /nfs/dbraw/zinc/46/90/56/586469056.db2.gz YZMJTLLVNFSPKN-UHFFFAOYSA-N 0 0 236.271 2.746 20 5 BFBDRN Cc1cc([N+](=O)[O-])ccc1N1CCC2(CC2)C1 ZINC000811842940 586567702 /nfs/dbraw/zinc/56/77/02/586567702.db2.gz QRDVDMDSLCGFRY-UHFFFAOYSA-N 0 0 232.283 2.894 20 5 BFBDRN CCCC(=CC(=O)OC[C@H](C)[N+](=O)[O-])CCC ZINC000813103251 586592066 /nfs/dbraw/zinc/59/20/66/586592066.db2.gz BEVIABKTBSNDOU-JTQLQIEISA-N 0 0 243.303 2.721 20 5 BFBDRN C[C@H](CCC(C)(C)C)C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813105769 586592658 /nfs/dbraw/zinc/59/26/58/586592658.db2.gz UJGGNBUKTZYAGZ-NXEZZACHSA-N 0 0 245.319 2.657 20 5 BFBDRN CCCC[C@@H](CC)CC(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813110055 586593394 /nfs/dbraw/zinc/59/33/94/586593394.db2.gz ZCGHVDLTGARTKN-GHMZBOCLSA-N 0 0 245.319 2.801 20 5 BFBDRN CCCCC[C@@H](CC)C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813112249 586593460 /nfs/dbraw/zinc/59/34/60/586593460.db2.gz DRPFVUOFLXBEMR-GHMZBOCLSA-N 0 0 245.319 2.801 20 5 BFBDRN CCCCC[C@H](CC)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813112252 586593558 /nfs/dbraw/zinc/59/35/58/586593558.db2.gz DRPFVUOFLXBEMR-QWRGUYRKSA-N 0 0 245.319 2.801 20 5 BFBDRN Cc1cccc(C(=O)OC2CC(C)C2)c1[N+](=O)[O-] ZINC000813229236 586597616 /nfs/dbraw/zinc/59/76/16/586597616.db2.gz GIOFSSMWAGNDHH-UHFFFAOYSA-N 0 0 249.266 2.859 20 5 BFBDRN C[C@H](C[N+](=O)[O-])OC(=O)C1CCCCCCC1 ZINC000814038386 586612153 /nfs/dbraw/zinc/61/21/53/586612153.db2.gz CCCDBSHMYRKIJK-SNVBAGLBSA-N 0 0 243.303 2.555 20 5 BFBDRN C[C@@H](C[N+](=O)[O-])OC(=O)[C@@H](C)CCC(C)(C)C ZINC000814046666 586612930 /nfs/dbraw/zinc/61/29/30/586612930.db2.gz NGRKHEPTGUZUFI-UWVGGRQHSA-N 0 0 245.319 2.657 20 5 BFBDRN CCSCOc1ccc(C)c([N+](=O)[O-])c1 ZINC000814756292 586632454 /nfs/dbraw/zinc/63/24/54/586632454.db2.gz RTNYCFWCNDRUBL-UHFFFAOYSA-N 0 0 227.285 2.993 20 5 BFBDRN C=C=CCNc1ccc(C)cc1[N+](=O)[O-] ZINC000820586958 587056668 /nfs/dbraw/zinc/05/66/68/587056668.db2.gz ZIDXHIMKTUPNJQ-UHFFFAOYSA-N 0 0 204.229 2.656 20 5 BFBDRN C=C=CCNc1ccc([N+](=O)[O-])c(C)c1 ZINC000820586713 587056895 /nfs/dbraw/zinc/05/68/95/587056895.db2.gz OIIMGDLBCVLVLF-UHFFFAOYSA-N 0 0 204.229 2.656 20 5 BFBDRN C/C(=C/c1cccc([N+](=O)[O-])c1)c1ncccn1 ZINC000821017682 587088424 /nfs/dbraw/zinc/08/84/24/587088424.db2.gz LOKYHLSLBVCWIW-NTMALXAHSA-N 0 0 241.250 2.945 20 5 BFBDRN CC(C)(CCC(=O)O[C@@H]1CCC1(C)C)[N+](=O)[O-] ZINC000821828516 587141037 /nfs/dbraw/zinc/14/10/37/587141037.db2.gz MWQKJTTXSGNDKV-SECBINFHSA-N 0 0 243.303 2.554 20 5 BFBDRN CCc1nc(CNc2ccc([N+](=O)[O-])cc2)co1 ZINC000829178023 587486800 /nfs/dbraw/zinc/48/68/00/587486800.db2.gz ZDOALKDUZCESLK-UHFFFAOYSA-N 0 0 247.254 2.757 20 5 BFBDRN O=C(Oc1ccccc1[N+](=O)[O-])OC1CCC1 ZINC000829617678 587506442 /nfs/dbraw/zinc/50/64/42/587506442.db2.gz HLDYKKSLJKAUNC-UHFFFAOYSA-N 0 0 237.211 2.663 20 5 BFBDRN CC/C=C\CCOC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835091305 587782397 /nfs/dbraw/zinc/78/23/97/587782397.db2.gz JAUTYPSWLKUGSF-WAYWQWQTSA-N 0 0 243.303 2.721 20 5 BFBDRN CCC(C)(C)COC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835189934 587787668 /nfs/dbraw/zinc/78/76/68/587787668.db2.gz CKGGTJYVFDMBPH-UHFFFAOYSA-N 0 0 245.319 2.801 20 5 BFBDRN CCC[C@@H](CC)OC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835227156 587790215 /nfs/dbraw/zinc/79/02/15/587790215.db2.gz BFSYPUKXBPJGKB-SNVBAGLBSA-N 0 0 245.319 2.944 20 5 BFBDRN CCCC(=O)OCc1ccc(C)c([N+](=O)[O-])c1 ZINC000835484830 587804704 /nfs/dbraw/zinc/80/47/04/587804704.db2.gz YDSPEPPLRVHBCT-UHFFFAOYSA-N 0 0 237.255 2.747 20 5 BFBDRN C[C@H]1[C@@H](C)N(c2ccc(N)cc2[N+](=O)[O-])C[C@H]1C ZINC000842048815 587992903 /nfs/dbraw/zinc/99/29/03/587992903.db2.gz KTUWOSWXLPZZTL-OPRDCNLKSA-N 0 0 249.314 2.658 20 5 BFBDRN CNc1ccc([N+](=O)[O-])cc1NCCC1CC1 ZINC000843300813 588098220 /nfs/dbraw/zinc/09/82/20/588098220.db2.gz RCKCVOWPLIDPDY-UHFFFAOYSA-N 0 0 235.287 2.849 20 5 BFBDRN C/C=C(\C)C(=O)Nc1cc([N+](=O)[O-])ccc1NC ZINC000843965962 588152163 /nfs/dbraw/zinc/15/21/63/588152163.db2.gz IRQYVGMLLBBXCT-XBXARRHUSA-N 0 0 249.270 2.541 20 5 BFBDRN CC(C)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])s1 ZINC000849624296 588480928 /nfs/dbraw/zinc/48/09/28/588480928.db2.gz LQIOSTSSMGHYAS-ZETCQYMHSA-N 0 0 243.284 2.858 20 5 BFBDRN CCC(CC)[C@H](C)C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851126777 588592526 /nfs/dbraw/zinc/59/25/26/588592526.db2.gz HRSKDSVONABSIK-VIFPVBQESA-N 0 0 245.319 2.657 20 5 BFBDRN C/C(=C/C(C)(C)C)C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851128014 588592950 /nfs/dbraw/zinc/59/29/50/588592950.db2.gz DXNUHMHIDDYRCK-CLFYSBASSA-N 0 0 243.303 2.577 20 5 BFBDRN CC(C)(COC(=O)C1(C)CCCCC1)[N+](=O)[O-] ZINC000851128369 588593108 /nfs/dbraw/zinc/59/31/08/588593108.db2.gz SUXQAGQNXFQCQW-UHFFFAOYSA-N 0 0 243.303 2.555 20 5 BFBDRN C[C@@H](CC(=O)OCCC[N+](=O)[O-])CC(C)(C)C ZINC000860913709 589131317 /nfs/dbraw/zinc/13/13/17/589131317.db2.gz GBSXIAGDOUBUKK-JTQLQIEISA-N 0 0 245.319 2.659 20 5 BFBDRN CCCOCOc1cccc([N+](=O)[O-])c1C ZINC000863291939 589276749 /nfs/dbraw/zinc/27/67/49/589276749.db2.gz BYAPTNGIJUBYTD-UHFFFAOYSA-N 0 0 225.244 2.666 20 5 BFBDRN CC1(C)C[C@@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000120034690 589357793 /nfs/dbraw/zinc/35/77/93/589357793.db2.gz RNLIZUFWLZTGAJ-LLVKDONJSA-N 0 0 249.266 2.684 20 5 BFBDRN CC(C)(C)SCCCn1cnc([N+](=O)[O-])c1 ZINC000865351112 589423829 /nfs/dbraw/zinc/42/38/29/589423829.db2.gz WLYPQHAOQWGAQN-UHFFFAOYSA-N 0 0 243.332 2.713 20 5 BFBDRN CC(C)(C)SCCCn1nccc1[N+](=O)[O-] ZINC000865353434 589424305 /nfs/dbraw/zinc/42/43/05/589424305.db2.gz DVEQCFYBBNZLQV-UHFFFAOYSA-N 0 0 243.332 2.713 20 5 BFBDRN O=[N+]([O-])c1sccc1N1CCC=C(Cl)C1 ZINC000865905780 589467854 /nfs/dbraw/zinc/46/78/54/589467854.db2.gz VYOTXKFBHSJLGE-UHFFFAOYSA-N 0 0 244.703 2.989 20 5 BFBDRN Nc1ccc(N[C@H]2CCCC23CC3)c([N+](=O)[O-])c1 ZINC000865993654 589471731 /nfs/dbraw/zinc/47/17/31/589471731.db2.gz BJIBGXRQQYVVLR-LBPRGKRZSA-N 0 0 247.298 2.922 20 5 BFBDRN CC[C@@H](C[C@H](C)O)Nc1ccc([N+](=O)[O-])s1 ZINC000866299594 589484293 /nfs/dbraw/zinc/48/42/93/589484293.db2.gz LVWFGEJBRFQYKG-YUMQZZPRSA-N 0 0 244.316 2.618 20 5 BFBDRN CCON(CC)c1ccc([N+](=O)[O-])c(C)c1 ZINC000866307127 589485535 /nfs/dbraw/zinc/48/55/35/589485535.db2.gz RJCQUTLPUAFBLL-UHFFFAOYSA-N 0 0 224.260 2.681 20 5 BFBDRN C[C@@H]1C[C@H](C)CN1c1cccc(F)c1[N+](=O)[O-] ZINC000123453421 589719191 /nfs/dbraw/zinc/71/91/91/589719191.db2.gz UPNOYJDWAJLLPB-DTWKUNHWSA-N 0 0 238.262 2.969 20 5 BFBDRN Cc1conc1NCc1cccc([N+](=O)[O-])c1C ZINC000871863038 589827273 /nfs/dbraw/zinc/82/72/73/589827273.db2.gz SBCOXSWCERRZMD-UHFFFAOYSA-N 0 0 247.254 2.812 20 5 BFBDRN CC(C)[C@@H](C)OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000127959743 590852350 /nfs/dbraw/zinc/85/23/50/590852350.db2.gz CREHJMLLDAAZJL-SECBINFHSA-N 0 0 237.255 2.796 20 5 BFBDRN CCON(CC)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000879795746 590874309 /nfs/dbraw/zinc/87/43/09/590874309.db2.gz DUXYLJLZKXNSBY-SNVBAGLBSA-N 0 0 238.287 2.929 20 5 BFBDRN O=[N+]([O-])c1c(F)nccc1N1CCCCCC1 ZINC000881732675 591267766 /nfs/dbraw/zinc/26/77/66/591267766.db2.gz KDJMIFXWFKQRHC-UHFFFAOYSA-N 0 0 239.250 2.509 20 5 BFBDRN CC1(C)CC[C@H]1Nc1ccnc(F)c1[N+](=O)[O-] ZINC000882362485 591337835 /nfs/dbraw/zinc/33/78/35/591337835.db2.gz AKQLSAZJKJSYMY-MRVPVSSYSA-N 0 0 239.250 2.729 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(NC[C@H](C)C2CC2)n1 ZINC000130071951 591434875 /nfs/dbraw/zinc/43/48/75/591434875.db2.gz BYPMAVNXFPEJAH-QMMMGPOBSA-N 0 0 235.287 2.756 20 5 BFBDRN Cc1cc(N2CC[C@H](CF)C2)c([N+](=O)[O-])s1 ZINC000882839317 591450356 /nfs/dbraw/zinc/45/03/56/591450356.db2.gz NEUGARDARNRLNI-MRVPVSSYSA-N 0 0 244.291 2.761 20 5 BFBDRN O=C(NCCC1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000133503218 591806964 /nfs/dbraw/zinc/80/69/64/591806964.db2.gz QRFJPFWJCLDYKT-UHFFFAOYSA-N 0 0 248.282 2.515 20 5 BFBDRN Cc1ccc(N(C)CCCF)c([N+](=O)[O-])c1 ZINC000884856512 592024826 /nfs/dbraw/zinc/02/48/26/592024826.db2.gz DOJJQWCTQUQWJM-UHFFFAOYSA-N 0 0 226.251 2.699 20 5 BFBDRN Cc1cccc(NCc2ccon2)c1[N+](=O)[O-] ZINC000218864931 592188145 /nfs/dbraw/zinc/18/81/45/592188145.db2.gz SACJKGVUCVQBDX-UHFFFAOYSA-N 0 0 233.227 2.503 20 5 BFBDRN C/C=C/COC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000124954340 634449815 /nfs/dbraw/zinc/44/98/15/634449815.db2.gz NCWIRRCGAYOJBG-ONEGZZNKSA-N 0 0 235.239 2.636 20 5 BFBDRN CC(C)C(=O)O[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000066879521 634508464 /nfs/dbraw/zinc/50/84/64/634508464.db2.gz MWRADHVMUMDYLW-SECBINFHSA-N 0 0 237.255 2.855 20 5 BFBDRN CCCOC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000233218799 635529658 /nfs/dbraw/zinc/52/96/58/635529658.db2.gz AZSJNNCNMWYOKX-VIFPVBQESA-N 0 0 237.255 2.652 20 5 BFBDRN Cn1ncc([N+](=O)[O-])c1SC1CCCCC1 ZINC000891434381 631247112 /nfs/dbraw/zinc/24/71/12/631247112.db2.gz RRBJAYUKTYNMTO-UHFFFAOYSA-N 0 0 241.316 2.753 20 5 BFBDRN CCOCOc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000309028444 631809941 /nfs/dbraw/zinc/80/99/41/631809941.db2.gz ZRUZDAZPGGJQON-UHFFFAOYSA-N 0 0 231.635 2.621 20 5 BFBDRN C[C@H]1CC[C@@H]1Nc1cccc(F)c1[N+](=O)[O-] ZINC000309279054 631982146 /nfs/dbraw/zinc/98/21/46/631982146.db2.gz HMNCUZHDLBSRKP-CBAPKCEASA-N 0 0 224.235 2.944 20 5 BFBDRN C/C=C(\C)C(=O)Oc1ccc(C)cc1[N+](=O)[O-] ZINC000178785079 632078087 /nfs/dbraw/zinc/07/80/87/632078087.db2.gz PHJGNFZFAONLBJ-RUDMXATFSA-N 0 0 235.239 2.775 20 5 BFBDRN C/C=C\COC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000255661132 632682682 /nfs/dbraw/zinc/68/26/82/632682682.db2.gz SITNVCHPKSMPCE-ARJAWSKDSA-N 0 0 235.239 2.636 20 5 BFBDRN CC(C)COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000057951039 632762063 /nfs/dbraw/zinc/76/20/63/632762063.db2.gz OIMUSIZAGPTODM-VMPITWQZSA-N 0 0 249.266 2.807 20 5 BFBDRN CCC[C@H](C)OC(=O)c1ccccc1[N+](=O)[O-] ZINC000177739992 632871652 /nfs/dbraw/zinc/87/16/52/632871652.db2.gz PNYRDWSPWDNFHA-VIFPVBQESA-N 0 0 237.255 2.940 20 5 BFBDRN CC(C)=CC(=O)OCCc1ccccc1[N+](=O)[O-] ZINC000151250963 635889306 /nfs/dbraw/zinc/88/93/06/635889306.db2.gz RMLXPCYWMPHKGD-UHFFFAOYSA-N 0 0 249.266 2.647 20 5 BFBDRN C[Si](C)(C)COc1ccc([N+](=O)[O-])cc1 ZINC000196140003 634376995 /nfs/dbraw/zinc/37/69/95/634376995.db2.gz PRIJEEGCGBICFP-UHFFFAOYSA-N 0 0 225.320 2.851 20 5 BFBDRN C/C=C/COC(=O)c1cccc([N+](=O)[O-])c1C ZINC000073185337 635720531 /nfs/dbraw/zinc/72/05/31/635720531.db2.gz CRTGUYVJQNRGSC-ONEGZZNKSA-N 0 0 235.239 2.636 20 5 BFBDRN CCCN(CC)c1cccc(F)c1[N+](=O)[O-] ZINC000054269426 636297110 /nfs/dbraw/zinc/29/71/10/636297110.db2.gz SVHCORGIJARYFM-UHFFFAOYSA-N 0 0 226.251 2.970 20 5 BFBDRN O=[N+]([O-])c1ccc(/C=C/Sc2ncccn2)o1 ZINC000192749374 636954125 /nfs/dbraw/zinc/95/41/25/636954125.db2.gz GAYUWPZCXMWLND-QPJJXVBHSA-N 0 0 249.251 2.741 20 5 BFBDRN CC1(C)C=Cc2cccc(NCC[N+](=O)[O-])c2O1 ZINC000905404894 637797427 /nfs/dbraw/zinc/79/74/27/637797427.db2.gz PJIWUWYINDXSQA-UHFFFAOYSA-N 0 0 248.282 2.559 20 5 BFBDRN 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CCCC[C@@H](C)Oc1ncccc1[N+](=O)[O-] ZINC001225592065 974579604 /nfs/dbraw/zinc/57/96/04/974579604.db2.gz CQZRPLUPHXLOQW-SECBINFHSA-N 0 0 224.260 2.947 20 5 BFBDRN C[C@@H](Oc1ncccc1[N+](=O)[O-])C1CCC1 ZINC001225593518 974580645 /nfs/dbraw/zinc/58/06/45/974580645.db2.gz STVGVGORAGRHLQ-MRVPVSSYSA-N 0 0 222.244 2.557 20 5 BFBDRN C[C@@H](Oc1ncccc1[N+](=O)[O-])C1CCCC1 ZINC001225594079 974584050 /nfs/dbraw/zinc/58/40/50/974584050.db2.gz AYVBMOYFACEDDM-SECBINFHSA-N 0 0 236.271 2.947 20 5 BFBDRN C[C@@H]1CCCC[C@H]1Oc1cccnc1[N+](=O)[O-] ZINC001225628199 974605202 /nfs/dbraw/zinc/60/52/02/974605202.db2.gz DQIHRMRHJGZWSJ-NXEZZACHSA-N 0 0 236.271 2.947 20 5 BFBDRN C[C@@H](Oc1ccc([N+](=O)[O-])cn1)c1ccncc1 ZINC001225628586 974606042 /nfs/dbraw/zinc/60/60/42/974606042.db2.gz QGKARICPIONMBD-SECBINFHSA-N 0 0 245.238 2.525 20 5 BFBDRN C[C@@H](Oc1cccnc1[N+](=O)[O-])c1ccco1 ZINC001225631360 974607169 /nfs/dbraw/zinc/60/71/69/974607169.db2.gz DMFRFIQOALKDPQ-MRVPVSSYSA-N 0 0 234.211 2.723 20 5 BFBDRN C[C@@H]1CCC[C@@H](Oc2cccnc2[N+](=O)[O-])C1 ZINC001225630431 974608139 /nfs/dbraw/zinc/60/81/39/974608139.db2.gz YJCUMKAKNJSLBV-NXEZZACHSA-N 0 0 236.271 2.947 20 5 BFBDRN CCC[C@@H](CC)Oc1[nH]ccc(=O)c1[N+](=O)[O-] ZINC001225666378 974635562 /nfs/dbraw/zinc/63/55/62/974635562.db2.gz HPELHXNNTNNOAE-MRVPVSSYSA-N 0 0 240.259 2.653 20 5 BFBDRN CC[C@H](COC)Oc1cccc(F)c1[N+](=O)[O-] ZINC001225667162 974635921 /nfs/dbraw/zinc/63/59/21/974635921.db2.gz PRHDBKNHZKKIGD-MRVPVSSYSA-N 0 0 243.234 2.538 20 5 BFBDRN COc1ccc(OC2CC=CC2)c([N+](=O)[O-])c1 ZINC001225769633 974676187 /nfs/dbraw/zinc/67/61/87/974676187.db2.gz NRAPOVAQVVKXRU-UHFFFAOYSA-N 0 0 235.239 2.701 20 5 BFBDRN COc1ccc(O[C@@H](C)C2CC2)c([N+](=O)[O-])c1 ZINC001225767895 974676984 /nfs/dbraw/zinc/67/69/84/974676984.db2.gz VGKNWCBFJADYID-QMMMGPOBSA-N 0 0 237.255 2.781 20 5 BFBDRN CC(=O)[C@@H](C)Oc1cccc([N+](=O)[O-])c1Cl ZINC001225786707 974681893 /nfs/dbraw/zinc/68/18/93/974681893.db2.gz XHMZOSRYZRFSHW-SSDOTTSWSA-N 0 0 243.646 2.605 20 5 BFBDRN CCO[C@@H](C)COc1cccc([N+](=O)[O-])c1F ZINC001225797430 974686871 /nfs/dbraw/zinc/68/68/71/974686871.db2.gz VUHIKDZOFMYIMN-QMMMGPOBSA-N 0 0 243.234 2.538 20 5 BFBDRN CC(=O)c1ccc([N+](=O)[O-])c(OC2CC=CC2)c1 ZINC001225804637 974691165 /nfs/dbraw/zinc/69/11/65/974691165.db2.gz WGYIXMRVYHQPND-UHFFFAOYSA-N 0 0 247.250 2.895 20 5 BFBDRN CC[C@@H](COC)Oc1ccc(F)cc1[N+](=O)[O-] ZINC001225904294 974723013 /nfs/dbraw/zinc/72/30/13/974723013.db2.gz AYRLIBFMDHTJFN-VIFPVBQESA-N 0 0 243.234 2.538 20 5 BFBDRN CCOC[C@H](C)Oc1ccc([N+](=O)[O-])c(F)c1 ZINC001225911726 974724979 /nfs/dbraw/zinc/72/49/79/974724979.db2.gz ALXLDEKMRJUEHR-QMMMGPOBSA-N 0 0 243.234 2.538 20 5 BFBDRN O=[N+]([O-])c1ccc(F)c(F)c1OC1CC=CC1 ZINC001225958810 974744528 /nfs/dbraw/zinc/74/45/28/974744528.db2.gz FMVCZGKJZGZUDB-UHFFFAOYSA-N 0 0 241.193 2.970 20 5 BFBDRN CC(=O)c1ccc(O[C@H]2C=CCC2)c([N+](=O)[O-])c1 ZINC001226292621 974845098 /nfs/dbraw/zinc/84/50/98/974845098.db2.gz OCUCQDSBJIDRHR-NSHDSACASA-N 0 0 247.250 2.895 20 5 BFBDRN C[C@H](Oc1c(O)cccc1[N+](=O)[O-])C1CCC1 ZINC001226334934 974863694 /nfs/dbraw/zinc/86/36/94/974863694.db2.gz BSGPAWMEJMHGIT-QMMMGPOBSA-N 0 0 237.255 2.868 20 5 BFBDRN CCC[C@@H](C)Oc1cc(OC)c([N+](=O)[O-])cn1 ZINC001226580961 974964424 /nfs/dbraw/zinc/96/44/24/974964424.db2.gz HNEXBCCDLQEKME-MRVPVSSYSA-N 0 0 240.259 2.566 20 5 BFBDRN Nc1cccc(Nc2ccccc2[N+](=O)[O-])c1O ZINC001206187580 975016546 /nfs/dbraw/zinc/01/65/46/975016546.db2.gz IBBUVLIFSBOAFE-UHFFFAOYSA-N 0 0 245.238 2.626 20 5 BFBDRN O=[N+]([O-])c1ccc(O[C@@H]2C[C@H]3CC[C@@H]2C3)cn1 ZINC001226709495 975038547 /nfs/dbraw/zinc/03/85/47/975038547.db2.gz IPSOWIMZCIRMPL-IQJOONFLSA-N 0 0 234.255 2.557 20 5 BFBDRN C[C@@H]1CC[C@H](Oc2ccc([N+](=O)[O-])nc2)C1 ZINC001226709318 975039664 /nfs/dbraw/zinc/03/96/64/975039664.db2.gz HFQKARKDTPAQDW-BDAKNGLRSA-N 0 0 222.244 2.557 20 5 BFBDRN C[C@H]1CCC[C@@H]1Oc1ccc([N+](=O)[O-])nc1 ZINC001226710832 975041542 /nfs/dbraw/zinc/04/15/42/975041542.db2.gz WGVDCHBDHLMCNV-WPRPVWTQSA-N 0 0 222.244 2.557 20 5 BFBDRN O=[N+]([O-])c1ccc(O[C@@H]2CCCC[C@@H]2F)cn1 ZINC001226712479 975043928 /nfs/dbraw/zinc/04/39/28/975043928.db2.gz NFWDUJCOQUJVCM-VHSXEESVSA-N 0 0 240.234 2.649 20 5 BFBDRN C[C@H](Oc1ncc([N+](=O)[O-])cn1)c1ccccc1 ZINC001226731594 975052195 /nfs/dbraw/zinc/05/21/95/975052195.db2.gz PMRGORXKTWNVBA-VIFPVBQESA-N 0 0 245.238 2.525 20 5 BFBDRN C[C@H](Oc1ncc(F)cc1[N+](=O)[O-])C1CCC1 ZINC001226757050 975061063 /nfs/dbraw/zinc/06/10/63/975061063.db2.gz VTFIXQCTLKPCOQ-ZETCQYMHSA-N 0 0 240.234 2.696 20 5 BFBDRN Cc1cc([N+](=O)[O-])cnc1O[C@H](C)C(C)C ZINC001226761425 975062132 /nfs/dbraw/zinc/06/21/32/975062132.db2.gz HNNHBMGNCQNHKP-SECBINFHSA-N 0 0 224.260 2.722 20 5 BFBDRN Cc1cc(OC[C@@H]2CCC=CO2)ccc1[N+](=O)[O-] ZINC001226841824 975117843 /nfs/dbraw/zinc/11/78/43/975117843.db2.gz OWFLXRKTPJADBE-LBPRGKRZSA-N 0 0 249.266 2.975 20 5 BFBDRN Cc1cc(O[C@H]2CCCCC2=O)ccc1[N+](=O)[O-] ZINC001226843183 975118010 /nfs/dbraw/zinc/11/80/10/975118010.db2.gz GVUVEUSQNQPUNS-ZDUSSCGKSA-N 0 0 249.266 2.794 20 5 BFBDRN O=[N+]([O-])c1cnc(OC2CC=CC2)cc1Cl ZINC001226916462 975151622 /nfs/dbraw/zinc/15/16/22/975151622.db2.gz DJZCHWQYMGIRTC-UHFFFAOYSA-N 0 0 240.646 2.741 20 5 BFBDRN CCOC[C@@H](C)Oc1ccc(C)c([N+](=O)[O-])c1 ZINC001226950873 975181693 /nfs/dbraw/zinc/18/16/93/975181693.db2.gz PQZQIHZFHQQFQC-SNVBAGLBSA-N 0 0 239.271 2.707 20 5 BFBDRN Cc1cccc([N+](=O)[O-])c1O[C@@H]1CCCCC1=O ZINC001226970869 975195392 /nfs/dbraw/zinc/19/53/92/975195392.db2.gz FMYPUPVKRFZROF-GFCCVEGCSA-N 0 0 249.266 2.794 20 5 BFBDRN CC[C@@H](COC)Oc1c(C)cccc1[N+](=O)[O-] ZINC001226968216 975196137 /nfs/dbraw/zinc/19/61/37/975196137.db2.gz DIKHAJRDWSQCBJ-JTQLQIEISA-N 0 0 239.271 2.707 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(O[C@@H]2C[C@H]3CC[C@@H]2C3)n1 ZINC001227062796 975247247 /nfs/dbraw/zinc/24/72/47/975247247.db2.gz UAFBVJXJVUKAGD-HOSYDEDBSA-N 0 0 248.282 2.866 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(O[C@H]2C=CCCC2)n1 ZINC001227062644 975247922 /nfs/dbraw/zinc/24/79/22/975247922.db2.gz RUDJTOFFTUCUML-JTQLQIEISA-N 0 0 234.255 2.786 20 5 BFBDRN CCCOC[C@@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC001227523705 975500141 /nfs/dbraw/zinc/50/01/41/975500141.db2.gz QFOIXXPGHSAHNR-SNVBAGLBSA-N 0 0 239.271 2.789 20 5 BFBDRN O=[N+]([O-])c1ccc(OC[C@@H]2CCC=CO2)cc1 ZINC001227520712 975501364 /nfs/dbraw/zinc/50/13/64/975501364.db2.gz KENJZBQCOCETPU-LBPRGKRZSA-N 0 0 235.239 2.666 20 5 BFBDRN O=[N+]([O-])c1c(Cl)ccnc1OC1CCCC1 ZINC001228014315 975842984 /nfs/dbraw/zinc/84/29/84/975842984.db2.gz ICMRJOBZTRODFS-UHFFFAOYSA-N 0 0 242.662 2.965 20 5 BFBDRN O=[N+]([O-])C[C@@H](Oc1cccc2[nH]ccc21)C1CC1 ZINC001228180468 975976964 /nfs/dbraw/zinc/97/69/64/975976964.db2.gz SNTUFVULKMIXSY-CYBMUJFWSA-N 0 0 246.266 2.602 20 5 BFBDRN Cc1cc(NCCCC(F)F)ncc1[N+](=O)[O-] ZINC001334306221 976436934 /nfs/dbraw/zinc/43/69/34/976436934.db2.gz XUPAOMLWYFTOAO-UHFFFAOYSA-N 0 0 245.229 2.755 20 5 BFBDRN O=[N+]([O-])c1ccncc1O[C@@H]1CCCC[C@H]1F ZINC001228882874 976547387 /nfs/dbraw/zinc/54/73/87/976547387.db2.gz REXQIPGAGFFIGJ-PSASIEDQSA-N 0 0 240.234 2.649 20 5 BFBDRN C[C@H]1CC[C@@H](Oc2cnccc2[N+](=O)[O-])C1 ZINC001228880863 976548138 /nfs/dbraw/zinc/54/81/38/976548138.db2.gz YSHNDJXKKYIXGG-DTWKUNHWSA-N 0 0 222.244 2.557 20 5 BFBDRN C[C@@H](Oc1cnccc1[N+](=O)[O-])c1cccnc1 ZINC001228880842 976548203 /nfs/dbraw/zinc/54/82/03/976548203.db2.gz XWYOAEHOPGYWCF-SECBINFHSA-N 0 0 245.238 2.525 20 5 BFBDRN C[C@H](Oc1cnccc1[N+](=O)[O-])c1cccnc1 ZINC001228880843 976549454 /nfs/dbraw/zinc/54/94/54/976549454.db2.gz XWYOAEHOPGYWCF-VIFPVBQESA-N 0 0 245.238 2.525 20 5 BFBDRN C[C@@H]1CC[C@@H](Oc2cnccc2[N+](=O)[O-])C1 ZINC001228880865 976549816 /nfs/dbraw/zinc/54/98/16/976549816.db2.gz YSHNDJXKKYIXGG-RKDXNWHRSA-N 0 0 222.244 2.557 20 5 BFBDRN CC1CCC(Oc2cnccc2[N+](=O)[O-])CC1 ZINC001228880191 976549892 /nfs/dbraw/zinc/54/98/92/976549892.db2.gz QORAAQOIRUNZJJ-UHFFFAOYSA-N 0 0 236.271 2.947 20 5 BFBDRN O=[N+]([O-])C[C@H](Oc1cccc2cc[nH]c21)C1CC1 ZINC001228889626 976554282 /nfs/dbraw/zinc/55/42/82/976554282.db2.gz CFERAFRLQUGYDO-LBPRGKRZSA-N 0 0 246.266 2.602 20 5 BFBDRN CO[C@@H](C)CCOc1ccc([N+](=O)[O-])cc1C ZINC001228916442 976569481 /nfs/dbraw/zinc/56/94/81/976569481.db2.gz RJJHUVNQWLJAEM-JTQLQIEISA-N 0 0 239.271 2.707 20 5 BFBDRN CCO[C@H](C)COc1ccc([N+](=O)[O-])cc1C ZINC001228920883 976583014 /nfs/dbraw/zinc/58/30/14/976583014.db2.gz KBYGNIOFLFNBAN-SNVBAGLBSA-N 0 0 239.271 2.707 20 5 BFBDRN CC[C@@H](C)Oc1cccc(C(C)=O)c1[N+](=O)[O-] ZINC001229132387 976766805 /nfs/dbraw/zinc/76/68/05/976766805.db2.gz SYOZGQULWCCEIH-MRVPVSSYSA-N 0 0 237.255 2.975 20 5 BFBDRN Cc1cnc(Nc2ccc([N+](=O)[O-])cc2)o1 ZINC001174475516 976793714 /nfs/dbraw/zinc/79/37/14/976793714.db2.gz HPOJTAZTZYIKOY-UHFFFAOYSA-N 0 0 219.200 2.635 20 5 BFBDRN Cc1cc(Nc2ccc([N+](=O)[O-])cc2)nc(C)n1 ZINC001174475754 976794594 /nfs/dbraw/zinc/79/45/94/976794594.db2.gz LDVYMKHWBAMTKW-UHFFFAOYSA-N 0 0 244.254 2.745 20 5 BFBDRN CC[C@H](C)Oc1ncnc2cc([N+](=O)[O-])ccc21 ZINC001229399352 976862274 /nfs/dbraw/zinc/86/22/74/976862274.db2.gz JGQSWWJDFBDKIX-QMMMGPOBSA-N 0 0 247.254 2.715 20 5 BFBDRN C=CNc1cc2nc3ccccc3nc2cc1N ZINC001174783458 977004252 /nfs/dbraw/zinc/00/42/52/977004252.db2.gz QVGQYJGVGABYBI-UHFFFAOYSA-N 0 0 236.278 2.921 20 5 BFBDRN O=[N+]([O-])c1ccc(OC2CCCC2)c(Cl)n1 ZINC001229915346 977027738 /nfs/dbraw/zinc/02/77/38/977027738.db2.gz NSXOJYVZVVODIA-UHFFFAOYSA-N 0 0 242.662 2.965 20 5 BFBDRN Cc1cc([N+](=O)[O-])c(OC(C)C)cc1[N+](=O)[O-] ZINC001230491556 977224543 /nfs/dbraw/zinc/22/45/43/977224543.db2.gz VYMBCJVZWSAQGG-UHFFFAOYSA-N 0 0 240.215 2.599 20 5 BFBDRN C[C@@H](Oc1cc2n[nH]cc2cc1[N+](=O)[O-])C1CC1 ZINC001230595982 977271225 /nfs/dbraw/zinc/27/12/25/977271225.db2.gz OFNGXMIBMYROSI-SSDOTTSWSA-N 0 0 247.254 2.648 20 5 BFBDRN CC[C@H](C)Oc1ccc(Cl)nc1[N+](=O)[O-] ZINC001230872096 977353260 /nfs/dbraw/zinc/35/32/60/977353260.db2.gz JOWZXGKAMIJJIX-LURJTMIESA-N 0 0 230.651 2.821 20 5 BFBDRN Cc1cnc(Nc2cc([N+](=O)[O-])ccc2F)o1 ZINC001175734004 977667950 /nfs/dbraw/zinc/66/79/50/977667950.db2.gz DPRXBLIIMCVHMQ-UHFFFAOYSA-N 0 0 237.190 2.774 20 5 BFBDRN Cc1nocc1Nc1ccc(/C=C/[N+](=O)[O-])cc1 ZINC001175901723 977811126 /nfs/dbraw/zinc/81/11/26/977811126.db2.gz YGRUGGKGNZYQKF-VOTSOKGWSA-N 0 0 245.238 2.974 20 5 BFBDRN O=[N+]([O-])/C=C/c1ccc(Nc2ncco2)cc1 ZINC001175900276 977812468 /nfs/dbraw/zinc/81/24/68/977812468.db2.gz MLNFLNLMVIIMIH-FNORWQNLSA-N 0 0 231.211 2.666 20 5 BFBDRN C/C=C/CNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC001338108669 978615042 /nfs/dbraw/zinc/61/50/42/978615042.db2.gz BTWSWNHMTGUQBM-SNAWJCMRSA-N 0 0 248.282 2.518 20 5 BFBDRN CCC[C@@H](C)Oc1c(C)ccnc1[N+](=O)[O-] ZINC001233557877 978626209 /nfs/dbraw/zinc/62/62/09/978626209.db2.gz WUMWREZUVQSJLR-SECBINFHSA-N 0 0 224.260 2.866 20 5 BFBDRN O=[N+]([O-])c1ncc(Cl)cc1OC1CC=CC1 ZINC001233712275 978677279 /nfs/dbraw/zinc/67/72/79/978677279.db2.gz FGFBTLVBUYXDNY-UHFFFAOYSA-N 0 0 240.646 2.741 20 5 BFBDRN CC[C@@H](C)Oc1cc(Cl)cnc1[N+](=O)[O-] ZINC001233712246 978677697 /nfs/dbraw/zinc/67/76/97/978677697.db2.gz DLJKIVPMBVKNIK-ZCFIWIBFSA-N 0 0 230.651 2.821 20 5 BFBDRN Cc1nocc1NCc1cccc([N+](=O)[O-])c1C ZINC001179478527 978710331 /nfs/dbraw/zinc/71/03/31/978710331.db2.gz CQOJBKWUZISGHF-UHFFFAOYSA-N 0 0 247.254 2.812 20 5 BFBDRN C[C@H]1CCC[C@H]1Oc1ccnc([N+](=O)[O-])c1 ZINC001233854807 978713512 /nfs/dbraw/zinc/71/35/12/978713512.db2.gz ISWBEEGGMCFVNV-WCBMZHEXSA-N 0 0 222.244 2.557 20 5 BFBDRN O=[N+]([O-])c1cc(O[C@H]2CCCC[C@H]2F)ccn1 ZINC001233859872 978714423 /nfs/dbraw/zinc/71/44/23/978714423.db2.gz RIOYZAKWBOVJOP-ZJUUUORDSA-N 0 0 240.234 2.649 20 5 BFBDRN C[C@H]1CC[C@H](Oc2ccnc([N+](=O)[O-])c2)CC1 ZINC001233858600 978714532 /nfs/dbraw/zinc/71/45/32/978714532.db2.gz WFRJQTDBLJETQZ-MGCOHNPYSA-N 0 0 236.271 2.947 20 5 BFBDRN C[C@H]1CC[C@@H](Oc2ccnc([N+](=O)[O-])c2)CC1 ZINC001233860182 978714902 /nfs/dbraw/zinc/71/49/02/978714902.db2.gz WFRJQTDBLJETQZ-AOOOYVTPSA-N 0 0 236.271 2.947 20 5 BFBDRN O=[N+]([O-])c1cc(O[C@@H]2C[C@H]3CC[C@@H]2C3)ccn1 ZINC001233857477 978715748 /nfs/dbraw/zinc/71/57/48/978715748.db2.gz MQGIAZJTNGIMHX-IQJOONFLSA-N 0 0 234.255 2.557 20 5 BFBDRN Cc1cncc([N+](=O)[O-])c1N1CCC[C@H](C)CC1 ZINC001338682032 978721708 /nfs/dbraw/zinc/72/17/08/978721708.db2.gz RNOZZPWPIGOYES-JTQLQIEISA-N 0 0 249.314 2.925 20 5 BFBDRN Cc1cc(F)c(OC2CC2)cc1[N+](=O)[O-] ZINC001234059125 978764583 /nfs/dbraw/zinc/76/45/83/978764583.db2.gz IFJACICDBIHMBO-UHFFFAOYSA-N 0 0 211.192 2.584 20 5 BFBDRN Cc1cc(OC2CC(=O)C2)c(C)c(C)c1[N+](=O)[O-] ZINC001234871527 978921601 /nfs/dbraw/zinc/92/16/01/978921601.db2.gz KYLSWGKPSPCWIY-UHFFFAOYSA-N 0 0 249.266 2.630 20 5 BFBDRN Cc1nccc([N+](=O)[O-])c1O[C@@H]1CC[C@@H](C)C1 ZINC001234902221 978927671 /nfs/dbraw/zinc/92/76/71/978927671.db2.gz ZCLRJSDIHNTPCK-PSASIEDQSA-N 0 0 236.271 2.866 20 5 BFBDRN Cc1nccc([N+](=O)[O-])c1O[C@H](C)C1CCC1 ZINC001234899730 978928613 /nfs/dbraw/zinc/92/86/13/978928613.db2.gz GAVNDZYPTGUJIJ-SECBINFHSA-N 0 0 236.271 2.866 20 5 BFBDRN Cc1cc(NC(=O)C(C)(C)F)cc([N+](=O)[O-])c1 ZINC001341081868 979223489 /nfs/dbraw/zinc/22/34/89/979223489.db2.gz WPWIYMYJQHPQEM-UHFFFAOYSA-N 0 0 240.234 2.590 20 5 BFBDRN CCc1nnc(/C=C\c2ccc([N+](=O)[O-])cc2)o1 ZINC001341291442 979320870 /nfs/dbraw/zinc/32/08/70/979320870.db2.gz LCSGVFACDABGMV-YVMONPNESA-N 0 0 245.238 2.711 20 5 BFBDRN O=[N+]([O-])c1c(F)nccc1NCCCC(F)F ZINC001343202326 980036238 /nfs/dbraw/zinc/03/62/38/980036238.db2.gz BORXSVNACIVTTL-UHFFFAOYSA-N 0 0 249.192 2.586 20 5 BFBDRN Cc1ccc(C)c(Oc2nn(C)cc2[N+](=O)[O-])c1 ZINC001184590573 980109433 /nfs/dbraw/zinc/10/94/33/980109433.db2.gz WYGSVUUJSFDRHS-UHFFFAOYSA-N 0 0 247.254 2.737 20 5 BFBDRN CC[C@H]1CCN(c2nc(C)ccc2[N+](=O)[O-])[C@@H]1C ZINC001186185520 980344936 /nfs/dbraw/zinc/34/49/36/980344936.db2.gz YAXNFUQAFPRQDB-MNOVXSKESA-N 0 0 249.314 2.923 20 5 BFBDRN C[C@H](OC1CC1)c1cccc([N+](=O)[O-])c1 ZINC001205469099 980836865 /nfs/dbraw/zinc/83/68/65/980836865.db2.gz WDQHUDLDPRBODA-QMMMGPOBSA-N 0 0 207.229 2.835 20 5 BFBDRN CC[C@H](C)c1nnc(CCC(C)(C)[N+](=O)[O-])o1 ZINC001346663690 980878222 /nfs/dbraw/zinc/87/82/22/980878222.db2.gz SGLFDVLJVGJLKW-QMMMGPOBSA-N 0 0 241.291 2.571 20 5 BFBDRN Cc1coc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC001349952065 981823846 /nfs/dbraw/zinc/82/38/46/981823846.db2.gz UXEQIXNJSMGTOP-UHFFFAOYSA-N 0 0 246.222 2.749 20 5 BFBDRN CCc1cc(Nc2cc(O)cc([N+](=O)[O-])c2)on1 ZINC001199819375 983017480 /nfs/dbraw/zinc/01/74/80/983017480.db2.gz PRVGRDFXFSHMHO-UHFFFAOYSA-N 0 0 249.226 2.594 20 5 BFBDRN O=[N+]([O-])c1cc(O)cc(Nc2ccco2)c1 ZINC001199818924 983017696 /nfs/dbraw/zinc/01/76/96/983017696.db2.gz HFOFUOZIWZDMDS-UHFFFAOYSA-N 0 0 220.184 2.637 20 5 BFBDRN O=[N+]([O-])c1cc(O)cc(Nc2ncccc2F)c1 ZINC001199802826 983019514 /nfs/dbraw/zinc/01/95/14/983019514.db2.gz ZKTKIPVIICALME-UHFFFAOYSA-N 0 0 249.201 2.578 20 5 BFBDRN Cc1cncc(Nc2cc(O)cc([N+](=O)[O-])c2)c1 ZINC001199802507 983021501 /nfs/dbraw/zinc/02/15/01/983021501.db2.gz STWHSICLWKGHEF-UHFFFAOYSA-N 0 0 245.238 2.747 20 5 BFBDRN Cc1cc(NC(=O)[C@H]2CC2(C)C)cc([N+](=O)[O-])c1 ZINC001440137788 984402947 /nfs/dbraw/zinc/40/29/47/984402947.db2.gz KLCHPPKBLBAPSI-LLVKDONJSA-N 0 0 248.282 2.888 20 5 BFBDRN C/C(Cl)=C\C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001463666584 986564489 /nfs/dbraw/zinc/56/44/89/986564489.db2.gz QJJBXFOTPNGQSH-FNORWQNLSA-N 0 0 240.646 2.676 20 5 BFBDRN CCC[C@H](C)CCNc1c([N+](=O)[O-])ncn1C ZINC001472865416 987295063 /nfs/dbraw/zinc/29/50/63/987295063.db2.gz KOBHUYWLNWKTIC-VIFPVBQESA-N 0 0 240.307 2.567 20 5 BFBDRN Cc1ccc(-c2nnc(C3CC3)o2)cc1[N+](=O)[O-] ZINC001117158751 987789859 /nfs/dbraw/zinc/78/98/59/987789859.db2.gz SVIGULHIUXURRN-UHFFFAOYSA-N 0 0 245.238 2.831 20 5 BFBDRN Cc1cncc([N+](=O)[O-])c1NCC1CCCCC1 ZINC001117197922 987799082 /nfs/dbraw/zinc/79/90/82/987799082.db2.gz CBXFURUNXPLFTD-UHFFFAOYSA-N 0 0 249.314 2.712 20 5 BFBDRN CC1(C)CN(c2ccncc2[N+](=O)[O-])C1(C)C ZINC001117527537 987845158 /nfs/dbraw/zinc/84/51/58/987845158.db2.gz JZAITBXLUDNHLL-UHFFFAOYSA-N 0 0 235.287 2.615 20 5 BFBDRN Cc1cncc([N+](=O)[O-])c1N1CCC(C)=C(C)C1 ZINC001322752788 988376848 /nfs/dbraw/zinc/37/68/48/988376848.db2.gz OAIJBSUUGXIOMT-UHFFFAOYSA-N 0 0 247.298 2.845 20 5 BFBDRN Cc1cncc([N+](=O)[O-])c1N1CC[C@@H](C(C)C)C1 ZINC001324339300 988803210 /nfs/dbraw/zinc/80/32/10/988803210.db2.gz VRLXMTIJPGNMNX-LLVKDONJSA-N 0 0 249.314 2.781 20 5 BFBDRN C[C@H](Nc1ncc([N+](=O)[O-])cc1F)C1(C)CC1 ZINC001516084168 989138108 /nfs/dbraw/zinc/13/81/08/989138108.db2.gz RDISXLWDGBUAIU-ZETCQYMHSA-N 0 0 239.250 2.729 20 5 BFBDRN Cc1ccncc1Nc1cc([N+](=O)[O-])cnc1C ZINC001248747275 989139878 /nfs/dbraw/zinc/13/98/78/989139878.db2.gz URCVLMFLWFCACM-UHFFFAOYSA-N 0 0 244.254 2.745 20 5 BFBDRN CC[C@@H]1C[C@H]1CN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001119679749 989328099 /nfs/dbraw/zinc/32/80/99/989328099.db2.gz DMEMPOOMXQGRFO-PWSUYJOCSA-N 0 0 246.310 2.957 20 5 BFBDRN Cc1cncc([N+](=O)[O-])c1N1CC[C@@H](C)[C@@H](C)C1 ZINC001326434561 989549204 /nfs/dbraw/zinc/54/92/04/989549204.db2.gz XTIOJDKWANMAKA-KOLCDFICSA-N 0 0 249.314 2.781 20 5 BFBDRN Cc1cccc(N[C@@H]2C[C@@H]3CC[C@H]2O3)c1[N+](=O)[O-] ZINC001120957142 989986460 /nfs/dbraw/zinc/98/64/60/989986460.db2.gz SCBAJODXTSOUBY-MVWJERBFSA-N 0 0 248.282 2.635 20 5 BFBDRN Cc1cc(NC(=O)c2ccco2)cc([N+](=O)[O-])c1 ZINC001539870097 990583380 /nfs/dbraw/zinc/58/33/80/990583380.db2.gz UPHKLQDJLMJOLT-UHFFFAOYSA-N 0 0 246.222 2.749 20 5 BFBDRN Cc1cncc([N+](=O)[O-])c1N1CC[C@@H](C)[C@H]1C ZINC001258098200 991007321 /nfs/dbraw/zinc/00/73/21/991007321.db2.gz NVFMCZLKVFTZAE-PSASIEDQSA-N 0 0 235.287 2.533 20 5 BFBDRN CCC1(CNc2c(C)cncc2[N+](=O)[O-])CCC1 ZINC001258106110 991019066 /nfs/dbraw/zinc/01/90/66/991019066.db2.gz YKJBKISXBCIMMF-UHFFFAOYSA-N 0 0 249.314 2.712 20 5 BFBDRN CCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC001559059091 991027286 /nfs/dbraw/zinc/02/72/86/991027286.db2.gz VINCBNICHOBHSR-UHFFFAOYSA-N 0 0 217.228 2.575 20 5 BFBDRN O=[N+]([O-])c1nccn1CC/C=C\c1ccccc1 ZINC001559454256 991108727 /nfs/dbraw/zinc/10/87/27/991108727.db2.gz SRFPTKJNNWWEFB-YWEYNIOJSA-N 0 0 243.266 2.895 20 5 BFBDRN COc1cc(Nc2cccc([N+](=O)[O-])c2)ccn1 ZINC001204407363 991554404 /nfs/dbraw/zinc/55/44/04/991554404.db2.gz OBQKWVFOUVFGHC-UHFFFAOYSA-N 0 0 245.238 2.742 20 5 BFBDRN CC[C@H](C)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001321238849 992498958 /nfs/dbraw/zinc/49/89/58/992498958.db2.gz FQDYVXPCYUCGKD-VIFPVBQESA-N 0 0 220.272 2.709 20 5 BFBDRN C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])C1(C)CC1 ZINC001262652467 993001417 /nfs/dbraw/zinc/00/14/17/993001417.db2.gz GXKIPJLQQBWHTO-VIFPVBQESA-N 0 0 248.282 2.513 20 5 BFBDRN CC[C@@H]1CCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000610677901 343975801 /nfs/dbraw/zinc/97/58/01/343975801.db2.gz CAZJYUQMLNLGJN-MRVPVSSYSA-N 0 0 226.301 2.893 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N2CC[C@H]2C)c1 ZINC000610677285 343975935 /nfs/dbraw/zinc/97/59/35/343975935.db2.gz BJIHMFFASIPOJY-SECBINFHSA-N 0 0 206.245 2.502 20 5 BFBDRN Cc1ccnc(N2CC[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000610678040 343975968 /nfs/dbraw/zinc/97/59/68/343975968.db2.gz NPOVJPSJAVRZMW-LLVKDONJSA-N 0 0 249.314 2.781 20 5 BFBDRN Cc1nc(NCCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000161563983 349473551 /nfs/dbraw/zinc/47/35/51/349473551.db2.gz PCUOCASHPPYMBO-UHFFFAOYSA-N 0 0 249.192 2.663 20 5 BFBDRN CN(c1ccc([N+](=O)[O-])s1)C1CCC1 ZINC000610550379 398159390 /nfs/dbraw/zinc/15/93/90/398159390.db2.gz JMDJOAAJOVAUEZ-UHFFFAOYSA-N 0 0 212.274 2.645 20 5 BFBDRN O=[N+]([O-])c1ccc(N2C[C@H]3CCC[C@@H]3C2)s1 ZINC000610685469 398174620 /nfs/dbraw/zinc/17/46/20/398174620.db2.gz SYHBZNQZDIXLES-RKDXNWHRSA-N 0 0 238.312 2.893 20 5 BFBDRN Cc1cc(CNc2cc([N+](=O)[O-])ccc2C)no1 ZINC000022250554 178043004 /nfs/dbraw/zinc/04/30/04/178043004.db2.gz ALYGJIYPKLQAIH-UHFFFAOYSA-N 0 0 247.254 2.812 20 5 BFBDRN Cc1cc(COC(=O)CC2CC2)ccc1[N+](=O)[O-] ZINC000272831329 178046966 /nfs/dbraw/zinc/04/69/66/178046966.db2.gz YMTGLEFWEWQJHH-UHFFFAOYSA-N 0 0 249.266 2.747 20 5 BFBDRN Cc1cc(COc2ccc([N+](=O)[O-])cc2C)no1 ZINC000131481817 178048688 /nfs/dbraw/zinc/04/86/88/178048688.db2.gz MRMOXXDZHRFSGI-UHFFFAOYSA-N 0 0 248.238 2.779 20 5 BFBDRN Cc1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@@H]1C(F)F ZINC000343878722 398192876 /nfs/dbraw/zinc/19/28/76/398192876.db2.gz WULFEFCKOJZZHG-WCBMZHEXSA-N 0 0 242.225 2.969 20 5 BFBDRN Cc1cc(N(C)C2CCC2)ccc1[N+](=O)[O-] ZINC000301532216 178097611 /nfs/dbraw/zinc/09/76/11/178097611.db2.gz KJLIKUWEGBCGOT-UHFFFAOYSA-N 0 0 220.272 2.892 20 5 BFBDRN Cc1cc(N(C)CC2CC2)c(F)cc1[N+](=O)[O-] ZINC000359885181 178097772 /nfs/dbraw/zinc/09/77/72/178097772.db2.gz XCNIAEIBABYUBC-UHFFFAOYSA-N 0 0 238.262 2.889 20 5 BFBDRN Cc1cc(N(C)CCC2CC2)ncc1[N+](=O)[O-] ZINC000269441369 178098389 /nfs/dbraw/zinc/09/83/89/178098389.db2.gz BGWVOSWCBXUIFZ-UHFFFAOYSA-N 0 0 235.287 2.535 20 5 BFBDRN Cc1cc(N(C)[C@H]2CC2(C)C)ncc1[N+](=O)[O-] ZINC000302844297 178100795 /nfs/dbraw/zinc/10/07/95/178100795.db2.gz FREPLJFTDQWRFS-JTQLQIEISA-N 0 0 235.287 2.533 20 5 BFBDRN Cc1cc(N2C[C@@H]3CCC[C@H]3C2)ncc1[N+](=O)[O-] ZINC000268186181 178120520 /nfs/dbraw/zinc/12/05/20/178120520.db2.gz DHVHDQAJWQPPOQ-QWRGUYRKSA-N 0 0 247.298 2.535 20 5 BFBDRN Cc1cc(N2[C@H](C)CC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000301622763 178122140 /nfs/dbraw/zinc/12/21/40/178122140.db2.gz OFMKSHRVODDEHR-AOOOYVTPSA-N 0 0 235.287 2.675 20 5 BFBDRN Cc1cc(N2[C@H](C)CC[C@H]2C)ncc1[N+](=O)[O-] ZINC000301622766 178122760 /nfs/dbraw/zinc/12/27/60/178122760.db2.gz OFMKSHRVODDEHR-NXEZZACHSA-N 0 0 235.287 2.675 20 5 BFBDRN Cc1cc(NC(=O)C2CC=CC2)ccc1[N+](=O)[O-] ZINC000182426837 178125341 /nfs/dbraw/zinc/12/53/41/178125341.db2.gz FNXYFEBQAPXTOL-UHFFFAOYSA-N 0 0 246.266 2.808 20 5 BFBDRN Cc1cc(NC(=O)CC(C)C)ccc1[N+](=O)[O-] ZINC000075282753 178126711 /nfs/dbraw/zinc/12/67/11/178126711.db2.gz LWBLMUGCEGSUBT-UHFFFAOYSA-N 0 0 236.271 2.888 20 5 BFBDRN O=[N+]([O-])c1ccc(NC2CC(F)(F)C2)cc1 ZINC000335623732 398217865 /nfs/dbraw/zinc/21/78/65/398217865.db2.gz DLEYRLVEIUDNBB-UHFFFAOYSA-N 0 0 228.198 2.804 20 5 BFBDRN Cc1cc(NCC2(C)CCC2)ncc1[N+](=O)[O-] ZINC000226809270 178156628 /nfs/dbraw/zinc/15/66/28/178156628.db2.gz BKAHKWMDKVDXSI-UHFFFAOYSA-N 0 0 235.287 2.900 20 5 BFBDRN Cc1cc(N[C@@H](C)CF)ccc1[N+](=O)[O-] ZINC000288148129 178179008 /nfs/dbraw/zinc/17/90/08/178179008.db2.gz GJXPGECMCWDYBW-QMMMGPOBSA-N 0 0 212.224 2.673 20 5 BFBDRN Cc1cc(N[C@@H]2CC[C@@H](F)C2)ncc1[N+](=O)[O-] ZINC000340975219 178182093 /nfs/dbraw/zinc/18/20/93/178182093.db2.gz RXXOJVLUZGTAOY-RKDXNWHRSA-N 0 0 239.250 2.601 20 5 BFBDRN Cc1cc(N[C@@H]2C[C@H]2C2CC2)ncc1[N+](=O)[O-] ZINC000362375452 178184435 /nfs/dbraw/zinc/18/44/35/178184435.db2.gz JKTDVSRWBDKXRV-VHSXEESVSA-N 0 0 233.271 2.509 20 5 BFBDRN Cc1cc(Oc2cccc([N+](=O)[O-])c2C)ncn1 ZINC000301223485 178216170 /nfs/dbraw/zinc/21/61/70/178216170.db2.gz DHOGUTJYWNANBU-UHFFFAOYSA-N 0 0 245.238 2.794 20 5 BFBDRN O=[N+]([O-])c1cccnc1NCC1CCCCC1 ZINC000037247323 361777120 /nfs/dbraw/zinc/77/71/20/361777120.db2.gz JUQJUXOLYJTULX-UHFFFAOYSA-N 0 0 235.287 2.982 20 5 BFBDRN Cc1cc([N+](=O)[O-])cnc1NCC1CCC1 ZINC000052812275 178273956 /nfs/dbraw/zinc/27/39/56/178273956.db2.gz GIGVIEVPKJZLAC-UHFFFAOYSA-N 0 0 221.260 2.510 20 5 BFBDRN Cc1cc([N+](=O)[O-])cnc1N(C)CCC(C)C ZINC000301212209 178274003 /nfs/dbraw/zinc/27/40/03/178274003.db2.gz XLMPFHHNHUCNQM-UHFFFAOYSA-N 0 0 237.303 2.781 20 5 BFBDRN Cc1cc([N+](=O)[O-])cnc1N1C[C@@H]2CCC[C@@H]2C1 ZINC000268261265 178274217 /nfs/dbraw/zinc/27/42/17/178274217.db2.gz RIVJBZDCFMZOLA-PHIMTYICSA-N 0 0 247.298 2.535 20 5 BFBDRN Cc1cc([N+](=O)[O-])cnc1NCCC(C)(F)F ZINC000294213948 178274248 /nfs/dbraw/zinc/27/42/48/178274248.db2.gz MTTBVDXPOFSASY-UHFFFAOYSA-N 0 0 245.229 2.755 20 5 BFBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)C1CCC1 ZINC000172698008 178271453 /nfs/dbraw/zinc/27/14/53/178271453.db2.gz HWOXRBKZBVNVTL-UHFFFAOYSA-N 0 0 248.282 2.528 20 5 BFBDRN Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCSC1 ZINC000037061704 178272484 /nfs/dbraw/zinc/27/24/84/178272484.db2.gz KFGMEBYGLPSFQA-VIFPVBQESA-N 0 0 238.312 2.821 20 5 BFBDRN Cc1cc([N+](=O)[O-])ccc1OCC(=O)CC1CC1 ZINC000278737349 178273289 /nfs/dbraw/zinc/27/32/89/178273289.db2.gz OGHGCTLGPQGDAQ-UHFFFAOYSA-N 0 0 249.266 2.651 20 5 BFBDRN Cc1cc([N+](=O)[O-])ccc1OCCCF ZINC000131520623 178273294 /nfs/dbraw/zinc/27/32/94/178273294.db2.gz NRIWJGPUJIHLAR-UHFFFAOYSA-N 0 0 213.208 2.642 20 5 BFBDRN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CC1(C)C ZINC000052812842 178275031 /nfs/dbraw/zinc/27/50/31/178275031.db2.gz IVQJUYLDUNXVMH-SECBINFHSA-N 0 0 221.260 2.509 20 5 BFBDRN CCC(CC)CNc1ccc([N+](=O)[O-])cn1 ZINC000122607753 168366062 /nfs/dbraw/zinc/36/60/62/168366062.db2.gz HOIBHNNHQSQGKJ-UHFFFAOYSA-N 0 0 223.276 2.838 20 5 BFBDRN CC1(C)C[C@@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000232979805 136230175 /nfs/dbraw/zinc/23/01/75/136230175.db2.gz BCLYAEDRAZLUCQ-ZCFIWIBFSA-N 0 0 227.289 2.509 20 5 BFBDRN O=[N+]([O-])c1cccc(F)c1N[C@@H]1C[C@H]1C(F)F ZINC000343804723 136231231 /nfs/dbraw/zinc/23/12/31/136231231.db2.gz GXXOWWFPOGESIH-IYSWYEEDSA-N 0 0 246.188 2.799 20 5 BFBDRN Cc1ccc(C(=O)N2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000173129449 178391122 /nfs/dbraw/zinc/39/11/22/178391122.db2.gz LDCQUZXBGGTNLX-SNVBAGLBSA-N 0 0 248.282 2.528 20 5 BFBDRN O=[N+]([O-])c1sccc1NCc1cccnc1 ZINC000063256028 342694671 /nfs/dbraw/zinc/69/46/71/342694671.db2.gz DBFIZOAUWOQAPJ-UHFFFAOYSA-N 0 0 235.268 2.663 20 5 BFBDRN COCCCCCNc1sccc1[N+](=O)[O-] ZINC000309623835 342758269 /nfs/dbraw/zinc/75/82/69/342758269.db2.gz FXAXZHKMXZSPDJ-UHFFFAOYSA-N 0 0 244.316 2.885 20 5 BFBDRN CCCCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000161492052 398285421 /nfs/dbraw/zinc/28/54/21/398285421.db2.gz ROTWIULTTYNWJE-UHFFFAOYSA-N 0 0 209.249 2.510 20 5 BFBDRN CCn1nc(C)cc1-c1ccc([N+](=O)[O-])cc1 ZINC000601931995 342796291 /nfs/dbraw/zinc/79/62/91/342796291.db2.gz KTZHTAJHKOSZQP-UHFFFAOYSA-N 0 0 231.255 2.787 20 5 BFBDRN CCC[C@](C)(O)CNc1ccsc1[N+](=O)[O-] ZINC000309713379 342798826 /nfs/dbraw/zinc/79/88/26/342798826.db2.gz RSABZHFTRPRMLI-JTQLQIEISA-N 0 0 244.316 2.619 20 5 BFBDRN CCC(CC)Nc1ccc([N+](=O)[O-])cn1 ZINC000020557184 168393472 /nfs/dbraw/zinc/39/34/72/168393472.db2.gz ULIAYPCGCBUGSC-UHFFFAOYSA-N 0 0 209.249 2.590 20 5 BFBDRN CC1(C)CC[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000286268169 342821221 /nfs/dbraw/zinc/82/12/21/342821221.db2.gz DHBHLMWXKSOZRD-VIFPVBQESA-N 0 0 221.260 2.590 20 5 BFBDRN CCC(CC)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000286997462 168393988 /nfs/dbraw/zinc/39/39/88/168393988.db2.gz OUIAUHAZKCGLIP-UHFFFAOYSA-N 0 0 223.276 2.778 20 5 BFBDRN O=[N+]([O-])c1cncc(Cl)c1NC1CC=CC1 ZINC000304380116 342829990 /nfs/dbraw/zinc/82/99/90/342829990.db2.gz QMZQLIBCQAYUPE-UHFFFAOYSA-N 0 0 239.662 2.774 20 5 BFBDRN CCC(CC)Sc1ncc([N+](=O)[O-])cn1 ZINC000273659724 168397138 /nfs/dbraw/zinc/39/71/38/168397138.db2.gz VVXYJJXVVFNWPQ-UHFFFAOYSA-N 0 0 227.289 2.666 20 5 BFBDRN CC(C)[C@H](C)CNc1cccnc1[N+](=O)[O-] ZINC000157240294 344005599 /nfs/dbraw/zinc/00/55/99/344005599.db2.gz NQNJQSXVLZYHRF-SECBINFHSA-N 0 0 223.276 2.694 20 5 BFBDRN CC1(C(=O)Oc2cccc([N+](=O)[O-])c2)CCC1 ZINC000267458709 398295210 /nfs/dbraw/zinc/29/52/10/398295210.db2.gz NKSMDYQUCMZPLN-UHFFFAOYSA-N 0 0 235.239 2.690 20 5 BFBDRN O=[N+]([O-])c1cccnc1NCC1(C2CC2)CC1 ZINC000131217387 398307542 /nfs/dbraw/zinc/30/75/42/398307542.db2.gz GMRVRWNIMNINFJ-UHFFFAOYSA-N 0 0 233.271 2.592 20 5 BFBDRN CCC[C@@H]1C[C@H]1Nc1cc(N)ccc1[N+](=O)[O-] ZINC000282196217 398316837 /nfs/dbraw/zinc/31/68/37/398316837.db2.gz LEDZUXOOYQQRHR-PSASIEDQSA-N 0 0 235.287 2.778 20 5 BFBDRN C[C@H](CCO)Sc1c(F)cccc1[N+](=O)[O-] ZINC000304576401 342898347 /nfs/dbraw/zinc/89/83/47/342898347.db2.gz RUASWUWDVQYCEF-SSDOTTSWSA-N 0 0 245.275 2.597 20 5 BFBDRN O=[N+]([O-])c1ccsc1NC[C@H]1CCCS1 ZINC000302003167 398319389 /nfs/dbraw/zinc/31/93/89/398319389.db2.gz JRVWYXUVQJWRDB-SSDOTTSWSA-N 0 0 244.341 2.964 20 5 BFBDRN Cc1c(OCC(=O)C2CCC2)cccc1[N+](=O)[O-] ZINC000278060522 398314742 /nfs/dbraw/zinc/31/47/42/398314742.db2.gz UVCOJYBAOIRSCB-UHFFFAOYSA-N 0 0 249.266 2.651 20 5 BFBDRN CC[C@@H](C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000133101795 398322208 /nfs/dbraw/zinc/32/22/08/398322208.db2.gz OMWMIANOWVBZLQ-SECBINFHSA-N 0 0 237.255 2.589 20 5 BFBDRN CCCCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000033389285 398322967 /nfs/dbraw/zinc/32/29/67/398322967.db2.gz ZJLMTMVURWJAMM-TWGQIWQCSA-N 0 0 248.282 2.524 20 5 BFBDRN O=[N+]([O-])c1cc(CN[C@@H]2CCC[C@@H]2F)cs1 ZINC000339588068 398332738 /nfs/dbraw/zinc/33/27/38/398332738.db2.gz VGSWZXIUYRRZLY-DTWKUNHWSA-N 0 0 244.291 2.637 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CC3(C2)CCCCC3)cn1 ZINC000576935998 365725179 /nfs/dbraw/zinc/72/51/79/365725179.db2.gz JKBHHJDQKFMPPK-UHFFFAOYSA-N 0 0 247.298 2.760 20 5 BFBDRN CCCCOCCNc1ccc([N+](=O)[O-])s1 ZINC000310028200 343215495 /nfs/dbraw/zinc/21/54/95/343215495.db2.gz QHQCPBONQSGYBB-UHFFFAOYSA-N 0 0 244.316 2.885 20 5 BFBDRN O=C(NCCCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000128350334 346931860 /nfs/dbraw/zinc/93/18/60/346931860.db2.gz AGOMJEJQTNCGRU-UHFFFAOYSA-N 0 0 248.282 2.515 20 5 BFBDRN CC(C)CC(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000060283790 343352198 /nfs/dbraw/zinc/35/21/98/343352198.db2.gz RSBUBMQJYOAXFJ-UHFFFAOYSA-N 0 0 237.255 2.684 20 5 BFBDRN O=[N+]([O-])c1cc(F)ccc1S[C@@H]1CCOC1 ZINC000335683283 136329258 /nfs/dbraw/zinc/32/92/58/136329258.db2.gz VEOXOSXFLSIEIA-MRVPVSSYSA-N 0 0 243.259 2.615 20 5 BFBDRN O=[N+]([O-])c1cccnc1N[C@@H]1CCC(F)(F)C1 ZINC000310482178 343509134 /nfs/dbraw/zinc/50/91/34/343509134.db2.gz LURNHNSYMITHOB-SSDOTTSWSA-N 0 0 243.213 2.590 20 5 BFBDRN CCc1ccc([N+](=O)[O-])cc1NC(C)C ZINC000309112139 529730723 /nfs/dbraw/zinc/73/07/23/529730723.db2.gz OUQJFYIZUIBGTF-UHFFFAOYSA-N 0 0 208.261 2.978 20 5 BFBDRN CC(C)CN(C)c1c(F)cccc1[N+](=O)[O-] ZINC000341929895 349870310 /nfs/dbraw/zinc/87/03/10/349870310.db2.gz HSMMBGMDDYQWFO-UHFFFAOYSA-N 0 0 226.251 2.826 20 5 BFBDRN CC(C)=CC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000295332286 187351800 /nfs/dbraw/zinc/35/18/00/187351800.db2.gz LZVKGOLLEUGMCN-JTQLQIEISA-N 0 0 248.282 2.738 20 5 BFBDRN O=[N+]([O-])c1ccccc1N1CC[C@@H]1C1CC1 ZINC000334622293 343896561 /nfs/dbraw/zinc/89/65/61/343896561.db2.gz FXFVBNANMCIKIV-SNVBAGLBSA-N 0 0 218.256 2.584 20 5 BFBDRN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](F)C1 ZINC000334700570 343904017 /nfs/dbraw/zinc/90/40/17/343904017.db2.gz KCMRGOYJJTXBHZ-UWVGGRQHSA-N 0 0 238.262 2.700 20 5 BFBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N1[C@H](C)C[C@@H]1C ZINC000334771372 343905916 /nfs/dbraw/zinc/90/59/16/343905916.db2.gz GPTFUKZNJXKUOG-AOOOYVTPSA-N 0 0 248.282 2.526 20 5 BFBDRN CN(Cc1ccncc1)c1ccsc1[N+](=O)[O-] ZINC000610272940 343937990 /nfs/dbraw/zinc/93/79/90/343937990.db2.gz LHJWZMMAGOORAG-UHFFFAOYSA-N 0 0 249.295 2.688 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@@H]2CC23CC3)cc1 ZINC000335105855 343928020 /nfs/dbraw/zinc/92/80/20/343928020.db2.gz WELXXECAZHOWQM-SNVBAGLBSA-N 0 0 204.229 2.559 20 5 BFBDRN C[C@@H]1CCCN1c1ccsc1[N+](=O)[O-] ZINC000610587373 343973798 /nfs/dbraw/zinc/97/37/98/343973798.db2.gz MFXIACGXOGCONI-SSDOTTSWSA-N 0 0 212.274 2.645 20 5 BFBDRN CC(C)C[C@H]1CCN(c2cccnc2[N+](=O)[O-])C1 ZINC000610411017 343957280 /nfs/dbraw/zinc/95/72/80/343957280.db2.gz KLVNTTOCIWXZDW-LLVKDONJSA-N 0 0 249.314 2.862 20 5 BFBDRN Cc1cc(N(C)Cc2ccco2)ncc1[N+](=O)[O-] ZINC000080585090 187281647 /nfs/dbraw/zinc/28/16/47/187281647.db2.gz NNXMIBHXGJEISU-UHFFFAOYSA-N 0 0 247.254 2.528 20 5 BFBDRN CC[C@H]1CCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000335912124 344084209 /nfs/dbraw/zinc/08/42/09/344084209.db2.gz GSECGURORKAYEG-NSHDSACASA-N 0 0 248.282 2.528 20 5 BFBDRN CC[C@@H](C)CN(C)c1nc(C)ccc1[N+](=O)[O-] ZINC000610806988 344155209 /nfs/dbraw/zinc/15/52/09/344155209.db2.gz PJNCUHGTDJKZOL-SECBINFHSA-N 0 0 237.303 2.781 20 5 BFBDRN Cc1cc(SCCCO)c(F)cc1[N+](=O)[O-] ZINC000309321168 347034205 /nfs/dbraw/zinc/03/42/05/347034205.db2.gz GYGSVVJDWCNYBR-UHFFFAOYSA-N 0 0 245.275 2.517 20 5 BFBDRN Cc1ncc([N+](=O)[O-])n1C[C@H]1CCC[C@H](C)C1 ZINC000408217049 344252945 /nfs/dbraw/zinc/25/29/45/344252945.db2.gz DMNLIDNAWKAKAP-ONGXEEELSA-N 0 0 237.303 2.926 20 5 BFBDRN CC1=CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000611116215 344254198 /nfs/dbraw/zinc/25/41/98/344254198.db2.gz LVDQPTCLJPALNA-UHFFFAOYSA-N 0 0 224.285 2.813 20 5 BFBDRN O=[N+]([O-])c1ncccc1NCC12CCC(CC1)C2 ZINC000611133160 344263825 /nfs/dbraw/zinc/26/38/25/344263825.db2.gz DROMUGYISGMTDR-UHFFFAOYSA-N 0 0 247.298 2.982 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(Oc2ncc(C)cn2)c1 ZINC000611142764 344264668 /nfs/dbraw/zinc/26/46/68/344264668.db2.gz OUPBPVJKKTWRTP-UHFFFAOYSA-N 0 0 245.238 2.794 20 5 BFBDRN CC(C)OCCOc1ccc([N+](=O)[O-])cc1F ZINC000060807091 344268883 /nfs/dbraw/zinc/26/88/83/344268883.db2.gz VWIARXRXJONDHY-UHFFFAOYSA-N 0 0 243.234 2.538 20 5 BFBDRN O=[N+]([O-])c1ccccc1N1CC2(CC(F)C2)C1 ZINC000611078496 344242544 /nfs/dbraw/zinc/24/25/44/344242544.db2.gz ANUBARNUSZDFKC-UHFFFAOYSA-N 0 0 236.246 2.533 20 5 BFBDRN O=[N+]([O-])c1cc(CN2CCCCCO2)cs1 ZINC000603009722 344393257 /nfs/dbraw/zinc/39/32/57/344393257.db2.gz XYNRVAZOIHIVCB-UHFFFAOYSA-N 0 0 242.300 2.574 20 5 BFBDRN O=[N+]([O-])c1ccccc1CN1CCCCCO1 ZINC000603009414 344393350 /nfs/dbraw/zinc/39/33/50/344393350.db2.gz LUDQHUNKSQIOLK-UHFFFAOYSA-N 0 0 236.271 2.512 20 5 BFBDRN CCOc1cc(N2CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000611296467 344460664 /nfs/dbraw/zinc/46/06/64/344460664.db2.gz ZOMUGUPLRDUGBA-SECBINFHSA-N 0 0 236.271 2.592 20 5 BFBDRN CCC[C@H](C)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000085426801 344530816 /nfs/dbraw/zinc/53/08/16/344530816.db2.gz ZQVCMVAAOFFQLC-VIFPVBQESA-N 0 0 223.276 2.899 20 5 BFBDRN Cc1cccc(NCC(C)(F)F)c1[N+](=O)[O-] ZINC000381983842 347057430 /nfs/dbraw/zinc/05/74/30/347057430.db2.gz FXSRTMOYSNTZKJ-UHFFFAOYSA-N 0 0 230.214 2.970 20 5 BFBDRN C[C@@H]1CCN(c2sccc2[N+](=O)[O-])[C@H]1C ZINC000611413487 344637268 /nfs/dbraw/zinc/63/72/68/344637268.db2.gz XJFURZALLLYOEY-SFYZADRCSA-N 0 0 226.301 2.891 20 5 BFBDRN O=[N+]([O-])c1ccsc1S[C@H]1CCCOC1 ZINC000611541722 344751117 /nfs/dbraw/zinc/75/11/17/344751117.db2.gz NXHZWPHPOPGBGK-ZETCQYMHSA-N 0 0 245.325 2.927 20 5 BFBDRN CC[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000152854176 344700553 /nfs/dbraw/zinc/70/05/53/344700553.db2.gz QSXPBVIMXBLLCF-JTQLQIEISA-N 0 0 220.272 2.831 20 5 BFBDRN C[C@@H]1C[C@H](Nc2sccc2[N+](=O)[O-])[C@H](C)O1 ZINC000601223783 344708986 /nfs/dbraw/zinc/70/89/86/344708986.db2.gz NBTJAGMGBHSEET-CSMHCCOUSA-N 0 0 242.300 2.634 20 5 BFBDRN Cc1ccc(CN2CC=CCC2)cc1[N+](=O)[O-] ZINC000611521131 344749692 /nfs/dbraw/zinc/74/96/92/344749692.db2.gz DTWTUDBAJQAVQT-UHFFFAOYSA-N 0 0 232.283 2.665 20 5 BFBDRN CC(C)C[C@H]1CCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000075061239 344764003 /nfs/dbraw/zinc/76/40/03/344764003.db2.gz WTCNNLMKDNAPPF-LLVKDONJSA-N 0 0 249.314 2.862 20 5 BFBDRN CO[C@H](CNc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000075062767 344764622 /nfs/dbraw/zinc/76/46/22/344764622.db2.gz VDPAGSZZTIZDAQ-GFCCVEGCSA-N 0 0 238.287 2.678 20 5 BFBDRN CCN(CC1CC1)c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000611616483 344774819 /nfs/dbraw/zinc/77/48/19/344774819.db2.gz SPIGOPMZNSQBJY-UHFFFAOYSA-N 0 0 249.314 2.843 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(NC2CC=CC2)n1 ZINC000611617230 344775147 /nfs/dbraw/zinc/77/51/47/344775147.db2.gz SLFXWIDBNKXYSA-UHFFFAOYSA-N 0 0 233.271 2.737 20 5 BFBDRN Cc1cc(N2CCCC[C@H]2C)ncc1[N+](=O)[O-] ZINC000074725165 344753949 /nfs/dbraw/zinc/75/39/49/344753949.db2.gz SXHDXVJPYOEBAN-SNVBAGLBSA-N 0 0 235.287 2.677 20 5 BFBDRN CCC[C@H](C)N(C)c1ccc([N+](=O)[O-])cn1 ZINC000075677142 344783726 /nfs/dbraw/zinc/78/37/26/344783726.db2.gz FPPHIKPRSBDSPY-VIFPVBQESA-N 0 0 223.276 2.615 20 5 BFBDRN C[C@@H]1C[C@@H](C)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000077227003 344818755 /nfs/dbraw/zinc/81/87/55/344818755.db2.gz YEEVOYNTKJNHLN-VHSXEESVSA-N 0 0 235.287 2.615 20 5 BFBDRN CC1(C)C[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000044368400 187293387 /nfs/dbraw/zinc/29/33/87/187293387.db2.gz JTJNCHBNJCTMIR-SNVBAGLBSA-N 0 0 206.245 2.805 20 5 BFBDRN C[C@@H]1CN(c2ncccc2[N+](=O)[O-])CC(C)(C)C1 ZINC000612099705 344869353 /nfs/dbraw/zinc/86/93/53/344869353.db2.gz AEZGYFMHTPMSRP-JTQLQIEISA-N 0 0 249.314 2.862 20 5 BFBDRN CCCn1cc(Nc2ccccc2[N+](=O)[O-])cn1 ZINC000078472709 344872812 /nfs/dbraw/zinc/87/28/12/344872812.db2.gz UYNVPNMBULAESF-UHFFFAOYSA-N 0 0 246.270 2.945 20 5 BFBDRN CC1(C)CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000078561825 344883070 /nfs/dbraw/zinc/88/30/70/344883070.db2.gz ILUSIXCXHDLIEA-UHFFFAOYSA-N 0 0 238.262 2.970 20 5 BFBDRN Cc1cnc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000078624375 344891343 /nfs/dbraw/zinc/89/13/43/344891343.db2.gz KZTDDYUMJIHRCA-QWRGUYRKSA-N 0 0 249.314 2.781 20 5 BFBDRN CC[C@@H](C)CN(C)c1ncc(C)cc1[N+](=O)[O-] ZINC000078662115 344894925 /nfs/dbraw/zinc/89/49/25/344894925.db2.gz DJISYJKASSIHDF-SECBINFHSA-N 0 0 237.303 2.781 20 5 BFBDRN CC(C)CSCCCn1cc([N+](=O)[O-])cn1 ZINC000119109122 187295006 /nfs/dbraw/zinc/29/50/06/187295006.db2.gz NALOWXMVFBXRNY-UHFFFAOYSA-N 0 0 243.332 2.571 20 5 BFBDRN O=[N+]([O-])c1ccc(-c2nc(C3CCC3)no2)cc1 ZINC000612897701 344930910 /nfs/dbraw/zinc/93/09/10/344930910.db2.gz RLIAVGKOFGQUDX-UHFFFAOYSA-N 0 0 245.238 2.912 20 5 BFBDRN C[C@H](O)[C@H](C)SCc1csc([N+](=O)[O-])c1 ZINC000079047727 344933132 /nfs/dbraw/zinc/93/31/32/344933132.db2.gz RSECJKPTQGZXIX-BQBZGAKWSA-N 0 0 247.341 2.659 20 5 BFBDRN Cc1ccc(Nc2ncc([N+](=O)[O-])cn2)cc1F ZINC000302161756 178781773 /nfs/dbraw/zinc/78/17/73/178781773.db2.gz PRMGYYVWFYOTTQ-UHFFFAOYSA-N 0 0 248.217 2.576 20 5 BFBDRN Cc1ccc(OCC(=O)C2(C)CC2)cc1[N+](=O)[O-] ZINC000279830063 178809597 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372368604 /nfs/dbraw/zinc/36/86/04/372368604.db2.gz SFODIOCAKKXFKZ-UHFFFAOYSA-N 0 0 248.213 2.708 20 5 BFBDRN O=C(NCCC1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000173274566 182154286 /nfs/dbraw/zinc/15/42/86/182154286.db2.gz LFHYHYURRTZLOR-UHFFFAOYSA-N 0 0 249.270 2.516 20 5 BFBDRN COC[C@H](C)CNc1ccc([N+](=O)[O-])cc1C ZINC000041675406 374173528 /nfs/dbraw/zinc/17/35/28/374173528.db2.gz ZWPLXSZJBDIBQU-SECBINFHSA-N 0 0 238.287 2.598 20 5 BFBDRN O=C(Nc1cccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000282864881 182372241 /nfs/dbraw/zinc/37/22/41/182372241.db2.gz BQRKPTNPJNJMMR-UHFFFAOYSA-N 0 0 240.646 2.597 20 5 BFBDRN O=[N+]([O-])c1ccc(NCc2cccnc2)cc1 ZINC000021040658 182936450 /nfs/dbraw/zinc/93/64/50/182936450.db2.gz SMYWYIGTIBPFSR-UHFFFAOYSA-N 0 0 229.239 2.602 20 5 BFBDRN O=[N+]([O-])c1ccc(NCCc2ccco2)cc1 ZINC000037975290 182936573 /nfs/dbraw/zinc/93/65/73/182936573.db2.gz DVUPIZFOUZEMBG-UHFFFAOYSA-N 0 0 232.239 2.842 20 5 BFBDRN O=[N+]([O-])c1ccc(CNc2nccs2)cc1 ZINC000037668686 182930480 /nfs/dbraw/zinc/93/04/80/182930480.db2.gz PFQJJSPMXJXFMP-UHFFFAOYSA-N 0 0 235.268 2.663 20 5 BFBDRN O=[N+]([O-])c1ccccc1N1CC[C@@H](C2CC2)C1 ZINC000374317128 182951048 /nfs/dbraw/zinc/95/10/48/182951048.db2.gz JYTFOXFIEIOHEU-LLVKDONJSA-N 0 0 232.283 2.831 20 5 BFBDRN O=[N+]([O-])c1cccnc1SCCC1CC1 ZINC000340670575 182953507 /nfs/dbraw/zinc/95/35/07/182953507.db2.gz RPMCJYORGBGAKQ-UHFFFAOYSA-N 0 0 224.285 2.882 20 5 BFBDRN O=[N+]([O-])c1ccsc1N1C[C@@H]2CCC[C@@H]2C1 ZINC000301986660 182956130 /nfs/dbraw/zinc/95/61/30/182956130.db2.gz CZOPDQPAXXMHPE-DTORHVGOSA-N 0 0 238.312 2.893 20 5 BFBDRN O=[N+]([O-])c1cnc(NCCC2CC2)c(Cl)c1 ZINC000078499326 182957612 /nfs/dbraw/zinc/95/76/12/182957612.db2.gz OGVVMGPSJWKJFU-UHFFFAOYSA-N 0 0 241.678 2.855 20 5 BFBDRN O=[N+]([O-])c1cnc(NC2CCCC2)c(Cl)c1 ZINC000227647757 182957997 /nfs/dbraw/zinc/95/79/97/182957997.db2.gz PTXQABRKGWMLHN-UHFFFAOYSA-N 0 0 241.678 2.998 20 5 BFBDRN CCCN(C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285849108 169079792 /nfs/dbraw/zinc/07/97/92/169079792.db2.gz CUSCBWLXDCVCHV-UHFFFAOYSA-N 0 0 244.241 2.715 20 5 BFBDRN CCCN(C)c1cccc(OCC)c1[N+](=O)[O-] ZINC000302219874 169088068 /nfs/dbraw/zinc/08/80/68/169088068.db2.gz LTXOEXBPHDQPJB-UHFFFAOYSA-N 0 0 238.287 2.840 20 5 BFBDRN CCCN(C)c1c(F)cccc1[N+](=O)[O-] ZINC000341931920 169088945 /nfs/dbraw/zinc/08/89/45/169088945.db2.gz RTGNWIRGRFYKMA-UHFFFAOYSA-N 0 0 212.224 2.580 20 5 BFBDRN CCCN(CC)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000298292626 169119152 /nfs/dbraw/zinc/11/91/52/169119152.db2.gz HLVLVVJJZVUFFQ-UHFFFAOYSA-N 0 0 242.300 2.528 20 5 BFBDRN CCCN(CC)c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359089908 169133252 /nfs/dbraw/zinc/13/32/52/169133252.db2.gz CCWXOLPSZRHZOR-UHFFFAOYSA-N 0 0 237.303 2.843 20 5 BFBDRN Cc1cc(Oc2ccccc2[N+](=O)[O-])nc(C)n1 ZINC000193093460 259594748 /nfs/dbraw/zinc/59/47/48/259594748.db2.gz OOPDMGIKZZXCGX-UHFFFAOYSA-N 0 0 245.238 2.794 20 5 BFBDRN CCCOc1cc(C)c([N+](=O)[O-])cc1F ZINC000185669144 169314592 /nfs/dbraw/zinc/31/45/92/169314592.db2.gz WAEHVTFUGWPIMR-UHFFFAOYSA-N 0 0 213.208 2.831 20 5 BFBDRN CCC[C@@](C)(O)CNc1ccccc1[N+](=O)[O-] ZINC000226233470 169458754 /nfs/dbraw/zinc/45/87/54/169458754.db2.gz KLCUCHVORFQCKR-GFCCVEGCSA-N 0 0 238.287 2.558 20 5 BFBDRN CCN(CCC1CC1)c1ncc([N+](=O)[O-])s1 ZINC000337011627 383824396 /nfs/dbraw/zinc/82/43/96/383824396.db2.gz HCAJXEOUZUBBLP-UHFFFAOYSA-N 0 0 241.316 2.678 20 5 BFBDRN Cc1cnc(N[C@H]2CCC[C@H]2F)c([N+](=O)[O-])c1 ZINC000338837876 383837578 /nfs/dbraw/zinc/83/75/78/383837578.db2.gz WUZBVUSLTNFCQC-BDAKNGLRSA-N 0 0 239.250 2.601 20 5 BFBDRN O=[N+]([O-])c1cccnc1N1CC[C@@H](CC2CC2)C1 ZINC000338805322 383834102 /nfs/dbraw/zinc/83/41/02/383834102.db2.gz NZELSMXYEHAUFJ-NSHDSACASA-N 0 0 247.298 2.616 20 5 BFBDRN O=[N+]([O-])c1ccccc1CNc1ccc(F)cn1 ZINC000050015863 383889452 /nfs/dbraw/zinc/88/94/52/383889452.db2.gz GXEXFQACSHVFSS-UHFFFAOYSA-N 0 0 247.229 2.741 20 5 BFBDRN CC[C@@H](C)[N@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339031293 383891214 /nfs/dbraw/zinc/89/12/14/383891214.db2.gz DRGKWMPSXWEESD-SECBINFHSA-N 0 0 238.287 2.531 20 5 BFBDRN CC[C@H](C)[C@H](C)Nc1cccnc1[N+](=O)[O-] ZINC000156967083 383900387 /nfs/dbraw/zinc/90/03/87/383900387.db2.gz KNBZDYLCABLJQN-IUCAKERBSA-N 0 0 223.276 2.836 20 5 BFBDRN CCC[C@H](CC)Nc1ncccc1[N+](=O)[O-] ZINC000050164803 383949796 /nfs/dbraw/zinc/94/97/96/383949796.db2.gz BAGKIIKQOKCPHT-VIFPVBQESA-N 0 0 223.276 2.980 20 5 BFBDRN O=[N+]([O-])c1ccc(NCC23CCC(CC2)C3)cn1 ZINC000339703526 384010547 /nfs/dbraw/zinc/01/05/47/384010547.db2.gz WIWGRJBRZDHZAY-UHFFFAOYSA-N 0 0 247.298 2.982 20 5 BFBDRN O=[N+]([O-])c1cnn(C[C@H]2CCCC(F)(F)C2)c1 ZINC000335048489 384015055 /nfs/dbraw/zinc/01/50/55/384015055.db2.gz BKBUAZCZOLEOFY-QMMMGPOBSA-N 0 0 245.229 2.617 20 5 BFBDRN Cc1ccnc(N(C)Cc2ccoc2)c1[N+](=O)[O-] ZINC000360270326 384038953 /nfs/dbraw/zinc/03/89/53/384038953.db2.gz DZZSUVJNBGQWOK-UHFFFAOYSA-N 0 0 247.254 2.528 20 5 BFBDRN CCCCCOc1cc(C=O)ccc1[N+](=O)[O-] ZINC000050517415 384071574 /nfs/dbraw/zinc/07/15/74/384071574.db2.gz GUWNLEVTJHZIIX-UHFFFAOYSA-N 0 0 237.255 2.976 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC000158704263 384122238 /nfs/dbraw/zinc/12/22/38/384122238.db2.gz QBBHLLQNJUGCJB-XWIASGKRSA-N 0 0 248.282 2.635 20 5 BFBDRN CCCCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000006310580 384151570 /nfs/dbraw/zinc/15/15/70/384151570.db2.gz DIJHULNDOVWLEX-CMDGGOBGSA-N 0 0 248.282 2.524 20 5 BFBDRN Cc1cnc(N2C[C@@H]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000268279786 384160631 /nfs/dbraw/zinc/16/06/31/384160631.db2.gz VZEIRZKOKDMSEP-QWRGUYRKSA-N 0 0 247.298 2.535 20 5 BFBDRN Cc1cnc(N[C@H]2C[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000362375694 384202077 /nfs/dbraw/zinc/20/20/77/384202077.db2.gz LPFNUZZQPCSJIW-ZJUUUORDSA-N 0 0 233.271 2.509 20 5 BFBDRN Cc1ccc(S[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000336309903 384204268 /nfs/dbraw/zinc/20/42/68/384204268.db2.gz AXBNARRGGYMALO-VIFPVBQESA-N 0 0 239.296 2.784 20 5 BFBDRN Cc1ccnc(N2CC[C@@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000362397712 384204155 /nfs/dbraw/zinc/20/41/55/384204155.db2.gz UHJGEHYHSDLXJM-LLVKDONJSA-N 0 0 247.298 2.535 20 5 BFBDRN Cc1cnc(N[C@H]2CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000336646065 384245613 /nfs/dbraw/zinc/24/56/13/384245613.db2.gz DPBJHSYFOULDGB-IUCAKERBSA-N 0 0 221.260 2.509 20 5 BFBDRN CC1(C)CC[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000286333750 384275780 /nfs/dbraw/zinc/27/57/80/384275780.db2.gz HZUXHOKKGKLSBU-ZCFIWIBFSA-N 0 0 227.289 2.652 20 5 BFBDRN Cc1ccnc(N[C@H]2[C@@H]3CCC[C@@H]32)c1[N+](=O)[O-] ZINC000362840897 384349995 /nfs/dbraw/zinc/34/99/95/384349995.db2.gz HEODPBPCBYJIIH-MYJAWHEDSA-N 0 0 233.271 2.509 20 5 BFBDRN C[C@@H]1CC[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000308775859 384368227 /nfs/dbraw/zinc/36/82/27/384368227.db2.gz AFTSKAAYKJVSMF-BDAKNGLRSA-N 0 0 206.245 2.805 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(N[C@H](C)C2CC2)n1 ZINC000359102884 384375439 /nfs/dbraw/zinc/37/54/39/384375439.db2.gz IEEHRNWPISMIQC-SECBINFHSA-N 0 0 235.287 2.817 20 5 BFBDRN CC[C@H](O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000359485893 384391062 /nfs/dbraw/zinc/39/10/62/384391062.db2.gz IGJKFVSVTHLPAL-LBPRGKRZSA-N 0 0 238.287 2.558 20 5 BFBDRN C[C@H](CO)CSCc1csc([N+](=O)[O-])c1 ZINC000359743821 384428361 /nfs/dbraw/zinc/42/83/61/384428361.db2.gz OFWWYULKGBDRCJ-SSDOTTSWSA-N 0 0 247.341 2.518 20 5 BFBDRN O=[N+]([O-])c1ccccc1N1CCC[C@@H]1C1CC1 ZINC000363384020 384473209 /nfs/dbraw/zinc/47/32/09/384473209.db2.gz FCBCDBMVFFQFOV-LLVKDONJSA-N 0 0 232.283 2.974 20 5 BFBDRN CCc1ccccc1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000187207078 384475905 /nfs/dbraw/zinc/47/59/05/384475905.db2.gz AJDGMPZMTHPQMT-UHFFFAOYSA-N 0 0 245.282 2.710 20 5 BFBDRN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000070352866 384545364 /nfs/dbraw/zinc/54/53/64/384545364.db2.gz RRPFOAGCQAGCND-MWLCHTKSSA-N 0 0 236.271 2.574 20 5 BFBDRN O=[N+]([O-])c1cccc(Cl)c1OCCF ZINC000340698434 384545716 /nfs/dbraw/zinc/54/57/16/384545716.db2.gz ZAMZIFZWKKMTTE-UHFFFAOYSA-N 0 0 219.599 2.597 20 5 BFBDRN CC[C@@H]1CCCN(c2nc(C)ccc2[N+](=O)[O-])C1 ZINC000178170115 384606788 /nfs/dbraw/zinc/60/67/88/384606788.db2.gz MZOHQTKEGFURDN-LLVKDONJSA-N 0 0 249.314 2.925 20 5 BFBDRN C[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000047848184 384668761 /nfs/dbraw/zinc/66/87/61/384668761.db2.gz POXGEVSSORNBDJ-NXEZZACHSA-N 0 0 235.287 2.980 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@@H]2C[C@@H]2C2CC2)cc1 ZINC000309491076 384654645 /nfs/dbraw/zinc/65/46/45/384654645.db2.gz IPQCZNPSILHTRN-VXGBXAGGSA-N 0 0 218.256 2.805 20 5 BFBDRN CC[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000072537545 384711413 /nfs/dbraw/zinc/71/14/13/384711413.db2.gz OUBBZTWDUNYWQB-MRVPVSSYSA-N 0 0 237.259 2.515 20 5 BFBDRN CO[C@@H](C)COc1ccc([N+](=O)[O-])cc1Cl ZINC000180897938 384830054 /nfs/dbraw/zinc/83/00/54/384830054.db2.gz YEMSTQQJMALRKE-ZETCQYMHSA-N 0 0 245.662 2.662 20 5 BFBDRN CC1CC(Nc2c(F)cccc2[N+](=O)[O-])C1 ZINC000232843474 259658018 /nfs/dbraw/zinc/65/80/18/259658018.db2.gz LZIFLUVNBJOEEP-UHFFFAOYSA-N 0 0 224.235 2.944 20 5 BFBDRN CCSCc1cc([N+](=O)[O-])ccc1OC ZINC000105632403 384794963 /nfs/dbraw/zinc/79/49/63/384794963.db2.gz PZVRRPBNGONMOP-UHFFFAOYSA-N 0 0 227.285 2.857 20 5 BFBDRN Cn1ccnc1CSc1cccc([N+](=O)[O-])c1 ZINC000337757982 384882635 /nfs/dbraw/zinc/88/26/35/384882635.db2.gz NBALSEXBYYCKKB-UHFFFAOYSA-N 0 0 249.295 2.621 20 5 BFBDRN C[C@@H]1CCC(=O)[C@@H](Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000450628411 384850761 /nfs/dbraw/zinc/85/07/61/384850761.db2.gz YFDYXJMVPXCUMF-RNCFNFMXSA-N 0 0 249.266 2.731 20 5 BFBDRN Cc1cnc(COc2cccc([N+](=O)[O-])c2C)o1 ZINC000150910007 384869401 /nfs/dbraw/zinc/86/94/01/384869401.db2.gz HVBZOFOKFIDLHP-UHFFFAOYSA-N 0 0 248.238 2.779 20 5 BFBDRN CC(=O)O[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000084809898 384898266 /nfs/dbraw/zinc/89/82/66/384898266.db2.gz FRGJNIVLTGCVQW-QMMMGPOBSA-N 0 0 223.228 2.527 20 5 BFBDRN C[C@H]1CC[C@@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC000309305737 384915047 /nfs/dbraw/zinc/91/50/47/384915047.db2.gz NBFLGZDQMVMCID-CBAPKCEASA-N 0 0 224.235 2.944 20 5 BFBDRN CC[C@@H](CNc1ccc([N+](=O)[O-])cc1F)OC ZINC000310249395 384930144 /nfs/dbraw/zinc/93/01/44/384930144.db2.gz JVRJKDPUAGRIST-VIFPVBQESA-N 0 0 242.250 2.571 20 5 BFBDRN CC[C@H](CNc1ccc([N+](=O)[O-])c(C)c1)OC ZINC000290750824 384941171 /nfs/dbraw/zinc/94/11/71/384941171.db2.gz SMFIBHHQHPJDOJ-LLVKDONJSA-N 0 0 238.287 2.740 20 5 BFBDRN CC[C@H]1C[C@@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC000227015446 385081294 /nfs/dbraw/zinc/08/12/94/385081294.db2.gz OYHZYPRBWIXPIT-XVKPBYJWSA-N 0 0 224.235 2.944 20 5 BFBDRN CO[C@H](C)CCNc1c(C)cccc1[N+](=O)[O-] ZINC000263685526 385108283 /nfs/dbraw/zinc/10/82/83/385108283.db2.gz AUECKDKTPJOMFQ-SNVBAGLBSA-N 0 0 238.287 2.740 20 5 BFBDRN CO[C@@H](C)CCNc1ccc([N+](=O)[O-])cc1F ZINC000263725429 385131920 /nfs/dbraw/zinc/13/19/20/385131920.db2.gz BYGMVDINISFVQZ-QMMMGPOBSA-N 0 0 242.250 2.571 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CC3(C2)CCCC3)cc1 ZINC000365052663 385155930 /nfs/dbraw/zinc/15/59/30/385155930.db2.gz JCYDJSBVKMSBNE-UHFFFAOYSA-N 0 0 232.283 2.975 20 5 BFBDRN CC1(C)C[C@@H]1Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000148508944 385168320 /nfs/dbraw/zinc/16/83/20/385168320.db2.gz ZFYKMVYBDKPYNQ-QMMMGPOBSA-N 0 0 241.678 2.854 20 5 BFBDRN CCCCN(C)c1c(OC)cccc1[N+](=O)[O-] ZINC000517261648 385251869 /nfs/dbraw/zinc/25/18/69/385251869.db2.gz ZMRYXJJZDJWCSK-UHFFFAOYSA-N 0 0 238.287 2.840 20 5 BFBDRN CC(C)(C)CNc1ncc([N+](=O)[O-])s1 ZINC000189683620 385270644 /nfs/dbraw/zinc/27/06/44/385270644.db2.gz JVKNHYWOKHKATP-UHFFFAOYSA-N 0 0 215.278 2.509 20 5 BFBDRN C[C@@H](F)CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000338752342 385273929 /nfs/dbraw/zinc/27/39/29/385273929.db2.gz GNWGPMBHNMXIGZ-SSDOTTSWSA-N 0 0 230.214 2.894 20 5 BFBDRN O=[N+]([O-])c1cnc(N[C@H]2CC=CCC2)s1 ZINC000189688199 385273925 /nfs/dbraw/zinc/27/39/25/385273925.db2.gz DYSUBJNSGIKFEH-ZETCQYMHSA-N 0 0 225.273 2.572 20 5 BFBDRN CC/C=C\CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000452611411 385343721 /nfs/dbraw/zinc/34/37/21/385343721.db2.gz HTNGKKLEKPPYAK-PLNGDYQASA-N 0 0 248.282 2.599 20 5 BFBDRN CC/C=C\CNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000452610643 385344968 /nfs/dbraw/zinc/34/49/68/385344968.db2.gz GIHQUQWPLVSTFR-PLNGDYQASA-N 0 0 248.282 2.599 20 5 BFBDRN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@@H]1C ZINC000360991268 385493823 /nfs/dbraw/zinc/49/38/23/385493823.db2.gz RVTHLLGYVALDGN-VIFPVBQESA-N 0 0 248.282 2.786 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H](C)[C@H](C)C2)n1 ZINC000408171368 385602807 /nfs/dbraw/zinc/60/28/07/385602807.db2.gz IJGTYQZETBLTHN-AOOOYVTPSA-N 0 0 249.314 2.699 20 5 BFBDRN CCc1ccc(Cn2cc([N+](=O)[O-])c(C)n2)cc1 ZINC000181832099 385632004 /nfs/dbraw/zinc/63/20/04/385632004.db2.gz YAAAJOQHBFDRBN-UHFFFAOYSA-N 0 0 245.282 2.710 20 5 BFBDRN CCC1(C)CN(c2nc(C)ccc2[N+](=O)[O-])C1 ZINC000292283878 385637689 /nfs/dbraw/zinc/63/76/89/385637689.db2.gz JVHCAAIKLICHBF-UHFFFAOYSA-N 0 0 235.287 2.535 20 5 BFBDRN CCC[C@H](C)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000137253469 385653986 /nfs/dbraw/zinc/65/39/86/385653986.db2.gz FVBQGVUQGBWZCG-QMMMGPOBSA-N 0 0 223.276 2.899 20 5 BFBDRN O=[N+]([O-])c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000264604267 385685962 /nfs/dbraw/zinc/68/59/62/385685962.db2.gz MGMFPFYDTWCJKR-UHFFFAOYSA-N 0 0 231.211 2.522 20 5 BFBDRN COc1cc([N+](=O)[O-])ccc1OCCCCF ZINC000505560429 533142543 /nfs/dbraw/zinc/14/25/43/533142543.db2.gz RXLVHMQOTSTVAX-UHFFFAOYSA-N 0 0 243.234 2.732 20 5 BFBDRN CSCOc1ccc([N+](=O)[O-])cc1C ZINC000292725364 385718439 /nfs/dbraw/zinc/71/84/39/385718439.db2.gz SNIOHNFGRCWVGN-UHFFFAOYSA-N 0 0 213.258 2.603 20 5 BFBDRN Cc1ncccc1OCc1ccccc1[N+](=O)[O-] ZINC000159180678 385731820 /nfs/dbraw/zinc/73/18/20/385731820.db2.gz RNINBPCVXDUHAU-UHFFFAOYSA-N 0 0 244.250 2.877 20 5 BFBDRN Cc1ncc(CNc2ccc([N+](=O)[O-])cc2C)o1 ZINC000397984671 385732007 /nfs/dbraw/zinc/73/20/07/385732007.db2.gz IHEVLYOVCLIJGH-UHFFFAOYSA-N 0 0 247.254 2.812 20 5 BFBDRN C[C@@H]1CCCCN1c1ncc([N+](=O)[O-])cc1F ZINC000408465508 385765223 /nfs/dbraw/zinc/76/52/23/385765223.db2.gz HEURVLXBZXXLLY-MRVPVSSYSA-N 0 0 239.250 2.508 20 5 BFBDRN CCCc1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000355690317 385784864 /nfs/dbraw/zinc/78/48/64/385784864.db2.gz OYLFLRCQOGESFR-UHFFFAOYSA-N 0 0 247.254 2.521 20 5 BFBDRN CC[C@@H]1CCCCN1c1ncc([N+](=O)[O-])s1 ZINC000190299623 385912660 /nfs/dbraw/zinc/91/26/60/385912660.db2.gz LLOPQGNZDWCURW-MRVPVSSYSA-N 0 0 241.316 2.820 20 5 BFBDRN C[C@@H]1C[C@H]1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000159443380 386026347 /nfs/dbraw/zinc/02/63/47/386026347.db2.gz YSCSPUOKDRKVHC-SFYZADRCSA-N 0 0 246.270 2.539 20 5 BFBDRN O=[N+]([O-])c1ccnn1CC1CCCCCC1 ZINC000183874450 386044641 /nfs/dbraw/zinc/04/46/41/386044641.db2.gz ACSQSWMYTIGVHV-UHFFFAOYSA-N 0 0 223.276 2.762 20 5 BFBDRN O=[N+]([O-])c1cnccc1N1Cc2ccccc2C1 ZINC000357849616 386109810 /nfs/dbraw/zinc/10/98/10/386109810.db2.gz JNCKIJFCWYNYQO-UHFFFAOYSA-N 0 0 241.250 2.510 20 5 BFBDRN Cc1conc1NCc1cccc([N+](=O)[O-])c1 ZINC000184043021 386058177 /nfs/dbraw/zinc/05/81/77/386058177.db2.gz YTNPHKVWZSNACJ-UHFFFAOYSA-N 0 0 233.227 2.503 20 5 BFBDRN CC[C@H]1CCN1C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000293990727 386235365 /nfs/dbraw/zinc/23/53/65/386235365.db2.gz LMPMYSKQKZDNLC-NSHDSACASA-N 0 0 248.282 2.528 20 5 BFBDRN Cc1csc(CNc2ccc([N+](=O)[O-])cn2)c1 ZINC000344612991 386320863 /nfs/dbraw/zinc/32/08/63/386320863.db2.gz DWJAWCFBDOQRDP-UHFFFAOYSA-N 0 0 249.295 2.972 20 5 BFBDRN CCCCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000057835095 386268228 /nfs/dbraw/zinc/26/82/28/386268228.db2.gz KUMUQWMJUAKSPK-UHFFFAOYSA-N 0 0 248.282 2.674 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CC1CC1 ZINC000129486520 386441725 /nfs/dbraw/zinc/44/17/25/386441725.db2.gz QWZNFIJQIMUAGC-UHFFFAOYSA-N 0 0 248.282 2.950 20 5 BFBDRN CC[C@H](COc1ccc([N+](=O)[O-])cc1F)OC ZINC000416911453 386413163 /nfs/dbraw/zinc/41/31/63/386413163.db2.gz MPMGYCNQYQMINI-SECBINFHSA-N 0 0 243.234 2.538 20 5 BFBDRN O=[N+]([O-])c1cccc(CNc2ccc(F)cn2)c1 ZINC000052942797 386432184 /nfs/dbraw/zinc/43/21/84/386432184.db2.gz IQCLXTUANCJKRU-UHFFFAOYSA-N 0 0 247.229 2.741 20 5 BFBDRN CO[C@@H](C)[C@@H](C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000290605895 386458913 /nfs/dbraw/zinc/45/89/13/386458913.db2.gz FHEORWJOKHZYPX-SFYZADRCSA-N 0 0 242.250 2.569 20 5 BFBDRN C[C@@H](C1CCC1)N(C)c1ncc([N+](=O)[O-])s1 ZINC000336963167 386563999 /nfs/dbraw/zinc/56/39/99/386563999.db2.gz DMFSUIKYEDBFSQ-ZETCQYMHSA-N 0 0 241.316 2.676 20 5 BFBDRN CCCCCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000073000208 386658343 /nfs/dbraw/zinc/65/83/43/386658343.db2.gz ICQCOIBDQANZPT-UHFFFAOYSA-N 0 0 223.276 2.900 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N2CCCC[C@H](C)C2)n1 ZINC000185856767 386712924 /nfs/dbraw/zinc/71/29/24/386712924.db2.gz STCSNTDGBSQWLB-JTQLQIEISA-N 0 0 249.314 2.925 20 5 BFBDRN Cc1ccnc(N[C@H]2CC[C@H]2C)c1[N+](=O)[O-] ZINC000336666950 386785676 /nfs/dbraw/zinc/78/56/76/386785676.db2.gz QIOKRSQOKSSABV-APPZFPTMSA-N 0 0 221.260 2.509 20 5 BFBDRN Cc1cnc(N(C)[C@@H](C)C2(C)CC2)c([N+](=O)[O-])c1 ZINC000439619848 386815893 /nfs/dbraw/zinc/81/58/93/386815893.db2.gz QVOBTCBRBJSVSB-JTQLQIEISA-N 0 0 249.314 2.923 20 5 BFBDRN COCCOc1ccc([N+](=O)[O-])c2ccccc12 ZINC000151737665 386843961 /nfs/dbraw/zinc/84/39/61/386843961.db2.gz ROGZFMXORZAWGE-UHFFFAOYSA-N 0 0 247.250 2.773 20 5 BFBDRN CSCCCN(C)c1ccccc1[N+](=O)[O-] ZINC000341390916 386901787 /nfs/dbraw/zinc/90/17/87/386901787.db2.gz PYMPMSKGQOJZBH-UHFFFAOYSA-N 0 0 240.328 2.784 20 5 BFBDRN O=[N+]([O-])c1ccc(N2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC000268269195 386948047 /nfs/dbraw/zinc/94/80/47/386948047.db2.gz TYSNHQRSOXNKGJ-PHIMTYICSA-N 0 0 232.283 2.831 20 5 BFBDRN O=[N+]([O-])c1cn(CCCCc2ccccc2)cn1 ZINC000186571098 387002171 /nfs/dbraw/zinc/00/21/71/387002171.db2.gz UITZISCVVRDGBB-UHFFFAOYSA-N 0 0 245.282 2.814 20 5 BFBDRN Cc1ccc(NCCOC(C)C)c([N+](=O)[O-])c1 ZINC000168650842 387031157 /nfs/dbraw/zinc/03/11/57/387031157.db2.gz QLFGMAOGQYUQGB-UHFFFAOYSA-N 0 0 238.287 2.740 20 5 BFBDRN CC(C)=CCNc1ccccc1[N+](=O)[O-] ZINC000223387071 387050903 /nfs/dbraw/zinc/05/09/03/387050903.db2.gz WLPRZWCQJBMLMR-UHFFFAOYSA-N 0 0 206.245 2.973 20 5 BFBDRN O=[N+]([O-])c1ccnn1CCCCc1ccccc1 ZINC000186591779 387012890 /nfs/dbraw/zinc/01/28/90/387012890.db2.gz IQROUDAPJVFEGM-UHFFFAOYSA-N 0 0 245.282 2.814 20 5 BFBDRN CC[C@@H](C)C[C@H](C)Nc1ncc([N+](=O)[O-])cn1 ZINC000088299062 387017880 /nfs/dbraw/zinc/01/78/80/387017880.db2.gz MHMVHZDKEKIYEH-BDAKNGLRSA-N 0 0 238.291 2.621 20 5 BFBDRN CO[C@@H](C)CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000224329229 387126277 /nfs/dbraw/zinc/12/62/77/387126277.db2.gz XBWORESZPCNOAR-ZETCQYMHSA-N 0 0 244.678 2.695 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@H](C2CC2)C2CCC2)cn1 ZINC000324943768 387301819 /nfs/dbraw/zinc/30/18/19/387301819.db2.gz YKIGQVFHGLYAMB-ZDUSSCGKSA-N 0 0 247.298 2.980 20 5 BFBDRN CC[C@H](F)CSc1ncccc1[N+](=O)[O-] ZINC000440583591 387343922 /nfs/dbraw/zinc/34/39/22/387343922.db2.gz KTWHCKCKRUHDQM-ZETCQYMHSA-N 0 0 230.264 2.830 20 5 BFBDRN CO[C@@H](C)CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000224341388 387348879 /nfs/dbraw/zinc/34/88/79/387348879.db2.gz UQLDESLLQUXQHO-ZETCQYMHSA-N 0 0 244.678 2.695 20 5 BFBDRN O=[N+]([O-])c1ccc(OCC2CC2)c(F)c1F ZINC000295684228 387350995 /nfs/dbraw/zinc/35/09/95/387350995.db2.gz CQGGLNOFMNEROO-UHFFFAOYSA-N 0 0 229.182 2.662 20 5 BFBDRN O=[N+]([O-])c1ccnn1C[C@H]1CCCCC1(F)F ZINC000295821721 387429955 /nfs/dbraw/zinc/42/99/55/387429955.db2.gz VISAJTTVODWAIJ-MRVPVSSYSA-N 0 0 245.229 2.617 20 5 BFBDRN C[C@@H](CO)Sc1ccc([N+](=O)[O-])cc1Cl ZINC000160682182 387504148 /nfs/dbraw/zinc/50/41/48/387504148.db2.gz SJDGJYPXOKBQRB-LURJTMIESA-N 0 0 247.703 2.721 20 5 BFBDRN CC[C@H](CSC)Nc1ccc([N+](=O)[O-])nc1 ZINC000162133833 387804606 /nfs/dbraw/zinc/80/46/06/387804606.db2.gz FWILZOVIXPERDF-MRVPVSSYSA-N 0 0 241.316 2.543 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@@H]2CC2(C)C)n1 ZINC000362849921 177876557 /nfs/dbraw/zinc/87/65/57/177876557.db2.gz IRSNLRGFXRFILH-SNVBAGLBSA-N 0 0 249.314 2.841 20 5 BFBDRN CC[C@@H](C)NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000108701447 388046160 /nfs/dbraw/zinc/04/61/60/388046160.db2.gz XYJDKJCGBQNWRB-HSTULFTRSA-N 0 0 248.282 2.523 20 5 BFBDRN CC(C)[C@H](C)Nc1ncc([N+](=O)[O-])cc1F ZINC000591136621 388132763 /nfs/dbraw/zinc/13/27/63/388132763.db2.gz WNUDPFKOUQZPJP-ZETCQYMHSA-N 0 0 227.239 2.585 20 5 BFBDRN C[C@H](CNc1cccnc1[N+](=O)[O-])CC(F)F ZINC000591966377 388144716 /nfs/dbraw/zinc/14/47/16/388144716.db2.gz YBRIZPJXDZAEFS-ZETCQYMHSA-N 0 0 245.229 2.693 20 5 BFBDRN CCN(CCSC)c1sccc1[N+](=O)[O-] ZINC000591999150 388145211 /nfs/dbraw/zinc/14/52/11/388145211.db2.gz IANCJTDIFUMJJJ-UHFFFAOYSA-N 0 0 246.357 2.846 20 5 BFBDRN C[C@H]1SCC[C@@H]1Nc1ccc([N+](=O)[O-])s1 ZINC000592003193 388145782 /nfs/dbraw/zinc/14/57/82/388145782.db2.gz WTUORKHEGGHUKV-RQJHMYQMSA-N 0 0 244.341 2.962 20 5 BFBDRN CCCCCSCCn1cc([N+](=O)[O-])cn1 ZINC000162313612 388350217 /nfs/dbraw/zinc/35/02/17/388350217.db2.gz ODRAGHHMBYJPLI-UHFFFAOYSA-N 0 0 243.332 2.715 20 5 BFBDRN CCC1(CNc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193466124 388355042 /nfs/dbraw/zinc/35/50/42/388355042.db2.gz YMKHHGQVJUZOQI-UHFFFAOYSA-N 0 0 235.287 2.779 20 5 BFBDRN CC[C@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000227013978 388357643 /nfs/dbraw/zinc/35/76/43/388357643.db2.gz KVXWCLFYAHENDM-KWQFWETISA-N 0 0 206.245 2.805 20 5 BFBDRN Cc1ccnc(N[C@@H]2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000133217350 388380861 /nfs/dbraw/zinc/38/08/61/388380861.db2.gz MMSVGXOQWADICF-WCBMZHEXSA-N 0 0 235.287 2.899 20 5 BFBDRN CC(=O)c1cc(N2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000228258143 388380913 /nfs/dbraw/zinc/38/09/13/388380913.db2.gz GPOCLHCTZPHBAL-VIFPVBQESA-N 0 0 248.282 2.644 20 5 BFBDRN Cc1c(NC(=O)C[C@@H]2C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000355026025 388384014 /nfs/dbraw/zinc/38/40/14/388384014.db2.gz LBKDGBOEKPFINA-WPRPVWTQSA-N 0 0 248.282 2.888 20 5 BFBDRN C[C@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])[C@H]1C ZINC000595505379 388387566 /nfs/dbraw/zinc/38/75/66/388387566.db2.gz QKKYGPAKJLJFPK-IUCAKERBSA-N 0 0 238.262 2.574 20 5 BFBDRN C[C@@H]1C[C@H]1CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000357303743 388392289 /nfs/dbraw/zinc/39/22/89/388392289.db2.gz ONFRFJZOWBBBQL-BDAKNGLRSA-N 0 0 247.298 2.631 20 5 BFBDRN CC[C@@H](C)CSc1ncc([N+](=O)[O-])c(C)n1 ZINC000297347108 388451863 /nfs/dbraw/zinc/45/18/63/388451863.db2.gz BFISJPFULQTIIB-SSDOTTSWSA-N 0 0 241.316 2.831 20 5 BFBDRN Cc1cc(C(=O)N2CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000173121943 388413906 /nfs/dbraw/zinc/41/39/06/388413906.db2.gz OELAUHHZMQWWJS-JTQLQIEISA-N 0 0 248.282 2.528 20 5 BFBDRN O=[N+]([O-])c1cc(CN2CCC=C(F)C2)cs1 ZINC000272367865 388417474 /nfs/dbraw/zinc/41/74/74/388417474.db2.gz ANCJQPYDVCPQQL-UHFFFAOYSA-N 0 0 242.275 2.715 20 5 BFBDRN COCCSCc1c(F)cccc1[N+](=O)[O-] ZINC000173731427 388428238 /nfs/dbraw/zinc/42/82/38/388428238.db2.gz ULPNYLBPUCFEKE-UHFFFAOYSA-N 0 0 245.275 2.614 20 5 BFBDRN Cc1ccc(OCC(C)C)cc1[N+](=O)[O-] ZINC000090769888 388516382 /nfs/dbraw/zinc/51/63/82/388516382.db2.gz WLIBVECRXYMLQP-UHFFFAOYSA-N 0 0 209.245 2.938 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3[C@H](C2)C3(C)C)c1 ZINC000301584415 388596472 /nfs/dbraw/zinc/59/64/72/388596472.db2.gz VGQZZIVISVXOEL-PHIMTYICSA-N 0 0 246.310 2.995 20 5 BFBDRN CC[C@H](COc1cccc(C)c1[N+](=O)[O-])OC ZINC000416902116 388672170 /nfs/dbraw/zinc/67/21/70/388672170.db2.gz CYDMXOWCTLLANH-SNVBAGLBSA-N 0 0 239.271 2.707 20 5 BFBDRN Cc1c(OC(=O)C2CC=CC2)cccc1[N+](=O)[O-] ZINC000077737955 388677785 /nfs/dbraw/zinc/67/77/85/388677785.db2.gz HQDNWMXJHOQNAO-UHFFFAOYSA-N 0 0 247.250 2.775 20 5 BFBDRN CC[C@@H](C)CSc1ncc([N+](=O)[O-])cn1 ZINC000273713329 388629698 /nfs/dbraw/zinc/62/96/98/388629698.db2.gz FPALOSKCDRESFQ-SSDOTTSWSA-N 0 0 227.289 2.523 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]2C)c1 ZINC000447054993 388734993 /nfs/dbraw/zinc/73/49/93/388734993.db2.gz CSOMNCMJAFLMBP-JTQLQIEISA-N 0 0 220.272 2.892 20 5 BFBDRN O=[N+]([O-])c1ccc2c(c1NC1CCCC1)CCN2 ZINC000275365154 388735130 /nfs/dbraw/zinc/73/51/30/388735130.db2.gz MIUULIYKPMEUEY-UHFFFAOYSA-N 0 0 247.298 2.917 20 5 BFBDRN Cc1cccc(N2C[C@@H](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000555167941 388738007 /nfs/dbraw/zinc/73/80/07/388738007.db2.gz ODVAVKAQJCYFLA-GHMZBOCLSA-N 0 0 234.299 2.995 20 5 BFBDRN Cc1ccnc(Oc2cccc(C)c2[N+](=O)[O-])n1 ZINC000301863688 388689794 /nfs/dbraw/zinc/68/97/94/388689794.db2.gz UOVJNBCSSZLONJ-UHFFFAOYSA-N 0 0 245.238 2.794 20 5 BFBDRN CCCC(=O)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000066960687 388691351 /nfs/dbraw/zinc/69/13/51/388691351.db2.gz UXJIZZIGYDLWRV-UHFFFAOYSA-N 0 0 244.197 2.612 20 5 BFBDRN CC[C@@H](C)C[C@@H](C)Nc1c([N+](=O)[O-])ncn1C ZINC000115118939 388693201 /nfs/dbraw/zinc/69/32/01/388693201.db2.gz FSRNITITSKPINT-RKDXNWHRSA-N 0 0 240.307 2.565 20 5 BFBDRN CSCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000069012480 388719678 /nfs/dbraw/zinc/71/96/78/388719678.db2.gz QIPNDTDVSDCFJJ-UHFFFAOYSA-N 0 0 226.301 2.678 20 5 BFBDRN CSC[C@@H](C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000124745420 388724774 /nfs/dbraw/zinc/72/47/74/388724774.db2.gz MZCPXKNEMWHDPU-SSDOTTSWSA-N 0 0 244.291 2.897 20 5 BFBDRN O=[N+]([O-])c1ccccc1NCCc1ccc[nH]1 ZINC000301986041 388725545 /nfs/dbraw/zinc/72/55/45/388725545.db2.gz JVEQXHKITCMULL-UHFFFAOYSA-N 0 0 231.255 2.578 20 5 BFBDRN 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586234712 /nfs/dbraw/zinc/23/47/12/586234712.db2.gz XRPXMXXGBKEZDH-MRVPVSSYSA-N 0 0 235.287 2.635 20 5 BFBDRN O=C(OCCCCF)c1cccc([N+](=O)[O-])c1 ZINC000803226563 586338583 /nfs/dbraw/zinc/33/85/83/586338583.db2.gz GTADRKKICYEERG-UHFFFAOYSA-N 0 0 241.218 2.501 20 5 BFBDRN CC[C@H](C)CN(C)c1ccc(N)cc1[N+](=O)[O-] ZINC000804445850 586396089 /nfs/dbraw/zinc/39/60/89/586396089.db2.gz QYCPDFBOWNDLPW-VIFPVBQESA-N 0 0 237.303 2.659 20 5 BFBDRN CC(C)[C@@H]1CCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000804541124 586398712 /nfs/dbraw/zinc/39/87/12/586398712.db2.gz OARMHTQZSWNTRY-SNVBAGLBSA-N 0 0 249.314 2.659 20 5 BFBDRN CCC1(C)CN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000812483043 586578004 /nfs/dbraw/zinc/57/80/04/586578004.db2.gz BZLXKWDVSXHBRY-UHFFFAOYSA-N 0 0 220.272 2.831 20 5 BFBDRN CCC1(C)CN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000812483656 586578046 /nfs/dbraw/zinc/57/80/46/586578046.db2.gz XKGWULIPSJCDLJ-UHFFFAOYSA-N 0 0 238.262 2.970 20 5 BFBDRN O=[N+]([O-])c1cnc(NCCC2CCC2)c(F)c1 ZINC000840278420 586591023 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CC1(C)CC[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000286563761 343728382 /nfs/dbraw/zinc/72/83/82/343728382.db2.gz BISBSJXGACQFLZ-LLVKDONJSA-N 0 0 248.282 2.513 20 5 BFBDRN CSCCNc1cccc(F)c1[N+](=O)[O-] ZINC000082687745 133505228 /nfs/dbraw/zinc/50/52/28/133505228.db2.gz FDYZDGJXMLXXSU-UHFFFAOYSA-N 0 0 230.264 2.509 20 5 BFBDRN CCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000076872638 344041193 /nfs/dbraw/zinc/04/11/93/344041193.db2.gz OIKCMIBSOKKILQ-UHFFFAOYSA-N 0 0 235.287 2.616 20 5 BFBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N1[C@@H](C)C[C@@H]1C ZINC000334771376 343906587 /nfs/dbraw/zinc/90/65/87/343906587.db2.gz GPTFUKZNJXKUOG-UWVGGRQHSA-N 0 0 248.282 2.526 20 5 BFBDRN O=[N+]([O-])c1ccc(N2C3CCCC2CCC3)nc1 ZINC000610281039 343938825 /nfs/dbraw/zinc/93/88/25/343938825.db2.gz DBZQTPSLQBUCLK-UHFFFAOYSA-N 0 0 247.298 2.901 20 5 BFBDRN CC1(C)[C@@H]2CN(c3ccsc3[N+](=O)[O-])C[C@@H]21 ZINC000610282062 343940534 /nfs/dbraw/zinc/94/05/34/343940534.db2.gz ICAKAJUSEWLVBH-OCAPTIKFSA-N 0 0 238.312 2.749 20 5 BFBDRN CC(C)=CCn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000340711453 187355192 /nfs/dbraw/zinc/35/51/92/187355192.db2.gz OTWIFXQNNKOFTG-UHFFFAOYSA-N 0 0 221.260 2.635 20 5 BFBDRN O=[N+]([O-])c1sccc1N1C[C@@H]2CCC[C@@H]2C1 ZINC000610685402 343975441 /nfs/dbraw/zinc/97/54/41/343975441.db2.gz GRLPHKMACMFWOO-DTORHVGOSA-N 0 0 238.312 2.893 20 5 BFBDRN CC[C@H]1C[C@@H]1Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000220208720 344100501 /nfs/dbraw/zinc/10/05/01/344100501.db2.gz UVNMNRITUIWWFK-IUCAKERBSA-N 0 0 221.260 2.509 20 5 BFBDRN O=[N+]([O-])c1ccc(NCc2ccncc2)c(F)c1 ZINC000020474793 344136028 /nfs/dbraw/zinc/13/60/28/344136028.db2.gz WQURDQJHOOFSGT-UHFFFAOYSA-N 0 0 247.229 2.741 20 5 BFBDRN CC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1F ZINC000020474726 344137982 /nfs/dbraw/zinc/13/79/82/344137982.db2.gz JJZOMFMEGWDMQW-SSDOTTSWSA-N 0 0 212.224 2.944 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N2CCC(C)(C)CC2)n1 ZINC000610806845 344155345 /nfs/dbraw/zinc/15/53/45/344155345.db2.gz UCCPYUKEDJQLPI-UHFFFAOYSA-N 0 0 249.314 2.925 20 5 BFBDRN CC[C@@](C)(CNc1ccsc1[N+](=O)[O-])OC ZINC000322616002 344405499 /nfs/dbraw/zinc/40/54/99/344405499.db2.gz MFJIDVVBCXSVDH-JTQLQIEISA-N 0 0 244.316 2.883 20 5 BFBDRN C[C@@H]1[C@@H](C)CCN1c1sccc1[N+](=O)[O-] ZINC000611413486 344536226 /nfs/dbraw/zinc/53/62/26/344536226.db2.gz XJFURZALLLYOEY-JGVFFNPUSA-N 0 0 226.301 2.891 20 5 BFBDRN CCCCN(C)c1cccc(F)c1[N+](=O)[O-] ZINC000048802010 344590155 /nfs/dbraw/zinc/59/01/55/344590155.db2.gz FBIVVHPJPYTXRK-UHFFFAOYSA-N 0 0 226.251 2.970 20 5 BFBDRN O=[N+]([O-])c1cc(F)ccc1N1CC=CCC1 ZINC000611509942 344746868 /nfs/dbraw/zinc/74/68/68/344746868.db2.gz NLJUAUVEDZIDJL-UHFFFAOYSA-N 0 0 222.219 2.500 20 5 BFBDRN CC(C)C[C@@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000075061108 344763771 /nfs/dbraw/zinc/76/37/71/344763771.db2.gz UTEROCGPXCDNFC-NSHDSACASA-N 0 0 249.314 2.862 20 5 BFBDRN CCCCN(C)c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000611615477 344773968 /nfs/dbraw/zinc/77/39/68/344773968.db2.gz DYDSABHOYMWFKX-UHFFFAOYSA-N 0 0 237.303 2.843 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@@H](C)C2CC2)n1 ZINC000611616035 344774432 /nfs/dbraw/zinc/77/44/32/344774432.db2.gz VMPYZMIYIGLGAG-JTQLQIEISA-N 0 0 249.314 2.841 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(NCC2CCC2)n1 ZINC000611615994 344774502 /nfs/dbraw/zinc/77/45/02/344774502.db2.gz SBONKAIDXOYXRG-UHFFFAOYSA-N 0 0 235.287 2.819 20 5 BFBDRN Cc1cc(N2CCCCCC2)ncc1[N+](=O)[O-] ZINC000074724515 344754067 /nfs/dbraw/zinc/75/40/67/344754067.db2.gz GDTDEKHPZLFTQV-UHFFFAOYSA-N 0 0 235.287 2.679 20 5 BFBDRN Cc1ccc(Oc2cc(C)c([N+](=O)[O-])cn2)cn1 ZINC000074743343 344754650 /nfs/dbraw/zinc/75/46/50/344754650.db2.gz HIMHYALKIRDZHY-UHFFFAOYSA-N 0 0 245.238 2.794 20 5 BFBDRN Cc1cc(N2CCC[C@H](C)[C@@H]2C)ncc1[N+](=O)[O-] ZINC000074766009 344754844 /nfs/dbraw/zinc/75/48/44/344754844.db2.gz RRXBYQLMLALMOD-ONGXEEELSA-N 0 0 249.314 2.923 20 5 BFBDRN Cc1ccc(NC(=O)C2CC=CC2)cc1[N+](=O)[O-] ZINC000077734040 178720582 /nfs/dbraw/zinc/72/05/82/178720582.db2.gz USOQZZRAZVKDRG-UHFFFAOYSA-N 0 0 246.266 2.808 20 5 BFBDRN O=[N+]([O-])c1ccc(NCc2ccccn2)s1 ZINC000309483395 347074949 /nfs/dbraw/zinc/07/49/49/347074949.db2.gz FJPCKNNOCPQLOO-UHFFFAOYSA-N 0 0 235.268 2.663 20 5 BFBDRN Cc1ccc(NC(=O)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000110083731 178732196 /nfs/dbraw/zinc/73/21/96/178732196.db2.gz BQVJDFZACDEBNH-UHFFFAOYSA-N 0 0 249.270 2.529 20 5 BFBDRN CC1(C)[C@@H]2CN(c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000078411544 344863472 /nfs/dbraw/zinc/86/34/72/344863472.db2.gz GYZWMVGYOOJQTG-AOOOYVTPSA-N 0 0 232.283 2.687 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CCC[C@@H]3CCC[C@@H]32)nc1 ZINC000078413156 344863931 /nfs/dbraw/zinc/86/39/31/344863931.db2.gz VNYXJRYGCIXBNL-JQWIXIFHSA-N 0 0 247.298 2.759 20 5 BFBDRN O=[N+]([O-])c1cccnc1N1CCC[C@@H]2CCC[C@@H]21 ZINC000078413249 344863996 /nfs/dbraw/zinc/86/39/96/344863996.db2.gz SSHHJWKQQLPSNS-QWRGUYRKSA-N 0 0 247.298 2.759 20 5 BFBDRN C[C@@H]1CN(c2cccnc2[N+](=O)[O-])CC(C)(C)C1 ZINC000612099735 344869536 /nfs/dbraw/zinc/86/95/36/344869536.db2.gz DQJMXCUGOSKHIC-JTQLQIEISA-N 0 0 249.314 2.862 20 5 BFBDRN Cc1cnc(N(C)CC2CCC2)c([N+](=O)[O-])c1 ZINC000078662389 344895006 /nfs/dbraw/zinc/89/50/06/344895006.db2.gz UVCDQDJHAGRPGC-UHFFFAOYSA-N 0 0 235.287 2.535 20 5 BFBDRN CC[C@H](C)CN(C)c1ncc(C)cc1[N+](=O)[O-] ZINC000078662119 344895215 /nfs/dbraw/zinc/89/52/15/344895215.db2.gz DJISYJKASSIHDF-VIFPVBQESA-N 0 0 237.303 2.781 20 5 BFBDRN C[C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)CC1(C)C ZINC000612666792 344917470 /nfs/dbraw/zinc/91/74/70/344917470.db2.gz KYWUSTZDFXURRA-SNVBAGLBSA-N 0 0 249.314 2.862 20 5 BFBDRN CC1(C)C[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000044368418 345039708 /nfs/dbraw/zinc/03/97/08/345039708.db2.gz GHPGOOVLGKRAHO-SNVBAGLBSA-N 0 0 206.245 2.805 20 5 BFBDRN C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000044497399 345096082 /nfs/dbraw/zinc/09/60/82/345096082.db2.gz PKAXJHFTDJKTEA-VIFPVBQESA-N 0 0 246.270 2.501 20 5 BFBDRN C/C=C(/C)C(=O)N(C)c1cccc([N+](=O)[O-])c1 ZINC000158024892 187301045 /nfs/dbraw/zinc/30/10/45/187301045.db2.gz HFHVIDMZXCYZOO-WTKPLQERSA-N 0 0 234.255 2.524 20 5 BFBDRN Cc1cc(NCC(C)(F)F)ccc1[N+](=O)[O-] ZINC000378757151 345543514 /nfs/dbraw/zinc/54/35/14/345543514.db2.gz YQJQJTKUHKFHHJ-UHFFFAOYSA-N 0 0 230.214 2.970 20 5 BFBDRN Cc1n[nH]cc1Nc1cc(C)ccc1[N+](=O)[O-] ZINC000088715969 345544279 /nfs/dbraw/zinc/54/42/79/345544279.db2.gz VNUBQKRCULYAFA-UHFFFAOYSA-N 0 0 232.243 2.678 20 5 BFBDRN O=[N+]([O-])c1ccc(Oc2ccc(F)nc2)cc1 ZINC000091503953 345595713 /nfs/dbraw/zinc/59/57/13/345595713.db2.gz QOVPEPRBROSWKZ-UHFFFAOYSA-N 0 0 234.186 2.921 20 5 BFBDRN Cc1cc([N+](=O)[O-])cnc1Sc1ccncc1 ZINC000092686848 345635549 /nfs/dbraw/zinc/63/55/49/345635549.db2.gz DDBDEWRJHZTOIB-UHFFFAOYSA-N 0 0 247.279 2.844 20 5 BFBDRN C[C@@H](Nc1ccccc1[N+](=O)[O-])c1nccn1C ZINC000070444395 345714361 /nfs/dbraw/zinc/71/43/61/345714361.db2.gz XNFPGCQXSZZYFQ-SECBINFHSA-N 0 0 246.270 2.501 20 5 BFBDRN C[C@@H]1C[C@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000136087534 345811662 /nfs/dbraw/zinc/81/16/62/345811662.db2.gz ZLQNMFARTCEGFY-BDAKNGLRSA-N 0 0 206.245 2.663 20 5 BFBDRN C[C@H]1CC[C@H](C)N1c1ccccc1[N+](=O)[O-] ZINC000221575937 345843559 /nfs/dbraw/zinc/84/35/59/345843559.db2.gz KZYHVSUSVKVMPY-UWVGGRQHSA-N 0 0 220.272 2.972 20 5 BFBDRN CC[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000141912051 345853300 /nfs/dbraw/zinc/85/33/00/345853300.db2.gz ZFMPIDAMKCOYGU-LLVKDONJSA-N 0 0 248.282 2.609 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCC[C@H]2F)n1 ZINC000338824661 178929820 /nfs/dbraw/zinc/92/98/20/178929820.db2.gz OZSGSUNPVOVLQI-BDAKNGLRSA-N 0 0 239.250 2.601 20 5 BFBDRN Cc1cn([C@H](C)CC(C)C)nc1[N+](=O)[O-] ZINC000418971889 192092656 /nfs/dbraw/zinc/09/26/56/192092656.db2.gz LNJUJLGNLZAMBI-SECBINFHSA-N 0 0 211.265 2.707 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N2CCCC(C)(C)C2)n1 ZINC000178223583 345913830 /nfs/dbraw/zinc/91/38/30/345913830.db2.gz SXISDHHACVCIJK-UHFFFAOYSA-N 0 0 249.314 2.925 20 5 BFBDRN CC(C)=CCNc1nc(C)ccc1[N+](=O)[O-] ZINC000189490570 187312949 /nfs/dbraw/zinc/31/29/49/187312949.db2.gz PRDDIHZIIHYOBB-UHFFFAOYSA-N 0 0 221.260 2.676 20 5 BFBDRN Cc1nn(C2CC(C)(C)C2)c(C)c1[N+](=O)[O-] ZINC000601068490 346012129 /nfs/dbraw/zinc/01/21/29/346012129.db2.gz DNUWGCCEAIIMNA-UHFFFAOYSA-N 0 0 223.276 2.769 20 5 BFBDRN O=[N+]([O-])c1ccc(NC[C@H]2CC23CC3)c(F)c1 ZINC000419000792 192096888 /nfs/dbraw/zinc/09/68/88/192096888.db2.gz YLHLYFPWKQLGGH-MRVPVSSYSA-N 0 0 236.246 2.946 20 5 BFBDRN Cc1ccnc(NC[C@@H]2CC23CC3)c1[N+](=O)[O-] ZINC000419002171 192097574 /nfs/dbraw/zinc/09/75/74/192097574.db2.gz ZCOVNJNXYWSJHD-VIFPVBQESA-N 0 0 233.271 2.510 20 5 BFBDRN C[C@@H]1CCC[C@@H]1Nc1ncc(F)cc1[N+](=O)[O-] ZINC000401112925 346210439 /nfs/dbraw/zinc/21/04/39/346210439.db2.gz BIJJKRXQPKVCDV-APPZFPTMSA-N 0 0 239.250 2.729 20 5 BFBDRN CC1(C)SC[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000390449280 259389341 /nfs/dbraw/zinc/38/93/41/259389341.db2.gz YYTADDXSVOYTOO-JTQLQIEISA-N 0 0 238.312 2.901 20 5 BFBDRN O=[N+]([O-])c1sccc1N1CC(C2CC2)C1 ZINC000601166120 346543665 /nfs/dbraw/zinc/54/36/65/346543665.db2.gz GQVVMASFVZBVCF-UHFFFAOYSA-N 0 0 224.285 2.503 20 5 BFBDRN Cc1cccc(N2CCC[C@H]3C[C@H]32)c1[N+](=O)[O-] ZINC000588065823 346630991 /nfs/dbraw/zinc/63/09/91/346630991.db2.gz DAMAHNVIAGUDRL-CMPLNLGQSA-N 0 0 232.283 2.892 20 5 BFBDRN Cc1cccc([N+](=O)[O-])c1N1CCC[C@H]2C[C@H]21 ZINC000588066413 346631233 /nfs/dbraw/zinc/63/12/33/346631233.db2.gz NSDLEVFHHWCHJM-CMPLNLGQSA-N 0 0 232.283 2.892 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]3C[C@@H]32)c1 ZINC000588066360 346631340 /nfs/dbraw/zinc/63/13/40/346631340.db2.gz LUFLZUJKCXHHDZ-PWSUYJOCSA-N 0 0 232.283 2.892 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N2CC(C3CC3)C2)c1 ZINC000589695790 346728145 /nfs/dbraw/zinc/72/81/45/346728145.db2.gz WNPJPVHOSVZIRM-UHFFFAOYSA-N 0 0 232.283 2.749 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(NCC2(C3CC3)CC2)n1 ZINC000178582356 346701049 /nfs/dbraw/zinc/70/10/49/346701049.db2.gz JDUWQEUPHPPKMZ-UHFFFAOYSA-N 0 0 247.298 2.900 20 5 BFBDRN CC(C)(NCC(F)F)c1ccccc1[N+](=O)[O-] ZINC000590020768 346766378 /nfs/dbraw/zinc/76/63/78/346766378.db2.gz XVXXRMMFYGXRAJ-UHFFFAOYSA-N 0 0 244.241 2.685 20 5 BFBDRN CCC[C@H](CNc1ccc([N+](=O)[O-])s1)OC ZINC000590707006 347498185 /nfs/dbraw/zinc/49/81/85/347498185.db2.gz JXSSORVETOJWSK-MRVPVSSYSA-N 0 0 244.316 2.883 20 5 BFBDRN CC[C@@](C)(CNc1sccc1[N+](=O)[O-])OC ZINC000590714808 347500154 /nfs/dbraw/zinc/50/01/54/347500154.db2.gz HFELXAKSEHOCGN-JTQLQIEISA-N 0 0 244.316 2.883 20 5 BFBDRN CCC[C@@H](C)Nc1ncc([N+](=O)[O-])cc1F ZINC000591138446 347620394 /nfs/dbraw/zinc/62/03/94/347620394.db2.gz UOXCCALDGKRJNH-SSDOTTSWSA-N 0 0 227.239 2.729 20 5 BFBDRN C[C@@H]1CC[C@@H](CNc2ccc([N+](=O)[O-])s2)O1 ZINC000591175199 347625029 /nfs/dbraw/zinc/62/50/29/347625029.db2.gz KFMIIZWCCXGNDV-SFYZADRCSA-N 0 0 242.300 2.636 20 5 BFBDRN C[C@@H]1CC[C@H](CNc2sccc2[N+](=O)[O-])O1 ZINC000591172347 347628383 /nfs/dbraw/zinc/62/83/83/347628383.db2.gz NTDTYCPNTQCOLW-HTQZYQBOSA-N 0 0 242.300 2.636 20 5 BFBDRN C[C@H]1C[C@H](Nc2sccc2[N+](=O)[O-])CS1 ZINC000591192083 347629144 /nfs/dbraw/zinc/62/91/44/347629144.db2.gz NDZWMIBSRCQWFH-BQBZGAKWSA-N 0 0 244.341 2.962 20 5 BFBDRN Cc1cc([N+](=O)[O-])cnc1N1C[C@H](C)[C@@H](C)[C@H]1C ZINC000591369124 347654767 /nfs/dbraw/zinc/65/47/67/347654767.db2.gz QQGOXDPIKCACII-HBNTYKKESA-N 0 0 249.314 2.779 20 5 BFBDRN O=[N+]([O-])c1ccc(OCC2=CCCC2)cc1CO ZINC000592349807 347766944 /nfs/dbraw/zinc/76/69/44/347766944.db2.gz DZNIOQIAWWYHFJ-UHFFFAOYSA-N 0 0 249.266 2.576 20 5 BFBDRN CN(CCC(C)(C)C)c1ncccc1[N+](=O)[O-] ZINC000591970644 347722935 /nfs/dbraw/zinc/72/29/35/347722935.db2.gz NNHXSODTZFCULP-UHFFFAOYSA-N 0 0 237.303 2.862 20 5 BFBDRN Cc1ccccc1COc1cccnc1[N+](=O)[O-] ZINC000071793673 179287732 /nfs/dbraw/zinc/28/77/32/179287732.db2.gz UOYHBTJOTCEWID-UHFFFAOYSA-N 0 0 244.250 2.877 20 5 BFBDRN COc1cccc([N+](=O)[O-])c1N1CCC=C(C)C1 ZINC000594576288 348075149 /nfs/dbraw/zinc/07/51/49/348075149.db2.gz FIEJZVDNPCDFAG-UHFFFAOYSA-N 0 0 248.282 2.760 20 5 BFBDRN CCN(CC(C)(C)C)c1ccc([N+](=O)[O-])nc1 ZINC000594582269 348076341 /nfs/dbraw/zinc/07/63/41/348076341.db2.gz MGUJYFCTVKEGNI-UHFFFAOYSA-N 0 0 237.303 2.862 20 5 BFBDRN O=[N+]([O-])c1ncccc1OC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000594881862 348119982 /nfs/dbraw/zinc/11/99/82/348119982.db2.gz PDUOFKYLBZGMQQ-MXWKQRLJSA-N 0 0 248.282 2.805 20 5 BFBDRN Cc1ncc([N+](=O)[O-])n1C[C@H]1CCCC[C@H]1C ZINC000594887654 348121945 /nfs/dbraw/zinc/12/19/45/348121945.db2.gz OMMAJOUZPMYTBR-MWLCHTKSSA-N 0 0 237.303 2.926 20 5 BFBDRN CCC(CC)Cn1cc([N+](=O)[O-])c(C)cc1=O ZINC000594891149 348125181 /nfs/dbraw/zinc/12/51/81/348125181.db2.gz JKDPOXNUIXHLJZ-UHFFFAOYSA-N 0 0 238.287 2.501 20 5 BFBDRN C[C@@H]1C[C@H](C)N1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595467553 348258630 /nfs/dbraw/zinc/25/86/30/348258630.db2.gz HWKFENYCUPTBKA-DTORHVGOSA-N 0 0 238.262 2.717 20 5 BFBDRN CC[C@@](C)(O)CNc1cc(C)sc1[N+](=O)[O-] ZINC000596104926 348440366 /nfs/dbraw/zinc/44/03/66/348440366.db2.gz FOWALQAADJSEFF-SNVBAGLBSA-N 0 0 244.316 2.538 20 5 BFBDRN Cc1noc(CNc2cccc(C)c2)c1[N+](=O)[O-] ZINC000596029681 348425483 /nfs/dbraw/zinc/42/54/83/348425483.db2.gz ZCTICSILKSNEOY-UHFFFAOYSA-N 0 0 247.254 2.812 20 5 BFBDRN Cc1cc(N[C@@H]2CC23CC3)c([N+](=O)[O-])s1 ZINC000596282051 348487526 /nfs/dbraw/zinc/48/75/26/348487526.db2.gz ZAYXWZSEVIGFAB-MRVPVSSYSA-N 0 0 224.285 2.929 20 5 BFBDRN Cc1cc(N(C)CC2CC2)c([N+](=O)[O-])s1 ZINC000596087492 348443522 /nfs/dbraw/zinc/44/35/22/348443522.db2.gz DIVFWOUSNFSIMD-UHFFFAOYSA-N 0 0 226.301 2.811 20 5 BFBDRN CC(C)[C@H](C)Sc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596143968 348450251 /nfs/dbraw/zinc/45/02/51/348450251.db2.gz YDVRAUJZGFHMDS-ZETCQYMHSA-N 0 0 242.300 2.832 20 5 BFBDRN C[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])[C@H]1C ZINC000596248494 348472602 /nfs/dbraw/zinc/47/26/02/348472602.db2.gz NKCXELZYQBJPGW-SFYZADRCSA-N 0 0 224.235 2.579 20 5 BFBDRN C[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])[C@H]1C ZINC000596248298 348472673 /nfs/dbraw/zinc/47/26/73/348472673.db2.gz LYFYTTGMPFMTTB-SFYZADRCSA-N 0 0 224.235 2.579 20 5 BFBDRN CCC(C)(C)[C@H](C)Nc1ncc([N+](=O)[O-])cn1 ZINC000596376326 348515246 /nfs/dbraw/zinc/51/52/46/348515246.db2.gz PGFQNMNSDBLGFT-QMMMGPOBSA-N 0 0 238.291 2.621 20 5 BFBDRN CO[C@@]1(C)C[C@H]1Nc1cc(C)sc1[N+](=O)[O-] ZINC000596540361 348583115 /nfs/dbraw/zinc/58/31/15/348583115.db2.gz QYHBVYAQLLTGER-SCZZXKLOSA-N 0 0 242.300 2.554 20 5 BFBDRN Cc1cccc([N+](=O)[O-])c1N1CC2CC1(C)C2 ZINC000596575773 348591858 /nfs/dbraw/zinc/59/18/58/348591858.db2.gz XTSSQYVAGWAVQK-UHFFFAOYSA-N 0 0 232.283 2.892 20 5 BFBDRN O=C(Nc1cccc([N+](=O)[O-])c1)C1CC2(CC2)C1 ZINC000596621284 348594981 /nfs/dbraw/zinc/59/49/81/348594981.db2.gz XZFGIHWRSVHHBF-UHFFFAOYSA-N 0 0 246.266 2.724 20 5 BFBDRN O=[N+]([O-])c1cccnc1NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000596473975 348553284 /nfs/dbraw/zinc/55/32/84/348553284.db2.gz LGWJTUABTNGJCP-GARJFASQSA-N 0 0 247.298 2.838 20 5 BFBDRN CC(C)(F)CCNc1ncccc1[N+](=O)[O-] ZINC000596468073 348562659 /nfs/dbraw/zinc/56/26/59/348562659.db2.gz GIHRSNOUGKZWNS-UHFFFAOYSA-N 0 0 227.239 2.540 20 5 BFBDRN CC(C)(F)CCNc1cccnc1[N+](=O)[O-] ZINC000596469038 348562978 /nfs/dbraw/zinc/56/29/78/348562978.db2.gz UHSSXVLINMTURO-UHFFFAOYSA-N 0 0 227.239 2.540 20 5 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BFBDRN O=[N+]([O-])c1cccnc1NC[C@H]1CCCC12CC2 ZINC000599206946 349118538 /nfs/dbraw/zinc/11/85/38/349118538.db2.gz RZSPVSWKACNUOU-SNVBAGLBSA-N 0 0 247.298 2.982 20 5 BFBDRN O=[N+]([O-])c1ncccc1NC[C@H]1CCCC12CC2 ZINC000599207029 349119226 /nfs/dbraw/zinc/11/92/26/349119226.db2.gz VEDICGQJKUTNOP-SNVBAGLBSA-N 0 0 247.298 2.982 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@H]2CC23CC3)cc1 ZINC000335105854 133775053 /nfs/dbraw/zinc/77/50/53/133775053.db2.gz WELXXECAZHOWQM-JTQLQIEISA-N 0 0 204.229 2.559 20 5 BFBDRN C/C=C/CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000599693512 349246356 /nfs/dbraw/zinc/24/63/56/349246356.db2.gz BNNNZZNQTVODSC-ONEGZZNKSA-N 0 0 249.270 2.601 20 5 BFBDRN Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1CCC2 ZINC000601935740 349389840 /nfs/dbraw/zinc/38/98/40/349389840.db2.gz XHHWRJVCRCDVCT-UHFFFAOYSA-N 0 0 243.266 2.578 20 5 BFBDRN O=[N+]([O-])c1ncccc1NC(C1CC1)C1CC1 ZINC000159318911 350010627 /nfs/dbraw/zinc/01/06/27/350010627.db2.gz QPERHEFNPKVSQL-UHFFFAOYSA-N 0 0 233.271 2.590 20 5 BFBDRN O=[N+]([O-])c1cn(C/C=C/c2ccccc2)cn1 ZINC000024831013 350024938 /nfs/dbraw/zinc/02/49/38/350024938.db2.gz KZCDPSKFLLYXLI-QPJJXVBHSA-N 0 0 229.239 2.505 20 5 BFBDRN Cc1nc(N(C)[C@@H](C)C2(C)CC2)ccc1[N+](=O)[O-] ZINC000301624299 179997382 /nfs/dbraw/zinc/99/73/82/179997382.db2.gz AFJAFQNXRLWFIE-JTQLQIEISA-N 0 0 249.314 2.923 20 5 BFBDRN Cc1nc(N2C[C@@H](C)CC2(C)C)ccc1[N+](=O)[O-] ZINC000268441849 180003890 /nfs/dbraw/zinc/00/38/90/180003890.db2.gz DFXQLTOBVHIXCA-VIFPVBQESA-N 0 0 249.314 2.923 20 5 BFBDRN Cc1nc(N2CC[C@@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000374319177 180003955 /nfs/dbraw/zinc/00/39/55/180003955.db2.gz WFWBVMAKQQCXRT-LLVKDONJSA-N 0 0 247.298 2.535 20 5 BFBDRN Cc1nc(N2C[C@H](C)CC2(C)C)ccc1[N+](=O)[O-] ZINC000268441846 180003990 /nfs/dbraw/zinc/00/39/90/180003990.db2.gz DFXQLTOBVHIXCA-SECBINFHSA-N 0 0 249.314 2.923 20 5 BFBDRN Cc1nc(N[C@H](C)CC(C)C)ncc1[N+](=O)[O-] ZINC000297546411 180023477 /nfs/dbraw/zinc/02/34/77/180023477.db2.gz QKHDULZDZOSKGR-MRVPVSSYSA-N 0 0 238.291 2.540 20 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O=[N+]([O-])c1cc(F)ccc1N[C@H]1C[C@H]1C(F)F ZINC000343817674 350992921 /nfs/dbraw/zinc/99/29/21/350992921.db2.gz VPGRVYQSJGHQOI-SVRRBLITSA-N 0 0 246.188 2.799 20 5 BFBDRN Cc1ccc(N[C@H]2C[C@@H]2C(F)F)c([N+](=O)[O-])c1 ZINC000343796741 350996480 /nfs/dbraw/zinc/99/64/80/350996480.db2.gz XBTQIPMITDRIII-CBAPKCEASA-N 0 0 242.225 2.969 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]2C(F)F)c(F)c1 ZINC000343793654 350996627 /nfs/dbraw/zinc/99/66/27/350996627.db2.gz UWRJXLWXICDZHK-HZGVNTEJSA-N 0 0 246.188 2.799 20 5 BFBDRN CO[C@@H]1CC[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000231682659 351122107 /nfs/dbraw/zinc/12/21/07/351122107.db2.gz NHKOSNQCNNBAJQ-NXEZZACHSA-N 0 0 236.271 2.574 20 5 BFBDRN C[C@H]1CCCCCN1c1ccc([N+](=O)[O-])nc1 ZINC000344425151 351124622 /nfs/dbraw/zinc/12/46/22/351124622.db2.gz VEPUQBXTTWCGQY-JTQLQIEISA-N 0 0 235.287 2.759 20 5 BFBDRN CCN(c1ncc(C)cc1[N+](=O)[O-])C(C)C ZINC000266241895 351287050 /nfs/dbraw/zinc/28/70/50/351287050.db2.gz XPWKRCKRMLKQAB-UHFFFAOYSA-N 0 0 223.276 2.533 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ZINC000131048084 370959170 /nfs/dbraw/zinc/95/91/70/370959170.db2.gz SMHBVMHLZPLDDT-UHFFFAOYSA-N 0 0 248.263 2.847 20 5 BFBDRN CN(c1ccncc1[N+](=O)[O-])C1CCCCC1 ZINC000060342789 369474602 /nfs/dbraw/zinc/47/46/02/369474602.db2.gz LGDZTBVPUALFKA-UHFFFAOYSA-N 0 0 235.287 2.759 20 5 BFBDRN O=[N+]([O-])c1cnccc1Oc1cccc(F)c1 ZINC000060375175 369478026 /nfs/dbraw/zinc/47/80/26/369478026.db2.gz BNTKFPWIWVPXGW-UHFFFAOYSA-N 0 0 234.186 2.921 20 5 BFBDRN O=[N+]([O-])c1ccc(NCCCCF)s1 ZINC000308516128 370139663 /nfs/dbraw/zinc/13/96/63/370139663.db2.gz NOOSBRQMHPNDQJ-UHFFFAOYSA-N 0 0 218.253 2.818 20 5 BFBDRN Cc1noc(/C=C/c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000349771858 370432775 /nfs/dbraw/zinc/43/27/75/370432775.db2.gz YSXLPVRGLWGSKO-HWKANZROSA-N 0 0 249.201 2.596 20 5 BFBDRN CC(C)[C@H](C)CNc1ccc([N+](=O)[O-])cn1 ZINC000077897390 370493502 /nfs/dbraw/zinc/49/35/02/370493502.db2.gz JXGXDENLICQSKR-SECBINFHSA-N 0 0 223.276 2.694 20 5 BFBDRN CC[C@]1(C)CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000619696873 370582165 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ZINC000304331197 371780921 /nfs/dbraw/zinc/78/09/21/371780921.db2.gz HNYOSOMYJVXQOS-MRVPVSSYSA-N 0 0 241.678 2.854 20 5 BFBDRN CC1(C)C[C@@H]1Nc1c(Cl)cncc1[N+](=O)[O-] ZINC000304331202 371781064 /nfs/dbraw/zinc/78/10/64/371781064.db2.gz HNYOSOMYJVXQOS-QMMMGPOBSA-N 0 0 241.678 2.854 20 5 BFBDRN C[C@@H]1C[C@@H]1CNc1ccccc1[N+](=O)[O-] ZINC000132277616 371781749 /nfs/dbraw/zinc/78/17/49/371781749.db2.gz XFPQQFIATJLEIG-RKDXNWHRSA-N 0 0 206.245 2.663 20 5 BFBDRN C[C@@H](Nc1ncc([N+](=O)[O-])s1)C1CCC1 ZINC000226777023 371742872 /nfs/dbraw/zinc/74/28/72/371742872.db2.gz JVUHRUAJGZIHGR-ZCFIWIBFSA-N 0 0 227.289 2.652 20 5 BFBDRN CC[C@@H](C)CSCc1cn(C)nc1[N+](=O)[O-] ZINC000603329304 371884501 /nfs/dbraw/zinc/88/45/01/371884501.db2.gz LJOADWLEFUNHOF-MRVPVSSYSA-N 0 0 243.332 2.608 20 5 BFBDRN Cc1cc(NCC2CSC2)ccc1[N+](=O)[O-] ZINC000603414051 371892878 /nfs/dbraw/zinc/89/28/78/371892878.db2.gz NPJQKVOPTMHTEX-UHFFFAOYSA-N 0 0 238.312 2.678 20 5 BFBDRN Cc1occc1CNc1cccnc1[N+](=O)[O-] ZINC000604304437 371965703 /nfs/dbraw/zinc/96/57/03/371965703.db2.gz BGQJRQGAJCWIRS-UHFFFAOYSA-N 0 0 233.227 2.503 20 5 BFBDRN C[C@H]1CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000604403041 371974479 /nfs/dbraw/zinc/97/44/79/371974479.db2.gz CYPTWPRDMCDZSS-ZETCQYMHSA-N 0 0 226.663 2.847 20 5 BFBDRN C[C@H]1CCCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000604487141 371981908 /nfs/dbraw/zinc/98/19/08/371981908.db2.gz OROPYSJTVCYXLL-JTQLQIEISA-N 0 0 235.287 2.616 20 5 BFBDRN C[C@H]1CCC[C@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000230692833 371949359 /nfs/dbraw/zinc/94/93/59/371949359.db2.gz YHCVQAQQGSZFLN-YUMQZZPRSA-N 0 0 241.316 2.899 20 5 BFBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000228497025 372035711 /nfs/dbraw/zinc/03/57/11/372035711.db2.gz RZVWOZRMHZNIEO-ZCFIWIBFSA-N 0 0 216.187 2.660 20 5 BFBDRN O=[N+]([O-])c1ncccc1Nc1ccccc1 ZINC000059284517 372160038 /nfs/dbraw/zinc/16/00/38/372160038.db2.gz HSBAXBJPTWDJFX-UHFFFAOYSA-N 0 0 215.212 2.733 20 5 BFBDRN O=C(COc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000135027067 182004995 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/nfs/dbraw/zinc/95/13/88/182951388.db2.gz JYTFOXFIEIOHEU-NSHDSACASA-N 0 0 232.283 2.831 20 5 BFBDRN O=[N+]([O-])c1ccccc1NC[C@@H]1CCCCO1 ZINC000042822036 182951436 /nfs/dbraw/zinc/95/14/36/182951436.db2.gz KGEIVTSEUUGNMJ-JTQLQIEISA-N 0 0 236.271 2.576 20 5 BFBDRN CCCN(C)c1ccc([N+](=O)[O-])cc1C ZINC000301449523 169088331 /nfs/dbraw/zinc/08/83/31/169088331.db2.gz SCQGVWHYRRUQIF-UHFFFAOYSA-N 0 0 208.261 2.749 20 5 BFBDRN CCCN(CC1CC1)c1ncccc1[N+](=O)[O-] ZINC000269405922 169137450 /nfs/dbraw/zinc/13/74/50/169137450.db2.gz HLQIEZDOFWSKBH-UHFFFAOYSA-N 0 0 235.287 2.616 20 5 BFBDRN CCC[C@@H](CC)Nc1c([N+](=O)[O-])c(C)nn1C ZINC000050164832 169380428 /nfs/dbraw/zinc/38/04/28/169380428.db2.gz QXNIVPVGYBSSSQ-SECBINFHSA-N 0 0 240.307 2.627 20 5 BFBDRN O=[N+]([O-])c1ccc(NCCCOC(F)F)cc1 ZINC000193612627 259607141 /nfs/dbraw/zinc/60/71/41/259607141.db2.gz UAPWSFLWOSINMK-UHFFFAOYSA-N 0 0 246.213 2.636 20 5 BFBDRN CCOCCSCc1ccc([N+](=O)[O-])cc1 ZINC000194544617 259622327 /nfs/dbraw/zinc/62/23/27/259622327.db2.gz BUDWJKITPXITRE-UHFFFAOYSA-N 0 0 241.312 2.865 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[C@H]2F)n1 ZINC000338824666 383837506 /nfs/dbraw/zinc/83/75/06/383837506.db2.gz OZSGSUNPVOVLQI-RKDXNWHRSA-N 0 0 239.250 2.601 20 5 BFBDRN Cc1ccnc(N[C@H]2CCC[C@H]2F)c1[N+](=O)[O-] ZINC000338844084 383837820 /nfs/dbraw/zinc/83/78/20/383837820.db2.gz PRNNJRWJTUTXGD-BDAKNGLRSA-N 0 0 239.250 2.601 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H](C)CF)c1 ZINC000288323136 383863014 /nfs/dbraw/zinc/86/30/14/383863014.db2.gz UZBYYTQPEZNNGH-QMMMGPOBSA-N 0 0 212.224 2.673 20 5 BFBDRN CC(C)(C)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000098068303 383874207 /nfs/dbraw/zinc/87/42/07/383874207.db2.gz ICGUHVPGWNAFFA-UHFFFAOYSA-N 0 0 237.259 2.515 20 5 BFBDRN C[C@@]1(F)CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000334439643 383877082 /nfs/dbraw/zinc/87/70/82/383877082.db2.gz VBFJGPJXITZJNQ-GFCCVEGCSA-N 0 0 238.262 2.529 20 5 BFBDRN Cc1cn(C[C@H]2CCC(F)(F)C2)nc1[N+](=O)[O-] ZINC000334948723 383986887 /nfs/dbraw/zinc/98/68/87/383986887.db2.gz CPGHBVZZBFKECQ-QMMMGPOBSA-N 0 0 245.229 2.535 20 5 BFBDRN Cc1cc(=O)n(CCC(C)(C)C)cc1[N+](=O)[O-] ZINC000284251097 384009092 /nfs/dbraw/zinc/00/90/92/384009092.db2.gz OMJFCPPQCXVMFQ-UHFFFAOYSA-N 0 0 238.287 2.501 20 5 BFBDRN Nc1ccc(N[C@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000287352562 384010686 /nfs/dbraw/zinc/01/06/86/384010686.db2.gz PKOBKSSERMXKEH-JTQLQIEISA-N 0 0 233.271 2.698 20 5 BFBDRN Cn1ccc(CSc2cccc([N+](=O)[O-])c2)n1 ZINC000337906796 384041388 /nfs/dbraw/zinc/04/13/88/384041388.db2.gz DBCKUEYCLZLJDJ-UHFFFAOYSA-N 0 0 249.295 2.621 20 5 BFBDRN CCCCCn1nc(C)c([N+](=O)[O-])c1C ZINC000060816069 384053996 /nfs/dbraw/zinc/05/39/96/384053996.db2.gz HBUUOOOONKBVJL-UHFFFAOYSA-N 0 0 211.265 2.598 20 5 BFBDRN Cc1ccoc1CNc1ncc([N+](=O)[O-])s1 ZINC000309446146 384065424 /nfs/dbraw/zinc/06/54/24/384065424.db2.gz MZMOLVPPSSFXJX-UHFFFAOYSA-N 0 0 239.256 2.565 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CCc3ccccc32)cn1 ZINC000339964002 384067442 /nfs/dbraw/zinc/06/74/42/384067442.db2.gz XUCFFLGXLRDGRP-UHFFFAOYSA-N 0 0 241.250 2.684 20 5 BFBDRN O=[N+]([O-])c1c(NCCF)ccc2ncccc21 ZINC000310254173 384081150 /nfs/dbraw/zinc/08/11/50/384081150.db2.gz ZIRBEPOQRNGPPQ-UHFFFAOYSA-N 0 0 235.218 2.524 20 5 BFBDRN Cc1c(NC(=O)[C@@H](C)C2CC2)cccc1[N+](=O)[O-] ZINC000178391754 384106092 /nfs/dbraw/zinc/10/60/92/384106092.db2.gz QKOJCIJHUOUOJG-QMMMGPOBSA-N 0 0 248.282 2.888 20 5 BFBDRN CC(C)(C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000289624221 384157648 /nfs/dbraw/zinc/15/76/48/384157648.db2.gz LXHNVBUGQIWOMI-UHFFFAOYSA-N 0 0 248.282 2.970 20 5 BFBDRN Cc1ccnc(N[C@@H]2C[C@H]2C2CC2)c1[N+](=O)[O-] ZINC000362376983 384201141 /nfs/dbraw/zinc/20/11/41/384201141.db2.gz WDLYHAALONYYFR-VHSXEESVSA-N 0 0 233.271 2.509 20 5 BFBDRN CC(=O)c1cc(NCC(C)C)ccc1[N+](=O)[O-] ZINC000285803306 384218806 /nfs/dbraw/zinc/21/88/06/384218806.db2.gz YHFPDJAXMPKPNH-UHFFFAOYSA-N 0 0 236.271 2.865 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@H]2C=CCCC2)cn1 ZINC000336679618 384251604 /nfs/dbraw/zinc/25/16/04/384251604.db2.gz NWPVKKIXIDMKCS-VIFPVBQESA-N 0 0 219.244 2.510 20 5 BFBDRN CS[C@H](C)CNc1c(F)cccc1[N+](=O)[O-] ZINC000286238567 384253669 /nfs/dbraw/zinc/25/36/69/384253669.db2.gz ONCKWEQBZBEKQN-SSDOTTSWSA-N 0 0 244.291 2.897 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(NCCC2(C)CC2)n1 ZINC000359835047 384445963 /nfs/dbraw/zinc/44/59/63/384445963.db2.gz VZEVIWLYFSXZSQ-UHFFFAOYSA-N 0 0 235.287 2.900 20 5 BFBDRN CCC1(C)CN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000359952362 384469467 /nfs/dbraw/zinc/46/94/67/384469467.db2.gz LQPGKIJJWAHJBZ-UHFFFAOYSA-N 0 0 238.262 2.970 20 5 BFBDRN Cc1nc(N(C)[C@H](C)C2CCC2)ccc1[N+](=O)[O-] ZINC000356796724 384486302 /nfs/dbraw/zinc/48/63/02/384486302.db2.gz RWNLXTMJXPDSOJ-SNVBAGLBSA-N 0 0 249.314 2.923 20 5 BFBDRN CC(=O)c1cc([N+](=O)[O-])ccc1OCC1CC1 ZINC000061570221 384503207 /nfs/dbraw/zinc/50/32/07/384503207.db2.gz ZFYCSCSRVJVYDH-UHFFFAOYSA-N 0 0 235.239 2.586 20 5 BFBDRN CC[C@H]1C[C@H]1Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000227285687 384534097 /nfs/dbraw/zinc/53/40/97/384534097.db2.gz OGBBSJDHDPKWOT-POYBYMJQSA-N 0 0 241.678 2.854 20 5 BFBDRN O=[N+]([O-])c1cccc(F)c1OCCC1CC1 ZINC000340703349 384545743 /nfs/dbraw/zinc/54/57/43/384545743.db2.gz JZJFZHNEIHWHJO-UHFFFAOYSA-N 0 0 225.219 2.913 20 5 BFBDRN O=[N+]([O-])c1ccccc1COc1ccncc1 ZINC000143080669 384552223 /nfs/dbraw/zinc/55/22/23/384552223.db2.gz MFPTUXPGYJXMBH-UHFFFAOYSA-N 0 0 230.223 2.569 20 5 BFBDRN C[C@H](CO)S[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000361422245 384695936 /nfs/dbraw/zinc/69/59/36/384695936.db2.gz ZBOABOGFRSGDEE-RKDXNWHRSA-N 0 0 241.312 2.770 20 5 BFBDRN Cc1cnc(N[C@H]2CC[C@H](F)C2)c([N+](=O)[O-])c1 ZINC000340871672 384732369 /nfs/dbraw/zinc/73/23/69/384732369.db2.gz HUCSGFJADMTFRK-IUCAKERBSA-N 0 0 239.250 2.601 20 5 BFBDRN C[C@@H](O)CCCn1ccc2c1cccc2[N+](=O)[O-] ZINC000311094079 384738402 /nfs/dbraw/zinc/73/84/02/384738402.db2.gz ITYKBJAIKTYDRV-SNVBAGLBSA-N 0 0 248.282 2.711 20 5 BFBDRN Cc1nc(NC2CC(C)(F)C2)ccc1[N+](=O)[O-] ZINC000450585244 384826668 /nfs/dbraw/zinc/82/66/68/384826668.db2.gz YWXSZHVPXLSPIL-UHFFFAOYSA-N 0 0 239.250 2.601 20 5 BFBDRN C[C@@H]1CCC[C@@H](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000180851020 384802229 /nfs/dbraw/zinc/80/22/29/384802229.db2.gz QEFPEFHJUABHQT-NXEZZACHSA-N 0 0 223.276 2.618 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N2C[C@H]3CCC[C@@H]3C2)n1 ZINC000178256958 384870212 /nfs/dbraw/zinc/87/02/12/384870212.db2.gz GRDGAZAYVCMTEU-GHMZBOCLSA-N 0 0 247.298 2.535 20 5 BFBDRN CCc1ccc(OC[C@@H](C)OC)c([N+](=O)[O-])c1 ZINC000181000642 384872157 /nfs/dbraw/zinc/87/21/57/384872157.db2.gz MFRCIXDQONUUIR-SECBINFHSA-N 0 0 239.271 2.571 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(NCC2CC2)c1 ZINC000084726175 384865208 /nfs/dbraw/zinc/86/52/08/384865208.db2.gz BCWGSHCWGRBGEH-UHFFFAOYSA-N 0 0 206.245 2.725 20 5 BFBDRN Nc1ccc(NC2CCCCC2)c([N+](=O)[O-])c1 ZINC000071545471 384968343 /nfs/dbraw/zinc/96/83/43/384968343.db2.gz PNYBGQZVUJYEMS-UHFFFAOYSA-N 0 0 235.287 2.922 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N2CC(C)(C)C[C@H]2C)n1 ZINC000584040463 385009467 /nfs/dbraw/zinc/00/94/67/385009467.db2.gz ZTDUORDBAHITAL-SNVBAGLBSA-N 0 0 249.314 2.923 20 5 BFBDRN CCC1(CNc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000226808338 385054860 /nfs/dbraw/zinc/05/48/60/385054860.db2.gz OAYDCSFEAGXPPU-UHFFFAOYSA-N 0 0 235.287 2.900 20 5 BFBDRN CO[C@@H](C)CCNc1c(C)cccc1[N+](=O)[O-] ZINC000263685522 385107710 /nfs/dbraw/zinc/10/77/10/385107710.db2.gz AUECKDKTPJOMFQ-JTQLQIEISA-N 0 0 238.287 2.740 20 5 BFBDRN CC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1F ZINC000177046411 385193592 /nfs/dbraw/zinc/19/35/92/385193592.db2.gz URUWFMRUWWCOAD-SSDOTTSWSA-N 0 0 243.259 2.804 20 5 BFBDRN CC[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])OC ZINC000290754862 385169218 /nfs/dbraw/zinc/16/92/18/385169218.db2.gz SXSBQHQJXVLFCR-VIFPVBQESA-N 0 0 242.250 2.571 20 5 BFBDRN CCNc1ccc(C(=O)CC)cc1[N+](=O)[O-] ZINC000279974497 385240770 /nfs/dbraw/zinc/24/07/70/385240770.db2.gz DSYLLRZUMUDHSI-UHFFFAOYSA-N 0 0 222.244 2.619 20 5 BFBDRN CSCn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000338565095 385253850 /nfs/dbraw/zinc/25/38/50/385253850.db2.gz YYSZPBOYEXTTGN-UHFFFAOYSA-N 0 0 249.295 2.779 20 5 BFBDRN CC[C@@H](CSC)Nc1ncc([N+](=O)[O-])s1 ZINC000189690410 385280364 /nfs/dbraw/zinc/28/03/64/385280364.db2.gz IAYZEAYJCHLJQW-LURJTMIESA-N 0 0 247.345 2.605 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N(C)CC2CCCC2)n1 ZINC000178200586 385343509 /nfs/dbraw/zinc/34/35/09/385343509.db2.gz OVFQURMPDLKEMR-UHFFFAOYSA-N 0 0 249.314 2.925 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[C@@H]2C)n1 ZINC000309236840 385494677 /nfs/dbraw/zinc/49/46/77/385494677.db2.gz VJXDYBFTIQYXKE-CBAPKCEASA-N 0 0 221.260 2.509 20 5 BFBDRN CNc1cc(C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000336675508 385596758 /nfs/dbraw/zinc/59/67/58/385596758.db2.gz BKTJZLRMGDONLL-UHFFFAOYSA-N 0 0 234.177 2.964 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(N2[C@H](C)CC[C@H]2C)n1 ZINC000408172527 385605765 /nfs/dbraw/zinc/60/57/65/385605765.db2.gz XOFFWWSDQZGTRL-GHMZBOCLSA-N 0 0 249.314 2.984 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(N2[C@H](C)CC[C@@H]2C)n1 ZINC000408172528 385605993 /nfs/dbraw/zinc/60/59/93/385605993.db2.gz XOFFWWSDQZGTRL-PHIMTYICSA-N 0 0 249.314 2.984 20 5 BFBDRN CCC1(C)CN(c2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000292210429 385618489 /nfs/dbraw/zinc/61/84/89/385618489.db2.gz DCAHNUNBTRWSTH-UHFFFAOYSA-N 0 0 235.287 2.535 20 5 BFBDRN Cc1cc(-c2nc(C3CC3)no2)ccc1[N+](=O)[O-] ZINC000264605346 385683994 /nfs/dbraw/zinc/68/39/94/385683994.db2.gz MNUAQLROTOPRLK-UHFFFAOYSA-N 0 0 245.238 2.831 20 5 BFBDRN COc1cccc([N+](=O)[O-])c1NC[C@@H]1C[C@@H]1C ZINC000572303830 385693180 /nfs/dbraw/zinc/69/31/80/385693180.db2.gz YMBWMEABGNHLHT-IUCAKERBSA-N 0 0 236.271 2.671 20 5 BFBDRN CCc1ccc(CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000265617178 385696115 /nfs/dbraw/zinc/69/61/15/385696115.db2.gz WSJILUWVOWSQKH-UHFFFAOYSA-N 0 0 245.282 2.596 20 5 BFBDRN CCC1(C)CN(c2ncc(C)cc2[N+](=O)[O-])C1 ZINC000292397419 385698540 /nfs/dbraw/zinc/69/85/40/385698540.db2.gz RIIXWGZIDGOMGS-UHFFFAOYSA-N 0 0 235.287 2.535 20 5 BFBDRN Cc1cnc(NCC2(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000228665918 385723538 /nfs/dbraw/zinc/72/35/38/385723538.db2.gz PXRUBUPVJINTEG-UHFFFAOYSA-N 0 0 247.298 2.900 20 5 BFBDRN CO[C@H](C)COc1cc(Cl)ccc1[N+](=O)[O-] ZINC000164021579 385903484 /nfs/dbraw/zinc/90/34/84/385903484.db2.gz YXDYJDKOYIIGBD-SSDOTTSWSA-N 0 0 245.662 2.662 20 5 BFBDRN O=[N+]([O-])c1ccc(-c2nc(C3CCCC3)no2)[nH]1 ZINC000265054617 385913719 /nfs/dbraw/zinc/91/37/19/385913719.db2.gz UBLCSFYIEWWLIY-UHFFFAOYSA-N 0 0 248.242 2.631 20 5 BFBDRN C/C=C(\C)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000182439808 385862202 /nfs/dbraw/zinc/86/22/02/385862202.db2.gz WFLFDRFYQMAOIQ-XBXARRHUSA-N 0 0 234.255 2.808 20 5 BFBDRN CN(CC1CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000342210766 385874575 /nfs/dbraw/zinc/87/45/75/385874575.db2.gz TZXKCCQXFMESJN-UHFFFAOYSA-N 0 0 238.262 2.970 20 5 BFBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C=C1CCC1 ZINC000086963748 385972923 /nfs/dbraw/zinc/97/29/23/385972923.db2.gz NHXBQHCDIFIRGO-UHFFFAOYSA-N 0 0 246.266 2.952 20 5 BFBDRN CSCCOc1cccc([N+](=O)[O-])c1C ZINC000134211045 386070270 /nfs/dbraw/zinc/07/02/70/386070270.db2.gz KSKHCDVNFWKKEQ-UHFFFAOYSA-N 0 0 227.285 2.645 20 5 BFBDRN Cc1cnc(CNc2ccc(C)cc2[N+](=O)[O-])o1 ZINC000229328514 386162738 /nfs/dbraw/zinc/16/27/38/386162738.db2.gz MICXXEFWHRDGMY-UHFFFAOYSA-N 0 0 247.254 2.812 20 5 BFBDRN Cc1cnc(N2CC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000408362004 386244777 /nfs/dbraw/zinc/24/47/77/386244777.db2.gz KYBCZXDPRDVZGK-QWRGUYRKSA-N 0 0 247.298 2.677 20 5 BFBDRN C[C@@H](Nc1ncccc1[N+](=O)[O-])C1CCC1 ZINC000160061873 386260959 /nfs/dbraw/zinc/26/09/59/386260959.db2.gz KGZCXMOQHARUHT-MRVPVSSYSA-N 0 0 221.260 2.590 20 5 BFBDRN COCc1cc([N+](=O)[O-])ccc1NCC1CC1 ZINC000267255195 386261157 /nfs/dbraw/zinc/26/11/57/386261157.db2.gz VKKUWPBSWCFWRG-UHFFFAOYSA-N 0 0 236.271 2.563 20 5 BFBDRN Cc1c([N+](=O)[O-])ccc(=O)n1CCC(C)(C)C ZINC000294160853 386441692 /nfs/dbraw/zinc/44/16/92/386441692.db2.gz BUBDUAAHGMMNGI-UHFFFAOYSA-N 0 0 238.287 2.501 20 5 BFBDRN O=[N+]([O-])c1ccc(/C=C\c2cccc(O)c2)nc1 ZINC000439533227 386493846 /nfs/dbraw/zinc/49/38/46/386493846.db2.gz YDRGKOAAAVNIPV-PLNGDYQASA-N 0 0 242.234 2.866 20 5 BFBDRN O=[N+]([O-])c1cccc(C[N@@H+]2CC3CCC2CC3)c1 ZINC000367396931 386505958 /nfs/dbraw/zinc/50/59/58/386505958.db2.gz OQEQEOSUQAIJHW-UHFFFAOYSA-N 0 0 246.310 2.969 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(NCc2ccncc2)c1 ZINC000094659372 386465805 /nfs/dbraw/zinc/46/58/05/386465805.db2.gz CNHPSRXBRHVWFF-UHFFFAOYSA-N 0 0 243.266 2.910 20 5 BFBDRN CC(F)(F)CCNc1cc(N)ccc1[N+](=O)[O-] ZINC000294860147 386659988 /nfs/dbraw/zinc/65/99/88/386659988.db2.gz DCDLZPCERPTQLV-UHFFFAOYSA-N 0 0 245.229 2.634 20 5 BFBDRN O=[N+]([O-])c1cccc(F)c1N[C@@H]1CCSC1 ZINC000088134534 386840695 /nfs/dbraw/zinc/84/06/95/386840695.db2.gz YXTZFYQGFRZOTK-SSDOTTSWSA-N 0 0 242.275 2.651 20 5 BFBDRN O=[N+]([O-])c1ccccc1N1C[C@@H]2CCC[C@@H]2C1 ZINC000268205260 386904294 /nfs/dbraw/zinc/90/42/94/386904294.db2.gz GZOUBLCHRLMLBF-PHIMTYICSA-N 0 0 232.283 2.831 20 5 BFBDRN O=[N+]([O-])c1ccc(N2C[C@H]3CCC[C@@H]3C2)cc1 ZINC000268269193 386947265 /nfs/dbraw/zinc/94/72/65/386947265.db2.gz TYSNHQRSOXNKGJ-GHMZBOCLSA-N 0 0 232.283 2.831 20 5 BFBDRN Cc1nocc1COc1ccc(C)c([N+](=O)[O-])c1 ZINC000519183213 386993333 /nfs/dbraw/zinc/99/33/33/386993333.db2.gz LMUBVUFYILBLCP-UHFFFAOYSA-N 0 0 248.238 2.779 20 5 BFBDRN CC(F)(F)CCNc1ccc(N)cc1[N+](=O)[O-] ZINC000295006587 387067150 /nfs/dbraw/zinc/06/71/50/387067150.db2.gz SKNZGBHJSBRQKJ-UHFFFAOYSA-N 0 0 245.229 2.634 20 5 BFBDRN CCCCCn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000185176870 387010854 /nfs/dbraw/zinc/01/08/54/387010854.db2.gz XOJJNRXSVIBAKI-UHFFFAOYSA-N 0 0 223.276 2.859 20 5 BFBDRN CC/C=C/CCOc1cccnc1[N+](=O)[O-] ZINC000185182095 387013606 /nfs/dbraw/zinc/01/36/06/387013606.db2.gz MOHDOIOYNPDTNB-ONEGZZNKSA-N 0 0 222.244 2.725 20 5 BFBDRN CC[C@@H](C)C[C@@H](C)Nc1ncc([N+](=O)[O-])cn1 ZINC000088299060 387017894 /nfs/dbraw/zinc/01/78/94/387017894.db2.gz MHMVHZDKEKIYEH-RKDXNWHRSA-N 0 0 238.291 2.621 20 5 BFBDRN C[C@H]1OCC[C@@H]1Sc1ccccc1[N+](=O)[O-] ZINC000269895243 387154939 /nfs/dbraw/zinc/15/49/39/387154939.db2.gz DJVPAJAWQLHTBL-SCZZXKLOSA-N 0 0 239.296 2.864 20 5 BFBDRN CC(C)=CCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000191839066 387165059 /nfs/dbraw/zinc/16/50/59/387165059.db2.gz XXWWFAVJXSGTNV-UHFFFAOYSA-N 0 0 248.282 2.599 20 5 BFBDRN O=[N+]([O-])c1cccnc1Sc1cccc(O)c1 ZINC000130420021 387221222 /nfs/dbraw/zinc/22/12/22/387221222.db2.gz PGKRUZLGNMLLSC-UHFFFAOYSA-N 0 0 248.263 2.847 20 5 BFBDRN CC[C@H](F)CNc1cc([N+](=O)[O-])ccc1OC ZINC000442084882 387299150 /nfs/dbraw/zinc/29/91/50/387299150.db2.gz GSAPQVZKDKXGAG-QMMMGPOBSA-N 0 0 242.250 2.763 20 5 BFBDRN CSCCOc1ccc([N+](=O)[O-])c(F)c1F ZINC000295711128 387372615 /nfs/dbraw/zinc/37/26/15/387372615.db2.gz GGCXWMRYANCXEI-UHFFFAOYSA-N 0 0 249.238 2.615 20 5 BFBDRN CC[C@H](F)CSc1ccc([N+](=O)[O-])cn1 ZINC000440584014 387344768 /nfs/dbraw/zinc/34/47/68/387344768.db2.gz MFFADVKIKNEPHS-ZETCQYMHSA-N 0 0 230.264 2.830 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@H]1C ZINC000192732762 387408464 /nfs/dbraw/zinc/40/84/64/387408464.db2.gz JMUDCADTTWIGII-GMSGAONNSA-N 0 0 248.282 2.806 20 5 BFBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000035239324 387512535 /nfs/dbraw/zinc/51/25/35/387512535.db2.gz FTVOJFHNXKBLLM-SSDOTTSWSA-N 0 0 224.235 2.944 20 5 BFBDRN CCCCCNc1nc(C)ccc1[N+](=O)[O-] ZINC000088036099 387525953 /nfs/dbraw/zinc/52/59/53/387525953.db2.gz VNJUFSYMRDJWAN-UHFFFAOYSA-N 0 0 223.276 2.900 20 5 BFBDRN CC/C=C/CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000296007168 387603721 /nfs/dbraw/zinc/60/37/21/387603721.db2.gz SQDLYJBLRUPBFS-SNAWJCMRSA-N 0 0 248.282 2.599 20 5 BFBDRN O=[N+]([O-])c1ccc(NCC(F)F)c(Cl)c1 ZINC000075060048 387692533 /nfs/dbraw/zinc/69/25/33/387692533.db2.gz XALOMHNKEBWIOT-UHFFFAOYSA-N 0 0 236.605 2.925 20 5 BFBDRN COc1cccc([N+](=O)[O-])c1NC1CCC1 ZINC000520428402 387778604 /nfs/dbraw/zinc/77/86/04/387778604.db2.gz TVTAGDNFHDFQDX-UHFFFAOYSA-N 0 0 222.244 2.568 20 5 BFBDRN O=Cc1cc([N+](=O)[O-])ccc1O[C@H]1C=CCCC1 ZINC000169226290 388085814 /nfs/dbraw/zinc/08/58/14/388085814.db2.gz SFLPDBXKXHQZEQ-LBPRGKRZSA-N 0 0 247.250 2.895 20 5 BFBDRN Cc1n[nH]c(C)c1CNc1ccc([N+](=O)[O-])cc1 ZINC000037061618 388096760 /nfs/dbraw/zinc/09/67/60/388096760.db2.gz OJRRAHGSVGKFGU-UHFFFAOYSA-N 0 0 246.270 2.547 20 5 BFBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[C@@H]1C ZINC000589808202 388117228 /nfs/dbraw/zinc/11/72/28/388117228.db2.gz JRAOGLOCGGWZCP-KWQFWETISA-N 0 0 248.282 2.752 20 5 BFBDRN CCC(C)(C)Nc1ncc([N+](=O)[O-])cc1F ZINC000591136888 388132218 /nfs/dbraw/zinc/13/22/18/388132218.db2.gz CLPYFFBLLREJET-UHFFFAOYSA-N 0 0 227.239 2.729 20 5 BFBDRN C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCC1 ZINC000143739574 388266390 /nfs/dbraw/zinc/26/63/90/388266390.db2.gz XBPWHZIAPAXIJN-UHFFFAOYSA-N 0 0 238.262 2.718 20 5 BFBDRN CC(C)=CCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000302871038 388346476 /nfs/dbraw/zinc/34/64/76/388346476.db2.gz BUEDDLUKJYPQBU-UHFFFAOYSA-N 0 0 247.298 2.941 20 5 BFBDRN O=[N+]([O-])c1cccc(Cn2ccnc2C2CC2)c1 ZINC000600610016 388352170 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388673522 /nfs/dbraw/zinc/67/35/22/388673522.db2.gz AIVVYWZOXYWGAC-CBINBANVSA-N 0 0 247.298 2.980 20 5 BFBDRN O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CC23CC3)cs1 ZINC000418100929 388675246 /nfs/dbraw/zinc/67/52/46/388675246.db2.gz RQHRTXABALOFIU-VIFPVBQESA-N 0 0 238.312 2.546 20 5 BFBDRN O=[N+]([O-])c1ccccc1NCCc1cscn1 ZINC000113621716 388675946 /nfs/dbraw/zinc/67/59/46/388675946.db2.gz KXMGEPIQTNUTNV-UHFFFAOYSA-N 0 0 249.295 2.706 20 5 BFBDRN O=[N+]([O-])c1cccnc1Sc1ccncc1 ZINC000301797364 388678147 /nfs/dbraw/zinc/67/81/47/388678147.db2.gz UJRDBJBQHNFART-UHFFFAOYSA-N 0 0 233.252 2.536 20 5 BFBDRN CN(CCC1CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000301793784 388678706 /nfs/dbraw/zinc/67/87/06/388678706.db2.gz SDLOBYGAVCLFBV-UHFFFAOYSA-N 0 0 238.262 2.970 20 5 BFBDRN CC[C@@H](Nc1ccccc1[N+](=O)[O-])[C@@H](O)CC ZINC000313082402 388681934 /nfs/dbraw/zinc/68/19/34/388681934.db2.gz JWPQGJHSROPVBR-SKDRFNHKSA-N 0 0 238.287 2.556 20 5 BFBDRN CC(C)CCSc1ncc([N+](=O)[O-])cn1 ZINC000273616853 388620023 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388794174 /nfs/dbraw/zinc/79/41/74/388794174.db2.gz NWLJHUZFMVWYRG-UHFFFAOYSA-N 0 0 223.276 2.680 20 5 BFBDRN CC(C)(C)CSCCn1cc([N+](=O)[O-])cn1 ZINC000281473067 388803443 /nfs/dbraw/zinc/80/34/43/388803443.db2.gz OHPBUCGDIGCPPZ-UHFFFAOYSA-N 0 0 243.332 2.571 20 5 BFBDRN CCSCCCNc1ncccc1[N+](=O)[O-] ZINC000281720381 388806347 /nfs/dbraw/zinc/80/63/47/388806347.db2.gz ABUCGCYGBJYBJL-UHFFFAOYSA-N 0 0 241.316 2.545 20 5 BFBDRN CCC1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000282090079 388812622 /nfs/dbraw/zinc/81/26/22/388812622.db2.gz IKHQRLDOTIUYBR-UHFFFAOYSA-N 0 0 241.316 2.678 20 5 BFBDRN Cc1cn(Cc2ccc(C)c(C)c2)nc1[N+](=O)[O-] ZINC000282366036 388816281 /nfs/dbraw/zinc/81/62/81/388816281.db2.gz XUKVZVABGHAINZ-UHFFFAOYSA-N 0 0 245.282 2.765 20 5 BFBDRN O=[N+]([O-])c1cc(F)ccc1NC1CC=CC1 ZINC000131107990 388837484 /nfs/dbraw/zinc/83/74/84/388837484.db2.gz FMZYJGSNYCTPMP-UHFFFAOYSA-N 0 0 222.219 2.864 20 5 BFBDRN O=[N+]([O-])c1ccccc1N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000302564976 388847077 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ZINC000266846691 132187744 /nfs/dbraw/zinc/18/77/44/132187744.db2.gz PDPWSSCGPGDOFK-GXSJLCMTSA-N 0 0 249.314 2.923 20 5 BFBDRN Cc1nc(N2CC[C@@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000268433724 132192341 /nfs/dbraw/zinc/19/23/41/132192341.db2.gz BOPNSHASQLACSY-ZJUUUORDSA-N 0 0 249.314 2.923 20 5 BFBDRN CC1=CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000270049223 132195799 /nfs/dbraw/zinc/19/57/99/132195799.db2.gz BVGBYITVTMEZLO-UHFFFAOYSA-N 0 0 218.256 2.751 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C)[C@@H](C)C2)n1 ZINC000270994190 132198406 /nfs/dbraw/zinc/19/84/06/132198406.db2.gz VCLYXXVFEHNFAF-UWVGGRQHSA-N 0 0 249.314 2.781 20 5 BFBDRN Cc1cc([N+](=O)[O-])cnc1N1CC[C@H](C)[C@H](C)C1 ZINC000270954631 132198458 /nfs/dbraw/zinc/19/84/58/132198458.db2.gz MRSIABWWGZJILJ-GXSJLCMTSA-N 0 0 249.314 2.781 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C)[C@H](C)C2)n1 ZINC000270994192 132198511 /nfs/dbraw/zinc/19/85/11/132198511.db2.gz VCLYXXVFEHNFAF-VHSXEESVSA-N 0 0 249.314 2.781 20 5 BFBDRN 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CC[C@H](C)[C@@H](C)Nc1ncc([N+](=O)[O-])c(C)n1 ZINC000295657060 171367258 /nfs/dbraw/zinc/36/72/58/171367258.db2.gz ZWKOEHQTNAZFDS-JGVFFNPUSA-N 0 0 238.291 2.540 20 5 BFBDRN CC[C@H](CSC)Nc1ccc([N+](=O)[O-])cn1 ZINC000162129906 171466472 /nfs/dbraw/zinc/46/64/72/171466472.db2.gz GYPMLEPJPWAIER-MRVPVSSYSA-N 0 0 241.316 2.543 20 5 BFBDRN CCc1noc(-c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000264670791 172072062 /nfs/dbraw/zinc/07/20/62/172072062.db2.gz WVEMGZJPQPYDAS-UHFFFAOYSA-N 0 0 233.227 2.516 20 5 BFBDRN CCc1noc(-c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000264660947 172072820 /nfs/dbraw/zinc/07/28/20/172072820.db2.gz USEREUJGTKTQJP-UHFFFAOYSA-N 0 0 233.227 2.516 20 5 BFBDRN CCn1c(C)nc([N+](=O)[O-])c1Nc1ccccc1 ZINC000288588044 172137741 /nfs/dbraw/zinc/13/77/41/172137741.db2.gz MRVAABAAGQEDOK-UHFFFAOYSA-N 0 0 246.270 2.863 20 5 BFBDRN COCCC(C)(C)Nc1ccccc1[N+](=O)[O-] ZINC000353275265 174148722 /nfs/dbraw/zinc/14/87/22/174148722.db2.gz QSFCXAUUXUHNGI-UHFFFAOYSA-N 0 0 238.287 2.822 20 5 BFBDRN COCCCCCNc1ccc([N+](=O)[O-])cc1 ZINC000058554399 174184478 /nfs/dbraw/zinc/18/44/78/174184478.db2.gz HGOAKRPEEBJTFJ-UHFFFAOYSA-N 0 0 238.287 2.823 20 5 BFBDRN COCCCNc1c(Cl)cccc1[N+](=O)[O-] ZINC000050351895 174251669 /nfs/dbraw/zinc/25/16/69/174251669.db2.gz PPHVDABSXOKOGV-UHFFFAOYSA-N 0 0 244.678 2.697 20 5 BFBDRN COC[C@H](C)CNc1cc(C)ccc1[N+](=O)[O-] ZINC000094659601 174533841 /nfs/dbraw/zinc/53/38/41/174533841.db2.gz OMNSTMHMIFZQCZ-SNVBAGLBSA-N 0 0 238.287 2.598 20 5 BFBDRN CO[C@H](C)[C@H](C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000276258098 174852549 /nfs/dbraw/zinc/85/25/49/174852549.db2.gz FHEORWJOKHZYPX-JGVFFNPUSA-N 0 0 242.250 2.569 20 5 BFBDRN COc1cc(NCC[C@H](C)F)ccc1[N+](=O)[O-] ZINC000338750379 175002310 /nfs/dbraw/zinc/00/23/10/175002310.db2.gz LUZAKBXZYMOSOB-QMMMGPOBSA-N 0 0 242.250 2.763 20 5 BFBDRN COc1cc(OCCC2CC2)ccc1[N+](=O)[O-] ZINC000340703175 175012039 /nfs/dbraw/zinc/01/20/39/175012039.db2.gz ICWSHLONKURXKO-UHFFFAOYSA-N 0 0 237.255 2.782 20 5 BFBDRN COc1ccc(OCCC2CC2)cc1[N+](=O)[O-] ZINC000358959850 175172063 /nfs/dbraw/zinc/17/20/63/175172063.db2.gz CKHSHUVMFGSQAW-UHFFFAOYSA-N 0 0 237.255 2.782 20 5 BFBDRN COc1cccc(N2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000185500761 175275118 /nfs/dbraw/zinc/27/51/18/175275118.db2.gz INOBELBXHGMJAB-SECBINFHSA-N 0 0 236.271 2.592 20 5 BFBDRN COc1cccc(NC[C@@H]2C[C@@H]2C)c1[N+](=O)[O-] ZINC000159409358 175278889 /nfs/dbraw/zinc/27/88/89/175278889.db2.gz AYXXFZAFCWEMHG-IUCAKERBSA-N 0 0 236.271 2.671 20 5 BFBDRN CSCCNc1c(C)cccc1[N+](=O)[O-] ZINC000114486399 175498649 /nfs/dbraw/zinc/49/86/49/175498649.db2.gz IMKMUBKFENPAKA-UHFFFAOYSA-N 0 0 226.301 2.678 20 5 BFBDRN C[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000021792545 176089706 /nfs/dbraw/zinc/08/97/06/176089706.db2.gz JRPYLOPJQADGJV-MWLCHTKSSA-N 0 0 235.287 2.980 20 5 BFBDRN C[C@@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000078512076 176131408 /nfs/dbraw/zinc/13/14/08/176131408.db2.gz LKFAKGFSKFRLFL-SKDRFNHKSA-N 0 0 248.282 2.513 20 5 BFBDRN C[C@@H]1C[C@H](C)CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000301760107 176181528 /nfs/dbraw/zinc/18/15/28/176181528.db2.gz CAJCKDPOXIRPGY-GHMZBOCLSA-N 0 0 249.314 2.862 20 5 BFBDRN C[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000301453098 176319338 /nfs/dbraw/zinc/31/93/38/176319338.db2.gz QZJULBOSLVJTJB-DTORHVGOSA-N 0 0 238.262 2.826 20 5 BFBDRN C[C@@H]1CN(c2ncc([N+](=O)[O-])s2)C(C)(C)C1 ZINC000281951492 176320900 /nfs/dbraw/zinc/32/09/00/176320900.db2.gz QAWDWRAKBUAAMI-ZETCQYMHSA-N 0 0 241.316 2.676 20 5 BFBDRN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000070352868 176380222 /nfs/dbraw/zinc/38/02/22/176380222.db2.gz RRPFOAGCQAGCND-KOLCDFICSA-N 0 0 236.271 2.574 20 5 BFBDRN C[C@@H]1C[C@H]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000361466364 176432860 /nfs/dbraw/zinc/43/28/60/176432860.db2.gz QFEYOFUMNJQFQA-ZJUUUORDSA-N 0 0 248.282 2.604 20 5 BFBDRN C[C@@H]1C[C@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000227649364 176441025 /nfs/dbraw/zinc/44/10/25/176441025.db2.gz QBQPSFYOKZKSFM-RQJHMYQMSA-N 0 0 241.678 2.711 20 5 BFBDRN C[C@H](O)[C@H](C)Sc1c(F)cccc1[N+](=O)[O-] ZINC000288433278 177013397 /nfs/dbraw/zinc/01/33/97/177013397.db2.gz OKUHSQUJPASJBB-BQBZGAKWSA-N 0 0 245.275 2.595 20 5 BFBDRN C[C@H](CO)S[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000361422242 177028203 /nfs/dbraw/zinc/02/82/03/177028203.db2.gz ZBOABOGFRSGDEE-BDAKNGLRSA-N 0 0 241.312 2.770 20 5 BFBDRN C[C@H]1CCCCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000193504236 177071165 /nfs/dbraw/zinc/07/11/65/177071165.db2.gz WAODRYLYGGNFHS-JTQLQIEISA-N 0 0 249.314 2.803 20 5 BFBDRN C[C@H]1CCCC[C@@H]1Nc1ccncc1[N+](=O)[O-] ZINC000020370328 177083485 /nfs/dbraw/zinc/08/34/85/177083485.db2.gz YYPXELOOOLRHNG-UWVGGRQHSA-N 0 0 235.287 2.980 20 5 BFBDRN C[C@@H]1[C@@H](C)CCCN1c1ncc([N+](=O)[O-])s1 ZINC000192464113 177104982 /nfs/dbraw/zinc/10/49/82/177104982.db2.gz DSEXJCLZOVMHGB-JGVFFNPUSA-N 0 0 241.316 2.676 20 5 BFBDRN C[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000172811405 177113009 /nfs/dbraw/zinc/11/30/09/177113009.db2.gz 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/nfs/dbraw/zinc/34/16/37/177341637.db2.gz UBWZCRWHIXBAQI-VHSXEESVSA-N 0 0 248.282 2.604 20 5 BFBDRN C[C@H]1C[C@@H]1CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000357303750 177345455 /nfs/dbraw/zinc/34/54/55/177345455.db2.gz ONFRFJZOWBBBQL-DTWKUNHWSA-N 0 0 247.298 2.631 20 5 BFBDRN C[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000070352669 177372457 /nfs/dbraw/zinc/37/24/57/177372457.db2.gz XYNDDTKNEGKTET-VHSXEESVSA-N 0 0 236.271 2.574 20 5 BFBDRN C[C@H]1C[C@H]1CC(=O)N(C)c1cccc([N+](=O)[O-])c1 ZINC000361965689 177377750 /nfs/dbraw/zinc/37/77/50/177377750.db2.gz UBWZCRWHIXBAQI-UWVGGRQHSA-N 0 0 248.282 2.604 20 5 BFBDRN Cc1c(C(=O)N2[C@H](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000336491107 177564074 /nfs/dbraw/zinc/56/40/74/177564074.db2.gz RMTSWFHSPBJMKE-RKDXNWHRSA-N 0 0 248.282 2.526 20 5 BFBDRN Cc1c(NC(=O)C2CC=CC2)cccc1[N+](=O)[O-] ZINC000077734049 177616652 /nfs/dbraw/zinc/61/66/52/177616652.db2.gz WLWVUJWWUTXJLB-UHFFFAOYSA-N 0 0 246.266 2.808 20 5 BFBDRN C[C@@H](F)CCOc1cc(F)cc([N+](=O)[O-])c1 ZINC000505546922 226356623 /nfs/dbraw/zinc/35/66/23/226356623.db2.gz KZWMROTXEVDVLN-SSDOTTSWSA-N 0 0 231.198 2.861 20 5 BFBDRN CC(C)[C@H](C)SCc1c([N+](=O)[O-])ncn1C ZINC000356619555 487820929 /nfs/dbraw/zinc/82/09/29/487820929.db2.gz ZUVBANJBQQJNJO-QMMMGPOBSA-N 0 0 243.332 2.606 20 5 BFBDRN C[C@@H]1C[C@H](C)N1c1c(F)cccc1[N+](=O)[O-] ZINC000561327622 322999734 /nfs/dbraw/zinc/99/97/34/322999734.db2.gz WWGCAUBFLPMKSD-OCAPTIKFSA-N 0 0 224.235 2.721 20 5 BFBDRN C[C@H](C1CC1)N(C)c1ccccc1[N+](=O)[O-] ZINC000562124736 323012373 /nfs/dbraw/zinc/01/23/73/323012373.db2.gz NQMPEHQXTFKKBY-SECBINFHSA-N 0 0 220.272 2.830 20 5 BFBDRN O=[N+]([O-])c1cc(F)cc(OCc2ccccn2)c1 ZINC000135343392 323028545 /nfs/dbraw/zinc/02/85/45/323028545.db2.gz XTQDGUODXUOCKV-UHFFFAOYSA-N 0 0 248.213 2.708 20 5 BFBDRN CCOCCCSc1ccc([N+](=O)[O-])cn1 ZINC000159673765 323043597 /nfs/dbraw/zinc/04/35/97/323043597.db2.gz HEBPYTTVFGEYMH-UHFFFAOYSA-N 0 0 242.300 2.509 20 5 BFBDRN C[C@H]1CC(C)(C)CN1c1ccc([N+](=O)[O-])nc1 ZINC000570687040 323067310 /nfs/dbraw/zinc/06/73/10/323067310.db2.gz BNYGYTRCKITFEH-VIFPVBQESA-N 0 0 235.287 2.615 20 5 BFBDRN O=[N+]([O-])c1cnccc1N[C@H](C1CC1)C1CCC1 ZINC000324912418 323304070 /nfs/dbraw/zinc/30/40/70/323304070.db2.gz QAUZFXADIFSWRB-ZDUSSCGKSA-N 0 0 247.298 2.980 20 5 BFBDRN Cc1ccc(OCc2cccnc2)cc1[N+](=O)[O-] ZINC000193691317 323367034 /nfs/dbraw/zinc/36/70/34/323367034.db2.gz GHTAFWHKFCHDTA-UHFFFAOYSA-N 0 0 244.250 2.877 20 5 BFBDRN C[C@H]1C[C@H]1c1noc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000546475479 325282828 /nfs/dbraw/zinc/28/28/28/325282828.db2.gz IWSXLDOZCJJZAA-OIBJUYFYSA-N 0 0 245.238 2.768 20 5 BFBDRN Cc1ncc([N+](=O)[O-])n1CC1CCC(C)CC1 ZINC000546899547 325317266 /nfs/dbraw/zinc/31/72/66/325317266.db2.gz ZTJOFDASUSYSJD-UHFFFAOYSA-N 0 0 237.303 2.926 20 5 BFBDRN CC(=O)CS[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000081273448 325495065 /nfs/dbraw/zinc/49/50/65/325495065.db2.gz FMSGCQJPCUOYCQ-SECBINFHSA-N 0 0 239.296 2.978 20 5 BFBDRN CN(C(=O)C1=CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000158169051 326310878 /nfs/dbraw/zinc/31/08/78/326310878.db2.gz NOHMHBOVKWHAAI-UHFFFAOYSA-N 0 0 246.266 2.668 20 5 BFBDRN C/C=C/C=C/C(=O)N(C)c1cccc([N+](=O)[O-])c1 ZINC000158564704 326328601 /nfs/dbraw/zinc/32/86/01/326328601.db2.gz VOQRSMRWHAXUMM-PRKJJMSOSA-N 0 0 246.266 2.690 20 5 BFBDRN C[C@H](NCC(F)F)c1ccccc1[N+](=O)[O-] ZINC000147299738 487999035 /nfs/dbraw/zinc/99/90/35/487999035.db2.gz SIFUOYQEQNAZKQ-ZETCQYMHSA-N 0 0 230.214 2.511 20 5 BFBDRN COC(C)(C)CN(C)c1ccsc1[N+](=O)[O-] ZINC000610717346 490301891 /nfs/dbraw/zinc/30/18/91/490301891.db2.gz ROQGYOJVKJTHHZ-UHFFFAOYSA-N 0 0 244.316 2.518 20 5 BFBDRN Cc1ccc([N+](=O)[O-])cc1OCc1ccccn1 ZINC000078755544 490328374 /nfs/dbraw/zinc/32/83/74/490328374.db2.gz KOGWJZUUSSYOJD-UHFFFAOYSA-N 0 0 244.250 2.877 20 5 BFBDRN Cc1ccc([C@H](C)OC(=O)C2CC2)cc1[N+](=O)[O-] ZINC000084808915 490396586 /nfs/dbraw/zinc/39/65/86/490396586.db2.gz KKIIGADWRREMGF-VIFPVBQESA-N 0 0 249.266 2.917 20 5 BFBDRN CC1CN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000487750909 528273682 /nfs/dbraw/zinc/27/36/82/528273682.db2.gz QETYXRCQEDGJAT-UHFFFAOYSA-N 0 0 243.266 2.599 20 5 BFBDRN CC[C@H]1CCN1c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000489058397 529246258 /nfs/dbraw/zinc/24/62/58/529246258.db2.gz NXZJVZLFQNECMM-JTQLQIEISA-N 0 0 235.287 2.595 20 5 BFBDRN CCCCCOc1cccnc1[N+](=O)[O-] ZINC000077896478 535093067 /nfs/dbraw/zinc/09/30/67/535093067.db2.gz MNFXGOGFGVOTFR-UHFFFAOYSA-N 0 0 210.233 2.559 20 5 BFBDRN CN(Cc1cscn1)c1ccccc1[N+](=O)[O-] ZINC000049056342 536485877 /nfs/dbraw/zinc/48/58/77/536485877.db2.gz FVENCKLNNNRHFQ-UHFFFAOYSA-N 0 0 249.295 2.688 20 5 BFBDRN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)[C@@H]1C ZINC000853650742 588752223 /nfs/dbraw/zinc/75/22/23/588752223.db2.gz VPNQPLUOCAAOAW-HTQZYQBOSA-N 0 0 224.235 2.579 20 5 BFBDRN COCc1cc([N+](=O)[O-])ccc1N[C@H]1C=CCC1 ZINC000853800671 588764009 /nfs/dbraw/zinc/76/40/09/588764009.db2.gz XNDIZHYNOSVGGM-NSHDSACASA-N 0 0 248.282 2.872 20 5 BFBDRN CC[C@@H](C)OC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000111677956 588766270 /nfs/dbraw/zinc/76/62/70/588766270.db2.gz JRRUZKWGNNZDAR-SSDOTTSWSA-N 0 0 241.218 2.689 20 5 BFBDRN Cc1cc([N+](=O)[O-])ccc1N1CC2CC1(C)C2 ZINC000853998451 588770949 /nfs/dbraw/zinc/77/09/49/588770949.db2.gz XXOFZHLEXSDNMI-UHFFFAOYSA-N 0 0 232.283 2.892 20 5 BFBDRN CC1=C[C@@H](C)CN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000804683321 582524228 /nfs/dbraw/zinc/52/42/28/582524228.db2.gz SOMWEGAAHYKPMN-SECBINFHSA-N 0 0 247.298 2.579 20 5 BFBDRN Cc1cc(N2CC[C@H]3C[C@H]32)ccc1[N+](=O)[O-] ZINC000804688062 582526511 /nfs/dbraw/zinc/52/65/11/582526511.db2.gz GXXRSABSCOJQAL-JOYOIKCWSA-N 0 0 218.256 2.502 20 5 BFBDRN O=C(O[C@H]1C=CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000208198977 583064299 /nfs/dbraw/zinc/06/42/99/583064299.db2.gz VAAPVTFKOOAIQH-LBPRGKRZSA-N 0 0 247.250 2.860 20 5 BFBDRN CC1CC(CNc2ccc(N)cc2[N+](=O)[O-])C1 ZINC000856787450 588877700 /nfs/dbraw/zinc/87/77/00/588877700.db2.gz CJVJIPWFKIHSHE-UHFFFAOYSA-N 0 0 235.287 2.635 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CC(CC3CC3)C2)cc1 ZINC000856789514 588877959 /nfs/dbraw/zinc/87/79/59/588877959.db2.gz GOOBRUSFFIYZNO-UHFFFAOYSA-N 0 0 232.283 2.831 20 5 BFBDRN CC(C)C(C)(C)Sc1c([N+](=O)[O-])cnn1C ZINC000893499772 583154107 /nfs/dbraw/zinc/15/41/07/583154107.db2.gz VSWRUNNLGBRFJK-UHFFFAOYSA-N 0 0 243.332 2.855 20 5 BFBDRN CCCCC[C@@H](CC)C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814040174 583337398 /nfs/dbraw/zinc/33/73/98/583337398.db2.gz FAEGPKHZRHVYFK-GHMZBOCLSA-N 0 0 245.319 2.801 20 5 BFBDRN CCON(CC)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000879794210 583447930 /nfs/dbraw/zinc/44/79/30/583447930.db2.gz HLQSLLSBPRRRQW-SNVBAGLBSA-N 0 0 238.287 2.929 20 5 BFBDRN C[C@@H]1CCC[C@H]1Nc1ccnc(F)c1[N+](=O)[O-] ZINC000881923435 583588431 /nfs/dbraw/zinc/58/84/31/583588431.db2.gz JRZLCLIMDYSTAM-HTQZYQBOSA-N 0 0 239.250 2.729 20 5 BFBDRN C=C/C=C/CCNc1ncc([N+](=O)[O-])cc1OC ZINC000895131792 583601059 /nfs/dbraw/zinc/60/10/59/583601059.db2.gz KYIUHOOCAUKZRB-SNAWJCMRSA-N 0 0 249.270 2.543 20 5 BFBDRN CC(C)(/C=C/Cl)Nc1ccc([N+](=O)[O-])nc1 ZINC000895915730 583746300 /nfs/dbraw/zinc/74/63/00/583746300.db2.gz ILQYSVWJBHALSP-AATRIKPKSA-N 0 0 241.678 2.933 20 5 BFBDRN CCC[C@@H](O)CCNc1ccccc1[N+](=O)[O-] ZINC000896191540 583781519 /nfs/dbraw/zinc/78/15/19/583781519.db2.gz NTPZHJZPQOSDQT-SNVBAGLBSA-N 0 0 238.287 2.558 20 5 BFBDRN CCC[C@H](O)CCNc1ccc([N+](=O)[O-])s1 ZINC000896192422 583782055 /nfs/dbraw/zinc/78/20/55/583782055.db2.gz WAERUFJUZIHPNC-QMMMGPOBSA-N 0 0 244.316 2.619 20 5 BFBDRN CCC[C@H](O)CCNc1ccc([N+](=O)[O-])cc1 ZINC000896192689 583782157 /nfs/dbraw/zinc/78/21/57/583782157.db2.gz XVEATNYPMJNAHE-LBPRGKRZSA-N 0 0 238.287 2.558 20 5 BFBDRN CC(C)(CNc1ncc([N+](=O)[O-])s1)C1CC1 ZINC000896786184 583833582 /nfs/dbraw/zinc/83/35/82/583833582.db2.gz VESDGFYFCGEJEH-UHFFFAOYSA-N 0 0 241.316 2.899 20 5 BFBDRN Cc1cc(SC2COC2)c(F)cc1[N+](=O)[O-] ZINC000896961640 583864348 /nfs/dbraw/zinc/86/43/48/583864348.db2.gz BNACOVWFYYAFHH-UHFFFAOYSA-N 0 0 243.259 2.533 20 5 BFBDRN CCCC(=O)Oc1ccc(CC)cc1[N+](=O)[O-] ZINC000115927115 588938281 /nfs/dbraw/zinc/93/82/81/588938281.db2.gz HAIVFIGFPUJLLC-UHFFFAOYSA-N 0 0 237.255 2.863 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]3CCC[C@H]32)nc1 ZINC000897176753 583889945 /nfs/dbraw/zinc/88/99/45/583889945.db2.gz DAQQXWSUHRIUMK-FBIMIBRVSA-N 0 0 233.271 2.590 20 5 BFBDRN O=[N+]([O-])c1ncccc1N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000897176818 583890174 /nfs/dbraw/zinc/89/01/74/583890174.db2.gz FGGLWDLDIHFURX-ATZCPNFKSA-N 0 0 233.271 2.590 20 5 BFBDRN Nc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@@H]3CCC[C@@H]23)c1 ZINC000897179093 583891084 /nfs/dbraw/zinc/89/10/84/583891084.db2.gz GFRRANDMGBHPBA-JMJZKYOTSA-N 0 0 247.298 2.778 20 5 BFBDRN Cc1cc(N[C@@H]2C[C@@H]3CCC[C@H]23)ncc1[N+](=O)[O-] ZINC000897179124 583891147 /nfs/dbraw/zinc/89/11/47/583891147.db2.gz GPJGPHNKUJNFHV-GARJFASQSA-N 0 0 247.298 2.899 20 5 BFBDRN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1C[C@H]2CCC[C@H]21 ZINC000897181570 583891499 /nfs/dbraw/zinc/89/14/99/583891499.db2.gz GASHMHVPCJUNBI-YUSALJHKSA-N 0 0 247.298 2.899 20 5 BFBDRN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000897181568 583891899 /nfs/dbraw/zinc/89/18/99/583891899.db2.gz GASHMHVPCJUNBI-ADEWGFFLSA-N 0 0 247.298 2.899 20 5 BFBDRN C[C@@H]1CC=CC[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000897392848 583948662 /nfs/dbraw/zinc/94/86/62/583948662.db2.gz QIQUSIBJGHPFEP-MWLCHTKSSA-N 0 0 233.271 2.756 20 5 BFBDRN CCC/C=C/C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000729346307 583993364 /nfs/dbraw/zinc/99/33/64/583993364.db2.gz PCGORDRCDCIIBV-XBXARRHUSA-N 0 0 248.282 2.567 20 5 BFBDRN Cc1cc(C)c2cccc(OCC[N+](=O)[O-])c2n1 ZINC000899232262 584183696 /nfs/dbraw/zinc/18/36/96/584183696.db2.gz MHGOIGKGPZZTHN-UHFFFAOYSA-N 0 0 246.266 2.507 20 5 BFBDRN C/C=C\CNc1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000858800061 588976883 /nfs/dbraw/zinc/97/68/83/588976883.db2.gz KWCZKXREWQTLKJ-ARJAWSKDSA-N 0 0 240.234 2.731 20 5 BFBDRN C[C@H](SCC[N+](=O)[O-])c1ccccc1 ZINC000901585371 584467690 /nfs/dbraw/zinc/46/76/90/584467690.db2.gz BBXDHOKVCDONKL-VIFPVBQESA-N 0 0 211.286 2.758 20 5 BFBDRN CCCSCc1cccnc1[N+](=O)[O-] ZINC000902296421 584552713 /nfs/dbraw/zinc/55/27/13/584552713.db2.gz JQDNXJMUAJTWIR-UHFFFAOYSA-N 0 0 212.274 2.633 20 5 BFBDRN O=[N+]([O-])c1ccc(SCCOC2CC2)cc1 ZINC000902577537 584637952 /nfs/dbraw/zinc/63/79/52/584637952.db2.gz FSHYYEKHJSYKEL-UHFFFAOYSA-N 0 0 239.296 2.866 20 5 BFBDRN C[C@H]1CCN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000731208713 584923525 /nfs/dbraw/zinc/92/35/25/584923525.db2.gz GGLRFAUANHBDBA-ZETCQYMHSA-N 0 0 249.295 2.803 20 5 BFBDRN CC[C@@H](C)OC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731548337 584927000 /nfs/dbraw/zinc/92/70/00/584927000.db2.gz YQGJENTYXXOBTD-SSDOTTSWSA-N 0 0 241.218 2.689 20 5 BFBDRN Cc1ccc(COC(=O)C2=CCC2)cc1[N+](=O)[O-] ZINC000839396539 585102623 /nfs/dbraw/zinc/10/26/23/585102623.db2.gz OELROHNBUFQKFK-UHFFFAOYSA-N 0 0 247.250 2.667 20 5 BFBDRN C[C@@H]1C[C@H](C)N(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000740870256 585107578 /nfs/dbraw/zinc/10/75/78/585107578.db2.gz CFVCZFDQGDZRSO-BDAKNGLRSA-N 0 0 238.262 2.969 20 5 BFBDRN Cc1ccc([N+](=O)[O-])cc1OC(=O)/C=C/C1CC1 ZINC000744035134 585142178 /nfs/dbraw/zinc/14/21/78/585142178.db2.gz HVCHDIFRIZWHEK-FNORWQNLSA-N 0 0 247.250 2.775 20 5 BFBDRN Cc1cc(C(=O)OCCC2CC2)cc([N+](=O)[O-])c1 ZINC000744284932 585147155 /nfs/dbraw/zinc/14/71/55/585147155.db2.gz OCAKAXBXDOCREN-UHFFFAOYSA-N 0 0 249.266 2.860 20 5 BFBDRN Cc1cccc(C(=O)OC2CCC2)c1[N+](=O)[O-] ZINC000747772327 585184085 /nfs/dbraw/zinc/18/40/85/585184085.db2.gz GRSNBXQJDNGDKW-UHFFFAOYSA-N 0 0 235.239 2.613 20 5 BFBDRN C[C@@H](C(=O)OCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000748139645 585188154 /nfs/dbraw/zinc/18/81/54/585188154.db2.gz BYCBJWPMDCYMTD-SECBINFHSA-N 0 0 249.266 2.684 20 5 BFBDRN C[C@@H](OC(=O)C1CCC1)c1ccccc1[N+](=O)[O-] ZINC000749057337 585199104 /nfs/dbraw/zinc/19/91/04/585199104.db2.gz RHSFHQFUEUMADQ-SECBINFHSA-N 0 0 249.266 2.999 20 5 BFBDRN CC1(C(=O)OCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000750184544 585211905 /nfs/dbraw/zinc/21/19/05/585211905.db2.gz AZZIEQGMTAGAIJ-UHFFFAOYSA-N 0 0 249.266 2.828 20 5 BFBDRN C/C=C(\C)C(=O)OCCc1ccc([N+](=O)[O-])cc1 ZINC000750905831 585221666 /nfs/dbraw/zinc/22/16/66/585221666.db2.gz LIFDVHICQULMOE-XCVCLJGOSA-N 0 0 249.266 2.647 20 5 BFBDRN CC1(C)C[C@H]1C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000751799016 585237029 /nfs/dbraw/zinc/23/70/29/585237029.db2.gz RIKVVKPBRFPPNB-JTQLQIEISA-N 0 0 249.266 2.684 20 5 BFBDRN CC(C)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000755949096 585311389 /nfs/dbraw/zinc/31/13/89/585311389.db2.gz POFMNVIREQEUNW-SECBINFHSA-N 0 0 220.272 2.754 20 5 BFBDRN C[C@@H]1C[C@@H](C)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000756968660 585325794 /nfs/dbraw/zinc/32/57/94/585325794.db2.gz HDVPNUBERCFVJH-NXEZZACHSA-N 0 0 220.272 2.830 20 5 BFBDRN CC1(CC(=O)OCc2ccccc2[N+](=O)[O-])CC1 ZINC000758809428 585360293 /nfs/dbraw/zinc/36/02/93/585360293.db2.gz JUTSPQJJLXJKIY-UHFFFAOYSA-N 0 0 249.266 2.828 20 5 BFBDRN CC[C@H](C)C(=O)Oc1c(C)cccc1[N+](=O)[O-] ZINC000760020106 585384536 /nfs/dbraw/zinc/38/45/36/585384536.db2.gz XCKAPOBHXLIBBA-QMMMGPOBSA-N 0 0 237.255 2.855 20 5 BFBDRN C/C=C/COC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000763404523 585447474 /nfs/dbraw/zinc/44/74/74/585447474.db2.gz HPCVZROONWJXJA-FSIBCCDJSA-N 0 0 249.266 2.818 20 5 BFBDRN C[C@@H](C(=O)OC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000764011536 585458711 /nfs/dbraw/zinc/45/87/11/585458711.db2.gz AVKXRDNIUQDOPF-SECBINFHSA-N 0 0 249.266 2.794 20 5 BFBDRN Cc1cccc(C(=O)O[C@H](C)C2CC2)c1[N+](=O)[O-] ZINC000764374084 585464097 /nfs/dbraw/zinc/46/40/97/585464097.db2.gz RZUXQWAZNBUBSL-SECBINFHSA-N 0 0 249.266 2.859 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CCC=C(F)C2)cc1 ZINC000779428478 585754811 /nfs/dbraw/zinc/75/48/11/585754811.db2.gz FMQUJEGIVSSECJ-UHFFFAOYSA-N 0 0 222.219 2.658 20 5 BFBDRN CCc1csc(-c2cc([N+](=O)[O-])ccc2N)n1 ZINC000780932673 585786561 /nfs/dbraw/zinc/78/65/61/585786561.db2.gz CJDNSFFQSYYJEP-UHFFFAOYSA-N 0 0 249.295 2.863 20 5 BFBDRN O=C(OCC1=CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000790825436 585969843 /nfs/dbraw/zinc/96/98/43/585969843.db2.gz CEPACZLRMHVLOW-UHFFFAOYSA-N 0 0 247.250 2.862 20 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Nc1ccc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000826803456 587362867 /nfs/dbraw/zinc/36/28/67/587362867.db2.gz SLOUPWVLUATEMY-FXPVBKGRSA-N 0 0 247.298 2.778 20 5 BFBDRN CC[C@@H]1C[C@H]1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000828811903 587463521 /nfs/dbraw/zinc/46/35/21/587463521.db2.gz KUQZQHBAGZCMNG-BDAKNGLRSA-N 0 0 235.287 2.635 20 5 BFBDRN CC[C@@H]1C[C@H]1C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000835114318 587784267 /nfs/dbraw/zinc/78/42/67/587784267.db2.gz RCCAAHSBVGOXMN-ZYHUDNBSSA-N 0 0 249.266 2.684 20 5 BFBDRN CC/C(C)=C\C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000835114359 587784286 /nfs/dbraw/zinc/78/42/86/587784286.db2.gz SUMGQHKCAXGIEH-YFHOEESVSA-N 0 0 249.266 2.994 20 5 BFBDRN CCC[C@H](CC(C)C)C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000835466198 587803703 /nfs/dbraw/zinc/80/37/03/587803703.db2.gz HJXBHUZKVRMFAK-WDEREUQCSA-N 0 0 245.319 2.657 20 5 BFBDRN CCCOC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000840656227 587915851 /nfs/dbraw/zinc/91/58/51/587915851.db2.gz 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178275590 /nfs/dbraw/zinc/27/55/90/178275590.db2.gz DUNJBRBSOLOYTL-KWQFWETISA-N 0 0 235.287 2.899 20 5 BFBDRN C[C@H]1CC[C@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC000309299428 259312316 /nfs/dbraw/zinc/31/23/16/259312316.db2.gz LPHRIBMHJJMVNM-OIBJUYFYSA-N 0 0 224.235 2.944 20 5 BFBDRN O=[N+]([O-])c1ccccc1N[C@H]1CCC[C@H]1F ZINC000378838280 346844549 /nfs/dbraw/zinc/84/45/49/346844549.db2.gz WMCFWAHGNAUFLR-BDAKNGLRSA-N 0 0 224.235 2.897 20 5 BFBDRN CCCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000491997 346857258 /nfs/dbraw/zinc/85/72/58/346857258.db2.gz XKQNMBSJPAOLDI-UHFFFAOYSA-N 0 0 242.662 2.987 20 5 BFBDRN CCOC(C)(C)CNc1sccc1[N+](=O)[O-] ZINC000309628529 342759837 /nfs/dbraw/zinc/75/98/37/342759837.db2.gz HBYUQLPOYRNABD-UHFFFAOYSA-N 0 0 244.316 2.883 20 5 BFBDRN CCC(CC)Nc1nccc(C)c1[N+](=O)[O-] ZINC000070062612 168394952 /nfs/dbraw/zinc/39/49/52/168394952.db2.gz MYMKLQKREZDKEY-UHFFFAOYSA-N 0 0 223.276 2.899 20 5 BFBDRN CC1(C)CC[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000286282365 342823026 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C[C@H](NC(=O)C1CCC1)c1ccccc1[N+](=O)[O-] ZINC000271646417 188377111 /nfs/dbraw/zinc/37/71/11/188377111.db2.gz DMBKRQRTBKTMNX-VIFPVBQESA-N 0 0 248.282 2.572 20 5 BFBDRN O=[N+]([O-])c1cc(Cl)ccc1N1CC(CF)C1 ZINC000334577310 354119605 /nfs/dbraw/zinc/11/96/05/354119605.db2.gz CREWGTHTAQQIGO-UHFFFAOYSA-N 0 0 244.653 2.654 20 5 BFBDRN Cc1nn(C[C@H]2C[C@H]3C=C[C@@H]2C3)c(C)c1[N+](=O)[O-] ZINC000600507751 363360523 /nfs/dbraw/zinc/36/05/23/363360523.db2.gz FZRXVCSSVKZCFM-QJPTWQEYSA-N 0 0 247.298 2.620 20 5 BFBDRN O=[N+]([O-])c1cnc(N[C@@H]2C=CCCC2)s1 ZINC000192486247 491073988 /nfs/dbraw/zinc/07/39/88/491073988.db2.gz GRUJJJYYCQVGCH-SSDOTTSWSA-N 0 0 225.273 2.572 20 5 BFBDRN CC1(C)CC[C@H](Oc2ccc([N+](=O)[O-])cc2)C1=O ZINC000412978892 191348453 /nfs/dbraw/zinc/34/84/53/191348453.db2.gz OSCODIJNEAGNHK-NSHDSACASA-N 0 0 249.266 2.731 20 5 BFBDRN CC(C)(C)CNc1ncc([N+](=O)[O-])cc1F ZINC000413067911 191351737 /nfs/dbraw/zinc/35/17/37/191351737.db2.gz HFEGJKUBFYBPRF-UHFFFAOYSA-N 0 0 227.239 2.587 20 5 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225.244 2.782 20 5 BFBDRN CCC1(CNc2ncccc2[N+](=O)[O-])CCC1 ZINC000084489380 384721616 /nfs/dbraw/zinc/72/16/16/384721616.db2.gz DRROZNNMWBDMJZ-UHFFFAOYSA-N 0 0 235.287 2.982 20 5 BFBDRN Cn1cc(CSc2cccc([N+](=O)[O-])c2)cn1 ZINC000337753607 384735298 /nfs/dbraw/zinc/73/52/98/384735298.db2.gz KMUNQCRNWFUFAQ-UHFFFAOYSA-N 0 0 249.295 2.621 20 5 BFBDRN CO[C@H](C)CSCc1ccc([N+](=O)[O-])cc1 ZINC000181038927 384890215 /nfs/dbraw/zinc/89/02/15/384890215.db2.gz GLRUGDIPHMNBFZ-SECBINFHSA-N 0 0 241.312 2.863 20 5 BFBDRN O=[N+]([O-])c1cnc(N[C@@H]2CC23CCCC3)s1 ZINC000309511637 384849650 /nfs/dbraw/zinc/84/96/50/384849650.db2.gz POQYFWRMIYFOTI-SSDOTTSWSA-N 0 0 239.300 2.796 20 5 BFBDRN O=[N+]([O-])c1cnc(N[C@H]2CC23CCCC3)s1 ZINC000309511638 384850689 /nfs/dbraw/zinc/85/06/89/384850689.db2.gz POQYFWRMIYFOTI-ZETCQYMHSA-N 0 0 239.300 2.796 20 5 BFBDRN O=[N+]([O-])c1cc(F)cc(OCC2CC2)c1 ZINC000087799893 384855492 /nfs/dbraw/zinc/85/54/92/384855492.db2.gz HXGRYZMWKKVOHA-UHFFFAOYSA-N 0 0 211.192 2.523 20 5 BFBDRN CC[C@H](COC)Nc1cc(C)ccc1[N+](=O)[O-] ZINC000084726604 384865710 /nfs/dbraw/zinc/86/57/10/384865710.db2.gz QPCJGQIHRLCHLO-SNVBAGLBSA-N 0 0 238.287 2.740 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N2CC(C)(C)C[C@@H]2C)n1 ZINC000584040462 385010279 /nfs/dbraw/zinc/01/02/79/385010279.db2.gz ZTDUORDBAHITAL-JTQLQIEISA-N 0 0 249.314 2.923 20 5 BFBDRN CCCCCNc1c([N+](=O)[O-])nc(C)n1CC ZINC000310084414 384961842 /nfs/dbraw/zinc/96/18/42/384961842.db2.gz FUSJOQACERPJSD-UHFFFAOYSA-N 0 0 240.307 2.722 20 5 BFBDRN CCC1(CNc2ncc([N+](=O)[O-])cc2C)CC1 ZINC000226808269 385057087 /nfs/dbraw/zinc/05/70/87/385057087.db2.gz NEYOFKIQDXVHCO-UHFFFAOYSA-N 0 0 235.287 2.900 20 5 BFBDRN Cc1ccc(SC[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000085138054 385031897 /nfs/dbraw/zinc/03/18/97/385031897.db2.gz KEGNTIVNLVBRTK-VIFPVBQESA-N 0 0 241.312 2.624 20 5 BFBDRN Cc1ccoc1CNc1ccc([N+](=O)[O-])nc1 ZINC000336682543 385036667 /nfs/dbraw/zinc/03/66/67/385036667.db2.gz FAHKROZZEGRMEP-UHFFFAOYSA-N 0 0 233.227 2.503 20 5 BFBDRN O=[N+]([O-])c1ccccc1N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000309536498 385045185 /nfs/dbraw/zinc/04/51/85/385045185.db2.gz XDMQFBDFBZSRRJ-BZBKMWRSSA-N 0 0 218.256 2.805 20 5 BFBDRN CN(CC1CCC1)c1sccc1[N+](=O)[O-] ZINC000302030625 385107985 /nfs/dbraw/zinc/10/79/85/385107985.db2.gz RWNPHUSWEQNCJJ-UHFFFAOYSA-N 0 0 226.301 2.893 20 5 BFBDRN CC[C@H](C)CNc1ncc(C)cc1[N+](=O)[O-] ZINC000085426902 385177149 /nfs/dbraw/zinc/17/71/49/385177149.db2.gz ABSVAPXFTXVJQV-QMMMGPOBSA-N 0 0 223.276 2.756 20 5 BFBDRN O=[N+]([O-])c1ccc(CSCCF)cc1 ZINC000338216843 385225071 /nfs/dbraw/zinc/22/50/71/385225071.db2.gz CNMHWRZIQMIGBY-UHFFFAOYSA-N 0 0 215.249 2.798 20 5 BFBDRN Cc1cnc(COc2cccc(C)c2[N+](=O)[O-])o1 ZINC000131240826 385321662 /nfs/dbraw/zinc/32/16/62/385321662.db2.gz ZTGYGOMSTMWIMF-UHFFFAOYSA-N 0 0 248.238 2.779 20 5 BFBDRN Cc1cn(C[C@H]2CCC[C@H](C)C2)nc1[N+](=O)[O-] ZINC000407977596 385265345 /nfs/dbraw/zinc/26/53/45/385265345.db2.gz TYRYIBASMPLFIK-ONGXEEELSA-N 0 0 237.303 2.926 20 5 BFBDRN C[C@H](F)CCNc1ccc([N+](=O)[O-])cc1 ZINC000338748879 385276639 /nfs/dbraw/zinc/27/66/39/385276639.db2.gz CLURPWRQIPXKQX-QMMMGPOBSA-N 0 0 212.224 2.755 20 5 BFBDRN C[C@H](F)CCNc1c(F)cccc1[N+](=O)[O-] ZINC000338756809 385279186 /nfs/dbraw/zinc/27/91/86/385279186.db2.gz RRGCWPLYPXFVJG-ZETCQYMHSA-N 0 0 230.214 2.894 20 5 BFBDRN CC/C=C/CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000295016135 385379956 /nfs/dbraw/zinc/37/99/56/385379956.db2.gz PXQYOYSESJGNQR-SNAWJCMRSA-N 0 0 221.260 2.676 20 5 BFBDRN Cc1nc(N[C@H](C)C(C)(C)C)ncc1[N+](=O)[O-] ZINC000563247714 385452007 /nfs/dbraw/zinc/45/20/07/385452007.db2.gz WGDPQCMDTVHVEO-MRVPVSSYSA-N 0 0 238.291 2.540 20 5 BFBDRN Cc1noc(C)c1COc1cccc([N+](=O)[O-])c1 ZINC000024548063 385505804 /nfs/dbraw/zinc/50/58/04/385505804.db2.gz VJOWPHMVCKTDTM-UHFFFAOYSA-N 0 0 248.238 2.779 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CCC(C)(C)C2)n1 ZINC000408171262 385602986 /nfs/dbraw/zinc/60/29/86/385602986.db2.gz ZFRDVIFLAXCJEZ-UHFFFAOYSA-N 0 0 249.314 2.843 20 5 BFBDRN CSCOc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000292670899 385709796 /nfs/dbraw/zinc/70/97/96/385709796.db2.gz OAQHTQGZGUHGGU-UHFFFAOYSA-N 0 0 233.676 2.948 20 5 BFBDRN CCC1(CC)CN(c2ncc(C)cc2[N+](=O)[O-])C1 ZINC000292758959 385722664 /nfs/dbraw/zinc/72/26/64/385722664.db2.gz KFMHYXHZANUHQX-UHFFFAOYSA-N 0 0 249.314 2.925 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](C)[C@@H]2C)n1 ZINC000128571750 385828772 /nfs/dbraw/zinc/82/87/72/385828772.db2.gz RQVBDVVDJDSDOJ-SCZZXKLOSA-N 0 0 235.287 2.533 20 5 BFBDRN C[C@@H](Nc1ccccc1[N+](=O)[O-])c1ccon1 ZINC000341921240 385841063 /nfs/dbraw/zinc/84/10/63/385841063.db2.gz SZXLNEKGXLTVNS-MRVPVSSYSA-N 0 0 233.227 2.756 20 5 BFBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cn1)C1CCC1 ZINC000160057280 386204011 /nfs/dbraw/zinc/20/40/11/386204011.db2.gz HCIXCPXZRWVMBI-MRVPVSSYSA-N 0 0 221.260 2.590 20 5 BFBDRN C[C@@H]1CC[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000345069671 386477398 /nfs/dbraw/zinc/47/73/98/386477398.db2.gz MUPXSGFNZXBYAO-ZJUUUORDSA-N 0 0 248.282 2.970 20 5 BFBDRN Cc1cnc(N2CCCC23CCC3)c([N+](=O)[O-])c1 ZINC000408436586 386589797 /nfs/dbraw/zinc/58/97/97/386589797.db2.gz DWVKWJUSLXPYKB-UHFFFAOYSA-N 0 0 247.298 2.821 20 5 BFBDRN O=[N+]([O-])c1cnccc1N1C[C@@H]2CCCC[C@@H]2C1 ZINC000450751357 386672561 /nfs/dbraw/zinc/67/25/61/386672561.db2.gz DEDMVUNOTJCHQB-PHIMTYICSA-N 0 0 247.298 2.616 20 5 BFBDRN O=[N+]([O-])c1ccc(NCc2ncccc2F)cc1 ZINC000301807721 386679531 /nfs/dbraw/zinc/67/95/31/386679531.db2.gz WEIPTIJXDMWZHA-UHFFFAOYSA-N 0 0 247.229 2.741 20 5 BFBDRN CS[C@H](C)CNc1ccc([N+](=O)[O-])cc1F ZINC000128842403 386699351 /nfs/dbraw/zinc/69/93/51/386699351.db2.gz HBMAWNUOVZEWHH-SSDOTTSWSA-N 0 0 244.291 2.897 20 5 BFBDRN CS[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000294958427 386759469 /nfs/dbraw/zinc/75/94/69/386759469.db2.gz JRMNMVGGGFDTAK-LLVKDONJSA-N 0 0 238.312 2.537 20 5 BFBDRN O=[N+]([O-])c1cccc(F)c1N[C@H]1CCSC1 ZINC000088134536 386841388 /nfs/dbraw/zinc/84/13/88/386841388.db2.gz YXTZFYQGFRZOTK-ZETCQYMHSA-N 0 0 242.275 2.651 20 5 BFBDRN O=[N+]([O-])c1ccc(OCC2CC2)c2cccnc21 ZINC000184986607 386841533 /nfs/dbraw/zinc/84/15/33/386841533.db2.gz BZWMXWDLZUFSRY-UHFFFAOYSA-N 0 0 244.250 2.932 20 5 BFBDRN CCC(=O)CSc1ccc([N+](=O)[O-])cc1F ZINC000185152553 387006538 /nfs/dbraw/zinc/00/65/38/387006538.db2.gz ZSVLDXMZKYTUHL-UHFFFAOYSA-N 0 0 243.259 2.805 20 5 BFBDRN CCN(CC1CC1)c1ccc([N+](=O)[O-])c(C)n1 ZINC000268443863 387019808 /nfs/dbraw/zinc/01/98/08/387019808.db2.gz DLRCBWVMWYPXDH-UHFFFAOYSA-N 0 0 235.287 2.535 20 5 BFBDRN CC/C=C/CNc1cc(N)ccc1[N+](=O)[O-] ZINC000295084203 387140874 /nfs/dbraw/zinc/14/08/74/387140874.db2.gz YEKSIPVKTLMPCW-ONEGZZNKSA-N 0 0 221.260 2.555 20 5 BFBDRN Cc1cnc(N(C)CCC2CC2)c([N+](=O)[O-])c1 ZINC000269499744 387238814 /nfs/dbraw/zinc/23/88/14/387238814.db2.gz PQODPZAFFNGVMZ-UHFFFAOYSA-N 0 0 235.287 2.535 20 5 BFBDRN O=[N+]([O-])c1ccc2c(ccnc2N2CCCC2)c1 ZINC000295566507 387299205 /nfs/dbraw/zinc/29/92/05/387299205.db2.gz VUYNFHQQQPEWRG-UHFFFAOYSA-N 0 0 243.266 2.743 20 5 BFBDRN CC[C@@H](F)COc1c(F)cccc1[N+](=O)[O-] ZINC000440582982 387345545 /nfs/dbraw/zinc/34/55/45/387345545.db2.gz QOVAWPJGUYFCCZ-SSDOTTSWSA-N 0 0 231.198 2.861 20 5 BFBDRN CC/C=C/CNc1ccc(N)cc1[N+](=O)[O-] ZINC000294913870 387441632 /nfs/dbraw/zinc/44/16/32/387441632.db2.gz FYABVRHUTIWMSB-ONEGZZNKSA-N 0 0 221.260 2.555 20 5 BFBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC1(C)C ZINC000130077291 387518801 /nfs/dbraw/zinc/51/88/01/387518801.db2.gz IGASCHBLNPMHHS-JTQLQIEISA-N 0 0 248.282 2.888 20 5 BFBDRN CC[C@H](F)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000440703432 387525567 /nfs/dbraw/zinc/52/55/67/387525567.db2.gz HUKCLHGRPZFQGP-NSHDSACASA-N 0 0 240.278 2.775 20 5 BFBDRN CC[C@H]1[C@H](C)CCN1c1ncc([N+](=O)[O-])s1 ZINC000192536765 387615022 /nfs/dbraw/zinc/61/50/22/387615022.db2.gz WQQCJSFNUNFZNT-SFYZADRCSA-N 0 0 241.316 2.676 20 5 BFBDRN O=[N+]([O-])c1ccc(/C=C\c2cncs2)nc1 ZINC000362849691 387664677 /nfs/dbraw/zinc/66/46/77/387664677.db2.gz HKDBDECKXUMTQL-RQOWECAXSA-N 0 0 233.252 2.617 20 5 BFBDRN CO[C@H](C)CCNc1c(F)cccc1[N+](=O)[O-] ZINC000288011665 387726927 /nfs/dbraw/zinc/72/69/27/387726927.db2.gz SJXNNRZYEMCYIW-MRVPVSSYSA-N 0 0 242.250 2.571 20 5 BFBDRN Cc1cccnc1NCc1cccc([N+](=O)[O-])c1 ZINC000049942930 387789210 /nfs/dbraw/zinc/78/92/10/387789210.db2.gz NYBBZVKUXZIRRK-UHFFFAOYSA-N 0 0 243.266 2.910 20 5 BFBDRN Cc1ccc(NCc2cccc([N+](=O)[O-])c2)nc1 ZINC000049942912 387789643 /nfs/dbraw/zinc/78/96/43/387789643.db2.gz XOYDDFYFTMFEFF-UHFFFAOYSA-N 0 0 243.266 2.910 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CC2(C)C)n1 ZINC000359086605 177877144 /nfs/dbraw/zinc/87/71/44/177877144.db2.gz VXPBXAROTZPSQA-VIFPVBQESA-N 0 0 235.287 2.817 20 5 BFBDRN CC[C@H]1C[C@H]1Nc1ncc(C)cc1[N+](=O)[O-] ZINC000231140996 388012258 /nfs/dbraw/zinc/01/22/58/388012258.db2.gz MBWLQQWZFWSBGC-DTWKUNHWSA-N 0 0 221.260 2.509 20 5 BFBDRN CCCCNc1ccc(F)c([N+](=O)[O-])c1 ZINC000037060830 388095648 /nfs/dbraw/zinc/09/56/48/388095648.db2.gz AVKHUUMHXLQPOI-UHFFFAOYSA-N 0 0 212.224 2.946 20 5 BFBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[C@H]1C ZINC000589808201 388117268 /nfs/dbraw/zinc/11/72/68/388117268.db2.gz JRAOGLOCGGWZCP-KCJUWKMLSA-N 0 0 248.282 2.752 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@H]2CC23CC3)s1 ZINC000591827530 388140934 /nfs/dbraw/zinc/14/09/34/388140934.db2.gz RTMYGZMYJKAGGR-LURJTMIESA-N 0 0 210.258 2.621 20 5 BFBDRN Cc1cc(NC(=O)/C=C\C2CC2)ccc1[N+](=O)[O-] ZINC000492325286 388354074 /nfs/dbraw/zinc/35/40/74/388354074.db2.gz AOZGJVDXWFDURR-DAXSKMNVSA-N 0 0 246.266 2.808 20 5 BFBDRN Cc1cnc(N2CCCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000548447184 388360382 /nfs/dbraw/zinc/36/03/82/388360382.db2.gz FNIASFHMAIKVFY-SNVBAGLBSA-N 0 0 249.314 2.925 20 5 BFBDRN CCN(CCC1CC1)c1ncccc1[N+](=O)[O-] ZINC000354568812 388380822 /nfs/dbraw/zinc/38/08/22/388380822.db2.gz AMZILCDHZITLDQ-UHFFFAOYSA-N 0 0 235.287 2.616 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(OC2CCCC2)n1 ZINC000354541583 388380949 /nfs/dbraw/zinc/38/09/49/388380949.db2.gz JNZGKDGMBVBDFJ-UHFFFAOYSA-N 0 0 236.271 2.928 20 5 BFBDRN Cc1ccnc(N[C@@H]2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000133217799 388381078 /nfs/dbraw/zinc/38/10/78/388381078.db2.gz MMSVGXOQWADICF-PSASIEDQSA-N 0 0 235.287 2.899 20 5 BFBDRN O=[N+]([O-])c1ccc2[nH]c(NC3CCCC3)nc2c1 ZINC000094771630 388382767 /nfs/dbraw/zinc/38/27/67/388382767.db2.gz SJCHYVMLEIREEB-UHFFFAOYSA-N 0 0 246.270 2.826 20 5 BFBDRN Cc1ccc(NC(=O)C[C@@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000354987804 388383915 /nfs/dbraw/zinc/38/39/15/388383915.db2.gz ITNSBUOPAPXZQN-UWVGGRQHSA-N 0 0 248.282 2.888 20 5 BFBDRN C[C@@H](C1CCC1)N(C)c1ncccc1[N+](=O)[O-] ZINC000356771211 388390488 /nfs/dbraw/zinc/39/04/88/388390488.db2.gz CTFJXCLHJLEWNC-VIFPVBQESA-N 0 0 235.287 2.615 20 5 BFBDRN Cc1nc(N(C)[C@@H](C)C2CCC2)ccc1[N+](=O)[O-] ZINC000356796721 388390577 /nfs/dbraw/zinc/39/05/77/388390577.db2.gz RWNLXTMJXPDSOJ-JTQLQIEISA-N 0 0 249.314 2.923 20 5 BFBDRN Cc1cnc(N[C@H]2CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000090692348 388471799 /nfs/dbraw/zinc/47/17/99/388471799.db2.gz PDHRSQPSXOECEI-ZJUUUORDSA-N 0 0 235.287 2.899 20 5 BFBDRN Cc1cc(N[C@H](C)C[C@@H](C)O)c([N+](=O)[O-])s1 ZINC000596190752 388407732 /nfs/dbraw/zinc/40/77/32/388407732.db2.gz YDGJQXUKFJOIDW-RNFRBKRXSA-N 0 0 244.316 2.536 20 5 BFBDRN CC(C)CC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000172422148 388409641 /nfs/dbraw/zinc/40/96/41/388409641.db2.gz YQPXCTJOOZCCNC-UHFFFAOYSA-N 0 0 248.282 2.530 20 5 BFBDRN O=[N+]([O-])c1ccccc1Oc1ccc(F)nc1 ZINC000161240962 388427797 /nfs/dbraw/zinc/42/77/97/388427797.db2.gz CBELIWFBDQSHKZ-UHFFFAOYSA-N 0 0 234.186 2.921 20 5 BFBDRN COC[C@H](C)SCc1cccc([N+](=O)[O-])c1 ZINC000173736527 388428505 /nfs/dbraw/zinc/42/85/05/388428505.db2.gz SMZMYOYNNKFNKS-VIFPVBQESA-N 0 0 241.312 2.863 20 5 BFBDRN COC[C@@H](C)SCc1ccc([N+](=O)[O-])cc1 ZINC000173877699 388431700 /nfs/dbraw/zinc/43/17/00/388431700.db2.gz HBPMFSLYXMIAHP-SECBINFHSA-N 0 0 241.312 2.863 20 5 BFBDRN CSCCOc1ccc(C)c([N+](=O)[O-])c1 ZINC000091007576 388590236 /nfs/dbraw/zinc/59/02/36/388590236.db2.gz NMPABEGHVMJSAG-UHFFFAOYSA-N 0 0 227.285 2.645 20 5 BFBDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000130524519 388617335 /nfs/dbraw/zinc/61/73/35/388617335.db2.gz PEMFTAMGNOROKW-VIFPVBQESA-N 0 0 248.282 2.513 20 5 BFBDRN CSCCN(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000301593326 388596667 /nfs/dbraw/zinc/59/66/67/388596667.db2.gz ZRXQBDXLQZRCIT-UHFFFAOYSA-N 0 0 244.291 2.533 20 5 BFBDRN O=[N+]([O-])c1cccnc1N[C@@H]1C=CCCC1 ZINC000301609421 388599019 /nfs/dbraw/zinc/59/90/19/388599019.db2.gz BDRYJBUAMYTRSS-SECBINFHSA-N 0 0 219.244 2.510 20 5 BFBDRN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000130524764 388617688 /nfs/dbraw/zinc/61/76/88/388617688.db2.gz PEMFTAMGNOROKW-SECBINFHSA-N 0 0 248.282 2.513 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CC1CC1 ZINC000298361876 388579561 /nfs/dbraw/zinc/57/95/61/388579561.db2.gz SFBUTTAZYRKDIH-UHFFFAOYSA-N 0 0 248.282 2.950 20 5 BFBDRN CC[C@H](COc1cccc([N+](=O)[O-])c1C)OC ZINC000416927042 388672701 /nfs/dbraw/zinc/67/27/01/388672701.db2.gz ZUHKUDRVKAGLPQ-SNVBAGLBSA-N 0 0 239.271 2.707 20 5 BFBDRN CC[C@@H]1CCN1c1cc(C)ccc1[N+](=O)[O-] ZINC000489058910 388674423 /nfs/dbraw/zinc/67/44/23/388674423.db2.gz QZSUJJFVLYSGQM-SNVBAGLBSA-N 0 0 220.272 2.892 20 5 BFBDRN CC[C@@H](C)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000078149222 388679392 /nfs/dbraw/zinc/67/93/92/388679392.db2.gz PBHNPAANFLHYOO-SECBINFHSA-N 0 0 248.282 2.530 20 5 BFBDRN CC(C)CN(C)c1ccsc1[N+](=O)[O-] ZINC000065945663 388679643 /nfs/dbraw/zinc/67/96/43/388679643.db2.gz HVFTXPFZTGDTOQ-UHFFFAOYSA-N 0 0 214.290 2.749 20 5 BFBDRN CCc1cnc(COc2cccc([N+](=O)[O-])c2)o1 ZINC000525190177 388680826 /nfs/dbraw/zinc/68/08/26/388680826.db2.gz VNPJHCXGYCOZTL-UHFFFAOYSA-N 0 0 248.238 2.724 20 5 BFBDRN C[C@@H](O)[C@@H](C)Sc1ccc(F)cc1[N+](=O)[O-] ZINC000078582158 388682991 /nfs/dbraw/zinc/68/29/91/388682991.db2.gz SVWGRSUZFXELDT-RNFRBKRXSA-N 0 0 245.275 2.595 20 5 BFBDRN COC[C@@H](C)CNc1cc(C)ccc1[N+](=O)[O-] ZINC000094659602 388639843 /nfs/dbraw/zinc/63/98/43/388639843.db2.gz OMNSTMHMIFZQCZ-JTQLQIEISA-N 0 0 238.287 2.598 20 5 BFBDRN CC[C@@H](C)N(C)c1ncc([N+](=O)[O-])cc1Cl ZINC000301635616 388642228 /nfs/dbraw/zinc/64/22/28/388642228.db2.gz WHYMGZQWZANOKI-SSDOTTSWSA-N 0 0 243.694 2.878 20 5 BFBDRN Cc1nc(N(C)CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000301644900 388651941 /nfs/dbraw/zinc/65/19/41/388651941.db2.gz NMAFIZSTEQNWLH-UHFFFAOYSA-N 0 0 237.303 2.781 20 5 BFBDRN CC[C@@H](C)N(C)c1ccc([N+](=O)[O-])c(C)n1 ZINC000301668342 388659768 /nfs/dbraw/zinc/65/97/68/388659768.db2.gz PJYHQJHAOQENAU-MRVPVSSYSA-N 0 0 223.276 2.533 20 5 BFBDRN Cc1cnc(NC2CC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000277186394 388745529 /nfs/dbraw/zinc/74/55/29/388745529.db2.gz OFOSTQXVJMYIEW-UHFFFAOYSA-N 0 0 243.213 2.508 20 5 BFBDRN O=[N+]([O-])c1ncccc1OCCC1CCCC1 ZINC000124368600 388746388 /nfs/dbraw/zinc/74/63/88/388746388.db2.gz OXJQYPRUPJNWDJ-UHFFFAOYSA-N 0 0 236.271 2.949 20 5 BFBDRN O=[N+]([O-])c1cc(CN2CC[C@H]2C2CC2)cs1 ZINC000449427315 388750009 /nfs/dbraw/zinc/75/00/09/388750009.db2.gz RRPIXGRTYWJGEL-JTQLQIEISA-N 0 0 238.312 2.641 20 5 BFBDRN CN(CC1CCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000301254611 388754321 /nfs/dbraw/zinc/75/43/21/388754321.db2.gz NMWSSLJOSCEHML-UHFFFAOYSA-N 0 0 238.262 2.970 20 5 BFBDRN Cc1c(OC(=O)CCC2CC2)cccc1[N+](=O)[O-] ZINC000115036149 388688277 /nfs/dbraw/zinc/68/82/77/388688277.db2.gz XIYVFGARSKOKML-UHFFFAOYSA-N 0 0 249.266 2.999 20 5 BFBDRN CC[C@@H](C)C[C@H](C)Nc1c([N+](=O)[O-])ncn1C ZINC000115118943 388692537 /nfs/dbraw/zinc/69/25/37/388692537.db2.gz FSRNITITSKPINT-BDAKNGLRSA-N 0 0 240.307 2.565 20 5 BFBDRN CSC[C@H](C)Nc1ccc([N+](=O)[O-])cc1F ZINC000124734069 388755830 /nfs/dbraw/zinc/75/58/30/388755830.db2.gz WNDSGYHTKOQJEV-ZETCQYMHSA-N 0 0 244.291 2.897 20 5 BFBDRN O=[N+]([O-])c1cnc(N2CCCC23CCC3)s1 ZINC000373857664 388711930 /nfs/dbraw/zinc/71/19/30/388711930.db2.gz YNQZQOXEDWTOQH-UHFFFAOYSA-N 0 0 239.300 2.574 20 5 BFBDRN C[C@@H]1C[C@H](C)N1c1ccccc1[N+](=O)[O-] ZINC000530484695 388714386 /nfs/dbraw/zinc/71/43/86/388714386.db2.gz PHQFIYLYGHSMMH-DTORHVGOSA-N 0 0 206.245 2.582 20 5 BFBDRN CCCCNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000082523343 388728754 /nfs/dbraw/zinc/72/87/54/388728754.db2.gz YRJZOYDUXUWIRV-UHFFFAOYSA-N 0 0 224.260 2.815 20 5 BFBDRN CC[C@@H](C)Nc1ccc([N+](=O)[O-])c(OC)c1 ZINC000082523331 388728979 /nfs/dbraw/zinc/72/89/79/388728979.db2.gz YZKLCWIFZYEDQH-MRVPVSSYSA-N 0 0 224.260 2.814 20 5 BFBDRN Cc1ccnc(N[C@H]2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000070496401 388729541 /nfs/dbraw/zinc/72/95/41/388729541.db2.gz CLPCAFHJJXYJPB-SCZZXKLOSA-N 0 0 235.287 2.899 20 5 BFBDRN O=[N+]([O-])c1ccc(COc2ccncc2)c(F)c1 ZINC000431514804 388730699 /nfs/dbraw/zinc/73/06/99/388730699.db2.gz UMLPJVYONCHUBT-UHFFFAOYSA-N 0 0 248.213 2.708 20 5 BFBDRN CCCCN(C)c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000302468884 388843677 /nfs/dbraw/zinc/84/36/77/388843677.db2.gz SYUHUANMLJRMMJ-UHFFFAOYSA-N 0 0 249.314 2.799 20 5 BFBDRN Cc1ccc(NCCc2ccc[nH]2)c([N+](=O)[O-])c1 ZINC000302022001 388835912 /nfs/dbraw/zinc/83/59/12/388835912.db2.gz FENDWUAZQHLGOK-UHFFFAOYSA-N 0 0 245.282 2.886 20 5 BFBDRN CC(C)=CCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153135359 388942477 /nfs/dbraw/zinc/94/24/77/388942477.db2.gz KKQYYESWXPZUHD-UHFFFAOYSA-N 0 0 246.310 2.919 20 5 BFBDRN Cc1cc([N+](=O)[O-])cnc1N1C[C@@H](C)C[C@H](C)C1 ZINC000263991518 132178399 /nfs/dbraw/zinc/17/83/99/132178399.db2.gz VNVVVBHWHAQNSK-UWVGGRQHSA-N 0 0 249.314 2.781 20 5 BFBDRN Cc1ccnc(N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000265174053 132181558 /nfs/dbraw/zinc/18/15/58/132181558.db2.gz HPQTZBCLKYMINC-UHFFFAOYSA-N 0 0 235.287 2.535 20 5 BFBDRN C[C@@H]1CCCN(c2ncccc2[N+](=O)[O-])[C@@H]1C ZINC000266252155 132185458 /nfs/dbraw/zinc/18/54/58/132185458.db2.gz NIISFWYRVOXJEX-NXEZZACHSA-N 0 0 235.287 2.615 20 5 BFBDRN C[C@H]1CCCN(c2ncccc2[N+](=O)[O-])[C@H]1C ZINC000266252158 132185499 /nfs/dbraw/zinc/18/54/99/132185499.db2.gz NIISFWYRVOXJEX-UWVGGRQHSA-N 0 0 235.287 2.615 20 5 BFBDRN Cc1cc(N2CCC[C@@H](C)[C@H]2C)ncc1[N+](=O)[O-] ZINC000266852027 132187737 /nfs/dbraw/zinc/18/77/37/132187737.db2.gz RRXBYQLMLALMOD-MWLCHTKSSA-N 0 0 249.314 2.923 20 5 BFBDRN Cc1nc(N2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000268439370 132192334 /nfs/dbraw/zinc/19/23/34/132192334.db2.gz CTQMHGXFWVPYBK-SECBINFHSA-N 0 0 235.287 2.677 20 5 BFBDRN Cc1nc(N2C[C@@H](C)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000268498440 132192419 /nfs/dbraw/zinc/19/24/19/132192419.db2.gz PRRHFDRPNMATGW-VHSXEESVSA-N 0 0 249.314 2.923 20 5 BFBDRN Cc1cc([N+](=O)[O-])cnc1N1CC[C@H](C)[C@@H](C)C1 ZINC000270954639 132198507 /nfs/dbraw/zinc/19/85/07/132198507.db2.gz MRSIABWWGZJILJ-ONGXEEELSA-N 0 0 249.314 2.781 20 5 BFBDRN O=[N+]([O-])c1ccc2c(c1N1CCCCC1)CCN2 ZINC000278518954 132207642 /nfs/dbraw/zinc/20/76/42/132207642.db2.gz YSADQPPEYRIYTF-UHFFFAOYSA-N 0 0 247.298 2.553 20 5 BFBDRN CC1=CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000280712366 132210822 /nfs/dbraw/zinc/21/08/22/132210822.db2.gz HXMQFIUFSOHLGC-UHFFFAOYSA-N 0 0 218.256 2.751 20 5 BFBDRN CC1=C(C)CN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000282280989 132212172 /nfs/dbraw/zinc/21/21/72/132212172.db2.gz PPYMRIVAXKEILK-UHFFFAOYSA-N 0 0 247.298 2.724 20 5 BFBDRN C[C@]1(F)CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000294961167 132219996 /nfs/dbraw/zinc/21/99/96/132219996.db2.gz NKEWAUHIRJJIKW-LBPRGKRZSA-N 0 0 238.262 2.923 20 5 BFBDRN CC[C@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000298461196 132222518 /nfs/dbraw/zinc/22/25/18/132222518.db2.gz MEFSZOFIRASOSN-JTQLQIEISA-N 0 0 235.287 2.616 20 5 BFBDRN C[C@H]1CC[C@H](C)N(c2ncccc2[N+](=O)[O-])C1 ZINC000301418495 132253591 /nfs/dbraw/zinc/25/35/91/132253591.db2.gz CYSLNOZHDLZKAO-UWVGGRQHSA-N 0 0 235.287 2.615 20 5 BFBDRN C[C@@H]1C[C@H](C)[C@@H](C)N(c2ccc([N+](=O)[O-])cn2)C1 ZINC000302682292 132265451 /nfs/dbraw/zinc/26/54/51/132265451.db2.gz POBTWOFAHAOLQW-OUAUKWLOSA-N 0 0 249.314 2.861 20 5 BFBDRN Cc1cnc(N2CC3(C2)CCCC3)c([N+](=O)[O-])c1 ZINC000408362571 133476713 /nfs/dbraw/zinc/47/67/13/133476713.db2.gz PHOFERABERDCQR-UHFFFAOYSA-N 0 0 247.298 2.679 20 5 BFBDRN CC1(C)CC[C@@H](Nc2ccncc2[N+](=O)[O-])C1 ZINC000162656068 133521887 /nfs/dbraw/zinc/52/18/87/133521887.db2.gz RYTYNZUNBSPCPW-SECBINFHSA-N 0 0 235.287 2.980 20 5 BFBDRN Cc1nn(CC2=CCCCC2)c(C)c1[N+](=O)[O-] ZINC000336190880 134123218 /nfs/dbraw/zinc/12/32/18/134123218.db2.gz VQIFOWDMVZLKOE-UHFFFAOYSA-N 0 0 235.287 2.909 20 5 BFBDRN Cc1cnc(CNc2ccccc2[N+](=O)[O-])o1 ZINC000220443953 134305435 /nfs/dbraw/zinc/30/54/35/134305435.db2.gz VQHQKBXZRBTMJY-UHFFFAOYSA-N 0 0 233.227 2.503 20 5 BFBDRN CCOc1cc(N(C)C2CC2)ccc1[N+](=O)[O-] ZINC000180975451 134332369 /nfs/dbraw/zinc/33/23/69/134332369.db2.gz OCAJFQKSLPEXJV-UHFFFAOYSA-N 0 0 236.271 2.592 20 5 BFBDRN Cc1cccc(OCc2ccccc2[N+](=O)[O-])n1 ZINC000181796977 134339561 /nfs/dbraw/zinc/33/95/61/134339561.db2.gz WQQDQZSMOUCIAS-UHFFFAOYSA-N 0 0 244.250 2.877 20 5 BFBDRN Cc1cncc(NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000227602971 134388058 /nfs/dbraw/zinc/38/80/58/134388058.db2.gz FQXOTHJXKGKLTK-UHFFFAOYSA-N 0 0 243.266 2.910 20 5 BFBDRN C[C@@H]1C[C@@H]1CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000227888244 134397695 /nfs/dbraw/zinc/39/76/95/134397695.db2.gz ULNVRRXDZBMCAR-RNFRBKRXSA-N 0 0 242.225 2.941 20 5 BFBDRN CSCCCCNc1ncc([N+](=O)[O-])s1 ZINC000189690297 134551334 /nfs/dbraw/zinc/55/13/34/134551334.db2.gz SHIFJUBOHUAWER-UHFFFAOYSA-N 0 0 247.345 2.606 20 5 BFBDRN CC(C)[C@@H](C)CNc1ccncc1[N+](=O)[O-] ZINC000077897393 135085050 /nfs/dbraw/zinc/08/50/50/135085050.db2.gz LKBHHWQBJLEPQU-VIFPVBQESA-N 0 0 223.276 2.694 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@H]2C)c1 ZINC000087150725 135107949 /nfs/dbraw/zinc/10/79/49/135107949.db2.gz KXXKSFJWKRHADT-RKDXNWHRSA-N 0 0 206.245 2.724 20 5 BFBDRN CC[C@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000342556661 135287762 /nfs/dbraw/zinc/28/77/62/135287762.db2.gz CGUPPVUCMZYOGS-VIFPVBQESA-N 0 0 238.262 2.970 20 5 BFBDRN C[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000342787921 135318614 /nfs/dbraw/zinc/31/86/14/135318614.db2.gz NJRQWUJFUBAFMQ-RKDXNWHRSA-N 0 0 238.262 2.826 20 5 BFBDRN C[C@H]1CC[C@@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000334224025 135328799 /nfs/dbraw/zinc/32/87/99/135328799.db2.gz ALWAQUNBQBDBLM-KWQFWETISA-N 0 0 249.270 2.515 20 5 BFBDRN O=[N+]([O-])c1cccc(F)c1Sc1ncco1 ZINC000334326294 135354028 /nfs/dbraw/zinc/35/40/28/135354028.db2.gz LDVAOERUKRERHC-UHFFFAOYSA-N 0 0 240.215 2.873 20 5 BFBDRN C[C@]1(F)CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000334347494 135366431 /nfs/dbraw/zinc/36/64/31/135366431.db2.gz XLNBGOJXVSCOJE-JTQLQIEISA-N 0 0 244.291 2.590 20 5 BFBDRN CC(C)[C@H](C)CNc1ncccc1[N+](=O)[O-] ZINC000081070019 135385588 /nfs/dbraw/zinc/38/55/88/135385588.db2.gz WCNZLMAJPBPJCE-SECBINFHSA-N 0 0 223.276 2.694 20 5 BFBDRN Cc1ccc(CNc2ccc([N+](=O)[O-])cn2)s1 ZINC000048337212 135461619 /nfs/dbraw/zinc/46/16/19/135461619.db2.gz QISUSCHDJLOARY-UHFFFAOYSA-N 0 0 249.295 2.972 20 5 BFBDRN CC(=O)c1cc([N+](=O)[O-])ccc1OCCC1CC1 ZINC000165101380 135468316 /nfs/dbraw/zinc/46/83/16/135468316.db2.gz PIYAAAJAFUHOPJ-UHFFFAOYSA-N 0 0 249.266 2.976 20 5 BFBDRN C[C@H](CCC1CC1)Nc1ccc([N+](=O)[O-])nc1 ZINC000346254338 135474480 /nfs/dbraw/zinc/47/44/80/135474480.db2.gz OVQMVTNKMIJLNH-SECBINFHSA-N 0 0 235.287 2.980 20 5 BFBDRN C[C@H]1CC[C@H]1Nc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000343835091 135708237 /nfs/dbraw/zinc/70/82/37/135708237.db2.gz FHINCALQKWKBCF-WCBMZHEXSA-N 0 0 247.298 2.773 20 5 BFBDRN C[C@H](CNc1ncccc1[N+](=O)[O-])C(F)(F)F ZINC000355738234 397967114 /nfs/dbraw/zinc/96/71/14/397967114.db2.gz IKUCHGPJIKNIQR-ZCFIWIBFSA-N 0 0 249.192 2.600 20 5 BFBDRN CC[C@@H](C)[C@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000042417180 398014966 /nfs/dbraw/zinc/01/49/66/398014966.db2.gz VQTUZOXDSMYIHU-BDAKNGLRSA-N 0 0 223.276 2.836 20 5 BFBDRN CCOCCCn1ccc2c1cccc2[N+](=O)[O-] ZINC000135120253 398109478 /nfs/dbraw/zinc/10/94/78/398109478.db2.gz HTJPXNREWHYICA-UHFFFAOYSA-N 0 0 248.282 2.976 20 5 BFBDRN CC(C)CCCNc1ccncc1[N+](=O)[O-] ZINC000038094054 166819745 /nfs/dbraw/zinc/81/97/45/166819745.db2.gz TYGHCAJEKUHFGY-UHFFFAOYSA-N 0 0 223.276 2.838 20 5 BFBDRN CC(C)CNc1c(F)cccc1[N+](=O)[O-] ZINC000083346857 167014932 /nfs/dbraw/zinc/01/49/32/167014932.db2.gz NNYDLOCRQZJXLS-UHFFFAOYSA-N 0 0 212.224 2.802 20 5 BFBDRN CC(C)[C@@H](C)Sc1ncc([N+](=O)[O-])cn1 ZINC000273600438 167389000 /nfs/dbraw/zinc/38/90/00/167389000.db2.gz JIVWLCZVXAMKGM-SSDOTTSWSA-N 0 0 227.289 2.521 20 5 BFBDRN CC(C)[C@H]1C[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000184802366 167506818 /nfs/dbraw/zinc/50/68/18/167506818.db2.gz LTPGCFVPBZSXEE-VXGBXAGGSA-N 0 0 248.282 2.825 20 5 BFBDRN Cc1cnc(N2[C@H](C)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000301612540 411132809 /nfs/dbraw/zinc/13/28/09/411132809.db2.gz GCHFQKVRSUHDEL-NXEZZACHSA-N 0 0 235.287 2.675 20 5 BFBDRN CC(F)(F)CCNc1ncc([N+](=O)[O-])s1 ZINC000294088884 167817482 /nfs/dbraw/zinc/81/74/82/167817482.db2.gz AYFKNPIDHLHJER-UHFFFAOYSA-N 0 0 237.231 2.509 20 5 BFBDRN CC1(CCNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000280035150 168020170 /nfs/dbraw/zinc/02/01/70/168020170.db2.gz NNZRKBPWYSYQRU-UHFFFAOYSA-N 0 0 248.282 2.515 20 5 BFBDRN CC1(CCNc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000282331704 168022712 /nfs/dbraw/zinc/02/27/12/168022712.db2.gz VBJLHLFKGUODEH-UHFFFAOYSA-N 0 0 235.287 2.779 20 5 BFBDRN CC1(NC(=O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000049123657 168061719 /nfs/dbraw/zinc/06/17/19/168061719.db2.gz LBZHNMQXYIBYOZ-UHFFFAOYSA-N 0 0 248.282 2.657 20 5 BFBDRN CCC(C)(C)CNc1ncc([N+](=O)[O-])s1 ZINC000189997204 168281350 /nfs/dbraw/zinc/28/13/50/168281350.db2.gz HPDBZHAKXBOWDL-UHFFFAOYSA-N 0 0 229.305 2.899 20 5 BFBDRN CCC(C)(C)Nc1ncc([N+](=O)[O-])s1 ZINC000189689933 168302768 /nfs/dbraw/zinc/30/27/68/168302768.db2.gz SKURUPHYCSIICT-UHFFFAOYSA-N 0 0 215.278 2.652 20 5 BFBDRN CCNc1c2ccc(OC)cc2ncc1[N+](=O)[O-] ZINC000295598052 170171269 /nfs/dbraw/zinc/17/12/69/170171269.db2.gz XWXNCFUVGGZKSJ-UHFFFAOYSA-N 0 0 247.254 2.583 20 5 BFBDRN CCNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000302065205 170173992 /nfs/dbraw/zinc/17/39/92/170173992.db2.gz VSJUTRWPVOXZRN-UHFFFAOYSA-N 0 0 232.186 2.628 20 5 BFBDRN CCOCCCOc1cccc([N+](=O)[O-])c1C ZINC000126521690 170385136 /nfs/dbraw/zinc/38/51/36/170385136.db2.gz XCYRWSXRJSQBBN-UHFFFAOYSA-N 0 0 239.271 2.709 20 5 BFBDRN CC[C@@H]1CCN1C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000297947806 171020493 /nfs/dbraw/zinc/02/04/93/171020493.db2.gz URCJOQXAUIIGHH-SNVBAGLBSA-N 0 0 248.282 2.528 20 5 BFBDRN CC[C@@H]1C[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000227012941 171124754 /nfs/dbraw/zinc/12/47/54/171124754.db2.gz QUJSDXFJWJSXCG-SCZZXKLOSA-N 0 0 206.245 2.805 20 5 BFBDRN CC[C@@H]1C[C@H]1Nc1ncc(C)cc1[N+](=O)[O-] ZINC000231140967 171142122 /nfs/dbraw/zinc/14/21/22/171142122.db2.gz MBWLQQWZFWSBGC-RKDXNWHRSA-N 0 0 221.260 2.509 20 5 BFBDRN CC[C@@H]1C[C@H]1Nc1c(F)cccc1[N+](=O)[O-] ZINC000304534528 171142765 /nfs/dbraw/zinc/14/27/65/171142765.db2.gz MKACCFOLVJNMPO-VXNVDRBHSA-N 0 0 224.235 2.944 20 5 BFBDRN CC[C@@H]1C[C@H]1Nc1nc(C)ccc1[N+](=O)[O-] ZINC000222991745 171142779 /nfs/dbraw/zinc/14/27/79/171142779.db2.gz NIFHFISZWIHEAW-RKDXNWHRSA-N 0 0 221.260 2.509 20 5 BFBDRN CC[C@@H]1[C@@H](C)CCN1c1ncccc1[N+](=O)[O-] ZINC000274781860 171158021 /nfs/dbraw/zinc/15/80/21/171158021.db2.gz WOJIKYACDLKECE-VHSXEESVSA-N 0 0 235.287 2.615 20 5 BFBDRN CC[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000191852503 171263048 /nfs/dbraw/zinc/26/30/48/171263048.db2.gz XUJJGBMQJZIDDV-VIFPVBQESA-N 0 0 236.271 2.970 20 5 BFBDRN CC[C@H](C)CSc1ncc([N+](=O)[O-])cn1 ZINC000273713333 171293676 /nfs/dbraw/zinc/29/36/76/171293676.db2.gz FPALOSKCDRESFQ-ZETCQYMHSA-N 0 0 227.289 2.523 20 5 BFBDRN CC[C@H](C)CSc1c([N+](=O)[O-])c(C)nn1C ZINC000268139398 171293736 /nfs/dbraw/zinc/29/37/36/171293736.db2.gz UXHOKTDDBGUOMB-ZETCQYMHSA-N 0 0 243.332 2.775 20 5 BFBDRN CC[C@H](C)C[C@H](C)Nc1ncc([N+](=O)[O-])cn1 ZINC000088299063 171297923 /nfs/dbraw/zinc/29/79/23/171297923.db2.gz MHMVHZDKEKIYEH-IUCAKERBSA-N 0 0 238.291 2.621 20 5 BFBDRN CC[C@H](C)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000227647457 171350694 /nfs/dbraw/zinc/35/06/94/171350694.db2.gz QXZFCUDHNSPQJG-LURJTMIESA-N 0 0 229.667 2.854 20 5 BFBDRN CC[C@H](C)[C@@H](C)Nc1ccncc1[N+](=O)[O-] ZINC000042557414 171367916 /nfs/dbraw/zinc/36/79/16/171367916.db2.gz LFQCOFZGKZTTQY-DTWKUNHWSA-N 0 0 223.276 2.836 20 5 BFBDRN CC[C@H](C)[C@H](C)Nc1ccncc1[N+](=O)[O-] ZINC000042557419 171391095 /nfs/dbraw/zinc/39/10/95/171391095.db2.gz LFQCOFZGKZTTQY-IUCAKERBSA-N 0 0 223.276 2.836 20 5 BFBDRN CC[C@H]1C[C@@H]1Nc1c(F)cccc1[N+](=O)[O-] ZINC000304534523 171677052 /nfs/dbraw/zinc/67/70/52/171677052.db2.gz MKACCFOLVJNMPO-CBAPKCEASA-N 0 0 224.235 2.944 20 5 BFBDRN CC[C@H]1C[C@@H]1Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000227285672 171677805 /nfs/dbraw/zinc/67/78/05/171677805.db2.gz OGBBSJDHDPKWOT-XPUUQOCRSA-N 0 0 241.678 2.854 20 5 BFBDRN CCc1ccc(Nc2ncc([N+](=O)[O-])cn2)cc1 ZINC000302129314 171823081 /nfs/dbraw/zinc/82/30/81/171823081.db2.gz GGUOTEIXCNZSJV-UHFFFAOYSA-N 0 0 244.254 2.691 20 5 BFBDRN CCc1ccccc1CCn1cc([N+](=O)[O-])cn1 ZINC000277463487 171876926 /nfs/dbraw/zinc/87/69/26/171876926.db2.gz AABRZORLQLSHNF-UHFFFAOYSA-N 0 0 245.282 2.596 20 5 BFBDRN CCc1noc(-c2ccc([N+](=O)[O-])cc2C)n1 ZINC000264583863 172072862 /nfs/dbraw/zinc/07/28/62/172072862.db2.gz DAKYHQBRADKQIV-UHFFFAOYSA-N 0 0 233.227 2.516 20 5 BFBDRN CN(C(=O)c1ccc([N+](=O)[O-])s1)C(C)(C)C ZINC000335410180 172341025 /nfs/dbraw/zinc/34/10/25/172341025.db2.gz RKBZRUUSAWRWCC-UHFFFAOYSA-N 0 0 242.300 2.527 20 5 BFBDRN CN(Cc1ccccn1)c1sccc1[N+](=O)[O-] ZINC000301928621 172883131 /nfs/dbraw/zinc/88/31/31/172883131.db2.gz IXYFMTGPBDOOTQ-UHFFFAOYSA-N 0 0 249.295 2.688 20 5 BFBDRN COCCCCCNc1ccccc1[N+](=O)[O-] ZINC000058554401 174184475 /nfs/dbraw/zinc/18/44/75/174184475.db2.gz PHLYYDGPTBPMMJ-UHFFFAOYSA-N 0 0 238.287 2.823 20 5 BFBDRN COCCCCOc1ccc([N+](=O)[O-])c(F)c1 ZINC000134688166 174207015 /nfs/dbraw/zinc/20/70/15/174207015.db2.gz BIHDQCGHQVHMLK-UHFFFAOYSA-N 0 0 243.234 2.539 20 5 BFBDRN COCCS/C=C/c1ccc([N+](=O)[O-])o1 ZINC000283787691 174374065 /nfs/dbraw/zinc/37/40/65/174374065.db2.gz FFLIOPCJKRLCIQ-GQCTYLIASA-N 0 0 229.257 2.538 20 5 BFBDRN COc1cc(NC2CCC2)ccc1[N+](=O)[O-] ZINC000082523543 175001618 /nfs/dbraw/zinc/00/16/18/175001618.db2.gz HFEKVEBXZKTPPB-UHFFFAOYSA-N 0 0 222.244 2.568 20 5 BFBDRN COc1ccc([N+](=O)[O-])cc1NCC(C)C ZINC000037058288 175201105 /nfs/dbraw/zinc/20/11/05/175201105.db2.gz QXEVUYZCMGZPDS-UHFFFAOYSA-N 0 0 224.260 2.671 20 5 BFBDRN C[C@@H](N(C)c1ncc([N+](=O)[O-])s1)C1(C)CC1 ZINC000192482287 175794074 /nfs/dbraw/zinc/79/40/74/175794074.db2.gz NALAWXJOGNCMFG-SSDOTTSWSA-N 0 0 241.316 2.676 20 5 BFBDRN C[C@@H](Nc1c([N+](=O)[O-])ncn1C)c1ccccc1 ZINC000008308314 175929037 /nfs/dbraw/zinc/92/90/37/175929037.db2.gz FXZSPQVHCQCLNN-SECBINFHSA-N 0 0 246.270 2.501 20 5 BFBDRN C[C@@H](Nc1ncc([N+](=O)[O-])cn1)c1ccccc1 ZINC000040454344 175937395 /nfs/dbraw/zinc/93/73/95/175937395.db2.gz CNROBVOPBITRPI-SECBINFHSA-N 0 0 244.254 2.558 20 5 BFBDRN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(F)F ZINC000112976072 176019066 /nfs/dbraw/zinc/01/90/66/176019066.db2.gz PXOUJZGAVAABTI-QMMMGPOBSA-N 0 0 244.241 2.853 20 5 BFBDRN C[C@@H]1CCC[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000037251596 176125000 /nfs/dbraw/zinc/12/50/00/176125000.db2.gz LXOZNEOCJCBTIM-NXEZZACHSA-N 0 0 235.287 2.980 20 5 BFBDRN C[C@@H]1CCC[C@H](Nc2ccncc2[N+](=O)[O-])C1 ZINC000037255982 176145250 /nfs/dbraw/zinc/14/52/50/176145250.db2.gz PIXHMJDYHCZRTO-ZJUUUORDSA-N 0 0 235.287 2.980 20 5 BFBDRN C[C@@H]1CCC[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000226772620 176151563 /nfs/dbraw/zinc/15/15/63/176151563.db2.gz SGAAVWOJPMIKRE-RNFRBKRXSA-N 0 0 227.289 2.652 20 5 BFBDRN C[C@@H]1CC[C@@H](N(C)c2ncc([N+](=O)[O-])s2)C1 ZINC000336932033 176206994 /nfs/dbraw/zinc/20/69/94/176206994.db2.gz QMIQYQIZLVVFKV-HTQZYQBOSA-N 0 0 241.316 2.676 20 5 BFBDRN C[C@@H]1CC[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000129630412 176215444 /nfs/dbraw/zinc/21/54/44/176215444.db2.gz BNIOBOJITKWDRC-RKDXNWHRSA-N 0 0 221.260 2.590 20 5 BFBDRN C[C@@H]1CC[C@@H]1Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000309375426 176217464 /nfs/dbraw/zinc/21/74/64/176217464.db2.gz CANHPBYMRATWML-SVRRBLITSA-N 0 0 241.678 2.854 20 5 BFBDRN C[C@@H]1CC[C@H]1Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000310718480 176237467 /nfs/dbraw/zinc/23/74/67/176237467.db2.gz XFLXSWUMRPEDMI-VXNVDRBHSA-N 0 0 246.270 2.682 20 5 BFBDRN C[C@@H]1CC[C@H]1Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000309375418 176237766 /nfs/dbraw/zinc/23/77/66/176237766.db2.gz CANHPBYMRATWML-HTRCEHHLSA-N 0 0 241.678 2.854 20 5 BFBDRN C[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000301453102 176319204 /nfs/dbraw/zinc/31/92/04/176319204.db2.gz QZJULBOSLVJTJB-RKDXNWHRSA-N 0 0 238.262 2.826 20 5 BFBDRN C[C@H](CC1CC1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000112602467 176613097 /nfs/dbraw/zinc/61/30/97/176613097.db2.gz WNJMTSRUKXFKPQ-SECBINFHSA-N 0 0 248.282 2.513 20 5 BFBDRN C[C@H]1CC2(CCC2)CN1c1ncccc1[N+](=O)[O-] ZINC000365440204 177068113 /nfs/dbraw/zinc/06/81/13/177068113.db2.gz AKGQEMYFDYTDSX-JTQLQIEISA-N 0 0 247.298 2.759 20 5 BFBDRN C[C@H]1CCCC[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000020549766 177083767 /nfs/dbraw/zinc/08/37/67/177083767.db2.gz HOCLNGADMRVONQ-UWVGGRQHSA-N 0 0 235.287 2.980 20 5 BFBDRN C[C@H]1CCC[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000037251594 177137912 /nfs/dbraw/zinc/13/79/12/177137912.db2.gz LXOZNEOCJCBTIM-UWVGGRQHSA-N 0 0 235.287 2.980 20 5 BFBDRN C[C@H]1CCC[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000226772625 177142708 /nfs/dbraw/zinc/14/27/08/177142708.db2.gz SGAAVWOJPMIKRE-NKWVEPMBSA-N 0 0 227.289 2.652 20 5 BFBDRN C[C@H]1CCC[C@H]1Nc1cc(N)ccc1[N+](=O)[O-] ZINC000282170238 177142852 /nfs/dbraw/zinc/14/28/52/177142852.db2.gz IARNPKBDYQFIBZ-WCBMZHEXSA-N 0 0 235.287 2.778 20 5 BFBDRN C[C@H]1CC[C@H](CNc2ccccc2[N+](=O)[O-])O1 ZINC000128027720 177202972 /nfs/dbraw/zinc/20/29/72/177202972.db2.gz XWSWXSXWOJQXNJ-VHSXEESVSA-N 0 0 236.271 2.574 20 5 BFBDRN O=[N+]([O-])c1ccc(/C=C/c2cncc(F)c2)nc1 ZINC000487803316 225325205 /nfs/dbraw/zinc/32/52/05/225325205.db2.gz QOBBWKYKQVPEIA-OWOJBTEDSA-N 0 0 245.213 2.694 20 5 BFBDRN Cc1ccoc1CN(C)c1ccc([N+](=O)[O-])nc1 ZINC000488724961 225425558 /nfs/dbraw/zinc/42/55/58/225425558.db2.gz BAUDTPJVKDOXEA-UHFFFAOYSA-N 0 0 247.254 2.528 20 5 BFBDRN Cc1cccc([N+](=O)[O-])c1N1C[C@H](C)[C@H](C)C1 ZINC000499828678 226324654 /nfs/dbraw/zinc/32/46/54/226324654.db2.gz IIERSYRPBFSHKS-PHIMTYICSA-N 0 0 234.299 2.995 20 5 BFBDRN C[C@H](F)CCOc1c(F)cccc1[N+](=O)[O-] ZINC000505504719 226355826 /nfs/dbraw/zinc/35/58/26/226355826.db2.gz BDUJLAAJFLTCMR-ZETCQYMHSA-N 0 0 231.198 2.861 20 5 BFBDRN C[C@H](F)CCSc1ncccc1[N+](=O)[O-] ZINC000505513662 226356156 /nfs/dbraw/zinc/35/61/56/226356156.db2.gz OQPLCBAXRQVTMU-ZETCQYMHSA-N 0 0 230.264 2.830 20 5 BFBDRN C[C@@H](F)CCOc1ccc([N+](=O)[O-])cc1F ZINC000505666271 226358461 /nfs/dbraw/zinc/35/84/61/226358461.db2.gz YLQITVIHPWLYPN-SSDOTTSWSA-N 0 0 231.198 2.861 20 5 BFBDRN C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000034993943 262808691 /nfs/dbraw/zinc/80/86/91/262808691.db2.gz AKUGEAHJMGMZPH-SSDOTTSWSA-N 0 0 224.235 2.944 20 5 BFBDRN O=[N+]([O-])c1ccccc1N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000397713891 262930806 /nfs/dbraw/zinc/93/08/06/262930806.db2.gz QXMDICKDQRQCGY-ILWJIGKKSA-N 0 0 218.256 2.805 20 5 BFBDRN COc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000397782502 262933511 /nfs/dbraw/zinc/93/35/11/262933511.db2.gz ZPKKAICVLOYQGC-ILWJIGKKSA-N 0 0 248.282 2.814 20 5 BFBDRN O=[N+]([O-])c1ccc(SCC(F)(F)F)nc1 ZINC000159711939 323044774 /nfs/dbraw/zinc/04/47/74/323044774.db2.gz BWIQHSTXVOLHAA-UHFFFAOYSA-N 0 0 238.190 2.644 20 5 BFBDRN COCCCCSc1ccc([N+](=O)[O-])cn1 ZINC000160118962 323061039 /nfs/dbraw/zinc/06/10/39/323061039.db2.gz RXLAGXQJKNITQQ-UHFFFAOYSA-N 0 0 242.300 2.509 20 5 BFBDRN CC(C)CC[C@H](C)Nc1c([N+](=O)[O-])ncn1C ZINC000048999994 323156508 /nfs/dbraw/zinc/15/65/08/323156508.db2.gz KDAPRSPLTQKMSQ-VIFPVBQESA-N 0 0 240.307 2.565 20 5 BFBDRN Cc1cc(NC2(CF)CCC2)ncc1[N+](=O)[O-] ZINC000563808370 323178535 /nfs/dbraw/zinc/17/85/35/323178535.db2.gz WQBKEKLFDHROJX-UHFFFAOYSA-N 0 0 239.250 2.602 20 5 BFBDRN CC[C@@H](COC)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000079710369 323673977 /nfs/dbraw/zinc/67/39/77/323673977.db2.gz RIKAEBFVEZMKLW-JTQLQIEISA-N 0 0 238.287 2.740 20 5 BFBDRN C[C@@H](Cn1nccc1[N+](=O)[O-])c1ccccc1 ZINC000127976490 324797673 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/nfs/dbraw/zinc/45/25/40/586452540.db2.gz XRUHALBOOUJCBO-PSASIEDQSA-N 0 0 248.282 2.865 20 5 BFBDRN CC(C)=CCN1CCc2cc([N+](=O)[O-])ccc21 ZINC000809187583 586501006 /nfs/dbraw/zinc/50/10/06/586501006.db2.gz CQXPZEKBVQOQSS-UHFFFAOYSA-N 0 0 232.283 2.924 20 5 BFBDRN Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H](F)C1 ZINC000811842178 586567572 /nfs/dbraw/zinc/56/75/72/586567572.db2.gz ZYCPXTVLSHFMCH-JTQLQIEISA-N 0 0 238.262 2.842 20 5 BFBDRN C[C@@H](COC(=O)C1CCCCCCC1)[N+](=O)[O-] ZINC000813103206 586591962 /nfs/dbraw/zinc/59/19/62/586591962.db2.gz AWDMOPQXSQKVLL-JTQLQIEISA-N 0 0 243.303 2.555 20 5 BFBDRN CC[C@@H](C)CCCCC(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813107209 586592689 /nfs/dbraw/zinc/59/26/89/586592689.db2.gz MPSVYBDAGKLCLC-GHMZBOCLSA-N 0 0 245.319 2.801 20 5 BFBDRN CC[C@H](C)CCCCC(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813107213 586592917 /nfs/dbraw/zinc/59/29/17/586592917.db2.gz MPSVYBDAGKLCLC-WDEREUQCSA-N 0 0 245.319 2.801 20 5 BFBDRN C[C@@H](COC(=O)CC1CCCCCC1)[N+](=O)[O-] ZINC000813108239 586593348 /nfs/dbraw/zinc/59/33/48/586593348.db2.gz WKRPZDYADIAWHL-JTQLQIEISA-N 0 0 243.303 2.555 20 5 BFBDRN CC1CC(OC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000813228823 586597401 /nfs/dbraw/zinc/59/74/01/586597401.db2.gz JFRMZDICJIBKTA-UHFFFAOYSA-N 0 0 235.239 2.550 20 5 BFBDRN Cc1cc(C(=O)OC2CC(C)C2)cc([N+](=O)[O-])c1 ZINC000813235120 586598433 /nfs/dbraw/zinc/59/84/33/586598433.db2.gz XMCKMUDLDGFAQY-UHFFFAOYSA-N 0 0 249.266 2.859 20 5 BFBDRN CCCC[C@@H](CC)CC(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814038086 586612185 /nfs/dbraw/zinc/61/21/85/586612185.db2.gz LVLAVWAAPSQIIS-WDEREUQCSA-N 0 0 245.319 2.801 20 5 BFBDRN CC(C)CCCCCC(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814040148 586612416 /nfs/dbraw/zinc/61/24/16/586612416.db2.gz DOZROOLHFUQLIT-LLVKDONJSA-N 0 0 245.319 2.801 20 5 BFBDRN CC[C@H](C)CCCCC(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814041522 586612653 /nfs/dbraw/zinc/61/26/53/586612653.db2.gz AVYDCPFLUOOEIP-WDEREUQCSA-N 0 0 245.319 2.801 20 5 BFBDRN C[C@H](CC(=O)O[C@@H](C)C[N+](=O)[O-])CC(C)(C)C ZINC000814043104 586612684 /nfs/dbraw/zinc/61/26/84/586612684.db2.gz SXYZYIGJDIWDAF-ZJUUUORDSA-N 0 0 245.319 2.657 20 5 BFBDRN CCCCC[C@@H](C)CC(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814046512 586613063 /nfs/dbraw/zinc/61/30/63/586613063.db2.gz FTRJIVHVUQEUKP-MNOVXSKESA-N 0 0 245.319 2.801 20 5 BFBDRN Cc1cccc([N+](=O)[O-])c1OC(=O)[C@@H]1CC12CC2 ZINC000817442568 586806163 /nfs/dbraw/zinc/80/61/63/586806163.db2.gz YRGXPCZBKVDUNW-VIFPVBQESA-N 0 0 247.250 2.609 20 5 BFBDRN CC[C@H](C)C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000817813194 586829383 /nfs/dbraw/zinc/82/93/83/586829383.db2.gz DKLBCDQVUZLUIK-VIFPVBQESA-N 0 0 237.255 2.684 20 5 BFBDRN C=C=CCNc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000820586185 587056206 /nfs/dbraw/zinc/05/62/06/587056206.db2.gz GMORZAKTRAONRC-UHFFFAOYSA-N 0 0 234.255 2.747 20 5 BFBDRN Cc1ncoc1CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000820592111 587057231 /nfs/dbraw/zinc/05/72/31/587057231.db2.gz WDQIALPHTUWRMZ-UHFFFAOYSA-N 0 0 247.254 2.812 20 5 BFBDRN CC1(C)CC[C@@H]1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000821846303 587143684 /nfs/dbraw/zinc/14/36/84/587143684.db2.gz LMYHOCOUSIQWAQ-NSHDSACASA-N 0 0 249.266 2.940 20 5 BFBDRN Nc1ccc([N+](=O)[O-])c(N[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000826802672 587362762 /nfs/dbraw/zinc/36/27/62/587362762.db2.gz KSKPRLMYBORKND-FXPVBKGRSA-N 0 0 247.298 2.778 20 5 BFBDRN CC(C)[C@@H]1C[C@H]1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000829063727 587481679 /nfs/dbraw/zinc/48/16/79/587481679.db2.gz WKWURIVQWOHDCO-ONGXEEELSA-N 0 0 249.314 2.881 20 5 BFBDRN CC/C=C/CCOC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835091303 587782441 /nfs/dbraw/zinc/78/24/41/587782441.db2.gz JAUTYPSWLKUGSF-AATRIKPKSA-N 0 0 243.303 2.721 20 5 BFBDRN CCCC[C@H](C)OC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835226460 587790480 /nfs/dbraw/zinc/79/04/80/587790480.db2.gz BITLISHCHNOLND-JTQLQIEISA-N 0 0 245.319 2.944 20 5 BFBDRN CCC[C@@H](C)COC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835343700 587797596 /nfs/dbraw/zinc/79/75/96/587797596.db2.gz PAWXFODODQTQDK-SNVBAGLBSA-N 0 0 245.319 2.801 20 5 BFBDRN CCC(CC)COC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835390407 587799577 /nfs/dbraw/zinc/79/95/77/587799577.db2.gz MSDKEUWUWVLZDI-UHFFFAOYSA-N 0 0 245.319 2.801 20 5 BFBDRN Cc1ccc(COC(=O)[C@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000835478424 587804350 /nfs/dbraw/zinc/80/43/50/587804350.db2.gz CEVYPDFMLOWLCU-ONGXEEELSA-N 0 0 249.266 2.602 20 5 BFBDRN C[C@@H]1CN(c2ccc(N)cc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000842048816 587992854 /nfs/dbraw/zinc/99/28/54/587992854.db2.gz KTUWOSWXLPZZTL-UTLUCORTSA-N 0 0 249.314 2.658 20 5 BFBDRN CNc1ccc([N+](=O)[O-])cc1NCCCCF ZINC000843300038 588098218 /nfs/dbraw/zinc/09/82/18/588098218.db2.gz CMNNWKWEYFCLAA-UHFFFAOYSA-N 0 0 241.266 2.798 20 5 BFBDRN C/C=C(/C)C(=O)Nc1cc([N+](=O)[O-])ccc1NC ZINC000843965963 588152338 /nfs/dbraw/zinc/15/23/38/588152338.db2.gz IRQYVGMLLBBXCT-YWEYNIOJSA-N 0 0 249.270 2.541 20 5 BFBDRN CCC[C@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000005561064 588235543 /nfs/dbraw/zinc/23/55/43/588235543.db2.gz BAJPTXADVLNCKW-VIFPVBQESA-N 0 0 237.255 2.940 20 5 BFBDRN CC(C)=CCCOC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000849792155 588499711 /nfs/dbraw/zinc/49/97/11/588499711.db2.gz RLIVDPYKBVQSPF-UHFFFAOYSA-N 0 0 243.303 2.721 20 5 BFBDRN Cc1ccc(OC(=O)CCCF)cc1[N+](=O)[O-] ZINC000850910819 588576238 /nfs/dbraw/zinc/57/62/38/588576238.db2.gz IOOYVLJVPMSUAO-UHFFFAOYSA-N 0 0 241.218 2.558 20 5 BFBDRN CC1CC(COC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000851462036 588605817 /nfs/dbraw/zinc/60/58/17/588605817.db2.gz FFKDVYBVTIYUFC-UHFFFAOYSA-N 0 0 249.266 2.798 20 5 BFBDRN CCCOCOc1ccc(C)cc1[N+](=O)[O-] ZINC000863268304 589275243 /nfs/dbraw/zinc/27/52/43/589275243.db2.gz SHSVZMYGVSVTJF-UHFFFAOYSA-N 0 0 225.244 2.666 20 5 BFBDRN Cc1cnc(OCSC(C)C)c([N+](=O)[O-])c1 ZINC000863309850 589278513 /nfs/dbraw/zinc/27/85/13/589278513.db2.gz YZJKVMRZUUWWNI-UHFFFAOYSA-N 0 0 242.300 2.776 20 5 BFBDRN C[C@H]1C[C@H]1COc1cc([N+](=O)[O-])c(F)cc1F ZINC000863345697 589281708 /nfs/dbraw/zinc/28/17/08/589281708.db2.gz HWLQQPRJBCNKJW-BQBZGAKWSA-N 0 0 243.209 2.908 20 5 BFBDRN CNc1ccc([N+](=O)[O-])cc1NC[C@@H]1C[C@H]1C ZINC000863352469 589282125 /nfs/dbraw/zinc/28/21/25/589282125.db2.gz LUDGLONIRZYAKD-BDAKNGLRSA-N 0 0 235.287 2.704 20 5 BFBDRN Cc1nn(CCCC2CC2)c(C)c1[N+](=O)[O-] ZINC000865332417 589421738 /nfs/dbraw/zinc/42/17/38/589421738.db2.gz INQNIKQVXDMKAW-UHFFFAOYSA-N 0 0 223.276 2.598 20 5 BFBDRN O=[N+]([O-])c1ncccc1OCCCC1CC1 ZINC000865346632 589423149 /nfs/dbraw/zinc/42/31/49/589423149.db2.gz SQUCNBMQSOJSRR-UHFFFAOYSA-N 0 0 222.244 2.559 20 5 BFBDRN Cc1ncc([N+](=O)[O-])n1CC1CC2(CCC2)C1 ZINC000865352131 589423869 /nfs/dbraw/zinc/42/38/69/589423869.db2.gz CTCYXOBVCJXJHJ-UHFFFAOYSA-N 0 0 235.287 2.680 20 5 BFBDRN Cc1nn(C[C@H](C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000865368502 589427207 /nfs/dbraw/zinc/42/72/07/589427207.db2.gz UTXSIEZDZPESIB-QMMMGPOBSA-N 0 0 225.292 2.782 20 5 BFBDRN CON(C)c1ccc([N+](=O)[O-])cc1C(F)F ZINC000865407026 589433339 /nfs/dbraw/zinc/43/33/39/589433339.db2.gz AWQKSJXZHYSDLN-UHFFFAOYSA-N 0 0 232.186 2.530 20 5 BFBDRN CN(CCF)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000865838771 589464269 /nfs/dbraw/zinc/46/42/69/589464269.db2.gz BWHQVCZJNZWOIU-UHFFFAOYSA-N 0 0 249.245 2.549 20 5 BFBDRN Nc1ccc([N+](=O)[O-])c(N[C@H]2CCCC23CC3)c1 ZINC000865994313 589471804 /nfs/dbraw/zinc/47/18/04/589471804.db2.gz KHVSEONFJTXPKW-LBPRGKRZSA-N 0 0 247.298 2.922 20 5 BFBDRN O=[N+]([O-])c1cccnc1N[C@@H]1CCCC[C@@H]1F ZINC000866046124 589473990 /nfs/dbraw/zinc/47/39/90/589473990.db2.gz SOXDDLKSLVDGFD-DTWKUNHWSA-N 0 0 239.250 2.682 20 5 BFBDRN CS[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])s2)C1 ZINC000866101949 589476140 /nfs/dbraw/zinc/47/61/40/589476140.db2.gz XAKOGNTWLWGYQB-LJGSYFOKSA-N 0 0 244.341 2.962 20 5 BFBDRN CC[C@@H](C[C@@H](C)O)Nc1sccc1[N+](=O)[O-] ZINC000866301367 589484334 /nfs/dbraw/zinc/48/43/34/589484334.db2.gz JVHZLUAQNAZFAT-SFYZADRCSA-N 0 0 244.316 2.618 20 5 BFBDRN CCON(CC)c1cc(C)ccc1[N+](=O)[O-] ZINC000866306647 589485416 /nfs/dbraw/zinc/48/54/16/589485416.db2.gz KICNIHYFHOLOIW-UHFFFAOYSA-N 0 0 224.260 2.681 20 5 BFBDRN Cc1conc1COc1ccc(C)cc1[N+](=O)[O-] ZINC000871640231 589780710 /nfs/dbraw/zinc/78/07/10/589780710.db2.gz KYNMHLHWNBQIOK-UHFFFAOYSA-N 0 0 248.238 2.779 20 5 BFBDRN CCOc1cc(Cl)c([N+](=O)[O-])cc1F ZINC000871694677 589793226 /nfs/dbraw/zinc/79/32/26/589793226.db2.gz RIPLENNCBVAGCF-UHFFFAOYSA-N 0 0 219.599 2.786 20 5 BFBDRN O=[N+]([O-])c1cnc(NCCC[C@@H]2C=CCC2)nc1 ZINC000872695794 589962496 /nfs/dbraw/zinc/96/24/96/589962496.db2.gz YLTWRLCUNJNDGH-SNVBAGLBSA-N 0 0 248.286 2.543 20 5 BFBDRN Cc1c(OC(=O)[C@H]2CC2(C)C)cccc1[N+](=O)[O-] ZINC000125596086 590172317 /nfs/dbraw/zinc/17/23/17/590172317.db2.gz UGRPBMBPULWOLV-SECBINFHSA-N 0 0 249.266 2.855 20 5 BFBDRN CC(C)[C@@H](C)OC(=O)c1ccccc1[N+](=O)[O-] ZINC000127569964 590712986 /nfs/dbraw/zinc/71/29/86/590712986.db2.gz DFKNNCGIIQHLJZ-SECBINFHSA-N 0 0 237.255 2.796 20 5 BFBDRN CCC(CC)Nc1ccnc(F)c1[N+](=O)[O-] ZINC000881739633 591268966 /nfs/dbraw/zinc/26/89/66/591268966.db2.gz KYVQCGNBZMURGA-UHFFFAOYSA-N 0 0 227.239 2.729 20 5 BFBDRN CC(=O)c1c([N+](=O)[O-])cccc1N1CCC[C@@H]1C ZINC000882037057 591290300 /nfs/dbraw/zinc/29/03/00/591290300.db2.gz SXYZURVOXAKLGM-VIFPVBQESA-N 0 0 248.282 2.786 20 5 BFBDRN C[C@H]1CC[C@H](Nc2ccnc(F)c2[N+](=O)[O-])C1 ZINC000882230215 591319005 /nfs/dbraw/zinc/31/90/05/591319005.db2.gz YLRCNFQDDIRLRZ-YUMQZZPRSA-N 0 0 239.250 2.729 20 5 BFBDRN CC1(C)CC(Nc2ccnc(F)c2[N+](=O)[O-])C1 ZINC000882639477 591406292 /nfs/dbraw/zinc/40/62/92/591406292.db2.gz OBORUQIYDNIRMZ-UHFFFAOYSA-N 0 0 239.250 2.729 20 5 BFBDRN O=[N+]([O-])c1cnc(NC[C@@H]2C=CCC2)c(F)c1 ZINC000882756892 591430161 /nfs/dbraw/zinc/43/01/61/591430161.db2.gz RAOBBISPAFCSFR-MRVPVSSYSA-N 0 0 237.234 2.507 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CCC[C@H](CF)C2)s1 ZINC000882801477 591443805 /nfs/dbraw/zinc/44/38/05/591443805.db2.gz RRNOGNXVTIJSNN-MRVPVSSYSA-N 0 0 244.291 2.842 20 5 BFBDRN CC[C@H](C)OC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000131276942 591581737 /nfs/dbraw/zinc/58/17/37/591581737.db2.gz NRAIFJZIGSEMTG-ZETCQYMHSA-N 0 0 241.218 2.689 20 5 BFBDRN O=[N+]([O-])c1cccc(NC/C=C/Cl)c1 ZINC000131402371 591608269 /nfs/dbraw/zinc/60/82/69/591608269.db2.gz VNMNOBKPDAGMRJ-GORDUTHDSA-N 0 0 212.636 2.759 20 5 BFBDRN Cc1ccc(OC(=O)C2=CCCC2)cc1[N+](=O)[O-] ZINC000131832682 591666788 /nfs/dbraw/zinc/66/67/88/591666788.db2.gz AHWMKPYGRABHFY-UHFFFAOYSA-N 0 0 247.250 2.919 20 5 BFBDRN Cc1ccc(OC(=O)C2CC=CC2)cc1[N+](=O)[O-] ZINC000131958519 591679144 /nfs/dbraw/zinc/67/91/44/591679144.db2.gz DAUMNDDBHLOVSR-UHFFFAOYSA-N 0 0 247.250 2.775 20 5 BFBDRN O=C(Oc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000000510935 591942832 /nfs/dbraw/zinc/94/28/32/591942832.db2.gz RJWPNHVUFZWZIT-UHFFFAOYSA-N 0 0 243.218 2.814 20 5 BFBDRN C[C@@H]1C[C@H]1Nc1ncc([N+](=O)[O-])c2ccccc21 ZINC000884500922 591959098 /nfs/dbraw/zinc/95/90/98/591959098.db2.gz SJWDNLBXGJPUOF-LDYMZIIASA-N 0 0 243.266 2.963 20 5 BFBDRN Cc1cc(N(C)CCCF)ccc1[N+](=O)[O-] ZINC000884855841 592025144 /nfs/dbraw/zinc/02/51/44/592025144.db2.gz RSJZKDBHSPUFQA-UHFFFAOYSA-N 0 0 226.251 2.699 20 5 BFBDRN C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886127159 592158659 /nfs/dbraw/zinc/15/86/59/592158659.db2.gz CQYHIEDCBZIBSU-PWSUYJOCSA-N 0 0 249.314 2.658 20 5 BFBDRN C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886127160 592159089 /nfs/dbraw/zinc/15/90/89/592159089.db2.gz CQYHIEDCBZIBSU-ZYHUDNBSSA-N 0 0 249.314 2.658 20 5 BFBDRN O=[N+]([O-])c1ccc(OC/C=C/Cl)c(F)c1 ZINC000124048958 634383702 /nfs/dbraw/zinc/38/37/02/634383702.db2.gz ZZIFQGRQLKPKSZ-DAFODLJHSA-N 0 0 231.610 2.865 20 5 BFBDRN C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1ccnn1C ZINC000235545826 635579646 /nfs/dbraw/zinc/57/96/46/635579646.db2.gz KLXOMWLMDSPLHN-VIFPVBQESA-N 0 0 246.270 2.501 20 5 BFBDRN Cc1cc(C(=O)O[C@@H](C)C2CC2)ccc1[N+](=O)[O-] ZINC000066547032 631288676 /nfs/dbraw/zinc/28/86/76/631288676.db2.gz PWNVGDVNGFWVML-VIFPVBQESA-N 0 0 249.266 2.859 20 5 BFBDRN CCCC(=O)Oc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000060733875 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Cc1nc(N2CC[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000610755590 344149300 /nfs/dbraw/zinc/14/93/00/344149300.db2.gz GZXLQHUAJUNLDZ-LLVKDONJSA-N 0 0 249.314 2.781 20 5 BFBDRN CC[C@@]1(C)CCN(c2nc(C)ccc2[N+](=O)[O-])C1 ZINC000610807229 344155212 /nfs/dbraw/zinc/15/52/12/344155212.db2.gz PRRCLBJVZNYHKL-ZDUSSCGKSA-N 0 0 249.314 2.925 20 5 BFBDRN C[C@@H]1C[C@H](C)CCN(c2ccncc2[N+](=O)[O-])C1 ZINC000611031043 344232075 /nfs/dbraw/zinc/23/20/75/344232075.db2.gz DBZXPRLOXARMSB-GHMZBOCLSA-N 0 0 249.314 2.862 20 5 BFBDRN C[C@H]1CCN(c2ccncc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000611031045 344232512 /nfs/dbraw/zinc/23/25/12/344232512.db2.gz DBZXPRLOXARMSB-QWRGUYRKSA-N 0 0 249.314 2.862 20 5 BFBDRN Cc1ccc(CNc2ncc([N+](=O)[O-])s2)cc1 ZINC000083380860 178641648 /nfs/dbraw/zinc/64/16/48/178641648.db2.gz CQWGHWOICRZZRC-UHFFFAOYSA-N 0 0 249.295 2.972 20 5 BFBDRN CCC1(CNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000178191668 168476657 /nfs/dbraw/zinc/47/66/57/168476657.db2.gz DJFKHJFSGANSRK-UHFFFAOYSA-N 0 0 248.282 2.515 20 5 BFBDRN Cc1cnc(Oc2cc(F)cc([N+](=O)[O-])c2)nc1 ZINC000611143484 344264769 /nfs/dbraw/zinc/26/47/69/344264769.db2.gz YIEMWIMVORCTKL-UHFFFAOYSA-N 0 0 249.201 2.625 20 5 BFBDRN C[C@@H]1CCN1c1ccc([N+](=O)[O-])c2cccnc21 ZINC000611296439 344460203 /nfs/dbraw/zinc/46/02/03/344460203.db2.gz CTUCJNRWRMHQFH-SECBINFHSA-N 0 0 243.266 2.742 20 5 BFBDRN CCCCNc1cc(OC)c([N+](=O)[O-])cc1F ZINC000230354769 344534354 /nfs/dbraw/zinc/53/43/54/344534354.db2.gz UJCVEGIAFPOLDP-UHFFFAOYSA-N 0 0 242.250 2.955 20 5 BFBDRN C[C@@H]1CC[C@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000230430655 344679789 /nfs/dbraw/zinc/67/97/89/344679789.db2.gz KNRDSWBEKPMIOK-ZJUUUORDSA-N 0 0 235.287 2.838 20 5 BFBDRN C[C@H]1C[C@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000158734479 344734992 /nfs/dbraw/zinc/73/49/92/344734992.db2.gz LLLXYARVXKUDMM-BQBZGAKWSA-N 0 0 241.678 2.711 20 5 BFBDRN C[C@H]1CCN(c2ccccc2[N+](=O)[O-])C[C@@H]1F ZINC000611494023 344746063 /nfs/dbraw/zinc/74/60/63/344746063.db2.gz BHVOXCIAJDSEFW-UWVGGRQHSA-N 0 0 238.262 2.779 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N2CC=CCC2)c1 ZINC000611509900 344747056 /nfs/dbraw/zinc/74/70/56/344747056.db2.gz HHNWYXSIPSUPTJ-UHFFFAOYSA-N 0 0 218.256 2.670 20 5 BFBDRN CC(C)CN1CCc2c1cccc2[N+](=O)[O-] ZINC000339854778 344688948 /nfs/dbraw/zinc/68/89/48/344688948.db2.gz KNSSSYZGCSCQCG-UHFFFAOYSA-N 0 0 220.272 2.613 20 5 BFBDRN CCC[C@@H](CCO)Nc1ccc([N+](=O)[O-])cc1 ZINC000601212306 344703510 /nfs/dbraw/zinc/70/35/10/344703510.db2.gz YQTYWSIANLIFJI-JTQLQIEISA-N 0 0 238.287 2.558 20 5 BFBDRN CC[C@@H]1C[C@@H](C)CN1c1ccc([N+](=O)[O-])cn1 ZINC000075065916 344764608 /nfs/dbraw/zinc/76/46/08/344764608.db2.gz DLTAZSJTHOVBBO-NXEZZACHSA-N 0 0 235.287 2.615 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(NC2CCCC2)n1 ZINC000611615513 344774162 /nfs/dbraw/zinc/77/41/62/344774162.db2.gz OAABLUIPHOJKFH-UHFFFAOYSA-N 0 0 235.287 2.961 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@H](C)C2CC2)n1 ZINC000611616038 344774522 /nfs/dbraw/zinc/77/45/22/344774522.db2.gz VMPYZMIYIGLGAG-SNVBAGLBSA-N 0 0 249.314 2.841 20 5 BFBDRN Cc1cc(N2CCC[C@H]2C(C)C)ncc1[N+](=O)[O-] ZINC000074743326 344754515 /nfs/dbraw/zinc/75/45/15/344754515.db2.gz QVBPCILALJTDBE-NSHDSACASA-N 0 0 249.314 2.923 20 5 BFBDRN Cc1cc(N2C[C@H](C)CC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000074768969 344756703 /nfs/dbraw/zinc/75/67/03/344756703.db2.gz PDPWSSCGPGDOFK-KOLCDFICSA-N 0 0 249.314 2.923 20 5 BFBDRN CO[C@@H](CNc1ccsc1[N+](=O)[O-])C(C)C ZINC000309486502 347076056 /nfs/dbraw/zinc/07/60/56/347076056.db2.gz VQDCSOVJASICGX-VIFPVBQESA-N 0 0 244.316 2.739 20 5 BFBDRN Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](C)C1 ZINC000076663984 344805264 /nfs/dbraw/zinc/80/52/64/344805264.db2.gz ZVWWMKGMEJDNSB-SECBINFHSA-N 0 0 235.287 2.535 20 5 BFBDRN O=[N+]([O-])c1ccc(N2C[C@@H]3CC=CC[C@@H]3C2)cc1 ZINC000078372107 344856226 /nfs/dbraw/zinc/85/62/26/344856226.db2.gz IMSHCORTHJNUSU-TXEJJXNPSA-N 0 0 244.294 2.997 20 5 BFBDRN CCN(CC)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000078296476 344843675 /nfs/dbraw/zinc/84/36/75/344843675.db2.gz CVLVGDSINYOFKS-UHFFFAOYSA-N 0 0 245.282 2.989 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CCC[C@H]3CCC[C@@H]32)nc1 ZINC000078413153 344863979 /nfs/dbraw/zinc/86/39/79/344863979.db2.gz VNYXJRYGCIXBNL-PWSUYJOCSA-N 0 0 247.298 2.759 20 5 BFBDRN C[C@@H]1SCC[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000235324230 344886835 /nfs/dbraw/zinc/88/68/35/344886835.db2.gz QUFFTKTTZSPPAW-IUCAKERBSA-N 0 0 238.312 2.901 20 5 BFBDRN CC[C@H](Nc1ncc([N+](=O)[O-])cn1)C(C)(C)C ZINC000612784274 344923919 /nfs/dbraw/zinc/92/39/19/344923919.db2.gz MXGRRDOHLIYVST-VIFPVBQESA-N 0 0 238.291 2.621 20 5 BFBDRN C[C@@H]1CCN(c2cccnc2[N+](=O)[O-])CC1(C)C ZINC000612666813 344917364 /nfs/dbraw/zinc/91/73/64/344917364.db2.gz ORNFOQIFGDDCPD-SNVBAGLBSA-N 0 0 249.314 2.862 20 5 BFBDRN C[C@H]1CCN(c2cccnc2[N+](=O)[O-])CC1(C)C ZINC000612666811 344917686 /nfs/dbraw/zinc/91/76/86/344917686.db2.gz ORNFOQIFGDDCPD-JTQLQIEISA-N 0 0 249.314 2.862 20 5 BFBDRN Cc1ccc(Nc2ncc([N+](=O)[O-])cn2)cc1C ZINC000302122021 178782032 /nfs/dbraw/zinc/78/20/32/178782032.db2.gz DQAYACISLVRTGM-UHFFFAOYSA-N 0 0 244.254 2.745 20 5 BFBDRN CCCN(C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000069063487 362497646 /nfs/dbraw/zinc/49/76/46/362497646.db2.gz XBMJZBCVQWIILU-UHFFFAOYSA-N 0 0 245.282 2.989 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CCCSCC2)cc1 ZINC000079932880 345059336 /nfs/dbraw/zinc/05/93/36/345059336.db2.gz PWLPFMWVIVYTED-UHFFFAOYSA-N 0 0 238.312 2.538 20 5 BFBDRN Cc1ccc(Sc2ncc([N+](=O)[O-])cn2)cc1 ZINC000302175942 178830766 /nfs/dbraw/zinc/83/07/66/178830766.db2.gz QWTNKQVQHJQWEY-UHFFFAOYSA-N 0 0 247.279 2.844 20 5 BFBDRN O=[N+]([O-])c1sccc1N[C@@H]1CCSC1 ZINC000307177784 345134548 /nfs/dbraw/zinc/13/45/48/345134548.db2.gz XDCMBUVGWUZONW-ZCFIWIBFSA-N 0 0 230.314 2.574 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CC23CC3)n1 ZINC000425271807 192087228 /nfs/dbraw/zinc/08/72/28/192087228.db2.gz JNJZHNIOCHONMG-VIFPVBQESA-N 0 0 233.271 2.571 20 5 BFBDRN CC[C@@H]1CCCN(c2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000080598209 345324776 /nfs/dbraw/zinc/32/47/76/345324776.db2.gz UAZFSKFQAQBHQR-LLVKDONJSA-N 0 0 249.314 2.925 20 5 BFBDRN O=[N+]([O-])c1cc(F)ccc1N[C@H]1CC12CC2 ZINC000425271649 192087015 /nfs/dbraw/zinc/08/70/15/192087015.db2.gz IXWHKLWYNSCBFL-JTQLQIEISA-N 0 0 222.219 2.698 20 5 BFBDRN Cc1cc([N+](=O)[O-])ccc1N(C)CC1CC1 ZINC000080579397 345310401 /nfs/dbraw/zinc/31/04/01/345310401.db2.gz DSNUHUDNVONLHS-UHFFFAOYSA-N 0 0 220.272 2.749 20 5 BFBDRN O=[N+]([O-])c1cc(F)ccc1N[C@@H]1CC12CC2 ZINC000425271650 192087500 /nfs/dbraw/zinc/08/75/00/192087500.db2.gz IXWHKLWYNSCBFL-SNVBAGLBSA-N 0 0 222.219 2.698 20 5 BFBDRN C/C=C(\C)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000175812439 187306158 /nfs/dbraw/zinc/30/61/58/187306158.db2.gz IXRHBBMKUKHILB-WXLQGSQKSA-N 0 0 248.282 2.738 20 5 BFBDRN C/C=C(\C)C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000176744657 187306681 /nfs/dbraw/zinc/30/66/81/187306681.db2.gz NOEDFNKVZOISPZ-YCRREMRBSA-N 0 0 235.239 2.604 20 5 BFBDRN C[C@@H]1C[C@@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000136087462 345811770 /nfs/dbraw/zinc/81/17/70/345811770.db2.gz ZLQNMFARTCEGFY-RKDXNWHRSA-N 0 0 206.245 2.663 20 5 BFBDRN C[C@@H]1C[C@@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000136090795 345811970 /nfs/dbraw/zinc/81/19/70/345811970.db2.gz NNKAFUZYCHOKGG-HTQZYQBOSA-N 0 0 224.235 2.802 20 5 BFBDRN Cc1nc(N[C@@H](C)C2CCC2)ccc1[N+](=O)[O-] ZINC000159979207 345767420 /nfs/dbraw/zinc/76/74/20/345767420.db2.gz OPSKXEGXMJTXOP-QMMMGPOBSA-N 0 0 235.287 2.899 20 5 BFBDRN C[C@@H]1CC[C@H](C)N1c1ccccc1[N+](=O)[O-] ZINC000221575879 345843912 /nfs/dbraw/zinc/84/39/12/345843912.db2.gz KZYHVSUSVKVMPY-AOOOYVTPSA-N 0 0 220.272 2.972 20 5 BFBDRN Cc1cnc(NC[C@H]2CC23CC3)c([N+](=O)[O-])c1 ZINC000418984427 192091096 /nfs/dbraw/zinc/09/10/96/192091096.db2.gz DJTBCZOKLINSPN-SECBINFHSA-N 0 0 233.271 2.510 20 5 BFBDRN COc1cc(NC[C@H]2CC23CC3)ccc1[N+](=O)[O-] ZINC000418988184 192091976 /nfs/dbraw/zinc/09/19/76/192091976.db2.gz IFNAGEWJSRBWOZ-SECBINFHSA-N 0 0 248.282 2.815 20 5 BFBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccoc1 ZINC000016199993 178931317 /nfs/dbraw/zinc/93/13/17/178931317.db2.gz CDVKXEXGUMBENQ-UHFFFAOYSA-N 0 0 246.222 2.749 20 5 BFBDRN Cc1ccc([N+](=O)[O-])cc1-c1nc(C2CC2)no1 ZINC000264582822 178932013 /nfs/dbraw/zinc/93/20/13/178932013.db2.gz HEXZETVJVJGBMI-UHFFFAOYSA-N 0 0 245.238 2.831 20 5 BFBDRN Cc1cn([C@@H](C)CC(C)C)nc1[N+](=O)[O-] ZINC000418971890 192092714 /nfs/dbraw/zinc/09/27/14/192092714.db2.gz LNJUJLGNLZAMBI-VIFPVBQESA-N 0 0 211.265 2.707 20 5 BFBDRN O=[N+]([O-])c1ccc(NC[C@@H]2CC23CC3)c(F)c1 ZINC000419000793 192096583 /nfs/dbraw/zinc/09/65/83/192096583.db2.gz YLHLYFPWKQLGGH-QMMMGPOBSA-N 0 0 236.246 2.946 20 5 BFBDRN C/C=C/C=C\C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000207771548 187318638 /nfs/dbraw/zinc/31/86/38/187318638.db2.gz CKDJMBPGHMPJGQ-ICWBMWKASA-N 0 0 246.266 2.974 20 5 BFBDRN Cc1cccc(CCCn2cnc([N+](=O)[O-])c2)c1 ZINC000182275664 179056285 /nfs/dbraw/zinc/05/62/85/179056285.db2.gz HPUREYUTPMQLOR-UHFFFAOYSA-N 0 0 245.282 2.733 20 5 BFBDRN Cc1ccn(CC2=CCCCC2)c(=O)c1[N+](=O)[O-] ZINC000336260345 187366519 /nfs/dbraw/zinc/36/65/19/187366519.db2.gz KMTXWRHESYTBCL-UHFFFAOYSA-N 0 0 248.282 2.565 20 5 BFBDRN CC(C)(C)CNc1ncc(F)cc1[N+](=O)[O-] ZINC000401179581 346384875 /nfs/dbraw/zinc/38/48/75/346384875.db2.gz DGNJQJXKNNFBHT-UHFFFAOYSA-N 0 0 227.239 2.587 20 5 BFBDRN C[C@H](Nc1cccnc1[N+](=O)[O-])c1ccccn1 ZINC000159285570 349963536 /nfs/dbraw/zinc/96/35/36/349963536.db2.gz QHPMSCFXTRSUNI-VIFPVBQESA-N 0 0 244.254 2.558 20 5 BFBDRN Cc1cccc(N(C)CC2CC2)c1[N+](=O)[O-] ZINC000302475910 179115089 /nfs/dbraw/zinc/11/50/89/179115089.db2.gz FDBSRXDLZGNNRR-UHFFFAOYSA-N 0 0 220.272 2.749 20 5 BFBDRN CC(C)C1CN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000588005841 346622285 /nfs/dbraw/zinc/62/22/85/346622285.db2.gz LNHWCXKUMSNVMH-UHFFFAOYSA-N 0 0 238.262 2.826 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CCC[C@H]3C[C@H]32)s1 ZINC000588066053 346630960 /nfs/dbraw/zinc/63/09/60/346630960.db2.gz HWZULHCBZLFWEA-JGVFFNPUSA-N 0 0 224.285 2.645 20 5 BFBDRN O=[N+]([O-])c1sccc1N1CCC[C@H]2C[C@H]21 ZINC000588065846 346630982 /nfs/dbraw/zinc/63/09/82/346630982.db2.gz DHRLPOUHIFFFPT-IONNQARKSA-N 0 0 224.285 2.645 20 5 BFBDRN Cc1cc(N2CC[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000589685604 346726926 /nfs/dbraw/zinc/72/69/26/346726926.db2.gz LUUZNLFBEHNTKN-QMMMGPOBSA-N 0 0 224.235 2.641 20 5 BFBDRN Cc1nn(C)c(Nc2cccc(C)c2)c1[N+](=O)[O-] ZINC000265335383 179159382 /nfs/dbraw/zinc/15/93/82/179159382.db2.gz ULVQUKMCFCEHFK-UHFFFAOYSA-N 0 0 246.270 2.689 20 5 BFBDRN COC1(CNc2ccc([N+](=O)[O-])s2)CCC1 ZINC000309981370 347210197 /nfs/dbraw/zinc/21/01/97/347210197.db2.gz WHWZWTJNNMJKQU-UHFFFAOYSA-N 0 0 242.300 2.637 20 5 BFBDRN Cc1cccc([N+](=O)[O-])c1N[C@@H]1CCSC1 ZINC000230919262 179206946 /nfs/dbraw/zinc/20/69/46/179206946.db2.gz QCOMARCIMCTWQB-SECBINFHSA-N 0 0 238.312 2.821 20 5 BFBDRN C[C@@H](CCCCO)Nc1ccc([N+](=O)[O-])s1 ZINC000590711432 347498887 /nfs/dbraw/zinc/49/88/87/347498887.db2.gz HIDKBOSIGKYZJQ-QMMMGPOBSA-N 0 0 244.316 2.619 20 5 BFBDRN CC1(C)OCC[C@H]1Nc1ccc([N+](=O)[O-])s1 ZINC000590710773 347498917 /nfs/dbraw/zinc/49/89/17/347498917.db2.gz NVDPDYQGBTVAOP-SSDOTTSWSA-N 0 0 242.300 2.636 20 5 BFBDRN CCc1nocc1COc1ccccc1[N+](=O)[O-] ZINC000590597402 347479850 /nfs/dbraw/zinc/47/98/50/347479850.db2.gz ICLLTBDNDBNUIS-UHFFFAOYSA-N 0 0 248.238 2.724 20 5 BFBDRN Cc1ccccc1CCCn1nccc1[N+](=O)[O-] ZINC000175744591 179263047 /nfs/dbraw/zinc/26/30/47/179263047.db2.gz SMEVSLIQKSOXDO-UHFFFAOYSA-N 0 0 245.282 2.733 20 5 BFBDRN Cc1ccccc1CCCn1cc([N+](=O)[O-])cn1 ZINC000084646803 179264055 /nfs/dbraw/zinc/26/40/55/179264055.db2.gz UKRTUGWUMFJGCZ-UHFFFAOYSA-N 0 0 245.282 2.733 20 5 BFBDRN C[C@@H]1CC[C@H](CNc2ccc([N+](=O)[O-])s2)O1 ZINC000591175197 347625262 /nfs/dbraw/zinc/62/52/62/347625262.db2.gz KFMIIZWCCXGNDV-HTQZYQBOSA-N 0 0 242.300 2.636 20 5 BFBDRN C[C@@H]1C[C@H](Nc2sccc2[N+](=O)[O-])CS1 ZINC000591192086 347628926 /nfs/dbraw/zinc/62/89/26/347628926.db2.gz NDZWMIBSRCQWFH-RQJHMYQMSA-N 0 0 244.341 2.962 20 5 BFBDRN COCC[C@H](C)CNc1ccsc1[N+](=O)[O-] ZINC000591186501 347631063 /nfs/dbraw/zinc/63/10/63/347631063.db2.gz WHMHMEGYODCOMD-QMMMGPOBSA-N 0 0 244.316 2.741 20 5 BFBDRN COCCCCN(C)c1ccsc1[N+](=O)[O-] ZINC000591370689 347654806 /nfs/dbraw/zinc/65/48/06/347654806.db2.gz BDWAHJYYRGXQHX-UHFFFAOYSA-N 0 0 244.316 2.519 20 5 BFBDRN C[C@@H]1C[C@H]1Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000591906344 347714343 /nfs/dbraw/zinc/71/43/43/347714343.db2.gz QATGSVGVXRFHRD-LDYMZIIASA-N 0 0 247.298 2.689 20 5 BFBDRN CCCCn1ccc2c(cccc2[N+](=O)[O-])c1=O ZINC000592357504 347773544 /nfs/dbraw/zinc/77/35/44/347773544.db2.gz GBHUVLIKIFJVRG-UHFFFAOYSA-N 0 0 246.266 2.710 20 5 BFBDRN COc1ccc([N+](=O)[O-])c(OCC(C)C)c1 ZINC000592360550 347774065 /nfs/dbraw/zinc/77/40/65/347774065.db2.gz BECQEHYLQCPBBW-UHFFFAOYSA-N 0 0 225.244 2.638 20 5 BFBDRN CN(CCC(C)(C)C)c1ncc([N+](=O)[O-])s1 ZINC000591970679 347722888 /nfs/dbraw/zinc/72/28/88/347722888.db2.gz PTUFGUPKNLEYRD-UHFFFAOYSA-N 0 0 243.332 2.924 20 5 BFBDRN Cc1ccccc1CNc1ncc([N+](=O)[O-])s1 ZINC000083380862 179286273 /nfs/dbraw/zinc/28/62/73/179286273.db2.gz SUOHUBJIOINQGX-UHFFFAOYSA-N 0 0 249.295 2.972 20 5 BFBDRN C[C@H]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000201127038 347871939 /nfs/dbraw/zinc/87/19/39/347871939.db2.gz QVEKGNWANCPNJS-ZETCQYMHSA-N 0 0 242.225 2.719 20 5 BFBDRN Cc1cc(N2CCC23CCCC3)ncc1[N+](=O)[O-] ZINC000593483186 347897024 /nfs/dbraw/zinc/89/70/24/347897024.db2.gz DSSKHSRMUVJDJB-UHFFFAOYSA-N 0 0 247.298 2.821 20 5 BFBDRN COc1cccc([N+](=O)[O-])c1NCCC1CC1 ZINC000594553770 348068101 /nfs/dbraw/zinc/06/81/01/348068101.db2.gz ACCKDLBSDRJRHR-UHFFFAOYSA-N 0 0 236.271 2.815 20 5 BFBDRN COc1cccc([N+](=O)[O-])c1N1CCC[C@H]2C[C@H]21 ZINC000594580832 348075629 /nfs/dbraw/zinc/07/56/29/348075629.db2.gz TWNJRLBWFFIPEQ-GXSJLCMTSA-N 0 0 248.282 2.592 20 5 BFBDRN COc1cccc([N+](=O)[O-])c1N1CCC2(CC2)C1 ZINC000594585070 348076883 /nfs/dbraw/zinc/07/68/83/348076883.db2.gz QWAOVVXQTQTDET-UHFFFAOYSA-N 0 0 248.282 2.594 20 5 BFBDRN O=[N+]([O-])c1ccsc1N1CC2(CC2(F)F)C1 ZINC000594589703 348078711 /nfs/dbraw/zinc/07/87/11/348078711.db2.gz PJOCBUPDPIMYFQ-UHFFFAOYSA-N 0 0 246.238 2.502 20 5 BFBDRN Cc1cn(CCC(C)(C)C2CC2)nc1[N+](=O)[O-] ZINC000594491314 348062495 /nfs/dbraw/zinc/06/24/95/348062495.db2.gz PCSXWFRNVZHWFN-UHFFFAOYSA-N 0 0 237.303 2.926 20 5 BFBDRN Cc1cnc(OCC2CC=CC2)c([N+](=O)[O-])c1 ZINC000594894576 348127509 /nfs/dbraw/zinc/12/75/09/348127509.db2.gz CMFHZTATERYAIK-UHFFFAOYSA-N 0 0 234.255 2.643 20 5 BFBDRN COc1ccc([N+](=O)[O-])cc1OCC1CC=CC1 ZINC000594878509 348118143 /nfs/dbraw/zinc/11/81/43/348118143.db2.gz BZPVAISNSORAFO-UHFFFAOYSA-N 0 0 249.266 2.948 20 5 BFBDRN CCC(CC)COc1cccnc1[N+](=O)[O-] ZINC000594882370 348120046 /nfs/dbraw/zinc/12/00/46/348120046.db2.gz SQQHUUZXNVNEQG-UHFFFAOYSA-N 0 0 224.260 2.805 20 5 BFBDRN COc1ccc([N+](=O)[O-])c(OCC2CC=CC2)c1 ZINC000594908371 348136985 /nfs/dbraw/zinc/13/69/85/348136985.db2.gz JPFCRHRVHQCWCB-UHFFFAOYSA-N 0 0 249.266 2.948 20 5 BFBDRN Cc1cnc(OCCC2CCC2)c([N+](=O)[O-])c1 ZINC000594896240 348129769 /nfs/dbraw/zinc/12/97/69/348129769.db2.gz TVUDGVIFQVBZKY-UHFFFAOYSA-N 0 0 236.271 2.867 20 5 BFBDRN CC[C@@H](CC(F)F)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000594896893 348130424 /nfs/dbraw/zinc/13/04/24/348130424.db2.gz ANFMFFHWMASHAX-QMMMGPOBSA-N 0 0 247.245 2.781 20 5 BFBDRN O=[N+]([O-])c1cc(F)ccc1CN1CCCCC1 ZINC000595291712 348213935 /nfs/dbraw/zinc/21/39/35/348213935.db2.gz QMBSOSGTGNTESC-UHFFFAOYSA-N 0 0 238.262 2.720 20 5 BFBDRN Cc1noc(CSCC(C)C)c1[N+](=O)[O-] ZINC000596008865 348412295 /nfs/dbraw/zinc/41/22/95/348412295.db2.gz ATYBCMRYSWVKDO-UHFFFAOYSA-N 0 0 230.289 2.780 20 5 BFBDRN O=c1[nH]ccc(SC2CCCC2)c1[N+](=O)[O-] ZINC000596055750 348434792 /nfs/dbraw/zinc/43/47/92/348434792.db2.gz MJHJPYLIAOFJNB-UHFFFAOYSA-N 0 0 240.284 2.730 20 5 BFBDRN Cc1cnc(OC[C@@H]2C[C@H]3C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000596022478 348423735 /nfs/dbraw/zinc/42/37/35/348423735.db2.gz JSZSPQSWEIAUQV-JGPRNRPPSA-N 0 0 248.282 2.723 20 5 BFBDRN CCC[C@@H](CC)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596097981 348445477 /nfs/dbraw/zinc/44/54/77/348445477.db2.gz LTDGSTOCARTNIM-MRVPVSSYSA-N 0 0 239.275 2.686 20 5 BFBDRN CC[C@@H](CCO)Nc1cc(C)sc1[N+](=O)[O-] ZINC000596135210 348447725 /nfs/dbraw/zinc/44/77/25/348447725.db2.gz FIKRVXLJYADKJQ-QMMMGPOBSA-N 0 0 244.316 2.538 20 5 BFBDRN Cc1cc(SC[C@@H](C)CO)c([N+](=O)[O-])s1 ZINC000596138942 348449220 /nfs/dbraw/zinc/44/92/20/348449220.db2.gz PISMTZDFZNNJBU-LURJTMIESA-N 0 0 247.341 2.685 20 5 BFBDRN Cc1cc(S[C@@H](C)[C@@H](C)O)c([N+](=O)[O-])s1 ZINC000596141624 348449431 /nfs/dbraw/zinc/44/94/31/348449431.db2.gz IBUFRDFXVNVSMN-RQJHMYQMSA-N 0 0 247.341 2.826 20 5 BFBDRN C[C@@H]1CCCN1c1c(Cl)cncc1[N+](=O)[O-] ZINC000596145845 348451632 /nfs/dbraw/zinc/45/16/32/348451632.db2.gz YQHHFQALEYKFQG-SSDOTTSWSA-N 0 0 241.678 2.632 20 5 BFBDRN Cc1cc(N2CC(C(F)F)C2)c([N+](=O)[O-])s1 ZINC000596163187 348460076 /nfs/dbraw/zinc/46/00/76/348460076.db2.gz TZZOADDPFCQJEE-UHFFFAOYSA-N 0 0 248.254 2.666 20 5 BFBDRN Cc1cc(NCCC[C@@H](C)O)c([N+](=O)[O-])s1 ZINC000596214919 348467363 /nfs/dbraw/zinc/46/73/63/348467363.db2.gz NCCXAJJIVUDXPF-SSDOTTSWSA-N 0 0 244.316 2.538 20 5 BFBDRN Cc1cc(N2C[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596247708 348471950 /nfs/dbraw/zinc/47/19/50/348471950.db2.gz LAIGMBNYUAWEGS-ZJUUUORDSA-N 0 0 220.272 2.748 20 5 BFBDRN Cc1cc(N2C[C@@H](C)[C@H]2C)c([N+](=O)[O-])s1 ZINC000596251896 348474235 /nfs/dbraw/zinc/47/42/35/348474235.db2.gz YSPKCIJEVQQVNH-HTRCEHHLSA-N 0 0 226.301 2.809 20 5 BFBDRN Cc1cn(C[C@@H]2CC[C@@H]3C[C@@H]3C2)nc1[N+](=O)[O-] ZINC000596277185 348494669 /nfs/dbraw/zinc/49/46/69/348494669.db2.gz BHXDALGMVVKPDZ-MXWKQRLJSA-N 0 0 235.287 2.536 20 5 BFBDRN Cc1noc(COc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000596237899 348482846 /nfs/dbraw/zinc/48/28/46/348482846.db2.gz CBKQEVRGPZIYOI-UHFFFAOYSA-N 0 0 248.238 2.779 20 5 BFBDRN CCCSCc1onc(C)c1[N+](=O)[O-] ZINC000596332015 348495647 /nfs/dbraw/zinc/49/56/47/348495647.db2.gz HBAVWBWBTVYMIB-UHFFFAOYSA-N 0 0 216.262 2.534 20 5 BFBDRN C/C=C\CSCc1onc(C)c1[N+](=O)[O-] ZINC000596338956 348498605 /nfs/dbraw/zinc/49/86/05/348498605.db2.gz CISVZOGFVGRNSJ-ARJAWSKDSA-N 0 0 228.273 2.701 20 5 BFBDRN 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C[C@@H]1SCC[C@@H]1Nc1sccc1[N+](=O)[O-] ZINC000592000603 388145478 /nfs/dbraw/zinc/14/54/78/388145478.db2.gz ATOJHGVDNBZHNU-BQBZGAKWSA-N 0 0 244.341 2.962 20 5 BFBDRN C[C@@H]1SCC[C@H]1Nc1sccc1[N+](=O)[O-] ZINC000592000642 388145918 /nfs/dbraw/zinc/14/59/18/388145918.db2.gz ATOJHGVDNBZHNU-NKWVEPMBSA-N 0 0 244.341 2.962 20 5 BFBDRN CN(c1ccccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000302861439 388345940 /nfs/dbraw/zinc/34/59/40/388345940.db2.gz PWEDTUFQHPGJFS-LLVKDONJSA-N 0 0 220.272 2.830 20 5 BFBDRN Nc1ccc([N+](=O)[O-])c(N[C@H]2CC=CCC2)c1 ZINC000193448795 388352286 /nfs/dbraw/zinc/35/22/86/388352286.db2.gz YHNOVBROSSJIHG-JTQLQIEISA-N 0 0 233.271 2.698 20 5 BFBDRN Cc1ccc(NC(=O)/C=C\C2CC2)cc1[N+](=O)[O-] ZINC000491925571 388352411 /nfs/dbraw/zinc/35/24/11/388352411.db2.gz MVDOUBJQJJHVCC-ALCCZGGFSA-N 0 0 246.266 2.808 20 5 BFBDRN CC[C@H]1C[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000227012952 388357310 /nfs/dbraw/zinc/35/73/10/388357310.db2.gz QUJSDXFJWJSXCG-WPRPVWTQSA-N 0 0 206.245 2.805 20 5 BFBDRN CC[C@H]1C[C@@H]1Nc1nccc(C)c1[N+](=O)[O-] ZINC000227116771 388359120 /nfs/dbraw/zinc/35/91/20/388359120.db2.gz QCOGJKZPVWATQO-IUCAKERBSA-N 0 0 221.260 2.509 20 5 BFBDRN O=[N+]([O-])c1cnc(NCC2CCC2)c(Cl)c1 ZINC000227649194 388368167 /nfs/dbraw/zinc/36/81/67/388368167.db2.gz XGSZFUKEMPYEOP-UHFFFAOYSA-N 0 0 241.678 2.855 20 5 BFBDRN CCCCNc1ncc([N+](=O)[O-])cc1Cl ZINC000227647570 388368231 /nfs/dbraw/zinc/36/82/31/388368231.db2.gz OQMXJHSRUJXQLY-UHFFFAOYSA-N 0 0 229.667 2.855 20 5 BFBDRN CCC(CC)Cn1c(C)ncc1[N+](=O)[O-] ZINC000594887220 388369910 /nfs/dbraw/zinc/36/99/10/388369910.db2.gz IXGPRRWYFJZNMU-UHFFFAOYSA-N 0 0 211.265 2.536 20 5 BFBDRN O=[N+]([O-])c1cc(F)c(NC2CCC2)c(F)c1 ZINC000227890041 388372689 /nfs/dbraw/zinc/37/26/89/388372689.db2.gz BTLNMFNIUIFTKU-UHFFFAOYSA-N 0 0 228.198 2.837 20 5 BFBDRN O=[N+]([O-])c1ccc(CNc2cncc(F)c2)cc1 ZINC000306020073 388377897 /nfs/dbraw/zinc/37/78/97/388377897.db2.gz ZGWDZZYDSZSCDS-UHFFFAOYSA-N 0 0 247.229 2.741 20 5 BFBDRN C[C@@H]1[C@@H](C)CN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595505378 388387574 /nfs/dbraw/zinc/38/75/74/388387574.db2.gz QKKYGPAKJLJFPK-DTWKUNHWSA-N 0 0 238.262 2.574 20 5 BFBDRN C[C@@H](NC(=O)CC1CC1)c1ccccc1[N+](=O)[O-] ZINC000271813123 388406209 /nfs/dbraw/zinc/40/62/09/388406209.db2.gz UPWFMEIRBUKRNC-SECBINFHSA-N 0 0 248.282 2.572 20 5 BFBDRN CCCC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271827628 388406307 /nfs/dbraw/zinc/40/63/07/388406307.db2.gz WPOPCJJQHJEVLH-VIFPVBQESA-N 0 0 236.271 2.572 20 5 BFBDRN CC(=O)c1ccc(OCCC2CC2)c([N+](=O)[O-])c1 ZINC000229512234 388393008 /nfs/dbraw/zinc/39/30/08/388393008.db2.gz NOCIJJRBJFWZLW-UHFFFAOYSA-N 0 0 249.266 2.976 20 5 BFBDRN CSCCOc1cc([N+](=O)[O-])ccc1Cl ZINC000134218540 388396288 /nfs/dbraw/zinc/39/62/88/388396288.db2.gz PFVWRFRFIRPXBS-UHFFFAOYSA-N 0 0 247.703 2.990 20 5 BFBDRN CCCCCSc1c([N+](=O)[O-])c(C)nn1C ZINC000271703476 388398732 /nfs/dbraw/zinc/39/87/32/388398732.db2.gz NZZFGFYPKOVSSF-UHFFFAOYSA-N 0 0 243.332 2.919 20 5 BFBDRN 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CCC1(C)CN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000297511849 388633889 /nfs/dbraw/zinc/63/38/89/388633889.db2.gz XGPAIJGCZLPWOW-UHFFFAOYSA-N 0 0 234.299 2.827 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CC3(C2)CCCCC3)nc1 ZINC000273949681 388637674 /nfs/dbraw/zinc/63/76/74/388637674.db2.gz MRJOSTYKRVSEGG-UHFFFAOYSA-N 0 0 247.298 2.760 20 5 BFBDRN Cc1nc(N(C)CC2CCCC2)ccc1[N+](=O)[O-] ZINC000301660804 388661007 /nfs/dbraw/zinc/66/10/07/388661007.db2.gz UISWOKKFEDVSJY-UHFFFAOYSA-N 0 0 249.314 2.925 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C)[C@H](C)C2)c1 ZINC000447058760 388734861 /nfs/dbraw/zinc/73/48/61/388734861.db2.gz VIOFFPOJKSRNJC-GHMZBOCLSA-N 0 0 234.299 2.995 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]2C)c1 ZINC000447054994 388735403 /nfs/dbraw/zinc/73/54/03/388735403.db2.gz CSOMNCMJAFLMBP-SNVBAGLBSA-N 0 0 220.272 2.892 20 5 BFBDRN CC1(C)SC[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000276450732 388739444 /nfs/dbraw/zinc/73/94/44/388739444.db2.gz LNRJMNWCWUUXIT-SNVBAGLBSA-N 0 0 238.312 2.901 20 5 BFBDRN 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CC[C@@H](C)COc1ccc([N+](=O)[O-])c(CO)c1 ZINC000428068819 388719468 /nfs/dbraw/zinc/71/94/68/388719468.db2.gz GQCYJOAXBLUMEQ-SECBINFHSA-N 0 0 239.271 2.512 20 5 BFBDRN CCCCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000299255729 388728741 /nfs/dbraw/zinc/72/87/41/388728741.db2.gz GUFSYJKMSGTVQY-UHFFFAOYSA-N 0 0 236.271 2.748 20 5 BFBDRN CCCc1nccn1Cc1ccc([N+](=O)[O-])cc1 ZINC000070535661 388730785 /nfs/dbraw/zinc/73/07/85/388730785.db2.gz ICBFYEFRYNELHO-UHFFFAOYSA-N 0 0 245.282 2.792 20 5 BFBDRN CC[C@H]1[C@H](C)CCN1c1ncccc1[N+](=O)[O-] ZINC000274781862 388732804 /nfs/dbraw/zinc/73/28/04/388732804.db2.gz WOJIKYACDLKECE-ZJUUUORDSA-N 0 0 235.287 2.615 20 5 BFBDRN CSCCCN(C)c1ccc([N+](=O)[O-])cc1 ZINC000281905385 388810010 /nfs/dbraw/zinc/81/00/10/388810010.db2.gz PWNISCIDEXUWNP-UHFFFAOYSA-N 0 0 240.328 2.784 20 5 BFBDRN O=[N+]([O-])c1cc(Cl)ccc1NCCF ZINC000280686077 388785671 /nfs/dbraw/zinc/78/56/71/388785671.db2.gz FDJOAKOYJNANCP-UHFFFAOYSA-N 0 0 218.615 2.630 20 5 BFBDRN 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0 0 249.266 2.818 20 5 BFBDRN CC1(COC(=O)c2ccccc2[N+](=O)[O-])CCC1 ZINC000764120203 585460342 /nfs/dbraw/zinc/46/03/42/585460342.db2.gz JJQOUPKEPKDBBB-UHFFFAOYSA-N 0 0 249.266 2.942 20 5 BFBDRN Cc1c(COC(=O)[C@H]2C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000769141785 585550011 /nfs/dbraw/zinc/55/00/11/585550011.db2.gz SCRLUNVTYIYJIM-KWQFWETISA-N 0 0 249.266 2.602 20 5 BFBDRN Cc1cc2c(cc1[N+](=O)[O-])N(CC1CC1)CC2 ZINC000774540245 585660924 /nfs/dbraw/zinc/66/09/24/585660924.db2.gz GEHSOMBLYUJVCN-UHFFFAOYSA-N 0 0 232.283 2.676 20 5 BFBDRN CCCN1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000774543283 585660927 /nfs/dbraw/zinc/66/09/27/585660927.db2.gz UWLOYTIJAUBAPV-UHFFFAOYSA-N 0 0 220.272 2.676 20 5 BFBDRN CC(=O)O[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000778742235 585740195 /nfs/dbraw/zinc/74/01/95/585740195.db2.gz KPLSGTSPSNCYDG-QMMMGPOBSA-N 0 0 223.228 2.527 20 5 BFBDRN Cc1cc(C(=O)O[C@@H]2C=CCC2)ccc1[N+](=O)[O-] ZINC000780552134 585780706 /nfs/dbraw/zinc/78/07/06/585780706.db2.gz MZZUGIBJHIZKJI-LLVKDONJSA-N 0 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BFBDRN CC(C)[C@H]1CCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000800857519 586234627 /nfs/dbraw/zinc/23/46/27/586234627.db2.gz VVJDUGULAQVWFA-JTQLQIEISA-N 0 0 249.314 2.659 20 5 BFBDRN CC1=C[C@H](C)CN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000800871046 586235370 /nfs/dbraw/zinc/23/53/70/586235370.db2.gz DYRCQVGHXMTPEK-VIFPVBQESA-N 0 0 247.298 2.579 20 5 BFBDRN C[C@@H]1CC[C@@H](Nc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000800868668 586235378 /nfs/dbraw/zinc/23/53/78/586235378.db2.gz IEQJRPFJDFYBEN-PSASIEDQSA-N 0 0 235.287 2.778 20 5 BFBDRN Nc1ccc(NCc2ccsc2)c([N+](=O)[O-])c1 ZINC000804348553 586392861 /nfs/dbraw/zinc/39/28/61/586392861.db2.gz CCMDBPPLZHMAMP-UHFFFAOYSA-N 0 0 249.295 2.851 20 5 BFBDRN CC1(C)CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000804420463 586395259 /nfs/dbraw/zinc/39/52/59/586395259.db2.gz IZEYVBSCYIHYKS-UHFFFAOYSA-N 0 0 249.314 2.803 20 5 BFBDRN CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1C[C@@H]1C ZINC000807940571 586452267 /nfs/dbraw/zinc/45/22/67/586452267.db2.gz XRUHALBOOUJCBO-WPRPVWTQSA-N 0 0 248.282 2.865 20 5 BFBDRN CC[C@H]1CCN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000813639796 586604897 /nfs/dbraw/zinc/60/48/97/586604897.db2.gz MFFSJVFQIFHXRZ-ZETCQYMHSA-N 0 0 242.225 2.862 20 5 BFBDRN CCCCC[C@@H](C)CC(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814046511 586612963 /nfs/dbraw/zinc/61/29/63/586612963.db2.gz FTRJIVHVUQEUKP-GHMZBOCLSA-N 0 0 245.319 2.801 20 5 BFBDRN CCSCOc1c(F)cccc1[N+](=O)[O-] ZINC000814760915 586632939 /nfs/dbraw/zinc/63/29/39/586632939.db2.gz BVYXWPKRHSUXOJ-UHFFFAOYSA-N 0 0 231.248 2.823 20 5 BFBDRN CCC1(COC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000816184504 586712370 /nfs/dbraw/zinc/71/23/70/586712370.db2.gz BDJJILPKIFBVEI-UHFFFAOYSA-N 0 0 249.266 2.942 20 5 BFBDRN CCC1(COC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000816184507 586712525 /nfs/dbraw/zinc/71/25/25/586712525.db2.gz BESPGEUPSRJNIR-UHFFFAOYSA-N 0 0 249.266 2.942 20 5 BFBDRN Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H]1CC12CC2 ZINC000817426816 586804441 /nfs/dbraw/zinc/80/44/41/586804441.db2.gz KIOFKXSSXUTJQB-JTQLQIEISA-N 0 0 247.250 2.609 20 5 BFBDRN CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC12CC2 ZINC000819941097 587003842 /nfs/dbraw/zinc/00/38/42/587003842.db2.gz GUPQMQZDWSGLMW-LBPRGKRZSA-N 0 0 246.266 2.762 20 5 BFBDRN Cc1ncoc1CNc1ccccc1[N+](=O)[O-] ZINC000820592068 587057248 /nfs/dbraw/zinc/05/72/48/587057248.db2.gz VEKDQAWKCDKZEF-UHFFFAOYSA-N 0 0 233.227 2.503 20 5 BFBDRN CC1(C)CC[C@H]1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000821846302 587143790 /nfs/dbraw/zinc/14/37/90/587143790.db2.gz LMYHOCOUSIQWAQ-LLVKDONJSA-N 0 0 249.266 2.940 20 5 BFBDRN O=[N+]([O-])c1ccc(Cl)cc1N1CC[C@@H](F)C1 ZINC000828447939 587442960 /nfs/dbraw/zinc/44/29/60/587442960.db2.gz AWXWDLXBUCTXBH-MRVPVSSYSA-N 0 0 244.653 2.796 20 5 BFBDRN Nc1ccc(NC[C@@H]2C[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000829476892 587499648 /nfs/dbraw/zinc/49/96/48/587499648.db2.gz DCJAWDNAMAEOFW-ONGXEEELSA-N 0 0 247.298 2.635 20 5 BFBDRN CCSCOc1ccc([N+](=O)[O-])c(F)c1F ZINC000829883885 587527286 /nfs/dbraw/zinc/52/72/86/587527286.db2.gz RDYGPCPIGWGKBU-UHFFFAOYSA-N 0 0 249.238 2.962 20 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245.319 2.657 20 5 BFBDRN CC(C)=CC(=O)OCc1ccc(C)c([N+](=O)[O-])c1 ZINC000835483619 587804585 /nfs/dbraw/zinc/80/45/85/587804585.db2.gz CEPKPRWOEVVXFS-UHFFFAOYSA-N 0 0 249.266 2.913 20 5 BFBDRN C[C@@H]1CN(c2cc(N)ccc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000842049382 587992953 /nfs/dbraw/zinc/99/29/53/587992953.db2.gz RPYNPXMITXMUMT-UTLUCORTSA-N 0 0 249.314 2.658 20 5 BFBDRN CNc1ccc([N+](=O)[O-])cc1NCC(C)C ZINC000843298377 588098051 /nfs/dbraw/zinc/09/80/51/588098051.db2.gz OSINGBYMOVXFMA-UHFFFAOYSA-N 0 0 223.276 2.704 20 5 BFBDRN CCC(CC)(CC)C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851126946 588592547 /nfs/dbraw/zinc/59/25/47/588592547.db2.gz RSIDTVAXGRHTTA-UHFFFAOYSA-N 0 0 245.319 2.801 20 5 BFBDRN CC(C)(COC(=O)CC1(C)CCCC1)[N+](=O)[O-] ZINC000851130148 588593350 /nfs/dbraw/zinc/59/33/50/588593350.db2.gz RRWPZAKQBJYLHX-UHFFFAOYSA-N 0 0 243.303 2.555 20 5 BFBDRN CCCC[C@](C)(F)C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851130502 588593458 /nfs/dbraw/zinc/59/34/58/588593458.db2.gz UHXKZALNMFJMHJ-NSHDSACASA-N 0 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Cc1cnc(N[C@H]2CC[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC000340871669 384732386 /nfs/dbraw/zinc/73/23/86/384732386.db2.gz HUCSGFJADMTFRK-BDAKNGLRSA-N 0 0 239.250 2.601 20 5 BFBDRN CN(CCF)c1nccc2c1cccc2[N+](=O)[O-] ZINC000601168965 384794463 /nfs/dbraw/zinc/79/44/63/384794463.db2.gz HARKGSQMEBOKIA-UHFFFAOYSA-N 0 0 249.245 2.549 20 5 BFBDRN CO[C@@H](C)COc1c(Cl)cccc1[N+](=O)[O-] ZINC000181023809 384886952 /nfs/dbraw/zinc/88/69/52/384886952.db2.gz GUONQQMUQYEVGN-ZETCQYMHSA-N 0 0 245.662 2.662 20 5 BFBDRN C[C@@H]1CCC(=O)[C@H](Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000450628409 384847462 /nfs/dbraw/zinc/84/74/62/384847462.db2.gz YFDYXJMVPXCUMF-NOZJJQNGSA-N 0 0 249.266 2.731 20 5 BFBDRN CCOCCSc1cccc([N+](=O)[O-])c1 ZINC000337761472 384899560 /nfs/dbraw/zinc/89/95/60/384899560.db2.gz PHJYMDNWBCECNM-UHFFFAOYSA-N 0 0 227.285 2.723 20 5 BFBDRN Cc1cncc(NCc2csc([N+](=O)[O-])c2)c1 ZINC000119621246 384907365 /nfs/dbraw/zinc/90/73/65/384907365.db2.gz BTFSUBSAXRHCOG-UHFFFAOYSA-N 0 0 249.295 2.972 20 5 BFBDRN CC[C@@H](CNc1ccc([N+](=O)[O-])c(C)c1)OC ZINC000290750825 384946228 /nfs/dbraw/zinc/94/62/28/384946228.db2.gz SMFIBHHQHPJDOJ-NSHDSACASA-N 0 0 238.287 2.740 20 5 BFBDRN Cc1cccc(NC[C@H]2C[C@@H]2C)c1[N+](=O)[O-] ZINC000227536914 384970554 /nfs/dbraw/zinc/97/05/54/384970554.db2.gz GWMSLCTVSJPUFI-VHSXEESVSA-N 0 0 220.272 2.971 20 5 BFBDRN CCSCCOc1cc(F)cc([N+](=O)[O-])c1 ZINC000135361217 385033205 /nfs/dbraw/zinc/03/32/05/385033205.db2.gz KHYSYBQCQCXRDW-UHFFFAOYSA-N 0 0 245.275 2.866 20 5 BFBDRN CC(C)=CCOc1cccc([N+](=O)[O-])c1 ZINC000551749009 385037065 /nfs/dbraw/zinc/03/70/65/385037065.db2.gz BJDOFMJZMHLZSL-UHFFFAOYSA-N 0 0 207.229 2.940 20 5 BFBDRN Cc1cnc(NCCC2CC2)c([N+](=O)[O-])c1 ZINC000085426924 385174711 /nfs/dbraw/zinc/17/47/11/385174711.db2.gz IZVNZAFSMHWZDW-UHFFFAOYSA-N 0 0 221.260 2.510 20 5 BFBDRN CC[C@@H](C)CNc1ncc(C)cc1[N+](=O)[O-] ZINC000085426899 385176760 /nfs/dbraw/zinc/17/67/60/385176760.db2.gz ABSVAPXFTXVJQV-MRVPVSSYSA-N 0 0 223.276 2.756 20 5 BFBDRN CSCCCOc1cc(F)ccc1[N+](=O)[O-] ZINC000126108999 385178030 /nfs/dbraw/zinc/17/80/30/385178030.db2.gz VGRUHKGBVXFVNX-UHFFFAOYSA-N 0 0 245.275 2.866 20 5 BFBDRN CSCCCOc1cccc([N+](=O)[O-])c1 ZINC000153654480 385271461 /nfs/dbraw/zinc/27/14/61/385271461.db2.gz GJPYLQLIFAADSJ-UHFFFAOYSA-N 0 0 227.285 2.727 20 5 BFBDRN C[C@@H](CC(C)(C)O)Nc1ccccc1[N+](=O)[O-] ZINC000294995223 385363791 /nfs/dbraw/zinc/36/37/91/385363791.db2.gz NPCJEPGDGZYRCR-VIFPVBQESA-N 0 0 238.287 2.556 20 5 BFBDRN O=[N+]([O-])c1cccnc1NCC1(C2CC2)CCC1 ZINC000128393625 385470226 /nfs/dbraw/zinc/47/02/26/385470226.db2.gz LVPVRDSOXXIDAP-UHFFFAOYSA-N 0 0 247.298 2.982 20 5 BFBDRN CC(C)[C@]1(C)C[C@@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000397320692 385592593 /nfs/dbraw/zinc/59/25/93/385592593.db2.gz VOSNQWVDOWMBBP-XVKPBYJWSA-N 0 0 241.316 2.898 20 5 BFBDRN Cc1ccoc1CN(C)c1ncccc1[N+](=O)[O-] ZINC000292251713 385632051 /nfs/dbraw/zinc/63/20/51/385632051.db2.gz KEKPQNMLEHAFQS-UHFFFAOYSA-N 0 0 247.254 2.528 20 5 BFBDRN C[C@@H](Nc1ncccc1[N+](=O)[O-])C(C)(C)C ZINC000085705329 385635599 /nfs/dbraw/zinc/63/55/99/385635599.db2.gz HGFLHGWNRGYSLS-MRVPVSSYSA-N 0 0 223.276 2.836 20 5 BFBDRN CC[C@H]1CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000292433268 385699526 /nfs/dbraw/zinc/69/95/26/385699526.db2.gz XQISDTDTDRCIRD-QMMMGPOBSA-N 0 0 241.678 2.632 20 5 BFBDRN CCc1ccc(CCn2cnc([N+](=O)[O-])c2)cc1 ZINC000265171971 385702043 /nfs/dbraw/zinc/70/20/43/385702043.db2.gz OGGVGOLONOLZNF-UHFFFAOYSA-N 0 0 245.282 2.596 20 5 BFBDRN Cc1ncc(CNc2cc(C)ccc2[N+](=O)[O-])o1 ZINC000398027033 385734804 /nfs/dbraw/zinc/73/48/04/385734804.db2.gz YZANDALZTCZHJJ-UHFFFAOYSA-N 0 0 247.254 2.812 20 5 BFBDRN Cc1cn(CCc2ccc(C)cc2)nc1[N+](=O)[O-] ZINC000282266375 385746376 /nfs/dbraw/zinc/74/63/76/385746376.db2.gz OEEOTPUQWCGDFO-UHFFFAOYSA-N 0 0 245.282 2.651 20 5 BFBDRN C[C@@H]1C[C@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000052290950 385721713 /nfs/dbraw/zinc/72/17/13/385721713.db2.gz LVYUJBZVHLYHTD-PRHODGIISA-N 0 0 243.266 2.963 20 5 BFBDRN C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1ccon1 ZINC000341925091 385840776 /nfs/dbraw/zinc/84/07/76/385840776.db2.gz GPYWANDXVUPLFZ-QMMMGPOBSA-N 0 0 233.227 2.756 20 5 BFBDRN CC[C@H](O)CCCNc1ccc([N+](=O)[O-])s1 ZINC000309520827 386050570 /nfs/dbraw/zinc/05/05/70/386050570.db2.gz CBACCVSZXNOYIH-QMMMGPOBSA-N 0 0 244.316 2.619 20 5 BFBDRN CC[C@@H](C)CON=c1[nH]ccc(C)c1[N+](=O)[O-] ZINC000291837923 386054817 /nfs/dbraw/zinc/05/48/17/386054817.db2.gz LOGVJIIGYPEQNB-MRVPVSSYSA-N 0 0 239.275 2.688 20 5 BFBDRN Cc1ccc(S[C@H](C)[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000229328467 386167377 /nfs/dbraw/zinc/16/73/77/386167377.db2.gz JEHVSEXYQBLKSC-RKDXNWHRSA-N 0 0 241.312 2.765 20 5 BFBDRN Cc1ccoc1CNc1ncc(C)cc1[N+](=O)[O-] ZINC000291975762 386408555 /nfs/dbraw/zinc/40/85/55/386408555.db2.gz WOCIWWNJAXGJQM-UHFFFAOYSA-N 0 0 247.254 2.812 20 5 BFBDRN CN(CCF)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000266863568 386416315 /nfs/dbraw/zinc/41/63/15/386416315.db2.gz HTLQJRQGPHGLTK-UHFFFAOYSA-N 0 0 246.669 2.650 20 5 BFBDRN C[C@H]1CC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000345081954 386496285 /nfs/dbraw/zinc/49/62/85/386496285.db2.gz ZNCJONWYRMLGGC-VHSXEESVSA-N 0 0 248.282 2.970 20 5 BFBDRN O=C(C=C1CCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000087060755 386578969 /nfs/dbraw/zinc/57/89/69/386578969.db2.gz KUPQULSGDIQJGD-UHFFFAOYSA-N 0 0 232.239 2.644 20 5 BFBDRN CC(C)[C@@]1(C)C[C@@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000397289454 386579383 /nfs/dbraw/zinc/57/93/83/386579383.db2.gz KRGXBKNRVZEQKW-CMPLNLGQSA-N 0 0 235.287 2.836 20 5 BFBDRN CC(C)CCCNc1ccc([N+](=O)[O-])cn1 ZINC000037984148 386594206 /nfs/dbraw/zinc/59/42/06/386594206.db2.gz NOCWFAICRQWYML-UHFFFAOYSA-N 0 0 223.276 2.838 20 5 BFBDRN CC1(C(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 ZINC000267476217 386545468 /nfs/dbraw/zinc/54/54/68/386545468.db2.gz RYYZIXRNIGJMPX-UHFFFAOYSA-N 0 0 234.255 2.724 20 5 BFBDRN Cc1cnc(N2CC(C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000343247295 386637100 /nfs/dbraw/zinc/63/71/00/386637100.db2.gz GXEIGLYBUQJURA-UHFFFAOYSA-N 0 0 247.298 2.535 20 5 BFBDRN CS[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000294958430 386761382 /nfs/dbraw/zinc/76/13/82/386761382.db2.gz JRMNMVGGGFDTAK-NSHDSACASA-N 0 0 238.312 2.537 20 5 BFBDRN O=[N+]([O-])c1ccc(NCCC2(F)CCC2)cn1 ZINC000340881075 386796637 /nfs/dbraw/zinc/79/66/37/386796637.db2.gz RJIQIJSNMJTKQN-UHFFFAOYSA-N 0 0 239.250 2.684 20 5 BFBDRN CC[C@H]1CCN(c2ncc(C)cc2[N+](=O)[O-])C1 ZINC000268048303 386820622 /nfs/dbraw/zinc/82/06/22/386820622.db2.gz RDGKREMGOGKBLW-JTQLQIEISA-N 0 0 235.287 2.535 20 5 BFBDRN O=[N+]([O-])c1ccc(OCC2CC2)cc1F ZINC000087543405 386825818 /nfs/dbraw/zinc/82/58/18/386825818.db2.gz GCAPNQSIJYWCCH-UHFFFAOYSA-N 0 0 211.192 2.523 20 5 BFBDRN CCCCNc1c(F)cccc1[N+](=O)[O-] ZINC000088134576 386839319 /nfs/dbraw/zinc/83/93/19/386839319.db2.gz AYOWMAJKIOBLAW-UHFFFAOYSA-N 0 0 212.224 2.946 20 5 BFBDRN C[C@@H]1CCN(c2cccc(F)c2[N+](=O)[O-])[C@H]1C ZINC000267642371 387040953 /nfs/dbraw/zinc/04/09/53/387040953.db2.gz LBSJXAPJCLSGKY-BDAKNGLRSA-N 0 0 238.262 2.969 20 5 BFBDRN CCCCN(C)c1ccc([N+](=O)[O-])c(C)n1 ZINC000268465262 387019789 /nfs/dbraw/zinc/01/97/89/387019789.db2.gz HZEOJSFJWQUBTO-UHFFFAOYSA-N 0 0 223.276 2.535 20 5 BFBDRN O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CC1)CCC2 ZINC000192590017 387204957 /nfs/dbraw/zinc/20/49/57/387204957.db2.gz LQDWJCVIFCLUAD-CYBMUJFWSA-N 0 0 232.283 2.724 20 5 BFBDRN Cc1nc(NCC2(C)CC2)ccc1[N+](=O)[O-] ZINC000230186064 387243019 /nfs/dbraw/zinc/24/30/19/387243019.db2.gz DYWYUYKUEGUSST-UHFFFAOYSA-N 0 0 221.260 2.510 20 5 BFBDRN O=[N+]([O-])c1cnccc1NCC(C1CC1)C1CC1 ZINC000088460252 387199020 /nfs/dbraw/zinc/19/90/20/387199020.db2.gz UAHSMGHJBCXQAI-UHFFFAOYSA-N 0 0 247.298 2.838 20 5 BFBDRN CC[C@@H](F)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000440591727 387364354 /nfs/dbraw/zinc/36/43/54/387364354.db2.gz BTWJYOCPQJUGQC-MRVPVSSYSA-N 0 0 243.234 2.730 20 5 BFBDRN Cc1ccc(OCC(=O)C2CCC2)c([N+](=O)[O-])c1 ZINC000278291953 387379866 /nfs/dbraw/zinc/37/98/66/387379866.db2.gz ZSIAWEXNVJKTLT-UHFFFAOYSA-N 0 0 249.266 2.651 20 5 BFBDRN CC[C@H](F)COc1cc([N+](=O)[O-])ccc1OC ZINC000440577719 387344961 /nfs/dbraw/zinc/34/49/61/387344961.db2.gz MJDHQASUCHDOHG-QMMMGPOBSA-N 0 0 243.234 2.730 20 5 BFBDRN Nc1ccc([N+](=O)[O-])c(NC2CCCC2)c1 ZINC000192762111 387430465 /nfs/dbraw/zinc/43/04/65/387430465.db2.gz HLVKGDVEYOGCMG-UHFFFAOYSA-N 0 0 221.260 2.532 20 5 BFBDRN C[C@@H](CC(C)(C)O)Nc1ccc([N+](=O)[O-])cc1 ZINC000294908304 387400785 /nfs/dbraw/zinc/40/07/85/387400785.db2.gz FLBUVYJOCCASFH-VIFPVBQESA-N 0 0 238.287 2.556 20 5 BFBDRN CC/C=C/CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000295905923 387489487 /nfs/dbraw/zinc/48/94/87/387489487.db2.gz HGLXOLSFWDITFS-SNAWJCMRSA-N 0 0 248.282 2.599 20 5 BFBDRN CSCc1ccc(F)cc1[N+](=O)[O-] ZINC000520429919 387779753 /nfs/dbraw/zinc/77/97/53/387779753.db2.gz VJHWNOHHCQBABW-UHFFFAOYSA-N 0 0 201.222 2.597 20 5 BFBDRN CC(C)C[C@H](C)Oc1cccnc1[N+](=O)[O-] ZINC000296314061 387794049 /nfs/dbraw/zinc/79/40/49/387794049.db2.gz NVQRQZURSKHANV-VIFPVBQESA-N 0 0 224.260 2.803 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2C[C@H]2C)n1 ZINC000359088430 177877090 /nfs/dbraw/zinc/87/70/90/177877090.db2.gz ZDHUANJZNYFLGG-GMSGAONNSA-N 0 0 235.287 2.675 20 5 BFBDRN CCOCCNc1ccc([N+](=O)[O-])cc1Cl ZINC000036230051 387887112 /nfs/dbraw/zinc/88/71/12/387887112.db2.gz JXZCRINETWCNNR-UHFFFAOYSA-N 0 0 244.678 2.697 20 5 BFBDRN CCC1(NC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000296414035 387967803 /nfs/dbraw/zinc/96/78/03/387967803.db2.gz VIAYJMOCCGFRFZ-UHFFFAOYSA-N 0 0 249.270 2.659 20 5 BFBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@@H]1C ZINC000589808200 388117481 /nfs/dbraw/zinc/11/74/81/388117481.db2.gz JRAOGLOCGGWZCP-GZMMTYOYSA-N 0 0 248.282 2.752 20 5 BFBDRN O=[N+]([O-])c1ccc(OCCCCCCO)cc1 ZINC000169608848 388122407 /nfs/dbraw/zinc/12/24/07/388122407.db2.gz NXEVOGKZERRVPV-UHFFFAOYSA-N 0 0 239.271 2.526 20 5 BFBDRN CCN(CCSC)c1ccccc1[N+](=O)[O-] ZINC000592000410 388145234 /nfs/dbraw/zinc/14/52/34/388145234.db2.gz LOABIPMWBAYRIA-UHFFFAOYSA-N 0 0 240.328 2.784 20 5 BFBDRN C[C@@H]1CC[C@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC000309305742 256524554 /nfs/dbraw/zinc/52/45/54/256524554.db2.gz NBFLGZDQMVMCID-VXNVDRBHSA-N 0 0 224.235 2.944 20 5 BFBDRN Nc1ccc([N+](=O)[O-])c(NC[C@H]2CC=CCC2)c1 ZINC000193396015 388346507 /nfs/dbraw/zinc/34/65/07/388346507.db2.gz WRGLACPRVCFYFU-JTQLQIEISA-N 0 0 247.298 2.945 20 5 BFBDRN O=[N+]([O-])c1ccc2c(c1NCCC1CC1)CCN2 ZINC000302881768 388346562 /nfs/dbraw/zinc/34/65/62/388346562.db2.gz JHKBMARKBMUJDU-UHFFFAOYSA-N 0 0 247.298 2.775 20 5 BFBDRN Cc1c(NC(=O)/C=C\C2CC2)cccc1[N+](=O)[O-] ZINC000491937799 388352385 /nfs/dbraw/zinc/35/23/85/388352385.db2.gz JFNGQVMBTXROHN-FPLPWBNLSA-N 0 0 246.266 2.808 20 5 BFBDRN C[C@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CC[C@@H]1C ZINC000193491544 388357922 /nfs/dbraw/zinc/35/79/22/388357922.db2.gz XTLVPAFXQISLQO-UWVGGRQHSA-N 0 0 249.314 2.659 20 5 BFBDRN COc1cccc([N+](=O)[O-])c1N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000594585904 388359240 /nfs/dbraw/zinc/35/92/40/388359240.db2.gz HVXUCMZXOROXEH-ILWJIGKKSA-N 0 0 248.282 2.814 20 5 BFBDRN C[C@@H]1OCC[C@@]1(C)Nc1ccccc1[N+](=O)[O-] ZINC000230099240 388360372 /nfs/dbraw/zinc/36/03/72/388360372.db2.gz GPVYBYUZYIJCAC-JOYOIKCWSA-N 0 0 236.271 2.574 20 5 BFBDRN O=[N+]([O-])c1ccccc1N[C@@H]1CCO[C@H]1C1CC1 ZINC000230308872 388366036 /nfs/dbraw/zinc/36/60/36/388366036.db2.gz IJXQAXGDEBEHFR-YPMHNXCESA-N 0 0 248.282 2.574 20 5 BFBDRN O=[N+]([O-])c1cccc2c1ccn2C[C@@H]1CCOC1 ZINC000305133422 388366229 /nfs/dbraw/zinc/36/62/29/388366229.db2.gz PYLNENNWLUQTRH-JTQLQIEISA-N 0 0 246.266 2.586 20 5 BFBDRN CC1(C)C[C@@H]1Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000094771859 388372503 /nfs/dbraw/zinc/37/25/03/388372503.db2.gz YQYZHGHXPOQCEH-JTQLQIEISA-N 0 0 246.270 2.682 20 5 BFBDRN Cc1c(NC(=O)C[C@@H]2C[C@H]2C)cccc1[N+](=O)[O-] ZINC000355026023 388384207 /nfs/dbraw/zinc/38/42/07/388384207.db2.gz LBKDGBOEKPFINA-SCZZXKLOSA-N 0 0 248.282 2.888 20 5 BFBDRN Cc1noc(CNc2ccccc2C)c1[N+](=O)[O-] ZINC000596027407 388400477 /nfs/dbraw/zinc/40/04/77/388400477.db2.gz BCUKXJWEZZGLFB-UHFFFAOYSA-N 0 0 247.254 2.812 20 5 BFBDRN CC(C)CCN(C)c1ncc([N+](=O)[O-])s1 ZINC000195510125 388475079 /nfs/dbraw/zinc/47/50/79/388475079.db2.gz PQAVOOJMSVUKJU-UHFFFAOYSA-N 0 0 229.305 2.534 20 5 BFBDRN Cc1cc(N[C@@H](C)C[C@H](C)O)c([N+](=O)[O-])s1 ZINC000596190750 388407526 /nfs/dbraw/zinc/40/75/26/388407526.db2.gz YDGJQXUKFJOIDW-BQBZGAKWSA-N 0 0 244.316 2.536 20 5 BFBDRN C/C=C(\C)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271861323 388409522 /nfs/dbraw/zinc/40/95/22/388409522.db2.gz YVYQYACEBBBPOD-LLGDCAAFSA-N 0 0 248.282 2.738 20 5 BFBDRN Cc1cc(N2CC[C@@H]2C(F)F)ccc1[N+](=O)[O-] ZINC000596248954 388410533 /nfs/dbraw/zinc/41/05/33/388410533.db2.gz OKMAHQWFHWNODP-SNVBAGLBSA-N 0 0 242.225 2.747 20 5 BFBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C ZINC000173150755 388414301 /nfs/dbraw/zinc/41/43/01/388414301.db2.gz NTWNLPHPDFRSME-JTQLQIEISA-N 0 0 248.282 2.528 20 5 BFBDRN O=[N+]([O-])c1cccc(F)c1OCc1cccnc1 ZINC000193713927 388415891 /nfs/dbraw/zinc/41/58/91/388415891.db2.gz JVNIJNCFJPDUDV-UHFFFAOYSA-N 0 0 248.213 2.708 20 5 BFBDRN CN(CC1CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000301095230 388419507 /nfs/dbraw/zinc/41/95/07/388419507.db2.gz OFCDKVPBJTZLKZ-UHFFFAOYSA-N 0 0 224.235 2.580 20 5 BFBDRN CC[C@H]1CCN1C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000297898339 388548096 /nfs/dbraw/zinc/54/80/96/388548096.db2.gz QVYIPOURLXKDBQ-JTQLQIEISA-N 0 0 248.282 2.528 20 5 BFBDRN Cc1ccc(N2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000301461736 388590874 /nfs/dbraw/zinc/59/08/74/388590874.db2.gz ZTJWEHSYTDBQPR-SNVBAGLBSA-N 0 0 220.272 2.749 20 5 BFBDRN C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)[C@H]1C ZINC000301487971 388594242 /nfs/dbraw/zinc/59/42/42/388594242.db2.gz IVBXBMLUTBQQHW-BDAKNGLRSA-N 0 0 238.262 2.969 20 5 BFBDRN CC/C(C)=C/C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000253464424 388596567 /nfs/dbraw/zinc/59/65/67/388596567.db2.gz RJRWCVSNSFGGRY-VQHVLOKHSA-N 0 0 234.255 2.890 20 5 BFBDRN CN(CC1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000301275348 388575129 /nfs/dbraw/zinc/57/51/29/388575129.db2.gz RVCMYRFVHXNADE-UHFFFAOYSA-N 0 0 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CCC(C)(C)CCn1cccc([N+](=O)[O-])c1=O ZINC000361443644 168277986 /nfs/dbraw/zinc/27/79/86/168277986.db2.gz UACZMGGBMJKPEE-UHFFFAOYSA-N 0 0 238.287 2.583 20 5 BFBDRN CCC(C)(C)Nc1ncccc1[N+](=O)[O-] ZINC000072751702 168302805 /nfs/dbraw/zinc/30/28/05/168302805.db2.gz AKNRKHCMBNBQCO-UHFFFAOYSA-N 0 0 209.249 2.590 20 5 BFBDRN Cc1cc(C)c(OC(=O)CC2CC2)c([N+](=O)[O-])c1 ZINC000298265245 411437457 /nfs/dbraw/zinc/43/74/57/411437457.db2.gz AJKXNZCODXQFSS-UHFFFAOYSA-N 0 0 249.266 2.917 20 5 BFBDRN CCN(c1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000112965004 169941977 /nfs/dbraw/zinc/94/19/77/169941977.db2.gz SPFGFGQTIMCFJI-UHFFFAOYSA-N 0 0 226.251 2.969 20 5 BFBDRN CCNc1cc(Br)cc([N+](=O)[O-])c1 ZINC000306268060 170171099 /nfs/dbraw/zinc/17/10/99/170171099.db2.gz IOKOGCZZBGQGNG-UHFFFAOYSA-N 0 0 245.076 2.789 20 5 BFBDRN CCOCCOc1ccc([N+](=O)[O-])cc1Cl ZINC000194585087 170423134 /nfs/dbraw/zinc/42/31/34/170423134.db2.gz KXDUJCKVNDZVPX-UHFFFAOYSA-N 0 0 245.662 2.664 20 5 BFBDRN CC[C@@H]1CCN1C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000297898341 171020865 /nfs/dbraw/zinc/02/08/65/171020865.db2.gz QVYIPOURLXKDBQ-SNVBAGLBSA-N 0 0 248.282 2.528 20 5 BFBDRN CC[C@@H]1C[C@@H]1Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000227285665 171124358 /nfs/dbraw/zinc/12/43/58/171124358.db2.gz OGBBSJDHDPKWOT-SVRRBLITSA-N 0 0 241.678 2.854 20 5 BFBDRN CC[C@@H]1C[C@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000280530511 171138310 /nfs/dbraw/zinc/13/83/10/171138310.db2.gz BVPKRACHPRGQTJ-LDYMZIIASA-N 0 0 249.270 2.515 20 5 BFBDRN CC[C@@H]1C[C@H]1Nc1ncc([N+](=O)[O-])cc1C ZINC000227016119 171142000 /nfs/dbraw/zinc/14/20/00/171142000.db2.gz HXOISMUGMZKVIC-PSASIEDQSA-N 0 0 221.260 2.509 20 5 BFBDRN CC[C@@H]1C[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000227013989 171142653 /nfs/dbraw/zinc/14/26/53/171142653.db2.gz KVXWCLFYAHENDM-LDYMZIIASA-N 0 0 206.245 2.805 20 5 BFBDRN CC[C@H](C)N(C)c1ccc([N+](=O)[O-])cc1F ZINC000301613224 171309550 /nfs/dbraw/zinc/30/95/50/171309550.db2.gz HABZNDYCIAYNMF-QMMMGPOBSA-N 0 0 226.251 2.969 20 5 BFBDRN CC[C@H](C)N(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000301612076 171310189 /nfs/dbraw/zinc/31/01/89/171310189.db2.gz FNCBBELRQSCQLZ-QMMMGPOBSA-N 0 0 226.251 2.969 20 5 BFBDRN CC[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000072537548 171331077 /nfs/dbraw/zinc/33/10/77/171331077.db2.gz OUBBZTWDUNYWQB-QMMMGPOBSA-N 0 0 237.259 2.515 20 5 BFBDRN CC[C@H](C)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000161490142 171349505 /nfs/dbraw/zinc/34/95/05/171349505.db2.gz ZTPDFYVTMUCSCF-ZETCQYMHSA-N 0 0 209.249 2.509 20 5 BFBDRN CC[C@H](C)Nc1ccc([N+](=O)[O-])c(OC)c1 ZINC000082523332 171349932 /nfs/dbraw/zinc/34/99/32/171349932.db2.gz YZKLCWIFZYEDQH-QMMMGPOBSA-N 0 0 224.260 2.814 20 5 BFBDRN CC[C@H](C)Sc1ccc([N+](=O)[O-])cn1 ZINC000330535947 171357253 /nfs/dbraw/zinc/35/72/53/171357253.db2.gz DUSYGLGGQZKCTN-ZETCQYMHSA-N 0 0 212.274 2.880 20 5 BFBDRN CC[C@H](C)[C@@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000189684314 171367624 /nfs/dbraw/zinc/36/76/24/171367624.db2.gz QYLMIRXOCRPIBG-NKWVEPMBSA-N 0 0 229.305 2.898 20 5 BFBDRN CC[C@H]1C[C@H]1Nc1ncc([N+](=O)[O-])cc1Cl ZINC000227652487 171680636 /nfs/dbraw/zinc/68/06/36/171680636.db2.gz CIKCMLKPHWEQPT-IMTBSYHQSA-N 0 0 241.678 2.854 20 5 BFBDRN CC[C@H]1[C@@H](C)CCN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000274745476 171685429 /nfs/dbraw/zinc/68/54/29/171685429.db2.gz OJWVCRPEWGTPGV-ONGXEEELSA-N 0 0 249.314 2.923 20 5 BFBDRN CCn1c(C)nc([N+](=O)[O-])c1NC(C)(C)CC ZINC000288087640 172137457 /nfs/dbraw/zinc/13/74/57/172137457.db2.gz IKWOYYSFYZLXBW-UHFFFAOYSA-N 0 0 240.307 2.720 20 5 BFBDRN CN(C(=O)C1CC=CC1)c1cccc([N+](=O)[O-])c1 ZINC000158505155 172298682 /nfs/dbraw/zinc/29/86/82/172298682.db2.gz XCQYMJXIRHZYFU-UHFFFAOYSA-N 0 0 246.266 2.524 20 5 BFBDRN CN(C(=O)[C@@H]1CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000158593284 172325251 /nfs/dbraw/zinc/32/52/51/172325251.db2.gz BAWCCCXIZFPOMI-NSHDSACASA-N 0 0 248.282 2.604 20 5 BFBDRN COc1cc(NC2CCCC2)ccc1[N+](=O)[O-] ZINC000111045476 175001951 /nfs/dbraw/zinc/00/19/51/175001951.db2.gz HPONQCADLQQBPI-UHFFFAOYSA-N 0 0 236.271 2.958 20 5 BFBDRN COc1cc(N[C@H](C)C2CC2)ccc1[N+](=O)[O-] ZINC000111046434 175004071 /nfs/dbraw/zinc/00/40/71/175004071.db2.gz YPMLAPRHEVZYKZ-MRVPVSSYSA-N 0 0 236.271 2.814 20 5 BFBDRN COc1cc([N+](=O)[O-])ccc1OCC=C(C)C ZINC000340677448 175018140 /nfs/dbraw/zinc/01/81/40/175018140.db2.gz ZJADAVSTYRZXFO-UHFFFAOYSA-N 0 0 237.255 2.948 20 5 BFBDRN COc1ccc(OCCC2CC2)c([N+](=O)[O-])c1 ZINC000340643358 175171747 /nfs/dbraw/zinc/17/17/47/175171747.db2.gz RWPJGJMFDKKYBJ-UHFFFAOYSA-N 0 0 237.255 2.782 20 5 BFBDRN COc1cccc(NC2CCCC2)c1[N+](=O)[O-] ZINC000134900575 175278139 /nfs/dbraw/zinc/27/81/39/175278139.db2.gz MFLNUVNKODLDIG-UHFFFAOYSA-N 0 0 236.271 2.958 20 5 BFBDRN COc1ccccc1Oc1ccc([N+](=O)[O-])nc1 ZINC000339965419 175342458 /nfs/dbraw/zinc/34/24/58/175342458.db2.gz PDLFPNAEABALKZ-UHFFFAOYSA-N 0 0 246.222 2.791 20 5 BFBDRN COc1ccccc1Oc1ncccc1[N+](=O)[O-] ZINC000007185693 175342877 /nfs/dbraw/zinc/34/28/77/175342877.db2.gz UPWWIVIISJKOKF-UHFFFAOYSA-N 0 0 246.222 2.791 20 5 BFBDRN CSCCCCNc1ncccc1[N+](=O)[O-] ZINC000124697525 175475647 /nfs/dbraw/zinc/47/56/47/175475647.db2.gz BIUBAGZPJHGBEW-UHFFFAOYSA-N 0 0 241.316 2.545 20 5 BFBDRN CSCCCNc1ccc([N+](=O)[O-])cc1F ZINC000043473910 175488236 /nfs/dbraw/zinc/48/82/36/175488236.db2.gz JZZZHBVYILPZFT-UHFFFAOYSA-N 0 0 244.291 2.899 20 5 BFBDRN CSC[C@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000124725305 175525005 /nfs/dbraw/zinc/52/50/05/175525005.db2.gz MSAWZFNURPPTAO-ZETCQYMHSA-N 0 0 244.291 2.897 20 5 BFBDRN CS[C@@H](C)CNc1ccc([N+](=O)[O-])cc1F ZINC000128842210 175545370 /nfs/dbraw/zinc/54/53/70/175545370.db2.gz HBMAWNUOVZEWHH-ZETCQYMHSA-N 0 0 244.291 2.897 20 5 BFBDRN CS[C@@H](C)CNc1ccccc1[N+](=O)[O-] ZINC000124189976 175546010 /nfs/dbraw/zinc/54/60/10/175546010.db2.gz WSHOQMDUWPYXRE-QMMMGPOBSA-N 0 0 226.301 2.758 20 5 BFBDRN C[C@@H]1CCCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000302479223 176066178 /nfs/dbraw/zinc/06/61/78/176066178.db2.gz XQOUTAHSDXNVKC-SNVBAGLBSA-N 0 0 235.287 2.616 20 5 BFBDRN C[C@@H]1CCCC[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000020549768 176089202 /nfs/dbraw/zinc/08/92/02/176089202.db2.gz HOCLNGADMRVONQ-NXEZZACHSA-N 0 0 235.287 2.980 20 5 BFBDRN C[C@@H]1CCCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000192786134 176102954 /nfs/dbraw/zinc/10/29/54/176102954.db2.gz MOBITADMDMIIGS-SNVBAGLBSA-N 0 0 249.314 2.803 20 5 BFBDRN C[C@@H]1CCCN1c1c(F)cccc1[N+](=O)[O-] ZINC000288491876 176112037 /nfs/dbraw/zinc/11/20/37/176112037.db2.gz RQQLCNPULXTFSW-MRVPVSSYSA-N 0 0 224.235 2.723 20 5 BFBDRN C[C@@H]1CCC[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000037251592 176145795 /nfs/dbraw/zinc/14/57/95/176145795.db2.gz LXOZNEOCJCBTIM-ZJUUUORDSA-N 0 0 235.287 2.980 20 5 BFBDRN C[C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000301760108 176181304 /nfs/dbraw/zinc/18/13/04/176181304.db2.gz CAJCKDPOXIRPGY-MNOVXSKESA-N 0 0 249.314 2.862 20 5 BFBDRN C[C@@H]1C[C@H](C)CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000301787365 176182432 /nfs/dbraw/zinc/18/24/32/176182432.db2.gz WZRDQVMYMNXXRG-GHMZBOCLSA-N 0 0 249.314 2.862 20 5 BFBDRN C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000129643822 176234982 /nfs/dbraw/zinc/23/49/82/176234982.db2.gz YECQUOAIYQDFLA-BDAKNGLRSA-N 0 0 221.260 2.590 20 5 BFBDRN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1C ZINC000292884573 176305052 /nfs/dbraw/zinc/30/50/52/176305052.db2.gz CJIYRKLXFJLJEM-RKDXNWHRSA-N 0 0 238.262 2.574 20 5 BFBDRN C[C@@H]1C[C@@H]1CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000361460375 176391056 /nfs/dbraw/zinc/39/10/56/176391056.db2.gz WJVPPVZVTNIVIQ-RKDXNWHRSA-N 0 0 234.255 2.579 20 5 BFBDRN C[C@H](NCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000277114086 176875684 /nfs/dbraw/zinc/87/56/84/176875684.db2.gz MUNWTIUEKRSRLG-ZETCQYMHSA-N 0 0 248.204 2.635 20 5 BFBDRN C[C@@H](Sc1ccc(F)cc1[N+](=O)[O-])[C@H](C)O ZINC000078582155 177006121 /nfs/dbraw/zinc/00/61/21/177006121.db2.gz SVWGRSUZFXELDT-NKWVEPMBSA-N 0 0 245.275 2.595 20 5 BFBDRN C[C@H]1CCCN(c2sccc2[N+](=O)[O-])C1 ZINC000301941323 177105250 /nfs/dbraw/zinc/10/52/50/177105250.db2.gz VRGHTUVYZNXNMG-QMMMGPOBSA-N 0 0 226.301 2.893 20 5 BFBDRN C[C@H]1CCCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000172811195 177111715 /nfs/dbraw/zinc/11/17/15/177111715.db2.gz MUOQKSJUYLFONS-QMMMGPOBSA-N 0 0 224.235 2.723 20 5 BFBDRN C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)[C@H]1C ZINC000301487973 177171236 /nfs/dbraw/zinc/17/12/36/177171236.db2.gz IVBXBMLUTBQQHW-IUCAKERBSA-N 0 0 238.262 2.969 20 5 BFBDRN C[C@@H]1[C@@H](C)CCN1c1cccc(F)c1[N+](=O)[O-] ZINC000267642374 177171421 /nfs/dbraw/zinc/17/14/21/177171421.db2.gz LBSJXAPJCLSGKY-DTWKUNHWSA-N 0 0 238.262 2.969 20 5 BFBDRN C[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000129644046 177205100 /nfs/dbraw/zinc/20/51/00/177205100.db2.gz YECQUOAIYQDFLA-IUCAKERBSA-N 0 0 221.260 2.590 20 5 BFBDRN C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1C ZINC000293535512 177263054 /nfs/dbraw/zinc/26/30/54/177263054.db2.gz XJUBDQYQPZJZCM-IUCAKERBSA-N 0 0 238.262 2.574 20 5 BFBDRN Cc1cnc(N2CC[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000267639171 487936397 /nfs/dbraw/zinc/93/63/97/487936397.db2.gz KRXBXUSLSXPXNT-NXEZZACHSA-N 0 0 235.287 2.533 20 5 BFBDRN Cc1nc(COc2ccc(C)cc2[N+](=O)[O-])co1 ZINC000562439933 323019943 /nfs/dbraw/zinc/01/99/43/323019943.db2.gz GKVYIDKJYSDRTR-UHFFFAOYSA-N 0 0 248.238 2.779 20 5 BFBDRN CC[C@]1(C)C[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000159861874 323051107 /nfs/dbraw/zinc/05/11/07/323051107.db2.gz QWHPLCGFYYOGSY-WCQYABFASA-N 0 0 248.282 2.970 20 5 BFBDRN C[C@H]1CCCC[C@H]1Cn1cnc([N+](=O)[O-])c1 ZINC000571939704 323510232 /nfs/dbraw/zinc/51/02/32/323510232.db2.gz OLYSJLYJTBUMHC-UWVGGRQHSA-N 0 0 223.276 2.618 20 5 BFBDRN C[C@@H]1CCCC[C@H]1Cn1nccc1[N+](=O)[O-] ZINC000571939359 323510358 /nfs/dbraw/zinc/51/03/58/323510358.db2.gz KYYFIMHDEUZPII-ZJUUUORDSA-N 0 0 223.276 2.618 20 5 BFBDRN O=c1[nH]c(C2CC2)nc2cc3ccccc3cc21 ZINC000060639230 324048097 /nfs/dbraw/zinc/04/80/97/324048097.db2.gz JNQKEERDIPISJY-UHFFFAOYSA-N 0 0 236.274 2.954 20 5 BFBDRN Cc1ncc(CNc2ccc([N+](=O)[O-])c(C)c2)o1 ZINC000398010968 324216080 /nfs/dbraw/zinc/21/60/80/324216080.db2.gz MIOCLBNQBINERX-UHFFFAOYSA-N 0 0 247.254 2.812 20 5 BFBDRN Cc1ccc(OCc2ccccn2)cc1[N+](=O)[O-] ZINC000131566286 325164411 /nfs/dbraw/zinc/16/44/11/325164411.db2.gz JJMNGTRITOIZBO-UHFFFAOYSA-N 0 0 244.250 2.877 20 5 BFBDRN C[C@H]1C[C@H]1c1noc(-c2ccccc2[N+](=O)[O-])n1 ZINC000545767374 325235357 /nfs/dbraw/zinc/23/53/57/325235357.db2.gz CAXASZFGQYJGJA-IONNQARKSA-N 0 0 245.238 2.768 20 5 BFBDRN C[C@@H]1C[C@@H]1c1noc(-c2ccccc2[N+](=O)[O-])n1 ZINC000545767367 325236278 /nfs/dbraw/zinc/23/62/78/325236278.db2.gz CAXASZFGQYJGJA-APPZFPTMSA-N 0 0 245.238 2.768 20 5 BFBDRN CCOC[C@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000134587672 325366129 /nfs/dbraw/zinc/36/61/29/325366129.db2.gz SFOPNFGMHXVRFE-QMMMGPOBSA-N 0 0 242.250 2.571 20 5 BFBDRN CCc1ccc(Oc2cccnn2)c([N+](=O)[O-])c1 ZINC000553106169 325677048 /nfs/dbraw/zinc/67/70/48/325677048.db2.gz SSHRAQJOUJQVPN-UHFFFAOYSA-N 0 0 245.238 2.740 20 5 BFBDRN O=[N+]([O-])c1ccccc1NC1(CF)CCC1 ZINC000566162730 326005144 /nfs/dbraw/zinc/00/51/44/326005144.db2.gz YMAZWVJAEHHUMD-UHFFFAOYSA-N 0 0 224.235 2.899 20 5 BFBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)C1=CCCC1 ZINC000159241223 326392012 /nfs/dbraw/zinc/39/20/12/326392012.db2.gz XQYJOTAEZDIGAB-UHFFFAOYSA-N 0 0 232.239 2.644 20 5 BFBDRN C[C@H]1CC(C)(C)CN1c1ccc([N+](=O)[O-])cn1 ZINC000569210244 326395185 /nfs/dbraw/zinc/39/51/85/326395185.db2.gz JMVCPXIOIQZVPI-VIFPVBQESA-N 0 0 235.287 2.615 20 5 BFBDRN C[C@@H](NCC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000147297163 487998558 /nfs/dbraw/zinc/99/85/58/487998558.db2.gz ONOGTWPVNGJMAF-SSDOTTSWSA-N 0 0 230.214 2.511 20 5 BFBDRN O=[N+]([O-])c1cc(CNC2(CF)CCC2)cs1 ZINC000517935052 488053032 /nfs/dbraw/zinc/05/30/32/488053032.db2.gz LRHQIKSMAPSNOH-UHFFFAOYSA-N 0 0 244.291 2.638 20 5 BFBDRN C[C@H]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000157370833 488117916 /nfs/dbraw/zinc/11/79/16/488117916.db2.gz YEBTWQWFZUFORN-ONGXEEELSA-N 0 0 248.282 2.513 20 5 BFBDRN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1C ZINC000293533888 490268934 /nfs/dbraw/zinc/26/89/34/490268934.db2.gz XJUBDQYQPZJZCM-BDAKNGLRSA-N 0 0 238.262 2.574 20 5 BFBDRN CC[C@@H](C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000133101001 491105682 /nfs/dbraw/zinc/10/56/82/491105682.db2.gz KFNOSHYJMYOEAV-SECBINFHSA-N 0 0 237.255 2.589 20 5 BFBDRN C[C@@H]1C[C@@H](C)N1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000334619065 518180479 /nfs/dbraw/zinc/18/04/79/518180479.db2.gz LTQPAEZEUSMFNP-RKDXNWHRSA-N 0 0 249.270 2.609 20 5 BFBDRN CC[C@@H]1CCCN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000348166151 535820830 /nfs/dbraw/zinc/82/08/30/535820830.db2.gz FSAHTSBLEDGQQR-SNVBAGLBSA-N 0 0 235.287 2.677 20 5 BFBDRN Cc1ccc(N2C[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000853650997 588752188 /nfs/dbraw/zinc/75/21/88/588752188.db2.gz ZEPPROKCLKLASJ-UWVGGRQHSA-N 0 0 220.272 2.748 20 5 BFBDRN Cc1ccc(N2C[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000853650998 588752221 /nfs/dbraw/zinc/75/22/21/588752221.db2.gz ZEPPROKCLKLASJ-VHSXEESVSA-N 0 0 220.272 2.748 20 5 BFBDRN CC1=C[C@H](C)CN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000804683322 582524226 /nfs/dbraw/zinc/52/42/26/582524226.db2.gz SOMWEGAAHYKPMN-VIFPVBQESA-N 0 0 247.298 2.579 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CCC[C@H](F)C2)c(F)c1 ZINC000804685297 582525110 /nfs/dbraw/zinc/52/51/10/582525110.db2.gz FYVJJEXQFRJSSW-QMMMGPOBSA-N 0 0 242.225 2.672 20 5 BFBDRN Cc1ccc(N2CCC[C@H]3C[C@H]32)c([N+](=O)[O-])c1 ZINC000804784678 582556564 /nfs/dbraw/zinc/55/65/64/582556564.db2.gz REBOVCNRMGGSKN-CMPLNLGQSA-N 0 0 232.283 2.892 20 5 BFBDRN CCCCC[C@H](C)CC(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813115545 582592255 /nfs/dbraw/zinc/59/22/55/582592255.db2.gz UUJXLRLFLZOFEJ-QWRGUYRKSA-N 0 0 245.319 2.801 20 5 BFBDRN Cn1ncc([N+](=O)[O-])c1NCCCC(C)(C)C ZINC000892634276 582934644 /nfs/dbraw/zinc/93/46/44/582934644.db2.gz QJUFIVXUSCTSGZ-UHFFFAOYSA-N 0 0 240.307 2.567 20 5 BFBDRN O=C(OCCC1CCC1)c1ccccc1[N+](=O)[O-] ZINC000783446168 582957586 /nfs/dbraw/zinc/95/75/86/582957586.db2.gz AJDKLRFVCKRAIW-UHFFFAOYSA-N 0 0 249.266 2.942 20 5 BFBDRN CN(c1ccc([N+](=O)[O-])nc1)C(C1CC1)C1CC1 ZINC000344432951 583201276 /nfs/dbraw/zinc/20/12/76/583201276.db2.gz JDFLRNROJUYYPP-UHFFFAOYSA-N 0 0 247.298 2.615 20 5 BFBDRN O=[N+]([O-])c1ccnn1CC[C@@H]1CCCC1(F)F ZINC000882106772 583591789 /nfs/dbraw/zinc/59/17/89/583591789.db2.gz IEWFVNGAHPKTKO-QMMMGPOBSA-N 0 0 245.229 2.617 20 5 BFBDRN C=C/C=C\CCNc1ncc([N+](=O)[O-])cc1OC ZINC000895131787 583601187 /nfs/dbraw/zinc/60/11/87/583601187.db2.gz KYIUHOOCAUKZRB-PLNGDYQASA-N 0 0 249.270 2.543 20 5 BFBDRN CC(C)(/C=C\Cl)Nc1ccc([N+](=O)[O-])nc1 ZINC000895915731 583746161 /nfs/dbraw/zinc/74/61/61/583746161.db2.gz ILQYSVWJBHALSP-WAYWQWQTSA-N 0 0 241.678 2.933 20 5 BFBDRN O=[N+]([O-])c1ncccc1NCCC1CC=CC1 ZINC000896094080 583771685 /nfs/dbraw/zinc/77/16/85/583771685.db2.gz LBXJFKQFQVUJCR-UHFFFAOYSA-N 0 0 233.271 2.758 20 5 BFBDRN CCC[C@H](O)CCNc1ccccc1[N+](=O)[O-] ZINC000896191538 583781721 /nfs/dbraw/zinc/78/17/21/583781721.db2.gz NTPZHJZPQOSDQT-JTQLQIEISA-N 0 0 238.287 2.558 20 5 BFBDRN CSCc1cc(F)ccc1[N+](=O)[O-] ZINC000115930258 588938301 /nfs/dbraw/zinc/93/83/01/588938301.db2.gz ZCORZXRNRMWQOU-UHFFFAOYSA-N 0 0 201.222 2.597 20 5 BFBDRN Cc1nc(N[C@@H]2C[C@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000897179735 583890935 /nfs/dbraw/zinc/89/09/35/583890935.db2.gz KIMNNRHPRBBJCH-GMTAPVOTSA-N 0 0 247.298 2.899 20 5 BFBDRN Cc1nc(N[C@@H]2C[C@@H]3CCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000897179736 583891110 /nfs/dbraw/zinc/89/11/10/583891110.db2.gz KIMNNRHPRBBJCH-HBNTYKKESA-N 0 0 247.298 2.899 20 5 BFBDRN C[C@H](OC(=O)[C@H]1C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000728921461 583936928 /nfs/dbraw/zinc/93/69/28/583936928.db2.gz YJWVWTRZBNHMEW-AUTRQRHGSA-N 0 0 249.266 2.855 20 5 BFBDRN O=[N+]([O-])CCOc1cccc(Cl)c1Cl ZINC000899230424 584182821 /nfs/dbraw/zinc/18/28/21/584182821.db2.gz HBZZHSMGPSKIHQ-UHFFFAOYSA-N 0 0 236.054 2.649 20 5 BFBDRN COc1ccccc1[C@@H](C)SCC[N+](=O)[O-] ZINC000901496809 584454000 /nfs/dbraw/zinc/45/40/00/584454000.db2.gz LBBHKIJVGDPGID-SECBINFHSA-N 0 0 241.312 2.766 20 5 BFBDRN Cc1noc([C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)n1 ZINC000901936176 584506027 /nfs/dbraw/zinc/50/60/27/584506027.db2.gz GCVMDWWYSFFUKF-WDEREUQCSA-N 0 0 245.238 2.557 20 5 BFBDRN Cc1cn(CCCC(C)(F)F)nc1[N+](=O)[O-] ZINC000902371880 584566714 /nfs/dbraw/zinc/56/67/14/584566714.db2.gz FBRMOSMVZRPOQD-UHFFFAOYSA-N 0 0 233.218 2.535 20 5 BFBDRN CCC[C@@H](CC(C)C)C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000835454257 584926009 /nfs/dbraw/zinc/92/60/09/584926009.db2.gz IOJYMAINRZSWBE-MNOVXSKESA-N 0 0 245.319 2.657 20 5 BFBDRN CC(C)CONc1sccc1[N+](=O)[O-] ZINC000788076464 584995134 /nfs/dbraw/zinc/99/51/34/584995134.db2.gz NLWAWYBMALRQIX-UHFFFAOYSA-N 0 0 216.262 2.656 20 5 BFBDRN CC[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])s1 ZINC000738567048 585047385 /nfs/dbraw/zinc/04/73/85/585047385.db2.gz KAAUAKXYQNWZGT-ZCFIWIBFSA-N 0 0 229.257 2.612 20 5 BFBDRN Cc1ccc(OC(=O)CC2(C)CC2)cc1[N+](=O)[O-] ZINC000758875456 585360818 /nfs/dbraw/zinc/36/08/18/585360818.db2.gz RJCUFGVKJHJDQD-UHFFFAOYSA-N 0 0 249.266 2.999 20 5 BFBDRN Cc1cccc([N+](=O)[O-])c1OC(=O)CC1CCC1 ZINC000760015800 585384255 /nfs/dbraw/zinc/38/42/55/585384255.db2.gz IREOVWAPHFMRQP-UHFFFAOYSA-N 0 0 249.266 2.999 20 5 BFBDRN Cc1cccc([N+](=O)[O-])c1OC(=O)CCC1CC1 ZINC000760023552 585384437 /nfs/dbraw/zinc/38/44/37/585384437.db2.gz NXXHYDGPDAETPZ-UHFFFAOYSA-N 0 0 249.266 2.999 20 5 BFBDRN C[C@H](OC(=O)C1(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000760359459 585391594 /nfs/dbraw/zinc/39/15/94/585391594.db2.gz BYGDGAKPGFOPEF-VIFPVBQESA-N 0 0 249.266 2.999 20 5 BFBDRN O=[N+]([O-])c1ccc(NCCc2ccncc2)s1 ZINC000762639662 585434813 /nfs/dbraw/zinc/43/48/13/585434813.db2.gz IYSZASQWBQGWQX-UHFFFAOYSA-N 0 0 249.295 2.706 20 5 BFBDRN CC(C)N(C)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000764111204 585459966 /nfs/dbraw/zinc/45/99/66/585459966.db2.gz KUDARYRBDPLGOX-UHFFFAOYSA-N 0 0 245.282 2.988 20 5 BFBDRN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000764388726 585464706 /nfs/dbraw/zinc/46/47/06/585464706.db2.gz PCOCTCLAROPZFC-ZCFIWIBFSA-N 0 0 241.268 2.612 20 5 BFBDRN C[C@@H](OC(=O)C1(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000764597926 585468695 /nfs/dbraw/zinc/46/86/95/585468695.db2.gz OZRQBCASGAABRZ-SECBINFHSA-N 0 0 249.266 2.999 20 5 BFBDRN CC(C)(C(=O)OC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000783188534 585829575 /nfs/dbraw/zinc/82/95/75/585829575.db2.gz BVOSLXOPKLOJBQ-UHFFFAOYSA-N 0 0 249.266 2.578 20 5 BFBDRN O=C(OC1CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000783198004 585830122 /nfs/dbraw/zinc/83/01/22/585830122.db2.gz HUVVCHBKKOUAES-UHFFFAOYSA-N 0 0 241.630 2.567 20 5 BFBDRN O=C(OCCC1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000783445173 585835386 /nfs/dbraw/zinc/83/53/86/585835386.db2.gz SSSOSFPOENGZNK-UHFFFAOYSA-N 0 0 249.266 2.942 20 5 BFBDRN CCCOC(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000784835267 585866564 /nfs/dbraw/zinc/86/65/64/585866564.db2.gz LAZHUDDRJDOLAP-MDZDMXLPSA-N 0 0 249.266 2.951 20 5 BFBDRN CCON(C)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000788860537 585931510 /nfs/dbraw/zinc/93/15/10/585931510.db2.gz KFFCKKYKSLWKJC-UHFFFAOYSA-N 0 0 247.254 2.531 20 5 BFBDRN C/C=C(/CC)C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000789228302 585937322 /nfs/dbraw/zinc/93/73/22/585937322.db2.gz AVDZTALOFSQTTR-KMKOMSMNSA-N 0 0 249.266 2.994 20 5 BFBDRN C[C@@H](COC(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000789610507 585946586 /nfs/dbraw/zinc/94/65/86/585946586.db2.gz XNPFUXPVEJQDHG-VIFPVBQESA-N 0 0 249.266 2.798 20 5 BFBDRN C[C@@H](CCO)S/C=C\c1ccc([N+](=O)[O-])o1 ZINC000789922166 585952979 /nfs/dbraw/zinc/95/29/79/585952979.db2.gz OVWQTARDGZWYPC-TVSKSKRASA-N 0 0 243.284 2.663 20 5 BFBDRN C[C@H]1C[C@H](C)N1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000791574561 585984307 /nfs/dbraw/zinc/98/43/07/585984307.db2.gz QFQCITSJWVWHJY-IUCAKERBSA-N 0 0 238.262 2.717 20 5 BFBDRN CCC(=O)c1ccc(N2CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000795072247 586067789 /nfs/dbraw/zinc/06/77/89/586067789.db2.gz IKTDMCZQTDNNEH-SECBINFHSA-N 0 0 248.282 2.786 20 5 BFBDRN C[C@H]1C[C@H](C)N1c1ccc([N+](=O)[O-])cc1F ZINC000795193246 586070642 /nfs/dbraw/zinc/07/06/42/586070642.db2.gz HTXQKCNXTWQBHM-YUMQZZPRSA-N 0 0 224.235 2.721 20 5 BFBDRN CC(=O)c1ccc(N2[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000795195703 586071097 /nfs/dbraw/zinc/07/10/97/586071097.db2.gz YGHUEVYONHQDMO-IUCAKERBSA-N 0 0 248.282 2.785 20 5 BFBDRN Cc1ccc(N2[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000795192577 586071357 /nfs/dbraw/zinc/07/13/57/586071357.db2.gz CXIZXXJVOJWNNN-UWVGGRQHSA-N 0 0 220.272 2.890 20 5 BFBDRN O=[N+]([O-])c1ccc2c(c1)CCN2CCCCF ZINC000795252414 586073784 /nfs/dbraw/zinc/07/37/84/586073784.db2.gz KYLYCSPAARDQKI-UHFFFAOYSA-N 0 0 238.262 2.707 20 5 BFBDRN C[C@H]1CC[C@H](Nc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000800868671 586235254 /nfs/dbraw/zinc/23/52/54/586235254.db2.gz IEQJRPFJDFYBEN-WPRPVWTQSA-N 0 0 235.287 2.778 20 5 BFBDRN CC1=C[C@@H](C)CN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000800871045 586235460 /nfs/dbraw/zinc/23/54/60/586235460.db2.gz DYRCQVGHXMTPEK-SECBINFHSA-N 0 0 247.298 2.579 20 5 BFBDRN Cc1cccc([N+](=O)[O-])c1C(=O)OC[C@@H]1C[C@@H]1C ZINC000859462768 589038874 /nfs/dbraw/zinc/03/88/74/589038874.db2.gz TUCBEQYJQXMBNS-UWVGGRQHSA-N 0 0 249.266 2.716 20 5 BFBDRN Cc1ncc([N+](=O)[O-])n1CCSC(C)(C)C ZINC000801657086 586268014 /nfs/dbraw/zinc/26/80/14/586268014.db2.gz GJQMCBQWXKKUPQ-UHFFFAOYSA-N 0 0 243.332 2.631 20 5 BFBDRN CC[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000103664661 586287757 /nfs/dbraw/zinc/28/77/57/586287757.db2.gz DNURHBAHVUMREH-VIFPVBQESA-N 0 0 237.255 2.859 20 5 BFBDRN CC(C)[C@H]1CCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000804541123 586399190 /nfs/dbraw/zinc/39/91/90/586399190.db2.gz OARMHTQZSWNTRY-JTQLQIEISA-N 0 0 249.314 2.659 20 5 BFBDRN C[C@H]1CC[C@H](Nc2ccc(N)cc2[N+](=O)[O-])C1 ZINC000804630639 586404105 /nfs/dbraw/zinc/40/41/05/586404105.db2.gz GOIWMDMMSKBNIB-WPRPVWTQSA-N 0 0 235.287 2.778 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CC(C3CC3)C2)c(F)c1 ZINC000812480798 586578200 /nfs/dbraw/zinc/57/82/00/586578200.db2.gz FPVHJKFMFHWZCX-UHFFFAOYSA-N 0 0 236.246 2.580 20 5 BFBDRN C[C@H](COC(=O)CCC1CCCCC1)[N+](=O)[O-] ZINC000813102386 586591898 /nfs/dbraw/zinc/59/18/98/586591898.db2.gz QUAOSUNKSKHYDH-SNVBAGLBSA-N 0 0 243.303 2.555 20 5 BFBDRN C[C@H](CC(=O)OC[C@H](C)[N+](=O)[O-])CC(C)(C)C ZINC000813107741 586592936 /nfs/dbraw/zinc/59/29/36/586592936.db2.gz VLWJKXOXWOAETJ-ZJUUUORDSA-N 0 0 245.319 2.657 20 5 BFBDRN CCCCCC(C)(C)C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813109491 586593364 /nfs/dbraw/zinc/59/33/64/586593364.db2.gz UKYWVEPFXGVBRC-SNVBAGLBSA-N 0 0 245.319 2.801 20 5 BFBDRN CCCCC[C@@H](CC)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813112253 586593406 /nfs/dbraw/zinc/59/34/06/586593406.db2.gz DRPFVUOFLXBEMR-WDEREUQCSA-N 0 0 245.319 2.801 20 5 BFBDRN CC(C)CCCCCC(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813115793 586594347 /nfs/dbraw/zinc/59/43/47/586594347.db2.gz ZRGPLHSKHVWVTI-NSHDSACASA-N 0 0 245.319 2.801 20 5 BFBDRN CCCCCC[C@@H](C)C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814038378 586612246 /nfs/dbraw/zinc/61/22/46/586612246.db2.gz PFOKXASNHHAZFJ-GHMZBOCLSA-N 0 0 245.319 2.801 20 5 BFBDRN CCCCCC[C@H](C)C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814038382 586612286 /nfs/dbraw/zinc/61/22/86/586612286.db2.gz PFOKXASNHHAZFJ-WDEREUQCSA-N 0 0 245.319 2.801 20 5 BFBDRN C[C@@H](C[N+](=O)[O-])OC(=O)CC1(C)CCCCC1 ZINC000814041338 586612524 /nfs/dbraw/zinc/61/25/24/586612524.db2.gz PEDQUWQOZZJBEZ-JTQLQIEISA-N 0 0 243.303 2.555 20 5 BFBDRN C[C@H](C[N+](=O)[O-])OC(=O)C1(C)CCCCCC1 ZINC000814045728 586613035 /nfs/dbraw/zinc/61/30/35/586613035.db2.gz YJZXWVBAXVWYJR-SNVBAGLBSA-N 0 0 243.303 2.555 20 5 BFBDRN CCSCOc1ccc([N+](=O)[O-])c(F)c1 ZINC000814745173 586631933 /nfs/dbraw/zinc/63/19/33/586631933.db2.gz LBLLVMJHTOVQRA-UHFFFAOYSA-N 0 0 231.248 2.823 20 5 BFBDRN C/C=C\C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000817038557 586779663 /nfs/dbraw/zinc/77/96/63/586779663.db2.gz SYFGJEAFRUPQQY-DAXSKMNVSA-N 0 0 248.282 2.522 20 5 BFBDRN Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@H]1CC12CC2 ZINC000817426817 586804911 /nfs/dbraw/zinc/80/49/11/586804911.db2.gz KIOFKXSSXUTJQB-SNVBAGLBSA-N 0 0 247.250 2.609 20 5 BFBDRN Cc1cccc([N+](=O)[O-])c1OC(=O)[C@H]1CC12CC2 ZINC000817442566 586806058 /nfs/dbraw/zinc/80/60/58/586806058.db2.gz YRGXPCZBKVDUNW-SECBINFHSA-N 0 0 247.250 2.609 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)OC1CC1 ZINC000817730748 586822496 /nfs/dbraw/zinc/82/24/96/586822496.db2.gz NIQRGSKQWNGCHZ-UHFFFAOYSA-N 0 0 235.239 2.531 20 5 BFBDRN C[C@@H]1CC(C)(C)CN1c1ccc(N)cc1[N+](=O)[O-] ZINC000840374902 586934314 /nfs/dbraw/zinc/93/43/14/586934314.db2.gz CRPKTHXVPAXGAI-SECBINFHSA-N 0 0 249.314 2.802 20 5 BFBDRN C=C=CCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000820586715 587057047 /nfs/dbraw/zinc/05/70/47/587057047.db2.gz OMWSBJLCCJVKQL-UHFFFAOYSA-N 0 0 241.250 2.896 20 5 BFBDRN CC[C@@H]1C[C@H]1C(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000822251718 587159507 /nfs/dbraw/zinc/15/95/07/587159507.db2.gz VDQKNWOPQRRBNX-LDYMZIIASA-N 0 0 235.239 2.546 20 5 BFBDRN CC/C(C)=C\C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000822814935 587187824 /nfs/dbraw/zinc/18/78/24/587187824.db2.gz WBOFOKKRRSSZLW-YFHOEESVSA-N 0 0 248.282 2.567 20 5 BFBDRN CCCC(C)(C)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822892222 587191435 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973055619 /nfs/dbraw/zinc/05/56/19/973055619.db2.gz PCJSQKQKIOVKND-KBPBESRZSA-N 0 0 247.294 2.746 20 5 BFBDRN C=C(O[C@@H](C[N+](=O)[O-])C1CC1)c1ccccc1 ZINC001223638803 973204103 /nfs/dbraw/zinc/20/41/03/973204103.db2.gz KZEXFHHMCFMDSC-ZDUSSCGKSA-N 0 0 233.267 2.729 20 5 BFBDRN COc1ccc(COC2CCC2)cc1[N+](=O)[O-] ZINC001223650437 973214242 /nfs/dbraw/zinc/21/42/42/973214242.db2.gz IEPVNVYRFXKEPU-UHFFFAOYSA-N 0 0 237.255 2.673 20 5 BFBDRN COc1cccc(COC(C)C)c1[N+](=O)[O-] ZINC001223808366 973290193 /nfs/dbraw/zinc/29/01/93/973290193.db2.gz ANDKGQBKCYTUHE-UHFFFAOYSA-N 0 0 225.244 2.528 20 5 BFBDRN CC(C)[C@@H](C)OCc1ccc([N+](=O)[O-])nc1 ZINC001224108735 973452079 /nfs/dbraw/zinc/45/20/79/973452079.db2.gz KAUNWUSPZHJKBQ-SECBINFHSA-N 0 0 224.260 2.551 20 5 BFBDRN CC(C)C[C@H](C)OCc1ccc([N+](=O)[O-])nc1 ZINC001224108006 973452126 /nfs/dbraw/zinc/45/21/26/973452126.db2.gz BEQFGVNEQUVBNL-JTQLQIEISA-N 0 0 238.287 2.941 20 5 BFBDRN CC[C@@H](C)[C@H](C)OCc1ccc([N+](=O)[O-])nc1 ZINC001224115468 973456456 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974578989 /nfs/dbraw/zinc/57/89/89/974578989.db2.gz NMYYSDIALSRGSH-MWLCHTKSSA-N 0 0 236.271 2.947 20 5 BFBDRN O=[N+]([O-])c1cccnc1O[C@@H]1CCC(F)(F)C1 ZINC001225594081 974582214 /nfs/dbraw/zinc/58/22/14/974582214.db2.gz AZKZINYVNHAPBK-SSDOTTSWSA-N 0 0 244.197 2.556 20 5 BFBDRN C[C@H]1CCC[C@@H]1Oc1ccc([N+](=O)[O-])cn1 ZINC001225627780 974600459 /nfs/dbraw/zinc/60/04/59/974600459.db2.gz HPLVYRMUOHVURP-WPRPVWTQSA-N 0 0 222.244 2.557 20 5 BFBDRN CCC[C@@H](CC)Oc1cccnc1[N+](=O)[O-] ZINC001225628107 974605594 /nfs/dbraw/zinc/60/55/94/974605594.db2.gz CRRGOYVXGRPBDI-SECBINFHSA-N 0 0 224.260 2.947 20 5 BFBDRN CC[C@@H](COC)Oc1cccc(C)c1[N+](=O)[O-] ZINC001225631017 974606840 /nfs/dbraw/zinc/60/68/40/974606840.db2.gz CFUDVTZYWOEDPY-JTQLQIEISA-N 0 0 239.271 2.707 20 5 BFBDRN C[C@H]1CC[C@H](Oc2ccc([N+](=O)[O-])cn2)CC1 ZINC001225629902 974607148 /nfs/dbraw/zinc/60/71/48/974607148.db2.gz CQGGWGXJQUKDKL-HOMQSWHASA-N 0 0 236.271 2.947 20 5 BFBDRN C[C@H](Cc1ccco1)Oc1ccc([N+](=O)[O-])cn1 ZINC001225631679 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ZINC001225684303 974643683 /nfs/dbraw/zinc/64/36/83/974643683.db2.gz YTJHJXNLQWOFJY-JTQLQIEISA-N 0 0 239.271 2.707 20 5 BFBDRN CC[C@@H](C)Oc1cccc([N+](=O)[O-])c1F ZINC001225794639 974685099 /nfs/dbraw/zinc/68/50/99/974685099.db2.gz VTJIMLMUZCJANK-SSDOTTSWSA-N 0 0 213.208 2.911 20 5 BFBDRN CCO[C@@H](C)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001225914989 974727375 /nfs/dbraw/zinc/72/73/75/974727375.db2.gz DKRNLKRTIQILLO-QMMMGPOBSA-N 0 0 243.234 2.538 20 5 BFBDRN O=[N+]([O-])c1ccc(O[C@@H]2C=CCC2)c(F)c1 ZINC001225942355 974736626 /nfs/dbraw/zinc/73/66/26/974736626.db2.gz QVRYHRSRIZSZDP-SECBINFHSA-N 0 0 223.203 2.831 20 5 BFBDRN CO[C@H](C)CCOc1ccc([N+](=O)[O-])cc1F ZINC001225942266 974737750 /nfs/dbraw/zinc/73/77/50/974737750.db2.gz NQZDLQDQFNAUHH-MRVPVSSYSA-N 0 0 243.234 2.538 20 5 BFBDRN CC[C@@H](COC)Oc1c(F)cccc1[N+](=O)[O-] ZINC001226008014 974761732 /nfs/dbraw/zinc/76/17/32/974761732.db2.gz WPNYCLLHDSHDHR-QMMMGPOBSA-N 0 0 243.234 2.538 20 5 BFBDRN Cc1ccnc(O[C@@H]2CC[C@H](C)C2)c1[N+](=O)[O-] 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BFBDRN Cc1cncc([N+](=O)[O-])c1NC[C@@H]1CC[C@@H](C)C1 ZINC001322495625 988303203 /nfs/dbraw/zinc/30/32/03/988303203.db2.gz KEPFVNMGFBHSDF-MWLCHTKSSA-N 0 0 249.314 2.568 20 5 BFBDRN Cc1cncc([N+](=O)[O-])c1N1CC(C)(C)C[C@@H]1C ZINC001325232892 989126136 /nfs/dbraw/zinc/12/61/36/989126136.db2.gz VJAATGIMIKWVSQ-JTQLQIEISA-N 0 0 249.314 2.923 20 5 BFBDRN CC(C)(C)[C@@H]1CCN1c1ncccc1[N+](=O)[O-] ZINC001516293465 989145677 /nfs/dbraw/zinc/14/56/77/989145677.db2.gz PZLFHWKZQJTGLT-JTQLQIEISA-N 0 0 235.287 2.615 20 5 BFBDRN Cc1cc(NC(=O)C2CCC2)cc([N+](=O)[O-])c1 ZINC001519035087 989370276 /nfs/dbraw/zinc/37/02/76/989370276.db2.gz DGZIARJKHHASLY-UHFFFAOYSA-N 0 0 234.255 2.642 20 5 BFBDRN CC(C)=CC(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001519040129 989371699 /nfs/dbraw/zinc/37/16/99/989371699.db2.gz SXFUEYFWEIQDDK-UHFFFAOYSA-N 0 0 234.255 2.808 20 5 BFBDRN Cc1cncc([N+](=O)[O-])c1N1CC[C@@H](C)[C@H](C)C1 ZINC001326434562 989550175 /nfs/dbraw/zinc/55/01/75/989550175.db2.gz XTIOJDKWANMAKA-MWLCHTKSSA-N 0 0 249.314 2.781 20 5 BFBDRN O=[N+]([O-])c1ccc(SCc2ccccn2)cn1 ZINC001559246128 991057374 /nfs/dbraw/zinc/05/73/74/991057374.db2.gz BKCLORUXCQUZJS-UHFFFAOYSA-N 0 0 247.279 2.677 20 5 BFBDRN O=[N+]([O-])c1ccc(OCc2cncs2)cc1 ZINC001559327217 991074065 /nfs/dbraw/zinc/07/40/65/991074065.db2.gz RMAKRWIKIANCME-UHFFFAOYSA-N 0 0 236.252 2.630 20 5 BFBDRN O=[N+]([O-])c1nccn1CC/C=C/c1ccccc1 ZINC001559454255 991109282 /nfs/dbraw/zinc/10/92/82/991109282.db2.gz SRFPTKJNNWWEFB-XBXARRHUSA-N 0 0 243.266 2.895 20 5 BFBDRN Cc1cnc(Nc2cccc([N+](=O)[O-])c2)nc1C ZINC001204406171 991430435 /nfs/dbraw/zinc/43/04/35/991430435.db2.gz BOFCQCQGGWDYPC-UHFFFAOYSA-N 0 0 244.254 2.745 20 5 BFBDRN Cc1cncc([N+](=O)[O-])c1N1C[C@H](C)[C@@H](C)[C@H]1C ZINC001261378657 992283960 /nfs/dbraw/zinc/28/39/60/992283960.db2.gz FURGOPXDPYJRDB-HBNTYKKESA-N 0 0 249.314 2.779 20 5 BFBDRN Cc1cncc([N+](=O)[O-])c1N[C@@H]1CCCC[C@H]1C ZINC001320710067 992329752 /nfs/dbraw/zinc/32/97/52/992329752.db2.gz AHRMKAMPHAXPPA-MWLCHTKSSA-N 0 0 249.314 2.711 20 5 BFBDRN CCCCC1(C(=O)O[C@@H](CC)C[N+](=O)[O-])CC1 ZINC001263623559 993430675 /nfs/dbraw/zinc/43/06/75/993430675.db2.gz UDLUBHGZDTVIIG-JTQLQIEISA-N 0 0 243.303 2.555 20 5 BFBDRN CC[C@@H]1CCN(c2nccc(C)c2[N+](=O)[O-])[C@H]1C ZINC001307103131 995288146 /nfs/dbraw/zinc/28/81/46/995288146.db2.gz XWOAORYSGRNXIN-WDEREUQCSA-N 0 0 249.314 2.923 20 5 BFBDRN CCC[C@@H](C)CCNc1c([N+](=O)[O-])cnn1C ZINC001307197365 995302931 /nfs/dbraw/zinc/30/29/31/995302931.db2.gz AOMRJPCMKOJQIR-SECBINFHSA-N 0 0 240.307 2.567 20 5 BFBDRN O=[N+]([O-])c1cnn(CCCC2CCCCC2)n1 ZINC001307385497 995341292 /nfs/dbraw/zinc/34/12/92/995341292.db2.gz XAAYIXRZPVZQKZ-UHFFFAOYSA-N 0 0 238.291 2.547 20 5 BFBDRN COc1ccc([N+](=O)[O-])c(NC[C@@H]2C[C@H]2C)c1 ZINC000159417058 136214274 /nfs/dbraw/zinc/21/42/74/136214274.db2.gz CURVEKLNQVBVAT-BDAKNGLRSA-N 0 0 236.271 2.671 20 5 BFBDRN O=[N+]([O-])c1ccc(/C=C\c2nccs2)nc1 ZINC000610648500 398171235 /nfs/dbraw/zinc/17/12/35/398171235.db2.gz REINMKBMKQXMJI-RQOWECAXSA-N 0 0 233.252 2.617 20 5 BFBDRN Cc1cc(N2C[C@@H]3[C@H](C2)C3(C)C)ccc1[N+](=O)[O-] ZINC000301469449 178122407 /nfs/dbraw/zinc/12/24/07/178122407.db2.gz RZSJDZWBBWUZSK-TXEJJXNPSA-N 0 0 246.310 2.995 20 5 BFBDRN CCC(O)(CC)COc1ccc([N+](=O)[O-])cc1 ZINC000165218860 398219898 /nfs/dbraw/zinc/21/98/98/398219898.db2.gz KXTNPGYCBZBNFA-UHFFFAOYSA-N 0 0 239.271 2.525 20 5 BFBDRN Cc1cc(N[C@@H]2CC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000336644530 178182329 /nfs/dbraw/zinc/18/23/29/178182329.db2.gz CGNJTLYUUJWBNR-IONNQARKSA-N 0 0 221.260 2.509 20 5 BFBDRN Cc1cc(OCC(=O)C(C)C)ccc1[N+](=O)[O-] ZINC000113418896 178208172 /nfs/dbraw/zinc/20/81/72/178208172.db2.gz ATITXBVRJCNSLH-UHFFFAOYSA-N 0 0 237.255 2.507 20 5 BFBDRN Cc1cc(S[C@H](C)[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000092658844 178219805 /nfs/dbraw/zinc/21/98/05/178219805.db2.gz GNISDJCOKDHZHK-RKDXNWHRSA-N 0 0 241.312 2.765 20 5 BFBDRN Cc1cc(S[C@@H](C)[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000092658843 178220084 /nfs/dbraw/zinc/22/00/84/178220084.db2.gz GNISDJCOKDHZHK-BDAKNGLRSA-N 0 0 241.312 2.765 20 5 BFBDRN Cc1cc([N+](=O)[O-])ccc1OCC(=O)C1(C)CC1 ZINC000280054227 178272333 /nfs/dbraw/zinc/27/23/33/178272333.db2.gz YLDVYJGIEPTTCO-UHFFFAOYSA-N 0 0 249.266 2.651 20 5 BFBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CCC1 ZINC000160471195 178272481 /nfs/dbraw/zinc/27/24/81/178272481.db2.gz HICJXMAUOFXQOI-UHFFFAOYSA-N 0 0 249.270 2.577 20 5 BFBDRN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[C@@H]1C ZINC000071208128 178275587 /nfs/dbraw/zinc/27/55/87/178275587.db2.gz DUNJBRBSOLOYTL-GZMMTYOYSA-N 0 0 235.287 2.899 20 5 BFBDRN CCC(CC)CNc1ccc([N+](=O)[O-])nc1 ZINC000124340145 168365844 /nfs/dbraw/zinc/36/58/44/168365844.db2.gz GWWGWAWGPYMMTL-UHFFFAOYSA-N 0 0 223.276 2.838 20 5 BFBDRN O=[N+]([O-])c1cccc(F)c1OCCCCF ZINC000285179557 398250248 /nfs/dbraw/zinc/25/02/48/398250248.db2.gz NYFVEHJAZFWHGZ-UHFFFAOYSA-N 0 0 231.198 2.862 20 5 BFBDRN CC[C@@H](C)CN(CC)c1ccc([N+](=O)[O-])cn1 ZINC000301494721 398282705 /nfs/dbraw/zinc/28/27/05/398282705.db2.gz SBNVXHDERBTXCN-SNVBAGLBSA-N 0 0 237.303 2.862 20 5 BFBDRN CCC(CC)Nc1ncccc1[N+](=O)[O-] ZINC000021499819 168395193 /nfs/dbraw/zinc/39/51/93/168395193.db2.gz KJHPUYRFPSGHQC-UHFFFAOYSA-N 0 0 209.249 2.590 20 5 BFBDRN C/C=C(\C)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271861327 187335786 /nfs/dbraw/zinc/33/57/86/187335786.db2.gz YVYQYACEBBBPOD-WXLQGSQKSA-N 0 0 248.282 2.738 20 5 BFBDRN Cc1cnc(N[C@@H]2CC[C@H]3C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000403676566 398292576 /nfs/dbraw/zinc/29/25/76/398292576.db2.gz VSGDQDUEHZAPRP-GARJFASQSA-N 0 0 247.298 2.899 20 5 BFBDRN O=[N+]([O-])c1cccc(OC[C@H]2CCCCO2)c1 ZINC000069528337 342838086 /nfs/dbraw/zinc/83/80/86/342838086.db2.gz NGKGHAXLTOSXJS-GFCCVEGCSA-N 0 0 237.255 2.543 20 5 BFBDRN C[C@@H]1C[C@H](C)CN1c1ccc(F)cc1[N+](=O)[O-] ZINC000524843181 398309063 /nfs/dbraw/zinc/30/90/63/398309063.db2.gz XBZLAFOPVVYJFC-DTWKUNHWSA-N 0 0 238.262 2.969 20 5 BFBDRN Cc1c(NC(=O)C2=CCC2)cccc1[N+](=O)[O-] ZINC000335948002 398319516 /nfs/dbraw/zinc/31/95/16/398319516.db2.gz LZPDMHYBVQRSOB-UHFFFAOYSA-N 0 0 232.239 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244.291 2.841 20 5 BFBDRN Cc1cc(N(C)CC2CCC2)ncc1[N+](=O)[O-] ZINC000080605388 398340965 /nfs/dbraw/zinc/34/09/65/398340965.db2.gz KMNBVNVURUMUIE-UHFFFAOYSA-N 0 0 235.287 2.535 20 5 BFBDRN CC1(C)CN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000602751351 349730082 /nfs/dbraw/zinc/73/00/82/349730082.db2.gz IGLSRTZUBQLRIC-ALCCZGGFSA-N 0 0 246.310 2.950 20 5 BFBDRN CC(C)C[C@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000053297332 343032550 /nfs/dbraw/zinc/03/25/50/343032550.db2.gz GZAQMMCAYARIMN-VIFPVBQESA-N 0 0 223.276 2.836 20 5 BFBDRN CC(C)(C)[C@H]1CCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000576977129 365740187 /nfs/dbraw/zinc/74/01/87/365740187.db2.gz BAUOOFDWJBKJDD-JTQLQIEISA-N 0 0 249.314 2.862 20 5 BFBDRN Cc1nc(N[C@H]2CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000309208221 136274964 /nfs/dbraw/zinc/27/49/64/136274964.db2.gz NCNBFWWXWRWXEY-APPZFPTMSA-N 0 0 221.260 2.509 20 5 BFBDRN Cc1ccc(NC(=O)CC2CC2)cc1[N+](=O)[O-] ZINC000031885554 343226079 /nfs/dbraw/zinc/22/60/79/343226079.db2.gz UIRYXPQZNGCJIC-UHFFFAOYSA-N 0 0 234.255 2.642 20 5 BFBDRN O=[N+]([O-])c1sccc1N[C@@H]1CCCOCC1 ZINC000310038671 343226869 /nfs/dbraw/zinc/22/68/69/343226869.db2.gz WIBKIGIAEXBNRZ-MRVPVSSYSA-N 0 0 242.300 2.637 20 5 BFBDRN O=[N+]([O-])c1ncccc1N1Cc2ccccc2C1 ZINC000609269771 343395853 /nfs/dbraw/zinc/39/58/53/343395853.db2.gz KUDGVQSLSPACIA-UHFFFAOYSA-N 0 0 241.250 2.510 20 5 BFBDRN Cc1ccc(C(=O)N2[C@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000335693837 136326019 /nfs/dbraw/zinc/32/60/19/136326019.db2.gz WSBZQAPRXMPUDD-AOOOYVTPSA-N 0 0 248.282 2.526 20 5 BFBDRN CC(C)CONc1ccc([N+](=O)[O-])cc1 ZINC000276280053 187338718 /nfs/dbraw/zinc/33/87/18/187338718.db2.gz WQGCFIBRSRSDRB-UHFFFAOYSA-N 0 0 210.233 2.594 20 5 BFBDRN O=[N+]([O-])c1ccc(NC[C@H]2CCSC2)s1 ZINC000308906553 346938952 /nfs/dbraw/zinc/93/89/52/346938952.db2.gz DRTBFLOZINOOBZ-SSDOTTSWSA-N 0 0 244.341 2.821 20 5 BFBDRN CCN(C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000045310558 343527769 /nfs/dbraw/zinc/52/77/69/343527769.db2.gz MGFLITKGLFIZQB-UHFFFAOYSA-N 0 0 249.270 2.611 20 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CCCn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000103920984 384653389 /nfs/dbraw/zinc/65/33/89/384653389.db2.gz CFCQRHCOBDIUDA-UHFFFAOYSA-N 0 0 231.255 2.868 20 5 BFBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1C[C@@H]1C ZINC000361328441 384683086 /nfs/dbraw/zinc/68/30/86/384683086.db2.gz LVVLVQWXVMQUSZ-UWVGGRQHSA-N 0 0 248.282 2.888 20 5 BFBDRN Cc1nc(NC[C@@H]2CC2(C)C)ccc1[N+](=O)[O-] ZINC000230184723 384700073 /nfs/dbraw/zinc/70/00/73/384700073.db2.gz WNQCSTRZZWGWFA-VIFPVBQESA-N 0 0 235.287 2.756 20 5 BFBDRN CCCCCSCCn1ccc([N+](=O)[O-])n1 ZINC000180725953 384733682 /nfs/dbraw/zinc/73/36/82/384733682.db2.gz DLRDZHPWUXXMAY-UHFFFAOYSA-N 0 0 243.332 2.715 20 5 BFBDRN Cc1ccnc(N[C@H]2CC[C@H](F)C2)c1[N+](=O)[O-] ZINC000340926031 384821910 /nfs/dbraw/zinc/82/19/10/384821910.db2.gz ZKFDHXXOMVKWKN-IUCAKERBSA-N 0 0 239.250 2.601 20 5 BFBDRN Cc1ccnc(N[C@H]2CC[C@@H](F)C2)c1[N+](=O)[O-] ZINC000340926028 384822662 /nfs/dbraw/zinc/82/26/62/384822662.db2.gz ZKFDHXXOMVKWKN-BDAKNGLRSA-N 0 0 239.250 2.601 20 5 BFBDRN O=[N+]([O-])c1cccnc1N1Cc2ccccc2C1 ZINC000106065796 384823326 /nfs/dbraw/zinc/82/33/26/384823326.db2.gz ZZQZLYOPFFFBBZ-UHFFFAOYSA-N 0 0 241.250 2.510 20 5 BFBDRN CCc1nocc1CNc1cccc([N+](=O)[O-])c1 ZINC000515499991 384790554 /nfs/dbraw/zinc/79/05/54/384790554.db2.gz RPZXBYADXFBTJQ-UHFFFAOYSA-N 0 0 247.254 2.757 20 5 BFBDRN C[C@@H]1C[C@H]1CC(=O)N(C)c1cccc([N+](=O)[O-])c1 ZINC000361965691 384879222 /nfs/dbraw/zinc/87/92/22/384879222.db2.gz UBWZCRWHIXBAQI-ZJUUUORDSA-N 0 0 248.282 2.604 20 5 BFBDRN Cc1cc(CNc2cc(C)ccc2[N+](=O)[O-])no1 ZINC000084726472 384865942 /nfs/dbraw/zinc/86/59/42/384865942.db2.gz QKDRMMCEOILBBR-UHFFFAOYSA-N 0 0 247.254 2.812 20 5 BFBDRN C[C@H]1CC[C@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC000309305740 384914912 /nfs/dbraw/zinc/91/49/12/384914912.db2.gz NBFLGZDQMVMCID-IONNQARKSA-N 0 0 224.235 2.944 20 5 BFBDRN O=[N+]([O-])c1ccccc1N[C@H]1CCO[C@H]1C1CC1 ZINC000230308875 385002057 /nfs/dbraw/zinc/00/20/57/385002057.db2.gz IJXQAXGDEBEHFR-AAEUAGOBSA-N 0 0 248.282 2.574 20 5 BFBDRN O=C(Oc1cccc([N+](=O)[O-])c1)[C@H]1CC=CCC1 ZINC000072508424 385196680 /nfs/dbraw/zinc/19/66/80/385196680.db2.gz LDAAEFLUVHFXEI-JTQLQIEISA-N 0 0 247.250 2.857 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N2C[C@H](C)[C@@H](C)[C@H]2C)n1 ZINC000516750754 385149300 /nfs/dbraw/zinc/14/93/00/385149300.db2.gz PSVNTLVDDFERMI-JMJZKYOTSA-N 0 0 249.314 2.779 20 5 BFBDRN CCCCCNc1ncc(C)cc1[N+](=O)[O-] ZINC000085426816 385176956 /nfs/dbraw/zinc/17/69/56/385176956.db2.gz DDMSYYXUXWBRHE-UHFFFAOYSA-N 0 0 223.276 2.900 20 5 BFBDRN Cc1cnc(NCCC(C)C)c([N+](=O)[O-])c1 ZINC000085426818 385178087 /nfs/dbraw/zinc/17/80/87/385178087.db2.gz YURBDNXFLJKQPU-UHFFFAOYSA-N 0 0 223.276 2.756 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C1CC1 ZINC000152925920 385223646 /nfs/dbraw/zinc/22/36/46/385223646.db2.gz PHHBETZDFOBAJH-UHFFFAOYSA-N 0 0 234.255 2.560 20 5 BFBDRN C[C@@H](C(=O)N(C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000158164754 385242985 /nfs/dbraw/zinc/24/29/85/385242985.db2.gz WQKQHWRVPQQPHW-SECBINFHSA-N 0 0 248.282 2.604 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CCCC23CCC3)nc1 ZINC000365466180 385251062 /nfs/dbraw/zinc/25/10/62/385251062.db2.gz YAZCZHDEANASGJ-UHFFFAOYSA-N 0 0 233.271 2.513 20 5 BFBDRN C[C@H](CF)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000288102029 385265849 /nfs/dbraw/zinc/26/58/49/385265849.db2.gz AYBHRTFVGHKDHM-RXMQYKEDSA-N 0 0 234.177 2.643 20 5 BFBDRN CC[C@@H](C)[C@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000189684333 385275073 /nfs/dbraw/zinc/27/50/73/385275073.db2.gz QYLMIRXOCRPIBG-RQJHMYQMSA-N 0 0 229.305 2.898 20 5 BFBDRN CCOc1cc(NC2CCC2)ccc1[N+](=O)[O-] ZINC000111049628 385500389 /nfs/dbraw/zinc/50/03/89/385500389.db2.gz JOGLQJZDTARHIV-UHFFFAOYSA-N 0 0 236.271 2.958 20 5 BFBDRN CC[C@H](CNc1c(F)cccc1[N+](=O)[O-])OC ZINC000290797833 385575812 /nfs/dbraw/zinc/57/58/12/385575812.db2.gz YGIROWCVRNLCTA-MRVPVSSYSA-N 0 0 242.250 2.571 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H](C)C2)n1 ZINC000408171803 385602785 /nfs/dbraw/zinc/60/27/85/385602785.db2.gz OEKYTGSFPZVMGT-SECBINFHSA-N 0 0 249.314 2.843 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]2C)n1 ZINC000408172351 385605631 /nfs/dbraw/zinc/60/56/31/385605631.db2.gz VOUYAYRHASJBSO-JTQLQIEISA-N 0 0 235.287 2.595 20 5 BFBDRN Cc1nn(Cc2cc(C)ccc2C)cc1[N+](=O)[O-] ZINC000181820931 385586257 /nfs/dbraw/zinc/58/62/57/385586257.db2.gz PSHOBDAQKOICIE-UHFFFAOYSA-N 0 0 245.282 2.765 20 5 BFBDRN O=[N+]([O-])c1ccccc1CN1CCC[C@@H]1CF ZINC000292983550 385729798 /nfs/dbraw/zinc/72/97/98/385729798.db2.gz HORZZQQQCRTMCL-LLVKDONJSA-N 0 0 238.262 2.529 20 5 BFBDRN O=[N+]([O-])c1ccc(CN2CCC[C@H]2CF)cc1 ZINC000293147562 385736928 /nfs/dbraw/zinc/73/69/28/385736928.db2.gz UCVIUIKSMQOFIU-LBPRGKRZSA-N 0 0 238.262 2.529 20 5 BFBDRN O=[N+]([O-])c1cccc(CN2CCC[C@H]2CF)c1 ZINC000293128052 385737838 /nfs/dbraw/zinc/73/78/38/385737838.db2.gz RYTWBWBBBUEGOV-LBPRGKRZSA-N 0 0 238.262 2.529 20 5 BFBDRN CC1(C2(Nc3ncc([N+](=O)[O-])s3)CC2)CC1 ZINC000398269914 385745684 /nfs/dbraw/zinc/74/56/84/385745684.db2.gz UFDOPXFESXORLA-UHFFFAOYSA-N 0 0 239.300 2.796 20 5 BFBDRN CCSCCc1ccc([N+](=O)[O-])cc1 ZINC000183267595 385747521 /nfs/dbraw/zinc/74/75/21/385747521.db2.gz VYIASPFMJRQIAI-UHFFFAOYSA-N 0 0 211.286 2.890 20 5 BFBDRN CN(CCF)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000293612085 385833339 /nfs/dbraw/zinc/83/33/39/385833339.db2.gz KBTRFQAIRZVCDJ-UHFFFAOYSA-N 0 0 246.669 2.650 20 5 BFBDRN C[C@H](CC1CC1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000112601552 385846362 /nfs/dbraw/zinc/84/63/62/385846362.db2.gz RTJKFPQMTPYEKT-SECBINFHSA-N 0 0 248.282 2.513 20 5 BFBDRN Cc1cc(COc2cc([N+](=O)[O-])ccc2C)on1 ZINC000042180590 385851590 /nfs/dbraw/zinc/85/15/90/385851590.db2.gz LUKHVAMUCAWRMS-UHFFFAOYSA-N 0 0 248.238 2.779 20 5 BFBDRN O=C(C=C1CCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000086963687 385971809 /nfs/dbraw/zinc/97/18/09/385971809.db2.gz JGDNHIAFBNKZCB-UHFFFAOYSA-N 0 0 232.239 2.644 20 5 BFBDRN C/C=C/C=C/C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000182433060 386188065 /nfs/dbraw/zinc/18/80/65/386188065.db2.gz ANBQCKNURDJIAT-VNKDHWASSA-N 0 0 246.266 2.974 20 5 BFBDRN CCC1(C)CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000297439212 386258110 /nfs/dbraw/zinc/25/81/10/386258110.db2.gz PFOHXZZZGINKHH-UHFFFAOYSA-N 0 0 234.299 2.827 20 5 BFBDRN C[C@H]1CCCC[C@@H]1Cn1cnc([N+](=O)[O-])c1 ZINC000571939705 386276624 /nfs/dbraw/zinc/27/66/24/386276624.db2.gz OLYSJLYJTBUMHC-VHSXEESVSA-N 0 0 223.276 2.618 20 5 BFBDRN CC/C(C)=C/C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000294457870 386437956 /nfs/dbraw/zinc/43/79/56/386437956.db2.gz MNHPMIUDBMOCPP-CSKARUKUSA-N 0 0 248.282 2.567 20 5 BFBDRN CC[C@H]1CCN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000294178417 386445478 /nfs/dbraw/zinc/44/54/78/386445478.db2.gz WOJBLWQSAAIVAJ-JTQLQIEISA-N 0 0 248.282 2.528 20 5 BFBDRN CCc1nccn1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000572016070 386421104 /nfs/dbraw/zinc/42/11/04/386421104.db2.gz QUEYUGDBIJFYOV-UHFFFAOYSA-N 0 0 249.245 2.541 20 5 BFBDRN Cc1cnc(NCCC(C)(F)F)c([N+](=O)[O-])c1 ZINC000294218490 386493806 /nfs/dbraw/zinc/49/38/06/386493806.db2.gz NGGVMXNHYRKSCW-UHFFFAOYSA-N 0 0 245.229 2.755 20 5 BFBDRN CC(C)(C)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000229561111 386610972 /nfs/dbraw/zinc/61/09/72/386610972.db2.gz GEWMGUSRVRVGAA-UHFFFAOYSA-N 0 0 240.234 2.719 20 5 BFBDRN CCCCOc1c(C)c(C)ncc1[N+](=O)[O-] ZINC000519832645 386686447 /nfs/dbraw/zinc/68/64/47/386686447.db2.gz JJXYZEPEWKJAHW-UHFFFAOYSA-N 0 0 224.260 2.786 20 5 BFBDRN COC(C)(C)CCNc1cccc([N+](=O)[O-])c1 ZINC000230403169 134513004 /nfs/dbraw/zinc/51/30/04/134513004.db2.gz CAMOCEAUMZQYPH-UHFFFAOYSA-N 0 0 238.287 2.822 20 5 BFBDRN CC1(c2noc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000453333546 386750143 /nfs/dbraw/zinc/75/01/43/386750143.db2.gz ZTFALHMTLOLUTL-UHFFFAOYSA-N 0 0 245.238 2.696 20 5 BFBDRN CC[C@@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000152854068 134518249 /nfs/dbraw/zinc/51/82/49/134518249.db2.gz QSXPBVIMXBLLCF-SNVBAGLBSA-N 0 0 220.272 2.831 20 5 BFBDRN O=[N+]([O-])c1cccc(F)c1NC1CCC1 ZINC000088134558 386839044 /nfs/dbraw/zinc/83/90/44/386839044.db2.gz CYIVRNJCTRSMLA-UHFFFAOYSA-N 0 0 210.208 2.698 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N(C)C2CC2)c1 ZINC000268107794 386852556 /nfs/dbraw/zinc/85/25/56/386852556.db2.gz LOFAMXXTLRXHNN-UHFFFAOYSA-N 0 0 206.245 2.502 20 5 BFBDRN CSc1ccccc1Cn1cnc([N+](=O)[O-])c1 ZINC000358285711 386926926 /nfs/dbraw/zinc/92/69/26/386926926.db2.gz NHKKYWMDAZCOJR-UHFFFAOYSA-N 0 0 249.295 2.562 20 5 BFBDRN C[C@H](O)COc1ccc([N+](=O)[O-])c2ccccc12 ZINC000087644552 386942534 /nfs/dbraw/zinc/94/25/34/386942534.db2.gz TZBIHJHLCUSDAP-VIFPVBQESA-N 0 0 247.250 2.508 20 5 BFBDRN CC1(C)CCC[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000094267192 386951434 /nfs/dbraw/zinc/95/14/34/386951434.db2.gz KXDQPMBZIJYYCM-SNVBAGLBSA-N 0 0 235.287 2.980 20 5 BFBDRN CCOc1cc(N[C@@H]2C[C@H]2C)ccc1[N+](=O)[O-] ZINC000111049651 387070356 /nfs/dbraw/zinc/07/03/56/387070356.db2.gz YAIWIDPZBQKUNZ-PSASIEDQSA-N 0 0 236.271 2.814 20 5 BFBDRN CO[C@@H](C)CNc1ccc([N+](=O)[O-])cc1Cl ZINC000224329485 387124862 /nfs/dbraw/zinc/12/48/62/387124862.db2.gz JTICQJFXNHIPQJ-ZETCQYMHSA-N 0 0 244.678 2.695 20 5 BFBDRN CSCCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000121677505 387143249 /nfs/dbraw/zinc/14/32/49/387143249.db2.gz AQHDSZVPNNENBZ-UHFFFAOYSA-N 0 0 248.254 2.648 20 5 BFBDRN CC[C@H](F)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000440506272 387251248 /nfs/dbraw/zinc/25/12/48/387251248.db2.gz ZYXYQOHMJXAVHD-UWVGGRQHSA-N 0 0 240.278 2.994 20 5 BFBDRN CC[C@@H](F)CSc1ccc([N+](=O)[O-])cn1 ZINC000440584013 387343499 /nfs/dbraw/zinc/34/34/99/387343499.db2.gz MFFADVKIKNEPHS-SSDOTTSWSA-N 0 0 230.264 2.830 20 5 BFBDRN CC[C@@H](F)COc1cc([N+](=O)[O-])ccc1OC ZINC000440577718 387344812 /nfs/dbraw/zinc/34/48/12/387344812.db2.gz MJDHQASUCHDOHG-MRVPVSSYSA-N 0 0 243.234 2.730 20 5 BFBDRN CC[C@@H](F)COc1ccc(OC)cc1[N+](=O)[O-] ZINC000440574842 387345082 /nfs/dbraw/zinc/34/50/82/387345082.db2.gz DUBUWXYFYPPYEN-MRVPVSSYSA-N 0 0 243.234 2.730 20 5 BFBDRN O=[N+]([O-])c1cnccc1Sc1ccncc1 ZINC000361061533 387397530 /nfs/dbraw/zinc/39/75/30/387397530.db2.gz HSCASQFNCYACGD-UHFFFAOYSA-N 0 0 233.252 2.536 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(N(C)CC(C)C)n1 ZINC000359105844 177875858 /nfs/dbraw/zinc/87/58/58/177875858.db2.gz WUGDOMYFJJVIBC-UHFFFAOYSA-N 0 0 237.303 2.699 20 5 BFBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@H]1C ZINC000589808204 388117331 /nfs/dbraw/zinc/11/73/31/388117331.db2.gz JRAOGLOCGGWZCP-LDYMZIIASA-N 0 0 248.282 2.752 20 5 BFBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C\C1CC1 ZINC000491932390 388352012 /nfs/dbraw/zinc/35/20/12/388352012.db2.gz DFLDQZAQUWBLQF-ALCCZGGFSA-N 0 0 246.266 2.808 20 5 BFBDRN O=C(/C=C/C1CCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000492095795 388353267 /nfs/dbraw/zinc/35/32/67/388353267.db2.gz NKGHWLLRFRNQPC-BQYQJAHWSA-N 0 0 246.266 2.890 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCC[C@H]2C)n1 ZINC000162623096 388353931 /nfs/dbraw/zinc/35/39/31/388353931.db2.gz YMLIZIPSEHSMMM-SCZZXKLOSA-N 0 0 235.287 2.899 20 5 BFBDRN O=[N+]([O-])c1cnc(NCCCC2CC2)s1 ZINC000226777208 388354844 /nfs/dbraw/zinc/35/48/44/388354844.db2.gz IQUTVNRESGNCQY-UHFFFAOYSA-N 0 0 227.289 2.653 20 5 BFBDRN O=[N+]([O-])c1cc2ccccc2nc1NC1CCC1 ZINC000352357510 388360532 /nfs/dbraw/zinc/36/05/32/388360532.db2.gz RMLBZJUUUAFTED-UHFFFAOYSA-N 0 0 243.266 2.529 20 5 BFBDRN CO[C@H](C)CSc1ccc([N+](=O)[O-])cc1F ZINC000193506018 388362840 /nfs/dbraw/zinc/36/28/40/388362840.db2.gz RQFBWHXDHBVGRU-SSDOTTSWSA-N 0 0 245.275 2.861 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@H]2CCO[C@H]2C2CC2)cc1 ZINC000230308532 388366193 /nfs/dbraw/zinc/36/61/93/388366193.db2.gz OXPLLRBSCPIIMB-STQMWFEESA-N 0 0 248.282 2.574 20 5 BFBDRN O=[N+]([O-])c1cc(F)ccc1NCc1ccoc1 ZINC000058002886 388371553 /nfs/dbraw/zinc/37/15/53/388371553.db2.gz MDUIMKUJDOFWJZ-UHFFFAOYSA-N 0 0 236.202 2.939 20 5 BFBDRN Cc1ccnc(N[C@H]2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000133217940 388381020 /nfs/dbraw/zinc/38/10/20/388381020.db2.gz MMSVGXOQWADICF-SCZZXKLOSA-N 0 0 235.287 2.899 20 5 BFBDRN CCN(CCC1CC1)c1cc(C)c([N+](=O)[O-])cn1 ZINC000354570124 388381052 /nfs/dbraw/zinc/38/10/52/388381052.db2.gz CNWOSSRUAQJZGI-UHFFFAOYSA-N 0 0 249.314 2.925 20 5 BFBDRN CCC1(NC(=O)c2ccccc2[N+](=O)[O-])CCC1 ZINC000174923614 388444524 /nfs/dbraw/zinc/44/45/24/388444524.db2.gz CZGJKWDKFVFWHP-UHFFFAOYSA-N 0 0 248.282 2.657 20 5 BFBDRN Cc1cnc(N[C@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000090692489 388471290 /nfs/dbraw/zinc/47/12/90/388471290.db2.gz VWLYIBOPXGJLLH-JTQLQIEISA-N 0 0 233.271 2.819 20 5 BFBDRN Cc1cc(N[C@@H](C)C[C@@H](C)O)c([N+](=O)[O-])s1 ZINC000596190751 388408086 /nfs/dbraw/zinc/40/80/86/388408086.db2.gz YDGJQXUKFJOIDW-NKWVEPMBSA-N 0 0 244.316 2.536 20 5 BFBDRN Cc1cc(N2CCC[C@H](F)C2)c([N+](=O)[O-])s1 ZINC000596221115 388409186 /nfs/dbraw/zinc/40/91/86/388409186.db2.gz VHFLBQBLJPJPSJ-QMMMGPOBSA-N 0 0 244.291 2.903 20 5 BFBDRN Cc1cc(C(=O)N2CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000173121950 388413888 /nfs/dbraw/zinc/41/38/88/388413888.db2.gz OELAUHHZMQWWJS-SNVBAGLBSA-N 0 0 248.282 2.528 20 5 BFBDRN Cc1c(C(=O)N2CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000173136145 388414362 /nfs/dbraw/zinc/41/43/62/388414362.db2.gz FEQJYMQTTRGAGX-SECBINFHSA-N 0 0 248.282 2.528 20 5 BFBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C ZINC000173150764 388414376 /nfs/dbraw/zinc/41/43/76/388414376.db2.gz NTWNLPHPDFRSME-SNVBAGLBSA-N 0 0 248.282 2.528 20 5 BFBDRN O=[N+]([O-])c1ccc(NCc2cccs2)cn1 ZINC000054613242 388427574 /nfs/dbraw/zinc/42/75/74/388427574.db2.gz WSGHCAZFPVHWET-UHFFFAOYSA-N 0 0 235.268 2.663 20 5 BFBDRN CN(CC1CCC1)c1ccc([N+](=O)[O-])cc1F ZINC000301231988 388492909 /nfs/dbraw/zinc/49/29/09/388492909.db2.gz FYZHSPSYNVLYPU-UHFFFAOYSA-N 0 0 238.262 2.970 20 5 BFBDRN CO[C@H](C)[C@@H](C)Nc1cc(C)ccc1[N+](=O)[O-] ZINC000161263908 388587560 /nfs/dbraw/zinc/58/75/60/388587560.db2.gz GVTPYOFMPHSKSH-NXEZZACHSA-N 0 0 238.287 2.739 20 5 BFBDRN O=[N+]([O-])c1cn(Cc2cc3ccccc3o2)cn1 ZINC000488627170 388588934 /nfs/dbraw/zinc/58/89/34/388588934.db2.gz QNUSWORDVUAMRD-UHFFFAOYSA-N 0 0 243.222 2.586 20 5 BFBDRN Cc1ccc(N2C[C@@H](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000301465938 388589994 /nfs/dbraw/zinc/58/99/94/388589994.db2.gz HPGJNXNVNNPLOD-GHMZBOCLSA-N 0 0 234.299 2.995 20 5 BFBDRN O=[N+]([O-])c1cc(F)ccc1NCCn1cccc1 ZINC000301587833 388596457 /nfs/dbraw/zinc/59/64/57/388596457.db2.gz PPMYQXLRXUVUAM-UHFFFAOYSA-N 0 0 249.245 2.648 20 5 BFBDRN CCCOc1ccc([N+](=O)[O-])c2ncccc12 ZINC000184987469 256850810 /nfs/dbraw/zinc/85/08/10/256850810.db2.gz PCMZZVKJWWRAJD-UHFFFAOYSA-N 0 0 232.239 2.932 20 5 BFBDRN O=[N+]([O-])c1ccccc1N1CCCSCC1 ZINC000298705722 388601175 /nfs/dbraw/zinc/60/11/75/388601175.db2.gz JDHIYXRFAIMNIL-UHFFFAOYSA-N 0 0 238.312 2.538 20 5 BFBDRN CC[C@H](COc1cc(F)cc([N+](=O)[O-])c1)OC ZINC000416900895 388672458 /nfs/dbraw/zinc/67/24/58/388672458.db2.gz AWLAPSIEPLBYMW-SNVBAGLBSA-N 0 0 243.234 2.538 20 5 BFBDRN CC[C@H]1CCN1c1cc(C)ccc1[N+](=O)[O-] ZINC000489058908 388675243 /nfs/dbraw/zinc/67/52/43/388675243.db2.gz QZSUJJFVLYSGQM-JTQLQIEISA-N 0 0 220.272 2.892 20 5 BFBDRN CC[C@@H]1CCN1c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000489058398 388675275 /nfs/dbraw/zinc/67/52/75/388675275.db2.gz NXZJVZLFQNECMM-SNVBAGLBSA-N 0 0 235.287 2.595 20 5 BFBDRN COCCCCOc1cc(F)ccc1[N+](=O)[O-] ZINC000114096076 388679877 /nfs/dbraw/zinc/67/98/77/388679877.db2.gz ZUYQMFAJTUCVNM-UHFFFAOYSA-N 0 0 243.234 2.539 20 5 BFBDRN CC[C@H](O)[C@H](CC)Nc1ccccc1[N+](=O)[O-] ZINC000313082060 388681462 /nfs/dbraw/zinc/68/14/62/388681462.db2.gz JWPQGJHSROPVBR-CABZTGNLSA-N 0 0 238.287 2.556 20 5 BFBDRN CCN(CC(C)C)c1ccc([N+](=O)[O-])c(C)n1 ZINC000301613537 388640328 /nfs/dbraw/zinc/64/03/28/388640328.db2.gz ADSJATQMSIBQGU-UHFFFAOYSA-N 0 0 237.303 2.781 20 5 BFBDRN CN(c1ncc(Cl)cc1[N+](=O)[O-])C1CCC1 ZINC000153850686 388641687 /nfs/dbraw/zinc/64/16/87/388641687.db2.gz RTDKJPOHPDKFJE-UHFFFAOYSA-N 0 0 241.678 2.632 20 5 BFBDRN CC[C@@H](NCc1cccc([N+](=O)[O-])c1)C(F)F ZINC000449364125 388748255 /nfs/dbraw/zinc/74/82/55/388748255.db2.gz RCAAQLQQEUDSFW-SNVBAGLBSA-N 0 0 244.241 2.728 20 5 BFBDRN CCN(CC)c1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000019870960 388749361 /nfs/dbraw/zinc/74/93/61/388749361.db2.gz CSNBDAHWGSHVFP-UHFFFAOYSA-N 0 0 236.271 2.644 20 5 BFBDRN CC(C)c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000278156066 388752929 /nfs/dbraw/zinc/75/29/29/388752929.db2.gz MOBYEYDYHJUHGU-UHFFFAOYSA-N 0 0 239.256 2.830 20 5 BFBDRN CSC[C@@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000124725525 388755616 /nfs/dbraw/zinc/75/56/16/388755616.db2.gz MSAWZFNURPPTAO-SSDOTTSWSA-N 0 0 244.291 2.897 20 5 BFBDRN O=[N+]([O-])c1ccsc1Oc1cccnc1 ZINC000301919547 388709008 /nfs/dbraw/zinc/70/90/08/388709008.db2.gz CGTJYGUNGPBIKC-UHFFFAOYSA-N 0 0 222.225 2.844 20 5 BFBDRN C[C@@H]1C[C@@H](C)N1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000530378979 388713735 /nfs/dbraw/zinc/71/37/35/388713735.db2.gz QWYSLFSVWGPXJX-RNFRBKRXSA-N 0 0 241.678 2.630 20 5 BFBDRN Cc1ccc(OCC(=O)CC2CC2)cc1[N+](=O)[O-] ZINC000278716351 388756424 /nfs/dbraw/zinc/75/64/24/388756424.db2.gz LNBBPHGNVIYECF-UHFFFAOYSA-N 0 0 249.266 2.651 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC2(C)C)c1 ZINC000530848477 388716171 /nfs/dbraw/zinc/71/61/71/388716171.db2.gz PVVCCPVJJAVFID-UHFFFAOYSA-N 0 0 248.282 2.528 20 5 BFBDRN Cc1cc(=O)n(CCCC(C)C)cc1[N+](=O)[O-] ZINC000428056135 388720091 /nfs/dbraw/zinc/72/00/91/388720091.db2.gz SDYCLYOVJLJQAH-UHFFFAOYSA-N 0 0 238.287 2.501 20 5 BFBDRN CCOc1cc(NC2CC2)ccc1[N+](=O)[O-] ZINC000082523334 388728192 /nfs/dbraw/zinc/72/81/92/388728192.db2.gz CPWHYWVAMAIHOJ-UHFFFAOYSA-N 0 0 222.244 2.568 20 5 BFBDRN O=[N+]([O-])c1ccsc1NCc1ccncc1 ZINC000301992924 388728501 /nfs/dbraw/zinc/72/85/01/388728501.db2.gz ODMNTFNRHDIHGY-UHFFFAOYSA-N 0 0 235.268 2.663 20 5 BFBDRN O=[N+]([O-])c1cccc(F)c1COc1ccncc1 ZINC000431495089 388731485 /nfs/dbraw/zinc/73/14/85/388731485.db2.gz OREDQNOZWPUMTD-UHFFFAOYSA-N 0 0 248.213 2.708 20 5 BFBDRN CN(Cc1csc([N+](=O)[O-])c1)[C@@H]1CC1(C)C ZINC000489497071 388733649 /nfs/dbraw/zinc/73/36/49/388733649.db2.gz NSNVZWICDMFXOB-SECBINFHSA-N 0 0 240.328 2.887 20 5 BFBDRN CSCCN(C)c1cc(C)ccc1[N+](=O)[O-] ZINC000446833356 388733738 /nfs/dbraw/zinc/73/37/38/388733738.db2.gz CEVSULATNKPBQP-UHFFFAOYSA-N 0 0 240.328 2.702 20 5 BFBDRN Cc1cn(Cc2cc(C)cc(C)c2)nc1[N+](=O)[O-] ZINC000281162271 388793875 /nfs/dbraw/zinc/79/38/75/388793875.db2.gz LPEHCYQKXHNESB-UHFFFAOYSA-N 0 0 245.282 2.765 20 5 BFBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)NC1(C)CCC1 ZINC000125657561 388801952 /nfs/dbraw/zinc/80/19/52/388801952.db2.gz QTQFPSYTFGPVIR-UHFFFAOYSA-N 0 0 248.282 2.576 20 5 BFBDRN C[C@@H](NCC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000020525880 388775492 /nfs/dbraw/zinc/77/54/92/388775492.db2.gz BDFOJNOCGZEJCB-SSDOTTSWSA-N 0 0 248.204 2.808 20 5 BFBDRN CCCC(=O)Nc1cc([N+](=O)[O-])c(C)cc1F ZINC000282550647 388817544 /nfs/dbraw/zinc/81/75/44/388817544.db2.gz XFBDRUZNSKYPIX-UHFFFAOYSA-N 0 0 240.234 2.781 20 5 BFBDRN O=[N+]([O-])c1ccccc1N1CC[C@H]2CCC[C@@H]21 ZINC000490022647 388844645 /nfs/dbraw/zinc/84/46/45/388844645.db2.gz CRGNUJWVBXYYQO-MNOVXSKESA-N 0 0 232.283 2.974 20 5 BFBDRN O=[N+]([O-])c1ccc(NCCF)c2ncccc12 ZINC000302245736 388841156 /nfs/dbraw/zinc/84/11/56/388841156.db2.gz IGIDQDDSIUJSCJ-UHFFFAOYSA-N 0 0 235.218 2.524 20 5 BFBDRN CSCCN(C)c1cccc(C)c1[N+](=O)[O-] ZINC000302497175 388845559 /nfs/dbraw/zinc/84/55/59/388845559.db2.gz MYVBVLKVZCJRSC-UHFFFAOYSA-N 0 0 240.328 2.702 20 5 BFBDRN CCN(CC1CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000301263356 389000443 /nfs/dbraw/zinc/00/04/43/389000443.db2.gz VNLAYNMRWOGUKJ-UHFFFAOYSA-N 0 0 238.262 2.970 20 5 BFBDRN Cc1c(OC(=O)[C@@H](C)C2CC2)cccc1[N+](=O)[O-] ZINC000178441672 177624493 /nfs/dbraw/zinc/62/44/93/177624493.db2.gz RRJBGUYRLQTVSN-QMMMGPOBSA-N 0 0 249.266 2.855 20 5 BFBDRN Cc1ccnc(N2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000265251491 132181004 /nfs/dbraw/zinc/18/10/04/132181004.db2.gz QUSMCOHZQVIHKP-SECBINFHSA-N 0 0 235.287 2.535 20 5 BFBDRN C[C@@H]1CCCN(c2ncccc2[N+](=O)[O-])[C@H]1C ZINC000266252162 132186293 /nfs/dbraw/zinc/18/62/93/132186293.db2.gz NIISFWYRVOXJEX-ZJUUUORDSA-N 0 0 235.287 2.615 20 5 BFBDRN C[C@@H]1CC[C@H](C)CN1c1ccc([N+](=O)[O-])cn1 ZINC000266432575 132187167 /nfs/dbraw/zinc/18/71/67/132187167.db2.gz DOVYUXYFWKNBTE-VHSXEESVSA-N 0 0 235.287 2.615 20 5 BFBDRN Cc1nc(N2C[C@H](C)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000268498438 132192466 /nfs/dbraw/zinc/19/24/66/132192466.db2.gz PRRHFDRPNMATGW-NXEZZACHSA-N 0 0 249.314 2.923 20 5 BFBDRN Cc1nc(N2C[C@@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000268503734 132192493 /nfs/dbraw/zinc/19/24/93/132192493.db2.gz QSCXCDYDLLJIEN-UWVGGRQHSA-N 0 0 249.314 2.781 20 5 BFBDRN Cc1nc(N2CC[C@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000268433720 132192544 /nfs/dbraw/zinc/19/25/44/132192544.db2.gz BOPNSHASQLACSY-UWVGGRQHSA-N 0 0 249.314 2.923 20 5 BFBDRN Cc1cnc(N2CC[C@H](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000270871254 132197882 /nfs/dbraw/zinc/19/78/82/132197882.db2.gz BRMPGMJOFNFBBA-WDEREUQCSA-N 0 0 249.314 2.781 20 5 BFBDRN Cc1ccnc(N2CC[C@H](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000270942259 132197949 /nfs/dbraw/zinc/19/79/49/132197949.db2.gz KCDYQOIIEWXHIN-ONGXEEELSA-N 0 0 249.314 2.781 20 5 BFBDRN Cc1ccnc(N2CC[C@@H](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000270942255 132198231 /nfs/dbraw/zinc/19/82/31/132198231.db2.gz KCDYQOIIEWXHIN-KOLCDFICSA-N 0 0 249.314 2.781 20 5 BFBDRN Cc1cc(N2CC[C@@H](C)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000270948162 132198234 /nfs/dbraw/zinc/19/82/34/132198234.db2.gz LKNIUBBNNAZPEA-KOLCDFICSA-N 0 0 249.314 2.781 20 5 BFBDRN Cc1nc(N2CC[C@H](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000270951964 132198581 /nfs/dbraw/zinc/19/85/81/132198581.db2.gz MGLQFVMUDIJUFP-VHSXEESVSA-N 0 0 249.314 2.781 20 5 BFBDRN C[C@@H]1CCN(c2ccc(N)cc2[N+](=O)[O-])C[C@@H]1C ZINC000286517595 132215176 /nfs/dbraw/zinc/21/51/76/132215176.db2.gz OAPDNHOUIPJKNG-ZJUUUORDSA-N 0 0 249.314 2.659 20 5 BFBDRN O=[N+]([O-])c1ccc(Cl)cc1N1CCCCO1 ZINC000286657195 132215397 /nfs/dbraw/zinc/21/53/97/132215397.db2.gz LUOUTOINVMCBDB-UHFFFAOYSA-N 0 0 242.662 2.780 20 5 BFBDRN O=[N+]([O-])c1cccnc1N1CCC[C@@H](C2CC2)C1 ZINC000288310186 132216476 /nfs/dbraw/zinc/21/64/76/132216476.db2.gz TWHIFUBFTFTAGR-LLVKDONJSA-N 0 0 247.298 2.616 20 5 BFBDRN Cc1cc(N2CC(C)=C[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000362375437 132281212 /nfs/dbraw/zinc/28/12/12/132281212.db2.gz JAGRVBADYPITHD-SECBINFHSA-N 0 0 247.298 2.701 20 5 BFBDRN O=[N+]([O-])c1cccnc1N1CCC(C2CC2)CC1 ZINC000368027305 132282601 /nfs/dbraw/zinc/28/26/01/132282601.db2.gz URAULYWTIASRFK-UHFFFAOYSA-N 0 0 247.298 2.616 20 5 BFBDRN CCCC(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000040630968 132348098 /nfs/dbraw/zinc/34/80/98/132348098.db2.gz MUNVOTSRPJHUQS-UHFFFAOYSA-N 0 0 248.282 2.674 20 5 BFBDRN CC[C@H]1CCCCN1c1ncccc1[N+](=O)[O-] ZINC000072672584 132397426 /nfs/dbraw/zinc/39/74/26/132397426.db2.gz IMUNBBXGTVOMKK-JTQLQIEISA-N 0 0 235.287 2.759 20 5 BFBDRN Cc1cn(C[C@@H]2CCC[C@@H](C)C2)nc1[N+](=O)[O-] ZINC000407977595 133456218 /nfs/dbraw/zinc/45/62/18/133456218.db2.gz TYRYIBASMPLFIK-MWLCHTKSSA-N 0 0 237.303 2.926 20 5 BFBDRN C[C@@H]1C[C@H]1Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC000162155679 133518418 /nfs/dbraw/zinc/51/84/18/133518418.db2.gz NLVWLSMDKWQRDO-LDYMZIIASA-N 0 0 243.266 2.963 20 5 BFBDRN O=[N+]([O-])c1cccc2c1ccn2Cc1ccon1 ZINC000174160007 134279467 /nfs/dbraw/zinc/27/94/67/134279467.db2.gz JZGJCTLCSAHYDO-UHFFFAOYSA-N 0 0 243.222 2.586 20 5 BFBDRN Cc1c(Nc2ccc([N+](=O)[O-])c(C)c2)cnn1C ZINC000181213314 134333963 /nfs/dbraw/zinc/33/39/63/134333963.db2.gz AZXBZECHDDUWJZ-UHFFFAOYSA-N 0 0 246.270 2.689 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CC=C(C)CC2)n1 ZINC000408171818 134431770 /nfs/dbraw/zinc/43/17/70/134431770.db2.gz OIBCOEWOGDYQMK-UHFFFAOYSA-N 0 0 247.298 2.763 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CCCC[C@H]2C)n1 ZINC000408172216 134432246 /nfs/dbraw/zinc/43/22/46/134432246.db2.gz UAMHNYJXPCRINK-LLVKDONJSA-N 0 0 249.314 2.985 20 5 BFBDRN C[C@@H]1CCC[C@@H]1CNc1ccncc1[N+](=O)[O-] ZINC000230697032 134532153 /nfs/dbraw/zinc/53/21/53/134532153.db2.gz IFAQMFJQZDPMTH-NXEZZACHSA-N 0 0 235.287 2.838 20 5 BFBDRN CN(c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000193418368 134957984 /nfs/dbraw/zinc/95/79/84/134957984.db2.gz ONCQETYLDCBYHN-UHFFFAOYSA-N 0 0 220.272 2.974 20 5 BFBDRN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)CS1 ZINC000086935056 135102620 /nfs/dbraw/zinc/10/26/20/135102620.db2.gz SWWNAUJCGGHQCQ-PSASIEDQSA-N 0 0 238.312 2.901 20 5 BFBDRN C[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000342787916 135318558 /nfs/dbraw/zinc/31/85/58/135318558.db2.gz NJRQWUJFUBAFMQ-DTORHVGOSA-N 0 0 238.262 2.826 20 5 BFBDRN CC1=CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000342774496 135327286 /nfs/dbraw/zinc/32/72/86/135327286.db2.gz DGJJUORRYPMVHG-UHFFFAOYSA-N 0 0 236.246 2.890 20 5 BFBDRN COc1ccc([N+](=O)[O-])c(NCCC2CC2)c1 ZINC000090801885 135554857 /nfs/dbraw/zinc/55/48/57/135554857.db2.gz YTBYEDYSQYTRSS-UHFFFAOYSA-N 0 0 236.271 2.815 20 5 BFBDRN CC1(C)C(Nc2ccc([N+](=O)[O-])cn2)C1(C)C ZINC000092817628 135584412 /nfs/dbraw/zinc/58/44/12/135584412.db2.gz OSOCAKOYPATWPU-UHFFFAOYSA-N 0 0 235.287 2.836 20 5 BFBDRN O=[N+]([O-])c1ccc2c(c1)N(CCC1CC1)CC2 ZINC000348254141 136057074 /nfs/dbraw/zinc/05/70/74/136057074.db2.gz NGMVLHNCOLROLT-UHFFFAOYSA-N 0 0 232.283 2.757 20 5 BFBDRN CC1(C)CC(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000348471323 136079842 /nfs/dbraw/zinc/07/98/42/136079842.db2.gz UAOXUHXWROFBDH-UHFFFAOYSA-N 0 0 248.282 2.970 20 5 BFBDRN CC[C@H](CNc1ccc(C)cc1[N+](=O)[O-])OC ZINC000336729367 397949451 /nfs/dbraw/zinc/94/94/51/397949451.db2.gz XHPXMAANFTZSTQ-SNVBAGLBSA-N 0 0 238.287 2.740 20 5 BFBDRN CC1(C)CC[C@H](Oc2cccc([N+](=O)[O-])c2)C1=O ZINC000412977328 397915118 /nfs/dbraw/zinc/91/51/18/397915118.db2.gz KEYDLSMWGNYZCE-NSHDSACASA-N 0 0 249.266 2.731 20 5 BFBDRN O=[N+]([O-])c1ccc(NCC[C@H]2CCCO2)cc1 ZINC000037981741 397970121 /nfs/dbraw/zinc/97/01/21/397970121.db2.gz INRMSTJFDHNCIO-GFCCVEGCSA-N 0 0 236.271 2.576 20 5 BFBDRN O=[N+]([O-])c1c(NCC2CC2)ccc2ncccc21 ZINC000037378927 398094456 /nfs/dbraw/zinc/09/44/56/398094456.db2.gz ODYGAWICRIEOCD-UHFFFAOYSA-N 0 0 243.266 2.965 20 5 BFBDRN CC(C)CNc1cccc(F)c1[N+](=O)[O-] ZINC000037420471 167016625 /nfs/dbraw/zinc/01/66/25/167016625.db2.gz PPZSXQRMSUBYGA-UHFFFAOYSA-N 0 0 212.224 2.802 20 5 BFBDRN CC(C)CCNc1cc(N)ccc1[N+](=O)[O-] ZINC000192761606 166867535 /nfs/dbraw/zinc/86/75/35/166867535.db2.gz YZIUNSVKFNDMLX-UHFFFAOYSA-N 0 0 223.276 2.635 20 5 BFBDRN Cc1ccnc(N2CCC[C@H](C)CC2)c1[N+](=O)[O-] ZINC000301307189 411131460 /nfs/dbraw/zinc/13/14/60/411131460.db2.gz VLFSTIZDXAUQOE-JTQLQIEISA-N 0 0 249.314 2.925 20 5 BFBDRN CC(C)n1cc(Nc2ccc([N+](=O)[O-])cn2)cn1 ZINC000061683625 167755748 /nfs/dbraw/zinc/75/57/48/167755748.db2.gz CXTZAGNVIGMVTJ-UHFFFAOYSA-N 0 0 247.258 2.511 20 5 BFBDRN CC/C(C)=C/C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000253463275 167825096 /nfs/dbraw/zinc/82/50/96/167825096.db2.gz NOMRBGHMWCAPBR-CMDGGOBGSA-N 0 0 234.255 2.890 20 5 BFBDRN CC1=CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000270387264 168115015 /nfs/dbraw/zinc/11/50/15/168115015.db2.gz XGPPYYLMDPMZIQ-UHFFFAOYSA-N 0 0 238.312 2.808 20 5 BFBDRN CCC(=O)O[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176943943 168249306 /nfs/dbraw/zinc/24/93/06/168249306.db2.gz RESDHGVTBVNVNM-VIFPVBQESA-N 0 0 237.255 2.917 20 5 BFBDRN CCC(=O)Oc1cc([N+](=O)[O-])c(Cl)cc1C ZINC000118296254 168251250 /nfs/dbraw/zinc/25/12/50/168251250.db2.gz SSLBBZWQJUROSV-UHFFFAOYSA-N 0 0 243.646 2.872 20 5 BFBDRN CCC(=O)c1ccc(N(C)C2CC2)c([N+](=O)[O-])c1 ZINC000279987274 168255916 /nfs/dbraw/zinc/25/59/16/168255916.db2.gz GCTVOVAVPHJGEH-UHFFFAOYSA-N 0 0 248.282 2.786 20 5 BFBDRN CCC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000102601811 168268722 /nfs/dbraw/zinc/26/87/22/168268722.db2.gz LMQYWMAUYDINKD-UHFFFAOYSA-N 0 0 236.271 2.970 20 5 BFBDRN Cc1ccc(Oc2nccc(C)c2[N+](=O)[O-])cn1 ZINC000301308284 411437610 /nfs/dbraw/zinc/43/76/10/411437610.db2.gz WLTGTHYAUMGZHE-UHFFFAOYSA-N 0 0 245.238 2.794 20 5 BFBDRN CCOC(C)(C)CNc1ccc([N+](=O)[O-])cc1 ZINC000159513616 170313550 /nfs/dbraw/zinc/31/35/50/170313550.db2.gz NVAYHJQWQLJUGC-UHFFFAOYSA-N 0 0 238.287 2.822 20 5 BFBDRN CCOCCCOc1ccc(C)cc1[N+](=O)[O-] ZINC000126157769 170384012 /nfs/dbraw/zinc/38/40/12/170384012.db2.gz RKZJRWNXMCKCKS-UHFFFAOYSA-N 0 0 239.271 2.709 20 5 BFBDRN CCOc1cc(NCC2CC2)ccc1[N+](=O)[O-] ZINC000111045504 170525860 /nfs/dbraw/zinc/52/58/60/170525860.db2.gz AMOAZGYUDOAKDS-UHFFFAOYSA-N 0 0 236.271 2.815 20 5 BFBDRN CC[C@@H](C)CONc1ccc([N+](=O)[O-])cc1 ZINC000291982405 170712448 /nfs/dbraw/zinc/71/24/48/170712448.db2.gz XEQFSWJSYCSBMO-SECBINFHSA-N 0 0 224.260 2.984 20 5 BFBDRN CC[C@@H](C)Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000073000140 170759260 /nfs/dbraw/zinc/75/92/60/170759260.db2.gz HLIRLGUJTOLUCN-MRVPVSSYSA-N 0 0 209.249 2.509 20 5 BFBDRN CC[C@@H](CNc1c(C)cccc1[N+](=O)[O-])OC ZINC000336732908 170830880 /nfs/dbraw/zinc/83/08/80/170830880.db2.gz ZXBIUHKSFIPWEE-JTQLQIEISA-N 0 0 238.287 2.740 20 5 BFBDRN CC[C@@H]1C[C@@H]1Nc1ncc([N+](=O)[O-])cc1Cl ZINC000227652476 171125052 /nfs/dbraw/zinc/12/50/52/171125052.db2.gz CIKCMLKPHWEQPT-MUWHJKNJSA-N 0 0 241.678 2.854 20 5 BFBDRN CC[C@H](C)CN(C)c1nccc(C)c1[N+](=O)[O-] ZINC000301309693 171275744 /nfs/dbraw/zinc/27/57/44/171275744.db2.gz XXUVOOFHRTXCBM-VIFPVBQESA-N 0 0 237.303 2.781 20 5 BFBDRN CC[C@H](C)CN(CC)c1ncccc1[N+](=O)[O-] ZINC000301484960 171279655 /nfs/dbraw/zinc/27/96/55/171279655.db2.gz GXLASOJLPYLWAS-JTQLQIEISA-N 0 0 237.303 2.862 20 5 BFBDRN CC[C@H](C)CSCCn1cc([N+](=O)[O-])cn1 ZINC000123889131 171293399 /nfs/dbraw/zinc/29/33/99/171293399.db2.gz WIWNGNQCTOAMPX-VIFPVBQESA-N 0 0 243.332 2.571 20 5 BFBDRN CC[C@H](C)C[C@H](C)Nc1c([N+](=O)[O-])ncn1C ZINC000115118946 171297931 /nfs/dbraw/zinc/29/79/31/171297931.db2.gz FSRNITITSKPINT-IUCAKERBSA-N 0 0 240.307 2.565 20 5 BFBDRN CC[C@H](C)Nc1ncc([N+](=O)[O-])cc1C ZINC000052812162 171350443 /nfs/dbraw/zinc/35/04/43/171350443.db2.gz KERBQPGNTOZIDL-QMMMGPOBSA-N 0 0 209.249 2.509 20 5 BFBDRN CC[C@H](C)[C@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000042417181 171392644 /nfs/dbraw/zinc/39/26/44/171392644.db2.gz VQTUZOXDSMYIHU-IUCAKERBSA-N 0 0 223.276 2.836 20 5 BFBDRN CC[C@H]1CCN(c2nc(C)ccc2[N+](=O)[O-])C1 ZINC000129496736 171633237 /nfs/dbraw/zinc/63/32/37/171633237.db2.gz HOYCXBKIDYRQNH-JTQLQIEISA-N 0 0 235.287 2.535 20 5 BFBDRN CN(C(=O)/C=C/C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000266622769 172293187 /nfs/dbraw/zinc/29/31/87/172293187.db2.gz GJIDSOMJSKOGNR-RUDMXATFSA-N 0 0 246.266 2.524 20 5 BFBDRN CN(C(=O)CCC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000115012368 172303655 /nfs/dbraw/zinc/30/36/55/172303655.db2.gz VUOBIWNIOATTGU-UHFFFAOYSA-N 0 0 248.282 2.748 20 5 BFBDRN CN(C(=O)[C@@H]1CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000154322032 172325753 /nfs/dbraw/zinc/32/57/53/172325753.db2.gz RROKCVAQROXRJI-NSHDSACASA-N 0 0 248.282 2.604 20 5 BFBDRN CN(Cc1ccncc1)c1sccc1[N+](=O)[O-] ZINC000301945021 172900752 /nfs/dbraw/zinc/90/07/52/172900752.db2.gz ZZRGKXYKSALXTA-UHFFFAOYSA-N 0 0 249.295 2.688 20 5 BFBDRN CN(c1ncccc1[N+](=O)[O-])C1CCCCC1 ZINC000057366630 172955607 /nfs/dbraw/zinc/95/56/07/172955607.db2.gz OYADQFOUZMVTKJ-UHFFFAOYSA-N 0 0 235.287 2.759 20 5 BFBDRN COCCCCCOc1ccccc1[N+](=O)[O-] ZINC000265325064 174185534 /nfs/dbraw/zinc/18/55/34/174185534.db2.gz VXUAAENMBIJQMS-UHFFFAOYSA-N 0 0 239.271 2.790 20 5 BFBDRN COCCCCNc1c(C)cccc1[N+](=O)[O-] ZINC000112209065 174203880 /nfs/dbraw/zinc/20/38/80/174203880.db2.gz FAOOGEFUAYCFQR-UHFFFAOYSA-N 0 0 238.287 2.742 20 5 BFBDRN COCCCCOc1ccc(F)cc1[N+](=O)[O-] ZINC000089737431 174207134 /nfs/dbraw/zinc/20/71/34/174207134.db2.gz OHDGOLDLPWSWNW-UHFFFAOYSA-N 0 0 243.234 2.539 20 5 BFBDRN COCCCSc1cccc([N+](=O)[O-])c1 ZINC000337758706 174260048 /nfs/dbraw/zinc/26/00/48/174260048.db2.gz NMTFERNQKMBYQS-UHFFFAOYSA-N 0 0 227.285 2.723 20 5 BFBDRN COCCSc1cc(C)c([N+](=O)[O-])cc1F ZINC000292367598 174376720 /nfs/dbraw/zinc/37/67/20/174376720.db2.gz DBAPNLADFRMMJV-UHFFFAOYSA-N 0 0 245.275 2.781 20 5 BFBDRN COCCSc1ccc(C)cc1[N+](=O)[O-] ZINC000269915870 174376841 /nfs/dbraw/zinc/37/68/41/174376841.db2.gz JKXKIHSVJSXWTN-UHFFFAOYSA-N 0 0 227.285 2.642 20 5 BFBDRN COC[C@H](C)SCc1ccccc1[N+](=O)[O-] ZINC000173892123 174555003 /nfs/dbraw/zinc/55/50/03/174555003.db2.gz UGNHURYFUBSSPU-VIFPVBQESA-N 0 0 241.312 2.863 20 5 BFBDRN COc1cc(NCC(C)C)ccc1[N+](=O)[O-] ZINC000082523335 175001615 /nfs/dbraw/zinc/00/16/15/175001615.db2.gz RAXMGQATGSNXIQ-UHFFFAOYSA-N 0 0 224.260 2.671 20 5 BFBDRN COc1ccc([N+](=O)[O-])cc1OC1CCCC1 ZINC000021988524 175200988 /nfs/dbraw/zinc/20/09/88/175200988.db2.gz ASTUOXCHAVHPBJ-UHFFFAOYSA-N 0 0 237.255 2.925 20 5 BFBDRN COc1ccc([N+](=O)[O-])cc1OC1CCC1 ZINC000331967322 175201101 /nfs/dbraw/zinc/20/11/01/175201101.db2.gz KXRJVUZGGTZGPG-UHFFFAOYSA-N 0 0 223.228 2.535 20 5 BFBDRN COc1cccc(NCC[C@@H](C)F)c1[N+](=O)[O-] ZINC000338756097 175279515 /nfs/dbraw/zinc/27/95/15/175279515.db2.gz QRXLDXCWTWRYJS-MRVPVSSYSA-N 0 0 242.250 2.763 20 5 BFBDRN CSCCOc1cc(Cl)ccc1[N+](=O)[O-] ZINC000090999790 175501136 /nfs/dbraw/zinc/50/11/36/175501136.db2.gz HOSVVTVBYLDAQI-UHFFFAOYSA-N 0 0 247.703 2.990 20 5 BFBDRN CSCOc1cccc(Cl)c1[N+](=O)[O-] ZINC000292694875 175510545 /nfs/dbraw/zinc/51/05/45/175510545.db2.gz QEIQKIJPTSISMS-UHFFFAOYSA-N 0 0 233.676 2.948 20 5 BFBDRN C[C@@H]1CCCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000274777777 176064481 /nfs/dbraw/zinc/06/44/81/176064481.db2.gz VRDWNWXYZPVTRJ-SNVBAGLBSA-N 0 0 235.287 2.616 20 5 BFBDRN C[C@@H]1CCCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000190322432 176104262 /nfs/dbraw/zinc/10/42/62/176104262.db2.gz LCLJIMIILVOLEB-MRVPVSSYSA-N 0 0 241.316 2.678 20 5 BFBDRN C[C@@H]1CCC[C@@H](Cn2cnc([N+](=O)[O-])c2)C1 ZINC000185505778 176119262 /nfs/dbraw/zinc/11/92/62/176119262.db2.gz DRYRWTGKOUSAGN-NXEZZACHSA-N 0 0 223.276 2.618 20 5 BFBDRN C[C@@H]1CCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000054269515 176181551 /nfs/dbraw/zinc/18/15/51/176181551.db2.gz NZHXHWFDIQLHFC-MRVPVSSYSA-N 0 0 224.235 2.580 20 5 BFBDRN C[C@@H]1CCN(c2ncccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000301787367 176182311 /nfs/dbraw/zinc/18/23/11/176182311.db2.gz WZRDQVMYMNXXRG-MNOVXSKESA-N 0 0 249.314 2.862 20 5 BFBDRN C[C@@H]1CSC[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000304520067 176354262 /nfs/dbraw/zinc/35/42/62/176354262.db2.gz PFKMHKWGGNEMJK-SCZZXKLOSA-N 0 0 238.312 2.758 20 5 BFBDRN C[C@H](CCCCO)Nc1ccccc1[N+](=O)[O-] ZINC000295623237 176620153 /nfs/dbraw/zinc/62/01/53/176620153.db2.gz AHAKMZUGHUXDEV-SNVBAGLBSA-N 0 0 238.287 2.558 20 5 BFBDRN C[C@H](CO)Sc1ccc([N+](=O)[O-])cc1Cl ZINC000160682277 176709439 /nfs/dbraw/zinc/70/94/39/176709439.db2.gz SJDGJYPXOKBQRB-ZCFIWIBFSA-N 0 0 247.703 2.721 20 5 BFBDRN C[C@H](Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000035208036 176936702 /nfs/dbraw/zinc/93/67/02/176936702.db2.gz AGIJNGUIIYBDRB-CABZTGNLSA-N 0 0 236.271 2.574 20 5 BFBDRN C[C@@H](S/C=C/c1ccc([N+](=O)[O-])o1)[C@H](C)O ZINC000284388120 177005590 /nfs/dbraw/zinc/00/55/90/177005590.db2.gz YTOHJJLJZVPOES-LXBADBFVSA-N 0 0 243.284 2.661 20 5 BFBDRN C[C@@H](O)[C@H](C)Sc1sccc1[N+](=O)[O-] ZINC000302043473 177031223 /nfs/dbraw/zinc/03/12/23/177031223.db2.gz XEANDGOIAYFZTO-RITPCOANSA-N 0 0 233.314 2.518 20 5 BFBDRN C[C@H]1CCCN1c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000278493747 177112313 /nfs/dbraw/zinc/11/23/13/177112313.db2.gz WOBYNOHFCKZURA-VIFPVBQESA-N 0 0 247.298 2.552 20 5 BFBDRN C[C@H]1CCC[C@@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000105385298 177126236 /nfs/dbraw/zinc/12/62/36/177126236.db2.gz GGMNKWNGDQQIPW-ONGXEEELSA-N 0 0 248.282 2.513 20 5 BFBDRN C[C@H]1CCC[C@@H]1Nc1cc(N)ccc1[N+](=O)[O-] ZINC000282170240 177126743 /nfs/dbraw/zinc/12/67/43/177126743.db2.gz IARNPKBDYQFIBZ-WPRPVWTQSA-N 0 0 235.287 2.778 20 5 BFBDRN C[C@H]1CC[C@H]1Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000309375422 177207460 /nfs/dbraw/zinc/20/74/60/177207460.db2.gz CANHPBYMRATWML-POYBYMJQSA-N 0 0 241.678 2.854 20 5 BFBDRN C[C@H]1C[C@@H]1CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000355029890 177342533 /nfs/dbraw/zinc/34/25/33/177342533.db2.gz BYPXXBYRZQQNAK-DTWKUNHWSA-N 0 0 234.255 2.579 20 5 BFBDRN Cc1ccoc1CN(C)c1ccncc1[N+](=O)[O-] ZINC000488722268 225425877 /nfs/dbraw/zinc/42/58/77/225425877.db2.gz OAJFRGXZSQQULR-UHFFFAOYSA-N 0 0 247.254 2.528 20 5 BFBDRN C[C@H](F)CCOc1ccc(F)cc1[N+](=O)[O-] ZINC000505554190 226356706 /nfs/dbraw/zinc/35/67/06/226356706.db2.gz VUJSTVDTUVBQPF-ZETCQYMHSA-N 0 0 231.198 2.861 20 5 BFBDRN C[C@H]1CSC[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000304343785 229348398 /nfs/dbraw/zinc/34/83/98/229348398.db2.gz 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Cc1nc(N[C@H](C)c2ccc[nH]2)ccc1[N+](=O)[O-] ZINC000760273164 585388341 /nfs/dbraw/zinc/38/83/41/585388341.db2.gz PRDJOCINWAFMLY-MRVPVSSYSA-N 0 0 246.270 2.799 20 5 BFBDRN O=[N+]([O-])c1ccc(CN(CCF)C2CC2)cc1 ZINC000764491932 585466818 /nfs/dbraw/zinc/46/68/18/585466818.db2.gz GQWLLWYAOLEYNQ-UHFFFAOYSA-N 0 0 238.262 2.529 20 5 BFBDRN C/C=C(/C)C(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000771481413 585595186 /nfs/dbraw/zinc/59/51/86/585595186.db2.gz OYVPLIZMORWMLB-CLTKARDFSA-N 0 0 239.202 2.606 20 5 BFBDRN O=[N+]([O-])CCSCCCc1ccccc1 ZINC000775189565 585673519 /nfs/dbraw/zinc/67/35/19/585673519.db2.gz COMLQEYZLVHBJK-UHFFFAOYSA-N 0 0 225.313 2.629 20 5 BFBDRN C[C@@H]1CC[C@H](C(=O)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000776285157 585694616 /nfs/dbraw/zinc/69/46/16/585694616.db2.gz MBZFTAFIBXSSRF-ZJUUUORDSA-N 0 0 249.266 2.936 20 5 BFBDRN Cc1cc(C(=O)OCC2(C)CC2)cc([N+](=O)[O-])c1 ZINC000790810779 585706851 /nfs/dbraw/zinc/70/68/51/585706851.db2.gz RHWDINTYTYUQJS-UHFFFAOYSA-N 0 0 249.266 2.860 20 5 BFBDRN CC/C=C\COC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000777298690 585710244 /nfs/dbraw/zinc/71/02/44/585710244.db2.gz WPVLSOJBNRHENI-ARJAWSKDSA-N 0 0 249.266 2.647 20 5 BFBDRN C[C@H](OC(=O)C1=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000779839659 585768499 /nfs/dbraw/zinc/76/84/99/585768499.db2.gz NKOGPCMMHLSMCR-VIFPVBQESA-N 0 0 247.250 2.919 20 5 BFBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H]1C=CCC1 ZINC000780550608 585780517 /nfs/dbraw/zinc/78/05/17/585780517.db2.gz AJNOTSPZJBQARK-LLVKDONJSA-N 0 0 247.250 2.779 20 5 BFBDRN Cc1cccc(C(=O)O[C@@H]2C=CCC2)c1[N+](=O)[O-] ZINC000780553258 585780758 /nfs/dbraw/zinc/78/07/58/585780758.db2.gz LIARDRMXZOFBBH-SNVBAGLBSA-N 0 0 247.250 2.779 20 5 BFBDRN Cc1c(C(=O)O[C@@H]2C=CCC2)cccc1[N+](=O)[O-] ZINC000780556370 585781141 /nfs/dbraw/zinc/78/11/41/585781141.db2.gz DYAAZXOFOMBSJF-SNVBAGLBSA-N 0 0 247.250 2.779 20 5 BFBDRN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OC1CC1 ZINC000783197786 585830220 /nfs/dbraw/zinc/83/02/20/585830220.db2.gz HJBONISJPQTBRP-HJWRWDBZSA-N 0 0 247.250 2.704 20 5 BFBDRN C/C(=C/C(=O)OC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000783202894 585830470 /nfs/dbraw/zinc/83/04/70/585830470.db2.gz WOIUNDMYUAJQTF-HJWRWDBZSA-N 0 0 247.250 2.704 20 5 BFBDRN O=C(OCCC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000783442834 585835221 /nfs/dbraw/zinc/83/52/21/585835221.db2.gz AJOCRNFEVQDWBR-UHFFFAOYSA-N 0 0 249.266 2.942 20 5 BFBDRN CCOCSc1ccc([N+](=O)[O-])cc1F ZINC000788503125 585925864 /nfs/dbraw/zinc/92/58/64/585925864.db2.gz RDRMHVLUNVYOKE-UHFFFAOYSA-N 0 0 231.248 2.820 20 5 BFBDRN O=[N+]([O-])c1ccc(/C=C\Sc2ncc[nH]2)o1 ZINC000789920391 585953193 /nfs/dbraw/zinc/95/31/93/585953193.db2.gz BZEMVANGWSIQBL-UTCJRWHESA-N 0 0 237.240 2.674 20 5 BFBDRN O=[N+]([O-])c1ccc(/C=C\Sc2cccnn2)o1 ZINC000789968367 585954995 /nfs/dbraw/zinc/95/49/95/585954995.db2.gz XCDLGRSXHOKSSJ-ALCCZGGFSA-N 0 0 249.251 2.741 20 5 BFBDRN O=[N+]([O-])c1ccc(Cl)cc1Nc1cn[nH]c1 ZINC000791406987 585980566 /nfs/dbraw/zinc/98/05/66/585980566.db2.gz BFFGTVCAFJWBSZ-UHFFFAOYSA-N 0 0 238.634 2.715 20 5 BFBDRN CC1(C)CC(C(=O)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000794624013 586045926 /nfs/dbraw/zinc/04/59/26/586045926.db2.gz ALZFVAJKEOXPNJ-UHFFFAOYSA-N 0 0 249.266 2.936 20 5 BFBDRN C[C@@H]1C[C@H](C)N1c1c(F)cc([N+](=O)[O-])cc1F ZINC000795193789 586071473 /nfs/dbraw/zinc/07/14/73/586071473.db2.gz KQJPIAPJDNCPIU-KNVOCYPGSA-N 0 0 242.225 2.860 20 5 BFBDRN O=[N+]([O-])c1cncc(Cl)c1OC/C=C\Cl ZINC000795246356 586073522 /nfs/dbraw/zinc/07/35/22/586073522.db2.gz WJEPJLKAFVONEM-UPHRSURJSA-N 0 0 249.053 2.775 20 5 BFBDRN CC1=C[C@H](C)CN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000797438737 586126793 /nfs/dbraw/zinc/12/67/93/586126793.db2.gz HEMCLGICVLMFLT-JTQLQIEISA-N 0 0 232.283 2.997 20 5 BFBDRN C[C@@H](CNc1cc(N)ccc1[N+](=O)[O-])C1CC1 ZINC000800848125 586233677 /nfs/dbraw/zinc/23/36/77/586233677.db2.gz SKPKFWIYJJCJAM-QMMMGPOBSA-N 0 0 235.287 2.635 20 5 BFBDRN CC[C@]1(C)CCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000800860838 586234565 /nfs/dbraw/zinc/23/45/65/586234565.db2.gz SZSLQDVPCXHRAP-CYBMUJFWSA-N 0 0 249.314 2.803 20 5 BFBDRN C[C@@H]1CC[C@H](Nc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000800868669 586235405 /nfs/dbraw/zinc/23/54/05/586235405.db2.gz IEQJRPFJDFYBEN-SCZZXKLOSA-N 0 0 235.287 2.778 20 5 BFBDRN CC[C@H](C)OC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000103663269 586285971 /nfs/dbraw/zinc/28/59/71/586285971.db2.gz NVDLEGYXGDHLCI-VIFPVBQESA-N 0 0 237.255 2.859 20 5 BFBDRN CC[C@@H](C)OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000103665535 586286718 /nfs/dbraw/zinc/28/67/18/586286718.db2.gz DFFFIZLNAVRAIJ-MRVPVSSYSA-N 0 0 223.228 2.550 20 5 BFBDRN CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1C[C@@H]1C ZINC000804380044 586393506 /nfs/dbraw/zinc/39/35/06/586393506.db2.gz FAQXQIPZCGWVFI-WCBMZHEXSA-N 0 0 248.282 2.865 20 5 BFBDRN CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1C[C@H]1C ZINC000804380041 586393784 /nfs/dbraw/zinc/39/37/84/586393784.db2.gz FAQXQIPZCGWVFI-PSASIEDQSA-N 0 0 248.282 2.865 20 5 BFBDRN C[C@H](COC(=O)CCCC1CCCC1)[N+](=O)[O-] ZINC000813104509 586592289 /nfs/dbraw/zinc/59/22/89/586592289.db2.gz NMRZXRPVFJCFHG-SNVBAGLBSA-N 0 0 243.303 2.555 20 5 BFBDRN C[C@H](COC(=O)CCCCC(C)(C)C)[N+](=O)[O-] ZINC000813104176 586592597 /nfs/dbraw/zinc/59/25/97/586592597.db2.gz XLJFZHBITDXYCV-SNVBAGLBSA-N 0 0 245.319 2.801 20 5 BFBDRN C[C@H](CCC(C)(C)C)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813105772 586592645 /nfs/dbraw/zinc/59/26/45/586592645.db2.gz UJGGNBUKTZYAGZ-ZJUUUORDSA-N 0 0 245.319 2.657 20 5 BFBDRN C[C@H](COC(=O)[C@@H](C)CCC(C)(C)C)[N+](=O)[O-] ZINC000813105771 586592744 /nfs/dbraw/zinc/59/27/44/586592744.db2.gz UJGGNBUKTZYAGZ-VHSXEESVSA-N 0 0 245.319 2.657 20 5 BFBDRN CC[C@H](C)CCCCC(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813107212 586592795 /nfs/dbraw/zinc/59/27/95/586592795.db2.gz MPSVYBDAGKLCLC-QWRGUYRKSA-N 0 0 245.319 2.801 20 5 BFBDRN CCCCCC[C@H](C)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813110115 586593176 /nfs/dbraw/zinc/59/31/76/586593176.db2.gz ZPFYWFONWDZTLS-QWRGUYRKSA-N 0 0 245.319 2.801 20 5 BFBDRN CCCCC[C@H](CC)C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813112250 586593594 /nfs/dbraw/zinc/59/35/94/586593594.db2.gz DRPFVUOFLXBEMR-MNOVXSKESA-N 0 0 245.319 2.801 20 5 BFBDRN C[C@H](COC(=O)CC1(C)CCCCC1)[N+](=O)[O-] ZINC000813114025 586594021 /nfs/dbraw/zinc/59/40/21/586594021.db2.gz XVBVHVAEHCELER-SNVBAGLBSA-N 0 0 243.303 2.555 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(C(=O)OC2CC(C)C2)c1 ZINC000813231150 586597796 /nfs/dbraw/zinc/59/77/96/586597796.db2.gz SWJDNVRWGYZUGT-UHFFFAOYSA-N 0 0 249.266 2.859 20 5 BFBDRN Cc1ccoc1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000813626115 586604817 /nfs/dbraw/zinc/60/48/17/586604817.db2.gz SPCZQFDWLYXKOI-UHFFFAOYSA-N 0 0 247.254 2.691 20 5 BFBDRN C[C@H](C[N+](=O)[O-])OC(=O)C[C@@H](C)CC(C)(C)C ZINC000814043098 586612551 /nfs/dbraw/zinc/61/25/51/586612551.db2.gz SXYZYIGJDIWDAF-NXEZZACHSA-N 0 0 245.319 2.657 20 5 BFBDRN CCC1CN(c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000840319076 586621632 /nfs/dbraw/zinc/62/16/32/586621632.db2.gz FJQRXHGPECKBDN-UHFFFAOYSA-N 0 0 220.272 2.749 20 5 BFBDRN CCSCOc1cc([N+](=O)[O-])ccc1C ZINC000814743673 586631594 /nfs/dbraw/zinc/63/15/94/586631594.db2.gz LFOXKSAZAKLXTG-UHFFFAOYSA-N 0 0 227.285 2.993 20 5 BFBDRN C[C@@H]1CC(C)(C)CN1c1cc(N)ccc1[N+](=O)[O-] ZINC000840374767 586931086 /nfs/dbraw/zinc/93/10/86/586931086.db2.gz AIOXBMHXGYHEQM-SECBINFHSA-N 0 0 249.314 2.802 20 5 BFBDRN CC(C)(CCC(=O)O[C@H]1CCC1(C)C)[N+](=O)[O-] ZINC000821828517 587141062 /nfs/dbraw/zinc/14/10/62/587141062.db2.gz MWQKJTTXSGNDKV-VIFPVBQESA-N 0 0 243.303 2.554 20 5 BFBDRN CCCCCCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822347247 587164015 /nfs/dbraw/zinc/16/40/15/587164015.db2.gz YMFFTEOCSWXZCP-UHFFFAOYSA-N 0 0 244.335 2.518 20 5 BFBDRN CCC(C)(CC)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823313921 587216259 /nfs/dbraw/zinc/21/62/59/587216259.db2.gz AKGJZDMUVLXETO-UHFFFAOYSA-N 0 0 244.335 2.517 20 5 BFBDRN CC[C@@H]1C[C@H]1C(=O)Oc1cc([N+](=O)[O-])ccc1C ZINC000835072284 587780243 /nfs/dbraw/zinc/78/02/43/587780243.db2.gz FFNZICDYIMMGMY-MWLCHTKSSA-N 0 0 249.266 2.855 20 5 BFBDRN CC(C)C[C@@H](C)OC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835101246 587783535 /nfs/dbraw/zinc/78/35/35/587783535.db2.gz PFXDGTGWKIJQSA-SNVBAGLBSA-N 0 0 245.319 2.800 20 5 BFBDRN CCCC[C@@H](C)OC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835226461 587790568 /nfs/dbraw/zinc/79/05/68/587790568.db2.gz BITLISHCHNOLND-SNVBAGLBSA-N 0 0 245.319 2.944 20 5 BFBDRN CC[C@H](C)COC(=O)c1cccc([N+](=O)[O-])c1 ZINC000005476767 588223268 /nfs/dbraw/zinc/22/32/68/588223268.db2.gz LNOOBUMGTWCYHH-VIFPVBQESA-N 0 0 237.255 2.798 20 5 BFBDRN CC[C@H](OC(=O)CCC(C)(C)[N+](=O)[O-])C(C)C ZINC000845850432 588247579 /nfs/dbraw/zinc/24/75/79/588247579.db2.gz IEVOHBCFKBYRRD-JTQLQIEISA-N 0 0 245.319 2.800 20 5 BFBDRN CC(C)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])s1 ZINC000849624295 588481104 /nfs/dbraw/zinc/48/11/04/588481104.db2.gz LQIOSTSSMGHYAS-SSDOTTSWSA-N 0 0 243.284 2.858 20 5 BFBDRN CC(C)COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000849953861 588510644 /nfs/dbraw/zinc/51/06/44/588510644.db2.gz MRYDEANIUSTWCA-UHFFFAOYSA-N 0 0 240.215 2.538 20 5 BFBDRN CC1(C)CC[C@H]1C(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000850742251 588563938 /nfs/dbraw/zinc/56/39/38/588563938.db2.gz AKHUQOUSWFZBTL-NSHDSACASA-N 0 0 249.266 2.936 20 5 BFBDRN CC(C)C[C@@H](C)CC(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851126158 588592522 /nfs/dbraw/zinc/59/25/22/588592522.db2.gz OPHIUTXQXJYJTJ-SNVBAGLBSA-N 0 0 245.319 2.657 20 5 BFBDRN CC[C@H](CC(=O)OCC(C)(C)[N+](=O)[O-])C(C)C ZINC000851127408 588592712 /nfs/dbraw/zinc/59/27/12/588592712.db2.gz WNXMBKUVJQEWEF-SNVBAGLBSA-N 0 0 245.319 2.657 20 5 BFBDRN CCCC(CCC)C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851127327 588592761 /nfs/dbraw/zinc/59/27/61/588592761.db2.gz UPOGWKQRJOXGQA-UHFFFAOYSA-N 0 0 245.319 2.801 20 5 BFBDRN CC[C@@H](CC(=O)OCC(C)(C)[N+](=O)[O-])C(C)C ZINC000851127407 588592808 /nfs/dbraw/zinc/59/28/08/588592808.db2.gz WNXMBKUVJQEWEF-JTQLQIEISA-N 0 0 245.319 2.657 20 5 BFBDRN CCCC[C@@](C)(F)C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851130500 588593415 /nfs/dbraw/zinc/59/34/15/588593415.db2.gz UHXKZALNMFJMHJ-LLVKDONJSA-N 0 0 249.282 2.503 20 5 BFBDRN Cc1nn(CC2CC3(CCC3)C2)c(C)c1[N+](=O)[O-] ZINC000865333524 589422035 /nfs/dbraw/zinc/42/20/35/589422035.db2.gz WAIGFUJRRXDLFX-UHFFFAOYSA-N 0 0 249.314 2.988 20 5 BFBDRN CS[C@H]1C[C@H](Nc2sccc2[N+](=O)[O-])C1 ZINC000866101782 589476028 /nfs/dbraw/zinc/47/60/28/589476028.db2.gz ATBIGXCLRIQQQS-LJGSYFOKSA-N 0 0 244.341 2.962 20 5 BFBDRN CC[C@H](C[C@H](C)O)Nc1ccc([N+](=O)[O-])s1 ZINC000866299592 589484867 /nfs/dbraw/zinc/48/48/67/589484867.db2.gz LVWFGEJBRFQYKG-JGVFFNPUSA-N 0 0 244.316 2.618 20 5 BFBDRN CCON(CC)c1ccc([N+](=O)[O-])cc1F ZINC000866306803 589485576 /nfs/dbraw/zinc/48/55/76/589485576.db2.gz NCYRZFMYZIZKMM-UHFFFAOYSA-N 0 0 228.223 2.512 20 5 BFBDRN O=C(OCCCC1CC1)c1ccc([N+](=O)[O-])o1 ZINC000869313696 589597662 /nfs/dbraw/zinc/59/76/62/589597662.db2.gz APPATUSNFNUUGG-UHFFFAOYSA-N 0 0 239.227 2.535 20 5 BFBDRN Cc1c(OC(=O)C2(C)CC2)cccc1[N+](=O)[O-] ZINC000124732434 590079970 /nfs/dbraw/zinc/07/99/70/590079970.db2.gz VMLPGSBLSPHTEW-UHFFFAOYSA-N 0 0 235.239 2.609 20 5 BFBDRN C=C/C=C\CCOc1ncc(C)cc1[N+](=O)[O-] ZINC000877889897 590440336 /nfs/dbraw/zinc/44/03/36/590440336.db2.gz RKUVQSWVWDRKKX-PLNGDYQASA-N 0 0 234.255 2.809 20 5 BFBDRN CC(C)[C@H](C)OC(=O)c1ccccc1[N+](=O)[O-] ZINC000127570201 590713350 /nfs/dbraw/zinc/71/33/50/590713350.db2.gz DFKNNCGIIQHLJZ-VIFPVBQESA-N 0 0 237.255 2.796 20 5 BFBDRN CCON(CC)Cc1c(F)cccc1[N+](=O)[O-] ZINC000879796466 590874311 /nfs/dbraw/zinc/87/43/11/590874311.db2.gz VTJRIBMSVZGSDN-UHFFFAOYSA-N 0 0 242.250 2.507 20 5 BFBDRN CCON(CC)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000879798553 590875979 /nfs/dbraw/zinc/87/59/79/590875979.db2.gz XGLJNEXQFOIPIO-UHFFFAOYSA-N 0 0 238.287 2.677 20 5 BFBDRN CC(C)CCN(C)c1ccnc(F)c1[N+](=O)[O-] ZINC000881830721 591273574 /nfs/dbraw/zinc/27/35/74/591273574.db2.gz HJNXJLHMCJOKBE-UHFFFAOYSA-N 0 0 241.266 2.611 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CCC[C@@H](CF)C2)cc1 ZINC000882800818 591442324 /nfs/dbraw/zinc/44/23/24/591442324.db2.gz QAYGATNGVKLZJY-JTQLQIEISA-N 0 0 238.262 2.781 20 5 BFBDRN O=[N+]([O-])c1cccc(F)c1N1CCC(F)CC1 ZINC000882805409 591445097 /nfs/dbraw/zinc/44/50/97/591445097.db2.gz DSWSIZWEWHMCRF-UHFFFAOYSA-N 0 0 242.225 2.672 20 5 BFBDRN Cc1cc(N2CC[C@H](CF)C2)ccc1[N+](=O)[O-] ZINC000882840780 591450644 /nfs/dbraw/zinc/45/06/44/591450644.db2.gz DVYVDRIUUBDMMZ-SNVBAGLBSA-N 0 0 238.262 2.699 20 5 BFBDRN Cc1cccc(N2CC[C@H](CF)C2)c1[N+](=O)[O-] ZINC000882840335 591451346 /nfs/dbraw/zinc/45/13/46/591451346.db2.gz RDTRZAYBKVDLCP-SNVBAGLBSA-N 0 0 238.262 2.699 20 5 BFBDRN Cc1cc([N+](=O)[O-])ccc1N1CC[C@H](CF)C1 ZINC000882841564 591452026 /nfs/dbraw/zinc/45/20/26/591452026.db2.gz YWYDDIQZOCYFCA-SNVBAGLBSA-N 0 0 238.262 2.699 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N2CC[C@H](CF)C2)c1 ZINC000882841395 591452169 /nfs/dbraw/zinc/45/21/69/591452169.db2.gz UUBBUTODYPGEEL-SNVBAGLBSA-N 0 0 238.262 2.699 20 5 BFBDRN CCCC(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000800150489 591828435 /nfs/dbraw/zinc/82/84/35/591828435.db2.gz QYOIEWZBZMBLHR-UHFFFAOYSA-N 0 0 240.234 2.781 20 5 BFBDRN CN(CCF)c1ncc([N+](=O)[O-])c2ccccc21 ZINC000884517129 591964384 /nfs/dbraw/zinc/96/43/84/591964384.db2.gz DYXWSYLIYZTDFO-UHFFFAOYSA-N 0 0 249.245 2.549 20 5 BFBDRN O=C(O[C@@H]1C=CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000136130928 592098154 /nfs/dbraw/zinc/09/81/54/592098154.db2.gz VAAPVTFKOOAIQH-GFCCVEGCSA-N 0 0 247.250 2.860 20 5 BFBDRN O=C(O[C@H]1C=CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000137393149 592175912 /nfs/dbraw/zinc/17/59/12/592175912.db2.gz WHOONFWOIOVFDY-LBPRGKRZSA-N 0 0 247.250 2.860 20 5 BFBDRN C/C(=C/Cl)CSc1c([N+](=O)[O-])cnn1C ZINC000893654289 635419161 /nfs/dbraw/zinc/41/91/61/635419161.db2.gz JFYUAHRRLVNPAK-UTCJRWHESA-N 0 0 247.707 2.563 20 5 BFBDRN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)OCC1CC1 ZINC000255319876 631217395 /nfs/dbraw/zinc/21/73/95/631217395.db2.gz MSGQRHJQUXWQEC-YVMONPNESA-N 0 0 247.250 2.561 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(Oc2ccc(F)nc2)n1 ZINC000178776809 635690123 /nfs/dbraw/zinc/69/01/23/635690123.db2.gz LLKXSSLTYMJJCJ-UHFFFAOYSA-N 0 0 249.201 2.625 20 5 BFBDRN O=[N+]([O-])c1ncccc1OC/C(Cl)=C\Cl ZINC000255505769 631835566 /nfs/dbraw/zinc/83/55/66/631835566.db2.gz NWFZRPZNJYOHTB-GQCTYLIASA-N 0 0 249.053 2.688 20 5 BFBDRN CC(C)=CCOC(=O)c1ccccc1[N+](=O)[O-] ZINC000121937123 632014820 /nfs/dbraw/zinc/01/48/20/632014820.db2.gz SJYCRFWZMGPDLG-UHFFFAOYSA-N 0 0 235.239 2.718 20 5 BFBDRN O=[N+]([O-])c1cc(NCCC2CC2)ccc1F ZINC000310041183 632697184 /nfs/dbraw/zinc/69/71/84/632697184.db2.gz YINYJCOVBDFJPI-UHFFFAOYSA-N 0 0 224.235 2.946 20 5 BFBDRN Cc1nn(Cc2ccccc2CF)cc1[N+](=O)[O-] ZINC000901549600 637262363 /nfs/dbraw/zinc/26/23/63/637262363.db2.gz TYHXUYYSUXSHBW-UHFFFAOYSA-N 0 0 249.245 2.618 20 5 BFBDRN CC(C)(C)c1ncc(-c2ccc([N+](=O)[O-])nc2)o1 ZINC000904800098 637491090 /nfs/dbraw/zinc/49/10/90/637491090.db2.gz VFAWGDLJPNNDNA-UHFFFAOYSA-N 0 0 247.254 2.942 20 5 BFBDRN CC[C@H](C)Oc1cccc(NCC[N+](=O)[O-])c1 ZINC000905316841 637743720 /nfs/dbraw/zinc/74/37/20/637743720.db2.gz YDNHUKPMJBFHEE-JTQLQIEISA-N 0 0 238.287 2.553 20 5 BFBDRN O=C(OCc1ccoc1)c1cccc([N+](=O)[O-])c1 ZINC000170720875 640915957 /nfs/dbraw/zinc/91/59/57/640915957.db2.gz XIIYFGAOZQQMRU-UHFFFAOYSA-N 0 0 247.206 2.545 20 5 BFBDRN CC(C)COC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000061389211 640959651 /nfs/dbraw/zinc/95/96/51/640959651.db2.gz QJJYJZMGHZJXNA-UHFFFAOYSA-N 0 0 241.218 2.547 20 5 BFBDRN C[Si](C)(C)COc1ccc([N+](=O)[O-])cc1F ZINC000199966617 641049430 /nfs/dbraw/zinc/04/94/30/641049430.db2.gz FKNHJHHSRXFCCD-UHFFFAOYSA-N 0 0 243.310 2.990 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(C(=O)OCC2CCC2)c1 ZINC000174526651 641300304 /nfs/dbraw/zinc/30/03/04/641300304.db2.gz DTWIVDVBZKJGRF-UHFFFAOYSA-N 0 0 249.266 2.860 20 5 BFBDRN CC(C)=CC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000075290286 641752431 /nfs/dbraw/zinc/75/24/31/641752431.db2.gz FVGRXSAHOJOODW-UHFFFAOYSA-N 0 0 234.255 2.808 20 5 BFBDRN C[C@H](OC(=O)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000914949232 641785784 /nfs/dbraw/zinc/78/57/84/641785784.db2.gz MUEKHKJGUCODRO-VIFPVBQESA-N 0 0 249.266 2.999 20 5 BFBDRN C[C@@H](OC(=O)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000914949231 641786157 /nfs/dbraw/zinc/78/61/57/641786157.db2.gz MUEKHKJGUCODRO-SECBINFHSA-N 0 0 249.266 2.999 20 5 BFBDRN C[C@H](C1CC1)N(C)c1ccc([N+](=O)[O-])cc1F ZINC000915212192 641808858 /nfs/dbraw/zinc/80/88/58/641808858.db2.gz CGHNGOLIJLYQKA-MRVPVSSYSA-N 0 0 238.262 2.969 20 5 BFBDRN O=[N+]([O-])c1ccc(NCCOC2CCC2)cc1 ZINC000078517135 641931063 /nfs/dbraw/zinc/93/10/63/641931063.db2.gz TYRPIRYBUGRGLR-UHFFFAOYSA-N 0 0 236.271 2.576 20 5 BFBDRN Cc1cc([N+](=O)[O-])cn(C2CC3(CCC3)C2)c1=O ZINC000917321984 642043487 /nfs/dbraw/zinc/04/34/87/642043487.db2.gz XRXQJPIGTNCKEM-UHFFFAOYSA-N 0 0 248.282 2.570 20 5 BFBDRN C[C@@H](Cn1ccnc1[N+](=O)[O-])c1ccccc1 ZINC000918368534 642188338 /nfs/dbraw/zinc/18/83/38/642188338.db2.gz LUMIATUDBFKERB-JTQLQIEISA-N 0 0 231.255 2.595 20 5 BFBDRN O=[N+]([O-])c1nccn1CCCC1CCCC1 ZINC000918368059 642189663 /nfs/dbraw/zinc/18/96/63/642189663.db2.gz CTWSYYMUMDQORW-UHFFFAOYSA-N 0 0 223.276 2.762 20 5 BFBDRN C[C@H]1CCC[C@H](Cn2ccnc2[N+](=O)[O-])C1 ZINC000918379517 642192051 /nfs/dbraw/zinc/19/20/51/642192051.db2.gz ZMXNCGVLHICAFR-UWVGGRQHSA-N 0 0 223.276 2.618 20 5 BFBDRN CCCCCCNc1cccnc1[N+](=O)[O-] ZINC000156936142 642340896 /nfs/dbraw/zinc/34/08/96/642340896.db2.gz RCHOVOUWSNTZOL-UHFFFAOYSA-N 0 0 223.276 2.982 20 5 BFBDRN O=[N+]([O-])c1cccc(OC/C=C\Cl)c1 ZINC000255297988 642378370 /nfs/dbraw/zinc/37/83/70/642378370.db2.gz ZGXFHYUTIOVMHQ-DJWKRKHSSA-N 0 0 213.620 2.726 20 5 BFBDRN CC/C=C(\C)C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000920505965 642516746 /nfs/dbraw/zinc/51/67/46/642516746.db2.gz DXBUJPRHTVIADT-UXBLZVDNSA-N 0 0 249.266 2.994 20 5 BFBDRN COc1ccc(OC/C=C\Cl)c([N+](=O)[O-])c1 ZINC000255003128 643218220 /nfs/dbraw/zinc/21/82/20/643218220.db2.gz ZDVGUMTXUFQQEY-DJWKRKHSSA-N 0 0 243.646 2.735 20 5 BFBDRN O=C(OC1(C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000083771105 643680221 /nfs/dbraw/zinc/68/02/21/643680221.db2.gz MTIRPTIPRZOCQQ-UHFFFAOYSA-N 0 0 247.250 2.694 20 5 BFBDRN O=[N+]([O-])c1ccc(Cl)cc1OCCF ZINC000078964725 643883865 /nfs/dbraw/zinc/88/38/65/643883865.db2.gz MWVFIOYCRVMOHX-UHFFFAOYSA-N 0 0 219.599 2.597 20 5 BFBDRN CCCCOC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000073716458 644001620 /nfs/dbraw/zinc/00/16/20/644001620.db2.gz MSMSPKVZUBNURQ-UHFFFAOYSA-N 0 0 237.255 2.860 20 5 BFBDRN O=[N+]([O-])c1ccc(NCCF)c(C(F)F)c1 ZINC000304272342 644152462 /nfs/dbraw/zinc/15/24/62/644152462.db2.gz KVKOSQQYTPRBLG-UHFFFAOYSA-N 0 0 234.177 2.914 20 5 BFBDRN CC[C@@H](C)OC(=O)c1ccccc1[N+](=O)[O-] ZINC000008479517 644176843 /nfs/dbraw/zinc/17/68/43/644176843.db2.gz HHXVOYMJQTWAPD-MRVPVSSYSA-N 0 0 223.228 2.550 20 5 BFBDRN COc1cccc([N+](=O)[O-])c1N[C@H]1C=CCC1 ZINC000853799525 645497972 /nfs/dbraw/zinc/49/79/72/645497972.db2.gz INDZYIFDKDUPDE-VIFPVBQESA-N 0 0 234.255 2.734 20 5 BFBDRN O=[N+]([O-])c1cccc([N+](=O)[O-])c1N[C@@H]1C=CCC1 ZINC000853798961 645498266 /nfs/dbraw/zinc/49/82/66/645498266.db2.gz VNTWWKHILPLDIL-MRVPVSSYSA-N 0 0 249.226 2.634 20 5 BFBDRN CCCC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000928247283 645718506 /nfs/dbraw/zinc/71/85/06/645718506.db2.gz UGBYBEYUUHCFAK-SECBINFHSA-N 0 0 236.271 2.572 20 5 BFBDRN CC(C)=CC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000928246860 645718787 /nfs/dbraw/zinc/71/87/87/645718787.db2.gz LZVKGOLLEUGMCN-SNVBAGLBSA-N 0 0 248.282 2.738 20 5 BFBDRN Cc1ccc(OC(=O)CC(C)C)c([N+](=O)[O-])c1 ZINC000060733955 711542837 /nfs/dbraw/zinc/54/28/37/711542837.db2.gz NQHQFRQAEMGQAJ-UHFFFAOYSA-N 0 0 237.255 2.855 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@H]2CC23CCC3)cc1 ZINC000721224608 712899475 /nfs/dbraw/zinc/89/94/75/712899475.db2.gz DBNNHXGEPSBSKX-NSHDSACASA-N 0 0 218.256 2.949 20 5 BFBDRN Cc1ccc(OC(=O)c2ccoc2)c([N+](=O)[O-])c1 ZINC000053285127 711704727 /nfs/dbraw/zinc/70/47/27/711704727.db2.gz ZUNDMSMQSWLSNU-UHFFFAOYSA-N 0 0 247.206 2.715 20 5 BFBDRN O=C(OCC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000126816349 711775954 /nfs/dbraw/zinc/77/59/54/711775954.db2.gz IGVHMTBZABIVAY-UHFFFAOYSA-N 0 0 249.266 2.942 20 5 BFBDRN COCCCOc1cc([N+](=O)[O-])ccc1Cl ZINC000087543486 711837276 /nfs/dbraw/zinc/83/72/76/711837276.db2.gz LZMFKCHZQAEKKN-UHFFFAOYSA-N 0 0 245.662 2.664 20 5 BFBDRN O=[N+]([O-])c1ccc(OCCC2CC2)cc1F ZINC000087543392 711837313 /nfs/dbraw/zinc/83/73/13/711837313.db2.gz SFSPFJPBPZBZSX-UHFFFAOYSA-N 0 0 225.219 2.913 20 5 BFBDRN Cc1c(C(=O)OC2CCC2)cccc1[N+](=O)[O-] ZINC000079169287 711957650 /nfs/dbraw/zinc/95/76/50/711957650.db2.gz ZWVICHHSRIYMCF-UHFFFAOYSA-N 0 0 235.239 2.613 20 5 BFBDRN CC(=O)c1ccc(N2C[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000706827388 712156674 /nfs/dbraw/zinc/15/66/74/712156674.db2.gz ROVAUKDDHXTJGM-DTWKUNHWSA-N 0 0 248.282 2.642 20 5 BFBDRN CC(=O)c1ccc(N2C[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000706827387 712156738 /nfs/dbraw/zinc/15/67/38/712156738.db2.gz ROVAUKDDHXTJGM-BDAKNGLRSA-N 0 0 248.282 2.642 20 5 BFBDRN C=C/C=C/CCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000713506363 712464052 /nfs/dbraw/zinc/46/40/52/712464052.db2.gz SFWLCXSBIVLBJM-SNAWJCMRSA-N 0 0 233.271 2.842 20 5 BFBDRN CC[C@H](C[C@@H](C)O)Nc1ccccc1[N+](=O)[O-] ZINC000716889764 712580948 /nfs/dbraw/zinc/58/09/48/712580948.db2.gz LNXAGCFVNULGHX-NXEZZACHSA-N 0 0 238.287 2.556 20 5 BFBDRN C[C@H](OCCF)c1ccccc1[N+](=O)[O-] ZINC001224674009 964870781 /nfs/dbraw/zinc/87/07/81/964870781.db2.gz MAAUHADTDSUXFE-QMMMGPOBSA-N 0 0 213.208 2.642 20 5 BFBDRN CC[C@H](C)C[C@@H](C)Nc1cnc([N+](=O)[O-])cn1 ZINC001168693846 967404545 /nfs/dbraw/zinc/40/45/45/967404545.db2.gz NNAJZGBPAJVETC-DTWKUNHWSA-N 0 0 238.291 2.621 20 5 BFBDRN CC[C@H](Oc1ncc([N+](=O)[O-])cn1)C(C)(C)C ZINC001226732911 975052377 /nfs/dbraw/zinc/05/23/77/975052377.db2.gz BGRPTJUXECVEGF-VIFPVBQESA-N 0 0 239.275 2.588 20 5 BFBDRN CC[C@@H](COc1c(C)cccc1[N+](=O)[O-])OC ZINC001226970672 975195324 /nfs/dbraw/zinc/19/53/24/975195324.db2.gz BYIYYVMQEJERJS-JTQLQIEISA-N 0 0 239.271 2.707 20 5 BFBDRN O=[N+]([O-])c1cc(O)cc(Nc2cscn2)c1 ZINC001199814862 983024484 /nfs/dbraw/zinc/02/44/84/983024484.db2.gz PBSIGODNOSNGGA-UHFFFAOYSA-N 0 0 237.240 2.501 20 5 BFBDRN C[C@@H](Oc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC001225913584 974728205 /nfs/dbraw/zinc/72/82/05/974728205.db2.gz WNOPBXDGWNUVGB-SSDOTTSWSA-N 0 0 225.219 2.911 20 5 BFBDRN O=[N+]([O-])c1ccccc1CO[C@H]1C=CCC1 ZINC001222760168 972687688 /nfs/dbraw/zinc/68/76/88/972687688.db2.gz LJRQGCTWDWYZGI-NSHDSACASA-N 0 0 219.240 2.830 20 5 BFBDRN CCCCCCNc1c(C)cncc1[N+](=O)[O-] ZINC001257807793 971498659 /nfs/dbraw/zinc/49/86/59/971498659.db2.gz RLQYNUYBSAQRTA-UHFFFAOYSA-N 0 0 237.303 2.712 20 5 BFBDRN CCC=CNc1cnc(Cl)cc1[N+](=O)[O-] ZINC001170766067 971755914 /nfs/dbraw/zinc/75/59/14/971755914.db2.gz BULTWTQKPZOPEM-ONEGZZNKSA-N 0 0 227.651 2.979 20 5 BFBDRN CCC=CNc1ccc(N(C)C)cc1[N+](=O)[O-] ZINC001170767744 971760934 /nfs/dbraw/zinc/76/09/34/971760934.db2.gz VTFGCYAEVQRTHH-VMPITWQZSA-N 0 0 235.287 2.996 20 5 BFBDRN CO[C@H](C)CCOc1ccc(F)c([N+](=O)[O-])c1 ZINC001225382522 974458393 /nfs/dbraw/zinc/45/83/93/974458393.db2.gz PJEYDIVZNBAWGG-MRVPVSSYSA-N 0 0 243.234 2.538 20 5 BFBDRN CCC=CNc1cccc2ncc([N+](=O)[O-])n21 ZINC001170774031 971796924 /nfs/dbraw/zinc/79/69/24/971796924.db2.gz TUVQVSSINJBSQU-XVNBXDOJSA-N 0 0 232.243 2.578 20 5 BFBDRN CCC[C@H](CC)Oc1cccnc1[N+](=O)[O-] ZINC001225628108 974605110 /nfs/dbraw/zinc/60/51/10/974605110.db2.gz CRRGOYVXGRPBDI-VIFPVBQESA-N 0 0 224.260 2.947 20 5 BFBDRN CC[C@H](COC)Oc1cccc(C)c1[N+](=O)[O-] ZINC001225631018 974608161 /nfs/dbraw/zinc/60/81/61/974608161.db2.gz CFUDVTZYWOEDPY-SNVBAGLBSA-N 0 0 239.271 2.707 20 5 BFBDRN CCCC[C@@H](C)Oc1ccc([N+](=O)[O-])cn1 ZINC001225632369 974606520 /nfs/dbraw/zinc/60/65/20/974606520.db2.gz KIUFHVWUZQEYFQ-SECBINFHSA-N 0 0 224.260 2.947 20 5 BFBDRN CCCC=Nc1nc(C)cc(OC)c1[N+](=O)[O-] ZINC001159668690 972012123 /nfs/dbraw/zinc/01/21/23/972012123.db2.gz XJYBOIXMHCDUOK-AATRIKPKSA-N 0 0 237.259 2.642 20 5 BFBDRN CO[C@@H](C)CCOc1cccc(F)c1[N+](=O)[O-] ZINC001225666250 974635221 /nfs/dbraw/zinc/63/52/21/974635221.db2.gz HPXPHUKEKWIZFN-QMMMGPOBSA-N 0 0 243.234 2.538 20 5 BFBDRN 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CC[C@@H](C)O[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001204611077 959392518 /nfs/dbraw/zinc/39/25/18/959392518.db2.gz JAZACCJRBIGDJH-RNCFNFMXSA-N 0 0 235.283 2.877 20 5 BFBDRN CCCCOC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000106145685 960700496 /nfs/dbraw/zinc/70/04/96/960700496.db2.gz KREJELLTEFUWRH-UHFFFAOYSA-N 0 0 237.255 2.860 20 5 BFBDRN C[C@@H]1CCCN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000178871240 962175854 /nfs/dbraw/zinc/17/58/54/962175854.db2.gz GBWFSKFOEZGEJL-SSDOTTSWSA-N 0 0 242.225 2.862 20 5 BFBDRN CC[C@@H](C)[C@H](C)Oc1ncccc1[N+](=O)[O-] ZINC001225593150 962356188 /nfs/dbraw/zinc/35/61/88/962356188.db2.gz KYNVXLMTEYVSLY-BDAKNGLRSA-N 0 0 224.260 2.803 20 5 BFBDRN CC[C@@H](C)Oc1cc([N+](=O)[O-])ccc1OC ZINC001225612154 962418550 /nfs/dbraw/zinc/41/85/50/962418550.db2.gz CHEQAOVUAQDAAV-MRVPVSSYSA-N 0 0 225.244 2.781 20 5 BFBDRN COc1ccc([N+](=O)[O-])cc1O[C@@H]1C=CCC1 ZINC001225614187 962426110 /nfs/dbraw/zinc/42/61/10/962426110.db2.gz AJJMCOKXMAPYAW-SNVBAGLBSA-N 0 0 235.239 2.701 20 5 BFBDRN 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Cc1cnc(N2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000078624685 344891354 /nfs/dbraw/zinc/89/13/54/344891354.db2.gz OCKOYZXDXMZRQC-SNVBAGLBSA-N 0 0 235.287 2.677 20 5 BFBDRN Cc1cnc(N2C[C@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000078666461 344893718 /nfs/dbraw/zinc/89/37/18/344893718.db2.gz OWOXUKFLQROTHY-ZJUUUORDSA-N 0 0 235.287 2.533 20 5 BFBDRN Cc1cnc(N2CCC[C@H](C)CC2)c([N+](=O)[O-])c1 ZINC000078655628 344893786 /nfs/dbraw/zinc/89/37/86/344893786.db2.gz VBVGFFTZFSSCFW-JTQLQIEISA-N 0 0 249.314 2.925 20 5 BFBDRN Cc1cnc(N2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000078670856 344897064 /nfs/dbraw/zinc/89/70/64/344897064.db2.gz ZCPFZGROIGKPBG-UHFFFAOYSA-N 0 0 235.287 2.535 20 5 BFBDRN C[C@H]1C[C@H]1COc1ccc([N+](=O)[O-])cc1 ZINC000166663267 344954381 /nfs/dbraw/zinc/95/43/81/344954381.db2.gz GUSDTTWUOWIVKV-IUCAKERBSA-N 0 0 207.229 2.630 20 5 BFBDRN C[C@H]1SCC[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000235615157 344955259 /nfs/dbraw/zinc/95/52/59/344955259.db2.gz QUFFTKTTZSPPAW-BDAKNGLRSA-N 0 0 238.312 2.901 20 5 BFBDRN C[C@H]1SCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000235613161 344955598 /nfs/dbraw/zinc/95/55/98/344955598.db2.gz DUPSVNFQFHZWSL-KCJUWKMLSA-N 0 0 238.312 2.901 20 5 BFBDRN CCOc1cccc(N2CC=CCC2)c1[N+](=O)[O-] ZINC000613048961 344944953 /nfs/dbraw/zinc/94/49/53/344944953.db2.gz HOXIDBZRKXSXOA-UHFFFAOYSA-N 0 0 248.282 2.760 20 5 BFBDRN Cc1ccc(N2CCCCCO2)c([N+](=O)[O-])c1 ZINC000408289592 345052863 /nfs/dbraw/zinc/05/28/63/345052863.db2.gz FAHLUAPIWSONBH-UHFFFAOYSA-N 0 0 236.271 2.825 20 5 BFBDRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1C[C@H]1C1CC1 ZINC000176547673 345052867 /nfs/dbraw/zinc/05/28/67/345052867.db2.gz YLMCDZLFPGHHDQ-RYUDHWBXSA-N 0 0 246.266 2.579 20 5 BFBDRN Cc1ccc(N(C)CC2CC2)c([N+](=O)[O-])c1 ZINC000080579393 345310528 /nfs/dbraw/zinc/31/05/28/345310528.db2.gz IYRHKLALJZTGME-UHFFFAOYSA-N 0 0 220.272 2.749 20 5 BFBDRN O=[N+]([O-])c1cnc(N[C@H]2CC23CC3)c(Cl)c1 ZINC000425274114 192087539 /nfs/dbraw/zinc/08/75/39/192087539.db2.gz QLAIHVZRFGSPJC-QMMMGPOBSA-N 0 0 239.662 2.608 20 5 BFBDRN C[C@@H]1CN(c2ncccc2[N+](=O)[O-])C(C)(C)C1 ZINC000080684167 345429352 /nfs/dbraw/zinc/42/93/52/345429352.db2.gz IPRBXEPMLFTLIR-VIFPVBQESA-N 0 0 235.287 2.615 20 5 BFBDRN Cc1cc(N2C[C@@H](C)CC2(C)C)ncc1[N+](=O)[O-] ZINC000080684399 345430661 /nfs/dbraw/zinc/43/06/61/345430661.db2.gz LJUJSYFDOSAVTL-VIFPVBQESA-N 0 0 249.314 2.923 20 5 BFBDRN Cc1ocnc1CNc1ccc([N+](=O)[O-])cc1 ZINC000092692330 345635969 /nfs/dbraw/zinc/63/59/69/345635969.db2.gz BDMGEWCBWWSVMN-UHFFFAOYSA-N 0 0 233.227 2.503 20 5 BFBDRN COc1ccc([N+](=O)[O-])c(N2CCCCC2)c1 ZINC000142975276 345702371 /nfs/dbraw/zinc/70/23/71/345702371.db2.gz XSCJWKMUFWTKLZ-UHFFFAOYSA-N 0 0 236.271 2.594 20 5 BFBDRN CC[C@@H](F)COc1ccc([N+](=O)[O-])cc1 ZINC000145073349 345709302 /nfs/dbraw/zinc/70/93/02/345709302.db2.gz NGLZSRVGDYWGSM-MRVPVSSYSA-N 0 0 213.208 2.722 20 5 BFBDRN CC[C@H](F)COc1ccc([N+](=O)[O-])cc1 ZINC000145064070 345709378 /nfs/dbraw/zinc/70/93/78/345709378.db2.gz NGLZSRVGDYWGSM-QMMMGPOBSA-N 0 0 213.208 2.722 20 5 BFBDRN Cc1cc([N+](=O)[O-])ccc1N1CC[C@H](C)C1 ZINC000167120167 345722352 /nfs/dbraw/zinc/72/23/52/345722352.db2.gz FHAWIZYJRKXCAS-VIFPVBQESA-N 0 0 220.272 2.749 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2C)c1 ZINC000267777199 178926818 /nfs/dbraw/zinc/92/68/18/178926818.db2.gz SCASPWGTTNQYOG-JTQLQIEISA-N 0 0 248.282 2.528 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)C2CCC2)c1 ZINC000172691718 178926831 /nfs/dbraw/zinc/92/68/31/178926831.db2.gz KQKRJOJQCKDTKA-UHFFFAOYSA-N 0 0 248.282 2.528 20 5 BFBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cn1)C(C)(C)C ZINC000085705300 347088102 /nfs/dbraw/zinc/08/81/02/347088102.db2.gz JDUYOJLRTWISNH-MRVPVSSYSA-N 0 0 223.276 2.836 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(OCCOC(C)C)c1 ZINC000121782830 178930676 /nfs/dbraw/zinc/93/06/76/178930676.db2.gz UBPRLSZSSREPJQ-UHFFFAOYSA-N 0 0 239.271 2.707 20 5 BFBDRN C/C=C(\CC)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000188591154 187312711 /nfs/dbraw/zinc/31/27/11/187312711.db2.gz SGQDECPCMRAFDZ-XCVCLJGOSA-N 0 0 248.282 2.567 20 5 BFBDRN C/C=C(\CC)C(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000190805960 187313837 /nfs/dbraw/zinc/31/38/37/187313837.db2.gz QFIANEYPWAUYTA-YCRREMRBSA-N 0 0 235.239 2.857 20 5 BFBDRN CC[C@@H]1C[C@H]1C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000410677217 346204704 /nfs/dbraw/zinc/20/47/04/346204704.db2.gz YUVZINPVUUVYRN-MWLCHTKSSA-N 0 0 248.282 2.888 20 5 BFBDRN CCCOC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000057950825 346205008 /nfs/dbraw/zinc/20/50/08/346205008.db2.gz XZXBUYBLSCBOQP-UHFFFAOYSA-N 0 0 243.646 2.815 20 5 BFBDRN CC(C)[C@@H]1CCCN(c2ccncc2[N+](=O)[O-])C1 ZINC000614830594 346214061 /nfs/dbraw/zinc/21/40/61/346214061.db2.gz QCIVHTDJIDIGJD-LLVKDONJSA-N 0 0 249.314 2.862 20 5 BFBDRN CC(C)[C@@H]1CCCN(c2cccnc2[N+](=O)[O-])C1 ZINC000614830236 346214314 /nfs/dbraw/zinc/21/43/14/346214314.db2.gz RLITURXUKBPPIN-LLVKDONJSA-N 0 0 249.314 2.862 20 5 BFBDRN Cc1cccc(CNc2cccnc2[N+](=O)[O-])c1 ZINC000083371309 179102726 /nfs/dbraw/zinc/10/27/26/179102726.db2.gz MMLQVVVUHZWILR-UHFFFAOYSA-N 0 0 243.266 2.910 20 5 BFBDRN O=[N+]([O-])c1cc(F)ccc1N1CCC[C@@H]2C[C@@H]21 ZINC000588066548 346631415 /nfs/dbraw/zinc/63/14/15/346631415.db2.gz RLFYHNXPSGGEDG-KCJUWKMLSA-N 0 0 236.246 2.723 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]3C[C@H]32)c1 ZINC000588066358 346631419 /nfs/dbraw/zinc/63/14/19/346631419.db2.gz LUFLZUJKCXHHDZ-CMPLNLGQSA-N 0 0 232.283 2.892 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]3C[C@@H]32)n1 ZINC000588066742 346631773 /nfs/dbraw/zinc/63/17/73/346631773.db2.gz XJINHBAVTQDMDE-MNOVXSKESA-N 0 0 247.298 2.595 20 5 BFBDRN O=[N+]([O-])c1cccc(F)c1N1CC(C2CC2)C1 ZINC000589695358 346727805 /nfs/dbraw/zinc/72/78/05/346727805.db2.gz DQFGVXBSCZVFDY-UHFFFAOYSA-N 0 0 236.246 2.580 20 5 BFBDRN CSCCCN(C)c1ccc([N+](=O)[O-])s1 ZINC000589597787 346718197 /nfs/dbraw/zinc/71/81/97/346718197.db2.gz KANLWOZKZSDGQV-UHFFFAOYSA-N 0 0 246.357 2.846 20 5 BFBDRN COc1cc(N2CCC3(CC3)C2)ccc1[N+](=O)[O-] ZINC000589599812 346718982 /nfs/dbraw/zinc/71/89/82/346718982.db2.gz LYHLYGRBNPOFKO-UHFFFAOYSA-N 0 0 248.282 2.594 20 5 BFBDRN Cc1cccc(NCC2=CCCOC2)c1[N+](=O)[O-] ZINC000288678752 179144178 /nfs/dbraw/zinc/14/41/78/179144178.db2.gz ZRUVJKIWWDIEAF-UHFFFAOYSA-N 0 0 248.282 2.662 20 5 BFBDRN Cc1ncccc1COc1ccc([N+](=O)[O-])cc1 ZINC000589262596 346682190 /nfs/dbraw/zinc/68/21/90/346682190.db2.gz FFSQDPOFACCPBZ-UHFFFAOYSA-N 0 0 244.250 2.877 20 5 BFBDRN Cc1ccnc(CNc2ccc([N+](=O)[O-])s2)c1 ZINC000590145615 346780648 /nfs/dbraw/zinc/78/06/48/346780648.db2.gz DUMAKIJHVNUSCN-UHFFFAOYSA-N 0 0 249.295 2.972 20 5 BFBDRN Cc1cc(N2CC=CCC2)c(F)cc1[N+](=O)[O-] ZINC000589690306 346730185 /nfs/dbraw/zinc/73/01/85/346730185.db2.gz KEYHGUDXBLGZEN-UHFFFAOYSA-N 0 0 236.246 2.809 20 5 BFBDRN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])s2)CCO1 ZINC000309768020 347159294 /nfs/dbraw/zinc/15/92/94/347159294.db2.gz JXNKAFBCQAZADQ-HTQZYQBOSA-N 0 0 242.300 2.636 20 5 BFBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC1(C)C ZINC000582101709 347240432 /nfs/dbraw/zinc/24/04/32/347240432.db2.gz GHMBXBDRAMCUQM-UHFFFAOYSA-N 0 0 248.282 2.528 20 5 BFBDRN Cc1cccc([N+](=O)[O-])c1N1CC[C@H](C)C1 ZINC000338916503 179206556 /nfs/dbraw/zinc/20/65/56/179206556.db2.gz LMAVIVWDEDCWTL-VIFPVBQESA-N 0 0 220.272 2.749 20 5 BFBDRN CCC[C@@H](CNc1ccc([N+](=O)[O-])s1)OC ZINC000590707007 347498084 /nfs/dbraw/zinc/49/80/84/347498084.db2.gz JXSSORVETOJWSK-QMMMGPOBSA-N 0 0 244.316 2.883 20 5 BFBDRN CCOC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000149971186 347581368 /nfs/dbraw/zinc/58/13/68/347581368.db2.gz MISRUTROGSMPIS-UHFFFAOYSA-N 0 0 243.646 2.733 20 5 BFBDRN CC[C@H](C)CN(C)c1ncc([N+](=O)[O-])cc1F ZINC000591146200 347620558 /nfs/dbraw/zinc/62/05/58/347620558.db2.gz HPYGGRAZGDJUDU-QMMMGPOBSA-N 0 0 241.266 2.611 20 5 BFBDRN C[C@H]1CCN1c1nccc2ccc([N+](=O)[O-])cc21 ZINC000591140968 347620699 /nfs/dbraw/zinc/62/06/99/347620699.db2.gz DGWOFQBYGZIJOF-VIFPVBQESA-N 0 0 243.266 2.742 20 5 BFBDRN CCO[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])s2)C1 ZINC000591174997 347625110 /nfs/dbraw/zinc/62/51/10/347625110.db2.gz HPHNHRGNRXYCST-OCAPTIKFSA-N 0 0 242.300 2.636 20 5 BFBDRN C[C@@H]1CC(C)(C)CN1c1ccncc1[N+](=O)[O-] ZINC000591197229 347629453 /nfs/dbraw/zinc/62/94/53/347629453.db2.gz TWGXZZMRFFZONJ-SECBINFHSA-N 0 0 235.287 2.615 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CC[C@H](C3CCC3)C2)nc1 ZINC000591204222 347630723 /nfs/dbraw/zinc/63/07/23/347630723.db2.gz LLVYBGYJHNIKAX-NSHDSACASA-N 0 0 247.298 2.616 20 5 BFBDRN Cc1nn(CCC(C)(C)C2CC2)cc1[N+](=O)[O-] ZINC000594450119 348057642 /nfs/dbraw/zinc/05/76/42/348057642.db2.gz FZTAFDUVKIBZDO-UHFFFAOYSA-N 0 0 237.303 2.926 20 5 BFBDRN Cc1ncc([N+](=O)[O-])n1C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000594887703 348121931 /nfs/dbraw/zinc/12/19/31/348121931.db2.gz PYCGPLBXEATLDJ-MXWKQRLJSA-N 0 0 235.287 2.536 20 5 BFBDRN Cc1ccnc(N(C)CC2CCC2)c1[N+](=O)[O-] ZINC000301309728 179427269 /nfs/dbraw/zinc/42/72/69/179427269.db2.gz YAAIXUOQCKECQO-UHFFFAOYSA-N 0 0 235.287 2.535 20 5 BFBDRN Cc1cc(N2CCCC2)c([N+](=O)[O-])s1 ZINC000596052782 348433974 /nfs/dbraw/zinc/43/39/74/348433974.db2.gz YMLCEEFOZKPCHA-UHFFFAOYSA-N 0 0 212.274 2.565 20 5 BFBDRN Cc1cc(N2C[C@@H](C)[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000596247284 348486939 /nfs/dbraw/zinc/48/69/39/348486939.db2.gz JSHQQYBAXHPDGJ-BDAKNGLRSA-N 0 0 238.262 2.887 20 5 BFBDRN O=[N+]([O-])c1ccsc1N1CC[C@H]1C(F)F ZINC000596247015 348487037 /nfs/dbraw/zinc/48/70/37/348487037.db2.gz HFBLJQIKPRFKHG-YFKPBYRVSA-N 0 0 234.227 2.500 20 5 BFBDRN Cc1ccnc(N[C@H]2CCC[C@@H]2F)c1[N+](=O)[O-] ZINC000338844086 179460308 /nfs/dbraw/zinc/46/03/08/179460308.db2.gz PRNNJRWJTUTXGD-IUCAKERBSA-N 0 0 239.250 2.601 20 5 BFBDRN CC[C@@H](C)[C@@H](C)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596134690 348447177 /nfs/dbraw/zinc/44/71/77/348447177.db2.gz OONLPWBEYNPLGH-HTQZYQBOSA-N 0 0 239.275 2.542 20 5 BFBDRN Cc1cc(S[C@H](C)CCO)c([N+](=O)[O-])s1 ZINC000596139276 348449071 /nfs/dbraw/zinc/44/90/71/348449071.db2.gz LIPMUIAYAHPIQI-ZCFIWIBFSA-N 0 0 247.341 2.828 20 5 BFBDRN COC(C)(C)CNc1cc(C)sc1[N+](=O)[O-] ZINC000596138145 348449132 /nfs/dbraw/zinc/44/91/32/348449132.db2.gz GGXMFURHTXKVDQ-UHFFFAOYSA-N 0 0 244.316 2.802 20 5 BFBDRN Cc1cc(N2CCC[C@H]2C)c([N+](=O)[O-])s1 ZINC000596144774 348450746 /nfs/dbraw/zinc/45/07/46/348450746.db2.gz NHDZJKJQMOUAEU-SSDOTTSWSA-N 0 0 226.301 2.953 20 5 BFBDRN Cc1cc(N2CC=CCC2)c([N+](=O)[O-])s1 ZINC000596185954 348456002 /nfs/dbraw/zinc/45/60/02/348456002.db2.gz HTUMIIZPZXXIHB-UHFFFAOYSA-N 0 0 224.285 2.731 20 5 BFBDRN CC[C@H](O)CCNc1cc(C)sc1[N+](=O)[O-] ZINC000596160887 348459209 /nfs/dbraw/zinc/45/92/09/348459209.db2.gz AOOQSLLYHPWXRJ-QMMMGPOBSA-N 0 0 244.316 2.538 20 5 BFBDRN Cc1cc(N2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])s1 ZINC000596232796 348463079 /nfs/dbraw/zinc/46/30/79/348463079.db2.gz ZFBJYAVSOZLKTG-BDAKNGLRSA-N 0 0 238.312 2.953 20 5 BFBDRN Cc1cc(N2CC(C)(C)C2)c([N+](=O)[O-])s1 ZINC000596215529 348467984 /nfs/dbraw/zinc/46/79/84/348467984.db2.gz VRPANEPPQMHDIP-UHFFFAOYSA-N 0 0 226.301 2.811 20 5 BFBDRN Cc1cc(N2CCC3(CC3)C2)c([N+](=O)[O-])s1 ZINC000596221626 348470228 /nfs/dbraw/zinc/47/02/28/348470228.db2.gz ZVNURRFCXBLGNG-UHFFFAOYSA-N 0 0 238.312 2.955 20 5 BFBDRN C[C@@H]1CN(c2sccc2[N+](=O)[O-])[C@@H]1C ZINC000596247777 348472180 /nfs/dbraw/zinc/47/21/80/348472180.db2.gz LNKFRFRGIJFEKH-RNFRBKRXSA-N 0 0 212.274 2.501 20 5 BFBDRN C[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])[C@@H]1C ZINC000596248490 348472623 /nfs/dbraw/zinc/47/26/23/348472623.db2.gz NKCXELZYQBJPGW-HTQZYQBOSA-N 0 0 224.235 2.579 20 5 BFBDRN COc1ccc(OCC2CC=CC2)cc1[N+](=O)[O-] ZINC000596275794 348494707 /nfs/dbraw/zinc/49/47/07/348494707.db2.gz BYQQDZSXXADRIZ-UHFFFAOYSA-N 0 0 249.266 2.948 20 5 BFBDRN Cc1ccnc(N[C@@H]2CC=CCC2)c1[N+](=O)[O-] ZINC000080120629 179455911 /nfs/dbraw/zinc/45/59/11/179455911.db2.gz PTGRRFPJTVOTRJ-SNVBAGLBSA-N 0 0 233.271 2.819 20 5 BFBDRN CCCCSCc1onc(C)c1[N+](=O)[O-] ZINC000596332057 348495744 /nfs/dbraw/zinc/49/57/44/348495744.db2.gz IFNAJEUSJWAZNS-UHFFFAOYSA-N 0 0 230.289 2.925 20 5 BFBDRN CCO[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])s2)C1 ZINC000596440323 348548969 /nfs/dbraw/zinc/54/89/69/348548969.db2.gz HPHNHRGNRXYCST-ZKCHVHJHSA-N 0 0 242.300 2.636 20 5 BFBDRN 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248.238 2.641 20 5 BFBDRN C[C@@H]1CC[C@H]1Nc1ccc([N+](=O)[O-])s1 ZINC000307696807 352934810 /nfs/dbraw/zinc/93/48/10/352934810.db2.gz LAQFVEPRQCDHHZ-RNFRBKRXSA-N 0 0 212.274 2.867 20 5 BFBDRN C/C=C(\CC)C(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000188966963 188002143 /nfs/dbraw/zinc/00/21/43/188002143.db2.gz CQCSMEKDFDDYAI-RUDMXATFSA-N 0 0 249.270 2.593 20 5 BFBDRN O=[N+]([O-])c1c(Cl)cccc1OC1CC1 ZINC000095735489 187975434 /nfs/dbraw/zinc/97/54/34/187975434.db2.gz OPVPYJGHBXBXPR-UHFFFAOYSA-N 0 0 213.620 2.789 20 5 BFBDRN C/C=C(/C)C(=O)Oc1cc([N+](=O)[O-])ccc1C ZINC000157938287 187987066 /nfs/dbraw/zinc/98/70/66/187987066.db2.gz AVIPJUNIAGYGKH-YWEYNIOJSA-N 0 0 235.239 2.775 20 5 BFBDRN CC(=O)CCSCc1ccc([N+](=O)[O-])cc1 ZINC000107851960 187990255 /nfs/dbraw/zinc/99/02/55/187990255.db2.gz BGAQWYWTXAGYOL-UHFFFAOYSA-N 0 0 239.296 2.807 20 5 BFBDRN COc1ccc(Nc2ccc([N+](=O)[O-])nc2)cc1 ZINC000339965099 188020135 /nfs/dbraw/zinc/02/01/35/188020135.db2.gz PJTCDXADZZZOCR-UHFFFAOYSA-N 0 0 245.238 2.742 20 5 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385241964 /nfs/dbraw/zinc/24/19/64/385241964.db2.gz WQKQHWRVPQQPHW-VIFPVBQESA-N 0 0 248.282 2.604 20 5 BFBDRN CSCn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000338552768 385255940 /nfs/dbraw/zinc/25/59/40/385255940.db2.gz VESKWEPBKRUEBP-UHFFFAOYSA-N 0 0 249.295 2.779 20 5 BFBDRN Cc1cn(C[C@@H]2CCC[C@H](C)C2)nc1[N+](=O)[O-] ZINC000407977583 385270422 /nfs/dbraw/zinc/27/04/22/385270422.db2.gz TYRYIBASMPLFIK-GXSJLCMTSA-N 0 0 237.303 2.926 20 5 BFBDRN C[C@H](CF)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000288183442 385279962 /nfs/dbraw/zinc/27/99/62/385279962.db2.gz JGAXNSMMLQZOAE-MRVPVSSYSA-N 0 0 249.245 2.913 20 5 BFBDRN O=[N+]([O-])c1ccnn1CCCc1cccc(F)c1 ZINC000180038625 385362260 /nfs/dbraw/zinc/36/22/60/385362260.db2.gz MYEXPXJEFCQTDK-UHFFFAOYSA-N 0 0 249.245 2.563 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[C@@H](F)C2)n1 ZINC000340964631 385380720 /nfs/dbraw/zinc/38/07/20/385380720.db2.gz MJMORJCPJBLCDP-BDAKNGLRSA-N 0 0 239.250 2.601 20 5 BFBDRN CC(=O)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000109602583 385475305 /nfs/dbraw/zinc/47/53/05/385475305.db2.gz PELYKYCGEMVWFB-UHFFFAOYSA-N 0 0 248.263 2.921 20 5 BFBDRN O=[N+]([O-])c1cc(F)ccc1N1CCC[C@@H]1CF ZINC000293939944 385518659 /nfs/dbraw/zinc/51/86/59/385518659.db2.gz FUOWBPJTUQMRBA-SECBINFHSA-N 0 0 242.225 2.672 20 5 BFBDRN CC[C@@H](CNc1c(F)cccc1[N+](=O)[O-])OC ZINC000290797835 385574979 /nfs/dbraw/zinc/57/49/79/385574979.db2.gz YGIROWCVRNLCTA-QMMMGPOBSA-N 0 0 242.250 2.571 20 5 BFBDRN CN(CCC1CC1)c1cccc(F)c1[N+](=O)[O-] ZINC000120306184 385576459 /nfs/dbraw/zinc/57/64/59/385576459.db2.gz UZDRGMNIJAZBKE-UHFFFAOYSA-N 0 0 238.262 2.970 20 5 BFBDRN Cc1nn(C[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000450961969 385600378 /nfs/dbraw/zinc/60/03/78/385600378.db2.gz SLAUNPAKONJCQD-SNVBAGLBSA-N 0 0 245.282 2.903 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](C)C[C@@H]2C)n1 ZINC000408172278 385605748 /nfs/dbraw/zinc/60/57/48/385605748.db2.gz UVPNZWGCGLFBNC-KWQFWETISA-N 0 0 249.314 2.841 20 5 BFBDRN O=[N+]([O-])c1cccnc1NCc1ccsc1 ZINC000052129369 385698092 /nfs/dbraw/zinc/69/80/92/385698092.db2.gz JPPSVVDCLCBHOW-UHFFFAOYSA-N 0 0 235.268 2.663 20 5 BFBDRN Cc1cc([N+](=O)[O-])ccc1NCC1=CCOCC1 ZINC000397765019 385707139 /nfs/dbraw/zinc/70/71/39/385707139.db2.gz YFEAQBRCAVAQTJ-UHFFFAOYSA-N 0 0 248.282 2.662 20 5 BFBDRN Cc1cccc([N+](=O)[O-])c1NCC1=CCOCC1 ZINC000397721870 385708200 /nfs/dbraw/zinc/70/82/00/385708200.db2.gz BOLBPLBSVFFJLW-UHFFFAOYSA-N 0 0 248.282 2.662 20 5 BFBDRN Cc1cc(NCC2=CCOCC2)ccc1[N+](=O)[O-] ZINC000397735165 385708971 /nfs/dbraw/zinc/70/89/71/385708971.db2.gz HOARWFRRDNLIQJ-UHFFFAOYSA-N 0 0 248.282 2.662 20 5 BFBDRN O=[N+]([O-])c1cc(F)ccc1N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000397837313 385716878 /nfs/dbraw/zinc/71/68/78/385716878.db2.gz UJKNWVVVQJPUSJ-DIYOJNKTSA-N 0 0 236.246 2.944 20 5 BFBDRN CO[C@H](C)CSc1cccc([N+](=O)[O-])c1 ZINC000337756169 385770867 /nfs/dbraw/zinc/77/08/67/385770867.db2.gz LZHGVBRTIQNIFI-MRVPVSSYSA-N 0 0 227.285 2.722 20 5 BFBDRN CSCOc1ccc([N+](=O)[O-])c(C)c1 ZINC000292766750 385723518 /nfs/dbraw/zinc/72/35/18/385723518.db2.gz XDSDNZIGLNGDFH-UHFFFAOYSA-N 0 0 213.258 2.603 20 5 BFBDRN O=[N+]([O-])c1cnc(N2CCCCCCC2)s1 ZINC000190300787 385910925 /nfs/dbraw/zinc/91/09/25/385910925.db2.gz NRZCYFSLJHNWOY-UHFFFAOYSA-N 0 0 241.316 2.822 20 5 BFBDRN Cc1ccc(Oc2ncc([N+](=O)[O-])cn2)cc1C ZINC000302107353 385927226 /nfs/dbraw/zinc/92/72/26/385927226.db2.gz AGMAFKMTBUDUCT-UHFFFAOYSA-N 0 0 245.238 2.794 20 5 BFBDRN CCCCCNc1ncc([N+](=O)[O-])cc1C ZINC000052812200 385988873 /nfs/dbraw/zinc/98/88/73/385988873.db2.gz VKJNCBUTDSKVGD-UHFFFAOYSA-N 0 0 223.276 2.900 20 5 BFBDRN O=[N+]([O-])c1ccccc1OCC1CCC1 ZINC000266211727 385937714 /nfs/dbraw/zinc/93/77/14/385937714.db2.gz ARJGRAPOWZXLEM-UHFFFAOYSA-N 0 0 207.229 2.774 20 5 BFBDRN CC[C@@H](O)CCCNc1ccc([N+](=O)[O-])s1 ZINC000309520810 386051568 /nfs/dbraw/zinc/05/15/68/386051568.db2.gz CBACCVSZXNOYIH-MRVPVSSYSA-N 0 0 244.316 2.619 20 5 BFBDRN CC[C@@H](F)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000440703431 386088788 /nfs/dbraw/zinc/08/87/88/386088788.db2.gz HUKCLHGRPZFQGP-LLVKDONJSA-N 0 0 240.278 2.775 20 5 BFBDRN C[C@H](Nc1ccc([N+](=O)[O-])cn1)C1CCC1 ZINC000160057141 386203394 /nfs/dbraw/zinc/20/33/94/386203394.db2.gz HCIXCPXZRWVMBI-QMMMGPOBSA-N 0 0 221.260 2.590 20 5 BFBDRN CC1(CNc2ncc([N+](=O)[O-])cc2F)CCC1 ZINC000572609770 386310010 /nfs/dbraw/zinc/31/00/10/386310010.db2.gz KGZABZQTVKJOKK-UHFFFAOYSA-N 0 0 239.250 2.731 20 5 BFBDRN Cc1nc(N2CC[C@@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000408362432 386271549 /nfs/dbraw/zinc/27/15/49/386271549.db2.gz OICFPWDUTAZRET-JQWIXIFHSA-N 0 0 247.298 2.677 20 5 BFBDRN Cc1cc(OCC(F)F)c(F)cc1[N+](=O)[O-] ZINC000185673432 386595048 /nfs/dbraw/zinc/59/50/48/386595048.db2.gz UOKWTVWAAYLLOK-UHFFFAOYSA-N 0 0 235.161 2.686 20 5 BFBDRN CS[C@H](C)CNc1ccc(F)cc1[N+](=O)[O-] ZINC000128860688 386544623 /nfs/dbraw/zinc/54/46/23/386544623.db2.gz WOCGEOHXJWQTBC-SSDOTTSWSA-N 0 0 244.291 2.897 20 5 BFBDRN CN(CC1CC1)c1c(F)cc([N+](=O)[O-])cc1F ZINC000301763757 386673574 /nfs/dbraw/zinc/67/35/74/386673574.db2.gz CIZKRBMJTFEYMZ-UHFFFAOYSA-N 0 0 242.225 2.719 20 5 BFBDRN Cc1ccnc(NCc2cccc([N+](=O)[O-])c2)c1 ZINC000049942920 386683521 /nfs/dbraw/zinc/68/35/21/386683521.db2.gz RIJRTCGRRNZVHC-UHFFFAOYSA-N 0 0 243.266 2.910 20 5 BFBDRN CSCOc1cc(C)ccc1[N+](=O)[O-] ZINC000292584462 386691997 /nfs/dbraw/zinc/69/19/97/386691997.db2.gz GFKANZRABQSLOE-UHFFFAOYSA-N 0 0 213.258 2.603 20 5 BFBDRN O=[N+]([O-])c1ccc(NCCC2=CCCC2)cn1 ZINC000229175031 386692498 /nfs/dbraw/zinc/69/24/98/386692498.db2.gz VPAWHICBJUNHDQ-UHFFFAOYSA-N 0 0 233.271 2.902 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@@H]2CC[C@H]3C[C@H]3C2)cn1 ZINC000403479252 386704039 /nfs/dbraw/zinc/70/40/39/386704039.db2.gz RFPHXGAVANNEHI-LPEHRKFASA-N 0 0 233.271 2.590 20 5 BFBDRN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000449362908 386812325 /nfs/dbraw/zinc/81/23/25/386812325.db2.gz ODTZERZMNJUXJL-SNVBAGLBSA-N 0 0 244.241 2.728 20 5 BFBDRN Cc1cnc(N(C)[C@H](C)C2(C)CC2)c([N+](=O)[O-])c1 ZINC000439619849 386813662 /nfs/dbraw/zinc/81/36/62/386813662.db2.gz QVOBTCBRBJSVSB-SNVBAGLBSA-N 0 0 249.314 2.923 20 5 BFBDRN CC[C@H]1CCN(c2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000151612236 386839918 /nfs/dbraw/zinc/83/99/18/386839918.db2.gz MPVCBWUHWFLKDG-JTQLQIEISA-N 0 0 235.287 2.535 20 5 BFBDRN O=[N+]([O-])c1cccc(NCCCCCCO)c1 ZINC000059541781 386841531 /nfs/dbraw/zinc/84/15/31/386841531.db2.gz SLROBAITAOMGMP-UHFFFAOYSA-N 0 0 238.287 2.559 20 5 BFBDRN C[C@@H]1OCC[C@@H]1Sc1ccccc1[N+](=O)[O-] ZINC000269895246 387154197 /nfs/dbraw/zinc/15/41/97/387154197.db2.gz DJVPAJAWQLHTBL-WPRPVWTQSA-N 0 0 239.296 2.864 20 5 BFBDRN CC/C=C/CNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000295486599 387245904 /nfs/dbraw/zinc/24/59/04/387245904.db2.gz APIGVUAWSJHTRK-SNAWJCMRSA-N 0 0 248.282 2.599 20 5 BFBDRN CC(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000120560407 387254503 /nfs/dbraw/zinc/25/45/03/387254503.db2.gz QCMMOUYABPFTBH-UHFFFAOYSA-N 0 0 248.282 2.890 20 5 BFBDRN CC[C@@H](F)COc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000440596661 387372852 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388672189 /nfs/dbraw/zinc/67/21/89/388672189.db2.gz YULPGRJYDWWEKG-LLVKDONJSA-N 0 0 239.271 2.707 20 5 BFBDRN CC[C@@H](COc1cccc(C)c1[N+](=O)[O-])OC ZINC000416902114 388672223 /nfs/dbraw/zinc/67/22/23/388672223.db2.gz CYDMXOWCTLLANH-JTQLQIEISA-N 0 0 239.271 2.707 20 5 BFBDRN CN(CCC1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000301808861 388679030 /nfs/dbraw/zinc/67/90/30/388679030.db2.gz ZIPAKBZNZHXBED-UHFFFAOYSA-N 0 0 238.262 2.970 20 5 BFBDRN Cc1n[nH]cc1CNc1cc(C)ccc1[N+](=O)[O-] ZINC000094659434 388637332 /nfs/dbraw/zinc/63/73/32/388637332.db2.gz KVQSCWQMRZQMAG-UHFFFAOYSA-N 0 0 246.270 2.547 20 5 BFBDRN CCCCCSc1ncc([N+](=O)[O-])cn1 ZINC000273925574 388637777 /nfs/dbraw/zinc/63/77/77/388637777.db2.gz KBBWOFBMTPQOSV-UHFFFAOYSA-N 0 0 227.289 2.667 20 5 BFBDRN CC(C)(C)CCCn1cccc([N+](=O)[O-])c1=O ZINC000275546872 388734823 /nfs/dbraw/zinc/73/48/23/388734823.db2.gz DMKPDTRUUXXMOM-UHFFFAOYSA-N 0 0 238.287 2.583 20 5 BFBDRN COCC[C@@H](C)Sc1ccc([N+](=O)[O-])cn1 ZINC000448107540 388739339 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/nfs/dbraw/zinc/73/10/89/388731089.db2.gz RBNZDEOHOQYAQO-UHFFFAOYSA-N 0 0 236.252 2.875 20 5 BFBDRN CN(Cc1csc([N+](=O)[O-])c1)[C@H]1CC1(C)C ZINC000489497072 388733565 /nfs/dbraw/zinc/73/35/65/388733565.db2.gz NSNVZWICDMFXOB-VIFPVBQESA-N 0 0 240.328 2.887 20 5 BFBDRN CCCCCCn1cc(C)c([N+](=O)[O-])n1 ZINC000282235516 388813525 /nfs/dbraw/zinc/81/35/25/388813525.db2.gz LLEBZPLLPJKLKF-UHFFFAOYSA-N 0 0 211.265 2.680 20 5 BFBDRN Cc1cc([N+](=O)[O-])ccc1CNCC(C)(F)F ZINC000555608980 388806280 /nfs/dbraw/zinc/80/62/80/388806280.db2.gz JWNKZOAZSHDHRD-UHFFFAOYSA-N 0 0 244.241 2.648 20 5 BFBDRN CC(=O)c1cc(NCC2CC2)ccc1[N+](=O)[O-] ZINC000283535102 388824472 /nfs/dbraw/zinc/82/44/72/388824472.db2.gz LJADRSVQUIGRIJ-UHFFFAOYSA-N 0 0 234.255 2.619 20 5 BFBDRN CN(C[C@@H]1CC=CCC1)c1ncccc1[N+](=O)[O-] ZINC000302199564 388839313 /nfs/dbraw/zinc/83/93/13/388839313.db2.gz YRRZRDPDIQBUQA-LLVKDONJSA-N 0 0 247.298 2.782 20 5 BFBDRN O=[N+]([O-])c1cnc(Sc2ccccc2)nc1 ZINC000302202773 388840506 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132187810 /nfs/dbraw/zinc/18/78/10/132187810.db2.gz JCRFFDOXBOHDHV-UHFFFAOYSA-N 0 0 249.314 2.925 20 5 BFBDRN Cc1cc(N2CC[C@H](C)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000270948169 132198217 /nfs/dbraw/zinc/19/82/17/132198217.db2.gz LKNIUBBNNAZPEA-ONGXEEELSA-N 0 0 249.314 2.781 20 5 BFBDRN Cc1ccnc(N2CCC(C)=C(C)C2)c1[N+](=O)[O-] ZINC000280946115 132211152 /nfs/dbraw/zinc/21/11/52/132211152.db2.gz JWBUBRKMFOSPMZ-UHFFFAOYSA-N 0 0 247.298 2.845 20 5 BFBDRN C[C@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000048567881 132227646 /nfs/dbraw/zinc/22/76/46/132227646.db2.gz DSBXFXHOAVSIKR-VIFPVBQESA-N 0 0 238.262 2.970 20 5 BFBDRN CC[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000301626858 132255252 /nfs/dbraw/zinc/25/52/52/132255252.db2.gz HQYAWJCDYGQZPT-NSHDSACASA-N 0 0 249.314 2.925 20 5 BFBDRN CC[C@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000358680363 132275967 /nfs/dbraw/zinc/27/59/67/132275967.db2.gz GTBNNMZBNLQPQK-JTQLQIEISA-N 0 0 235.287 2.616 20 5 BFBDRN O=[N+]([O-])c1cccnc1N1CCC2(CCC2)CC1 ZINC000367874598 132282700 /nfs/dbraw/zinc/28/27/00/132282700.db2.gz LHTMAYJIMFPLBH-UHFFFAOYSA-N 0 0 247.298 2.760 20 5 BFBDRN CC(C)C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000040630970 132348210 /nfs/dbraw/zinc/34/82/10/132348210.db2.gz FWSDEIHNFXYANR-UHFFFAOYSA-N 0 0 248.282 2.530 20 5 BFBDRN COC[C@H](C)CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000044477209 322840575 /nfs/dbraw/zinc/84/05/75/322840575.db2.gz CDDHKVOMHPUWRW-SECBINFHSA-N 0 0 238.287 2.598 20 5 BFBDRN C[C@H](F)CCOc1c(Cl)cncc1[N+](=O)[O-] ZINC000349919973 133925632 /nfs/dbraw/zinc/92/56/32/133925632.db2.gz VRCXPBGGLJQQRK-LURJTMIESA-N 0 0 248.641 2.770 20 5 BFBDRN CC[C@@H]1CCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000335912123 133989863 /nfs/dbraw/zinc/98/98/63/133989863.db2.gz GSECGURORKAYEG-LLVKDONJSA-N 0 0 248.282 2.528 20 5 BFBDRN Cc1cccc(NC2CCC2)c1[N+](=O)[O-] ZINC000218852134 134265131 /nfs/dbraw/zinc/26/51/31/134265131.db2.gz NNPNILLPMFQBLI-UHFFFAOYSA-N 0 0 206.245 2.868 20 5 BFBDRN Cc1cc(NC[C@@H]2CC2(C)C)ncc1[N+](=O)[O-] ZINC000220207848 134304439 /nfs/dbraw/zinc/30/44/39/134304439.db2.gz FGOOHOTWKQJFKK-VIFPVBQESA-N 0 0 235.287 2.756 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2C=CCCC2)n1 ZINC000178257378 134305564 /nfs/dbraw/zinc/30/55/64/134305564.db2.gz XGWUOZAIZKJYEY-SNVBAGLBSA-N 0 0 233.271 2.819 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(NCC2(C)CC2)n1 ZINC000223010002 134335997 /nfs/dbraw/zinc/33/59/97/134335997.db2.gz OVLKMOWGFMIWHY-UHFFFAOYSA-N 0 0 221.260 2.510 20 5 BFBDRN Cc1ccnc(NC[C@H]2CC2(C)C)c1[N+](=O)[O-] ZINC000227116672 134373447 /nfs/dbraw/zinc/37/34/47/134373447.db2.gz KOMWTXZGAWEQSV-SECBINFHSA-N 0 0 235.287 2.756 20 5 BFBDRN C[C@@H]1CC[C@@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000230432248 134504722 /nfs/dbraw/zinc/50/47/22/134504722.db2.gz RYSXLMRGBQKPKX-HTQZYQBOSA-N 0 0 241.316 2.899 20 5 BFBDRN C[C@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000052291011 134700375 /nfs/dbraw/zinc/70/03/75/134700375.db2.gz XHKUEQPZKYEWNC-KWQFWETISA-N 0 0 243.266 2.963 20 5 BFBDRN C[C@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000070832698 134924090 /nfs/dbraw/zinc/92/40/90/134924090.db2.gz ZOVBGSXMVSOOQZ-WCBMZHEXSA-N 0 0 221.260 2.590 20 5 BFBDRN CC(C)[C@H](C)CNc1ccncc1[N+](=O)[O-] ZINC000077897394 135084748 /nfs/dbraw/zinc/08/47/48/135084748.db2.gz LKBHHWQBJLEPQU-SECBINFHSA-N 0 0 223.276 2.694 20 5 BFBDRN C[C@@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])CS1 ZINC000086935052 135103358 /nfs/dbraw/zinc/10/33/58/135103358.db2.gz QYEUSFXZKTWWPJ-RKDXNWHRSA-N 0 0 238.312 2.901 20 5 BFBDRN Cc1c(CSc2ncc[nH]2)cccc1[N+](=O)[O-] ZINC000079006372 135265969 /nfs/dbraw/zinc/26/59/69/135265969.db2.gz MRGBTAPPIXKHPS-UHFFFAOYSA-N 0 0 249.295 2.919 20 5 BFBDRN C[C@@]1(F)CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000342558347 135288561 /nfs/dbraw/zinc/28/85/61/135288561.db2.gz QSGFLIQFCYYGMT-LLVKDONJSA-N 0 0 242.225 2.672 20 5 BFBDRN O=[N+]([O-])c1cccc(F)c1NCCc1ccc[nH]1 ZINC000342937739 135336787 /nfs/dbraw/zinc/33/67/87/135336787.db2.gz ILLNMAKFSAPSDC-UHFFFAOYSA-N 0 0 249.245 2.717 20 5 BFBDRN Cc1cscc1CNc1ccncc1[N+](=O)[O-] ZINC000094883103 135620912 /nfs/dbraw/zinc/62/09/12/135620912.db2.gz PACFZBLBOMNSQR-UHFFFAOYSA-N 0 0 249.295 2.972 20 5 BFBDRN O=[N+]([O-])c1ccc(CSc2ncc[nH]2)cc1 ZINC000096551672 135627446 /nfs/dbraw/zinc/62/74/46/135627446.db2.gz SHOFASZDQWVSML-UHFFFAOYSA-N 0 0 235.268 2.610 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H]2C(F)F)c1 ZINC000343776937 135690266 /nfs/dbraw/zinc/69/02/66/135690266.db2.gz JVSMETGDJLYKNB-YUMQZZPRSA-N 0 0 242.225 2.969 20 5 BFBDRN O=[N+]([O-])c1cc(F)ccc1N[C@@H]1C[C@@H]1C(F)F ZINC000343817672 135700566 /nfs/dbraw/zinc/70/05/66/135700566.db2.gz VPGRVYQSJGHQOI-POYBYMJQSA-N 0 0 246.188 2.799 20 5 BFBDRN Cc1ccc(NC(=O)[C@H]2CC23CC3)cc1[N+](=O)[O-] ZINC000334992443 135860136 /nfs/dbraw/zinc/86/01/36/135860136.db2.gz BWRCLCIUDLRZHI-SNVBAGLBSA-N 0 0 246.266 2.642 20 5 BFBDRN O=[N+]([O-])c1ccc(CC[N@@H+]2CCC23CCC3)cc1 ZINC000348314742 136067874 /nfs/dbraw/zinc/06/78/74/136067874.db2.gz ADMLJFJPVALJDM-UHFFFAOYSA-N 0 0 246.310 2.766 20 5 BFBDRN Cc1c(C(=O)N2[C@@H](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000336491106 397941630 /nfs/dbraw/zinc/94/16/30/397941630.db2.gz RMTSWFHSPBJMKE-IUCAKERBSA-N 0 0 248.282 2.526 20 5 BFBDRN C[C@H](SCCCO)c1ccccc1[N+](=O)[O-] ZINC000413016627 397923777 /nfs/dbraw/zinc/92/37/77/397923777.db2.gz MMPNRWRXZOFMSL-VIFPVBQESA-N 0 0 241.312 2.771 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H](C)[C@@H]2C)n1 ZINC000408170450 397973814 /nfs/dbraw/zinc/97/38/14/397973814.db2.gz DSEQIEZWLDDQDF-KCJUWKMLSA-N 0 0 249.314 2.841 20 5 BFBDRN COc1cccc(NCC2(C)CC2)c1[N+](=O)[O-] ZINC000228854863 397975328 /nfs/dbraw/zinc/97/53/28/397975328.db2.gz TVAPQOKFNHZZAW-UHFFFAOYSA-N 0 0 236.271 2.815 20 5 BFBDRN CCCCN(C)c1c(F)cccc1[N+](=O)[O-] ZINC000561098291 398057365 /nfs/dbraw/zinc/05/73/65/398057365.db2.gz ZQAXNOFLJAKCDB-UHFFFAOYSA-N 0 0 226.251 2.970 20 5 BFBDRN CSCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000292789851 175509295 /nfs/dbraw/zinc/50/92/95/175509295.db2.gz ZIKKWQGYVANDFL-UHFFFAOYSA-N 0 0 233.676 2.948 20 5 BFBDRN CC(C)OCCOc1cc(F)ccc1[N+](=O)[O-] ZINC000058826106 167248898 /nfs/dbraw/zinc/24/88/98/167248898.db2.gz KBIZRQDFMWTUSG-UHFFFAOYSA-N 0 0 243.234 2.538 20 5 BFBDRN CC(C)(NC(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000556732033 322921382 /nfs/dbraw/zinc/92/13/82/322921382.db2.gz XZXRQRJAOOEEAP-UHFFFAOYSA-N 0 0 248.282 2.513 20 5 BFBDRN O=[N+]([O-])c1cccc(F)c1NCc1ccccn1 ZINC000083376292 409917162 /nfs/dbraw/zinc/91/71/62/409917162.db2.gz GODWZIHTGVTKRB-UHFFFAOYSA-N 0 0 247.229 2.741 20 5 BFBDRN CC(=O)c1cc([N+](=O)[O-])ccc1OCC1CCC1 ZINC000160774763 166448238 /nfs/dbraw/zinc/44/82/38/166448238.db2.gz ORYPTPJMCCXKRJ-UHFFFAOYSA-N 0 0 249.266 2.976 20 5 BFBDRN CC(C)CNc1ccc(F)cc1[N+](=O)[O-] ZINC000034979453 167016123 /nfs/dbraw/zinc/01/61/23/167016123.db2.gz FTORDSMLNVZOBS-UHFFFAOYSA-N 0 0 212.224 2.802 20 5 BFBDRN CC(C)OCCOc1cccc(F)c1[N+](=O)[O-] ZINC000054268918 167248932 /nfs/dbraw/zinc/24/89/32/167248932.db2.gz JSUBXVWGIBCPMZ-UHFFFAOYSA-N 0 0 243.234 2.538 20 5 BFBDRN CC(C)OCCOc1cc(F)cc([N+](=O)[O-])c1 ZINC000121528690 167248957 /nfs/dbraw/zinc/24/89/57/167248957.db2.gz NQPRRMGDYOXDLI-UHFFFAOYSA-N 0 0 243.234 2.538 20 5 BFBDRN CC(C)SCCNc1ccc([N+](=O)[O-])nc1 ZINC000336647234 167333732 /nfs/dbraw/zinc/33/37/32/167333732.db2.gz FKJSVAQBVXIGIM-UHFFFAOYSA-N 0 0 241.316 2.543 20 5 BFBDRN Cc1cnc(N2[C@@H](C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000301612541 411132796 /nfs/dbraw/zinc/13/27/96/411132796.db2.gz GCHFQKVRSUHDEL-UWVGGRQHSA-N 0 0 235.287 2.675 20 5 BFBDRN CO[C@H]1CC[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000231682669 411185355 /nfs/dbraw/zinc/18/53/55/411185355.db2.gz NHKOSNQCNNBAJQ-UWVGGRQHSA-N 0 0 236.271 2.574 20 5 BFBDRN CC1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000357160544 168033878 /nfs/dbraw/zinc/03/38/78/168033878.db2.gz PACRUZGECIDNIF-UHFFFAOYSA-N 0 0 249.270 2.516 20 5 BFBDRN CC1(CNc2ncccc2[N+](=O)[O-])CCCC1 ZINC000066468077 168050394 /nfs/dbraw/zinc/05/03/94/168050394.db2.gz YSARRDWEKOVLKI-UHFFFAOYSA-N 0 0 235.287 2.982 20 5 BFBDRN CCC(=O)c1ccc(NCCF)c([N+](=O)[O-])c1 ZINC000280845759 168255555 /nfs/dbraw/zinc/25/55/55/168255555.db2.gz XUENODVOQFERDY-UHFFFAOYSA-N 0 0 240.234 2.569 20 5 BFBDRN C[C@@H]1CCN(c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000301489037 411509146 /nfs/dbraw/zinc/50/91/46/411509146.db2.gz KIKUVKLJHNNRLQ-ZJUUUORDSA-N 0 0 220.272 2.830 20 5 BFBDRN CCOc1ccc([N+](=O)[O-])cc1NCC1CC1 ZINC000352035403 170565898 /nfs/dbraw/zinc/56/58/98/170565898.db2.gz QKDALVYRRGSVOL-UHFFFAOYSA-N 0 0 236.271 2.815 20 5 BFBDRN CC[C@@H](C)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000227647453 170761490 /nfs/dbraw/zinc/76/14/90/170761490.db2.gz QXZFCUDHNSPQJG-ZCFIWIBFSA-N 0 0 229.667 2.854 20 5 BFBDRN CC[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000152792693 171014433 /nfs/dbraw/zinc/01/44/33/171014433.db2.gz SNGUCPQWQHZQDV-SNVBAGLBSA-N 0 0 235.287 2.535 20 5 BFBDRN CC[C@@H]1CCN(c2nc(C)ccc2[N+](=O)[O-])C1 ZINC000129496500 171016307 /nfs/dbraw/zinc/01/63/07/171016307.db2.gz HOYCXBKIDYRQNH-SNVBAGLBSA-N 0 0 235.287 2.535 20 5 BFBDRN CC[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2C)C1 ZINC000268045476 171016913 /nfs/dbraw/zinc/01/69/13/171016913.db2.gz QAFJYQRIZFTROE-SNVBAGLBSA-N 0 0 235.287 2.535 20 5 BFBDRN CC[C@@H]1CCN1C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000293990724 171021128 /nfs/dbraw/zinc/02/11/28/171021128.db2.gz LMPMYSKQKZDNLC-LLVKDONJSA-N 0 0 248.282 2.528 20 5 BFBDRN CC[C@@H]1C[C@@H]1Nc1c(F)cccc1[N+](=O)[O-] ZINC000304534520 171123736 /nfs/dbraw/zinc/12/37/36/171123736.db2.gz MKACCFOLVJNMPO-APPZFPTMSA-N 0 0 224.235 2.944 20 5 BFBDRN CC[C@@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000227013968 171125074 /nfs/dbraw/zinc/12/50/74/171125074.db2.gz KVXWCLFYAHENDM-KCJUWKMLSA-N 0 0 206.245 2.805 20 5 BFBDRN CC[C@@H]1C[C@H]1Nc1nccc(C)c1[N+](=O)[O-] ZINC000227116775 171141860 /nfs/dbraw/zinc/14/18/60/171141860.db2.gz QCOGJKZPVWATQO-RKDXNWHRSA-N 0 0 221.260 2.509 20 5 BFBDRN CC[C@@H]1[C@H](C)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000302396034 171160686 /nfs/dbraw/zinc/16/06/86/171160686.db2.gz KCPCCGWJGDDTCD-MWLCHTKSSA-N 0 0 235.287 2.615 20 5 BFBDRN CC[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000005665537 171255512 /nfs/dbraw/zinc/25/55/12/171255512.db2.gz PZZACMLPDREPPW-QMMMGPOBSA-N 0 0 236.271 2.888 20 5 BFBDRN CC[C@H](O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000156921078 171579382 /nfs/dbraw/zinc/57/93/82/171579382.db2.gz BGABZLYLTWUQPP-NSHDSACASA-N 0 0 241.312 2.599 20 5 BFBDRN CC[C@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC000227012103 171677396 /nfs/dbraw/zinc/67/73/96/171677396.db2.gz JPKVFIBCEIZUEZ-CPCISQLKSA-N 0 0 224.235 2.944 20 5 BFBDRN CCc1nccn1CCc1ccc([N+](=O)[O-])cc1 ZINC000108658089 172024944 /nfs/dbraw/zinc/02/49/44/172024944.db2.gz JZNVHUAJUPBLSZ-UHFFFAOYSA-N 0 0 245.282 2.596 20 5 BFBDRN CCc1noc(-c2cc([N+](=O)[O-])ccc2C)n1 ZINC000264597721 172070793 /nfs/dbraw/zinc/07/07/93/172070793.db2.gz HCHUZLCWPCVFSA-UHFFFAOYSA-N 0 0 233.227 2.516 20 5 BFBDRN CCn1cc(Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000035781459 172188462 /nfs/dbraw/zinc/18/84/62/172188462.db2.gz LUKOKWFFFCSJJV-UHFFFAOYSA-N 0 0 232.243 2.555 20 5 BFBDRN CCn1cc(Nc2ccc(C)cc2[N+](=O)[O-])cn1 ZINC000035781442 172188905 /nfs/dbraw/zinc/18/89/05/172188905.db2.gz KIHTYWSEXSZWKV-UHFFFAOYSA-N 0 0 246.270 2.863 20 5 BFBDRN CCn1nc(C)c([N+](=O)[O-])c1Nc1ccccc1 ZINC000195328803 172248580 /nfs/dbraw/zinc/24/85/80/172248580.db2.gz QDSKXMBERVFECX-UHFFFAOYSA-N 0 0 246.270 2.863 20 5 BFBDRN CN(C[C@@H]1CC=CCC1)c1ccncc1[N+](=O)[O-] ZINC000361059950 172806837 /nfs/dbraw/zinc/80/68/37/172806837.db2.gz TXGOEJHXJHVWBL-LLVKDONJSA-N 0 0 247.298 2.782 20 5 BFBDRN COC(C)(C)CNc1cc(C)ccc1[N+](=O)[O-] ZINC000122890717 173944238 /nfs/dbraw/zinc/94/42/38/173944238.db2.gz KEYIEMLCOCKCBP-UHFFFAOYSA-N 0 0 238.287 2.740 20 5 BFBDRN COCCC(C)(C)Nc1ccc([N+](=O)[O-])cc1 ZINC000340753645 174149023 /nfs/dbraw/zinc/14/90/23/174149023.db2.gz MINVMYKHTCEGDN-UHFFFAOYSA-N 0 0 238.287 2.822 20 5 BFBDRN COCCCCNc1ccc([N+](=O)[O-])cc1C ZINC000044659412 174205288 /nfs/dbraw/zinc/20/52/88/174205288.db2.gz QUIQMNHUPZPNSQ-UHFFFAOYSA-N 0 0 238.287 2.742 20 5 BFBDRN COCCSCc1cccc([N+](=O)[O-])c1C ZINC000105627762 174376290 /nfs/dbraw/zinc/37/62/90/174376290.db2.gz GEQCJMXEFBMBAH-UHFFFAOYSA-N 0 0 241.312 2.783 20 5 BFBDRN CO[C@@H](C)[C@@H](C)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000161248922 174714295 /nfs/dbraw/zinc/71/42/95/174714295.db2.gz PBNFSDPIZBGNCY-ZJUUUORDSA-N 0 0 238.287 2.739 20 5 BFBDRN CO[C@H](C)CCNc1cccc(C)c1[N+](=O)[O-] ZINC000275515773 174818628 /nfs/dbraw/zinc/81/86/28/174818628.db2.gz VNGGMXQAARKWOZ-SNVBAGLBSA-N 0 0 238.287 2.740 20 5 BFBDRN COc1cc(OCCCCF)ccc1[N+](=O)[O-] ZINC000285110176 175012665 /nfs/dbraw/zinc/01/26/65/175012665.db2.gz JDRJOBJFUYQLBP-UHFFFAOYSA-N 0 0 243.234 2.732 20 5 BFBDRN COc1cccc(NCCC2CC2)c1[N+](=O)[O-] ZINC000134924453 175278104 /nfs/dbraw/zinc/27/81/04/175278104.db2.gz JOCIUXRNZIVMNF-UHFFFAOYSA-N 0 0 236.271 2.815 20 5 BFBDRN COc1cccc(NCCCCF)c1[N+](=O)[O-] ZINC000310422198 175278568 /nfs/dbraw/zinc/27/85/68/175278568.db2.gz QVWYOIPYOLFXHC-UHFFFAOYSA-N 0 0 242.250 2.765 20 5 BFBDRN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000178391830 175620774 /nfs/dbraw/zinc/62/07/74/175620774.db2.gz OFRYMKPDWLHGAJ-MRVPVSSYSA-N 0 0 234.255 2.579 20 5 BFBDRN C[C@@H](F)CCNc1c(F)cccc1[N+](=O)[O-] ZINC000338756807 175790800 /nfs/dbraw/zinc/79/08/00/175790800.db2.gz RRGCWPLYPXFVJG-SSDOTTSWSA-N 0 0 230.214 2.894 20 5 BFBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000035216695 175931804 /nfs/dbraw/zinc/93/18/04/175931804.db2.gz NFAFKYUFAQZZFX-SKDRFNHKSA-N 0 0 236.271 2.574 20 5 BFBDRN C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000227648408 175937310 /nfs/dbraw/zinc/93/73/10/175937310.db2.gz LYPAWHFMCCWTQG-ZCFIWIBFSA-N 0 0 241.678 2.854 20 5 BFBDRN C[C@@H]1CCCCCN1c1ccc([N+](=O)[O-])cn1 ZINC000301286312 176063493 /nfs/dbraw/zinc/06/34/93/176063493.db2.gz OKQKEQSIHTXOGQ-SNVBAGLBSA-N 0 0 235.287 2.759 20 5 BFBDRN C[C@@H]1CCCC[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000020549764 176082085 /nfs/dbraw/zinc/08/20/85/176082085.db2.gz HOCLNGADMRVONQ-ZJUUUORDSA-N 0 0 235.287 2.980 20 5 BFBDRN C[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000054614569 176089040 /nfs/dbraw/zinc/08/90/40/176089040.db2.gz MOKUMGDZDGYUPN-MWLCHTKSSA-N 0 0 235.287 2.980 20 5 BFBDRN C[C@@H]1CCCC[C@H]1Nc1ccncc1[N+](=O)[O-] ZINC000020370331 176089364 /nfs/dbraw/zinc/08/93/64/176089364.db2.gz YYPXELOOOLRHNG-NXEZZACHSA-N 0 0 235.287 2.980 20 5 BFBDRN C[C@@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000174179850 176105905 /nfs/dbraw/zinc/10/59/05/176105905.db2.gz NCYCXOWOBQPPIS-SECBINFHSA-N 0 0 249.270 2.611 20 5 BFBDRN C[C@@H]1CCCN1Cc1csc([N+](=O)[O-])c1 ZINC000174417232 176110642 /nfs/dbraw/zinc/11/06/42/176110642.db2.gz UTJGCNLQDXZJJH-MRVPVSSYSA-N 0 0 226.301 2.641 20 5 BFBDRN C[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000172811402 176111174 /nfs/dbraw/zinc/11/11/74/176111174.db2.gz ICHMTJBJSBJIAO-SSDOTTSWSA-N 0 0 241.678 2.632 20 5 BFBDRN C[C@@H]1CCCN1c1ccccc1[N+](=O)[O-] ZINC000172811073 176111297 /nfs/dbraw/zinc/11/12/97/176111297.db2.gz TUKPTZUTTANWCX-SECBINFHSA-N 0 0 206.245 2.584 20 5 BFBDRN C[C@@H]1CCC[C@@H]1Nc1ccc(N)cc1[N+](=O)[O-] ZINC000287985618 176133222 /nfs/dbraw/zinc/13/32/22/176133222.db2.gz RLVOUTOIFGIZTQ-SCZZXKLOSA-N 0 0 235.287 2.778 20 5 BFBDRN C[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000037251616 176145336 /nfs/dbraw/zinc/14/53/36/176145336.db2.gz TXZPSEZRKMBSRZ-ZJUUUORDSA-N 0 0 235.287 2.980 20 5 BFBDRN C[C@@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000078512087 176149725 /nfs/dbraw/zinc/14/97/25/176149725.db2.gz LKFAKGFSKFRLFL-BXKDBHETSA-N 0 0 248.282 2.513 20 5 BFBDRN C[C@@H]1CC[C@@H](COc2cccc([N+](=O)[O-])c2)O1 ZINC000190598250 176206527 /nfs/dbraw/zinc/20/65/27/176206527.db2.gz BUGWVUWVRREPNL-SKDRFNHKSA-N 0 0 237.255 2.541 20 5 BFBDRN C[C@@H]1CC[C@@H]1Nc1ncc([N+](=O)[O-])cc1Cl ZINC000309431478 176217999 /nfs/dbraw/zinc/21/79/99/176217999.db2.gz LZKTVSFXPCHQLO-MUWHJKNJSA-N 0 0 241.678 2.854 20 5 BFBDRN C[C@@H]1CC[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000129629997 176235091 /nfs/dbraw/zinc/23/50/91/176235091.db2.gz BNIOBOJITKWDRC-BDAKNGLRSA-N 0 0 221.260 2.590 20 5 BFBDRN C[C@@H]1CSC[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000304520060 176356829 /nfs/dbraw/zinc/35/68/29/176356829.db2.gz PFKMHKWGGNEMJK-PSASIEDQSA-N 0 0 238.312 2.758 20 5 BFBDRN C[C@H](Nc1ncc([N+](=O)[O-])cn1)c1ccccc1 ZINC000040454342 176939232 /nfs/dbraw/zinc/93/92/32/176939232.db2.gz CNROBVOPBITRPI-VIFPVBQESA-N 0 0 244.254 2.558 20 5 BFBDRN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(F)F ZINC000112976074 177037474 /nfs/dbraw/zinc/03/74/74/177037474.db2.gz PXOUJZGAVAABTI-MRVPVSSYSA-N 0 0 244.241 2.853 20 5 BFBDRN C[C@H]1CCCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000302479221 177072227 /nfs/dbraw/zinc/07/22/27/177072227.db2.gz XQOUTAHSDXNVKC-JTQLQIEISA-N 0 0 235.287 2.616 20 5 BFBDRN C[C@@H]1[C@@H](C)CN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000293535510 177263651 /nfs/dbraw/zinc/26/36/51/177263651.db2.gz XJUBDQYQPZJZCM-DTWKUNHWSA-N 0 0 238.262 2.574 20 5 BFBDRN C[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000301453100 177277049 /nfs/dbraw/zinc/27/70/49/177277049.db2.gz QZJULBOSLVJTJB-IUCAKERBSA-N 0 0 238.262 2.826 20 5 BFBDRN C[C@H]1C[C@@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000227649360 177345774 /nfs/dbraw/zinc/34/57/74/177345774.db2.gz QBQPSFYOKZKSFM-NKWVEPMBSA-N 0 0 241.678 2.711 20 5 BFBDRN Cc1c(NCc2nccs2)cccc1[N+](=O)[O-] ZINC000062723938 177620010 /nfs/dbraw/zinc/62/00/10/177620010.db2.gz FYVNHGQALIJPKP-UHFFFAOYSA-N 0 0 249.295 2.972 20 5 BFBDRN Cc1cccc([N+](=O)[O-])c1N1C[C@H](C)[C@@H](C)C1 ZINC000499828682 226324657 /nfs/dbraw/zinc/32/46/57/226324657.db2.gz IIERSYRPBFSHKS-QWRGUYRKSA-N 0 0 234.299 2.995 20 5 BFBDRN C[C@H](F)CCOc1ccc([N+](=O)[O-])cc1F ZINC000505666273 226358362 /nfs/dbraw/zinc/35/83/62/226358362.db2.gz YLQITVIHPWLYPN-ZETCQYMHSA-N 0 0 231.198 2.861 20 5 BFBDRN C[C@H](Nc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000035239322 262841462 /nfs/dbraw/zinc/84/14/62/262841462.db2.gz FTVOJFHNXKBLLM-ZETCQYMHSA-N 0 0 224.235 2.944 20 5 BFBDRN Cc1ccnc(N2C[C@H](C)[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000569698319 323037582 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/nfs/dbraw/zinc/56/90/75/323569075.db2.gz YCAKOVDTJCZGFO-NXEZZACHSA-N 0 0 248.282 2.608 20 5 BFBDRN C[C@H]1CC[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000162440073 323617626 /nfs/dbraw/zinc/61/76/26/323617626.db2.gz DPEZFRUQFSSDBN-UWVGGRQHSA-N 0 0 248.282 2.608 20 5 BFBDRN COCCCCNc1ccc(F)cc1[N+](=O)[O-] ZINC000076798491 323793133 /nfs/dbraw/zinc/79/31/33/323793133.db2.gz KIJGIVJYJNFCCY-UHFFFAOYSA-N 0 0 242.250 2.572 20 5 BFBDRN C[C@@H]1C[C@H]1c1noc(-c2ccccc2[N+](=O)[O-])n1 ZINC000545767376 324117416 /nfs/dbraw/zinc/11/74/16/324117416.db2.gz CAXASZFGQYJGJA-VXNVDRBHSA-N 0 0 245.238 2.768 20 5 BFBDRN C[C@H](NCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000037176709 324394837 /nfs/dbraw/zinc/39/48/37/324394837.db2.gz VOHYXOZWSAIMQV-ZETCQYMHSA-N 0 0 248.204 2.808 20 5 BFBDRN Cc1cc(NC(=O)N2CCCC2)ccc1[N+](=O)[O-] ZINC000132181138 325203560 /nfs/dbraw/zinc/20/35/60/325203560.db2.gz ZXHWOPHMFAQAQS-UHFFFAOYSA-N 0 0 249.270 2.531 20 5 BFBDRN CC(C)c1noc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000545554285 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2.538 20 5 BFBDRN CCOC[C@@H](C)Oc1ccc([N+](=O)[O-])c(F)c1 ZINC001225911724 974725660 /nfs/dbraw/zinc/72/56/60/974725660.db2.gz ALXLDEKMRJUEHR-MRVPVSSYSA-N 0 0 243.234 2.538 20 5 BFBDRN Cc1ccnc(O[C@H]2C[C@H]3C=C[C@@H]2C3)c1[N+](=O)[O-] ZINC001226117725 974799067 /nfs/dbraw/zinc/79/90/67/974799067.db2.gz GINZNAHPQBUUSJ-AXFHLTTASA-N 0 0 246.266 2.642 20 5 BFBDRN Cc1ccnc(O[C@@H](C)C2CCC2)c1[N+](=O)[O-] ZINC001226115859 974799855 /nfs/dbraw/zinc/79/98/55/974799855.db2.gz JSSCIUSTWNBCQF-VIFPVBQESA-N 0 0 236.271 2.866 20 5 BFBDRN O=[N+]([O-])c1cnc(O[C@@H]2C=CCC2)c(Cl)c1 ZINC001226257018 974841404 /nfs/dbraw/zinc/84/14/04/974841404.db2.gz CCOUCJAFCCQSQI-MRVPVSSYSA-N 0 0 240.646 2.741 20 5 BFBDRN O=[N+]([O-])c1cccc(O)c1O[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001226333245 974862808 /nfs/dbraw/zinc/86/28/08/974862808.db2.gz IPHLUHCNPNCFEJ-YGOYTEALSA-N 0 0 247.250 2.644 20 5 BFBDRN COc1ccc([N+](=O)[O-])c(O[C@@H]2C=CCC2)c1 ZINC001226447299 974899896 /nfs/dbraw/zinc/89/98/96/974899896.db2.gz 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ZINC000052812159 178274387 /nfs/dbraw/zinc/27/43/87/178274387.db2.gz LZJULTSZWLKNLF-UHFFFAOYSA-N 0 0 233.227 2.503 20 5 BFBDRN Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC[C@H](F)C1 ZINC000340975041 178275292 /nfs/dbraw/zinc/27/52/92/178275292.db2.gz RGOYZZKWGCCJBG-IUCAKERBSA-N 0 0 239.250 2.601 20 5 BFBDRN Cc1cc([N+](=O)[O-])cnc1N[C@H]1C[C@H]1C1CC1 ZINC000362374764 178275293 /nfs/dbraw/zinc/27/52/93/178275293.db2.gz YTOAROOFXDFPAY-QWRGUYRKSA-N 0 0 233.271 2.509 20 5 BFBDRN Nc1c(F)c(NC2CCCC2)ccc1[N+](=O)[O-] ZINC000266881419 398248724 /nfs/dbraw/zinc/24/87/24/398248724.db2.gz XLTDZSPGFNDMMU-UHFFFAOYSA-N 0 0 239.250 2.671 20 5 BFBDRN CCC(CC)CNc1cccnc1[N+](=O)[O-] ZINC000083352633 168366068 /nfs/dbraw/zinc/36/60/68/168366068.db2.gz FFWBHAYBLMZMHL-UHFFFAOYSA-N 0 0 223.276 2.838 20 5 BFBDRN O=[N+]([O-])c1ccc(NCC2CCC2)cc1 ZINC000034653168 342726162 /nfs/dbraw/zinc/72/61/62/342726162.db2.gz MKFNEEWSXWHZGF-UHFFFAOYSA-N 0 0 206.245 2.807 20 5 BFBDRN O=[N+]([O-])c1ccnn1Cc1cc2ccccc2o1 ZINC000488705980 398283139 /nfs/dbraw/zinc/28/31/39/398283139.db2.gz RNGKBFANHJXJSK-UHFFFAOYSA-N 0 0 243.222 2.586 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(Sc2ncc[nH]2)c1 ZINC000301566137 398285190 /nfs/dbraw/zinc/28/51/90/398285190.db2.gz MFRSLAUXWYNKTP-UHFFFAOYSA-N 0 0 235.268 2.778 20 5 BFBDRN C[C@@H]1C[C@@H]1CNc1c(Cl)cncc1[N+](=O)[O-] ZINC000304408588 342834846 /nfs/dbraw/zinc/83/48/46/342834846.db2.gz XLCDZJYBOWTQSM-RNFRBKRXSA-N 0 0 241.678 2.711 20 5 BFBDRN C[C@@H](NCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000020084484 398303953 /nfs/dbraw/zinc/30/39/53/398303953.db2.gz FPEGESJQZFLFLX-SSDOTTSWSA-N 0 0 248.204 2.808 20 5 BFBDRN CCN(c1nc(C)cc(C)c1[N+](=O)[O-])C(C)C ZINC000359080466 342873435 /nfs/dbraw/zinc/87/34/35/342873435.db2.gz FXBZMNCHELSTFF-UHFFFAOYSA-N 0 0 237.303 2.841 20 5 BFBDRN C[C@@H](CCO)Sc1c(F)cccc1[N+](=O)[O-] ZINC000304576403 342897366 /nfs/dbraw/zinc/89/73/66/342897366.db2.gz RUASWUWDVQYCEF-ZETCQYMHSA-N 0 0 245.275 2.597 20 5 BFBDRN Cc1cn(CCSC(C)(C)C)nc1[N+](=O)[O-] ZINC000283395550 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Cc1c(NC[C@H]2C[C@H]2C)cccc1[N+](=O)[O-] ZINC000167125966 346197924 /nfs/dbraw/zinc/19/79/24/346197924.db2.gz QFRXSRBUKKNVSH-PSASIEDQSA-N 0 0 220.272 2.971 20 5 BFBDRN CC[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000005593253 346267604 /nfs/dbraw/zinc/26/76/04/346267604.db2.gz PZZACMLPDREPPW-MRVPVSSYSA-N 0 0 236.271 2.888 20 5 BFBDRN O=[N+]([O-])c1cc(F)cnc1N1CCCCCC1 ZINC000401182954 346398074 /nfs/dbraw/zinc/39/80/74/346398074.db2.gz HPUWBEGIJWWSPY-UHFFFAOYSA-N 0 0 239.250 2.509 20 5 BFBDRN Cc1cc(N2CC(C(C)(C)C)C2)ncc1[N+](=O)[O-] ZINC000575018254 346429214 /nfs/dbraw/zinc/42/92/14/346429214.db2.gz CCNCABZPGWOQHG-UHFFFAOYSA-N 0 0 249.314 2.781 20 5 BFBDRN C[C@H]1CCCC[C@@H]1Nc1cccnc1[N+](=O)[O-] ZINC000159283354 349961488 /nfs/dbraw/zinc/96/14/88/349961488.db2.gz WIZGMOHCBLNNMS-UWVGGRQHSA-N 0 0 235.287 2.980 20 5 BFBDRN Cc1cccc(N(C)CC(C)C)c1[N+](=O)[O-] ZINC000338651062 179116144 /nfs/dbraw/zinc/11/61/44/179116144.db2.gz ADOIWYQMOYSVRI-UHFFFAOYSA-N 0 0 222.288 2.995 20 5 BFBDRN Cc1cccc(N2CCC(F)(F)C2)c1[N+](=O)[O-] ZINC000338687171 179122792 /nfs/dbraw/zinc/12/27/92/179122792.db2.gz ARGHOHSAIXENAN-UHFFFAOYSA-N 0 0 242.225 2.749 20 5 BFBDRN Cc1ccnc(CNc2sccc2[N+](=O)[O-])c1 ZINC000590143586 346780412 /nfs/dbraw/zinc/78/04/12/346780412.db2.gz RZPWLYDQDBJDNU-UHFFFAOYSA-N 0 0 249.295 2.972 20 5 BFBDRN Cc1ocnc1CNc1cccc(C)c1[N+](=O)[O-] ZINC000275382777 179151416 /nfs/dbraw/zinc/15/14/16/179151416.db2.gz BNSRGRCKTQTDFI-UHFFFAOYSA-N 0 0 247.254 2.812 20 5 BFBDRN C[C@@H]1CCN1c1c2ccccc2ncc1[N+](=O)[O-] ZINC000589860766 346744642 /nfs/dbraw/zinc/74/46/42/346744642.db2.gz ZZNIDWNFWISNCH-SECBINFHSA-N 0 0 243.266 2.742 20 5 BFBDRN O=[N+]([O-])c1ncccc1N1CCC(C2CC2)CC1 ZINC000589874063 346748918 /nfs/dbraw/zinc/74/89/18/346748918.db2.gz XWMBXLRABSMFEB-UHFFFAOYSA-N 0 0 247.298 2.616 20 5 BFBDRN Cc1ncc([N+](=O)[O-])c(OCCCCF)c1C ZINC000582073797 347175719 /nfs/dbraw/zinc/17/57/19/347175719.db2.gz PYOOMPUKCLWLMA-UHFFFAOYSA-N 0 0 242.250 2.735 20 5 BFBDRN Cc1cccc([N+](=O)[O-])c1N(C)CC(C)C ZINC000338926378 179206209 /nfs/dbraw/zinc/20/62/09/179206209.db2.gz DAFFDJQVUQQCRH-UHFFFAOYSA-N 0 0 222.288 2.995 20 5 BFBDRN Cc1cccc([N+](=O)[O-])c1NCC(F)F ZINC000098000818 179206519 /nfs/dbraw/zinc/20/65/19/179206519.db2.gz MEFJDXHXCSPILS-UHFFFAOYSA-N 0 0 216.187 2.580 20 5 BFBDRN CC[C@@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000190315426 347327339 /nfs/dbraw/zinc/32/73/39/347327339.db2.gz QBRGEUWWFUVOJK-MRVPVSSYSA-N 0 0 241.316 2.678 20 5 BFBDRN CC(C)[C@@H]1C[C@H]1CNc1cccnc1[N+](=O)[O-] ZINC000590723610 347494131 /nfs/dbraw/zinc/49/41/31/347494131.db2.gz WWBSAASRTUNJGC-UWVGGRQHSA-N 0 0 235.287 2.694 20 5 BFBDRN CC1(C)OCC[C@@H]1Nc1ccc([N+](=O)[O-])s1 ZINC000590710774 347498641 /nfs/dbraw/zinc/49/86/41/347498641.db2.gz NVDPDYQGBTVAOP-ZETCQYMHSA-N 0 0 242.300 2.636 20 5 BFBDRN C[C@@H](CCCCO)Nc1sccc1[N+](=O)[O-] ZINC000590711743 347498675 /nfs/dbraw/zinc/49/86/75/347498675.db2.gz BGWCMWIAKHGIRU-QMMMGPOBSA-N 0 0 244.316 2.619 20 5 BFBDRN CC[C@H](O)CSc1ccc([N+](=O)[O-])cc1F ZINC000591128912 347623844 /nfs/dbraw/zinc/62/38/44/347623844.db2.gz OSDROKDOAGHEOW-QMMMGPOBSA-N 0 0 245.275 2.597 20 5 BFBDRN Cc1cc(N(C)C2CC(C)(C)C2)ncc1[N+](=O)[O-] ZINC000591181205 347625455 /nfs/dbraw/zinc/62/54/55/347625455.db2.gz YGDJCWJTRFXBLN-UHFFFAOYSA-N 0 0 249.314 2.923 20 5 BFBDRN C[C@@H](Nc1ncc([N+](=O)[O-])cc1F)C1CCC1 ZINC000591152830 347626070 /nfs/dbraw/zinc/62/60/70/347626070.db2.gz BGRCETYXPHBVKN-SSDOTTSWSA-N 0 0 239.250 2.729 20 5 BFBDRN C[C@H](Nc1ncc([N+](=O)[O-])cc1F)C1CCC1 ZINC000591152831 347626213 /nfs/dbraw/zinc/62/62/13/347626213.db2.gz BGRCETYXPHBVKN-ZETCQYMHSA-N 0 0 239.250 2.729 20 5 BFBDRN C[C@@H]1C[C@@H](Nc2sccc2[N+](=O)[O-])CS1 ZINC000591192085 347628996 /nfs/dbraw/zinc/62/89/96/347628996.db2.gz NDZWMIBSRCQWFH-RNFRBKRXSA-N 0 0 244.341 2.962 20 5 BFBDRN O=[N+]([O-])c1cccnc1N1CC[C@H](C2CCC2)C1 ZINC000591204236 347630438 /nfs/dbraw/zinc/63/04/38/347630438.db2.gz MICZWRXXIOBCDV-NSHDSACASA-N 0 0 247.298 2.616 20 5 BFBDRN CN(Cc1ccco1)c1ccsc1[N+](=O)[O-] ZINC000063256185 347827437 /nfs/dbraw/zinc/82/74/37/347827437.db2.gz JHIBUPFDHRVSFB-UHFFFAOYSA-N 0 0 238.268 2.886 20 5 BFBDRN C[C@@H]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000201127001 347872055 /nfs/dbraw/zinc/87/20/55/347872055.db2.gz QVEKGNWANCPNJS-SSDOTTSWSA-N 0 0 242.225 2.719 20 5 BFBDRN O=[N+]([O-])c1ccc(Cn2cc(C3CC3)cn2)cc1 ZINC000593237667 347873661 /nfs/dbraw/zinc/87/36/61/347873661.db2.gz OSOIWGDKSMZGGV-UHFFFAOYSA-N 0 0 243.266 2.717 20 5 BFBDRN O=[N+]([O-])c1ccc(NC2CC3(CCC3)C2)cn1 ZINC000593515807 347903157 /nfs/dbraw/zinc/90/31/57/347903157.db2.gz IDNOHWYCGKUSSS-UHFFFAOYSA-N 0 0 233.271 2.734 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CCCC(F)(F)C2)s1 ZINC000593486990 347904617 /nfs/dbraw/zinc/90/46/17/347904617.db2.gz JMHMMZUVRBSEQO-UHFFFAOYSA-N 0 0 248.254 2.892 20 5 BFBDRN CC1(Nc2ncc([N+](=O)[O-])s2)CC=CC1 ZINC000594591345 348079322 /nfs/dbraw/zinc/07/93/22/348079322.db2.gz REDISHXWDAFXTQ-UHFFFAOYSA-N 0 0 225.273 2.572 20 5 BFBDRN O=[N+]([O-])c1ncn(CCC2CCCCCC2)n1 ZINC000594455000 348059204 /nfs/dbraw/zinc/05/92/04/348059204.db2.gz XJYDOLUUQSRATC-UHFFFAOYSA-N 0 0 238.291 2.547 20 5 BFBDRN O=[N+]([O-])c1ncccc1OCCCC1CCC1 ZINC000594880055 348119468 /nfs/dbraw/zinc/11/94/68/348119468.db2.gz BDCBKFQBFRUIMF-UHFFFAOYSA-N 0 0 236.271 2.949 20 5 BFBDRN CCCCN(CC)Cc1onc(C)c1[N+](=O)[O-] ZINC000595289855 348213324 /nfs/dbraw/zinc/21/33/24/348213324.db2.gz VURSGCMHWNLLAV-UHFFFAOYSA-N 0 0 241.291 2.513 20 5 BFBDRN C[C@@H]1C[C@@H](C)N1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595467563 348258717 /nfs/dbraw/zinc/25/87/17/348258717.db2.gz HWKFENYCUPTBKA-RKDXNWHRSA-N 0 0 238.262 2.717 20 5 BFBDRN Cc1cccnc1CNc1ccc([N+](=O)[O-])cc1 ZINC000109398387 179384489 /nfs/dbraw/zinc/38/44/89/179384489.db2.gz OUYHZEKLACBQRJ-UHFFFAOYSA-N 0 0 243.266 2.910 20 5 BFBDRN CCCCNc1cc(OC)ccc1[N+](=O)[O-] ZINC000082681739 348340189 /nfs/dbraw/zinc/34/01/89/348340189.db2.gz SUMZLZUTDUILAX-UHFFFAOYSA-N 0 0 224.260 2.815 20 5 BFBDRN Cc1cc(NCC2CC2)c([N+](=O)[O-])s1 ZINC000596071146 348437975 /nfs/dbraw/zinc/43/79/75/348437975.db2.gz XDFKYZMTZBYHLF-UHFFFAOYSA-N 0 0 212.274 2.787 20 5 BFBDRN C[C@H](Nc1cccnc1[N+](=O)[O-])c1cccnc1 ZINC000159297922 349988207 /nfs/dbraw/zinc/98/82/07/349988207.db2.gz TZSJKMYVPLWJRB-VIFPVBQESA-N 0 0 244.254 2.558 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N2C[C@H](C)[C@H]2C)c1 ZINC000596246915 348486395 /nfs/dbraw/zinc/48/63/95/348486395.db2.gz GMIHQFCEYNNVHZ-VHSXEESVSA-N 0 0 220.272 2.748 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N2C[C@H](C)[C@@H]2C)c1 ZINC000596246914 348486494 /nfs/dbraw/zinc/48/64/94/348486494.db2.gz GMIHQFCEYNNVHZ-UWVGGRQHSA-N 0 0 220.272 2.748 20 5 BFBDRN Cc1cc(N2C[C@H](C)[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000596247290 348486907 /nfs/dbraw/zinc/48/69/07/348486907.db2.gz JSHQQYBAXHPDGJ-DTWKUNHWSA-N 0 0 238.262 2.887 20 5 BFBDRN Cc1cc(N2C[C@H](C)[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000596247292 348486938 /nfs/dbraw/zinc/48/69/38/348486938.db2.gz JSHQQYBAXHPDGJ-IUCAKERBSA-N 0 0 238.262 2.887 20 5 BFBDRN Cc1cc(N2C[C@@H](C)[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000596247294 348487007 /nfs/dbraw/zinc/48/70/07/348487007.db2.gz JSHQQYBAXHPDGJ-RKDXNWHRSA-N 0 0 238.262 2.887 20 5 BFBDRN Cc1cc(N[C@H]2CC23CC3)c([N+](=O)[O-])s1 ZINC000596282053 348487516 /nfs/dbraw/zinc/48/75/16/348487516.db2.gz ZAYXWZSEVIGFAB-QMMMGPOBSA-N 0 0 224.285 2.929 20 5 BFBDRN Cc1cc(N[C@H]2CO[C@H](C)C2)c([N+](=O)[O-])s1 ZINC000596290349 348488936 /nfs/dbraw/zinc/48/89/36/348488936.db2.gz DJKBVXKAVRJBNW-HTRCEHHLSA-N 0 0 242.300 2.554 20 5 BFBDRN Cc1ccnc(Oc2ccc(F)nc2)c1[N+](=O)[O-] ZINC000161252513 179462704 /nfs/dbraw/zinc/46/27/04/179462704.db2.gz KGYMLEJHMNLUTO-UHFFFAOYSA-N 0 0 249.201 2.625 20 5 BFBDRN Cc1cc(NC2CCOCC2)c([N+](=O)[O-])s1 ZINC000596088469 348443578 /nfs/dbraw/zinc/44/35/78/348443578.db2.gz OTWCMWHATDEODI-UHFFFAOYSA-N 0 0 242.300 2.556 20 5 BFBDRN CCCN(C)c1cc(C)sc1[N+](=O)[O-] ZINC000596093998 348445019 /nfs/dbraw/zinc/44/50/19/348445019.db2.gz FYJOBKMWCZWEPA-UHFFFAOYSA-N 0 0 214.290 2.811 20 5 BFBDRN Cc1cc(SC[C@H](C)CO)c([N+](=O)[O-])s1 ZINC000596138943 348449094 /nfs/dbraw/zinc/44/90/94/348449094.db2.gz PISMTZDFZNNJBU-ZCFIWIBFSA-N 0 0 247.341 2.685 20 5 BFBDRN C[C@H]1CCCN1c1c(Cl)cncc1[N+](=O)[O-] ZINC000596145850 348451429 /nfs/dbraw/zinc/45/14/29/348451429.db2.gz YQHHFQALEYKFQG-ZETCQYMHSA-N 0 0 241.678 2.632 20 5 BFBDRN Cc1cc(N2CCC(F)(F)C2)c([N+](=O)[O-])s1 ZINC000596184746 348456291 /nfs/dbraw/zinc/45/62/91/348456291.db2.gz VZQREGBVOAQVJR-UHFFFAOYSA-N 0 0 248.254 2.810 20 5 BFBDRN C[C@@H]1[C@@H](C)CN1c1sccc1[N+](=O)[O-] ZINC000596247776 348471947 /nfs/dbraw/zinc/47/19/47/348471947.db2.gz LNKFRFRGIJFEKH-NKWVEPMBSA-N 0 0 212.274 2.501 20 5 BFBDRN C[C@H]1CN(c2sccc2[N+](=O)[O-])[C@H]1C ZINC000596247775 348471966 /nfs/dbraw/zinc/47/19/66/348471966.db2.gz LNKFRFRGIJFEKH-BQBZGAKWSA-N 0 0 212.274 2.501 20 5 BFBDRN Cc1cc(N2C[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596247704 348472088 /nfs/dbraw/zinc/47/20/88/348472088.db2.gz LAIGMBNYUAWEGS-UWVGGRQHSA-N 0 0 220.272 2.748 20 5 BFBDRN Cc1cc(N2C[C@@H](C)[C@@H]2C)c([N+](=O)[O-])s1 ZINC000596251898 348474224 /nfs/dbraw/zinc/47/42/24/348474224.db2.gz YSPKCIJEVQQVNH-SVRRBLITSA-N 0 0 226.301 2.809 20 5 BFBDRN Cc1cc(C)n(Cc2ccc(F)cc2[N+](=O)[O-])n1 ZINC000596257916 348476796 /nfs/dbraw/zinc/47/67/96/348476796.db2.gz UIJBIZXRNHHHJR-UHFFFAOYSA-N 0 0 249.245 2.596 20 5 BFBDRN Cc1noc(COc2ccccc2C)c1[N+](=O)[O-] ZINC000596239201 348483258 /nfs/dbraw/zinc/48/32/58/348483258.db2.gz PNMJHQUEMGTKOA-UHFFFAOYSA-N 0 0 248.238 2.779 20 5 BFBDRN CC[C@@H](C)CCNc1ccc([N+](=O)[O-])nc1 ZINC000596416624 348540644 /nfs/dbraw/zinc/54/06/44/348540644.db2.gz UDPYRVUHSSFEGU-SECBINFHSA-N 0 0 223.276 2.838 20 5 BFBDRN Cc1cn(CCCC2CCC2)nc1[N+](=O)[O-] ZINC000596279111 348495572 /nfs/dbraw/zinc/49/55/72/348495572.db2.gz PNJHVYHYPSUDFE-UHFFFAOYSA-N 0 0 223.276 2.680 20 5 BFBDRN Cc1noc(CSCCC2CC2)c1[N+](=O)[O-] ZINC000596355758 348520792 /nfs/dbraw/zinc/52/07/92/348520792.db2.gz JNAOACIIBADTMX-UHFFFAOYSA-N 0 0 242.300 2.925 20 5 BFBDRN Cc1nc(N(C)C[C@@H]2CC2(C)C)ccc1[N+](=O)[O-] ZINC000596566856 348581004 /nfs/dbraw/zinc/58/10/04/348581004.db2.gz JMOOFYINWHDJDF-JTQLQIEISA-N 0 0 249.314 2.781 20 5 BFBDRN CC1C[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])nc1 ZINC000596539132 348582433 /nfs/dbraw/zinc/58/24/33/348582433.db2.gz ZCQAZEZSTHYXEF-FGWVZKOKSA-N 0 0 247.298 2.757 20 5 BFBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCF ZINC000596618962 348594648 /nfs/dbraw/zinc/59/46/48/348594648.db2.gz FPXKRXRQQRJZPU-UHFFFAOYSA-N 0 0 240.234 2.591 20 5 BFBDRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000596619269 348595059 /nfs/dbraw/zinc/59/50/59/348595059.db2.gz FXBKTPDBMCAIJA-MYJAWHEDSA-N 0 0 246.266 2.579 20 5 BFBDRN Cc1n[nH]c(C)c1-c1ccc(C)c([N+](=O)[O-])c1 ZINC000596638720 348598706 /nfs/dbraw/zinc/59/87/06/348598706.db2.gz BMFQRAKDVBIFBK-UHFFFAOYSA-N 0 0 231.255 2.910 20 5 BFBDRN CC[C@H](Nc1ncc([N+](=O)[O-])cc1F)C1CC1 ZINC000596486400 348559274 /nfs/dbraw/zinc/55/92/74/348559274.db2.gz XLXQXGKQVIPAAR-JTQLQIEISA-N 0 0 239.250 2.729 20 5 BFBDRN Cc1cnc(NCCC(C)(C)F)c([N+](=O)[O-])c1 ZINC000596468937 348562873 /nfs/dbraw/zinc/56/28/73/348562873.db2.gz PZLOWXSSOQKLQC-UHFFFAOYSA-N 0 0 241.266 2.848 20 5 BFBDRN Cc1cnc(CNc2cccc([N+](=O)[O-])c2C)o1 ZINC000152266358 179612512 /nfs/dbraw/zinc/61/25/12/179612512.db2.gz YKMPKBLXXYXCRJ-UHFFFAOYSA-N 0 0 247.254 2.812 20 5 BFBDRN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000598233989 348916661 /nfs/dbraw/zinc/91/66/61/348916661.db2.gz UHWZLURGEZEVPI-LBPRGKRZSA-N 0 0 248.282 2.513 20 5 BFBDRN O=[N+]([O-])c1cc(C[NH2+]CC2CC=CC2)cs1 ZINC000598991731 349072999 /nfs/dbraw/zinc/07/29/99/349072999.db2.gz DPJTUMFYTKBRPT-UHFFFAOYSA-N 0 0 238.312 2.712 20 5 BFBDRN C[C@@H]1CCN1c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599028696 349079475 /nfs/dbraw/zinc/07/94/75/349079475.db2.gz VGIMBJHNLKUVAA-SECBINFHSA-N 0 0 243.266 2.742 20 5 BFBDRN Cc1cc(NCC(F)(F)F)c([N+](=O)[O-])s1 ZINC000599028783 349079779 /nfs/dbraw/zinc/07/97/79/349079779.db2.gz YBKAAVHHFXPVSN-UHFFFAOYSA-N 0 0 240.206 2.939 20 5 BFBDRN O=[N+]([O-])c1cnccc1NCC[C@@H]1CC=CCC1 ZINC000599156021 349107718 /nfs/dbraw/zinc/10/77/18/349107718.db2.gz QSIISHNHKWMNPC-LLVKDONJSA-N 0 0 247.298 2.570 20 5 BFBDRN CC1(C)OC[C@@H]2C[C@@]21Nc1ccc([N+](=O)[O-])cc1 ZINC000599140992 349098415 /nfs/dbraw/zinc/09/84/15/349098415.db2.gz CUTGKSMACNVSEG-TVQRCGJNSA-N 0 0 248.282 2.574 20 5 BFBDRN C/C=C/CNc1c(OC)cccc1[N+](=O)[O-] ZINC000599171442 349110993 /nfs/dbraw/zinc/11/09/93/349110993.db2.gz HHYHFUTZNCKQAV-ONEGZZNKSA-N 0 0 222.244 2.591 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@H]2CO[C@H](C3CC3)C2)cc1 ZINC000599180584 349122235 /nfs/dbraw/zinc/12/22/35/349122235.db2.gz MBCYSAWMXJPFAS-YPMHNXCESA-N 0 0 248.282 2.574 20 5 BFBDRN C[C@@H]1CCCN(c2ncc([N+](=O)[O-])s2)[C@H]1C ZINC000249214983 349162394 /nfs/dbraw/zinc/16/23/94/349162394.db2.gz DSEXJCLZOVMHGB-SFYZADRCSA-N 0 0 241.316 2.676 20 5 BFBDRN O=[N+]([O-])c1ccsc1N[C@@H]1C[C@H]1C1CC1 ZINC000308939658 349170340 /nfs/dbraw/zinc/17/03/40/349170340.db2.gz PMVPCNGTHCPFOG-JGVFFNPUSA-N 0 0 224.285 2.867 20 5 BFBDRN C[C@@H]1CCC[C@H](Nc2cccnc2[N+](=O)[O-])C1 ZINC000159326721 350022777 /nfs/dbraw/zinc/02/27/77/350022777.db2.gz GXECFFHNQUJVGS-ZJUUUORDSA-N 0 0 235.287 2.980 20 5 BFBDRN Cc1nc(N2CCC[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000364406599 180001960 /nfs/dbraw/zinc/00/19/60/180001960.db2.gz BXXXYZASYPCXNX-LBPRGKRZSA-N 0 0 247.298 2.677 20 5 BFBDRN Cc1nc(N2CCCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000274750596 180002355 /nfs/dbraw/zinc/00/23/55/180002355.db2.gz PGZGDTWIVDXDCO-JTQLQIEISA-N 0 0 249.314 2.925 20 5 BFBDRN Cc1nc(N2CCC[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000364406598 180002849 /nfs/dbraw/zinc/00/28/49/180002849.db2.gz BXXXYZASYPCXNX-GFCCVEGCSA-N 0 0 247.298 2.677 20 5 BFBDRN Cc1nc(NCC2CCC2)ccc1[N+](=O)[O-] ZINC000161520175 180017947 /nfs/dbraw/zinc/01/79/47/180017947.db2.gz DPHDUTIPKFPQAH-UHFFFAOYSA-N 0 0 221.260 2.510 20 5 BFBDRN Cc1nc(NCCc2ccco2)ccc1[N+](=O)[O-] ZINC000132569758 180019705 /nfs/dbraw/zinc/01/97/05/180019705.db2.gz BFCSMGIQOLWAFQ-UHFFFAOYSA-N 0 0 247.254 2.546 20 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CC[C@@H](Nc1ncccc1[N+](=O)[O-])C1CC1 ZINC000324403314 350296641 /nfs/dbraw/zinc/29/66/41/350296641.db2.gz CSFQKOYQQQRHAQ-SECBINFHSA-N 0 0 221.260 2.590 20 5 BFBDRN CC[C@H](Nc1cc(C)c([N+](=O)[O-])cn1)C1CC1 ZINC000324353204 350297926 /nfs/dbraw/zinc/29/79/26/350297926.db2.gz UUMNJCBLYKRVCD-JTQLQIEISA-N 0 0 235.287 2.899 20 5 BFBDRN Cc1nn(C)c(Sc2ccccc2)c1[N+](=O)[O-] ZINC000078727361 180362033 /nfs/dbraw/zinc/36/20/33/180362033.db2.gz CQPYNGCBAYHSBT-UHFFFAOYSA-N 0 0 249.295 2.788 20 5 BFBDRN Cc1nn(C2CCCC2)c(C)c1[N+](=O)[O-] ZINC000181868078 180385065 /nfs/dbraw/zinc/38/50/65/180385065.db2.gz KXHDICOZNJRXJF-UHFFFAOYSA-N 0 0 209.249 2.523 20 5 BFBDRN Cc1nn([C@@H](C)c2ccccc2F)cc1[N+](=O)[O-] ZINC000295275089 180392025 /nfs/dbraw/zinc/39/20/25/180392025.db2.gz IATNKSKBGIQTJD-VIFPVBQESA-N 0 0 249.245 2.848 20 5 BFBDRN Cc1nn(CC2CCCC2)c(C)c1[N+](=O)[O-] ZINC000298514406 180386728 /nfs/dbraw/zinc/38/67/28/180386728.db2.gz OXWXDVVVUIXDHT-UHFFFAOYSA-N 0 0 223.276 2.598 20 5 BFBDRN 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CCC[C@@H]1C[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000231663825 351046336 /nfs/dbraw/zinc/04/63/36/351046336.db2.gz BOXFEJBTDWCZGG-PSASIEDQSA-N 0 0 221.260 2.590 20 5 BFBDRN CC[C@@H](C)C(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000073446277 351120560 /nfs/dbraw/zinc/12/05/60/351120560.db2.gz YGUSWSJRSVXQOC-SECBINFHSA-N 0 0 248.282 2.530 20 5 BFBDRN Cc1cnc(N[C@@H](C)C2CCC2)c([N+](=O)[O-])c1 ZINC000159986398 351298332 /nfs/dbraw/zinc/29/83/32/351298332.db2.gz QURLDTHNJNQIBD-VIFPVBQESA-N 0 0 235.287 2.899 20 5 BFBDRN CC(=O)c1ccc(OCC2CCC2)c([N+](=O)[O-])c1 ZINC000338162477 187499659 /nfs/dbraw/zinc/49/96/59/187499659.db2.gz SXPBIFWVMHXQIO-UHFFFAOYSA-N 0 0 249.266 2.976 20 5 BFBDRN O=[N+]([O-])c1cnc(N[C@@H]2CC[C@H]3C[C@H]3C2)s1 ZINC000403442476 351830303 /nfs/dbraw/zinc/83/03/03/351830303.db2.gz WCWJVONEFZOZRB-BIIVOSGPSA-N 0 0 239.300 2.652 20 5 BFBDRN CCCCCCNc1ccc([N+](=O)[O-])cn1 ZINC000057681825 168670607 /nfs/dbraw/zinc/67/06/07/168670607.db2.gz CUYUTHVWTRCVPY-UHFFFAOYSA-N 0 0 223.276 2.982 20 5 BFBDRN C[C@@H]1C[C@@H]1CNc1sccc1[N+](=O)[O-] ZINC000307438648 352594341 /nfs/dbraw/zinc/59/43/41/352594341.db2.gz VZHVMBVGGPFCOV-RNFRBKRXSA-N 0 0 212.274 2.724 20 5 BFBDRN CC(F)(F)CNc1ccc([N+](=O)[O-])s1 ZINC000307406906 352575861 /nfs/dbraw/zinc/57/58/61/352575861.db2.gz FLTMRKZMACVQFY-UHFFFAOYSA-N 0 0 222.216 2.723 20 5 BFBDRN COc1ccc([N+](=O)[O-])c(N(C)CC(C)C)c1 ZINC000338654370 187840139 /nfs/dbraw/zinc/84/01/39/187840139.db2.gz RSJZLHRGIIDVKG-UHFFFAOYSA-N 0 0 238.287 2.696 20 5 BFBDRN COCc1cc([N+](=O)[O-])ccc1NC1CCC1 ZINC000266997042 187845307 /nfs/dbraw/zinc/84/53/07/187845307.db2.gz XCTDWUHFWQKOGV-UHFFFAOYSA-N 0 0 236.271 2.706 20 5 BFBDRN CC(C)N(C)c1c(F)cc([N+](=O)[O-])cc1F ZINC000301803539 188060085 /nfs/dbraw/zinc/06/00/85/188060085.db2.gz UWFGMKNBTSKOBZ-UHFFFAOYSA-N 0 0 230.214 2.718 20 5 BFBDRN C/C(=C/c1cccc([N+](=O)[O-])c1)c1cnccn1 ZINC000354314296 188061958 /nfs/dbraw/zinc/06/19/58/188061958.db2.gz BFEYACHPKGGGEL-YFHOEESVSA-N 0 0 241.250 2.945 20 5 BFBDRN CC(C)OC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000232668924 353155388 /nfs/dbraw/zinc/15/53/88/353155388.db2.gz MDIFMGAWLHKLDW-SECBINFHSA-N 0 0 237.255 2.650 20 5 BFBDRN CC1(C)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC000044367767 188084865 /nfs/dbraw/zinc/08/48/65/188084865.db2.gz RQAYUCVNWZLSFN-JTQLQIEISA-N 0 0 224.235 2.944 20 5 BFBDRN Cc1ccc(CNc2ccc([N+](=O)[O-])s2)cn1 ZINC000048999801 353163086 /nfs/dbraw/zinc/16/30/86/353163086.db2.gz ZBPWLVQWNNKUCI-UHFFFAOYSA-N 0 0 249.295 2.972 20 5 BFBDRN CC(=O)COc1ccc([N+](=O)[O-])c2ccccc12 ZINC000104188808 188160320 /nfs/dbraw/zinc/16/03/20/188160320.db2.gz KGKYKTBIHRMVFF-UHFFFAOYSA-N 0 0 245.234 2.716 20 5 BFBDRN CC(C)C[C@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000189681758 353311380 /nfs/dbraw/zinc/31/13/80/353311380.db2.gz MOAYROLKCIOTOV-ZETCQYMHSA-N 0 0 229.305 2.898 20 5 BFBDRN CCCCCNc1ncc([N+](=O)[O-])s1 ZINC000189680660 353311598 /nfs/dbraw/zinc/31/15/98/353311598.db2.gz OBJRLTWSVPYEJS-UHFFFAOYSA-N 0 0 215.278 2.653 20 5 BFBDRN 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CCC1CN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000413363878 191374712 /nfs/dbraw/zinc/37/47/12/191374712.db2.gz NFLVYBSZXBBURY-UHFFFAOYSA-N 0 0 224.235 2.580 20 5 BFBDRN CC(C)[C@@H]1C[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000413431883 191379542 /nfs/dbraw/zinc/37/95/42/191379542.db2.gz HDQJKMAYUFUVMG-NKWVEPMBSA-N 0 0 227.289 2.508 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@@H](F)C2)nc1 ZINC000583497158 355327023 /nfs/dbraw/zinc/32/70/23/355327023.db2.gz XSDYSDFFNOTQBH-RKDXNWHRSA-N 0 0 239.250 2.682 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]2c2ccco2)nc1 ZINC000413605079 191399113 /nfs/dbraw/zinc/39/91/13/191399113.db2.gz NRPBMDQWWDFTGF-NXEZZACHSA-N 0 0 245.238 2.551 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]2c2ccco2)cn1 ZINC000413605044 191399461 /nfs/dbraw/zinc/39/94/61/191399461.db2.gz NMEXSXWOJNTROI-NXEZZACHSA-N 0 0 245.238 2.551 20 5 BFBDRN O=[N+]([O-])c1ccc(-c2noc(CC3CC3)n2)cc1 ZINC000349866411 355512915 /nfs/dbraw/zinc/51/29/15/355512915.db2.gz NKCURQRHJLFTGH-UHFFFAOYSA-N 0 0 245.238 2.597 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C[C@H]1CCC[C@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000230691459 371949110 /nfs/dbraw/zinc/94/91/10/371949110.db2.gz KVLGRMJJFXLXCS-UWVGGRQHSA-N 0 0 235.287 2.838 20 5 BFBDRN Cc1cc(N[C@@H](C)C(F)F)ccc1[N+](=O)[O-] ZINC000228510666 372037140 /nfs/dbraw/zinc/03/71/40/372037140.db2.gz MDILYSHNRBHKOW-ZETCQYMHSA-N 0 0 230.214 2.969 20 5 BFBDRN CCCCN(c1ncccc1[N+](=O)[O-])C1CC1 ZINC000268585740 168823392 /nfs/dbraw/zinc/82/33/92/168823392.db2.gz LQHVXQSBDPZWOQ-UHFFFAOYSA-N 0 0 235.287 2.759 20 5 BFBDRN C[C@@H](CC(F)(F)F)Nc1ncccc1[N+](=O)[O-] ZINC000231748976 372074616 /nfs/dbraw/zinc/07/46/16/372074616.db2.gz HFGIQHBNXOWFQU-LURJTMIESA-N 0 0 249.192 2.743 20 5 BFBDRN O=[N+]([O-])c1ccsc1N1CCCCC1 ZINC000038892312 372807325 /nfs/dbraw/zinc/80/73/25/372807325.db2.gz FTBRGXJNTXLNOP-UHFFFAOYSA-N 0 0 212.274 2.647 20 5 BFBDRN O=C(COc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000135027123 182001362 /nfs/dbraw/zinc/00/13/62/182001362.db2.gz TVZZMLVRBTZITK-UHFFFAOYSA-N 0 0 249.266 2.733 20 5 BFBDRN 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134369974 /nfs/dbraw/zinc/36/99/74/134369974.db2.gz QTVDOJVCZRZEET-UHFFFAOYSA-N 0 0 221.260 2.592 20 5 BFBDRN Cc1ccc(NC(=O)C2=CCC2)cc1[N+](=O)[O-] ZINC000334260403 383848583 /nfs/dbraw/zinc/84/85/83/383848583.db2.gz RPRGRQYKHZRNBM-UHFFFAOYSA-N 0 0 232.239 2.562 20 5 BFBDRN C[C@@H]1CC[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000156924923 383864398 /nfs/dbraw/zinc/86/43/98/383864398.db2.gz YENHCFDPRZBGJE-NXEZZACHSA-N 0 0 248.282 2.513 20 5 BFBDRN O=[N+]([O-])c1ncccc1NC1CCCCC1 ZINC000156934890 383877696 /nfs/dbraw/zinc/87/76/96/383877696.db2.gz QCBAXKWABUXROV-UHFFFAOYSA-N 0 0 221.260 2.734 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(S[C@H](C)[C@@H](C)O)c1 ZINC000088726468 383920274 /nfs/dbraw/zinc/92/02/74/383920274.db2.gz JNQQCAVZLCBEFW-RKDXNWHRSA-N 0 0 241.312 2.765 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(NCC2=CCCOC2)c1 ZINC000288623009 383925979 /nfs/dbraw/zinc/92/59/79/383925979.db2.gz VWMNGDNGINAGFR-UHFFFAOYSA-N 0 0 248.282 2.662 20 5 BFBDRN C[C@@H]1C[C@H](C)N1Cc1csc([N+](=O)[O-])c1 ZINC000334495877 383906374 /nfs/dbraw/zinc/90/63/74/383906374.db2.gz WJROKXNJIUVJSR-OCAPTIKFSA-N 0 0 226.301 2.639 20 5 BFBDRN CC[C@@H](COC)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000079708997 383974604 /nfs/dbraw/zinc/97/46/04/383974604.db2.gz FABWDMSMNVOHGM-VIFPVBQESA-N 0 0 242.250 2.571 20 5 BFBDRN Cc1cnc(Oc2ccc([N+](=O)[O-])c(C)c2)nc1 ZINC000611142724 384025839 /nfs/dbraw/zinc/02/58/39/384025839.db2.gz FDFNHRFDGFIEDL-UHFFFAOYSA-N 0 0 245.238 2.794 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCC2(C)C)n1 ZINC000310188948 384006023 /nfs/dbraw/zinc/00/60/23/384006023.db2.gz PPIRXKBFLQXIOJ-SNVBAGLBSA-N 0 0 235.287 2.899 20 5 BFBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@]12C[C@H]1CCC2 ZINC000334995606 384007294 /nfs/dbraw/zinc/00/72/94/384007294.db2.gz QMUNGVDYCXYYAL-NOZJJQNGSA-N 0 0 246.266 2.724 20 5 BFBDRN COC[C@@H](C)Sc1cccc([N+](=O)[O-])c1 ZINC000337906435 384043289 /nfs/dbraw/zinc/04/32/89/384043289.db2.gz CRVZZLFFPZRVGB-MRVPVSSYSA-N 0 0 227.285 2.722 20 5 BFBDRN CSC(C)(C)CNc1ncccc1[N+](=O)[O-] ZINC000128009289 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ZINC000336679615 384251345 /nfs/dbraw/zinc/25/13/45/384251345.db2.gz NWPVKKIXIDMKCS-SECBINFHSA-N 0 0 219.244 2.510 20 5 BFBDRN O=[N+]([O-])c1cccc2c(NCCF)ccnc21 ZINC000336697065 384254878 /nfs/dbraw/zinc/25/48/78/384254878.db2.gz JFSSAMMKAYRODK-UHFFFAOYSA-N 0 0 235.218 2.524 20 5 BFBDRN CC[C@H]1CCC[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000362562759 384260294 /nfs/dbraw/zinc/26/02/94/384260294.db2.gz VQEMEFHULFHXQU-UWVGGRQHSA-N 0 0 235.287 2.980 20 5 BFBDRN CC(=O)c1ccc(N(C)CC2CC2)c([N+](=O)[O-])c1 ZINC000037903862 384282868 /nfs/dbraw/zinc/28/28/68/384282868.db2.gz NDIRZAFMDRBIEM-UHFFFAOYSA-N 0 0 248.282 2.644 20 5 BFBDRN O=[N+]([O-])c1ccnn1C[C@H]1C[C@H]1c1ccccc1 ZINC000359167537 384377216 /nfs/dbraw/zinc/37/72/16/384377216.db2.gz AARXPOXTMUVEBI-NEPJUHHUSA-N 0 0 243.266 2.595 20 5 BFBDRN CCOc1cc(F)c([N+](=O)[O-])cc1Cl ZINC000285153103 384382894 /nfs/dbraw/zinc/38/28/94/384382894.db2.gz LWHSBWJSRADTSP-UHFFFAOYSA-N 0 0 219.599 2.786 20 5 BFBDRN CCOc1cc(C)c([N+](=O)[O-])cc1Cl ZINC000082595786 384464215 /nfs/dbraw/zinc/46/42/15/384464215.db2.gz MROYEPPSOOUWFP-UHFFFAOYSA-N 0 0 215.636 2.955 20 5 BFBDRN CSCCNc1ccc([N+](=O)[O-])c(C)c1 ZINC000070184899 384464779 /nfs/dbraw/zinc/46/47/79/384464779.db2.gz IMZZPIIKGGJSPT-UHFFFAOYSA-N 0 0 226.301 2.678 20 5 BFBDRN O=[N+]([O-])c1ccccc1N1CCC[C@H]1C1CC1 ZINC000363384021 384473005 /nfs/dbraw/zinc/47/30/05/384473005.db2.gz FCBCDBMVFFQFOV-NSHDSACASA-N 0 0 232.283 2.974 20 5 BFBDRN CO[C@H](C)CCNc1ccc([N+](=O)[O-])c(C)c1 ZINC000263768027 384496053 /nfs/dbraw/zinc/49/60/53/384496053.db2.gz GXVSFRDDTTWNQM-SNVBAGLBSA-N 0 0 238.287 2.740 20 5 BFBDRN O=[N+]([O-])c1ccc(NC2CC=CC2)c([N+](=O)[O-])c1 ZINC000125045008 384486542 /nfs/dbraw/zinc/48/65/42/384486542.db2.gz TUHAJYSNEWZQMB-UHFFFAOYSA-N 0 0 249.226 2.634 20 5 BFBDRN CC(=O)c1ccc(N(C)C(C)C)c([N+](=O)[O-])c1 ZINC000019871080 384546618 /nfs/dbraw/zinc/54/66/18/384546618.db2.gz FPTKBUFQDMJNQV-UHFFFAOYSA-N 0 0 236.271 2.642 20 5 BFBDRN CCN(CC(C)C)c1ncc(C)cc1[N+](=O)[O-] ZINC000361263672 384616123 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388670342 /nfs/dbraw/zinc/67/03/42/388670342.db2.gz BWMUZIQSZXUDOC-VIFPVBQESA-N 0 0 248.282 2.572 20 5 BFBDRN CC[C@H](COc1cc(C)ccc1[N+](=O)[O-])OC ZINC000416909773 388671995 /nfs/dbraw/zinc/67/19/95/388671995.db2.gz YNEPHDNNAMKBMD-SNVBAGLBSA-N 0 0 239.271 2.707 20 5 BFBDRN C[C@@H]1C[C@@H](C)N(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000524843183 388679958 /nfs/dbraw/zinc/67/99/58/388679958.db2.gz XBZLAFOPVVYJFC-RKDXNWHRSA-N 0 0 238.262 2.969 20 5 BFBDRN O=[N+]([O-])c1ccccc1COc1ccccn1 ZINC000066060080 388680557 /nfs/dbraw/zinc/68/05/57/388680557.db2.gz NMZUGWDLEAOOCZ-UHFFFAOYSA-N 0 0 230.223 2.569 20 5 BFBDRN CCCCN(CC)c1ncccc1[N+](=O)[O-] ZINC000078574741 388682945 /nfs/dbraw/zinc/68/29/45/388682945.db2.gz FZVWKJALYDWADF-UHFFFAOYSA-N 0 0 223.276 2.616 20 5 BFBDRN O=[N+]([O-])c1cccc(CNc2ncccc2F)c1 ZINC000054700939 388659356 /nfs/dbraw/zinc/65/93/56/388659356.db2.gz NGPUCPUJZCYWAT-UHFFFAOYSA-N 0 0 247.229 2.741 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N(C)CC(F)F)c1 ZINC000447045178 388734775 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/nfs/dbraw/zinc/38/37/82/170383782.db2.gz OZTJPBJRPUWRSR-UHFFFAOYSA-N 0 0 242.250 2.572 20 5 BFBDRN CCOCCCOc1c(F)cccc1[N+](=O)[O-] ZINC000361759538 170384271 /nfs/dbraw/zinc/38/42/71/170384271.db2.gz KPHZOCAMVROATI-UHFFFAOYSA-N 0 0 243.234 2.539 20 5 BFBDRN CC[C@@H](C)CN(C)c1ncc([N+](=O)[O-])s1 ZINC000192453047 170700106 /nfs/dbraw/zinc/70/01/06/170700106.db2.gz JDGDDOXPUSHYSW-SSDOTTSWSA-N 0 0 229.305 2.534 20 5 BFBDRN CC[C@@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000248230636 170721952 /nfs/dbraw/zinc/72/19/52/170721952.db2.gz KUMLXSJEBTZNGL-SSDOTTSWSA-N 0 0 242.300 2.527 20 5 BFBDRN CC[C@@H](CNc1cccc(F)c1[N+](=O)[O-])OC ZINC000290617398 170831113 /nfs/dbraw/zinc/83/11/13/170831113.db2.gz GCGPMKGSAWTREH-QMMMGPOBSA-N 0 0 242.250 2.571 20 5 BFBDRN CC[C@@H]1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000359099912 171016909 /nfs/dbraw/zinc/01/69/09/171016909.db2.gz PEHLGKALJMDEQT-LLVKDONJSA-N 0 0 249.314 2.843 20 5 BFBDRN CC[C@@H]1CCN1c1ccccc1[N+](=O)[O-] ZINC000292265456 171026785 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171687027 /nfs/dbraw/zinc/68/70/27/171687027.db2.gz WOJIKYACDLKECE-UWVGGRQHSA-N 0 0 235.287 2.615 20 5 BFBDRN CCc1cc(CNc2ccc([N+](=O)[O-])cc2)on1 ZINC000301377770 171759060 /nfs/dbraw/zinc/75/90/60/171759060.db2.gz WXQASWOBAYEUBQ-UHFFFAOYSA-N 0 0 247.254 2.757 20 5 BFBDRN CCc1cnc(CNc2ccc([N+](=O)[O-])cc2)o1 ZINC000228871467 171915706 /nfs/dbraw/zinc/91/57/06/171915706.db2.gz QXZKKBNCTYXABM-UHFFFAOYSA-N 0 0 247.254 2.757 20 5 BFBDRN CCn1c(C)nc([N+](=O)[O-])c1NCC(C)(C)C ZINC000288212619 172137257 /nfs/dbraw/zinc/13/72/57/172137257.db2.gz URLQYPMKIWLTSX-UHFFFAOYSA-N 0 0 240.307 2.578 20 5 BFBDRN CN(C(=O)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000158485368 172299363 /nfs/dbraw/zinc/29/93/63/172299363.db2.gz DPYBEBZPFLZONC-UHFFFAOYSA-N 0 0 248.282 2.748 20 5 BFBDRN CN(Cc1ccncc1)c1ccccc1[N+](=O)[O-] ZINC000248116951 172900283 /nfs/dbraw/zinc/90/02/83/172900283.db2.gz LSEQYQLCBBCGFH-UHFFFAOYSA-N 0 0 243.266 2.626 20 5 BFBDRN COCCCCNc1cc([N+](=O)[O-])ccc1F ZINC000179278045 174204317 /nfs/dbraw/zinc/20/43/17/174204317.db2.gz FZHDDSZDUUYOGX-UHFFFAOYSA-N 0 0 242.250 2.572 20 5 BFBDRN COCCSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000302741428 174376790 /nfs/dbraw/zinc/37/67/90/174376790.db2.gz CYWVZLJDSCRCCS-UHFFFAOYSA-N 0 0 247.703 2.987 20 5 BFBDRN COCC[C@@H](C)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000045038778 174386013 /nfs/dbraw/zinc/38/60/13/174386013.db2.gz GHAIJMABBKZTIR-SNVBAGLBSA-N 0 0 238.287 2.740 20 5 BFBDRN CO[C@@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000050374890 174753533 /nfs/dbraw/zinc/75/35/33/174753533.db2.gz TVQGVUJDNXIQTI-VXGBXAGGSA-N 0 0 236.271 2.574 20 5 BFBDRN CO[C@H](C)[C@@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000161173745 174845426 /nfs/dbraw/zinc/84/54/26/174845426.db2.gz DMDOETUDLLMFEH-HTQZYQBOSA-N 0 0 242.250 2.569 20 5 BFBDRN COc1cc(NC2CC=CC2)ccc1[N+](=O)[O-] ZINC000125034735 175001240 /nfs/dbraw/zinc/00/12/40/175001240.db2.gz QHWFGRCOXPLXKP-UHFFFAOYSA-N 0 0 234.255 2.734 20 5 BFBDRN COc1cc(NCC(C)C)c([N+](=O)[O-])cc1F ZINC000301616867 175001336 /nfs/dbraw/zinc/00/13/36/175001336.db2.gz KBQAWBDLTWHUAF-UHFFFAOYSA-N 0 0 242.250 2.810 20 5 BFBDRN COc1ccc([N+](=O)[O-])cc1OCC=C(C)C ZINC000340601849 175201286 /nfs/dbraw/zinc/20/12/86/175201286.db2.gz XOQDVCTWHSOBLX-UHFFFAOYSA-N 0 0 237.255 2.948 20 5 BFBDRN COc1cccc(N2C[C@H]3CC[C@@H]2C3)c1[N+](=O)[O-] ZINC000185228594 175275868 /nfs/dbraw/zinc/27/58/68/175275868.db2.gz YNQKVZXEGOKQQN-VHSXEESVSA-N 0 0 248.282 2.592 20 5 BFBDRN CSC1(CNc2ccccc2[N+](=O)[O-])CC1 ZINC000227990632 175455083 /nfs/dbraw/zinc/45/50/83/175455083.db2.gz FGNBUOZOHAJWEF-UHFFFAOYSA-N 0 0 238.312 2.902 20 5 BFBDRN C[C@@H]1CCCCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000286861724 176065053 /nfs/dbraw/zinc/06/50/53/176065053.db2.gz MZSWGRATBVUHMU-SNVBAGLBSA-N 0 0 249.314 2.803 20 5 BFBDRN C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000129644263 176214530 /nfs/dbraw/zinc/21/45/30/176214530.db2.gz YECQUOAIYQDFLA-RKDXNWHRSA-N 0 0 221.260 2.590 20 5 BFBDRN C[C@@H]1CC[C@H](OC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000272377641 176235264 /nfs/dbraw/zinc/23/52/64/176235264.db2.gz VQDSSNUXMCQULW-SFYZADRCSA-N 0 0 239.227 2.533 20 5 BFBDRN C[C@@H]1CC[C@H]1Nc1ncc([N+](=O)[O-])cc1Cl ZINC000309431475 176237755 /nfs/dbraw/zinc/23/77/55/176237755.db2.gz LZKTVSFXPCHQLO-HZGVNTEJSA-N 0 0 241.678 2.854 20 5 BFBDRN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000301418485 176318939 /nfs/dbraw/zinc/31/89/39/176318939.db2.gz CYFCFIDZSJYKDR-RKDXNWHRSA-N 0 0 238.262 2.826 20 5 BFBDRN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000301439503 176319406 /nfs/dbraw/zinc/31/94/06/176319406.db2.gz LSVFGCOXPUFJPF-NXEZZACHSA-N 0 0 220.272 2.687 20 5 BFBDRN C[C@@H]1C[C@@H]1CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000355029895 176390688 /nfs/dbraw/zinc/39/06/88/176390688.db2.gz BYPXXBYRZQQNAK-RKDXNWHRSA-N 0 0 234.255 2.579 20 5 BFBDRN C[C@H](Nc1cnn(C)c1)c1ccccc1[N+](=O)[O-] ZINC000035737448 176938886 /nfs/dbraw/zinc/93/88/86/176938886.db2.gz YCJAJPOFLVROAR-VIFPVBQESA-N 0 0 246.270 2.501 20 5 BFBDRN C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000227648413 176939307 /nfs/dbraw/zinc/93/93/07/176939307.db2.gz LYPAWHFMCCWTQG-LURJTMIESA-N 0 0 241.678 2.854 20 5 BFBDRN C[C@H](SCCCO)c1cccc([N+](=O)[O-])c1 ZINC000298264393 177026920 /nfs/dbraw/zinc/02/69/20/177026920.db2.gz OTHCDFYSRYRRKM-VIFPVBQESA-N 0 0 241.312 2.771 20 5 BFBDRN C[C@H](CO)S[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000079096866 177028747 /nfs/dbraw/zinc/02/87/47/177028747.db2.gz KDCMCKNDKAFPOM-BDAKNGLRSA-N 0 0 241.312 2.770 20 5 BFBDRN C[C@H]1CCC[C@@H](Cn2cnc([N+](=O)[O-])c2)C1 ZINC000185505801 177120595 /nfs/dbraw/zinc/12/05/95/177120595.db2.gz DRYRWTGKOUSAGN-VHSXEESVSA-N 0 0 223.276 2.618 20 5 BFBDRN C[C@H]1CCC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000333973271 177142423 /nfs/dbraw/zinc/14/24/23/177142423.db2.gz BTCCOPCUIYWIGQ-JOYOIKCWSA-N 0 0 248.282 2.513 20 5 BFBDRN C[C@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000070832877 177142677 /nfs/dbraw/zinc/14/26/77/177142677.db2.gz RNSXTDZMCNKEOH-WCBMZHEXSA-N 0 0 221.260 2.590 20 5 BFBDRN C[C@H]1CCC[C@H]1Nc1ccc(N)cc1[N+](=O)[O-] ZINC000287985623 177142712 /nfs/dbraw/zinc/14/27/12/177142712.db2.gz RLVOUTOIFGIZTQ-WCBMZHEXSA-N 0 0 235.287 2.778 20 5 BFBDRN C[C@H]1CCN(c2ncc([N+](=O)[O-])s2)[C@@H](C)C1 ZINC000281885951 177171883 /nfs/dbraw/zinc/17/18/83/177171883.db2.gz LRGBFQFVZDNKCS-YUMQZZPRSA-N 0 0 241.316 2.676 20 5 BFBDRN C[C@H]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2)O1 ZINC000128037045 177190402 /nfs/dbraw/zinc/19/04/02/177190402.db2.gz LNLQYKZGZDVGOF-CABZTGNLSA-N 0 0 236.271 2.574 20 5 BFBDRN C[C@H]1CC[C@@H]1Nc1ncc([N+](=O)[O-])cc1Cl ZINC000309431944 177195527 /nfs/dbraw/zinc/19/55/27/177195527.db2.gz LZKTVSFXPCHQLO-RCOVLWMOSA-N 0 0 241.678 2.854 20 5 BFBDRN CCc1cnc(CNc2ccccc2[N+](=O)[O-])o1 ZINC000228871197 487643180 /nfs/dbraw/zinc/64/31/80/487643180.db2.gz WNYHNMPYLCYNQA-UHFFFAOYSA-N 0 0 247.254 2.757 20 5 BFBDRN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000486479990 225265347 /nfs/dbraw/zinc/26/53/47/225265347.db2.gz QKBCVLJMHVEVDW-JGPRNRPPSA-N 0 0 233.271 2.509 20 5 BFBDRN C[C@@H](F)CCOc1ccc([N+](=O)[O-])cc1 ZINC000505443613 226355159 /nfs/dbraw/zinc/35/51/59/226355159.db2.gz KQUVDUGLGKXTQB-MRVPVSSYSA-N 0 0 213.208 2.722 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(OCCCCF)n1 ZINC000505547182 226356501 /nfs/dbraw/zinc/35/65/01/226356501.db2.gz OABAGZKWFXBWDD-UHFFFAOYSA-N 0 0 242.250 2.735 20 5 BFBDRN C[C@@H](F)CCOc1ccc(F)cc1[N+](=O)[O-] ZINC000505554189 226356650 /nfs/dbraw/zinc/35/66/50/226356650.db2.gz VUJSTVDTUVBQPF-SSDOTTSWSA-N 0 0 231.198 2.861 20 5 BFBDRN O=[N+]([O-])c1cccc(F)c1N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000397820436 262935676 /nfs/dbraw/zinc/93/56/76/262935676.db2.gz NBANRYBBSJFUTB-AYMMMOKOSA-N 0 0 236.246 2.944 20 5 BFBDRN CC[C@]1(C)C[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000159861579 323050835 /nfs/dbraw/zinc/05/08/35/323050835.db2.gz QWHPLCGFYYOGSY-DGCLKSJQSA-N 0 0 248.282 2.970 20 5 BFBDRN Cc1nocc1COc1cc([N+](=O)[O-])ccc1C ZINC000563439035 323125684 /nfs/dbraw/zinc/12/56/84/323125684.db2.gz JVOJJYHJFORFQD-UHFFFAOYSA-N 0 0 248.238 2.779 20 5 BFBDRN C/C=C/C=C/C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000073842031 324115676 /nfs/dbraw/zinc/11/56/76/324115676.db2.gz IYZKBNUSLOZCJW-VNKDHWASSA-N 0 0 246.266 2.690 20 5 BFBDRN Cc1cc(N2[C@@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000530378938 324589584 /nfs/dbraw/zinc/58/95/84/324589584.db2.gz IFYRLIZKFWJGGM-UWVGGRQHSA-N 0 0 220.272 2.890 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[C@H]2C)c1 ZINC000130230312 325027065 /nfs/dbraw/zinc/02/70/65/325027065.db2.gz RPAUOXMXPYWTST-NXEZZACHSA-N 0 0 220.272 2.971 20 5 BFBDRN CCCC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000130270493 325032716 /nfs/dbraw/zinc/03/27/16/325032716.db2.gz KSQIFIVUNUZLMU-UHFFFAOYSA-N 0 0 236.271 2.950 20 5 BFBDRN CC(C)c1noc(-c2ccc([N+](=O)[O-])s2)n1 ZINC000545553361 325228068 /nfs/dbraw/zinc/22/80/68/325228068.db2.gz KMOAOGHENVZDRB-UHFFFAOYSA-N 0 0 239.256 2.830 20 5 BFBDRN CCOCCCOc1cc(F)cc([N+](=O)[O-])c1 ZINC000135340939 325408953 /nfs/dbraw/zinc/40/89/53/325408953.db2.gz XBINZQSOTPLGMF-UHFFFAOYSA-N 0 0 243.234 2.539 20 5 BFBDRN CC1(C)CC(CNc2ncccc2[N+](=O)[O-])C1 ZINC000548037706 325422757 /nfs/dbraw/zinc/42/27/57/325422757.db2.gz SVHDTMJXQXBCCV-UHFFFAOYSA-N 0 0 235.287 2.838 20 5 BFBDRN CC(C)[C@@H](C)CNc1ccc([N+](=O)[O-])nc1 ZINC000081070246 325490424 /nfs/dbraw/zinc/49/04/24/325490424.db2.gz RQQJHYQRVRTEPE-VIFPVBQESA-N 0 0 223.276 2.694 20 5 BFBDRN O=[N+]([O-])c1ccc(-c2nc3c(cccc3F)[nH]2)o1 ZINC000154752066 326162922 /nfs/dbraw/zinc/16/29/22/326162922.db2.gz MGUNLBPHXQCUCG-UHFFFAOYSA-N 0 0 247.185 2.870 20 5 BFBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1(C)CC1 ZINC000159209314 326354138 /nfs/dbraw/zinc/35/41/38/326354138.db2.gz MCJLTTHDRKAIAI-UHFFFAOYSA-N 0 0 234.255 2.642 20 5 BFBDRN C[C@@H](NCC(F)F)c1ccccc1[N+](=O)[O-] ZINC000147299880 487998655 /nfs/dbraw/zinc/99/86/55/487998655.db2.gz SIFUOYQEQNAZKQ-SSDOTTSWSA-N 0 0 230.214 2.511 20 5 BFBDRN CO[C@H](C)CCNc1ccc([N+](=O)[O-])cc1F ZINC000263725424 490562421 /nfs/dbraw/zinc/56/24/21/490562421.db2.gz BYGMVDINISFVQZ-MRVPVSSYSA-N 0 0 242.250 2.571 20 5 BFBDRN CC[C@H]1CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000291795055 491091992 /nfs/dbraw/zinc/09/19/92/491091992.db2.gz PEAPLKNRHMMKSW-JTQLQIEISA-N 0 0 249.270 2.611 20 5 BFBDRN CC[C@H]1CCCN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000348359838 536072182 /nfs/dbraw/zinc/07/21/82/536072182.db2.gz CGZUNVSMWMJSPQ-JTQLQIEISA-N 0 0 235.287 2.677 20 5 BFBDRN Cc1nc(N[C@@H]2[C@@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000486475361 534496594 /nfs/dbraw/zinc/49/65/94/534496594.db2.gz YDBWYYZHOYEMDZ-BZBKMWRSSA-N 0 0 233.271 2.509 20 5 BFBDRN CC(C)CN(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505788590 527914402 /nfs/dbraw/zinc/91/44/02/527914402.db2.gz BQDQPEIMKRBOCK-UHFFFAOYSA-N 0 0 240.278 2.822 20 5 BFBDRN C[C@@H]1[C@@H](C)CN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000853649763 588752236 /nfs/dbraw/zinc/75/22/36/588752236.db2.gz CODIGKICSBJHPT-NKWVEPMBSA-N 0 0 242.225 2.718 20 5 BFBDRN C[C@@H]1CN(c2c(F)cc([N+](=O)[O-])cc2F)[C@H]1C ZINC000853649765 588752323 /nfs/dbraw/zinc/75/23/23/588752323.db2.gz CODIGKICSBJHPT-RQJHMYQMSA-N 0 0 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BFBDRN O=[N+]([O-])C[C@@H](Oc1ccc(Cl)cc1)C1CC1 ZINC001225250734 974309292 /nfs/dbraw/zinc/30/92/92/974309292.db2.gz DHQRFBJCNFJLCW-LLVKDONJSA-N 0 0 241.674 2.774 20 5 BFBDRN O=[N+]([O-])C[C@H](Oc1ccc2[nH]ccc2c1)C1CC1 ZINC001225271083 974334412 /nfs/dbraw/zinc/33/44/12/974334412.db2.gz XVKRHOPJUHYVIM-ZDUSSCGKSA-N 0 0 246.266 2.602 20 5 BFBDRN CCO[C@H](C)COc1ccc(F)c([N+](=O)[O-])c1 ZINC001225385496 974458652 /nfs/dbraw/zinc/45/86/52/974458652.db2.gz SOLPWNPNSRPLPR-MRVPVSSYSA-N 0 0 243.234 2.538 20 5 BFBDRN CC[C@@H](COC)Oc1ccc(F)c([N+](=O)[O-])c1 ZINC001225382067 974458832 /nfs/dbraw/zinc/45/88/32/974458832.db2.gz KJYPBEDXFIMWFG-QMMMGPOBSA-N 0 0 243.234 2.538 20 5 BFBDRN COc1cc(O[C@@H]2C[C@H]3C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001225435866 974487712 /nfs/dbraw/zinc/48/77/12/974487712.db2.gz MSEBJNJZMOOOSP-DOFRTFSJSA-N 0 0 249.266 2.781 20 5 BFBDRN Cc1cc(Cn2cc(C)c([N+](=O)[O-])n2)cs1 ZINC001330832180 974493719 /nfs/dbraw/zinc/49/37/19/974493719.db2.gz WGYDSZJVHHHYGY-UHFFFAOYSA-N 0 0 237.284 2.518 20 5 BFBDRN C[C@@H]1CCCC[C@@H]1Oc1ncccc1[N+](=O)[O-] ZINC001225593313 974580792 /nfs/dbraw/zinc/58/07/92/974580792.db2.gz NMYYSDIALSRGSH-KOLCDFICSA-N 0 0 236.271 2.947 20 5 BFBDRN CCCC[C@H](C)Oc1ncccc1[N+](=O)[O-] ZINC001225592067 974580920 /nfs/dbraw/zinc/58/09/20/974580920.db2.gz CQZRPLUPHXLOQW-VIFPVBQESA-N 0 0 224.260 2.947 20 5 BFBDRN C[C@H]1CCC[C@@H](Oc2ncccc2[N+](=O)[O-])C1 ZINC001225592874 974581185 /nfs/dbraw/zinc/58/11/85/974581185.db2.gz JHJSLJZABODNFT-VHSXEESVSA-N 0 0 236.271 2.947 20 5 BFBDRN C[C@@H](Oc1ncccc1[N+](=O)[O-])c1cccnc1 ZINC001225591355 974581315 /nfs/dbraw/zinc/58/13/15/974581315.db2.gz XIKGVXLXIPVPRQ-SECBINFHSA-N 0 0 245.238 2.525 20 5 BFBDRN C[C@H]1CC[C@@H](Oc2ncccc2[N+](=O)[O-])C1 ZINC001225592331 974581419 /nfs/dbraw/zinc/58/14/19/974581419.db2.gz FKJKXIYUFUHBPX-DTWKUNHWSA-N 0 0 222.244 2.557 20 5 BFBDRN CC[C@@H](Oc1ncccc1[N+](=O)[O-])C(C)C ZINC001225598922 974582391 /nfs/dbraw/zinc/58/23/91/974582391.db2.gz YMVVCCSDMGOPFS-SNVBAGLBSA-N 0 0 224.260 2.803 20 5 BFBDRN CCCC[C@H](C)Oc1ccc([N+](=O)[O-])cn1 ZINC001225632371 974607680 /nfs/dbraw/zinc/60/76/80/974607680.db2.gz KIUFHVWUZQEYFQ-VIFPVBQESA-N 0 0 224.260 2.947 20 5 BFBDRN CC(C)C[C@@H](C)Oc1ccc([N+](=O)[O-])cn1 ZINC001225633052 974608828 /nfs/dbraw/zinc/60/88/28/974608828.db2.gz PJAYHULTKWONPC-SECBINFHSA-N 0 0 224.260 2.803 20 5 BFBDRN O=[N+]([O-])c1ccc(OC(C2CC2)C2CC2)nc1 ZINC001225632912 974609062 /nfs/dbraw/zinc/60/90/62/974609062.db2.gz NXORDSJUAIBTHA-UHFFFAOYSA-N 0 0 234.255 2.557 20 5 BFBDRN Cc1cccc(O[C@@H]2CCCCC2=O)c1[N+](=O)[O-] ZINC001225635491 974610522 /nfs/dbraw/zinc/61/05/22/974610522.db2.gz IIUQIQZOXNESLB-LLVKDONJSA-N 0 0 249.266 2.794 20 5 BFBDRN O=[N+]([O-])C[C@H](Oc1ccc2cc[nH]c2c1)C1CC1 ZINC001225654565 974625500 /nfs/dbraw/zinc/62/55/00/974625500.db2.gz XCIWUWKUNHIMPH-ZDUSSCGKSA-N 0 0 246.266 2.602 20 5 BFBDRN Cc1cc(O[C@@H](C)C2CCC2)ncc1[N+](=O)[O-] ZINC001225661267 974631503 /nfs/dbraw/zinc/63/15/03/974631503.db2.gz JMBOQIATYXJQGB-VIFPVBQESA-N 0 0 236.271 2.866 20 5 BFBDRN Cc1cc(O[C@H](C)C2CCC2)ncc1[N+](=O)[O-] ZINC001225661265 974632167 /nfs/dbraw/zinc/63/21/67/974632167.db2.gz JMBOQIATYXJQGB-SECBINFHSA-N 0 0 236.271 2.866 20 5 BFBDRN O=[N+]([O-])c1c(F)cccc1OC1CC(F)(F)C1 ZINC001225665719 974635577 /nfs/dbraw/zinc/63/55/77/974635577.db2.gz DDBDHZQUFYUKRB-UHFFFAOYSA-N 0 0 247.172 2.910 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(OC2CCC(=O)CC2)c1 ZINC001225678744 974638063 /nfs/dbraw/zinc/63/80/63/974638063.db2.gz IKPBJXAEHGKHIT-UHFFFAOYSA-N 0 0 249.266 2.794 20 5 BFBDRN O=[N+]([O-])c1cccc(OC2CC(F)(F)C2)c1F ZINC001225794187 974685429 /nfs/dbraw/zinc/68/54/29/974685429.db2.gz KLGOPNMIMLKBNF-UHFFFAOYSA-N 0 0 247.172 2.910 20 5 BFBDRN CC[C@H](C)Oc1ccc(F)cc1[N+](=O)[O-] ZINC001225904377 974723016 /nfs/dbraw/zinc/72/30/16/974723016.db2.gz CFAUYMQQLPVUEC-ZETCQYMHSA-N 0 0 213.208 2.911 20 5 BFBDRN O=[N+]([O-])c1ccc(O[C@@H]2C[C@H]3C[C@H]3C2)cc1F ZINC001225911790 974724707 /nfs/dbraw/zinc/72/47/07/974724707.db2.gz BPMFLQKHCWWBIG-DIYOJNKTSA-N 0 0 237.230 2.911 20 5 BFBDRN O=[N+]([O-])c1ccc(O[C@H]2C=CCC2)c(F)c1 ZINC001225942356 974737264 /nfs/dbraw/zinc/73/72/64/974737264.db2.gz QVRYHRSRIZSZDP-VIFPVBQESA-N 0 0 223.203 2.831 20 5 BFBDRN CC[C@H](COC)Oc1ccc([N+](=O)[O-])cc1F ZINC001225943075 974739050 /nfs/dbraw/zinc/73/90/50/974739050.db2.gz XGRYYPNJNPYTKQ-SECBINFHSA-N 0 0 243.234 2.538 20 5 BFBDRN CCOC[C@@H](C)Oc1c(F)cccc1[N+](=O)[O-] ZINC001226006364 974759710 /nfs/dbraw/zinc/75/97/10/974759710.db2.gz CIYAQJHILIVRHT-MRVPVSSYSA-N 0 0 243.234 2.538 20 5 BFBDRN C[C@@H](Oc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC001226007071 974760838 /nfs/dbraw/zinc/76/08/38/974760838.db2.gz JIPVWVUXGLASDZ-SSDOTTSWSA-N 0 0 225.219 2.911 20 5 BFBDRN O=[N+]([O-])c1ccccc1Nc1ccc(CO)cc1 ZINC001206164976 974862353 /nfs/dbraw/zinc/86/23/53/974862353.db2.gz WGBTXINCAOEELF-UHFFFAOYSA-N 0 0 244.250 2.831 20 5 BFBDRN O=[N+]([O-])c1cccc(O)c1O[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC001226341811 974865708 /nfs/dbraw/zinc/86/57/08/974865708.db2.gz UTMNIPMEUZSBLW-VDDIYKPWSA-N 0 0 249.266 2.868 20 5 BFBDRN [CH2]CC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172902620 974962480 /nfs/dbraw/zinc/96/24/80/974962480.db2.gz LAYNVGKAFBEOFX-ZDUSSCGKSA-N 0 0 247.318 2.656 20 5 BFBDRN CCCC[C@H](CC)Oc1ncc([N+](=O)[O-])cn1 ZINC001226731601 975051710 /nfs/dbraw/zinc/05/17/10/975051710.db2.gz PNTLCRJCQGQFSL-JTQLQIEISA-N 0 0 239.275 2.732 20 5 BFBDRN CCC[C@@H](Oc1ncc([N+](=O)[O-])cn1)C(C)C ZINC001226733201 975052140 /nfs/dbraw/zinc/05/21/40/975052140.db2.gz JTQVWLRRCVZVMB-SNVBAGLBSA-N 0 0 239.275 2.588 20 5 BFBDRN CC(C)[C@@H](C)Oc1ncc(F)cc1[N+](=O)[O-] ZINC001226751760 975056132 /nfs/dbraw/zinc/05/61/32/975056132.db2.gz QYASHRQIUZZOJX-SSDOTTSWSA-N 0 0 228.223 2.552 20 5 BFBDRN C[C@@H](Oc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001226763747 975064072 /nfs/dbraw/zinc/06/40/72/975064072.db2.gz BHEBYWLNMPHYQC-MRVPVSSYSA-N 0 0 207.229 2.772 20 5 BFBDRN C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1=CC=C[CH]1 ZINC001173216074 975070634 /nfs/dbraw/zinc/07/06/34/975070634.db2.gz BVBAVSUTSQIPFO-LLVKDONJSA-N 0 0 243.286 2.773 20 5 BFBDRN C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1[CH]CC=C1 ZINC001173230860 975076728 /nfs/dbraw/zinc/07/67/28/975076728.db2.gz VOMFAUCDASKHLV-DGCLKSJQSA-N 0 0 245.302 2.648 20 5 BFBDRN CCOC[C@H](C)Oc1ccc(C)c([N+](=O)[O-])c1 ZINC001226950872 975180308 /nfs/dbraw/zinc/18/03/08/975180308.db2.gz PQZQIHZFHQQFQC-JTQLQIEISA-N 0 0 239.271 2.707 20 5 BFBDRN Cc1ccc(OC2CCC(=O)CC2)cc1[N+](=O)[O-] ZINC001226950929 975180489 /nfs/dbraw/zinc/18/04/89/975180489.db2.gz QUFBYQDVWIBZNY-UHFFFAOYSA-N 0 0 249.266 2.794 20 5 BFBDRN CCO[C@H](C)COc1ccc(C)c([N+](=O)[O-])c1 ZINC001226952912 975185404 /nfs/dbraw/zinc/18/54/04/975185404.db2.gz MYWDKPRPQCZEAH-SNVBAGLBSA-N 0 0 239.271 2.707 20 5 BFBDRN CO[C@@H](C)CCOc1c(C)cccc1[N+](=O)[O-] ZINC001226969345 975194682 /nfs/dbraw/zinc/19/46/82/975194682.db2.gz NISKVAFCYAIUPD-JTQLQIEISA-N 0 0 239.271 2.707 20 5 BFBDRN CC[C@@H](COC)Oc1cc([N+](=O)[O-])ccc1C ZINC001226995140 975211822 /nfs/dbraw/zinc/21/18/22/975211822.db2.gz MBACPXXNAQYNFT-NSHDSACASA-N 0 0 239.271 2.707 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(O[C@H](C)C2CCC2)n1 ZINC001227062143 975249393 /nfs/dbraw/zinc/24/93/93/975249393.db2.gz GRVPJPMKUCFZJQ-SECBINFHSA-N 0 0 236.271 2.866 20 5 BFBDRN COc1cc([N+](=O)[O-])ccc1O[C@H](C)C1CC1 ZINC001227185024 975306161 /nfs/dbraw/zinc/30/61/61/975306161.db2.gz NHDMQUFDBNXOCB-MRVPVSSYSA-N 0 0 237.255 2.781 20 5 BFBDRN Cc1ccc(O[C@H]2CCC[C@@H]2C)c([N+](=O)[O-])n1 ZINC001227219701 975315551 /nfs/dbraw/zinc/31/55/51/975315551.db2.gz NSLSTVVMEROQMV-WPRPVWTQSA-N 0 0 236.271 2.866 20 5 BFBDRN Cc1cnc(O[C@@H]2C[C@@H]3CC[C@H]2C3)c([N+](=O)[O-])c1 ZINC001227236400 975320987 /nfs/dbraw/zinc/32/09/87/975320987.db2.gz FRYIJEFYYZLZHR-JFGNBEQYSA-N 0 0 248.282 2.866 20 5 BFBDRN O=[N+]([O-])c1cccc2oc(OC3CCC3)nc21 ZINC001227237492 975321948 /nfs/dbraw/zinc/32/19/48/975321948.db2.gz GTTAGLRTVPTXSS-UHFFFAOYSA-N 0 0 234.211 2.667 20 5 BFBDRN C[C@H](Oc1ccc([N+](=O)[O-])cc1)c1ncccn1 ZINC001227519709 975503477 /nfs/dbraw/zinc/50/34/77/975503477.db2.gz CNPDMTXCLFDZNR-VIFPVBQESA-N 0 0 245.238 2.525 20 5 BFBDRN C[C@@H](Oc1ccc([N+](=O)[O-])cc1)c1ncccn1 ZINC001227519707 975503942 /nfs/dbraw/zinc/50/39/42/975503942.db2.gz CNPDMTXCLFDZNR-SECBINFHSA-N 0 0 245.238 2.525 20 5 BFBDRN CC[C@@H](C)Oc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001227745880 975665935 /nfs/dbraw/zinc/66/59/35/975665935.db2.gz OZBYWYHHXNAIEN-SSDOTTSWSA-N 0 0 235.243 2.648 20 5 BFBDRN C[C@@H](Oc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC001227742343 975671597 /nfs/dbraw/zinc/67/15/97/975671597.db2.gz XOYBTUIBZKCKOB-SSDOTTSWSA-N 0 0 247.254 2.648 20 5 BFBDRN C[C@@H](Oc1cncc([N+](=O)[O-])c1)c1ccco1 ZINC001227989022 975833543 /nfs/dbraw/zinc/83/35/43/975833543.db2.gz AYTSHNLXIBRSMF-MRVPVSSYSA-N 0 0 234.211 2.723 20 5 BFBDRN CCC(CC)Oc1cncc([N+](=O)[O-])c1 ZINC001227987810 975835241 /nfs/dbraw/zinc/83/52/41/975835241.db2.gz JZGBZDHJFJZGES-UHFFFAOYSA-N 0 0 210.233 2.557 20 5 BFBDRN C[C@@H](Oc1nccc(Cl)c1[N+](=O)[O-])C1CC1 ZINC001228014383 975853830 /nfs/dbraw/zinc/85/38/30/975853830.db2.gz JZQFUZUADSZGQQ-ZCFIWIBFSA-N 0 0 242.662 2.821 20 5 BFBDRN CCc1cccc(O[C@H](C[N+](=O)[O-])C2CC2)c1 ZINC001228240570 976012591 /nfs/dbraw/zinc/01/25/91/976012591.db2.gz PWRJJNBTOFYJHW-CYBMUJFWSA-N 0 0 235.283 2.683 20 5 BFBDRN Cc1cc([N+](=O)[O-])cc(C)c1OC1CC1 ZINC001228571212 976331357 /nfs/dbraw/zinc/33/13/57/976331357.db2.gz LYODCCDKEXPCFZ-UHFFFAOYSA-N 0 0 207.229 2.753 20 5 BFBDRN CCCCC[C@@H](C)Oc1ncncc1[N+](=O)[O-] ZINC001228655521 976409135 /nfs/dbraw/zinc/40/91/35/976409135.db2.gz AFJQYDUYYXILNX-SECBINFHSA-N 0 0 239.275 2.732 20 5 BFBDRN CCCCC[C@H](C)Oc1ncncc1[N+](=O)[O-] ZINC001228655522 976410006 /nfs/dbraw/zinc/41/00/06/976410006.db2.gz AFJQYDUYYXILNX-VIFPVBQESA-N 0 0 239.275 2.732 20 5 BFBDRN CCCC(CCC)Oc1ncncc1[N+](=O)[O-] ZINC001228653801 976410167 /nfs/dbraw/zinc/41/01/67/976410167.db2.gz CGUHSXATSXGCPY-UHFFFAOYSA-N 0 0 239.275 2.732 20 5 BFBDRN Cc1cnc(NCCCC(F)F)c([N+](=O)[O-])c1 ZINC001334303533 976432416 /nfs/dbraw/zinc/43/24/16/976432416.db2.gz GSSANGWLUQNETJ-UHFFFAOYSA-N 0 0 245.229 2.755 20 5 BFBDRN CC[C@H](C)Oc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 ZINC001228676177 976433740 /nfs/dbraw/zinc/43/37/40/976433740.db2.gz WPUUFXLMMOKCRL-QMMMGPOBSA-N 0 0 249.270 2.957 20 5 BFBDRN Cc1cc(OCCOC(C)C)cc([N+](=O)[O-])c1 ZINC001228832921 976507477 /nfs/dbraw/zinc/50/74/77/976507477.db2.gz GCMCZYFUHGGQLA-UHFFFAOYSA-N 0 0 239.271 2.707 20 5 BFBDRN O=[N+]([O-])c1ccncc1O[C@H]1CCCC[C@@H]1F ZINC001228882877 976548341 /nfs/dbraw/zinc/54/83/41/976548341.db2.gz REXQIPGAGFFIGJ-WPRPVWTQSA-N 0 0 240.234 2.649 20 5 BFBDRN C[C@@H]1CC[C@H](Oc2cnccc2[N+](=O)[O-])C1 ZINC001228880862 976549757 /nfs/dbraw/zinc/54/97/57/976549757.db2.gz YSHNDJXKKYIXGG-BDAKNGLRSA-N 0 0 222.244 2.557 20 5 BFBDRN O=[N+]([O-])c1ccc(O[C@@H]2C=CCC2)nc1Cl ZINC001228938209 976588724 /nfs/dbraw/zinc/58/87/24/976588724.db2.gz NECLGUNEUXRXOG-SSDOTTSWSA-N 0 0 240.646 2.741 20 5 BFBDRN CC(=O)c1cccc(OC2CC=CC2)c1[N+](=O)[O-] ZINC001229133128 976767240 /nfs/dbraw/zinc/76/72/40/976767240.db2.gz ZYQIIXHLIOWRMJ-UHFFFAOYSA-N 0 0 247.250 2.895 20 5 BFBDRN CC(=O)c1cccc(O[C@H]2C=CCC2)c1[N+](=O)[O-] ZINC001229139178 976768915 /nfs/dbraw/zinc/76/89/15/976768915.db2.gz VIALCYMFEQJJCW-JTQLQIEISA-N 0 0 247.250 2.895 20 5 BFBDRN Cc1conc1Nc1ccc([N+](=O)[O-])cc1 ZINC001174475341 976793485 /nfs/dbraw/zinc/79/34/85/976793485.db2.gz IGHGNADVNDOUGE-UHFFFAOYSA-N 0 0 219.200 2.635 20 5 BFBDRN Cc1c[nH]c(=O)c(Nc2ccc([N+](=O)[O-])cc2)c1 ZINC001174477339 976797857 /nfs/dbraw/zinc/79/78/57/976797857.db2.gz NJCDHXIJXMFWAW-UHFFFAOYSA-N 0 0 245.238 2.747 20 5 BFBDRN C[C@@H]1CC[C@@H](Oc2cc([N+](=O)[O-])ccc2O)C1 ZINC001229396368 976857785 /nfs/dbraw/zinc/85/77/85/976857785.db2.gz SJTUQWCYNYXCNV-PSASIEDQSA-N 0 0 237.255 2.868 20 5 BFBDRN C[C@H]1CCC[C@H]1Oc1cc([N+](=O)[O-])ccc1O ZINC001229397251 976859317 /nfs/dbraw/zinc/85/93/17/976859317.db2.gz FHDHENAFIJBRPI-GZMMTYOYSA-N 0 0 237.255 2.868 20 5 BFBDRN Cc1cc(O)c(OC2CCCC2)cc1[N+](=O)[O-] ZINC001229749819 976980744 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249.266 2.832 20 5 BFBDRN CCC[C@](C)(O)CNc1ccc([N+](=O)[O-])s1 ZINC000309691293 342788864 /nfs/dbraw/zinc/78/88/64/342788864.db2.gz JIFCOUDXAISWBM-JTQLQIEISA-N 0 0 244.316 2.619 20 5 BFBDRN CCC[C@@](C)(O)CNc1ccsc1[N+](=O)[O-] ZINC000309713381 342798834 /nfs/dbraw/zinc/79/88/34/342798834.db2.gz RSABZHFTRPRMLI-SNVBAGLBSA-N 0 0 244.316 2.619 20 5 BFBDRN CCC(CC)SCCn1ccc([N+](=O)[O-])n1 ZINC000267221271 168396255 /nfs/dbraw/zinc/39/62/55/168396255.db2.gz UQDVKNOJKKPLKC-UHFFFAOYSA-N 0 0 243.332 2.713 20 5 BFBDRN CC[C@H](Nc1c([N+](=O)[O-])ncn1C)C(C)(C)C ZINC000609233443 342872011 /nfs/dbraw/zinc/87/20/11/342872011.db2.gz XOAHYTYUSCNQEM-QMMMGPOBSA-N 0 0 240.307 2.565 20 5 BFBDRN Cc1ccnc(NC[C@@H](C)C2CC2)c1[N+](=O)[O-] ZINC000134679415 342876180 /nfs/dbraw/zinc/87/61/80/342876180.db2.gz VQIFTRORLSBQBY-SECBINFHSA-N 0 0 235.287 2.756 20 5 BFBDRN O=[N+]([O-])c1ccc(SCCCCF)nc1 ZINC000349833783 398309315 /nfs/dbraw/zinc/30/93/15/398309315.db2.gz VHTJDQLFPBPYME-UHFFFAOYSA-N 0 0 230.264 2.832 20 5 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BFBDRN Cc1ccnc(N[C@H]2CC=CCC2)c1[N+](=O)[O-] ZINC000080120620 179460823 /nfs/dbraw/zinc/46/08/23/179460823.db2.gz PTGRRFPJTVOTRJ-JTQLQIEISA-N 0 0 233.271 2.819 20 5 BFBDRN CCC(C)(C)CCn1cc(C)c([N+](=O)[O-])n1 ZINC000596277173 348494396 /nfs/dbraw/zinc/49/43/96/348494396.db2.gz AWQOBVNZNMOJCP-UHFFFAOYSA-N 0 0 225.292 2.926 20 5 BFBDRN Cc1cc(S[C@@H]2CCOC2)c([N+](=O)[O-])s1 ZINC000596205385 348465948 /nfs/dbraw/zinc/46/59/48/348465948.db2.gz IZUQFJLQPWPBAU-SSDOTTSWSA-N 0 0 245.325 2.846 20 5 BFBDRN C[C@@H]1C[C@H](C)N1c1c(Cl)cncc1[N+](=O)[O-] ZINC000596223765 348470717 /nfs/dbraw/zinc/47/07/17/348470717.db2.gz SGAWECUWXFARQL-KNVOCYPGSA-N 0 0 241.678 2.630 20 5 BFBDRN COc1cc(NCCF)c(Cl)cc1[N+](=O)[O-] ZINC000596226307 348471187 /nfs/dbraw/zinc/47/11/87/348471187.db2.gz SHQWPROOALHWMK-UHFFFAOYSA-N 0 0 248.641 2.638 20 5 BFBDRN CC[C@H](C)CCNc1cccnc1[N+](=O)[O-] ZINC000596414939 348539221 /nfs/dbraw/zinc/53/92/21/348539221.db2.gz FFPXSZWZQHIHCA-VIFPVBQESA-N 0 0 223.276 2.838 20 5 BFBDRN 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Cc1nc(N[C@@H](C)C2CC2)ccc1[N+](=O)[O-] ZINC000161509276 180022126 /nfs/dbraw/zinc/02/21/26/180022126.db2.gz HRKMHXNOQVFCJW-ZETCQYMHSA-N 0 0 221.260 2.509 20 5 BFBDRN Cc1nc(N[C@H](C)C2CC2)ccc1[N+](=O)[O-] ZINC000161509409 180023814 /nfs/dbraw/zinc/02/38/14/180023814.db2.gz HRKMHXNOQVFCJW-SSDOTTSWSA-N 0 0 221.260 2.509 20 5 BFBDRN Cc1nc(N[C@H]2[C@@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000362842220 180023911 /nfs/dbraw/zinc/02/39/11/180023911.db2.gz YDBWYYZHOYEMDZ-GDGBQDQQSA-N 0 0 233.271 2.509 20 5 BFBDRN Cc1nc(N[C@H]2CC[C@@H](F)C2)ccc1[N+](=O)[O-] ZINC000340855268 180025228 /nfs/dbraw/zinc/02/52/28/180025228.db2.gz VWFAGXBPTPYHTB-BDAKNGLRSA-N 0 0 239.250 2.601 20 5 BFBDRN Cc1nc(N[C@H]2CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000161548399 180025377 /nfs/dbraw/zinc/02/53/77/180025377.db2.gz MTOSIIAPOCKHSG-SCZZXKLOSA-N 0 0 235.287 2.899 20 5 BFBDRN Cc1ncc([N+](=O)[O-])n1CCCC(C)(C)C ZINC000330714987 180175696 /nfs/dbraw/zinc/17/56/96/180175696.db2.gz SRPGGXSVIDUDLI-UHFFFAOYSA-N 0 0 225.292 2.926 20 5 BFBDRN Cc1ncc([N+](=O)[O-])n1C[C@@H]1CCCC1(F)F ZINC000336257728 180175979 /nfs/dbraw/zinc/17/59/79/180175979.db2.gz RQESQKLQWHGLMV-QMMMGPOBSA-N 0 0 245.229 2.535 20 5 BFBDRN CC(C)[C@H](Nc1cccnc1[N+](=O)[O-])C1CC1 ZINC000324582270 350308608 /nfs/dbraw/zinc/30/86/08/350308608.db2.gz XNVLDUMLCSORGC-NSHDSACASA-N 0 0 235.287 2.836 20 5 BFBDRN CCCCNc1ccsc1[N+](=O)[O-] ZINC000033901249 350461294 /nfs/dbraw/zinc/46/12/94/350461294.db2.gz ZKVRCOIETBFZSW-UHFFFAOYSA-N 0 0 200.263 2.868 20 5 BFBDRN Cc1nn(C[C@@H](C)CC(C)C)cc1[N+](=O)[O-] ZINC000281388321 180390754 /nfs/dbraw/zinc/39/07/54/180390754.db2.gz POEHAKRJIDYAQK-VIFPVBQESA-N 0 0 225.292 2.782 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(NCC(C)C)n1 ZINC000309539617 350710589 /nfs/dbraw/zinc/71/05/89/350710589.db2.gz DOPPDYPDJBGPRI-UHFFFAOYSA-N 0 0 223.276 2.675 20 5 BFBDRN O=[N+]([O-])c1ccccc1N1CCC[C@H]1C(F)F ZINC000343947265 351004601 /nfs/dbraw/zinc/00/46/01/351004601.db2.gz MIEKNAYOONIEHT-JTQLQIEISA-N 0 0 242.225 2.829 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1C[C@H]1C ZINC000086167853 351035477 /nfs/dbraw/zinc/03/54/77/351035477.db2.gz XWEBNOQGBZUMRS-PSASIEDQSA-N 0 0 248.282 2.806 20 5 BFBDRN C[C@@H]1[C@H](C)CN(c2ncc([N+](=O)[O-])s2)[C@H]1C ZINC000584341309 351040285 /nfs/dbraw/zinc/04/02/85/351040285.db2.gz DLCLILLDXQBROX-PRJMDXOYSA-N 0 0 241.316 2.532 20 5 BFBDRN CC1(CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000224436812 535158660 /nfs/dbraw/zinc/15/86/60/535158660.db2.gz FOEZBWZKWOJECR-UHFFFAOYSA-N 0 0 206.245 2.807 20 5 BFBDRN C[C@@H]1CCCCCN1c1ccc([N+](=O)[O-])nc1 ZINC000344425153 351124658 /nfs/dbraw/zinc/12/46/58/351124658.db2.gz VEPUQBXTTWCGQY-SNVBAGLBSA-N 0 0 235.287 2.759 20 5 BFBDRN O=[N+]([O-])c1ccc(NC[C@@H]2CC=CCC2)cn1 ZINC000344425136 351124680 /nfs/dbraw/zinc/12/46/80/351124680.db2.gz VCUNHLXQVIMBJR-SNVBAGLBSA-N 0 0 233.271 2.758 20 5 BFBDRN CC(C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000171912382 187475924 /nfs/dbraw/zinc/47/59/24/187475924.db2.gz DNKKPASMWBAZFF-VIFPVBQESA-N 0 0 236.271 2.825 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385192897 /nfs/dbraw/zinc/19/28/97/385192897.db2.gz URUWFMRUWWCOAD-ZETCQYMHSA-N 0 0 243.259 2.804 20 5 BFBDRN O=[N+]([O-])c1cccnc1N1CCC[C@@H]1C1CCC1 ZINC000264035530 385199118 /nfs/dbraw/zinc/19/91/18/385199118.db2.gz UAZQNGSQOBEEDZ-LLVKDONJSA-N 0 0 247.298 2.759 20 5 BFBDRN Cc1cnc(N[C@H]2CC2(C)C)c([N+](=O)[O-])c1 ZINC000085426877 385177406 /nfs/dbraw/zinc/17/74/06/385177406.db2.gz PLDJHRQRBAIGGC-VIFPVBQESA-N 0 0 221.260 2.509 20 5 BFBDRN Cc1c(Nc2ccc(C)cc2[N+](=O)[O-])cnn1C ZINC000338278238 385228899 /nfs/dbraw/zinc/22/88/99/385228899.db2.gz GOFORSJSJGIGQR-UHFFFAOYSA-N 0 0 246.270 2.689 20 5 BFBDRN CN(CC(C)(C)C)c1ccc(N)cc1[N+](=O)[O-] ZINC000287758844 385229569 /nfs/dbraw/zinc/22/95/69/385229569.db2.gz HJPBWQWGXCVNHR-UHFFFAOYSA-N 0 0 237.303 2.659 20 5 BFBDRN CC/C=C/CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000294918687 385307636 /nfs/dbraw/zinc/30/76/36/385307636.db2.gz GKKMFBQXJZVYEX-SNAWJCMRSA-N 0 0 221.260 2.676 20 5 BFBDRN COc1ccc([N+](=O)[O-])c(NCC[C@H](C)F)c1 ZINC000338750307 385276984 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385525370 /nfs/dbraw/zinc/52/53/70/385525370.db2.gz CMAFRGLMHSSGBQ-CYBMUJFWSA-N 0 0 243.266 2.717 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000336684578 385673457 /nfs/dbraw/zinc/67/34/57/385673457.db2.gz RARVCGCVZWBERX-GDNZZTSVSA-N 0 0 218.256 2.805 20 5 BFBDRN CC[C@H]1CCN1c1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000292400909 385697758 /nfs/dbraw/zinc/69/77/58/385697758.db2.gz UWEZEIVNKKBTBZ-NSHDSACASA-N 0 0 248.282 2.786 20 5 BFBDRN CCC1(CC)CN(c2ncccc2[N+](=O)[O-])C1 ZINC000292662241 385715351 /nfs/dbraw/zinc/71/53/51/385715351.db2.gz CMSILCKCGVKMLL-UHFFFAOYSA-N 0 0 235.287 2.616 20 5 BFBDRN Cc1ccc(OCC2CC2)c([N+](=O)[O-])c1 ZINC000129127697 385731748 /nfs/dbraw/zinc/73/17/48/385731748.db2.gz UIHFLDVVBYLSQV-UHFFFAOYSA-N 0 0 207.229 2.692 20 5 BFBDRN O=[N+]([O-])c1cc(CN2CCC[C@H]2CF)cs1 ZINC000293138522 385737732 /nfs/dbraw/zinc/73/77/32/385737732.db2.gz SRAMIFJNSMPOKZ-VIFPVBQESA-N 0 0 244.291 2.590 20 5 BFBDRN Cc1ccnc(N[C@@H]2C[C@H]3C[C@H]3C2)c1[N+](=O)[O-] ZINC000397842133 385724173 /nfs/dbraw/zinc/72/41/73/385724173.db2.gz WJFANIOUYPKPOE-ILWJIGKKSA-N 0 0 233.271 2.509 20 5 BFBDRN CC[C@H](Nc1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000292821297 385726217 /nfs/dbraw/zinc/72/62/17/385726217.db2.gz OWKTVMNUXFHCNL-NSHDSACASA-N 0 0 238.287 2.556 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C)[C@@H]2C)n1 ZINC000128571461 385829826 /nfs/dbraw/zinc/82/98/26/385829826.db2.gz RQVBDVVDJDSDOJ-WPRPVWTQSA-N 0 0 235.287 2.533 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(N2C3CCC2CC3)n1 ZINC000541932179 385908966 /nfs/dbraw/zinc/90/89/66/385908966.db2.gz HHSWUBXENDATLT-UHFFFAOYSA-N 0 0 247.298 2.738 20 5 BFBDRN CCCCOc1ccc([N+](=O)[O-])c(OC)c1 ZINC000355932528 385921065 /nfs/dbraw/zinc/92/10/65/385921065.db2.gz QBECTANRYSWLAI-UHFFFAOYSA-N 0 0 225.244 2.782 20 5 BFBDRN O=[N+]([O-])c1ccccc1-c1nc(CC2CC2)no1 ZINC000266552128 385924670 /nfs/dbraw/zinc/92/46/70/385924670.db2.gz IHJGBOPJRZEDPX-UHFFFAOYSA-N 0 0 245.238 2.597 20 5 BFBDRN CN(Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000182062211 386094296 /nfs/dbraw/zinc/09/42/96/386094296.db2.gz RHMYSCVLQQCKCI-UHFFFAOYSA-N 0 0 240.690 2.842 20 5 BFBDRN C[C@@H]1CCCC[C@H]1Cn1cnc([N+](=O)[O-])c1 ZINC000571939707 386277036 /nfs/dbraw/zinc/27/70/36/386277036.db2.gz OLYSJLYJTBUMHC-ZJUUUORDSA-N 0 0 223.276 2.618 20 5 BFBDRN Cc1cccc([N+](=O)[O-])c1N1CCC(F)(F)C1 ZINC000345078245 386490949 /nfs/dbraw/zinc/49/09/49/386490949.db2.gz JMZWUYJCKVOGJB-UHFFFAOYSA-N 0 0 242.225 2.749 20 5 BFBDRN C[C@@H]1CC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000345081955 386495687 /nfs/dbraw/zinc/49/56/87/386495687.db2.gz ZNCJONWYRMLGGC-ZJUUUORDSA-N 0 0 248.282 2.970 20 5 BFBDRN CS[C@@H](C)CNc1ccc(F)cc1[N+](=O)[O-] ZINC000128860450 386545283 /nfs/dbraw/zinc/54/52/83/386545283.db2.gz WOCGEOHXJWQTBC-ZETCQYMHSA-N 0 0 244.291 2.897 20 5 BFBDRN CC(C)C1(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000357197904 386550324 /nfs/dbraw/zinc/55/03/24/386550324.db2.gz FYYOOBSGIMDRQF-UHFFFAOYSA-N 0 0 248.282 2.513 20 5 BFBDRN CC(C)[C@H]1C[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000184802326 386574170 /nfs/dbraw/zinc/57/41/70/386574170.db2.gz LTPGCFVPBZSXEE-NEPJUHHUSA-N 0 0 248.282 2.825 20 5 BFBDRN CC/C=C(/C)C(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000133840183 386654538 /nfs/dbraw/zinc/65/45/38/386654538.db2.gz ZGIHYRVGAYEXJW-YVMONPNESA-N 0 0 249.270 2.593 20 5 BFBDRN CN(CCC1CC1)c1ccccc1[N+](=O)[O-] ZINC000120317341 386663933 /nfs/dbraw/zinc/66/39/33/386663933.db2.gz PJMGJYYELULTMF-UHFFFAOYSA-N 0 0 220.272 2.831 20 5 BFBDRN CCc1ccc(OCSC)c([N+](=O)[O-])c1 ZINC000292601283 386697349 /nfs/dbraw/zinc/69/73/49/386697349.db2.gz HTBAEWNRXXFFSK-UHFFFAOYSA-N 0 0 227.285 2.857 20 5 BFBDRN CO[C@@H](C)CCNc1ccc(C)cc1[N+](=O)[O-] ZINC000266985532 386740613 /nfs/dbraw/zinc/74/06/13/386740613.db2.gz RZQCUUGQQPHKJT-JTQLQIEISA-N 0 0 238.287 2.740 20 5 BFBDRN CC[C@](C)(CNc1ccc([N+](=O)[O-])cc1)OC ZINC000323070443 386740691 /nfs/dbraw/zinc/74/06/91/386740691.db2.gz WFFPKQLBKJOBOB-GFCCVEGCSA-N 0 0 238.287 2.822 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2C)c1 ZINC000267777203 386788537 /nfs/dbraw/zinc/78/85/37/386788537.db2.gz SCASPWGTTNQYOG-SNVBAGLBSA-N 0 0 248.282 2.528 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(NCCOC(C)C)c1 ZINC000168657995 386812862 /nfs/dbraw/zinc/81/28/62/386812862.db2.gz QZEWVJRWMAMXSS-UHFFFAOYSA-N 0 0 238.287 2.740 20 5 BFBDRN CSc1ccccc1Cn1cc([N+](=O)[O-])cn1 ZINC000358275898 386927065 /nfs/dbraw/zinc/92/70/65/386927065.db2.gz XAUQSADVSQJFBN-UHFFFAOYSA-N 0 0 249.295 2.562 20 5 BFBDRN CC(C)[C@H]1C[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000186643012 387030242 /nfs/dbraw/zinc/03/02/42/387030242.db2.gz DCMMORHBPIQQSI-VXGBXAGGSA-N 0 0 248.282 2.825 20 5 BFBDRN CO[C@H](C)CNc1c(Cl)cccc1[N+](=O)[O-] ZINC000224322051 387125730 /nfs/dbraw/zinc/12/57/30/387125730.db2.gz FMVDVGCMXZGKTC-SSDOTTSWSA-N 0 0 244.678 2.695 20 5 BFBDRN CC1(C)CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000514814204 387290285 /nfs/dbraw/zinc/29/02/85/387290285.db2.gz NTOZASKKGBVTAB-UHFFFAOYSA-N 0 0 235.287 2.616 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@@H](C2CC2)C2CCC2)cn1 ZINC000324943764 387301689 /nfs/dbraw/zinc/30/16/89/387301689.db2.gz YKIGQVFHGLYAMB-CYBMUJFWSA-N 0 0 247.298 2.980 20 5 BFBDRN O=[N+]([O-])c1ccccc1SC1CCOCC1 ZINC000270062328 387302103 /nfs/dbraw/zinc/30/21/03/387302103.db2.gz FUDPTWZYNRHVRT-UHFFFAOYSA-N 0 0 239.296 2.866 20 5 BFBDRN CC[C@H](F)COc1ccc([N+](=O)[O-])cc1F ZINC000440590490 387363354 /nfs/dbraw/zinc/36/33/54/387363354.db2.gz YFGAFGAYUIORIA-ZETCQYMHSA-N 0 0 231.198 2.861 20 5 BFBDRN CC[C@@H](C)CN(CC)c1ncc([N+](=O)[O-])s1 ZINC000192476570 387379454 /nfs/dbraw/zinc/37/94/54/387379454.db2.gz ZMCSNIYBQLXLMA-MRVPVSSYSA-N 0 0 243.332 2.924 20 5 BFBDRN CC[C@H](F)COc1cccc([N+](=O)[O-])c1 ZINC000440576135 387345438 /nfs/dbraw/zinc/34/54/38/387345438.db2.gz IHVRDRILMKHKIV-QMMMGPOBSA-N 0 0 213.208 2.722 20 5 BFBDRN C[C@H]1C[C@H](C)CN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000192761276 387431172 /nfs/dbraw/zinc/43/11/72/387431172.db2.gz CZJXKDGQHHTMHH-UWVGGRQHSA-N 0 0 249.314 2.659 20 5 BFBDRN Cc1ccc(NCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000083371317 387405054 /nfs/dbraw/zinc/40/50/54/387405054.db2.gz PHUCZMWKNLXLBS-UHFFFAOYSA-N 0 0 243.266 2.910 20 5 BFBDRN C[C@@H]1C[C@H]1CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000355029888 387465707 /nfs/dbraw/zinc/46/57/07/387465707.db2.gz BYPXXBYRZQQNAK-BDAKNGLRSA-N 0 0 234.255 2.579 20 5 BFBDRN CCC1(NC(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000296303925 387787950 /nfs/dbraw/zinc/78/79/50/387787950.db2.gz RBISAUJYQLEPLM-UHFFFAOYSA-N 0 0 248.282 2.576 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2C[C@@H]2C)n1 ZINC000359088432 177877039 /nfs/dbraw/zinc/87/70/39/177877039.db2.gz ZDHUANJZNYFLGG-OIBJUYFYSA-N 0 0 235.287 2.675 20 5 BFBDRN Cc1noc(C)c1CNc1cccc([N+](=O)[O-])c1 ZINC000026781399 387995432 /nfs/dbraw/zinc/99/54/32/387995432.db2.gz GFVYCGNNKHVVGI-UHFFFAOYSA-N 0 0 247.254 2.812 20 5 BFBDRN COC(C)(C)CNc1c(F)cccc1[N+](=O)[O-] ZINC000302657374 388344759 /nfs/dbraw/zinc/34/47/59/388344759.db2.gz IOJOFIWRSCZGFV-UHFFFAOYSA-N 0 0 242.250 2.571 20 5 BFBDRN CC[C@@H](CSC)Nc1ncccc1[N+](=O)[O-] ZINC000162140928 388347318 /nfs/dbraw/zinc/34/73/18/388347318.db2.gz UIEJOZPKVMZZJA-QMMMGPOBSA-N 0 0 241.316 2.543 20 5 BFBDRN Cc1c(NC(=O)[C@H]2CC2(C)C)cccc1[N+](=O)[O-] ZINC000131845134 388352594 /nfs/dbraw/zinc/35/25/94/388352594.db2.gz WKZIEKCVVAUHJC-SECBINFHSA-N 0 0 248.282 2.888 20 5 BFBDRN COC[C@H](C)Sc1ccc([N+](=O)[O-])cc1F ZINC000193509331 388364564 /nfs/dbraw/zinc/36/45/64/388364564.db2.gz OXTYFLISZSBEHN-ZETCQYMHSA-N 0 0 245.275 2.861 20 5 BFBDRN CC[C@H](CC(F)F)Cn1c(C)ncc1[N+](=O)[O-] ZINC000594887148 388369674 /nfs/dbraw/zinc/36/96/74/388369674.db2.gz HLARTMNCIPVIIB-MRVPVSSYSA-N 0 0 247.245 2.781 20 5 BFBDRN CC[C@@H](CC(F)F)Cn1c(C)ncc1[N+](=O)[O-] ZINC000594887149 388370059 /nfs/dbraw/zinc/37/00/59/388370059.db2.gz HLARTMNCIPVIIB-QMMMGPOBSA-N 0 0 247.245 2.781 20 5 BFBDRN CC[C@H]1CCN(c2nccc(C)c2[N+](=O)[O-])C1 ZINC000152828717 388370147 /nfs/dbraw/zinc/37/01/47/388370147.db2.gz VBJQITVQELXQTC-JTQLQIEISA-N 0 0 235.287 2.535 20 5 BFBDRN O=[N+]([O-])c1ccc(NCc2ccoc2)c(F)c1 ZINC000058002898 388371412 /nfs/dbraw/zinc/37/14/12/388371412.db2.gz KMWQSNXYULDZCF-UHFFFAOYSA-N 0 0 236.202 2.939 20 5 BFBDRN CCN(C(=O)c1csc([N+](=O)[O-])c1)C(C)C ZINC000193564801 388377362 /nfs/dbraw/zinc/37/73/62/388377362.db2.gz UAVPDYHYKAEKTD-UHFFFAOYSA-N 0 0 242.300 2.527 20 5 BFBDRN CC(=O)c1cc(N2CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000228258074 388380879 /nfs/dbraw/zinc/38/08/79/388380879.db2.gz PQYYAULLAGFPIM-VIFPVBQESA-N 0 0 248.282 2.786 20 5 BFBDRN CCCC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271827627 388406421 /nfs/dbraw/zinc/40/64/21/388406421.db2.gz WPOPCJJQHJEVLH-SECBINFHSA-N 0 0 236.271 2.572 20 5 BFBDRN CC[C@@H](C)CN(CC)c1ccc([N+](=O)[O-])nc1 ZINC000357504828 388393264 /nfs/dbraw/zinc/39/32/64/388393264.db2.gz QPHMVULVMDKIFY-SNVBAGLBSA-N 0 0 237.303 2.862 20 5 BFBDRN CC(C)=CC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271637678 388395478 /nfs/dbraw/zinc/39/54/78/388395478.db2.gz CCPCDRMTLQPXLV-SNVBAGLBSA-N 0 0 248.282 2.738 20 5 BFBDRN O=[N+]([O-])c1cccc(OCc2nccs2)c1 ZINC000161114335 388450501 /nfs/dbraw/zinc/45/05/01/388450501.db2.gz CDOVWXPZNRUHOS-UHFFFAOYSA-N 0 0 236.252 2.630 20 5 BFBDRN C[C@@H]1C[C@H](C)N1c1ncc([N+](=O)[O-])cc1Cl ZINC000515540584 256749490 /nfs/dbraw/zinc/74/94/90/256749490.db2.gz LXYGUTOOFVUSLX-KNVOCYPGSA-N 0 0 241.678 2.630 20 5 BFBDRN Cc1cnc(N[C@@H]2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000090692345 388471682 /nfs/dbraw/zinc/47/16/82/388471682.db2.gz PDHRSQPSXOECEI-VHSXEESVSA-N 0 0 235.287 2.899 20 5 BFBDRN Cc1cc(C(=O)N(C)C2CCC2)ccc1[N+](=O)[O-] ZINC000172694787 388410535 /nfs/dbraw/zinc/41/05/35/388410535.db2.gz VRAHWMOVGVVUBK-UHFFFAOYSA-N 0 0 248.282 2.528 20 5 BFBDRN CC(=O)c1ccc(N2CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000040718460 388425062 /nfs/dbraw/zinc/42/50/62/388425062.db2.gz ANNKWHRRMOHJTA-VIFPVBQESA-N 0 0 248.282 2.644 20 5 BFBDRN O=[N+]([O-])c1ccc(S[C@H]2CCCOC2)cc1 ZINC000272448156 388434068 /nfs/dbraw/zinc/43/40/68/388434068.db2.gz JLDKOCWIMGNNIZ-NSHDSACASA-N 0 0 239.296 2.866 20 5 BFBDRN COC[C@@H](C)CNc1ccc(C)cc1[N+](=O)[O-] ZINC000041675418 388439197 /nfs/dbraw/zinc/43/91/97/388439197.db2.gz JBGCPNGXRPNZIF-JTQLQIEISA-N 0 0 238.287 2.598 20 5 BFBDRN CO[C@@H](C)[C@@H](C)Nc1cc(C)ccc1[N+](=O)[O-] ZINC000161264191 388587526 /nfs/dbraw/zinc/58/75/26/388587526.db2.gz GVTPYOFMPHSKSH-ZJUUUORDSA-N 0 0 238.287 2.739 20 5 BFBDRN Cc1ccc(N2C[C@H](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000301465940 388591849 /nfs/dbraw/zinc/59/18/49/388591849.db2.gz HPGJNXNVNNPLOD-QWRGUYRKSA-N 0 0 234.299 2.995 20 5 BFBDRN CCC[C@@H]1C[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000462297446 388600976 /nfs/dbraw/zinc/60/09/76/388600976.db2.gz LUWZBPYRCLAJJB-BXKDBHETSA-N 0 0 248.282 2.970 20 5 BFBDRN CSCCCOc1ccccc1[N+](=O)[O-] ZINC000153654114 388608302 /nfs/dbraw/zinc/60/83/02/388608302.db2.gz VVPLDHISVDUBLC-UHFFFAOYSA-N 0 0 227.285 2.727 20 5 BFBDRN O=[N+]([O-])c1cnc(SC2CCCCC2)nc1 ZINC000273554968 388613477 /nfs/dbraw/zinc/61/34/77/388613477.db2.gz AVBRDKWHHNCZMI-UHFFFAOYSA-N 0 0 239.300 2.810 20 5 BFBDRN CCCCN(C)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000301357480 388579919 /nfs/dbraw/zinc/57/99/19/388579919.db2.gz MNYYLVHVTKVWOS-UHFFFAOYSA-N 0 0 238.287 2.840 20 5 BFBDRN C[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC000252894329 388580922 /nfs/dbraw/zinc/58/09/22/388580922.db2.gz UUOOMMSZLAJFAL-MGCOHNPYSA-N 0 0 235.287 2.980 20 5 BFBDRN CC[C@H](CSc1ccc([N+](=O)[O-])cn1)OC ZINC000416905472 388672174 /nfs/dbraw/zinc/67/21/74/388672174.db2.gz JMRYMGMGKAQILX-SECBINFHSA-N 0 0 242.300 2.507 20 5 BFBDRN CC[C@H](COc1ccc([N+](=O)[O-])c(C)c1)OC ZINC000416899846 388672241 /nfs/dbraw/zinc/67/22/41/388672241.db2.gz HBNPZFYASGXHIU-SNVBAGLBSA-N 0 0 239.271 2.707 20 5 BFBDRN O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CC23CC3)cs1 ZINC000418100928 388675234 /nfs/dbraw/zinc/67/52/34/388675234.db2.gz RQHRTXABALOFIU-SECBINFHSA-N 0 0 238.312 2.546 20 5 BFBDRN O=C(Oc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000078233933 388679880 /nfs/dbraw/zinc/67/98/80/388679880.db2.gz IIOLGBXMXLELLK-UHFFFAOYSA-N 0 0 235.239 2.690 20 5 BFBDRN CCCc1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000273860396 388633890 /nfs/dbraw/zinc/63/38/90/388633890.db2.gz RTVDYOPHWPVRDN-UHFFFAOYSA-N 0 0 247.254 2.906 20 5 BFBDRN CC(C)=CCOc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000330505299 388757475 /nfs/dbraw/zinc/75/74/75/388757475.db2.gz FZEKBTWRXNEKRS-UHFFFAOYSA-N 0 0 236.271 2.952 20 5 BFBDRN O=[N+]([O-])c1cccc2c1ccn2CC1CC1 ZINC000124302394 388745934 /nfs/dbraw/zinc/74/59/34/388745934.db2.gz KVXZDVJAZQWYQY-UHFFFAOYSA-N 0 0 216.240 2.960 20 5 BFBDRN O=[N+]([O-])c1cnc(NC2CCC3(CC3)CC2)nc1 ZINC000277440567 388746748 /nfs/dbraw/zinc/74/67/48/388746748.db2.gz NHBWLNFHBQXOMX-UHFFFAOYSA-N 0 0 248.286 2.520 20 5 BFBDRN COC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000019989285 388753057 /nfs/dbraw/zinc/75/30/57/388753057.db2.gz OQGSLSYPWJODAD-SSDOTTSWSA-N 0 0 244.678 2.695 20 5 BFBDRN C[C@@H](CO)S[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000079096862 388693194 /nfs/dbraw/zinc/69/31/94/388693194.db2.gz KDCMCKNDKAFPOM-IUCAKERBSA-N 0 0 241.312 2.770 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC000425297142 388703220 /nfs/dbraw/zinc/70/32/20/388703220.db2.gz HSWBQAZSCIMUJF-JGPRNRPPSA-N 0 0 247.298 2.817 20 5 BFBDRN C[C@H](Cn1cnc([N+](=O)[O-])c1)c1ccccc1 ZINC000116611574 388713817 /nfs/dbraw/zinc/71/38/17/388713817.db2.gz ZWANMMASUYWIOT-SNVBAGLBSA-N 0 0 231.255 2.595 20 5 BFBDRN C[C@H]1C[C@H](C)N1c1ccccc1[N+](=O)[O-] ZINC000530484696 388714914 /nfs/dbraw/zinc/71/49/14/388714914.db2.gz PHQFIYLYGHSMMH-IUCAKERBSA-N 0 0 206.245 2.582 20 5 BFBDRN Cc1ccn(CCCC(C)C)c(=O)c1[N+](=O)[O-] ZINC000428057076 388720096 /nfs/dbraw/zinc/72/00/96/388720096.db2.gz UYGVEIQRJCNQTO-UHFFFAOYSA-N 0 0 238.287 2.501 20 5 BFBDRN O=[N+]([O-])c1ccccc1N1C[C@H]2CCCC[C@H]21 ZINC000377994576 388727242 /nfs/dbraw/zinc/72/72/42/388727242.db2.gz UXLPOYAQUOCYBS-GHMZBOCLSA-N 0 0 232.283 2.974 20 5 BFBDRN CC(C)=CCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607429 388732480 /nfs/dbraw/zinc/73/24/80/388732480.db2.gz DYSYTQIXAAFITM-UHFFFAOYSA-N 0 0 246.310 2.919 20 5 BFBDRN CN(CC(C)(C)C)c1ncc([N+](=O)[O-])s1 ZINC000281871012 388808840 /nfs/dbraw/zinc/80/88/40/388808840.db2.gz KXEKEXMRAJWPJS-UHFFFAOYSA-N 0 0 229.305 2.534 20 5 BFBDRN CCSCCCNc1ccc([N+](=O)[O-])cn1 ZINC000281901885 388810805 /nfs/dbraw/zinc/81/08/05/388810805.db2.gz MTCAOMVRDYINQW-UHFFFAOYSA-N 0 0 241.316 2.545 20 5 BFBDRN CC(C)(C)CCOc1cccnc1[N+](=O)[O-] ZINC000285364765 388835460 /nfs/dbraw/zinc/83/54/60/388835460.db2.gz WWSCIOOFPYYAHQ-UHFFFAOYSA-N 0 0 224.260 2.805 20 5 BFBDRN O=[N+]([O-])c1cc(F)ccc1-c1nc(C2CC2)no1 ZINC000161833380 388842130 /nfs/dbraw/zinc/84/21/30/388842130.db2.gz FTNDKCRLDBLIAM-UHFFFAOYSA-N 0 0 249.201 2.661 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(N2[C@@H](C)C[C@@H]2C)n1 ZINC000530485007 322815522 /nfs/dbraw/zinc/81/55/22/322815522.db2.gz YACHZWZNQMKDKH-UWVGGRQHSA-N 0 0 235.287 2.594 20 5 BFBDRN C[C@H](N(C)c1ccc([N+](=O)[O-])cn1)C(C)(C)C ZINC000519965784 322817362 /nfs/dbraw/zinc/81/73/62/322817362.db2.gz CPXDDKUVYJZMFN-VIFPVBQESA-N 0 0 237.303 2.861 20 5 BFBDRN COCCCCOc1ccc([N+](=O)[O-])c(C)c1 ZINC000505481320 533267263 /nfs/dbraw/zinc/26/72/63/533267263.db2.gz RDKNMQPVJNJJMR-UHFFFAOYSA-N 0 0 239.271 2.709 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CCC[C@@H]3CCC[C@H]32)nc1 ZINC000266286611 132186333 /nfs/dbraw/zinc/18/63/33/132186333.db2.gz VNYXJRYGCIXBNL-CMPLNLGQSA-N 0 0 247.298 2.759 20 5 BFBDRN Cc1cc(N2CC[C@H](C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000266802945 132187582 /nfs/dbraw/zinc/18/75/82/132187582.db2.gz CMJMCRTUAMIEAH-GXSJLCMTSA-N 0 0 249.314 2.923 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CCC=C(F)C2)c(F)c1 ZINC000272335511 132199944 /nfs/dbraw/zinc/19/99/44/132199944.db2.gz AUHAHFHBUWILBR-UHFFFAOYSA-N 0 0 240.209 2.797 20 5 BFBDRN COc1cccc(N2CCC=C(C)C2)c1[N+](=O)[O-] ZINC000280702181 132210951 /nfs/dbraw/zinc/21/09/51/132210951.db2.gz GYWCWFZPPQQQHF-UHFFFAOYSA-N 0 0 248.282 2.760 20 5 BFBDRN CC1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000048567920 132228086 /nfs/dbraw/zinc/22/80/86/132228086.db2.gz DHPKXYYULYKXKK-UHFFFAOYSA-N 0 0 238.262 2.970 20 5 BFBDRN 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2.980 20 5 BFBDRN C[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000105385297 176131441 /nfs/dbraw/zinc/13/14/41/176131441.db2.gz GGMNKWNGDQQIPW-KOLCDFICSA-N 0 0 248.282 2.513 20 5 BFBDRN C[C@@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])[C@@H]1C ZINC000301493078 176181643 /nfs/dbraw/zinc/18/16/43/176181643.db2.gz QBCFXMJHYHNJEZ-RKDXNWHRSA-N 0 0 238.262 2.969 20 5 BFBDRN C[C@@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000263768399 176181997 /nfs/dbraw/zinc/18/19/97/176181997.db2.gz WBWONXPBGVYENI-MRVPVSSYSA-N 0 0 224.235 2.580 20 5 BFBDRN C[C@@H]1CC[C@@H](C)N(c2ncc([N+](=O)[O-])s2)C1 ZINC000192472523 176199411 /nfs/dbraw/zinc/19/94/11/176199411.db2.gz TYADAFQJWSKFQQ-HTQZYQBOSA-N 0 0 241.316 2.676 20 5 BFBDRN C[C@@H]1CC[C@H](N(C)c2ncc([N+](=O)[O-])s2)C1 ZINC000336932035 176229474 /nfs/dbraw/zinc/22/94/74/176229474.db2.gz QMIQYQIZLVVFKV-SFYZADRCSA-N 0 0 241.316 2.676 20 5 BFBDRN C[C@@H]1C[C@@H]1CNc1c(F)cccc1[N+](=O)[O-] ZINC000304568269 176397501 /nfs/dbraw/zinc/39/75/01/176397501.db2.gz QWUMXQMDAPMYFP-HTQZYQBOSA-N 0 0 224.235 2.802 20 5 BFBDRN C[C@H](C1CCC1)N(C)c1ncccc1[N+](=O)[O-] ZINC000356771205 176595043 /nfs/dbraw/zinc/59/50/43/176595043.db2.gz CTFJXCLHJLEWNC-SECBINFHSA-N 0 0 235.287 2.615 20 5 BFBDRN C[C@H](O)[C@H](C)S/C=C/c1ccc([N+](=O)[O-])o1 ZINC000284388116 177012281 /nfs/dbraw/zinc/01/22/81/177012281.db2.gz YTOHJJLJZVPOES-JBGJSGBSSA-N 0 0 243.284 2.661 20 5 BFBDRN C[C@H](O)[C@H](C)SCc1ccccc1[N+](=O)[O-] ZINC000079069172 177012988 /nfs/dbraw/zinc/01/29/88/177012988.db2.gz PZCRIOQJJYYZNM-IUCAKERBSA-N 0 0 241.312 2.597 20 5 BFBDRN C[C@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000054614574 177089526 /nfs/dbraw/zinc/08/95/26/177089526.db2.gz MOKUMGDZDGYUPN-GXSJLCMTSA-N 0 0 235.287 2.980 20 5 BFBDRN C[C@H]1CCCN1c1cccc(F)c1[N+](=O)[O-] ZINC000054269509 177112096 /nfs/dbraw/zinc/11/20/96/177112096.db2.gz PRFYNKYDCRQXPO-QMMMGPOBSA-N 0 0 224.235 2.723 20 5 BFBDRN C[C@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000286234135 177171201 /nfs/dbraw/zinc/17/12/01/177171201.db2.gz LWJNYRRADIOSGK-QMMMGPOBSA-N 0 0 224.235 2.580 20 5 BFBDRN C[C@@H]1[C@@H](C)CCN1c1ccc([N+](=O)[O-])cc1F ZINC000301487972 177171423 /nfs/dbraw/zinc/17/14/23/177171423.db2.gz IVBXBMLUTBQQHW-DTWKUNHWSA-N 0 0 238.262 2.969 20 5 BFBDRN C[C@@H]1C[C@@H](C)CCN1c1ncc([N+](=O)[O-])s1 ZINC000281885944 177172009 /nfs/dbraw/zinc/17/20/09/177172009.db2.gz LRGBFQFVZDNKCS-JGVFFNPUSA-N 0 0 241.316 2.676 20 5 BFBDRN C[C@H]1CC[C@@H](N(C)c2ncc([N+](=O)[O-])s2)C1 ZINC000336932034 177191461 /nfs/dbraw/zinc/19/14/61/177191461.db2.gz QMIQYQIZLVVFKV-JGVFFNPUSA-N 0 0 241.316 2.676 20 5 BFBDRN C[C@H]1CC[C@@H](OC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000272377636 177194054 /nfs/dbraw/zinc/19/40/54/177194054.db2.gz VQDSSNUXMCQULW-JGVFFNPUSA-N 0 0 239.227 2.533 20 5 BFBDRN C[C@H]1CC[C@H](OC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000272377645 177206111 /nfs/dbraw/zinc/20/61/11/177206111.db2.gz VQDSSNUXMCQULW-YUMQZZPRSA-N 0 0 239.227 2.533 20 5 BFBDRN C[C@H]1C[C@@H]1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000159443258 177345632 /nfs/dbraw/zinc/34/56/32/177345632.db2.gz YSCSPUOKDRKVHC-JGVFFNPUSA-N 0 0 246.270 2.539 20 5 BFBDRN C[C@@H]1CCN(c2ncc([N+](=O)[O-])s2)[C@@H](C)C1 ZINC000281885948 177355876 /nfs/dbraw/zinc/35/58/76/177355876.db2.gz LRGBFQFVZDNKCS-SFYZADRCSA-N 0 0 241.316 2.676 20 5 BFBDRN C[C@H]1C[C@H]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000361466362 177377571 /nfs/dbraw/zinc/37/75/71/177377571.db2.gz QFEYOFUMNJQFQA-UWVGGRQHSA-N 0 0 248.282 2.604 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@H]2[C@@H]3CCC[C@@H]32)c(F)c1 ZINC000486480464 225264004 /nfs/dbraw/zinc/26/40/04/225264004.db2.gz RYATWEWYMPHYHW-GDGBQDQQSA-N 0 0 236.246 2.944 20 5 BFBDRN C[C@@H](F)CCOc1ccccc1[N+](=O)[O-] ZINC000505455107 226355495 /nfs/dbraw/zinc/35/54/95/226355495.db2.gz GQPVBSMNLILSPM-MRVPVSSYSA-N 0 0 213.208 2.722 20 5 BFBDRN C[C@H](F)CCOc1cccc([N+](=O)[O-])c1 ZINC000505466264 226355510 /nfs/dbraw/zinc/35/55/10/226355510.db2.gz DXXPNPJFSIGZLO-QMMMGPOBSA-N 0 0 213.208 2.722 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@H](C2CC2)C2CCC2)nc1 ZINC000324880432 262796779 /nfs/dbraw/zinc/79/67/79/262796779.db2.gz KNVFWZFANGFNHU-ZDUSSCGKSA-N 0 0 247.298 2.980 20 5 BFBDRN COc1cccc(N[C@@H]2C[C@H]3C[C@H]3C2)c1[N+](=O)[O-] ZINC000397735652 262931422 /nfs/dbraw/zinc/93/14/22/262931422.db2.gz FUXSXQAQTDJWCF-ILWJIGKKSA-N 0 0 248.282 2.814 20 5 BFBDRN Cc1cnc(N2CC[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000267639179 487936330 /nfs/dbraw/zinc/93/63/30/487936330.db2.gz KRXBXUSLSXPXNT-VHSXEESVSA-N 0 0 235.287 2.533 20 5 BFBDRN C[C@H]1C[C@H](C)N1c1c(F)cccc1[N+](=O)[O-] ZINC000561327624 322999818 /nfs/dbraw/zinc/99/98/18/322999818.db2.gz WWGCAUBFLPMKSD-YUMQZZPRSA-N 0 0 224.235 2.721 20 5 BFBDRN CCc1nocc1COc1cccc([N+](=O)[O-])c1 ZINC000562439621 323019908 /nfs/dbraw/zinc/01/99/08/323019908.db2.gz ABTFPPCDEXVXDY-UHFFFAOYSA-N 0 0 248.238 2.724 20 5 BFBDRN CC[C@@]1(C)C[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000159861976 323051055 /nfs/dbraw/zinc/05/10/55/323051055.db2.gz QWHPLCGFYYOGSY-AAEUAGOBSA-N 0 0 248.282 2.970 20 5 BFBDRN CC[C@]1(C)C[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000159871232 323051120 /nfs/dbraw/zinc/05/11/20/323051120.db2.gz QOWJGFSNCCTLQP-DGCLKSJQSA-N 0 0 248.282 2.970 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(NCc2ccoc2)n1 ZINC000130072410 325009924 /nfs/dbraw/zinc/00/99/24/325009924.db2.gz NZDQQGNNNMDRQE-UHFFFAOYSA-N 0 0 233.227 2.503 20 5 BFBDRN Cc1cc([N+](=O)[O-])ccc1OCc1ccccn1 ZINC000131373748 325143366 /nfs/dbraw/zinc/14/33/66/325143366.db2.gz JSENHNZZCHYVEF-UHFFFAOYSA-N 0 0 244.250 2.877 20 5 BFBDRN CC(C)=CCN1CCc2ccc([N+](=O)[O-])cc21 ZINC000544484083 325145319 /nfs/dbraw/zinc/14/53/19/325145319.db2.gz YARRHEQGHPXWEW-UHFFFAOYSA-N 0 0 232.283 2.924 20 5 BFBDRN C[C@H]1C[C@@H]1c1noc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000546475481 325282100 /nfs/dbraw/zinc/28/21/00/325282100.db2.gz IWSXLDOZCJJZAA-XVKPBYJWSA-N 0 0 245.238 2.768 20 5 BFBDRN C[C@@H]1C[C@H]1c1noc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000546475478 325282607 /nfs/dbraw/zinc/28/26/07/325282607.db2.gz IWSXLDOZCJJZAA-GMSGAONNSA-N 0 0 245.238 2.768 20 5 BFBDRN Cc1nccc(Oc2cc(F)cc([N+](=O)[O-])c2)n1 ZINC000135532068 325416977 /nfs/dbraw/zinc/41/69/77/325416977.db2.gz ZOYQFUMRNOQSNI-UHFFFAOYSA-N 0 0 249.201 2.625 20 5 BFBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1=CCCC1 ZINC000155283888 326191566 /nfs/dbraw/zinc/19/15/66/326191566.db2.gz BATUCGQEDLLBFX-UHFFFAOYSA-N 0 0 246.266 2.952 20 5 BFBDRN COc1ccc([N+](=O)[O-])c(OC2CCCC2)c1 ZINC000568760886 326375554 /nfs/dbraw/zinc/37/55/54/326375554.db2.gz CVFZLUCLQPGKNW-UHFFFAOYSA-N 0 0 237.255 2.925 20 5 BFBDRN Cc1c(NC(=O)C2(C)CC2)cccc1[N+](=O)[O-] ZINC000159229812 326390877 /nfs/dbraw/zinc/39/08/77/326390877.db2.gz ZHPZMAQCGSRYBB-UHFFFAOYSA-N 0 0 234.255 2.642 20 5 BFBDRN C[C@@H]1CC(C)(C)CN1c1ccc([N+](=O)[O-])cn1 ZINC000569210243 326395153 /nfs/dbraw/zinc/39/51/53/326395153.db2.gz JMVCPXIOIQZVPI-SECBINFHSA-N 0 0 235.287 2.615 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(OCC(=O)C2CCC2)c1 ZINC000277999205 488160647 /nfs/dbraw/zinc/16/06/47/488160647.db2.gz KJMQCDWYDUANDJ-UHFFFAOYSA-N 0 0 249.266 2.651 20 5 BFBDRN CN(C(=O)c1csc([N+](=O)[O-])c1)C(C)(C)C ZINC000335418449 536070131 /nfs/dbraw/zinc/07/01/31/536070131.db2.gz OPGAQKJUGJKWED-UHFFFAOYSA-N 0 0 242.300 2.527 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(OCCOC(F)F)c1 ZINC000853015907 588715816 /nfs/dbraw/zinc/71/58/16/588715816.db2.gz YGRHNLHGZVIVFS-UHFFFAOYSA-N 0 0 247.197 2.521 20 5 BFBDRN Cc1cc(N2CC[C@H]3C[C@H]32)c([N+](=O)[O-])s1 ZINC000853569372 588749022 /nfs/dbraw/zinc/74/90/22/588749022.db2.gz RIGNBMYLWJYJIZ-JGVFFNPUSA-N 0 0 224.285 2.563 20 5 BFBDRN Cc1ccc(N2CC[C@H]2C(F)F)c([N+](=O)[O-])c1 ZINC000853650332 588752192 /nfs/dbraw/zinc/75/21/92/588752192.db2.gz OQXLJYVXHJPYRO-VIFPVBQESA-N 0 0 242.225 2.747 20 5 BFBDRN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)[C@H]1C ZINC000853650746 588752241 /nfs/dbraw/zinc/75/22/41/588752241.db2.gz VPNQPLUOCAAOAW-SFYZADRCSA-N 0 0 224.235 2.579 20 5 BFBDRN Cc1ccc(N2C[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000853650999 588752403 /nfs/dbraw/zinc/75/24/03/588752403.db2.gz ZEPPROKCLKLASJ-ZJUUUORDSA-N 0 0 220.272 2.748 20 5 BFBDRN CC(C)=CCCOc1ccc(N)c([N+](=O)[O-])c1 ZINC000853662269 588753860 /nfs/dbraw/zinc/75/38/60/588753860.db2.gz DAKDDQYSNUPYHS-UHFFFAOYSA-N 0 0 236.271 2.912 20 5 BFBDRN CC(C)(F)CCNc1ccc(N)cc1[N+](=O)[O-] ZINC000853841550 588765769 /nfs/dbraw/zinc/76/57/69/588765769.db2.gz QBHCCTUKUDLVHH-UHFFFAOYSA-N 0 0 241.266 2.727 20 5 BFBDRN CC[C@H](C)OC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000111677958 588766232 /nfs/dbraw/zinc/76/62/32/588766232.db2.gz JRRUZKWGNNZDAR-ZETCQYMHSA-N 0 0 241.218 2.689 20 5 BFBDRN CCC(F)(F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000854128555 588775630 /nfs/dbraw/zinc/77/56/30/588775630.db2.gz LNPMSHREQNUKPC-UHFFFAOYSA-N 0 0 244.197 2.579 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CC[C@@H](C(F)F)C2)cc1 ZINC000804689214 582527072 /nfs/dbraw/zinc/52/70/72/582527072.db2.gz YDDQJNQDIKZYJS-MRVPVSSYSA-N 0 0 242.225 2.686 20 5 BFBDRN CCOc1cc(N2CC[C@@H]3C[C@@H]32)ccc1[N+](=O)[O-] ZINC000804690075 582527219 /nfs/dbraw/zinc/52/72/19/582527219.db2.gz XUCWOWNIOPUSEB-SKDRFNHKSA-N 0 0 248.282 2.592 20 5 BFBDRN Cc1ccc(N2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 ZINC000804784680 582556273 /nfs/dbraw/zinc/55/62/73/582556273.db2.gz REBOVCNRMGGSKN-PWSUYJOCSA-N 0 0 232.283 2.892 20 5 BFBDRN CCNc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000220380168 582730459 /nfs/dbraw/zinc/73/04/59/582730459.db2.gz SYSHGFHTFCLULW-UHFFFAOYSA-N 0 0 218.615 2.819 20 5 BFBDRN CCCCCC(C)(C)C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814042264 583338190 /nfs/dbraw/zinc/33/81/90/583338190.db2.gz VGENTSLRXMBKBD-JTQLQIEISA-N 0 0 245.319 2.801 20 5 BFBDRN C/C=C\COC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000206037999 583406157 /nfs/dbraw/zinc/40/61/57/583406157.db2.gz USXWXYQHFFIYGR-ARJAWSKDSA-N 0 0 235.239 2.636 20 5 BFBDRN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1Nc1cc(N)ccc1[N+](=O)[O-] ZINC000895540397 583687986 /nfs/dbraw/zinc/68/79/86/583687986.db2.gz GHJPCRPAWHPMDU-CZULRBLNSA-N 0 0 247.298 2.633 20 5 BFBDRN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000895540434 583688041 /nfs/dbraw/zinc/68/80/41/583688041.db2.gz GVYPVHWBHZIHMV-OOJXKGFFSA-N 0 0 239.300 2.508 20 5 BFBDRN O=[N+]([O-])c1ccc(NCCC2CC=CC2)nc1 ZINC000896094489 583771255 /nfs/dbraw/zinc/77/12/55/583771255.db2.gz NUABKVZCIDCVAF-UHFFFAOYSA-N 0 0 233.271 2.758 20 5 BFBDRN CCC[C@@H](O)CCNc1sccc1[N+](=O)[O-] ZINC000896187740 583781626 /nfs/dbraw/zinc/78/16/26/583781626.db2.gz SVGZGSWUWDRESI-MRVPVSSYSA-N 0 0 244.316 2.619 20 5 BFBDRN CC(C)(CNc1ccc([N+](=O)[O-])nc1)C1CC1 ZINC000896782509 583833280 /nfs/dbraw/zinc/83/32/80/583833280.db2.gz CRGFELBZHXYXDS-UHFFFAOYSA-N 0 0 235.287 2.838 20 5 BFBDRN O=[N+]([O-])c1ccc(SC2COC2)c(Cl)c1 ZINC000896958230 583864365 /nfs/dbraw/zinc/86/43/65/583864365.db2.gz IKPFVLIEOKKPSJ-UHFFFAOYSA-N 0 0 245.687 2.739 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CC[C@H]2C2CCCC2)nc1 ZINC000897156139 583886003 /nfs/dbraw/zinc/88/60/03/583886003.db2.gz QORNPMGIOWKVAX-LBPRGKRZSA-N 0 0 247.298 2.759 20 5 BFBDRN O=[N+]([O-])c1cnc(N[C@@H]2C[C@H]3CCC[C@H]32)s1 ZINC000897178679 583890991 /nfs/dbraw/zinc/89/09/91/583890991.db2.gz DFNZVQCXNRNRSV-BWZBUEFSSA-N 0 0 239.300 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CC[C@@H](C[C@H](C)O)Nc1ccsc1[N+](=O)[O-] ZINC000716803181 712575307 /nfs/dbraw/zinc/57/53/07/712575307.db2.gz JHBLVCYWBLDTFE-YUMQZZPRSA-N 0 0 244.316 2.618 20 5 BFBDRN Cc1nc(N[C@@H]2CC23CCC3)ccc1[N+](=O)[O-] ZINC000721238595 712900149 /nfs/dbraw/zinc/90/01/49/712900149.db2.gz AUXAFPKXWLAYAD-SNVBAGLBSA-N 0 0 233.271 2.653 20 5 BFBDRN O=[N+]([O-])c1ccccc1NC[C@@H]1CCC=CO1 ZINC000050268546 711591134 /nfs/dbraw/zinc/59/11/34/711591134.db2.gz RRGOAHKRLAZOML-JTQLQIEISA-N 0 0 234.255 2.699 20 5 BFBDRN Cc1ccc([N+](=O)[O-])cc1OC(=O)CC(C)C ZINC000125137881 711718152 /nfs/dbraw/zinc/71/81/52/711718152.db2.gz KYBOSNIOFGMOGM-UHFFFAOYSA-N 0 0 237.255 2.855 20 5 BFBDRN O=[N+]([O-])c1ccc(F)cc1OCCC1CC1 ZINC000087543458 711837264 /nfs/dbraw/zinc/83/72/64/711837264.db2.gz KFDUBHGGGLTSPC-UHFFFAOYSA-N 0 0 225.219 2.913 20 5 BFBDRN O=[N+]([O-])c1cc(F)ccc1N[C@@H]1C=CCC1 ZINC000700523943 711996595 /nfs/dbraw/zinc/99/65/95/711996595.db2.gz JVAIEGVIWAKRTL-SECBINFHSA-N 0 0 222.219 2.864 20 5 BFBDRN Cc1cc(NC[C@H]2C=CCC2)ncc1[N+](=O)[O-] ZINC000711711704 712320150 /nfs/dbraw/zinc/32/01/50/712320150.db2.gz RBWQSPNATROGOV-JTQLQIEISA-N 0 0 233.271 2.676 20 5 BFBDRN Cc1nc(NC[C@@H]2C=CCC2)ccc1[N+](=O)[O-] ZINC000711708276 712320249 /nfs/dbraw/zinc/32/02/49/712320249.db2.gz GNCSCEXEXKRTOJ-SNVBAGLBSA-N 0 0 233.271 2.676 20 5 BFBDRN CC[C@@H](C[C@@H](C)O)Nc1ccc([N+](=O)[O-])cc1 ZINC000716893073 712580719 /nfs/dbraw/zinc/58/07/19/712580719.db2.gz XBDWWPPWHABTGM-ZJUUUORDSA-N 0 0 238.287 2.556 20 5 BFBDRN O=[N+]([O-])c1c(F)cc(F)cc1NC1CC(F)C1 ZINC001162212554 964873974 /nfs/dbraw/zinc/87/39/74/964873974.db2.gz PZJFKUXFHROYIG-UHFFFAOYSA-N 0 0 246.188 2.785 20 5 BFBDRN C[C@H](Oc1ccccc1[N+](=O)[O-])C1CC1 ZINC001227482943 975471624 /nfs/dbraw/zinc/47/16/24/975471624.db2.gz PJKKZNQXNPBQCY-QMMMGPOBSA-N 0 0 207.229 2.772 20 5 BFBDRN O=[N+]([O-])c1ccc(OC2CC(F)(F)C2)cc1 ZINC001227520766 975499998 /nfs/dbraw/zinc/49/99/98/975499998.db2.gz KZKBSGMAMQYCDW-UHFFFAOYSA-N 0 0 229.182 2.771 20 5 BFBDRN COC[C@H](C)Oc1c(C)cc(C)cc1[N+](=O)[O-] ZINC001228230884 976005159 /nfs/dbraw/zinc/00/51/59/976005159.db2.gz WNMGXXPEZRUTQE-JTQLQIEISA-N 0 0 239.271 2.625 20 5 BFBDRN CC[C@@H](COC)Oc1cccc([N+](=O)[O-])c1F ZINC001225793820 974684479 /nfs/dbraw/zinc/68/44/79/974684479.db2.gz FXGDSHHCSJUPQQ-QMMMGPOBSA-N 0 0 243.234 2.538 20 5 BFBDRN CC(C)OCCOc1cccc([N+](=O)[O-])c1F ZINC001225793519 974684590 /nfs/dbraw/zinc/68/45/90/974684590.db2.gz AKDWCZLNOJDTRD-UHFFFAOYSA-N 0 0 243.234 2.538 20 5 BFBDRN CC[C@@H](C)OCc1ccc(OC)cc1[N+](=O)[O-] ZINC001223513621 973133105 /nfs/dbraw/zinc/13/31/05/973133105.db2.gz FBVSFHQSCNSDPL-SECBINFHSA-N 0 0 239.271 2.919 20 5 BFBDRN CCC[C@H](C)OCc1ccc([N+](=O)[O-])nc1 ZINC001224108834 973451567 /nfs/dbraw/zinc/45/15/67/973451567.db2.gz LDXFTCBGOAGVFR-VIFPVBQESA-N 0 0 224.260 2.695 20 5 BFBDRN C[C@@H]1C[C@@H]1c1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001256745690 970979599 /nfs/dbraw/zinc/97/95/99/970979599.db2.gz AMSYHOOSCXABRE-APPZFPTMSA-N 0 0 245.238 2.768 20 5 BFBDRN O=c1cc(Nc2cc(F)cc([N+](=O)[O-])c2)cc[nH]1 ZINC001216481396 971092223 /nfs/dbraw/zinc/09/22/23/971092223.db2.gz YGMQXFKEZMWESQ-UHFFFAOYSA-N 0 0 249.201 2.578 20 5 BFBDRN Cc1cnc(Nc2cc(F)cc([N+](=O)[O-])c2)o1 ZINC001216481077 971094118 /nfs/dbraw/zinc/09/41/18/971094118.db2.gz QBNKJBOVHTURCW-UHFFFAOYSA-N 0 0 237.190 2.774 20 5 BFBDRN CC[C@H](C)[C@@H](C)Oc1ccc(N)c([N+](=O)[O-])c1 ZINC001218318344 971707644 /nfs/dbraw/zinc/70/76/44/971707644.db2.gz UFGBBBQAWKLYOT-DTWKUNHWSA-N 0 0 238.287 2.990 20 5 BFBDRN CCCC=Nc1c(Cl)nccc1[N+](=O)[O-] ZINC001170766463 971760225 /nfs/dbraw/zinc/76/02/25/971760225.db2.gz JCMFXOOXFYUJKS-HWKANZROSA-N 0 0 227.651 2.979 20 5 BFBDRN CCC=CNc1cc([N+](=O)[O-])c2nccn2c1 ZINC001170766995 971764094 /nfs/dbraw/zinc/76/40/94/971764094.db2.gz DWFYBDGRJPUGSY-ONEGZZNKSA-N 0 0 232.243 2.578 20 5 BFBDRN CCC=CNc1cc([N+](=O)[O-])c(C)cn1 ZINC001170767462 971767561 /nfs/dbraw/zinc/76/75/61/971767561.db2.gz ITASTCJYEUVOLS-SNAWJCMRSA-N 0 0 207.233 2.634 20 5 BFBDRN 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O=[N+]([O-])c1cccc(F)c1OC/C=C\Cl ZINC000588471741 958705626 /nfs/dbraw/zinc/70/56/26/958705626.db2.gz IRNXBSVIOAMIDH-DJWKRKHSSA-N 0 0 231.610 2.865 20 5 BFBDRN O=[N+]([O-])c1cccnc1NC[C@]12C[C@H]1CCC2 ZINC000693622314 959016220 /nfs/dbraw/zinc/01/62/20/959016220.db2.gz QFVYQFIWBVTTNQ-SKDRFNHKSA-N 0 0 233.271 2.592 20 5 BFBDRN CC(=O)CNc1ccc([N+](=O)[O-])c2ccccc12 ZINC001167630411 959129156 /nfs/dbraw/zinc/12/91/56/959129156.db2.gz ZLFAGYGZJPZRGX-UHFFFAOYSA-N 0 0 244.250 2.749 20 5 BFBDRN C[C@@H](OCc1cnoc1)c1ccccc1[N+](=O)[O-] ZINC001222378511 972449262 /nfs/dbraw/zinc/44/92/62/972449262.db2.gz YJAZSOOHJBQDFT-SECBINFHSA-N 0 0 248.238 2.861 20 5 BFBDRN CC[C@H](C)[C@@H](C)Oc1ncccc1[N+](=O)[O-] ZINC001225593152 962353114 /nfs/dbraw/zinc/35/31/14/962353114.db2.gz KYNVXLMTEYVSLY-DTWKUNHWSA-N 0 0 224.260 2.803 20 5 BFBDRN CC[C@@H](C)[C@@H](C)Oc1ncccc1[N+](=O)[O-] ZINC001225593157 962356658 /nfs/dbraw/zinc/35/66/58/962356658.db2.gz KYNVXLMTEYVSLY-RKDXNWHRSA-N 0 0 224.260 2.803 20 5 BFBDRN 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CC[C@@H](C)Nc1ncc2cccc([N+](=O)[O-])c2n1 ZINC001167997975 963198846 /nfs/dbraw/zinc/19/88/46/963198846.db2.gz CNQUCVIHVYHMKN-MRVPVSSYSA-N 0 0 246.270 2.748 20 5 BFBDRN CC[C@@H](C)Nc1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC001167998567 963208360 /nfs/dbraw/zinc/20/83/60/963208360.db2.gz DFGYUMOSAWLHDW-SSDOTTSWSA-N 0 0 242.250 2.953 20 5 BFBDRN CC[C@H](C)Nc1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC001167998574 963208567 /nfs/dbraw/zinc/20/85/67/963208567.db2.gz DFGYUMOSAWLHDW-ZETCQYMHSA-N 0 0 242.250 2.953 20 5 BFBDRN Cc1c(C)c(NC2(C)CCC2)ncc1[N+](=O)[O-] ZINC001156073932 963250979 /nfs/dbraw/zinc/25/09/79/963250979.db2.gz RKNHALYRVOKXTR-UHFFFAOYSA-N 0 0 235.287 2.961 20 5 BFBDRN Cc1cc(O[C@@H](C)c2ccccc2[N+](=O)[O-])n[nH]1 ZINC001226662745 963281763 /nfs/dbraw/zinc/28/17/63/963281763.db2.gz JPSKGQQTPFHAJJ-VIFPVBQESA-N 0 0 247.254 2.766 20 5 BFBDRN Cc1cc([N+](=O)[O-])cnc1O[C@@H]1CC[C@H](C)C1 ZINC001226761777 963334999 /nfs/dbraw/zinc/33/49/99/963334999.db2.gz MQGKWJVSINPYKV-GZMMTYOYSA-N 0 0 236.271 2.866 20 5 BFBDRN C[C@H](Oc1cccc([N+](=O)[O-])c1)c1ncccn1 ZINC001226764906 963338091 /nfs/dbraw/zinc/33/80/91/963338091.db2.gz OIZRZXCQHLXSHN-VIFPVBQESA-N 0 0 245.238 2.525 20 5 BFBDRN CCCN(C)c1nc(C)cc(Cl)c1[N+](=O)[O-] ZINC001156874417 963476230 /nfs/dbraw/zinc/47/62/30/963476230.db2.gz PJZDJXYDPIBLNQ-UHFFFAOYSA-N 0 0 243.694 2.798 20 5 BFBDRN Cc1ccc(CO[C@H](C[N+](=O)[O-])C2CC2)cc1 ZINC001204686260 963627080 /nfs/dbraw/zinc/62/70/80/963627080.db2.gz FLOBYEBODQRJQP-CYBMUJFWSA-N 0 0 235.283 2.567 20 5 BFBDRN N#CNc1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001157824749 963738949 /nfs/dbraw/zinc/73/89/49/963738949.db2.gz UEGLQOIPLQNJDF-UHFFFAOYSA-N 0 0 248.629 2.689 20 5 BFBDRN C[C@H](Nc1cccc([N+](=O)[O-])n1)C(C)(C)C ZINC001157872185 963753371 /nfs/dbraw/zinc/75/33/71/963753371.db2.gz PWCWKDVFRSUQCB-QMMMGPOBSA-N 0 0 223.276 2.836 20 5 BFBDRN Cc1ncc([N+](=O)[O-])cc1Nc1cccc(N)c1 ZINC001159469749 964104867 /nfs/dbraw/zinc/10/48/67/964104867.db2.gz MXQHJKLGJJRVGD-UHFFFAOYSA-N 0 0 244.254 2.624 20 5 BFBDRN 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976545742 /nfs/dbraw/zinc/54/57/42/976545742.db2.gz HQYLIAXDURDDHN-MRVPVSSYSA-N 0 0 210.233 2.557 20 5 BFBDRN CC[C@H](Oc1cnccc1[N+](=O)[O-])C(C)C ZINC001228882381 976550069 /nfs/dbraw/zinc/55/00/69/976550069.db2.gz MTWXOGRTMDUGMM-JTQLQIEISA-N 0 0 224.260 2.803 20 5 BFBDRN CCC(=O)c1cc([N+](=O)[O-])ccc1OC1CC1 ZINC001229178768 976787873 /nfs/dbraw/zinc/78/78/73/976787873.db2.gz BEMFNKLYCOQPMJ-UHFFFAOYSA-N 0 0 235.239 2.729 20 5 BFBDRN O=[N+]([O-])c1ccc(Nc2cncs2)cc1 ZINC001174475019 976789064 /nfs/dbraw/zinc/78/90/64/976789064.db2.gz BABKNWXRHDVTTI-UHFFFAOYSA-N 0 0 221.241 2.795 20 5 BFBDRN Cc1noc(Nc2ccc([N+](=O)[O-])cc2)c1C ZINC001174475803 976793203 /nfs/dbraw/zinc/79/32/03/976793203.db2.gz MTPFNOCVGVROBF-UHFFFAOYSA-N 0 0 233.227 2.943 20 5 BFBDRN COc1ncccc1Nc1ccc([N+](=O)[O-])cc1 ZINC001174475772 976794181 /nfs/dbraw/zinc/79/41/81/976794181.db2.gz LQDFVUXPXZYPLZ-UHFFFAOYSA-N 0 0 245.238 2.742 20 5 BFBDRN O=[N+]([O-])c1ccc(Nc2cccc(F)n2)cc1 ZINC001174475993 976794659 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977121121 /nfs/dbraw/zinc/12/11/21/977121121.db2.gz ZCVWESHSGNSWDI-JTQLQIEISA-N 0 0 239.271 2.707 20 5 BFBDRN C=Cc1ccc(O[C@H](C[N+](=O)[O-])C2CC2)cc1 ZINC001230448299 977214396 /nfs/dbraw/zinc/21/43/96/977214396.db2.gz LYDZELSTIHHHTP-CYBMUJFWSA-N 0 0 233.267 2.764 20 5 BFBDRN CC(=O)[C@@H](C)Oc1cc(C)c(C)c([N+](=O)[O-])c1 ZINC001230471557 977217538 /nfs/dbraw/zinc/21/75/38/977217538.db2.gz KKTYGIQWSYOTDA-SNVBAGLBSA-N 0 0 237.255 2.568 20 5 BFBDRN CC[C@H](C)Oc1cc2n[nH]cc2cc1[N+](=O)[O-] ZINC001230596616 977266149 /nfs/dbraw/zinc/26/61/49/977266149.db2.gz SLJDYGRRCDFYKW-ZETCQYMHSA-N 0 0 235.243 2.648 20 5 BFBDRN C[C@H](Oc1ccc(Cl)nc1[N+](=O)[O-])C1CC1 ZINC001230872598 977354267 /nfs/dbraw/zinc/35/42/67/977354267.db2.gz PPSZQDGASAEAJD-LURJTMIESA-N 0 0 242.662 2.821 20 5 BFBDRN Cc1cncnc1Nc1cc([N+](=O)[O-])ccc1F ZINC001175735125 977668497 /nfs/dbraw/zinc/66/84/97/977668497.db2.gz JDZIKLRNFCAXJK-UHFFFAOYSA-N 0 0 248.217 2.576 20 5 BFBDRN Cc1coc(Nc2cc([N+](=O)[O-])ccc2F)n1 ZINC001175735624 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Cc1cc(NCC2CCCC2)ncc1[N+](=O)[O-] ZINC000092026754 346751132 /nfs/dbraw/zinc/75/11/32/346751132.db2.gz JMRAWQWZNUXKKD-UHFFFAOYSA-N 0 0 235.287 2.900 20 5 BFBDRN Cc1cccc(OCC(C)C)c1[N+](=O)[O-] ZINC000124042664 179164088 /nfs/dbraw/zinc/16/40/88/179164088.db2.gz ODXTUWNAUNTCHQ-UHFFFAOYSA-N 0 0 209.245 2.938 20 5 BFBDRN Cc1cccc(OCCOC(C)C)c1[N+](=O)[O-] ZINC000123997399 179169440 /nfs/dbraw/zinc/16/94/40/179169440.db2.gz FFYURINKLWAPQT-UHFFFAOYSA-N 0 0 239.271 2.707 20 5 BFBDRN CCN(Cc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000185745960 347212263 /nfs/dbraw/zinc/21/22/63/347212263.db2.gz IHXUTNPWFCYFMG-UHFFFAOYSA-N 0 0 244.241 2.682 20 5 BFBDRN Cc1cccc([N+](=O)[O-])c1N[C@H]1CCSC1 ZINC000230919265 179206291 /nfs/dbraw/zinc/20/62/91/179206291.db2.gz QCOMARCIMCTWQB-VIFPVBQESA-N 0 0 238.312 2.821 20 5 BFBDRN Cc1cnc(C)nc1Oc1cccc([N+](=O)[O-])c1 ZINC000590570136 347473794 /nfs/dbraw/zinc/47/37/94/347473794.db2.gz XLNKZZCSWVLOEX-UHFFFAOYSA-N 0 0 245.238 2.794 20 5 BFBDRN Cc1nn([C@@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000590739429 347502217 /nfs/dbraw/zinc/50/22/17/347502217.db2.gz JBKJCPCQJDANTE-GFCCVEGCSA-N 0 0 243.266 2.635 20 5 BFBDRN Cc1nn([C@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000590739430 347502353 /nfs/dbraw/zinc/50/23/53/347502353.db2.gz JBKJCPCQJDANTE-LBPRGKRZSA-N 0 0 243.266 2.635 20 5 BFBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]1C ZINC000194776099 347579830 /nfs/dbraw/zinc/57/98/30/347579830.db2.gz MLYSWPQWHNZEHC-JTQLQIEISA-N 0 0 248.282 2.528 20 5 BFBDRN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])s2)CS1 ZINC000591192025 347628891 /nfs/dbraw/zinc/62/88/91/347628891.db2.gz CZGNZNPTBONDFN-RQJHMYQMSA-N 0 0 244.341 2.962 20 5 BFBDRN COCCCCN(C)c1ccc([N+](=O)[O-])s1 ZINC000591370785 347654727 /nfs/dbraw/zinc/65/47/27/347654727.db2.gz VXVJYXJUIHQJKI-UHFFFAOYSA-N 0 0 244.316 2.519 20 5 BFBDRN COCCCCN(C)c1sccc1[N+](=O)[O-] ZINC000591370748 347654808 /nfs/dbraw/zinc/65/48/08/347654808.db2.gz NNICLVIYNAHPNS-UHFFFAOYSA-N 0 0 244.316 2.519 20 5 BFBDRN O=[N+]([O-])c1ccsc1N[C@H]1CC12CC2 ZINC000591827499 347702511 /nfs/dbraw/zinc/70/25/11/347702511.db2.gz KYDVNBGQCWRQLX-ZETCQYMHSA-N 0 0 210.258 2.621 20 5 BFBDRN CC(C)CC[C@@H](C)Nc1c([N+](=O)[O-])ncn1C ZINC000048999992 323156456 /nfs/dbraw/zinc/15/64/56/323156456.db2.gz KDAPRSPLTQKMSQ-SECBINFHSA-N 0 0 240.307 2.565 20 5 BFBDRN O=[N+]([O-])c1cccnc1N1CCC12CCCC2 ZINC000593485500 347895712 /nfs/dbraw/zinc/89/57/12/347895712.db2.gz WNQJTXVMTKGVIZ-UHFFFAOYSA-N 0 0 233.271 2.513 20 5 BFBDRN CCCN(C)c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593456450 347899068 /nfs/dbraw/zinc/89/90/68/347899068.db2.gz APGFSLOXNOSFKZ-UHFFFAOYSA-N 0 0 245.282 2.989 20 5 BFBDRN Cc1cnc(N(C)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000361265002 187382714 /nfs/dbraw/zinc/38/27/14/187382714.db2.gz KVRMQXNHPJZQRX-UHFFFAOYSA-N 0 0 237.303 2.781 20 5 BFBDRN O=[N+]([O-])c1ncccc1OCCC1CCC1 ZINC000594881845 348119885 /nfs/dbraw/zinc/11/98/85/348119885.db2.gz OUMHBQZDPXYDCH-UHFFFAOYSA-N 0 0 222.244 2.559 20 5 BFBDRN C[C@H]1CSC[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000304520073 187387970 /nfs/dbraw/zinc/38/79/70/187387970.db2.gz PFKMHKWGGNEMJK-WCBMZHEXSA-N 0 0 238.312 2.758 20 5 BFBDRN CN(C(=O)/C=C\C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000493282532 259401214 /nfs/dbraw/zinc/40/12/14/259401214.db2.gz GJIDSOMJSKOGNR-WTKPLQERSA-N 0 0 246.266 2.524 20 5 BFBDRN Cc1cnc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000266185999 187397818 /nfs/dbraw/zinc/39/78/18/187397818.db2.gz DRVHJNPBRDWMGH-UHFFFAOYSA-N 0 0 235.287 2.679 20 5 BFBDRN CC(C)c1cccc(Cn2cnc([N+](=O)[O-])c2)c1 ZINC000596014394 348430103 /nfs/dbraw/zinc/43/01/03/348430103.db2.gz OXEFHNIDJMWPOM-UHFFFAOYSA-N 0 0 245.282 2.963 20 5 BFBDRN CC1(C)C[C@H](Oc2ccc([N+](=O)[O-])cc2)CO1 ZINC000596239502 348483921 /nfs/dbraw/zinc/48/39/21/348483921.db2.gz QXPODYZFTKSAFW-NSHDSACASA-N 0 0 237.255 2.541 20 5 BFBDRN CC(C)[C@H](C)Oc1ccc([N+](=O)[O-])c(CO)c1 ZINC000596272964 348493480 /nfs/dbraw/zinc/49/34/80/348493480.db2.gz ZMOUGVHGJPASID-VIFPVBQESA-N 0 0 239.271 2.510 20 5 BFBDRN Cc1ccnc(N[C@@H]2C[C@@H]2C2CC2)c1[N+](=O)[O-] ZINC000362376981 179457566 /nfs/dbraw/zinc/45/75/66/179457566.db2.gz WDLYHAALONYYFR-NXEZZACHSA-N 0 0 233.271 2.509 20 5 BFBDRN Cc1cc(N2CCC[C@@H]2C)c([N+](=O)[O-])s1 ZINC000596144775 348450753 /nfs/dbraw/zinc/45/07/53/348450753.db2.gz NHDZJKJQMOUAEU-ZETCQYMHSA-N 0 0 226.301 2.953 20 5 BFBDRN CC(C)=CCSc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596214697 348467657 /nfs/dbraw/zinc/46/76/57/348467657.db2.gz YBRPKYKDVWHGJF-UHFFFAOYSA-N 0 0 240.284 2.754 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N2CC[C@H]2C(F)F)c1 ZINC000596248487 348472449 /nfs/dbraw/zinc/47/24/49/348472449.db2.gz NESVAINJLMFRFF-VIFPVBQESA-N 0 0 242.225 2.747 20 5 BFBDRN Cc1cc(N2CC[C@@H]2C(F)F)c([N+](=O)[O-])s1 ZINC000596254784 348475296 /nfs/dbraw/zinc/47/52/96/348475296.db2.gz GLKDXOCSLVPPMF-ZCFIWIBFSA-N 0 0 248.254 2.809 20 5 BFBDRN C/C=C/CSCc1onc(C)c1[N+](=O)[O-] ZINC000596338957 348498765 /nfs/dbraw/zinc/49/87/65/348498765.db2.gz CISVZOGFVGRNSJ-ONEGZZNKSA-N 0 0 228.273 2.701 20 5 BFBDRN O=[N+]([O-])c1ccccc1N[C@@]12C[C@@H]1CCC2 ZINC000596316868 348505330 /nfs/dbraw/zinc/50/53/30/348505330.db2.gz NUZDDNUBDPJUHC-CABZTGNLSA-N 0 0 218.256 2.949 20 5 BFBDRN C[C@@H](O)CCSCc1cccc([N+](=O)[O-])c1 ZINC000596324669 348507636 /nfs/dbraw/zinc/50/76/36/348507636.db2.gz QHWOITTZUSXUSK-SECBINFHSA-N 0 0 241.312 2.599 20 5 BFBDRN CN(C[C@H]1CC1(C)C)c1ncc([N+](=O)[O-])s1 ZINC000596568814 348580902 /nfs/dbraw/zinc/58/09/02/348580902.db2.gz XALUKKKXPHBCSH-SSDOTTSWSA-N 0 0 241.316 2.534 20 5 BFBDRN Cc1c(NC(=O)CCCF)cccc1[N+](=O)[O-] ZINC000596630276 348597338 /nfs/dbraw/zinc/59/73/38/348597338.db2.gz IRQBAUJKLPQJTN-UHFFFAOYSA-N 0 0 240.234 2.591 20 5 BFBDRN CC1(C)C[C@]1(C)Nc1ccc([N+](=O)[O-])cn1 ZINC000596522940 348564215 /nfs/dbraw/zinc/56/42/15/348564215.db2.gz DNVSVUQQGADMID-NSHDSACASA-N 0 0 221.260 2.590 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3C[C@H]3C2)c1 ZINC000596509872 348572533 /nfs/dbraw/zinc/57/25/33/348572533.db2.gz JYXSBAFUHWERFL-QWRGUYRKSA-N 0 0 232.283 2.749 20 5 BFBDRN CC[C@H](NC(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000598233595 348916588 /nfs/dbraw/zinc/91/65/88/348916588.db2.gz RBHQIBKPUAAHCB-NSHDSACASA-N 0 0 248.282 2.513 20 5 BFBDRN Cc1cc(NC(=O)CCCF)ccc1[N+](=O)[O-] ZINC000598828184 349050999 /nfs/dbraw/zinc/05/09/99/349050999.db2.gz LOKDYOQHNGPZDQ-UHFFFAOYSA-N 0 0 240.234 2.591 20 5 BFBDRN O=[N+]([O-])c1cnccc1NCC[C@H]1CC=CCC1 ZINC000599156022 349107723 /nfs/dbraw/zinc/10/77/23/349107723.db2.gz QSIISHNHKWMNPC-NSHDSACASA-N 0 0 247.298 2.570 20 5 BFBDRN O=[N+]([O-])c1ccc(NCC[C@@H]2CC=CCC2)nc1 ZINC000599155874 349108084 /nfs/dbraw/zinc/10/80/84/349108084.db2.gz LZEOKRSUMNCNLA-LLVKDONJSA-N 0 0 247.298 2.570 20 5 BFBDRN CC1(C)OC[C@H]2C[C@]21Nc1ccccc1[N+](=O)[O-] ZINC000599140959 349098797 /nfs/dbraw/zinc/09/87/97/349098797.db2.gz BSWBEJZMGRSPKN-RNCFNFMXSA-N 0 0 248.282 2.574 20 5 BFBDRN O=[N+]([O-])c1ccsc1N[C@H]1CCCSC1 ZINC000308903324 349060631 /nfs/dbraw/zinc/06/06/31/349060631.db2.gz CRQCGMOTVQCSAS-ZETCQYMHSA-N 0 0 244.341 2.964 20 5 BFBDRN O=[N+]([O-])c1ccc(NCc2ccco2)s1 ZINC000308903083 349060673 /nfs/dbraw/zinc/06/06/73/349060673.db2.gz JUMPRXWXTWOKBR-UHFFFAOYSA-N 0 0 224.241 2.861 20 5 BFBDRN Cc1ccc(NC(=O)C23CC(C2)C3)cc1[N+](=O)[O-] ZINC000598954953 349066514 /nfs/dbraw/zinc/06/65/14/349066514.db2.gz WWYXHTIYRNPXTI-UHFFFAOYSA-N 0 0 246.266 2.642 20 5 BFBDRN C/C=C\CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000599170564 349111025 /nfs/dbraw/zinc/11/10/25/349111025.db2.gz BFCOSNIPRYFAME-IHWYPQMZSA-N 0 0 233.271 2.551 20 5 BFBDRN C/C=C\CNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000599171497 349111058 /nfs/dbraw/zinc/11/10/58/349111058.db2.gz IVAAHBLEBNZSSP-PLNGDYQASA-N 0 0 221.260 2.595 20 5 BFBDRN O=[N+]([O-])c1cnccc1N1CCCC2(CC2)CC1 ZINC000599193357 349114998 /nfs/dbraw/zinc/11/49/98/349114998.db2.gz XCIZFQITZPZPQU-UHFFFAOYSA-N 0 0 247.298 2.760 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@@H]2CO[C@H](C3CC3)C2)cc1 ZINC000599180581 349122555 /nfs/dbraw/zinc/12/25/55/349122555.db2.gz MBCYSAWMXJPFAS-AAEUAGOBSA-N 0 0 248.282 2.574 20 5 BFBDRN O=[N+]([O-])c1ccccc1N[C@H]1CO[C@@H](C2CC2)C1 ZINC000599181350 349122908 /nfs/dbraw/zinc/12/29/08/349122908.db2.gz RLXRTFYOUUYWCD-ZWNOBZJWSA-N 0 0 248.282 2.574 20 5 BFBDRN CC(C)CN(c1ncccc1[N+](=O)[O-])C1CC1 ZINC000264927379 349322283 /nfs/dbraw/zinc/32/22/83/349322283.db2.gz OOEDABZTEQCFIT-UHFFFAOYSA-N 0 0 235.287 2.615 20 5 BFBDRN CO[C@H](C)[C@@H](C)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000161195084 349407523 /nfs/dbraw/zinc/40/75/23/349407523.db2.gz MVUNDEQIVLAXNG-NXEZZACHSA-N 0 0 238.287 2.739 20 5 BFBDRN Cc1nc(N2CC[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000151005536 180003303 /nfs/dbraw/zinc/00/33/03/180003303.db2.gz LHFWZNDTWJYKOS-SCZZXKLOSA-N 0 0 235.287 2.533 20 5 BFBDRN Cc1nc(N2C[C@@H]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000268530718 180004076 /nfs/dbraw/zinc/00/40/76/180004076.db2.gz XEDCMIQZZAKJRL-QWRGUYRKSA-N 0 0 247.298 2.535 20 5 BFBDRN Cc1nc(N[C@@H]2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000133235765 180024566 /nfs/dbraw/zinc/02/45/66/180024566.db2.gz DXUQHFQFQPQRSI-WCBMZHEXSA-N 0 0 235.287 2.899 20 5 BFBDRN Cc1nc(N[C@H]2CCC[C@@H]2F)ccc1[N+](=O)[O-] ZINC000338826065 180025665 /nfs/dbraw/zinc/02/56/65/180025665.db2.gz ARGNTFQLBXBQOX-IUCAKERBSA-N 0 0 239.250 2.601 20 5 BFBDRN Cc1ncn(Cc2cc(F)ccc2[N+](=O)[O-])c1C ZINC000134591360 180287824 /nfs/dbraw/zinc/28/78/24/180287824.db2.gz MAWAWRLLDQQGTC-UHFFFAOYSA-N 0 0 249.245 2.596 20 5 BFBDRN Cc1ncsc1CNc1ccc([N+](=O)[O-])cc1 ZINC000071213199 180324508 /nfs/dbraw/zinc/32/45/08/180324508.db2.gz VNYMUXGOZKGYJL-UHFFFAOYSA-N 0 0 249.295 2.972 20 5 BFBDRN CC(C)[C@@]1(C)C[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000397275741 350403914 /nfs/dbraw/zinc/40/39/14/350403914.db2.gz GATZTEQAPGQAIW-ZYHUDNBSSA-N 0 0 235.287 2.836 20 5 BFBDRN Cc1nn(C)c(SC2CCCC2)c1[N+](=O)[O-] ZINC000078727404 180362053 /nfs/dbraw/zinc/36/20/53/180362053.db2.gz KVZKAZKKBXPBLY-UHFFFAOYSA-N 0 0 241.316 2.671 20 5 BFBDRN CO[C@@H](CNc1sccc1[N+](=O)[O-])C(C)C ZINC000309436444 350458290 /nfs/dbraw/zinc/45/82/90/350458290.db2.gz HJAVTEQYCFUCKZ-VIFPVBQESA-N 0 0 244.316 2.739 20 5 BFBDRN CNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000034604711 350472420 /nfs/dbraw/zinc/47/24/20/350472420.db2.gz WCAKVFVHSIZGSP-UHFFFAOYSA-N 0 0 220.150 2.655 20 5 BFBDRN Cc1nn([C@@H](C)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000294121303 180392187 /nfs/dbraw/zinc/39/21/87/180392187.db2.gz DTPDBMVGDXBDBB-VIFPVBQESA-N 0 0 249.245 2.848 20 5 BFBDRN Cc1nn(CCC(C)(C)C)cc1[N+](=O)[O-] ZINC000187206834 180387959 /nfs/dbraw/zinc/38/79/59/180387959.db2.gz GOOCZAHBOVKMRM-UHFFFAOYSA-N 0 0 211.265 2.536 20 5 BFBDRN CC(C)[C@@]1(C)C[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000397298885 350566279 /nfs/dbraw/zinc/56/62/79/350566279.db2.gz NWSLCPRPQBTYGN-ZYHUDNBSSA-N 0 0 235.287 2.836 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@H]2CCCOCC2)s1 ZINC000309498183 350614029 /nfs/dbraw/zinc/61/40/29/350614029.db2.gz KUISIGJEFGOHLX-QMMMGPOBSA-N 0 0 242.300 2.637 20 5 BFBDRN C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CC(F)F ZINC000343432481 350968901 /nfs/dbraw/zinc/96/89/01/350968901.db2.gz MAUABXYSNZLPIH-QMMMGPOBSA-N 0 0 244.241 2.853 20 5 BFBDRN CCc1ccc(Cn2c(C)ncc2[N+](=O)[O-])cc1 ZINC000343481100 350975192 /nfs/dbraw/zinc/97/51/92/350975192.db2.gz SSXMIQOQXFGDPY-UHFFFAOYSA-N 0 0 245.282 2.710 20 5 BFBDRN CC[C@@]1(C)CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000343554829 350977903 /nfs/dbraw/zinc/97/79/03/350977903.db2.gz RQDVUEIDWLARKY-LBPRGKRZSA-N 0 0 235.287 2.616 20 5 BFBDRN C[C@@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000052291009 350980575 /nfs/dbraw/zinc/98/05/75/350980575.db2.gz XHKUEQPZKYEWNC-KCJUWKMLSA-N 0 0 243.266 2.963 20 5 BFBDRN C[C@H]1C[C@H]1Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000052291017 350980716 /nfs/dbraw/zinc/98/07/16/350980716.db2.gz XHKUEQPZKYEWNC-GZMMTYOYSA-N 0 0 243.266 2.963 20 5 BFBDRN Cc1nocc1CNc1cc([N+](=O)[O-])ccc1C ZINC000397901427 350988437 /nfs/dbraw/zinc/98/84/37/350988437.db2.gz WUKHTWHCYUSCNP-UHFFFAOYSA-N 0 0 247.254 2.812 20 5 BFBDRN Cc1cccc([N+](=O)[O-])c1N[C@@H]1C[C@@H]1C(F)F ZINC000343789179 350996249 /nfs/dbraw/zinc/99/62/49/350996249.db2.gz RUGAKAAWLYPXAA-JGVFFNPUSA-N 0 0 242.225 2.969 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O=[N+]([O-])c1cccnc1N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403395308 351320736 /nfs/dbraw/zinc/32/07/36/351320736.db2.gz IDCVQAIOOAMDOD-OPRDCNLKSA-N 0 0 233.271 2.590 20 5 BFBDRN O=[N+]([O-])c1ncccc1N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403398863 351322916 /nfs/dbraw/zinc/32/29/16/351322916.db2.gz IRPKPSVQLHSGBT-OPRDCNLKSA-N 0 0 233.271 2.590 20 5 BFBDRN Cc1cc([N+](=O)[O-])cc(Cl)c1NCCF ZINC000309180136 187481071 /nfs/dbraw/zinc/48/10/71/187481071.db2.gz NNJAHHBDRPSTIJ-UHFFFAOYSA-N 0 0 232.642 2.938 20 5 BFBDRN CC(C)=CCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000191735848 187487560 /nfs/dbraw/zinc/48/75/60/187487560.db2.gz RSQLDONHBSYCEP-UHFFFAOYSA-N 0 0 248.282 2.599 20 5 BFBDRN CCc1cccc(Cn2c(C)ncc2[N+](=O)[O-])c1 ZINC000344651700 352584625 /nfs/dbraw/zinc/58/46/25/352584625.db2.gz ZRLLWGCCJDLUJH-UHFFFAOYSA-N 0 0 245.282 2.710 20 5 BFBDRN Cn1cnc([N+](=O)[O-])c1CSCC(C)(C)C ZINC000331312576 180772597 /nfs/dbraw/zinc/77/25/97/180772597.db2.gz VTKLLIQVNMMGLN-UHFFFAOYSA-N 0 0 243.332 2.608 20 5 BFBDRN 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BFBDRN Cc1ccoc1CNc1ncccc1[N+](=O)[O-] ZINC000336669736 384248409 /nfs/dbraw/zinc/24/84/09/384248409.db2.gz AQNLIBNGZCITTL-UHFFFAOYSA-N 0 0 233.227 2.503 20 5 BFBDRN CS[C@@H](C)CNc1c(F)cccc1[N+](=O)[O-] ZINC000286238570 384253443 /nfs/dbraw/zinc/25/34/43/384253443.db2.gz ONCKWEQBZBEKQN-ZETCQYMHSA-N 0 0 244.291 2.897 20 5 BFBDRN Cc1ccoc1CNc1ccc([N+](=O)[O-])cn1 ZINC000336713081 384255060 /nfs/dbraw/zinc/25/50/60/384255060.db2.gz ODPAISFVYDBQTL-UHFFFAOYSA-N 0 0 233.227 2.503 20 5 BFBDRN CC[C@H](CNc1c(C)cccc1[N+](=O)[O-])OC ZINC000336732912 384258379 /nfs/dbraw/zinc/25/83/79/384258379.db2.gz ZXBIUHKSFIPWEE-SNVBAGLBSA-N 0 0 238.287 2.740 20 5 BFBDRN CC[C@@H]1C[C@H]1Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000219357867 384341879 /nfs/dbraw/zinc/34/18/79/384341879.db2.gz BGETVPDZOAGVSA-GMSGAONNSA-N 0 0 246.270 2.682 20 5 BFBDRN COCC[C@H](C)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000045038773 384372418 /nfs/dbraw/zinc/37/24/18/384372418.db2.gz GHAIJMABBKZTIR-JTQLQIEISA-N 0 0 238.287 2.740 20 5 BFBDRN O=[N+]([O-])c1cn(C[C@H]2C[C@H]2c2ccccc2)cn1 ZINC000359159262 384378860 /nfs/dbraw/zinc/37/88/60/384378860.db2.gz JWKSSTBGBPLLNQ-NEPJUHHUSA-N 0 0 243.266 2.595 20 5 BFBDRN O=C1CCC(COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000285149583 384383071 /nfs/dbraw/zinc/38/30/71/384383071.db2.gz FXICBBNRXXQLBW-UHFFFAOYSA-N 0 0 249.266 2.733 20 5 BFBDRN CC[C@@H](F)CNc1cccc([N+](=O)[O-])c1 ZINC000309211683 384463058 /nfs/dbraw/zinc/46/30/58/384463058.db2.gz SVONCEHNDOLKSK-MRVPVSSYSA-N 0 0 212.224 2.755 20 5 BFBDRN O=[N+]([O-])c1ccc(NCCC2=CCCC2)nc1 ZINC000157450165 384467337 /nfs/dbraw/zinc/46/73/37/384467337.db2.gz ZKJNAFGJCPOSTM-UHFFFAOYSA-N 0 0 233.271 2.902 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[C@@H]2C)n1 ZINC000309236843 384479609 /nfs/dbraw/zinc/47/96/09/384479609.db2.gz VJXDYBFTIQYXKE-IONNQARKSA-N 0 0 221.260 2.509 20 5 BFBDRN CC1(C)CC[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000309255116 384484360 /nfs/dbraw/zinc/48/43/60/384484360.db2.gz CDXVXKZCMKEDNG-SECBINFHSA-N 0 0 221.260 2.590 20 5 BFBDRN CC(=O)c1cc([N+](=O)[O-])ccc1OCC(C)C ZINC000061570109 384503985 /nfs/dbraw/zinc/50/39/85/384503985.db2.gz LAWDSEJPIPGMDQ-UHFFFAOYSA-N 0 0 237.255 2.832 20 5 BFBDRN O=[N+]([O-])c1ccccc1N[C@@H]1CCCSC1 ZINC000061577170 384507979 /nfs/dbraw/zinc/50/79/79/384507979.db2.gz QURGBURYTDBMQI-SECBINFHSA-N 0 0 238.312 2.902 20 5 BFBDRN CC[C@H](CSC)Nc1ncccc1[N+](=O)[O-] ZINC000162141052 384577711 /nfs/dbraw/zinc/57/77/11/384577711.db2.gz UIEJOZPKVMZZJA-MRVPVSSYSA-N 0 0 241.316 2.543 20 5 BFBDRN CCCCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000086002045 384585938 /nfs/dbraw/zinc/58/59/38/384585938.db2.gz BDVGPUHLWISPDS-UHFFFAOYSA-N 0 0 209.249 2.510 20 5 BFBDRN Cc1c(OCC(F)F)cccc1[N+](=O)[O-] ZINC000180435770 384597887 /nfs/dbraw/zinc/59/78/87/384597887.db2.gz KSUHOPMKXWCGSA-UHFFFAOYSA-N 0 0 217.171 2.547 20 5 BFBDRN O=[N+]([O-])c1cccc(Cl)c1NCCF ZINC000293134218 384641460 /nfs/dbraw/zinc/64/14/60/384641460.db2.gz QUEFSDFADDSUMH-UHFFFAOYSA-N 0 0 218.615 2.630 20 5 BFBDRN Cn1cncc1CSc1cccc([N+](=O)[O-])c1 ZINC000337744512 384675975 /nfs/dbraw/zinc/67/59/75/384675975.db2.gz FOIMPLKZNWHJKA-UHFFFAOYSA-N 0 0 249.295 2.621 20 5 BFBDRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1C[C@@H]1C1CC1 ZINC000176547645 384677349 /nfs/dbraw/zinc/67/73/49/384677349.db2.gz YLMCDZLFPGHHDQ-NEPJUHHUSA-N 0 0 246.266 2.579 20 5 BFBDRN CCOC[C@H](C)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000044416434 384682981 /nfs/dbraw/zinc/68/29/81/384682981.db2.gz PBKVPNQSLXHBSE-JTQLQIEISA-N 0 0 238.287 2.740 20 5 BFBDRN CCC1(CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178200062 384696801 /nfs/dbraw/zinc/69/68/01/384696801.db2.gz TZNNZUWJPBPJNB-UHFFFAOYSA-N 0 0 248.282 2.515 20 5 BFBDRN CCC1(CNc2ccncc2[N+](=O)[O-])CCC1 ZINC000084489329 384722805 /nfs/dbraw/zinc/72/28/05/384722805.db2.gz LVQXCYUBBFAHRF-UHFFFAOYSA-N 0 0 235.287 2.982 20 5 BFBDRN CC(C)CC1(CNc2ccncc2[N+](=O)[O-])CC1 ZINC000361043744 384793791 /nfs/dbraw/zinc/79/37/91/384793791.db2.gz QDQJMXAJVIPJNN-UHFFFAOYSA-N 0 0 249.314 2.650 20 5 BFBDRN Cc1cccc(COc2cccc([N+](=O)[O-])c2)n1 ZINC000204438207 384793918 /nfs/dbraw/zinc/79/39/18/384793918.db2.gz JUMBUWIKAVZSOJ-UHFFFAOYSA-N 0 0 244.250 2.877 20 5 BFBDRN CC(C)CSCCCn1nccc1[N+](=O)[O-] ZINC000119167823 384851465 /nfs/dbraw/zinc/85/14/65/384851465.db2.gz PDQUVSHOTGTIGC-UHFFFAOYSA-N 0 0 243.332 2.571 20 5 BFBDRN C[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000148464431 384890186 /nfs/dbraw/zinc/89/01/86/384890186.db2.gz OYZWLEMYBRATPK-ZCFIWIBFSA-N 0 0 241.678 2.854 20 5 BFBDRN CO[C@@H](C)CSCc1ccc([N+](=O)[O-])cc1 ZINC000181038814 384891366 /nfs/dbraw/zinc/89/13/66/384891366.db2.gz GLRUGDIPHMNBFZ-VIFPVBQESA-N 0 0 241.312 2.863 20 5 BFBDRN Cc1ncn(Cc2cccc([N+](=O)[O-])c2C)c1C ZINC000106440345 384915756 /nfs/dbraw/zinc/91/57/56/384915756.db2.gz XGSFVPXWGNUSRY-UHFFFAOYSA-N 0 0 245.282 2.765 20 5 BFBDRN Cc1ccnc(NCCC2CC2)c1[N+](=O)[O-] ZINC000083911095 384923738 /nfs/dbraw/zinc/92/37/38/384923738.db2.gz HEMAQQQOXPGDIU-UHFFFAOYSA-N 0 0 221.260 2.510 20 5 BFBDRN O=[N+]([O-])c1ccccc1N[C@H]1C[C@H]1C1CC1 ZINC000309529822 384931260 /nfs/dbraw/zinc/93/12/60/384931260.db2.gz VRGHJLDGUJUJEI-ONGXEEELSA-N 0 0 218.256 2.805 20 5 BFBDRN Cc1cccc(NC[C@H]2C[C@H]2C)c1[N+](=O)[O-] ZINC000227536927 384968987 /nfs/dbraw/zinc/96/89/87/384968987.db2.gz GWMSLCTVSJPUFI-NXEZZACHSA-N 0 0 220.272 2.971 20 5 BFBDRN CC[C@@H]1C[C@H]1C(=O)N(C)c1cccc([N+](=O)[O-])c1 ZINC000410615412 385056203 /nfs/dbraw/zinc/05/62/03/385056203.db2.gz PMMNQRCRJWNKLB-BXKDBHETSA-N 0 0 248.282 2.604 20 5 BFBDRN O=[N+]([O-])c1cccnc1N1CCC[C@H]1C1CCC1 ZINC000264035533 385199129 /nfs/dbraw/zinc/19/91/29/385199129.db2.gz UAZQNGSQOBEEDZ-NSHDSACASA-N 0 0 247.298 2.759 20 5 BFBDRN CO[C@H](C)CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000263792176 385143694 /nfs/dbraw/zinc/14/36/94/385143694.db2.gz JYRCXBDWCWJUAF-MRVPVSSYSA-N 0 0 242.250 2.571 20 5 BFBDRN CC(C)(C)c1noc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000109522384 385171539 /nfs/dbraw/zinc/17/15/39/385171539.db2.gz NONPDDPDQNXTTB-UHFFFAOYSA-N 0 0 247.254 2.942 20 5 BFBDRN Cc1cnc(N[C@H](C)C(C)C)c([N+](=O)[O-])c1 ZINC000085426831 385177672 /nfs/dbraw/zinc/17/76/72/385177672.db2.gz SRSSDGJYRLDLPV-SECBINFHSA-N 0 0 223.276 2.755 20 5 BFBDRN CCC1(Nc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000294856926 385267999 /nfs/dbraw/zinc/26/79/99/385267999.db2.gz ACHPGBUWSOAYTI-UHFFFAOYSA-N 0 0 221.260 2.653 20 5 BFBDRN CC(C)(C(=O)Oc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000288160439 385277225 /nfs/dbraw/zinc/27/72/25/385277225.db2.gz PGGSJFYXBMYFQP-UHFFFAOYSA-N 0 0 249.266 2.936 20 5 BFBDRN CC/C=C\CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000452610896 385340769 /nfs/dbraw/zinc/34/07/69/385340769.db2.gz HGLXOLSFWDITFS-PLNGDYQASA-N 0 0 248.282 2.599 20 5 BFBDRN CCCCCCn1cc([N+](=O)[O-])c(C)cc1=O ZINC000128406706 385480404 /nfs/dbraw/zinc/48/04/04/385480404.db2.gz ZPFWTWHGFIOXJP-UHFFFAOYSA-N 0 0 238.287 2.645 20 5 BFBDRN CC[C@@H](CNc1ccc([N+](=O)[O-])cc1C)OC ZINC000290696312 385547467 /nfs/dbraw/zinc/54/74/67/385547467.db2.gz MYKTUGZMVUQPJF-NSHDSACASA-N 0 0 238.287 2.740 20 5 BFBDRN CC(C)[C@@]1(C)C[C@H]1Nc1ncc([N+](=O)[O-])s1 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385821852 /nfs/dbraw/zinc/82/18/52/385821852.db2.gz AMNGHPGEMCUWFO-UHFFFAOYSA-N 0 0 249.295 2.584 20 5 BFBDRN Cc1nc(N2CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000150828428 385832300 /nfs/dbraw/zinc/83/23/00/385832300.db2.gz VDXJPJPKJLRNKF-UHFFFAOYSA-N 0 0 249.314 2.925 20 5 BFBDRN Cc1n[nH]cc1Nc1c(F)cccc1[N+](=O)[O-] ZINC000341930020 385840125 /nfs/dbraw/zinc/84/01/25/385840125.db2.gz OWBIKDORFXGARH-UHFFFAOYSA-N 0 0 236.206 2.509 20 5 BFBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1ccon1 ZINC000341925090 385840960 /nfs/dbraw/zinc/84/09/60/385840960.db2.gz GPYWANDXVUPLFZ-MRVPVSSYSA-N 0 0 233.227 2.756 20 5 BFBDRN COc1ccc(OCCCCF)cc1[N+](=O)[O-] ZINC000285305827 385913000 /nfs/dbraw/zinc/91/30/00/385913000.db2.gz WLXFMKQUITVHLQ-UHFFFAOYSA-N 0 0 243.234 2.732 20 5 BFBDRN CC[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000182402454 385865605 /nfs/dbraw/zinc/86/56/05/385865605.db2.gz MYRVNJXLSURQPK-MRVPVSSYSA-N 0 0 236.271 2.888 20 5 BFBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C1CCC1 ZINC000291367386 385866158 /nfs/dbraw/zinc/86/61/58/385866158.db2.gz CMVIAQIVJJTOKS-UHFFFAOYSA-N 0 0 248.282 2.896 20 5 BFBDRN O=[N+]([O-])c1ccc(NCCC2CCC2)nc1 ZINC000130321409 386152048 /nfs/dbraw/zinc/15/20/48/386152048.db2.gz RIABYYUTESNPFP-UHFFFAOYSA-N 0 0 221.260 2.592 20 5 BFBDRN O=[N+]([O-])c1cccnc1SCC1CCC1 ZINC000266254238 386205343 /nfs/dbraw/zinc/20/53/43/386205343.db2.gz QXXWMOANCGUGKN-UHFFFAOYSA-N 0 0 224.285 2.882 20 5 BFBDRN CC(C)(C)CCCn1cnc([N+](=O)[O-])c1 ZINC000275528642 386219468 /nfs/dbraw/zinc/21/94/68/386219468.db2.gz BMVAUVOWPRVWSH-UHFFFAOYSA-N 0 0 211.265 2.618 20 5 BFBDRN Cc1ccc(Oc2ncc([N+](=O)[O-])s2)cn1 ZINC000190321695 386368759 /nfs/dbraw/zinc/36/87/59/386368759.db2.gz NDEAAMZPJGYOSE-UHFFFAOYSA-N 0 0 237.240 2.547 20 5 BFBDRN Cc1n[nH]c(C)c1/C=C\c1ccc([N+](=O)[O-])cn1 ZINC000439519680 386475642 /nfs/dbraw/zinc/47/56/42/386475642.db2.gz UMDRVYJCXMRGPS-XQRVVYSFSA-N 0 0 244.254 2.500 20 5 BFBDRN C[C@@H](N(C)c1ccc([N+](=O)[O-])cn1)C1(C)CC1 ZINC000267728879 386510640 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/nfs/dbraw/zinc/99/12/74/386991274.db2.gz HNGTXZMQBRXDGU-UHFFFAOYSA-N 0 0 224.235 2.723 20 5 BFBDRN CCC[C@@H]1C[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000267625153 387025524 /nfs/dbraw/zinc/02/55/24/387025524.db2.gz OOHIQHWOHZUCMY-MWLCHTKSSA-N 0 0 248.282 2.513 20 5 BFBDRN CCCCCSc1ncc([N+](=O)[O-])c(C)n1 ZINC000295037603 387102056 /nfs/dbraw/zinc/10/20/56/387102056.db2.gz NPULCJOMSMQWPS-UHFFFAOYSA-N 0 0 241.316 2.976 20 5 BFBDRN CC/C=C\CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000456102710 387199050 /nfs/dbraw/zinc/19/90/50/387199050.db2.gz RNHAHGMTQKOIAN-PLNGDYQASA-N 0 0 248.282 2.599 20 5 BFBDRN O=[N+]([O-])c1cccnc1N[C@@H](C1CC1)C1CCC1 ZINC000324880498 387296111 /nfs/dbraw/zinc/29/61/11/387296111.db2.gz KOORLHPKOZQJGK-GFCCVEGCSA-N 0 0 247.298 2.980 20 5 BFBDRN C[C@H](N(C)c1ncc([N+](=O)[O-])s1)C1(C)CC1 ZINC000192482271 387376418 /nfs/dbraw/zinc/37/64/18/387376418.db2.gz NALAWXJOGNCMFG-ZETCQYMHSA-N 0 0 241.316 2.676 20 5 BFBDRN CC[C@@H](F)COc1cccc([N+](=O)[O-])c1 ZINC000440576134 387345306 /nfs/dbraw/zinc/34/53/06/387345306.db2.gz IHVRDRILMKHKIV-MRVPVSSYSA-N 0 0 213.208 2.722 20 5 BFBDRN C[C@H](CC(C)(C)O)Nc1ccc([N+](=O)[O-])cc1 ZINC000294908303 387401009 /nfs/dbraw/zinc/40/10/09/387401009.db2.gz FLBUVYJOCCASFH-SECBINFHSA-N 0 0 238.287 2.556 20 5 BFBDRN CC/C=C/CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000295962762 387518890 /nfs/dbraw/zinc/51/88/90/387518890.db2.gz NGCYQUIRYYXYSP-SNAWJCMRSA-N 0 0 248.282 2.599 20 5 BFBDRN Cc1cc(NC(=O)[C@@H]2CC2(C)C)ccc1[N+](=O)[O-] ZINC000347181072 387522288 /nfs/dbraw/zinc/52/22/88/387522288.db2.gz JUCITBFPYXWHFD-JTQLQIEISA-N 0 0 248.282 2.888 20 5 BFBDRN CCCC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000075282640 387533649 /nfs/dbraw/zinc/53/36/49/387533649.db2.gz WEZMROPHBVVBDN-UHFFFAOYSA-N 0 0 222.244 2.642 20 5 BFBDRN CC1(C)C[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000130058816 387490353 /nfs/dbraw/zinc/49/03/53/387490353.db2.gz UXASDWZOFFKYCB-JTQLQIEISA-N 0 0 234.255 2.579 20 5 BFBDRN CCC1(Nc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000296328008 387799028 /nfs/dbraw/zinc/79/90/28/387799028.db2.gz PAZXXMUGAOORJE-UHFFFAOYSA-N 0 0 241.678 2.998 20 5 BFBDRN CC(C)=CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000191776337 387986693 /nfs/dbraw/zinc/98/66/93/387986693.db2.gz JLDNYYRVVJITGZ-UHFFFAOYSA-N 0 0 248.282 2.599 20 5 BFBDRN CC/C=C/CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000296998656 388010456 /nfs/dbraw/zinc/01/04/56/388010456.db2.gz RNHAHGMTQKOIAN-SNAWJCMRSA-N 0 0 248.282 2.599 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(NCc2nccs2)c1 ZINC000084726419 388080418 /nfs/dbraw/zinc/08/04/18/388080418.db2.gz DXYFINFIVAMIQO-UHFFFAOYSA-N 0 0 249.295 2.972 20 5 BFBDRN C[C@H]1SCC[C@@H]1Nc1sccc1[N+](=O)[O-] ZINC000592000646 388145928 /nfs/dbraw/zinc/14/59/28/388145928.db2.gz ATOJHGVDNBZHNU-RQJHMYQMSA-N 0 0 244.341 2.962 20 5 BFBDRN C[C@@H]1SCC[C@H]1Nc1ccc([N+](=O)[O-])s1 ZINC000592003191 388145974 /nfs/dbraw/zinc/14/59/74/388145974.db2.gz WTUORKHEGGHUKV-NKWVEPMBSA-N 0 0 244.341 2.962 20 5 BFBDRN CC(C)C[C@@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000037265102 388243275 /nfs/dbraw/zinc/24/32/75/388243275.db2.gz DMTKONILOTUQDR-SECBINFHSA-N 0 0 223.276 2.836 20 5 BFBDRN Nc1ccc([N+](=O)[O-])c(NC[C@@H]2CC=CCC2)c1 ZINC000193396026 388345804 /nfs/dbraw/zinc/34/58/04/388345804.db2.gz WRGLACPRVCFYFU-SNVBAGLBSA-N 0 0 247.298 2.945 20 5 BFBDRN C/C=C/C=C\C(=O)N(C)c1cccc([N+](=O)[O-])c1 ZINC000492199456 388353363 /nfs/dbraw/zinc/35/33/63/388353363.db2.gz VOQRSMRWHAXUMM-BEHOXYOFSA-N 0 0 246.266 2.690 20 5 BFBDRN O=C(/C=C\C1CCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000492067705 388353475 /nfs/dbraw/zinc/35/34/75/388353475.db2.gz MRIXYQYXVOHUAM-WTKPLQERSA-N 0 0 246.266 2.890 20 5 BFBDRN CC(C)(C)OCCNc1ccc([N+](=O)[O-])cc1 ZINC000308528744 388361752 /nfs/dbraw/zinc/36/17/52/388361752.db2.gz LSHBZVLUIRASNH-UHFFFAOYSA-N 0 0 238.287 2.822 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCO[C@H]2C2CC2)cc1 ZINC000230308529 388365811 /nfs/dbraw/zinc/36/58/11/388365811.db2.gz OXPLLRBSCPIIMB-OLZOCXBDSA-N 0 0 248.282 2.574 20 5 BFBDRN CC(C)=CCNc1cc(N)ccc1[N+](=O)[O-] ZINC000193526378 388366415 /nfs/dbraw/zinc/36/64/15/388366415.db2.gz ZMMUZOKIKRBPCR-UHFFFAOYSA-N 0 0 221.260 2.555 20 5 BFBDRN C/C(=C\c1ccc([N+](=O)[O-])cc1)c1cnccn1 ZINC000354321216 388379081 /nfs/dbraw/zinc/37/90/81/388379081.db2.gz DTTLPILWIUHSMM-CSKARUKUSA-N 0 0 241.250 2.945 20 5 BFBDRN CC(=O)c1cc(N2CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000228258065 388380892 /nfs/dbraw/zinc/38/08/92/388380892.db2.gz PQYYAULLAGFPIM-SECBINFHSA-N 0 0 248.282 2.786 20 5 BFBDRN Cc1ccnc(N[C@H]2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000133217564 388381039 /nfs/dbraw/zinc/38/10/39/388381039.db2.gz MMSVGXOQWADICF-WPRPVWTQSA-N 0 0 235.287 2.899 20 5 BFBDRN Cc1ccc(NC(=O)C[C@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000354987803 388383663 /nfs/dbraw/zinc/38/36/63/388383663.db2.gz ITNSBUOPAPXZQN-NXEZZACHSA-N 0 0 248.282 2.888 20 5 BFBDRN Cc1c(NC(=O)C[C@H]2C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000355026024 388383869 /nfs/dbraw/zinc/38/38/69/388383869.db2.gz LBKDGBOEKPFINA-WCBMZHEXSA-N 0 0 248.282 2.888 20 5 BFBDRN C[C@H](NC(=O)CC1CC1)c1ccccc1[N+](=O)[O-] ZINC000271813125 388406237 /nfs/dbraw/zinc/40/62/37/388406237.db2.gz UPWFMEIRBUKRNC-VIFPVBQESA-N 0 0 248.282 2.572 20 5 BFBDRN C[C@@H](C1CCC1)N(C)c1ccc([N+](=O)[O-])cn1 ZINC000356789797 388390613 /nfs/dbraw/zinc/39/06/13/388390613.db2.gz GGPFHWPNXYZZCG-VIFPVBQESA-N 0 0 235.287 2.615 20 5 BFBDRN COc1cc(N2CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000172811414 388411525 /nfs/dbraw/zinc/41/15/25/388411525.db2.gz MOLYVEOMZZJQHU-SECBINFHSA-N 0 0 236.271 2.592 20 5 BFBDRN CN(CCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000301089493 388411929 /nfs/dbraw/zinc/41/19/29/388411929.db2.gz KUCAUDXOEIDSBR-UHFFFAOYSA-N 0 0 248.204 2.983 20 5 BFBDRN CC(C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000443996180 388424710 /nfs/dbraw/zinc/42/47/10/388424710.db2.gz IXFOTNGIJVBQRY-LLVKDONJSA-N 0 0 249.314 2.862 20 5 BFBDRN CC[C@@H](C)N(C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000330472274 388588691 /nfs/dbraw/zinc/58/86/91/388588691.db2.gz GEFIJNGKEKLQGZ-SSDOTTSWSA-N 0 0 242.300 2.527 20 5 BFBDRN CSCCN(C)c1ccc([N+](=O)[O-])c(C)c1 ZINC000301585629 388596280 /nfs/dbraw/zinc/59/62/80/388596280.db2.gz VWLUDCRORRXJJD-UHFFFAOYSA-N 0 0 240.328 2.702 20 5 BFBDRN O=[N+]([O-])c1ccc(N(CC2CC2)CC2CC2)nc1 ZINC000301272924 388575197 /nfs/dbraw/zinc/57/51/97/388575197.db2.gz IBIOYNRIUGHBSI-UHFFFAOYSA-N 0 0 247.298 2.616 20 5 BFBDRN CN(c1ccc([N+](=O)[O-])cc1F)C1CCC1 ZINC000301380521 388579584 /nfs/dbraw/zinc/57/95/84/388579584.db2.gz YPGYDVWNWHNPSI-UHFFFAOYSA-N 0 0 224.235 2.723 20 5 BFBDRN Cc1nc(C)c(CNc2ccc([N+](=O)[O-])cc2)o1 ZINC000311886780 388676387 /nfs/dbraw/zinc/67/63/87/388676387.db2.gz XPISAHGLUDQBKF-UHFFFAOYSA-N 0 0 247.254 2.812 20 5 BFBDRN C[C@H](N(C)c1ncccc1[N+](=O)[O-])C(C)(C)C ZINC000523659147 388677452 /nfs/dbraw/zinc/67/74/52/388677452.db2.gz ZKAQJCCFMBJPEP-VIFPVBQESA-N 0 0 237.303 2.861 20 5 BFBDRN Cc1c(OC(=O)CC2CC2)cccc1[N+](=O)[O-] ZINC000298741035 388641817 /nfs/dbraw/zinc/64/18/17/388641817.db2.gz XUXYHXDJWCQHRE-UHFFFAOYSA-N 0 0 235.239 2.609 20 5 BFBDRN CC(C)(C)CCCn1ccc(=O)c([N+](=O)[O-])c1 ZINC000275591334 388734699 /nfs/dbraw/zinc/73/46/99/388734699.db2.gz CRUVSBGRKMYXEJ-UHFFFAOYSA-N 0 0 238.287 2.583 20 5 BFBDRN CC(F)(F)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000277375925 388747177 /nfs/dbraw/zinc/74/71/77/388747177.db2.gz CKVRLIWEQZAQSL-UHFFFAOYSA-N 0 0 244.197 2.579 20 5 BFBDRN CC1(C)C[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000299074965 388687919 /nfs/dbraw/zinc/68/79/19/388687919.db2.gz WAYLTXDKKHWKND-JTQLQIEISA-N 0 0 249.270 2.515 20 5 BFBDRN O=[N+]([O-])c1ccc(OCc2ccccn2)cc1F ZINC000079162638 388694146 /nfs/dbraw/zinc/69/41/46/388694146.db2.gz HCQZQPNSZFXGGO-UHFFFAOYSA-N 0 0 248.213 2.708 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CC(C3CCCC3)C2)nc1 ZINC000373682641 388711073 /nfs/dbraw/zinc/71/10/73/388711073.db2.gz NVTNEROGAFASNF-UHFFFAOYSA-N 0 0 247.298 2.616 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N2[C@H](C)C[C@H]2C)c1 ZINC000530379009 388713614 /nfs/dbraw/zinc/71/36/14/388713614.db2.gz UTHAWMOJUUTEOI-NXEZZACHSA-N 0 0 220.272 2.890 20 5 BFBDRN O=[N+]([O-])c1ccsc1NCCc1ccccn1 ZINC000301943139 388717175 /nfs/dbraw/zinc/71/71/75/388717175.db2.gz YBWNHYSGDKFNAR-UHFFFAOYSA-N 0 0 249.295 2.706 20 5 BFBDRN C[C@@H]1CC[C@@H](C)N1C(=O)c1ccccc1[N+](=O)[O-] ZINC000161691150 388728628 /nfs/dbraw/zinc/72/86/28/388728628.db2.gz HOZRRHHNBOUGSH-NXEZZACHSA-N 0 0 248.282 2.608 20 5 BFBDRN CCCc1nccn1Cc1ccccc1[N+](=O)[O-] ZINC000070424282 388730097 /nfs/dbraw/zinc/73/00/97/388730097.db2.gz VQAJDQLGQJFWOK-UHFFFAOYSA-N 0 0 245.282 2.792 20 5 BFBDRN C[C@H](Nc1ccc([N+](=O)[O-])c(N)c1F)C1CC1 ZINC000274698392 388732838 /nfs/dbraw/zinc/73/28/38/388732838.db2.gz TUAKANSAEYOGPS-LURJTMIESA-N 0 0 239.250 2.527 20 5 BFBDRN CC[C@H]1[C@@H](C)CCN1c1ncc(C)cc1[N+](=O)[O-] ZINC000274788415 388733253 /nfs/dbraw/zinc/73/32/53/388733253.db2.gz XWXBKNFVUCFDES-QWRGUYRKSA-N 0 0 249.314 2.923 20 5 BFBDRN Cc1ccc(NC(=O)C(C)(C)F)cc1[N+](=O)[O-] ZINC000092148197 388733606 /nfs/dbraw/zinc/73/36/06/388733606.db2.gz LUXMSKCSHQXEGN-UHFFFAOYSA-N 0 0 240.234 2.590 20 5 BFBDRN CCOc1ccc([N+](=O)[O-])cc1NC(C)C ZINC000281391833 388801422 /nfs/dbraw/zinc/80/14/22/388801422.db2.gz ZNORVJGERLSSQY-UHFFFAOYSA-N 0 0 224.260 2.814 20 5 BFBDRN O=[N+]([O-])c1cnc(Sc2cccs2)nc1 ZINC000302091809 388836922 /nfs/dbraw/zinc/83/69/22/388836922.db2.gz HHRMIGVXLAUPOQ-UHFFFAOYSA-N 0 0 239.281 2.598 20 5 BFBDRN C[C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000265880401 132183566 /nfs/dbraw/zinc/18/35/66/132183566.db2.gz YEEVOYNTKJNHLN-ZJUUUORDSA-N 0 0 235.287 2.615 20 5 BFBDRN Cc1cnc(N2C[C@@H](C)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000266421360 132186886 /nfs/dbraw/zinc/18/68/86/132186886.db2.gz ANWXMZCCDIMYQE-GXSJLCMTSA-N 0 0 249.314 2.923 20 5 BFBDRN Cc1cc(N2CCC[C@H](C)[C@H]2C)ncc1[N+](=O)[O-] ZINC000266852024 132187432 /nfs/dbraw/zinc/18/74/32/132187432.db2.gz RRXBYQLMLALMOD-GXSJLCMTSA-N 0 0 249.314 2.923 20 5 BFBDRN C[C@H]1CCCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000341266010 132225958 /nfs/dbraw/zinc/22/59/58/132225958.db2.gz RDTYAIKTEVCUBC-VIFPVBQESA-N 0 0 238.262 2.970 20 5 BFBDRN C[C@@H]1CC[C@@H](C)N(c2ncccc2[N+](=O)[O-])C1 ZINC000301418494 132253801 /nfs/dbraw/zinc/25/38/01/132253801.db2.gz CYSLNOZHDLZKAO-NXEZZACHSA-N 0 0 235.287 2.615 20 5 BFBDRN Cc1cccc([N+](=O)[O-])c1N1CCC[C@@H](F)C1 ZINC000357677863 132274451 /nfs/dbraw/zinc/27/44/51/132274451.db2.gz AZMAPDWWAJBIPH-SNVBAGLBSA-N 0 0 238.262 2.842 20 5 BFBDRN Cc1cccc([N+](=O)[O-])c1N1CCC[C@H](F)C1 ZINC000357677856 132274493 /nfs/dbraw/zinc/27/44/93/132274493.db2.gz AZMAPDWWAJBIPH-JTQLQIEISA-N 0 0 238.262 2.842 20 5 BFBDRN Cc1nc(N2CC3CCC2CC3)ccc1[N+](=O)[O-] ZINC000378412531 132290396 /nfs/dbraw/zinc/29/03/96/132290396.db2.gz RBJZHLWHZVLJEL-UHFFFAOYSA-N 0 0 247.298 2.677 20 5 BFBDRN Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000039293280 132352677 /nfs/dbraw/zinc/35/26/77/132352677.db2.gz XNDPRMCAHFZQPE-UHFFFAOYSA-N 0 0 220.272 2.894 20 5 BFBDRN CC[C@@H]1CCCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000192776766 132449597 /nfs/dbraw/zinc/44/95/97/132449597.db2.gz NSULIRLWYHIFFX-SNVBAGLBSA-N 0 0 249.314 2.803 20 5 BFBDRN O=[N+]([O-])c1cccc(F)c1N[C@@H]1C[C@H]1C1CC1 ZINC000343035550 133616867 /nfs/dbraw/zinc/61/68/67/133616867.db2.gz TUKNNXSITIDRGW-WCBMZHEXSA-N 0 0 236.246 2.944 20 5 BFBDRN O=[N+]([O-])c1cccc2c1CCN2CCCCF ZINC000351717045 133982784 /nfs/dbraw/zinc/98/27/84/133982784.db2.gz CYTVEOVHWOSBAJ-UHFFFAOYSA-N 0 0 238.262 2.707 20 5 BFBDRN O=[N+]([O-])c1cn(C[C@H]2CCCC(F)(F)C2)cn1 ZINC000335922806 134007838 /nfs/dbraw/zinc/00/78/38/134007838.db2.gz UQPVIEPEKBINJK-QMMMGPOBSA-N 0 0 245.229 2.617 20 5 BFBDRN Cc1cccc(C(=O)N2[C@H](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000336065125 134069848 /nfs/dbraw/zinc/06/98/48/134069848.db2.gz PYRPVEHIGBCZRK-NXEZZACHSA-N 0 0 248.282 2.526 20 5 BFBDRN O=[N+]([O-])c1cnn(Cc2cc3ccccc3o2)c1 ZINC000352280192 134129746 /nfs/dbraw/zinc/12/97/46/134129746.db2.gz QQMAOITXKFVDDQ-UHFFFAOYSA-N 0 0 243.222 2.586 20 5 BFBDRN CC(C)=CCNc1cccc([N+](=O)[O-])c1 ZINC000220134589 134301288 /nfs/dbraw/zinc/30/12/88/134301288.db2.gz RTHOWKVIHOZAOM-UHFFFAOYSA-N 0 0 206.245 2.973 20 5 BFBDRN CCCCN(C)c1cccc(OC)c1[N+](=O)[O-] ZINC000185081826 134373442 /nfs/dbraw/zinc/37/34/42/134373442.db2.gz WSUYIQYRSDIAOV-UHFFFAOYSA-N 0 0 238.287 2.840 20 5 BFBDRN COc1ccc([N+](=O)[O-])c(NC2CCC2)c1 ZINC000085485921 134381500 /nfs/dbraw/zinc/38/15/00/134381500.db2.gz QVBKPHUXXRITTC-UHFFFAOYSA-N 0 0 222.244 2.568 20 5 BFBDRN C[C@@H]1C[C@H]1CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000227888254 134397631 /nfs/dbraw/zinc/39/76/31/134397631.db2.gz ULNVRRXDZBMCAR-RQJHMYQMSA-N 0 0 242.225 2.941 20 5 BFBDRN C[C@H]1C[C@H]1CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000227888257 134397733 /nfs/dbraw/zinc/39/77/33/134397733.db2.gz ULNVRRXDZBMCAR-BQBZGAKWSA-N 0 0 242.225 2.941 20 5 BFBDRN C[C@@H]1CC[C@@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000230433583 134504804 /nfs/dbraw/zinc/50/48/04/134504804.db2.gz YXOTYVYKEAKXFJ-NXEZZACHSA-N 0 0 235.287 2.838 20 5 BFBDRN C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000129626106 134612559 /nfs/dbraw/zinc/61/25/59/134612559.db2.gz ZUUTZLNSKKFGTL-RKDXNWHRSA-N 0 0 221.260 2.590 20 5 BFBDRN C[C@H]1CCC[C@@H]1Nc1ccncc1[N+](=O)[O-] ZINC000070833080 134923782 /nfs/dbraw/zinc/92/37/82/134923782.db2.gz HRFPUXMKVKKUMN-IUCAKERBSA-N 0 0 221.260 2.590 20 5 BFBDRN O=[N+]([O-])c1ccc(SCc2ccon2)cc1 ZINC000077413430 135066291 /nfs/dbraw/zinc/06/62/91/135066291.db2.gz XLWMPGKXZAYZOR-UHFFFAOYSA-N 0 0 236.252 2.875 20 5 BFBDRN O=[N+]([O-])c1cc(F)ccc1NCCC1CC1 ZINC000078499213 135128488 /nfs/dbraw/zinc/12/84/88/135128488.db2.gz HKVGVCZRORZXPE-UHFFFAOYSA-N 0 0 224.235 2.946 20 5 BFBDRN COC(C)(C)CNc1ccc(F)cc1[N+](=O)[O-] ZINC000078471115 135393554 /nfs/dbraw/zinc/39/35/54/135393554.db2.gz NEDFRMQUHNSCQF-UHFFFAOYSA-N 0 0 242.250 2.571 20 5 BFBDRN O=[N+]([O-])c1cc(F)cc(NCCCCF)c1 ZINC000309235186 135436471 /nfs/dbraw/zinc/43/64/71/135436471.db2.gz JJDYACKODYQXGJ-UHFFFAOYSA-N 0 0 230.214 2.896 20 5 BFBDRN Cc1cnc(NCCc2ccco2)c([N+](=O)[O-])c1 ZINC000090692084 135551960 /nfs/dbraw/zinc/55/19/60/135551960.db2.gz MYAPBNGBEUSJJK-UHFFFAOYSA-N 0 0 247.254 2.546 20 5 BFBDRN COc1ccc([N+](=O)[O-])c(N[C@@H]2CC2(C)C)c1 ZINC000090794561 135554747 /nfs/dbraw/zinc/55/47/47/135554747.db2.gz DUCUYPSMPFVNMD-LLVKDONJSA-N 0 0 236.271 2.814 20 5 BFBDRN Cc1ccc(N[C@@H]2C[C@H]2C(F)F)c([N+](=O)[O-])c1 ZINC000343796743 135695535 /nfs/dbraw/zinc/69/55/35/135695535.db2.gz XBTQIPMITDRIII-VXNVDRBHSA-N 0 0 242.225 2.969 20 5 BFBDRN O=[N+]([O-])c1ccccc1N1CC[C@H]1C1CC1 ZINC000334622292 135794554 /nfs/dbraw/zinc/79/45/54/135794554.db2.gz FXFVBNANMCIKIV-JTQLQIEISA-N 0 0 218.256 2.584 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2[C@@H](C)C[C@@H]2C)c1 ZINC000335258477 135989151 /nfs/dbraw/zinc/98/91/51/135989151.db2.gz YFMRODMEMLIHEI-UWVGGRQHSA-N 0 0 248.282 2.526 20 5 BFBDRN Cc1nn([C@H]2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000335298991 136008154 /nfs/dbraw/zinc/00/81/54/136008154.db2.gz OSPHIBUPWHWYCQ-VIFPVBQESA-N 0 0 223.276 2.851 20 5 BFBDRN O=[N+]([O-])c1ccccc1N[C@@H]1C[C@@H]1C(F)F ZINC000348218567 136046414 /nfs/dbraw/zinc/04/64/14/136046414.db2.gz LDYIHOXYANGNBU-POYBYMJQSA-N 0 0 228.198 2.660 20 5 BFBDRN CC(C)CN1CCc2ccc([N+](=O)[O-])cc21 ZINC000348217239 136046748 /nfs/dbraw/zinc/04/67/48/136046748.db2.gz FYHOVWYHMVDOCB-UHFFFAOYSA-N 0 0 220.272 2.613 20 5 BFBDRN CC[C@H](CNc1cc(C)ccc1[N+](=O)[O-])OC ZINC000336722883 397949342 /nfs/dbraw/zinc/94/93/42/397949342.db2.gz TWOJANRNCVBNQW-SNVBAGLBSA-N 0 0 238.287 2.740 20 5 BFBDRN O=[N+]([O-])c1cc(F)ccc1NCc1cccnc1 ZINC000034979414 397960206 /nfs/dbraw/zinc/96/02/06/397960206.db2.gz MSYOILPMTGSAGH-UHFFFAOYSA-N 0 0 247.229 2.741 20 5 BFBDRN CCCCNc1ccc(F)cc1[N+](=O)[O-] ZINC000034979408 397960510 /nfs/dbraw/zinc/96/05/10/397960510.db2.gz CGDIWANQXNDLCN-UHFFFAOYSA-N 0 0 212.224 2.946 20 5 BFBDRN C[C@H](CNc1ccc([N+](=O)[O-])nc1)C(F)(F)F ZINC000355782652 397970863 /nfs/dbraw/zinc/97/08/63/397970863.db2.gz MKMALDRAVQBXOC-ZCFIWIBFSA-N 0 0 249.192 2.600 20 5 BFBDRN C[C@@H](CNc1ccc([N+](=O)[O-])nc1)C(F)(F)F ZINC000355782651 397971281 /nfs/dbraw/zinc/97/12/81/397971281.db2.gz MKMALDRAVQBXOC-LURJTMIESA-N 0 0 249.192 2.600 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H](C)[C@@H]2C)n1 ZINC000408170451 397973666 /nfs/dbraw/zinc/97/36/66/397973666.db2.gz DSEQIEZWLDDQDF-KWQFWETISA-N 0 0 249.314 2.841 20 5 BFBDRN O=[N+]([O-])c1cccc(OCCC(F)(F)F)c1 ZINC000269748217 398074293 /nfs/dbraw/zinc/07/42/93/398074293.db2.gz ZGSLKRCOPRXEFZ-UHFFFAOYSA-N 0 0 235.161 2.926 20 5 BFBDRN Cc1ccc(NCc2cccc([N+](=O)[O-])c2)cn1 ZINC000083371318 409916935 /nfs/dbraw/zinc/91/69/35/409916935.db2.gz BNKLTERSXBKXHD-UHFFFAOYSA-N 0 0 243.266 2.910 20 5 BFBDRN Cc1cncc(CNc2ccc([N+](=O)[O-])cc2)c1 ZINC000340569691 410465031 /nfs/dbraw/zinc/46/50/31/410465031.db2.gz ATWRYJJSCAXCQB-UHFFFAOYSA-N 0 0 243.266 2.910 20 5 BFBDRN CC(C)CCNc1ncc([N+](=O)[O-])s1 ZINC000083348329 166870703 /nfs/dbraw/zinc/87/07/03/166870703.db2.gz LFYLTLDZOXTYAR-UHFFFAOYSA-N 0 0 215.278 2.509 20 5 BFBDRN CC(C)CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000227887303 167015728 /nfs/dbraw/zinc/01/57/28/167015728.db2.gz WETNVEHBYYPYKB-UHFFFAOYSA-N 0 0 230.214 2.941 20 5 BFBDRN CC(C)OCCNc1cccc(F)c1[N+](=O)[O-] ZINC000168649349 167246326 /nfs/dbraw/zinc/24/63/26/167246326.db2.gz QDAWFYQJAJIVNE-UHFFFAOYSA-N 0 0 242.250 2.571 20 5 BFBDRN CC(C)OCCOc1ccc(F)cc1[N+](=O)[O-] ZINC000171150498 167248761 /nfs/dbraw/zinc/24/87/61/167248761.db2.gz RUFPJYCUDDMAPR-UHFFFAOYSA-N 0 0 243.234 2.538 20 5 BFBDRN CC(C)SCCNc1ncccc1[N+](=O)[O-] ZINC000286322919 167334478 /nfs/dbraw/zinc/33/44/78/167334478.db2.gz HLUFPKRTKFNIFI-UHFFFAOYSA-N 0 0 241.316 2.543 20 5 BFBDRN CC(C)[C@@H](C)SCCn1ccc([N+](=O)[O-])n1 ZINC000267187563 167387071 /nfs/dbraw/zinc/38/70/71/167387071.db2.gz NWZFHUGKIXMJBE-SECBINFHSA-N 0 0 243.332 2.569 20 5 BFBDRN O=[N+]([O-])c1cnccc1NCCC1=CCCC1 ZINC000229174087 411189524 /nfs/dbraw/zinc/18/95/24/411189524.db2.gz GLJOZJUHKCWCCR-UHFFFAOYSA-N 0 0 233.271 2.902 20 5 BFBDRN CC[C@@H](C)CN(C)c1ccc([N+](=O)[O-])c(C)n1 ZINC000301642845 411206470 /nfs/dbraw/zinc/20/64/70/411206470.db2.gz HAKUTPWAVJPWAI-SECBINFHSA-N 0 0 237.303 2.781 20 5 BFBDRN CC1(CSc2cccc([N+](=O)[O-])c2)COC1 ZINC000337919238 168052025 /nfs/dbraw/zinc/05/20/25/168052025.db2.gz WUSCIIKSUWIBFM-UHFFFAOYSA-N 0 0 239.296 2.723 20 5 BFBDRN CC1CN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000357785161 168191643 /nfs/dbraw/zinc/19/16/43/168191643.db2.gz GLUWTGWZYFNICC-UHFFFAOYSA-N 0 0 226.663 2.704 20 5 BFBDRN CCN(c1ccc([N+](=O)[O-])nc1)C1CCCC1 ZINC000336686353 169943235 /nfs/dbraw/zinc/94/32/35/169943235.db2.gz DRUPYMOCDWARNE-UHFFFAOYSA-N 0 0 235.287 2.759 20 5 BFBDRN CC[C@@H](C)Nc1ncc([N+](=O)[O-])cc1C ZINC000052812161 170760996 /nfs/dbraw/zinc/76/09/96/170760996.db2.gz KERBQPGNTOZIDL-MRVPVSSYSA-N 0 0 209.249 2.509 20 5 BFBDRN CC[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000151612164 171014992 /nfs/dbraw/zinc/01/49/92/171014992.db2.gz MPVCBWUHWFLKDG-SNVBAGLBSA-N 0 0 235.287 2.535 20 5 BFBDRN CC[C@@H]1CCN(c2nccc(C)c2[N+](=O)[O-])C1 ZINC000152828593 171016030 /nfs/dbraw/zinc/01/60/30/171016030.db2.gz VBJQITVQELXQTC-SNVBAGLBSA-N 0 0 235.287 2.535 20 5 BFBDRN CC[C@@H]1C[C@H]1Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000220208786 171142330 /nfs/dbraw/zinc/14/23/30/171142330.db2.gz UVNMNRITUIWWFK-RKDXNWHRSA-N 0 0 221.260 2.509 20 5 BFBDRN CC[C@@H]1[C@@H](C)CCN1c1ncc([N+](=O)[O-])s1 ZINC000192536779 171157783 /nfs/dbraw/zinc/15/77/83/171157783.db2.gz WQQCJSFNUNFZNT-JGVFFNPUSA-N 0 0 241.316 2.676 20 5 BFBDRN CC[C@@H]1[C@H](C)CCN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000274685748 171159967 /nfs/dbraw/zinc/15/99/67/171159967.db2.gz IISCGLIPIQGORG-MWLCHTKSSA-N 0 0 249.314 2.923 20 5 BFBDRN CC[C@@H]1[C@H](C)CCN1c1ncccc1[N+](=O)[O-] ZINC000274781857 171160016 /nfs/dbraw/zinc/16/00/16/171160016.db2.gz WOJIKYACDLKECE-NXEZZACHSA-N 0 0 235.287 2.615 20 5 BFBDRN CC[C@H](C)N(C)c1ccccc1[N+](=O)[O-] ZINC000301620659 171309928 /nfs/dbraw/zinc/30/99/28/171309928.db2.gz MSVCIAQLKNQINX-VIFPVBQESA-N 0 0 208.261 2.830 20 5 BFBDRN CC[C@H](C)NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000033770436 171321864 /nfs/dbraw/zinc/32/18/64/171321864.db2.gz CMVYGVLBLBVTHB-DMEOUFDRSA-N 0 0 248.282 2.523 20 5 BFBDRN CC[C@H](C)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000006394604 171321979 /nfs/dbraw/zinc/32/19/79/171321979.db2.gz XYJDKJCGBQNWRB-DDXVTDLHSA-N 0 0 248.282 2.523 20 5 BFBDRN CC[C@H](C)Nc1ccc([N+](=O)[O-])cc1F ZINC000020474727 171349564 /nfs/dbraw/zinc/34/95/64/171349564.db2.gz JJZOMFMEGWDMQW-ZETCQYMHSA-N 0 0 212.224 2.944 20 5 BFBDRN CC[C@H](C)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000085426781 171350421 /nfs/dbraw/zinc/35/04/21/171350421.db2.gz DDEPVFCGFCZSKH-QMMMGPOBSA-N 0 0 209.249 2.509 20 5 BFBDRN CC[C@H]1CCCN1c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359079467 171622463 /nfs/dbraw/zinc/62/24/63/171622463.db2.gz BCJTXPNEGVZKKS-NSHDSACASA-N 0 0 249.314 2.985 20 5 BFBDRN CC[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000301579443 171632967 /nfs/dbraw/zinc/63/29/67/171632967.db2.gz SGSWEZILBYWKBZ-JTQLQIEISA-N 0 0 220.272 2.831 20 5 BFBDRN CCc1nccn1Cc1cccc([N+](=O)[O-])c1C ZINC000104288385 172028215 /nfs/dbraw/zinc/02/82/15/172028215.db2.gz BQUGCFGIAIUZGP-UHFFFAOYSA-N 0 0 245.282 2.710 20 5 BFBDRN CCn1c(C)nc([N+](=O)[O-])c1NCCC(C)C ZINC000288189347 172137094 /nfs/dbraw/zinc/13/70/94/172137094.db2.gz RRLLHUXAALCVNA-UHFFFAOYSA-N 0 0 240.307 2.578 20 5 BFBDRN CN(C(=O)/C=C/C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000269909818 172294238 /nfs/dbraw/zinc/29/42/38/172294238.db2.gz ALHCCLYCELRTRD-BQYQJAHWSA-N 0 0 246.266 2.524 20 5 BFBDRN CN(C(=O)CC1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000074238285 172301989 /nfs/dbraw/zinc/30/19/89/172301989.db2.gz XOMMOPUEBZBUQP-UHFFFAOYSA-N 0 0 248.282 2.748 20 5 BFBDRN CN(c1ccccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000302861440 172951957 /nfs/dbraw/zinc/95/19/57/172951957.db2.gz PWEDTUFQHPGJFS-NSHDSACASA-N 0 0 220.272 2.830 20 5 BFBDRN COCC(C)(C)CNc1ccc([N+](=O)[O-])cc1 ZINC000291946873 174076605 /nfs/dbraw/zinc/07/66/05/174076605.db2.gz UBZCCSFDUCHKKL-UHFFFAOYSA-N 0 0 238.287 2.679 20 5 BFBDRN COCCCCNc1cccc([N+](=O)[O-])c1C ZINC000062724074 174205393 /nfs/dbraw/zinc/20/53/93/174205393.db2.gz WQOPQUSORRKLBE-UHFFFAOYSA-N 0 0 238.287 2.742 20 5 BFBDRN COCCCNc1ccc([N+](=O)[O-])cc1Cl ZINC000034938136 174252043 /nfs/dbraw/zinc/25/20/43/174252043.db2.gz XZUXKAXWYZKGTA-UHFFFAOYSA-N 0 0 244.678 2.697 20 5 BFBDRN COCCCOc1cccc(Cl)c1[N+](=O)[O-] ZINC000163123331 174256845 /nfs/dbraw/zinc/25/68/45/174256845.db2.gz KLSOLSJNZJCFBU-UHFFFAOYSA-N 0 0 245.662 2.664 20 5 BFBDRN COCCCSCc1cccc([N+](=O)[O-])c1 ZINC000187814212 174258435 /nfs/dbraw/zinc/25/84/35/174258435.db2.gz TUSKNOWGZZEALJ-UHFFFAOYSA-N 0 0 241.312 2.865 20 5 BFBDRN COCC[C@@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000045020918 174386475 /nfs/dbraw/zinc/38/64/75/174386475.db2.gz DQVPZSJMZGDDIZ-MRVPVSSYSA-N 0 0 242.250 2.571 20 5 BFBDRN COc1cccc(N2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000185500775 175275328 /nfs/dbraw/zinc/27/53/28/175275328.db2.gz INOBELBXHGMJAB-VIFPVBQESA-N 0 0 236.271 2.592 20 5 BFBDRN CSCCNc1ccc([N+](=O)[O-])cc1C ZINC000069012591 175498650 /nfs/dbraw/zinc/49/86/50/175498650.db2.gz FSEKQDGTRHUARL-UHFFFAOYSA-N 0 0 226.301 2.678 20 5 BFBDRN CSCCOc1cccc(Cl)c1[N+](=O)[O-] ZINC000292539377 175501247 /nfs/dbraw/zinc/50/12/47/175501247.db2.gz BBJBAJJRXZKUCU-UHFFFAOYSA-N 0 0 247.703 2.990 20 5 BFBDRN CSCOc1ccc(C)cc1[N+](=O)[O-] ZINC000292712438 175509128 /nfs/dbraw/zinc/50/91/28/175509128.db2.gz RLZFQHWCUSGRSB-UHFFFAOYSA-N 0 0 213.258 2.603 20 5 BFBDRN C[C@@H](Nc1ncccn1)c1ccccc1[N+](=O)[O-] ZINC000340991384 175938069 /nfs/dbraw/zinc/93/80/69/175938069.db2.gz LFRCUGYEMXRVMP-SECBINFHSA-N 0 0 244.254 2.558 20 5 BFBDRN C[C@@H]1CCCN1c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000278493744 176111362 /nfs/dbraw/zinc/11/13/62/176111362.db2.gz WOBYNOHFCKZURA-SECBINFHSA-N 0 0 247.298 2.552 20 5 BFBDRN C[C@@H]1CCC[C@@H]1Nc1cc(N)ccc1[N+](=O)[O-] ZINC000282170236 176133275 /nfs/dbraw/zinc/13/32/75/176133275.db2.gz IARNPKBDYQFIBZ-SCZZXKLOSA-N 0 0 235.287 2.778 20 5 BFBDRN C[C@@H]1CCC[C@H](Cn2cnc([N+](=O)[O-])c2)C1 ZINC000185505745 176139878 /nfs/dbraw/zinc/13/98/78/176139878.db2.gz DRYRWTGKOUSAGN-ZJUUUORDSA-N 0 0 223.276 2.618 20 5 BFBDRN C[C@@H]1CCC[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000105385300 176149757 /nfs/dbraw/zinc/14/97/57/176149757.db2.gz GGMNKWNGDQQIPW-MWLCHTKSSA-N 0 0 248.282 2.513 20 5 BFBDRN C[C@@H]1CCN(c2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000301489034 176181646 /nfs/dbraw/zinc/18/16/46/176181646.db2.gz KIKUVKLJHNNRLQ-NXEZZACHSA-N 0 0 220.272 2.830 20 5 BFBDRN C[C@H](F)CCNc1ccccc1[N+](=O)[O-] ZINC000338756100 176741564 /nfs/dbraw/zinc/74/15/64/176741564.db2.gz QSFKAIVSXTWSQP-QMMMGPOBSA-N 0 0 212.224 2.755 20 5 BFBDRN C[C@@H](SCc1ccc([N+](=O)[O-])cc1)[C@H](C)O ZINC000079039066 177005656 /nfs/dbraw/zinc/00/56/56/177005656.db2.gz ZMPHZKOMNKLWTL-DTWKUNHWSA-N 0 0 241.312 2.597 20 5 BFBDRN C[C@@H](O)[C@H](C)Sc1ccc(F)cc1[N+](=O)[O-] ZINC000078582167 177028962 /nfs/dbraw/zinc/02/89/62/177028962.db2.gz SVWGRSUZFXELDT-RQJHMYQMSA-N 0 0 245.275 2.595 20 5 BFBDRN C[C@H]1CCCCCN1c1ccc([N+](=O)[O-])cn1 ZINC000301286311 177070354 /nfs/dbraw/zinc/07/03/54/177070354.db2.gz OKQKEQSIHTXOGQ-JTQLQIEISA-N 0 0 235.287 2.759 20 5 BFBDRN C[C@H]1CCCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000004716693 177105506 /nfs/dbraw/zinc/10/55/06/177105506.db2.gz WEEACGCKIRGUOP-QMMMGPOBSA-N 0 0 226.301 2.893 20 5 BFBDRN C[C@H]1CCC[C@H](Nc2ccncc2[N+](=O)[O-])C1 ZINC000037255984 177138186 /nfs/dbraw/zinc/13/81/86/177138186.db2.gz PIXHMJDYHCZRTO-UWVGGRQHSA-N 0 0 235.287 2.980 20 5 BFBDRN C[C@H]1CCN(c2cccc(F)c2[N+](=O)[O-])[C@H]1C ZINC000267642377 177171400 /nfs/dbraw/zinc/17/14/00/177171400.db2.gz LBSJXAPJCLSGKY-IUCAKERBSA-N 0 0 238.262 2.969 20 5 BFBDRN C[C@H]1CN(c2ncc([N+](=O)[O-])s2)CC[C@@H]1C ZINC000192517685 177172280 /nfs/dbraw/zinc/17/22/80/177172280.db2.gz OUFRLYXVEZTHJU-YUMQZZPRSA-N 0 0 241.316 2.534 20 5 BFBDRN C[C@H]1C[C@@H]1CNc1c(F)cccc1[N+](=O)[O-] ZINC000304568270 177345933 /nfs/dbraw/zinc/34/59/33/177345933.db2.gz QWUMXQMDAPMYFP-JGVFFNPUSA-N 0 0 224.235 2.802 20 5 BFBDRN C[C@H]1OCC[C@H]1Sc1ccccc1[N+](=O)[O-] ZINC000269895241 177409028 /nfs/dbraw/zinc/40/90/28/177409028.db2.gz DJVPAJAWQLHTBL-PSASIEDQSA-N 0 0 239.296 2.864 20 5 BFBDRN O=[N+]([O-])c1ccc(/C=C\c2cncc(F)c2)nc1 ZINC000487803317 225325873 /nfs/dbraw/zinc/32/58/73/225325873.db2.gz QOBBWKYKQVPEIA-UPHRSURJSA-N 0 0 245.213 2.694 20 5 BFBDRN C[C@@H](F)CCOc1c(F)cccc1[N+](=O)[O-] ZINC000505504718 226355982 /nfs/dbraw/zinc/35/59/82/226355982.db2.gz BDUJLAAJFLTCMR-SSDOTTSWSA-N 0 0 231.198 2.861 20 5 BFBDRN O=[N+]([O-])c1cnc(Nc2ccc(F)cc2)s1 ZINC000195505119 229168096 /nfs/dbraw/zinc/16/80/96/229168096.db2.gz GGDLUBHTMSPPOI-UHFFFAOYSA-N 0 0 239.231 2.934 20 5 BFBDRN C[C@H]1CSC[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000304343776 229347902 /nfs/dbraw/zinc/34/79/02/229347902.db2.gz BSQXMWTUAZWMHT-GZMMTYOYSA-N 0 0 238.312 2.758 20 5 BFBDRN CC(C)[C@]1(C)C[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000397320690 262921878 /nfs/dbraw/zinc/92/18/78/262921878.db2.gz VOSNQWVDOWMBBP-XCBNKYQSSA-N 0 0 241.316 2.898 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000397703367 262930244 /nfs/dbraw/zinc/93/02/44/262930244.db2.gz KLLAMZFJJKWYFY-DOFRTFSJSA-N 0 0 218.256 2.805 20 5 BFBDRN Cc1nc(COc2cccc([N+](=O)[O-])c2C)co1 ZINC000555873642 322977120 /nfs/dbraw/zinc/97/71/20/322977120.db2.gz AABWAWRHJWDBJF-UHFFFAOYSA-N 0 0 248.238 2.779 20 5 BFBDRN CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000159871627 323051485 /nfs/dbraw/zinc/05/14/85/323051485.db2.gz QOWJGFSNCCTLQP-AAEUAGOBSA-N 0 0 248.282 2.970 20 5 BFBDRN COc1cc(NCC(C)(F)F)ccc1[N+](=O)[O-] ZINC000570944785 323076480 /nfs/dbraw/zinc/07/64/80/323076480.db2.gz HTWCRMJZLUWEHP-UHFFFAOYSA-N 0 0 246.213 2.671 20 5 BFBDRN Cc1ncc([N+](=O)[O-])c(OCC(C)C)c1C ZINC000563437662 323125441 /nfs/dbraw/zinc/12/54/41/323125441.db2.gz ASAYPTGXNIMSDA-UHFFFAOYSA-N 0 0 224.260 2.641 20 5 BFBDRN COc1ccc([N+](=O)[O-])c(OCC2CCC2)c1 ZINC000571325481 323141440 /nfs/dbraw/zinc/14/14/40/323141440.db2.gz QHNYLBOICDMFPR-UHFFFAOYSA-N 0 0 237.255 2.782 20 5 BFBDRN O=[N+]([O-])c1ccccc1OCc1nccs1 ZINC000161112260 323147642 /nfs/dbraw/zinc/14/76/42/323147642.db2.gz ZUHVFDBVIBYCIB-UHFFFAOYSA-N 0 0 236.252 2.630 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@@H]2CC23CCCC3)cn1 ZINC000395631554 323233910 /nfs/dbraw/zinc/23/39/10/323233910.db2.gz COUQLSAUBKZASC-SNVBAGLBSA-N 0 0 233.271 2.734 20 5 BFBDRN CN(Cc1ccccc1[N+](=O)[O-])CC1(F)CC1 ZINC000526970271 323309507 /nfs/dbraw/zinc/30/95/07/323309507.db2.gz OLXKNPKSZPUADI-UHFFFAOYSA-N 0 0 238.262 2.529 20 5 BFBDRN COc1cccc([N+](=O)[O-])c1NC[C@H]1C[C@H]1C ZINC000572303831 323591236 /nfs/dbraw/zinc/59/12/36/323591236.db2.gz YMBWMEABGNHLHT-RKDXNWHRSA-N 0 0 236.271 2.671 20 5 BFBDRN CN(Cc1ccccc1)c1ncc([N+](=O)[O-])s1 ZINC000190299596 324195107 /nfs/dbraw/zinc/19/51/07/324195107.db2.gz SPESNQVSQHPYNU-UHFFFAOYSA-N 0 0 249.295 2.688 20 5 BFBDRN O=[N+]([O-])c1cnc(N2CCc3ccccc32)s1 ZINC000190300323 324195241 /nfs/dbraw/zinc/19/52/41/324195241.db2.gz CLFFLPIGXZZXAE-UHFFFAOYSA-N 0 0 247.279 2.746 20 5 BFBDRN CC(C)=CCN1CCc2c1cccc2[N+](=O)[O-] ZINC000544759089 325157943 /nfs/dbraw/zinc/15/79/43/325157943.db2.gz OMGOAWPVWPQYSK-UHFFFAOYSA-N 0 0 232.283 2.924 20 5 BFBDRN Cc1ccc(NC(=O)C2(C)CC2)cc1[N+](=O)[O-] ZINC000155279599 326191024 /nfs/dbraw/zinc/19/10/24/326191024.db2.gz HCYFTGORBGJXRW-UHFFFAOYSA-N 0 0 234.255 2.642 20 5 BFBDRN Cc1cc(N2C[C@H](C)[C@H](C)[C@H]2C)ncc1[N+](=O)[O-] ZINC000573074912 326428177 /nfs/dbraw/zinc/42/81/77/326428177.db2.gz LSKAZICDQPDZJD-GARJFASQSA-N 0 0 249.314 2.779 20 5 BFBDRN CSc1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000603497920 487481229 /nfs/dbraw/zinc/48/12/29/487481229.db2.gz NYERGHZTEBYQLC-UHFFFAOYSA-N 0 0 249.295 2.562 20 5 BFBDRN CC(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000069524595 491120786 /nfs/dbraw/zinc/12/07/86/491120786.db2.gz WMGRVUBZMZLAJE-UHFFFAOYSA-N 0 0 236.271 2.970 20 5 BFBDRN C[C@@H]1CC[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000308812418 534263886 /nfs/dbraw/zinc/26/38/86/534263886.db2.gz OFFRRRKYPUVORY-LDYMZIIASA-N 0 0 206.245 2.805 20 5 BFBDRN CCCCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000034506513 535296600 /nfs/dbraw/zinc/29/66/00/535296600.db2.gz KCMYEMHXIIFYLP-UHFFFAOYSA-N 0 0 234.259 2.683 20 5 BFBDRN CO[C@@H](C)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000180920420 536878323 /nfs/dbraw/zinc/87/83/23/536878323.db2.gz CEPBCAAQRGGDBF-ZETCQYMHSA-N 0 0 245.662 2.662 20 5 BFBDRN CO[C@@H](C)Cn1ccc2c1cccc2[N+](=O)[O-] ZINC000167332597 536883612 /nfs/dbraw/zinc/88/36/12/536883612.db2.gz SGAJWGLCLVPGTQ-VIFPVBQESA-N 0 0 234.255 2.584 20 5 BFBDRN Cc1csc(CNc2ccc([N+](=O)[O-])nc2)c1 ZINC000344628242 566389080 /nfs/dbraw/zinc/38/90/80/566389080.db2.gz MIBGRAHGADLPBQ-UHFFFAOYSA-N 0 0 249.295 2.972 20 5 BFBDRN Cc1cc(N2CC[C@@H]3C[C@@H]32)c([N+](=O)[O-])s1 ZINC000853569373 588749021 /nfs/dbraw/zinc/74/90/21/588749021.db2.gz RIGNBMYLWJYJIZ-SFYZADRCSA-N 0 0 224.285 2.563 20 5 BFBDRN Cc1cc(N2CC3(CC3)C2)c([N+](=O)[O-])s1 ZINC000853652030 588752409 /nfs/dbraw/zinc/75/24/09/588752409.db2.gz YLPPDDXRZJCMQQ-UHFFFAOYSA-N 0 0 224.285 2.565 20 5 BFBDRN CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1C=CCC1 ZINC000853800374 588764092 /nfs/dbraw/zinc/76/40/92/588764092.db2.gz RUGUVVZJGCNMFU-JTQLQIEISA-N 0 0 246.266 2.928 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CC[C@H]3C[C@H]3C2)c(F)c1 ZINC000853901607 588767955 /nfs/dbraw/zinc/76/79/55/588767955.db2.gz FUZZIQFFPBDSGT-IUCAKERBSA-N 0 0 236.246 2.580 20 5 BFBDRN CCCCOC(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000112492822 588800345 /nfs/dbraw/zinc/80/03/45/588800345.db2.gz XSDRHDVTCQLWCO-UHFFFAOYSA-N 0 0 241.218 2.691 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CC[C@H]3C[C@H]32)c(Cl)c1 ZINC000804690104 582527536 /nfs/dbraw/zinc/52/75/36/582527536.db2.gz YJYNGEVSXZXBLV-WRWORJQWSA-N 0 0 238.674 2.847 20 5 BFBDRN CCCC[C@@H](C(=O)O[C@@H](C)C[N+](=O)[O-])C(C)C ZINC000857030910 588882733 /nfs/dbraw/zinc/88/27/33/588882733.db2.gz KGYPPENFDUZFLL-WDEREUQCSA-N 0 0 245.319 2.657 20 5 BFBDRN CC(C)(/C=C\Cl)Nc1ccc([N+](=O)[O-])cn1 ZINC000895913964 583746245 /nfs/dbraw/zinc/74/62/45/583746245.db2.gz FHBADWAGCMTVCX-WAYWQWQTSA-N 0 0 241.678 2.933 20 5 BFBDRN CCC[C@H](O)CCNc1ccsc1[N+](=O)[O-] ZINC000896184071 583779370 /nfs/dbraw/zinc/77/93/70/583779370.db2.gz SOGFPFPOYPAMKF-QMMMGPOBSA-N 0 0 244.316 2.619 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CC[C@H]2C2CCCC2)cn1 ZINC000897156993 583886574 /nfs/dbraw/zinc/88/65/74/583886574.db2.gz SJKRXNJKZRKAFW-LBPRGKRZSA-N 0 0 247.298 2.759 20 5 BFBDRN O=[N+]([O-])c1ncccc1N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000897176820 583890070 /nfs/dbraw/zinc/89/00/70/583890070.db2.gz FGGLWDLDIHFURX-IQJOONFLSA-N 0 0 233.271 2.590 20 5 BFBDRN Nc1ccc(N[C@@H]2C[C@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000897180066 583891264 /nfs/dbraw/zinc/89/12/64/583891264.db2.gz OGIWCGGFNLQVIM-HLUHBDAQSA-N 0 0 247.298 2.778 20 5 BFBDRN CCCC(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000728858222 583927926 /nfs/dbraw/zinc/92/79/26/583927926.db2.gz JIFMDCQTGBZZAU-VIFPVBQESA-N 0 0 237.255 2.999 20 5 BFBDRN CC[C@@H](C)c1ccccc1OCC[N+](=O)[O-] ZINC000899230005 584183067 /nfs/dbraw/zinc/18/30/67/584183067.db2.gz AXOFIJAHVWIDOI-SNVBAGLBSA-N 0 0 223.272 2.856 20 5 BFBDRN O=[N+]([O-])CCSc1ccccc1Cl ZINC000899861550 584242408 /nfs/dbraw/zinc/24/24/08/584242408.db2.gz UFHBNYSYEQQTHV-UHFFFAOYSA-N 0 0 217.677 2.709 20 5 BFBDRN Nc1ccc(NCC2CC=CC2)c([N+](=O)[O-])c1 ZINC000858680865 588974031 /nfs/dbraw/zinc/97/40/31/588974031.db2.gz AOLURQHWTVIOJB-UHFFFAOYSA-N 0 0 233.271 2.555 20 5 BFBDRN CCCOC(=O)Oc1ccc(C)cc1[N+](=O)[O-] ZINC000858884380 588982019 /nfs/dbraw/zinc/98/20/19/588982019.db2.gz PUEYXIPUYYBYII-UHFFFAOYSA-N 0 0 239.227 2.829 20 5 BFBDRN COC/C(C)=C/COc1cccc([N+](=O)[O-])c1 ZINC000901373751 584434773 /nfs/dbraw/zinc/43/47/73/584434773.db2.gz OZCKOSUHZAFAQZ-UXBLZVDNSA-N 0 0 237.255 2.566 20 5 BFBDRN CC1(CCOC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000764239111 584926340 /nfs/dbraw/zinc/92/63/40/584926340.db2.gz ADEPUHLCNMVVDV-UHFFFAOYSA-N 0 0 249.266 2.942 20 5 BFBDRN CC[C@@H](C)OC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000738583473 585047660 /nfs/dbraw/zinc/04/76/60/585047660.db2.gz YQDXSDGGWAKJMI-SECBINFHSA-N 0 0 237.255 2.859 20 5 BFBDRN C[C@H]1C[C@H](C)N(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000740870261 585107682 /nfs/dbraw/zinc/10/76/82/585107682.db2.gz CFVCZFDQGDZRSO-IUCAKERBSA-N 0 0 238.262 2.969 20 5 BFBDRN O=C(/C=C\C1CC1)OCc1cccc([N+](=O)[O-])c1 ZINC000744078465 585143728 /nfs/dbraw/zinc/14/37/28/585143728.db2.gz MOLGVEGKUDCWGB-SREVYHEPSA-N 0 0 247.250 2.604 20 5 BFBDRN CCC(=O)OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746057080 585162834 /nfs/dbraw/zinc/16/28/34/585162834.db2.gz DXMKHZYNDHCDBA-UHFFFAOYSA-N 0 0 243.646 2.701 20 5 BFBDRN C[C@@H](OC(=O)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000749053201 585199107 /nfs/dbraw/zinc/19/91/07/585199107.db2.gz CTSPGONAYSODMF-MRVPVSSYSA-N 0 0 235.239 2.609 20 5 BFBDRN C/C=C(/C)C(=O)OCc1cccc([N+](=O)[O-])c1C ZINC000750900477 585221399 /nfs/dbraw/zinc/22/13/99/585221399.db2.gz BHZUKJPFSJDYGX-WTKPLQERSA-N 0 0 249.266 2.913 20 5 BFBDRN C/C=C(/C)C(=O)OCCc1ccc([N+](=O)[O-])cc1 ZINC000750905830 585221640 /nfs/dbraw/zinc/22/16/40/585221640.db2.gz LIFDVHICQULMOE-KMKOMSMNSA-N 0 0 249.266 2.647 20 5 BFBDRN C/C=C/C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000752415987 585245857 /nfs/dbraw/zinc/24/58/57/585245857.db2.gz RPKCCMPSYOVPDS-YEZKRMTDSA-N 0 0 248.282 2.657 20 5 BFBDRN O=[N+]([O-])c1ccc2c(c1)CCN2CC1CCC1 ZINC000753717489 585266991 /nfs/dbraw/zinc/26/69/91/585266991.db2.gz QWUDQCMACMPDEQ-UHFFFAOYSA-N 0 0 232.283 2.757 20 5 BFBDRN CC(C)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000755949230 585311386 /nfs/dbraw/zinc/31/13/86/585311386.db2.gz POFMNVIREQEUNW-VIFPVBQESA-N 0 0 220.272 2.754 20 5 BFBDRN Cc1cccc([N+](=O)[O-])c1OC(=O)CC1CC1 ZINC000760016346 585384194 /nfs/dbraw/zinc/38/41/94/585384194.db2.gz LAJGYXMPKAIYSS-UHFFFAOYSA-N 0 0 235.239 2.609 20 5 BFBDRN CCCCC(=O)Oc1c(C)cccc1[N+](=O)[O-] ZINC000760022358 585384389 /nfs/dbraw/zinc/38/43/89/585384389.db2.gz KRANVVNXKMUTHD-UHFFFAOYSA-N 0 0 237.255 2.999 20 5 BFBDRN Cc1cnc(N[C@@H](C)c2ccc[nH]2)c([N+](=O)[O-])c1 ZINC000760274830 585388629 /nfs/dbraw/zinc/38/86/29/585388629.db2.gz WJNHSEHBZTUPMZ-VIFPVBQESA-N 0 0 246.270 2.799 20 5 BFBDRN CCCOC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000762904780 585439248 /nfs/dbraw/zinc/43/92/48/585439248.db2.gz VSVSQQUZNAIQAL-UHFFFAOYSA-N 0 0 248.238 2.643 20 5 BFBDRN CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@@H](C)C1 ZINC000763206221 585444550 /nfs/dbraw/zinc/44/45/50/585444550.db2.gz USYZNTBQAVGRAS-SECBINFHSA-N 0 0 248.282 2.644 20 5 BFBDRN C[C@H](C(=O)OCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000763403848 585447717 /nfs/dbraw/zinc/44/77/17/585447717.db2.gz GDRXOGGYQLFCFO-VIFPVBQESA-N 0 0 249.266 2.652 20 5 BFBDRN C/C=C\COC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000763404525 585447733 /nfs/dbraw/zinc/44/77/33/585447733.db2.gz HPCVZROONWJXJA-UMBAGQNISA-N 0 0 249.266 2.818 20 5 BFBDRN CC1(CCOC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000764227416 585461875 /nfs/dbraw/zinc/46/18/75/585461875.db2.gz FIONJCYKGSPZDJ-UHFFFAOYSA-N 0 0 249.266 2.942 20 5 BFBDRN C[C@@H](OC(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000764380906 585464083 /nfs/dbraw/zinc/46/40/83/585464083.db2.gz PXQVXDZYGVIIJO-MRVPVSSYSA-N 0 0 235.239 2.550 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C2CC2)c1 ZINC000764384793 585464326 /nfs/dbraw/zinc/46/43/26/585464326.db2.gz ALONJLXTTZVFGM-SECBINFHSA-N 0 0 249.266 2.859 20 5 BFBDRN C[C@H](OC(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000764397330 585464823 /nfs/dbraw/zinc/46/48/23/585464823.db2.gz PCOCTCLAROPZFC-LURJTMIESA-N 0 0 241.268 2.612 20 5 BFBDRN C[Si](C)(C)COc1c(F)cccc1[N+](=O)[O-] ZINC000766393355 585501748 /nfs/dbraw/zinc/50/17/48/585501748.db2.gz QLOYZSNJXQMRLA-UHFFFAOYSA-N 0 0 243.310 2.990 20 5 BFBDRN O=[N+]([O-])c1cccc(CN(CCF)C2CC2)c1 ZINC000768565472 585540253 /nfs/dbraw/zinc/54/02/53/585540253.db2.gz HMKAXVQOGWZWGG-UHFFFAOYSA-N 0 0 238.262 2.529 20 5 BFBDRN C[C@@H](OC(=O)[C@H]1C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000769139673 585549736 /nfs/dbraw/zinc/54/97/36/585549736.db2.gz YJWVWTRZBNHMEW-SBMIAAHKSA-N 0 0 249.266 2.855 20 5 BFBDRN Cc1c(OC(=O)C(C)(C)F)cccc1[N+](=O)[O-] ZINC000769252111 585551852 /nfs/dbraw/zinc/55/18/52/585551852.db2.gz VVEDIOGOPBHDJU-UHFFFAOYSA-N 0 0 241.218 2.557 20 5 BFBDRN C/C=C(\C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000770528073 585575537 /nfs/dbraw/zinc/57/55/37/585575537.db2.gz XIFCIONBTLWMRW-XVNBXDOJSA-N 0 0 238.218 2.639 20 5 BFBDRN C[C@@H](SCC[N+](=O)[O-])c1ccc(F)cc1 ZINC000775191203 585673370 /nfs/dbraw/zinc/67/33/70/585673370.db2.gz FFAVNPRAMPUOIQ-MRVPVSSYSA-N 0 0 229.276 2.897 20 5 BFBDRN Cc1ccc(N2CCC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000776300592 585695131 /nfs/dbraw/zinc/69/51/31/585695131.db2.gz DDRMGIRFDBXZGG-UHFFFAOYSA-N 0 0 242.225 2.749 20 5 BFBDRN CC(=O)O[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000778742231 585740043 /nfs/dbraw/zinc/74/00/43/585740043.db2.gz KPLSGTSPSNCYDG-MRVPVSSYSA-N 0 0 223.228 2.527 20 5 BFBDRN C[C@H]1CC[C@@H](OC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000779265107 585749182 /nfs/dbraw/zinc/74/91/82/585749182.db2.gz QLKVAWFCIAHENI-VHSXEESVSA-N 0 0 249.266 2.940 20 5 BFBDRN Cc1c(C(=O)O[C@H]2C=CCC2)cccc1[N+](=O)[O-] ZINC000780556366 585780951 /nfs/dbraw/zinc/78/09/51/585780951.db2.gz DYAAZXOFOMBSJF-JTQLQIEISA-N 0 0 247.250 2.779 20 5 BFBDRN CCON(C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000780662386 585782764 /nfs/dbraw/zinc/78/27/64/585782764.db2.gz NUFWRORVQLQQBB-UHFFFAOYSA-N 0 0 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CCCCCC[C@H](C)C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813110117 586593186 /nfs/dbraw/zinc/59/31/86/586593186.db2.gz ZPFYWFONWDZTLS-WDEREUQCSA-N 0 0 245.319 2.801 20 5 BFBDRN Cc1ccc(C(=O)OC2CC(C)C2)cc1[N+](=O)[O-] ZINC000813230136 586597906 /nfs/dbraw/zinc/59/79/06/586597906.db2.gz KQZGKZNNIIOUIC-UHFFFAOYSA-N 0 0 249.266 2.859 20 5 BFBDRN CCON(C)c1nccc2ccc([N+](=O)[O-])cc21 ZINC000840290478 586603062 /nfs/dbraw/zinc/60/30/62/586603062.db2.gz GMCZNWVFGFPMRC-UHFFFAOYSA-N 0 0 247.254 2.531 20 5 BFBDRN Cc1ccoc1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000813623323 586604719 /nfs/dbraw/zinc/60/47/19/586604719.db2.gz GWKXSPBZSDULJQ-UHFFFAOYSA-N 0 0 247.254 2.691 20 5 BFBDRN C[C@@H](C[N+](=O)[O-])OC(=O)C1CCCCCCC1 ZINC000814038384 586612174 /nfs/dbraw/zinc/61/21/74/586612174.db2.gz CCCDBSHMYRKIJK-JTQLQIEISA-N 0 0 243.303 2.555 20 5 BFBDRN CCCC(=CC(=O)O[C@H](C)C[N+](=O)[O-])CCC ZINC000814047204 586613032 /nfs/dbraw/zinc/61/30/32/586613032.db2.gz MDOLURGOVFCZKT-SNVBAGLBSA-N 0 0 243.303 2.721 20 5 BFBDRN CCOCOc1cccc(Cl)c1[N+](=O)[O-] ZINC000814774216 586633085 /nfs/dbraw/zinc/63/30/85/586633085.db2.gz LADZFDZDNYVSAO-UHFFFAOYSA-N 0 0 231.635 2.621 20 5 BFBDRN CCC(=O)COc1cccc(Cl)c1[N+](=O)[O-] ZINC000814775036 586633251 /nfs/dbraw/zinc/63/32/51/586633251.db2.gz NIWBGHHHHIKABR-UHFFFAOYSA-N 0 0 243.646 2.606 20 5 BFBDRN O=[N+]([O-])c1c(Cl)cccc1OCCF ZINC000814773587 586633380 /nfs/dbraw/zinc/63/33/80/586633380.db2.gz LDYSKDBKTWRAKK-UHFFFAOYSA-N 0 0 219.599 2.597 20 5 BFBDRN CCC1(COC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000816184758 586712360 /nfs/dbraw/zinc/71/23/60/586712360.db2.gz NCRPRBFAUHVKAC-UHFFFAOYSA-N 0 0 249.266 2.942 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)OC1CCC1 ZINC000817719391 586820026 /nfs/dbraw/zinc/82/00/26/586820026.db2.gz GNWQSHNIHSIGNM-UHFFFAOYSA-N 0 0 249.266 2.921 20 5 BFBDRN C/C=C\CNC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000825008913 587298743 /nfs/dbraw/zinc/29/87/43/587298743.db2.gz DMJQYVUXEOGCTJ-PLNGDYQASA-N 0 0 248.282 2.518 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CC[C@@H]2C2CC2)cc1 ZINC000828610530 587453514 /nfs/dbraw/zinc/45/35/14/587453514.db2.gz KCTFKWYOAWLBRN-GFCCVEGCSA-N 0 0 218.256 2.584 20 5 BFBDRN CC(C)[C@@H]1CCN1c1ccc([N+](=O)[O-])cc1F ZINC000829047304 587480802 /nfs/dbraw/zinc/48/08/02/587480802.db2.gz OOHJTIDCBODEDX-NSHDSACASA-N 0 0 238.262 2.969 20 5 BFBDRN CCCCCCOC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835084930 587781601 /nfs/dbraw/zinc/78/16/01/587781601.db2.gz UWRFAKBTCOODAB-UHFFFAOYSA-N 0 0 245.319 2.945 20 5 BFBDRN C[C@H]1CC[C@@H](OC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000835281113 587794208 /nfs/dbraw/zinc/79/42/08/587794208.db2.gz YFZGSOUKDCYCQU-VHSXEESVSA-N 0 0 243.303 2.554 20 5 BFBDRN CCC[C@@H](C)OC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835342028 587797611 /nfs/dbraw/zinc/79/76/11/587797611.db2.gz ZCLIDTMUFCPEMX-SECBINFHSA-N 0 0 231.292 2.554 20 5 BFBDRN C[C@@H](C(=O)Oc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000837320615 587866344 /nfs/dbraw/zinc/86/63/44/587866344.db2.gz VDUKTKJMMVYYGN-SECBINFHSA-N 0 0 249.266 2.936 20 5 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CCON(CC)c1cc(C)c([N+](=O)[O-])cc1F ZINC000866307218 589485485 /nfs/dbraw/zinc/48/54/85/589485485.db2.gz UVBKAGKEBOZTGV-UHFFFAOYSA-N 0 0 242.250 2.820 20 5 BFBDRN C/C=C/COC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000122602203 589609047 /nfs/dbraw/zinc/60/90/47/589609047.db2.gz NYIZAEUZNPZCDT-ONEGZZNKSA-N 0 0 235.239 2.636 20 5 BFBDRN Cc1ccc([N+](=O)[O-])cc1OC(=O)C1=CCCC1 ZINC000123498856 589736897 /nfs/dbraw/zinc/73/68/97/589736897.db2.gz VPZONFXIRDASAK-UHFFFAOYSA-N 0 0 247.250 2.919 20 5 BFBDRN Cc1conc1COc1ccc(C)c([N+](=O)[O-])c1 ZINC000871662402 589784183 /nfs/dbraw/zinc/78/41/83/589784183.db2.gz CXYPRTXKJFTPJQ-UHFFFAOYSA-N 0 0 248.238 2.779 20 5 BFBDRN CCc1cnn(Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000871759432 589807935 /nfs/dbraw/zinc/80/79/35/589807935.db2.gz LPVLFBSMBSUPSR-UHFFFAOYSA-N 0 0 245.282 2.710 20 5 BFBDRN C[C@@H](OC(=O)[C@@H]1C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000873582934 590059896 /nfs/dbraw/zinc/05/98/96/590059896.db2.gz ZZBFECLCUVTYQO-IQJOONFLSA-N 0 0 249.266 2.855 20 5 BFBDRN 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CSC(C)(C)CNc1ccc([N+](=O)[O-])nc1 ZINC000128017656 590879904 /nfs/dbraw/zinc/87/99/04/590879904.db2.gz DOZYXIRWIUGESU-UHFFFAOYSA-N 0 0 241.316 2.543 20 5 BFBDRN O=[N+]([O-])c1cc(CN2CCC(F)CC2)cs1 ZINC000880242657 590975498 /nfs/dbraw/zinc/97/54/98/590975498.db2.gz HERIMUDMHLCYSL-UHFFFAOYSA-N 0 0 244.291 2.590 20 5 BFBDRN O=[N+]([O-])c1c(F)nccc1NCC1CCCC1 ZINC000881797230 591271748 /nfs/dbraw/zinc/27/17/48/591271748.db2.gz RUPRRKHDIFSAON-UHFFFAOYSA-N 0 0 239.250 2.731 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(Oc2cccnc2F)n1 ZINC000129351791 591283315 /nfs/dbraw/zinc/28/33/15/591283315.db2.gz LMWCSGRABJFMHO-UHFFFAOYSA-N 0 0 249.201 2.625 20 5 BFBDRN O=[N+]([O-])c1c(F)nccc1N[C@@H]1CC=CCC1 ZINC000881996632 591286130 /nfs/dbraw/zinc/28/61/30/591286130.db2.gz YMVWAZWYFYTGQW-MRVPVSSYSA-N 0 0 237.234 2.650 20 5 BFBDRN CC(C)(F)CCNc1ccnc(F)c1[N+](=O)[O-] ZINC000882618047 591400225 /nfs/dbraw/zinc/40/02/25/591400225.db2.gz FXIBTXKKEIXSMZ-UHFFFAOYSA-N 0 0 245.229 2.679 20 5 BFBDRN C/C=C/CNc1cccc([N+](=O)[O-])c1C(C)=O ZINC000882661474 591408055 /nfs/dbraw/zinc/40/80/55/591408055.db2.gz JDOWSBFAOKQEMM-ONEGZZNKSA-N 0 0 234.255 2.785 20 5 BFBDRN O=[N+]([O-])c1cccc(COc2ccc(F)nc2)c1 ZINC000129973522 591426329 /nfs/dbraw/zinc/42/63/29/591426329.db2.gz HDRYQDUMKMGWEG-UHFFFAOYSA-N 0 0 248.213 2.708 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CCC[C@H](CF)C2)cc1 ZINC000882800819 591442929 /nfs/dbraw/zinc/44/29/29/591442929.db2.gz QAYGATNGVKLZJY-SNVBAGLBSA-N 0 0 238.262 2.781 20 5 BFBDRN Cc1cccc(N2CCC(F)CC2)c1[N+](=O)[O-] ZINC000882805406 591444435 /nfs/dbraw/zinc/44/44/35/591444435.db2.gz DMHIYDLXPFTPOV-UHFFFAOYSA-N 0 0 238.262 2.842 20 5 BFBDRN O=[N+]([O-])c1sccc1N1CCC(F)CC1 ZINC000882804748 591445161 /nfs/dbraw/zinc/44/51/61/591445161.db2.gz WTAGWSZEUXNWDN-UHFFFAOYSA-N 0 0 230.264 2.595 20 5 BFBDRN Cc1cccc(N2CC[C@@H](CF)C2)c1[N+](=O)[O-] ZINC000882840334 591451032 /nfs/dbraw/zinc/45/10/32/591451032.db2.gz RDTRZAYBKVDLCP-JTQLQIEISA-N 0 0 238.262 2.699 20 5 BFBDRN Cc1ccc(N2CC[C@H](CF)C2)c([N+](=O)[O-])c1 ZINC000882841207 591452566 /nfs/dbraw/zinc/45/25/66/591452566.db2.gz PBGLSVLPZGOVJT-SNVBAGLBSA-N 0 0 238.262 2.699 20 5 BFBDRN O=[N+]([O-])c1ncccc1NCCC1CCC1 ZINC000130323205 591458615 /nfs/dbraw/zinc/45/86/15/591458615.db2.gz GFOGLLFZYDSRGR-UHFFFAOYSA-N 0 0 221.260 2.592 20 5 BFBDRN CC[C@H](C)C(=O)Oc1ccc(C)c([N+](=O)[O-])c1 ZINC000131721249 591648676 /nfs/dbraw/zinc/64/86/76/591648676.db2.gz XLYAAKSPGIWJCE-QMMMGPOBSA-N 0 0 237.255 2.855 20 5 BFBDRN CCCOC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000131925941 591678680 /nfs/dbraw/zinc/67/86/80/591678680.db2.gz FSDZNCFIHOIDSB-UHFFFAOYSA-N 0 0 243.646 2.815 20 5 BFBDRN Cc1ccc(OC(=O)[C@@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000131949137 591679735 /nfs/dbraw/zinc/67/97/35/591679735.db2.gz SQKGRDCMFGIPPF-JTQLQIEISA-N 0 0 249.266 2.855 20 5 BFBDRN O=C(NCCC1CCC1)c1ccccc1[N+](=O)[O-] ZINC000133283149 591784231 /nfs/dbraw/zinc/78/42/31/591784231.db2.gz OOJZFZWSOSDGMJ-UHFFFAOYSA-N 0 0 248.282 2.515 20 5 BFBDRN Cc1cc([N+](=O)[O-])cc(C(=O)OC(C)C)c1F ZINC000232671292 635513757 /nfs/dbraw/zinc/51/37/57/635513757.db2.gz MIEXMAPRODFNRB-UHFFFAOYSA-N 0 0 241.218 2.608 20 5 BFBDRN CC[C@H](C)OC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000121657614 631639591 /nfs/dbraw/zinc/63/95/91/631639591.db2.gz SPQSRMRXQCJFCD-VIFPVBQESA-N 0 0 237.255 2.859 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CC[C@H](F)C2)c(Cl)c1 ZINC000309260942 631982601 /nfs/dbraw/zinc/98/26/01/631982601.db2.gz VHHPJHKBWMAWRY-ZETCQYMHSA-N 0 0 244.653 2.796 20 5 BFBDRN C/C=C(/C)C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000255668095 632684909 /nfs/dbraw/zinc/68/49/09/632684909.db2.gz PGTGWGCXKYKRGH-CLTKARDFSA-N 0 0 238.218 2.639 20 5 BFBDRN CCC[C@@H](C)OC(=O)c1ccccc1[N+](=O)[O-] ZINC000177739981 632871618 /nfs/dbraw/zinc/87/16/18/632871618.db2.gz PNYRDWSPWDNFHA-SECBINFHSA-N 0 0 237.255 2.940 20 5 BFBDRN CCSCc1cccc(NCC[N+](=O)[O-])c1 ZINC000905326428 637755802 /nfs/dbraw/zinc/75/58/02/637755802.db2.gz USHUZLSBGKSXOZ-UHFFFAOYSA-N 0 0 240.328 2.628 20 5 BFBDRN CC(C)c1nc2cc(NCC[N+](=O)[O-])ccc2o1 ZINC000905303774 637761388 /nfs/dbraw/zinc/76/13/88/637761388.db2.gz MJEJFIUZDJVQPM-UHFFFAOYSA-N 0 0 249.270 2.640 20 5 BFBDRN O=[N+]([O-])CCNc1ccc2c3c(cccc31)CC2 ZINC000905301373 637763170 /nfs/dbraw/zinc/76/31/70/637763170.db2.gz PYFBQUXOWAFDPP-UHFFFAOYSA-N 0 0 242.278 2.627 20 5 BFBDRN O=[N+]([O-])CCNc1cccc(NC2CCCC2)c1 ZINC000905331513 637781291 /nfs/dbraw/zinc/78/12/91/637781291.db2.gz XEADOOQFEHZDFQ-UHFFFAOYSA-N 0 0 249.314 2.730 20 5 BFBDRN O=Cc1ccc(Oc2ccc([N+](=O)[O-])nc2)cc1 ZINC000912731606 640189807 /nfs/dbraw/zinc/18/98/07/640189807.db2.gz IBEIAFLVNLIKEP-UHFFFAOYSA-N 0 0 244.206 2.595 20 5 BFBDRN O=[N+]([O-])c1ccc(Cl)cc1NCC(F)F ZINC000228417870 640874087 /nfs/dbraw/zinc/87/40/87/640874087.db2.gz JQOBMZDYAJUMGY-UHFFFAOYSA-N 0 0 236.605 2.925 20 5 BFBDRN O=[N+]([O-])c1cc(NCC2CCC2)ccc1F ZINC000087584545 640933230 /nfs/dbraw/zinc/93/32/30/640933230.db2.gz DOSQQQVOTZNWNL-UHFFFAOYSA-N 0 0 224.235 2.946 20 5 BFBDRN C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000171494501 640984803 /nfs/dbraw/zinc/98/48/03/640984803.db2.gz PANOEHDKFIFGIW-MRVPVSSYSA-N 0 0 235.239 2.550 20 5 BFBDRN CC[C@H](C)OC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000173575463 641185124 /nfs/dbraw/zinc/18/51/24/641185124.db2.gz VFNFGIVVEDDNKD-VIFPVBQESA-N 0 0 237.255 2.859 20 5 BFBDRN CCOCCCOc1cc(F)ccc1[N+](=O)[O-] ZINC000088055565 641293241 /nfs/dbraw/zinc/29/32/41/641293241.db2.gz CEXKRNDDKRXVFB-UHFFFAOYSA-N 0 0 243.234 2.539 20 5 BFBDRN Cc1cc(C(=O)OCC2CCC2)ccc1[N+](=O)[O-] ZINC000174526408 641299524 /nfs/dbraw/zinc/29/95/24/641299524.db2.gz VEVYJSULMRZNEP-UHFFFAOYSA-N 0 0 249.266 2.860 20 5 BFBDRN Cc1ncc(COc2ccc([N+](=O)[O-])c(C)c2)o1 ZINC000916153158 641913842 /nfs/dbraw/zinc/91/38/42/641913842.db2.gz CJQVXFSCCAERLU-UHFFFAOYSA-N 0 0 248.238 2.779 20 5 BFBDRN O=[N+]([O-])c1ccc(NCCOC2CCC2)s1 ZINC000078516924 641929843 /nfs/dbraw/zinc/92/98/43/641929843.db2.gz YDXOTKNEULZQAK-UHFFFAOYSA-N 0 0 242.300 2.637 20 5 BFBDRN O=[N+]([O-])c1ncccc1N1CCCCCCC1 ZINC000916977504 641989815 /nfs/dbraw/zinc/98/98/15/641989815.db2.gz TXURNHSLIJXNFH-UHFFFAOYSA-N 0 0 235.287 2.760 20 5 BFBDRN O=Cc1cccc(Oc2cccnc2[N+](=O)[O-])c1 ZINC000916969549 641989818 /nfs/dbraw/zinc/98/98/18/641989818.db2.gz BLVKRVVLTIYHLZ-UHFFFAOYSA-N 0 0 244.206 2.595 20 5 BFBDRN Cc1cc(Cn2ccnc2[N+](=O)[O-])c(C)s1 ZINC000918360221 642190332 /nfs/dbraw/zinc/19/03/32/642190332.db2.gz QKWBLLQHWKGCPE-UHFFFAOYSA-N 0 0 237.284 2.518 20 5 BFBDRN CCc1ccccc1CCn1ccnc1[N+](=O)[O-] ZINC000918379178 642192432 /nfs/dbraw/zinc/19/24/32/642192432.db2.gz VKYHYOBAMMLUAL-UHFFFAOYSA-N 0 0 245.282 2.596 20 5 BFBDRN CCC/C=C\C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000919243724 642315786 /nfs/dbraw/zinc/31/57/86/642315786.db2.gz URGPUEKRBAPJKC-YWEYNIOJSA-N 0 0 249.266 2.994 20 5 BFBDRN CCC/C=C\C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000920740699 642534188 /nfs/dbraw/zinc/53/41/88/642534188.db2.gz REPZWYSNUSMYCD-PLNGDYQASA-N 0 0 248.282 2.567 20 5 BFBDRN O=[N+]([O-])c1ccc(Cl)c(OCCF)c1 ZINC000086453385 644138340 /nfs/dbraw/zinc/13/83/40/644138340.db2.gz CZZAOELBVNQAPD-UHFFFAOYSA-N 0 0 219.599 2.597 20 5 BFBDRN CC/C=C(\C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000194954804 644353982 /nfs/dbraw/zinc/35/39/82/644353982.db2.gz DJDVCNHBYKALQO-BJMVGYQFSA-N 0 0 248.282 2.567 20 5 BFBDRN Cc1ccc([N+](=O)[O-])cc1OC(=O)C=C1CCC1 ZINC000087167513 644479961 /nfs/dbraw/zinc/47/99/61/644479961.db2.gz HGZMOKMODLUJGG-UHFFFAOYSA-N 0 0 247.250 2.919 20 5 BFBDRN Cc1ccc(CNc2nccs2)cc1[N+](=O)[O-] ZINC000091527834 644629450 /nfs/dbraw/zinc/62/94/50/644629450.db2.gz SEPPHNPOETXWPI-UHFFFAOYSA-N 0 0 249.295 2.972 20 5 BFBDRN CCCC(=O)OCc1ccc([N+](=O)[O-])c(F)c1 ZINC000782008116 644737148 /nfs/dbraw/zinc/73/71/48/644737148.db2.gz NGQGIPDPHVTGGS-UHFFFAOYSA-N 0 0 241.218 2.577 20 5 BFBDRN C[C@@]1(C(=O)Nc2cccc([N+](=O)[O-])c2)C=CCC1 ZINC000929132123 645962717 /nfs/dbraw/zinc/96/27/17/645962717.db2.gz CWSDJJKIXOCHHF-CYBMUJFWSA-N 0 0 246.266 2.890 20 5 BFBDRN CC1(C(=O)Nc2cccc([N+](=O)[O-])c2)CC=CC1 ZINC000929132260 645964457 /nfs/dbraw/zinc/96/44/57/645964457.db2.gz FTHPTTIANMTKKU-UHFFFAOYSA-N 0 0 246.266 2.890 20 5 BFBDRN CCC[N@H+](CC[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000929383895 646104738 /nfs/dbraw/zinc/10/47/38/646104738.db2.gz YEVRVOWFMZIDQU-AWEZNQCLSA-N 0 0 248.326 2.663 20 5 BFBDRN CC(C)[C@@H]1c2ccccc2CC[N@H+]1CC[N+](=O)[O-] ZINC000929840793 646352353 /nfs/dbraw/zinc/35/23/53/646352353.db2.gz HIZSUGQSDQBRRX-CQSZACIVSA-N 0 0 248.326 2.519 20 5 BFBDRN CC[C@H](C)OC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000729079314 711790444 /nfs/dbraw/zinc/79/04/44/711790444.db2.gz WXTZGDULXZDZMI-LURJTMIESA-N 0 0 243.284 2.920 20 5 BFBDRN C[C@@H]1CC[C@H]1Nc1cccc(F)c1[N+](=O)[O-] ZINC000309279061 711696278 /nfs/dbraw/zinc/69/62/78/711696278.db2.gz HMNCUZHDLBSRKP-VXNVDRBHSA-N 0 0 224.235 2.944 20 5 BFBDRN COc1cccc(N[C@H]2CC23CCC3)c1[N+](=O)[O-] ZINC000721268820 711863594 /nfs/dbraw/zinc/86/35/94/711863594.db2.gz GPXGOVJNHJJNQX-NSHDSACASA-N 0 0 248.282 2.958 20 5 BFBDRN CC[C@H](C)C(=O)Oc1cc([N+](=O)[O-])ccc1C ZINC000079202950 711958117 /nfs/dbraw/zinc/95/81/17/711958117.db2.gz IWEQCJRUYHHNAY-QMMMGPOBSA-N 0 0 237.255 2.855 20 5 BFBDRN CC[C@@H](C[C@H](C)O)Nc1ccc([N+](=O)[O-])cc1 ZINC000716893069 712580839 /nfs/dbraw/zinc/58/08/39/712580839.db2.gz XBDWWPPWHABTGM-UWVGGRQHSA-N 0 0 238.287 2.556 20 5 BFBDRN Cc1cnc(N(C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000820624546 712590869 /nfs/dbraw/zinc/59/08/69/712590869.db2.gz QWIWMQGAPYKABZ-UHFFFAOYSA-N 0 0 247.254 2.528 20 5 BFBDRN Cc1cccc(OCCOC(F)F)c1[N+](=O)[O-] ZINC000853019582 712613142 /nfs/dbraw/zinc/61/31/42/712613142.db2.gz VXWJBZFPJSMKMO-UHFFFAOYSA-N 0 0 247.197 2.521 20 5 BFBDRN CC1(Nc2ncccc2[N+](=O)[O-])CC(F)(F)C1 ZINC000720959068 712883019 /nfs/dbraw/zinc/88/30/19/712883019.db2.gz CKNKHSWTUSIAON-UHFFFAOYSA-N 0 0 243.213 2.590 20 5 BFBDRN CC[C@H](C)Oc1ccnc(Cl)c1[N+](=O)[O-] ZINC000710633233 962427256 /nfs/dbraw/zinc/42/72/56/962427256.db2.gz YIHHYBPVJNPCAF-LURJTMIESA-N 0 0 230.651 2.821 20 5 BFBDRN CCCC[C@H](CC)Oc1ncncc1[N+](=O)[O-] ZINC001228657699 976411348 /nfs/dbraw/zinc/41/13/48/976411348.db2.gz PVJMKZZKEPBGPZ-VIFPVBQESA-N 0 0 239.275 2.732 20 5 BFBDRN CC(C)(C)CC(C)(C)C(=O)OCCC[N+](=O)[O-] ZINC001344225487 980357678 /nfs/dbraw/zinc/35/76/78/980357678.db2.gz SCWFJGJVGJXXBB-UHFFFAOYSA-N 0 0 245.319 2.659 20 5 BFBDRN C[C@H](Oc1cccc([N+](=O)[O-])c1F)C1CC1 ZINC001225794065 974684428 /nfs/dbraw/zinc/68/44/28/974684428.db2.gz HKHFJLLSBPLWLS-ZETCQYMHSA-N 0 0 225.219 2.911 20 5 BFBDRN CCO[C@@H](C)COCc1ccc([N+](=O)[O-])cc1 ZINC001222791781 972698184 /nfs/dbraw/zinc/69/81/84/972698184.db2.gz VMUZZABXZJAHCO-JTQLQIEISA-N 0 0 239.271 2.536 20 5 BFBDRN CSCCOc1cc([N+](=O)[O-])c(F)cc1F ZINC001328044473 972862503 /nfs/dbraw/zinc/86/25/03/972862503.db2.gz IHCMMOFIJKUTQU-UHFFFAOYSA-N 0 0 249.238 2.615 20 5 BFBDRN Cc1cccc([N+](=O)[O-])c1COC(C)C ZINC001223535112 973124610 /nfs/dbraw/zinc/12/46/10/973124610.db2.gz DILHZLDNJVEQMT-UHFFFAOYSA-N 0 0 209.245 2.828 20 5 BFBDRN Cc1nccnc1Nc1cc(F)cc([N+](=O)[O-])c1 ZINC001216480620 971093406 /nfs/dbraw/zinc/09/34/06/971093406.db2.gz HLFIMHYUDBGXML-UHFFFAOYSA-N 0 0 248.217 2.576 20 5 BFBDRN Cc1conc1Nc1cc(F)cc([N+](=O)[O-])c1 ZINC001216480929 971091930 /nfs/dbraw/zinc/09/19/30/971091930.db2.gz OLRIFDUUZPBKIP-UHFFFAOYSA-N 0 0 237.190 2.774 20 5 BFBDRN Cc1ccnnc1Nc1cc(F)cc([N+](=O)[O-])c1 ZINC001216482190 971094969 /nfs/dbraw/zinc/09/49/69/971094969.db2.gz AHOGXUFUICSKDA-UHFFFAOYSA-N 0 0 248.217 2.576 20 5 BFBDRN C[C@H]1CCC[C@H]1Oc1ccc(N)c([N+](=O)[O-])c1 ZINC001218021700 971571728 /nfs/dbraw/zinc/57/17/28/971571728.db2.gz RXVFZEFXJJXNCY-QPUJVOFHSA-N 0 0 236.271 2.744 20 5 BFBDRN CCCC=Nc1nc(C)ccc1[N+](=O)[O-] ZINC001170768167 971770126 /nfs/dbraw/zinc/77/01/26/971770126.db2.gz RPPFCTUEEDCENM-QPJJXVBHSA-N 0 0 207.233 2.634 20 5 BFBDRN CC[C@@H](COc1cccc(F)c1[N+](=O)[O-])OC ZINC001225668425 974634673 /nfs/dbraw/zinc/63/46/73/974634673.db2.gz ZYMGYRMPQQSOGM-QMMMGPOBSA-N 0 0 243.234 2.538 20 5 BFBDRN 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BFBDRN C[C@@H]1CCCC[C@H]1Oc1ccc([N+](=O)[O-])cn1 ZINC001225633566 962459390 /nfs/dbraw/zinc/45/93/90/962459390.db2.gz QHRORTYSKHMFIN-MWLCHTKSSA-N 0 0 236.271 2.947 20 5 BFBDRN Cc1cc(O[C@@H]2CC[C@H](C)C2)ncc1[N+](=O)[O-] ZINC001225660137 962565667 /nfs/dbraw/zinc/56/56/67/962565667.db2.gz CHJBRMQMTUMYOS-WCBMZHEXSA-N 0 0 236.271 2.866 20 5 BFBDRN O=[N+]([O-])c1c(Cl)ccnc1NC1CC(F)C1 ZINC001154832988 962865538 /nfs/dbraw/zinc/86/55/38/962865538.db2.gz MQZAADHXZVEMHB-UHFFFAOYSA-N 0 0 245.641 2.556 20 5 BFBDRN CC(C)CNc1c(Cl)nccc1[N+](=O)[O-] ZINC001161644664 962972705 /nfs/dbraw/zinc/97/27/05/962972705.db2.gz DYGGGVPJVCVTOZ-UHFFFAOYSA-N 0 0 229.667 2.711 20 5 BFBDRN Cc1nc(NC(=N)C(C)(C)C)ccc1[N+](=O)[O-] ZINC001155176163 962999443 /nfs/dbraw/zinc/99/94/43/962999443.db2.gz RTEIPTCOSOMCCT-UHFFFAOYSA-N 0 0 236.275 2.733 20 5 BFBDRN C[C@H](Oc1ccc([N+](=O)[O-])nc1)c1ccncc1 ZINC001226710233 963310524 /nfs/dbraw/zinc/31/05/24/963310524.db2.gz PQZPRPCTEVUXLE-VIFPVBQESA-N 0 0 245.238 2.525 20 5 BFBDRN 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CCCC=Nc1ncc(C)cc1[N+](=O)[O-] ZINC001159662585 964138411 /nfs/dbraw/zinc/13/84/11/964138411.db2.gz UWSGJIRYEXJBRR-SNAWJCMRSA-N 0 0 207.233 2.634 20 5 BFBDRN CCC1(Nc2cccc([N+](=O)[O-])n2)CCC1 ZINC001161558405 964637323 /nfs/dbraw/zinc/63/73/23/964637323.db2.gz FAPZZDWHFCDSCV-UHFFFAOYSA-N 0 0 221.260 2.734 20 5 BFBDRN CC(C)CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001161647264 964663518 /nfs/dbraw/zinc/66/35/18/964663518.db2.gz UAPMHRODENEJCZ-UHFFFAOYSA-N 0 0 249.314 2.937 20 5 BFBDRN CC(C)CNc1ncc2cccc([N+](=O)[O-])c2n1 ZINC001161647306 964664346 /nfs/dbraw/zinc/66/43/46/964664346.db2.gz WMNGOBOAYRAMCF-UHFFFAOYSA-N 0 0 246.270 2.606 20 5 BFBDRN O=[N+]([O-])c1cc(NC2CSC2)cc2cc[nH]c21 ZINC001168364385 964684255 /nfs/dbraw/zinc/68/42/55/964684255.db2.gz CLUDHNSICALSIL-UHFFFAOYSA-N 0 0 249.295 2.603 20 5 BFBDRN C/C=C(/CC)C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000588568851 964960192 /nfs/dbraw/zinc/96/01/92/964960192.db2.gz JSQNTTHXDTYUNU-JYOAFUTRSA-N 0 0 249.266 2.994 20 5 BFBDRN 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Cc1nc(CNc2cc([N+](=O)[O-])ccc2C)co1 ZINC000582132138 346987919 /nfs/dbraw/zinc/98/79/19/346987919.db2.gz BZJNILJCKHCQLR-UHFFFAOYSA-N 0 0 247.254 2.812 20 5 BFBDRN CCC(CC)Nc1cccnc1[N+](=O)[O-] ZINC000156937103 343877595 /nfs/dbraw/zinc/87/75/95/343877595.db2.gz UHXZZCQPZRRQNU-UHFFFAOYSA-N 0 0 209.249 2.590 20 5 BFBDRN CC(C)CCOc1ccc(C=O)cc1[N+](=O)[O-] ZINC000020385229 537833786 /nfs/dbraw/zinc/83/37/86/537833786.db2.gz NQOYNXHAXDDHOY-UHFFFAOYSA-N 0 0 237.255 2.832 20 5 BFBDRN Cc1c([N+](=O)[O-])ccc(=O)n1CC1=CCCCC1 ZINC000334575731 343893022 /nfs/dbraw/zinc/89/30/22/343893022.db2.gz ASJBVJMAJCSQNF-UHFFFAOYSA-N 0 0 248.282 2.565 20 5 BFBDRN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](F)C1 ZINC000334700575 343904058 /nfs/dbraw/zinc/90/40/58/343904058.db2.gz KCMRGOYJJTXBHZ-ZJUUUORDSA-N 0 0 238.262 2.700 20 5 BFBDRN O=[N+]([O-])c1cnn(CCC2CCCCC2)c1 ZINC000610286048 343939940 /nfs/dbraw/zinc/93/99/40/343939940.db2.gz OFICUQQNUXKLBG-UHFFFAOYSA-N 0 0 223.276 2.762 20 5 BFBDRN C[C@@H]1CCN(c2ccc([N+](=O)[O-])s2)[C@@H]1C ZINC000610588364 343971384 /nfs/dbraw/zinc/97/13/84/343971384.db2.gz GSEIFKHKODBLFZ-HTQZYQBOSA-N 0 0 226.301 2.891 20 5 BFBDRN C[C@H]1CN(c2ccsc2[N+](=O)[O-])C[C@H]1C ZINC000610587331 343973725 /nfs/dbraw/zinc/97/37/25/343973725.db2.gz ICSQBAXQGQZHOQ-OCAPTIKFSA-N 0 0 226.301 2.749 20 5 BFBDRN C[C@H]1CCN(c2ccncc2[N+](=O)[O-])C[C@H](C)C1 ZINC000611031046 344232511 /nfs/dbraw/zinc/23/25/11/344232511.db2.gz DBZXPRLOXARMSB-WDEREUQCSA-N 0 0 249.314 2.862 20 5 BFBDRN O=[N+]([O-])c1cnccc1N1CCC[C@@H](C2CC2)C1 ZINC000588854778 344195663 /nfs/dbraw/zinc/19/56/63/344195663.db2.gz LBPHJOVIWMSRIB-LLVKDONJSA-N 0 0 247.298 2.616 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CCC[C@H](C3CC3)C2)cn1 ZINC000588855195 344195670 /nfs/dbraw/zinc/19/56/70/344195670.db2.gz XBQAXNRBULRQRE-NSHDSACASA-N 0 0 247.298 2.616 20 5 BFBDRN CC1CC(C(=O)N(C)c2cccc([N+](=O)[O-])c2)C1 ZINC000611090713 344246175 /nfs/dbraw/zinc/24/61/75/344246175.db2.gz BSFUOUKYMWOJEY-UHFFFAOYSA-N 0 0 248.282 2.604 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Cc1nn(C2CCCC2)c2ncc([N+](=O)[O-])cc12 ZINC000603419231 344514213 /nfs/dbraw/zinc/51/42/13/344514213.db2.gz BINXVTVXLHUOMN-UHFFFAOYSA-N 0 0 246.270 2.763 20 5 BFBDRN O=[N+]([O-])c1ccsc1N1C2CCC1CC2 ZINC000611411334 344573581 /nfs/dbraw/zinc/57/35/81/344573581.db2.gz GZTFQDMNEZVZMA-UHFFFAOYSA-N 0 0 224.285 2.788 20 5 BFBDRN O=[N+]([O-])c1cccnc1N[C@H]1CC12CCCC2 ZINC000395646354 344549657 /nfs/dbraw/zinc/54/96/57/344549657.db2.gz NOVOQEYEOJAIIK-JTQLQIEISA-N 0 0 233.271 2.734 20 5 BFBDRN CC1=CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000611414767 344588056 /nfs/dbraw/zinc/58/80/56/344588056.db2.gz XTOPWRBIHYAGBU-UHFFFAOYSA-N 0 0 224.285 2.813 20 5 BFBDRN C[C@H]1CN(c2sccc2[N+](=O)[O-])C[C@@H]1C ZINC000611412721 344603425 /nfs/dbraw/zinc/60/34/25/344603425.db2.gz HCBMJTFVRZLKRH-YUMQZZPRSA-N 0 0 226.301 2.749 20 5 BFBDRN CCn1cc(Nc2sccc2[N+](=O)[O-])cn1 ZINC000611411557 344607508 /nfs/dbraw/zinc/60/75/08/344607508.db2.gz BACDHKXWGPLWOM-UHFFFAOYSA-N 0 0 238.272 2.616 20 5 BFBDRN C[C@H]1CC[C@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000230430658 344679641 /nfs/dbraw/zinc/67/96/41/344679641.db2.gz KNRDSWBEKPMIOK-UWVGGRQHSA-N 0 0 235.287 2.838 20 5 BFBDRN C[C@@H]1CC[C@H](CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000230431089 344679687 /nfs/dbraw/zinc/67/96/87/344679687.db2.gz POKFHVIVAIMNMF-ZJUUUORDSA-N 0 0 235.287 2.838 20 5 BFBDRN C[C@@H]1C[C@@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000158734102 344735078 /nfs/dbraw/zinc/73/50/78/344735078.db2.gz LLLXYARVXKUDMM-RNFRBKRXSA-N 0 0 241.678 2.711 20 5 BFBDRN C[C@@H]1CCN(c2sccc2[N+](=O)[O-])C[C@@H]1F ZINC000611494032 344745753 /nfs/dbraw/zinc/74/57/53/344745753.db2.gz BLJNGOVGENCTJQ-SFYZADRCSA-N 0 0 244.291 2.841 20 5 BFBDRN CC[C@H]1C[C@@H](C)CN1c1ccc([N+](=O)[O-])cn1 ZINC000075065917 344764457 /nfs/dbraw/zinc/76/44/57/344764457.db2.gz DLTAZSJTHOVBBO-ZJUUUORDSA-N 0 0 235.287 2.615 20 5 BFBDRN CC[C@H]1C[C@H](C)CN1c1ncccc1[N+](=O)[O-] ZINC000075065851 344764633 /nfs/dbraw/zinc/76/46/33/344764633.db2.gz HRGKDFBRPHJLOG-UWVGGRQHSA-N 0 0 235.287 2.615 20 5 BFBDRN Cc1cc(N2C[C@@H](C)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000074724758 344753969 /nfs/dbraw/zinc/75/39/69/344753969.db2.gz RZONMKTZFASSJM-UWVGGRQHSA-N 0 0 249.314 2.781 20 5 BFBDRN Cc1cc(N2CCCC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000074725162 344753974 /nfs/dbraw/zinc/75/39/74/344753974.db2.gz SXHDXVJPYOEBAN-JTQLQIEISA-N 0 0 235.287 2.677 20 5 BFBDRN CCCCN(CC)c1cc(C)c([N+](=O)[O-])cn1 ZINC000074725174 344754015 /nfs/dbraw/zinc/75/40/15/344754015.db2.gz HANFPALSSVAJGC-UHFFFAOYSA-N 0 0 237.303 2.925 20 5 BFBDRN Cc1cc(N2CCC(C)(C)C2)ncc1[N+](=O)[O-] ZINC000074768237 344755410 /nfs/dbraw/zinc/75/54/10/344755410.db2.gz USUSSXXSIHVPPK-UHFFFAOYSA-N 0 0 235.287 2.535 20 5 BFBDRN Cc1cc([N+](=O)[O-])cnc1N1CCCCCC1 ZINC000076663849 344805257 /nfs/dbraw/zinc/80/52/57/344805257.db2.gz WPIUTDRMJJJGMW-UHFFFAOYSA-N 0 0 235.287 2.679 20 5 BFBDRN Cc1cc([N+](=O)[O-])cnc1N1CCC(C)CC1 ZINC000076664179 344805281 /nfs/dbraw/zinc/80/52/81/344805281.db2.gz NMFWMXXSMZAALY-UHFFFAOYSA-N 0 0 235.287 2.535 20 5 BFBDRN CCC1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000076872612 344807639 /nfs/dbraw/zinc/80/76/39/344807639.db2.gz MQTOQWPVZKOTRT-UHFFFAOYSA-N 0 0 235.287 2.616 20 5 BFBDRN C[C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000077227002 344818765 /nfs/dbraw/zinc/81/87/65/344818765.db2.gz YEEVOYNTKJNHLN-NXEZZACHSA-N 0 0 235.287 2.615 20 5 BFBDRN Cc1cnc(N(CC(C)C)C2CC2)c([N+](=O)[O-])c1 ZINC000078629408 344890693 /nfs/dbraw/zinc/89/06/93/344890693.db2.gz HVFYNVUAAMYVQV-UHFFFAOYSA-N 0 0 249.314 2.923 20 5 BFBDRN C[C@@H]1C[C@H]1COc1ccc([N+](=O)[O-])cc1 ZINC000166663145 344953880 /nfs/dbraw/zinc/95/38/80/344953880.db2.gz GUSDTTWUOWIVKV-BDAKNGLRSA-N 0 0 207.229 2.630 20 5 BFBDRN C[C@@H]1C[C@@H]1COc1ccc([N+](=O)[O-])cc1 ZINC000166662930 344954126 /nfs/dbraw/zinc/95/41/26/344954126.db2.gz GUSDTTWUOWIVKV-RKDXNWHRSA-N 0 0 207.229 2.630 20 5 BFBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000044497400 345096077 /nfs/dbraw/zinc/09/60/77/345096077.db2.gz PKAXJHFTDJKTEA-SECBINFHSA-N 0 0 246.270 2.501 20 5 BFBDRN Cc1cccc([N+](=O)[O-])c1N[C@H]1CC12CC2 ZINC000425276981 192086809 /nfs/dbraw/zinc/08/68/09/192086809.db2.gz WTUVQFSROWTZQO-JTQLQIEISA-N 0 0 218.256 2.868 20 5 BFBDRN COc1cc(F)c([N+](=O)[O-])c(NCC(C)C)c1 ZINC000080530551 345282776 /nfs/dbraw/zinc/28/27/76/345282776.db2.gz GOKGIKLEYYULBV-UHFFFAOYSA-N 0 0 242.250 2.810 20 5 BFBDRN CO[C@@H](CNc1ccccc1[N+](=O)[O-])C(C)C ZINC000080697156 345441533 /nfs/dbraw/zinc/44/15/33/345441533.db2.gz MWOXKHVQHSZZQU-LBPRGKRZSA-N 0 0 238.287 2.678 20 5 BFBDRN CCCN(C)c1cc(C)ccc1[N+](=O)[O-] ZINC000088716150 345544267 /nfs/dbraw/zinc/54/42/67/345544267.db2.gz NKRGJRSRXSRDNG-UHFFFAOYSA-N 0 0 208.261 2.749 20 5 BFBDRN CC[C@H](C)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000091485429 345595089 /nfs/dbraw/zinc/59/50/89/345595089.db2.gz MYAYDJHWSFDNGI-VIFPVBQESA-N 0 0 208.261 2.830 20 5 BFBDRN COCCCCNc1c(F)cccc1[N+](=O)[O-] ZINC000116129255 345677017 /nfs/dbraw/zinc/67/70/17/345677017.db2.gz LHDZTUOSQBAECE-UHFFFAOYSA-N 0 0 242.250 2.572 20 5 BFBDRN C[C@@H](O)CCCSc1cccc([N+](=O)[O-])c1 ZINC000142233613 345705236 /nfs/dbraw/zinc/70/52/36/345705236.db2.gz UBCWERVFLSZHJK-SECBINFHSA-N 0 0 241.312 2.848 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(NC2CC(C)C2)n1 ZINC000133064682 178929460 /nfs/dbraw/zinc/92/94/60/178929460.db2.gz IPJJOUDKABNCCU-UHFFFAOYSA-N 0 0 221.260 2.509 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(NC[C@H]2CC23CC3)n1 ZINC000418989454 192091717 /nfs/dbraw/zinc/09/17/17/192091717.db2.gz JUYSYUPBTPSBPZ-SECBINFHSA-N 0 0 233.271 2.510 20 5 BFBDRN COc1cc(NC[C@@H]2CC23CC3)ccc1[N+](=O)[O-] ZINC000418988185 192091818 /nfs/dbraw/zinc/09/18/18/192091818.db2.gz IFNAGEWJSRBWOZ-VIFPVBQESA-N 0 0 248.282 2.815 20 5 BFBDRN Cc1ccc([N+](=O)[O-])cc1OCC(=O)C1CCC1 ZINC000277974223 178933308 /nfs/dbraw/zinc/93/33/08/178933308.db2.gz LSDCVPHNNCWYHB-UHFFFAOYSA-N 0 0 249.266 2.651 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC=CCC2)n1 ZINC000162637559 178930869 /nfs/dbraw/zinc/93/08/69/178930869.db2.gz JVEYOMBJANCVLU-SNVBAGLBSA-N 0 0 233.271 2.819 20 5 BFBDRN COc1cccc(NC[C@@H]2CC23CC3)c1[N+](=O)[O-] ZINC000418975873 192093292 /nfs/dbraw/zinc/09/32/92/192093292.db2.gz HYJMNIODQPPTEH-VIFPVBQESA-N 0 0 248.282 2.815 20 5 BFBDRN C[C@H]1C[C@@H]1CNc1cccc([N+](=O)[O-])c1 ZINC000167131518 346198824 /nfs/dbraw/zinc/19/88/24/346198824.db2.gz PJNMBFBVGCSZGI-DTWKUNHWSA-N 0 0 206.245 2.663 20 5 BFBDRN O=[N+]([O-])c1cccc(-c2nc3cc[nH]cc-3n2)c1 ZINC000034244516 346233545 /nfs/dbraw/zinc/23/35/45/346233545.db2.gz GYZSMDFIKSQQNB-UHFFFAOYSA-N 0 0 240.222 2.533 20 5 BFBDRN C[C@H]1CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000616057687 346299517 /nfs/dbraw/zinc/29/95/17/346299517.db2.gz ZWROYPIQXJMFME-VIFPVBQESA-N 0 0 243.266 2.742 20 5 BFBDRN CC(C)CCNc1ncc(F)cc1[N+](=O)[O-] ZINC000401187191 346396811 /nfs/dbraw/zinc/39/68/11/346396811.db2.gz NBZRPAAPGXEGOW-UHFFFAOYSA-N 0 0 227.239 2.587 20 5 BFBDRN C[C@@H]1CCCC[C@H]1Nc1cccnc1[N+](=O)[O-] ZINC000159283506 349962076 /nfs/dbraw/zinc/96/20/76/349962076.db2.gz WIZGMOHCBLNNMS-NXEZZACHSA-N 0 0 235.287 2.980 20 5 BFBDRN Cc1nocc1COc1cccc([N+](=O)[O-])c1C ZINC000580150505 346562673 /nfs/dbraw/zinc/56/26/73/346562673.db2.gz WDYSYSSPRKKPRL-UHFFFAOYSA-N 0 0 248.238 2.779 20 5 BFBDRN O=[N+]([O-])c1ccsc1N1CCC[C@H](F)C1 ZINC000588040231 346627860 /nfs/dbraw/zinc/62/78/60/346627860.db2.gz VMRJSUDOFJLBTI-ZETCQYMHSA-N 0 0 230.264 2.595 20 5 BFBDRN Cc1cccc(N2CCC[C@@H]3C[C@@H]32)c1[N+](=O)[O-] ZINC000588065826 346630945 /nfs/dbraw/zinc/63/09/45/346630945.db2.gz DAMAHNVIAGUDRL-PWSUYJOCSA-N 0 0 232.283 2.892 20 5 BFBDRN Cc1cc(N2CCC[C@@H]3C[C@@H]32)ccc1[N+](=O)[O-] ZINC000588066344 346631336 /nfs/dbraw/zinc/63/13/36/346631336.db2.gz LOFHMKKBFQEBCF-MFKMUULPSA-N 0 0 232.283 2.892 20 5 BFBDRN CCC[C@@H](CCO)Nc1sccc1[N+](=O)[O-] ZINC000601213184 346704977 /nfs/dbraw/zinc/70/49/77/346704977.db2.gz YCKRPELNICERNY-QMMMGPOBSA-N 0 0 244.316 2.619 20 5 BFBDRN COc1cccc(N2CCC3(CC3)C2)c1[N+](=O)[O-] ZINC000589599253 346718200 /nfs/dbraw/zinc/71/82/00/346718200.db2.gz AOMLUWPHKYEACM-UHFFFAOYSA-N 0 0 248.282 2.594 20 5 BFBDRN Cc1cc(N2CC(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000589695734 346727469 /nfs/dbraw/zinc/72/74/69/346727469.db2.gz RSEOVEHKHKGURV-UHFFFAOYSA-N 0 0 232.283 2.749 20 5 BFBDRN Cc1cccc(N[C@H]2C[C@@H]2C(F)F)c1[N+](=O)[O-] ZINC000338728422 179159158 /nfs/dbraw/zinc/15/91/58/179159158.db2.gz YHBGAVOSPKBEFZ-CBAPKCEASA-N 0 0 242.225 2.969 20 5 BFBDRN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])s2)CCO1 ZINC000309768022 347159421 /nfs/dbraw/zinc/15/94/21/347159421.db2.gz JXNKAFBCQAZADQ-SFYZADRCSA-N 0 0 242.300 2.636 20 5 BFBDRN CC1(C)CCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000187285667 347253223 /nfs/dbraw/zinc/25/32/23/347253223.db2.gz YSIUGMAAUHLOJA-UHFFFAOYSA-N 0 0 248.282 2.609 20 5 BFBDRN Cc1cccc([N+](=O)[O-])c1NCc1ccccn1 ZINC000083371339 179206306 /nfs/dbraw/zinc/20/63/06/179206306.db2.gz MZOOLKXQGUKDIU-UHFFFAOYSA-N 0 0 243.266 2.910 20 5 BFBDRN Cc1ccc(NC(=O)C[C@@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000354987806 187374783 /nfs/dbraw/zinc/37/47/83/187374783.db2.gz ITNSBUOPAPXZQN-ZJUUUORDSA-N 0 0 248.282 2.888 20 5 BFBDRN CC(C)[C@@H]1N(c2ccc([N+](=O)[O-])nc2)CC1(C)C ZINC000590704107 347489950 /nfs/dbraw/zinc/48/99/50/347489950.db2.gz WFVVPSZOJXGGJK-LBPRGKRZSA-N 0 0 249.314 2.861 20 5 BFBDRN C[C@@H](CC(C)(C)O)Nc1ccc([N+](=O)[O-])s1 ZINC000590713014 347499242 /nfs/dbraw/zinc/49/92/42/347499242.db2.gz WVWQBLPKSDPGPQ-ZETCQYMHSA-N 0 0 244.316 2.618 20 5 BFBDRN CCC[C@@H](CNc1sccc1[N+](=O)[O-])OC ZINC000590706978 347498179 /nfs/dbraw/zinc/49/81/79/347498179.db2.gz UBCWOEOWKQOPPK-QMMMGPOBSA-N 0 0 244.316 2.883 20 5 BFBDRN Cc1cnc(OCC2CCCC2)c([N+](=O)[O-])c1 ZINC000176707038 365888428 /nfs/dbraw/zinc/88/84/28/365888428.db2.gz SCOOFIUJGTYSGL-UHFFFAOYSA-N 0 0 236.271 2.867 20 5 BFBDRN CCOCCSCc1cccc([N+](=O)[O-])c1 ZINC000194544708 347556500 /nfs/dbraw/zinc/55/65/00/347556500.db2.gz ZPTHMJLEGZLTET-UHFFFAOYSA-N 0 0 241.312 2.865 20 5 BFBDRN C[C@H]1CC[C@H](CNc2ccc([N+](=O)[O-])s2)O1 ZINC000591175198 347625188 /nfs/dbraw/zinc/62/51/88/347625188.db2.gz KFMIIZWCCXGNDV-JGVFFNPUSA-N 0 0 242.300 2.636 20 5 BFBDRN CC(C)(Nc1ncc([N+](=O)[O-])cc1F)C(F)F ZINC000591159693 347627017 /nfs/dbraw/zinc/62/70/17/347627017.db2.gz CIWMWYWJDOMYJE-UHFFFAOYSA-N 0 0 249.192 2.585 20 5 BFBDRN C[C@H]1C[C@@H](Nc2sccc2[N+](=O)[O-])CS1 ZINC000591192084 347629124 /nfs/dbraw/zinc/62/91/24/347629124.db2.gz NDZWMIBSRCQWFH-NKWVEPMBSA-N 0 0 244.341 2.962 20 5 BFBDRN C[C@H]1CC(C)(C)CN1c1cccnc1[N+](=O)[O-] ZINC000591197154 347629515 /nfs/dbraw/zinc/62/95/15/347629515.db2.gz CPUKMOWHSMHORA-VIFPVBQESA-N 0 0 235.287 2.615 20 5 BFBDRN O=[N+]([O-])c1cnccc1N1CC[C@H](C2CCC2)C1 ZINC000591204307 347630447 /nfs/dbraw/zinc/63/04/47/347630447.db2.gz QNUJCVPDYDAZGC-NSHDSACASA-N 0 0 247.298 2.616 20 5 BFBDRN COCC[C@H](C)CNc1sccc1[N+](=O)[O-] ZINC000591186439 347630979 /nfs/dbraw/zinc/63/09/79/347630979.db2.gz KTYNMZHQKNQPKX-QMMMGPOBSA-N 0 0 244.316 2.741 20 5 BFBDRN CN(CCC(C)(C)C)c1cccnc1[N+](=O)[O-] ZINC000591970212 347722864 /nfs/dbraw/zinc/72/28/64/347722864.db2.gz CRJASZYYODDXQL-UHFFFAOYSA-N 0 0 237.303 2.862 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CCC23CCCC3)nc1 ZINC000593483919 347897567 /nfs/dbraw/zinc/89/75/67/347897567.db2.gz LJBSNTODEDMORR-UHFFFAOYSA-N 0 0 233.271 2.513 20 5 BFBDRN CSCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000176938453 365932313 /nfs/dbraw/zinc/93/23/13/365932313.db2.gz ITEGGQABDIJOLC-UHFFFAOYSA-N 0 0 224.241 2.599 20 5 BFBDRN O=[N+]([O-])c1ccsc1N1CCCC(F)(F)C1 ZINC000593487142 347904622 /nfs/dbraw/zinc/90/46/22/347904622.db2.gz MBADSYQOKKGPPJ-UHFFFAOYSA-N 0 0 248.254 2.892 20 5 BFBDRN O=[N+]([O-])c1ccc(OCC2CC=CC2)cc1 ZINC000594879609 348119451 /nfs/dbraw/zinc/11/94/51/348119451.db2.gz ZPKHPQKJMGUROG-UHFFFAOYSA-N 0 0 219.240 2.940 20 5 BFBDRN COC1CC(Sc2cccc([N+](=O)[O-])c2)C1 ZINC000594899690 348132266 /nfs/dbraw/zinc/13/22/66/348132266.db2.gz QJTXFCWGAGKMJJ-UHFFFAOYSA-N 0 0 239.296 2.864 20 5 BFBDRN Cc1nn(CCCC2CCC2)c(C)c1[N+](=O)[O-] ZINC000594902785 348134172 /nfs/dbraw/zinc/13/41/72/348134172.db2.gz VYVHVYRDHDAPRA-UHFFFAOYSA-N 0 0 237.303 2.988 20 5 BFBDRN Cc1cccc(OCc2ccccn2)c1[N+](=O)[O-] ZINC000123945008 187394010 /nfs/dbraw/zinc/39/40/10/187394010.db2.gz YUUNKRPJZPZTLI-UHFFFAOYSA-N 0 0 244.250 2.877 20 5 BFBDRN Cc1ccnc(N2CCC3(CCC3)C2)c1[N+](=O)[O-] ZINC000131345868 179430250 /nfs/dbraw/zinc/43/02/50/179430250.db2.gz CPYSQXUZCFQZPD-UHFFFAOYSA-N 0 0 247.298 2.679 20 5 BFBDRN Cc1cc(N2CC[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000596105019 348440306 /nfs/dbraw/zinc/44/03/06/348440306.db2.gz IQCGTMGONNIKGD-SSDOTTSWSA-N 0 0 226.301 2.811 20 5 BFBDRN O=[N+]([O-])c1cc(F)ccc1N1CC[C@@H]1C(F)F ZINC000596246723 348486424 /nfs/dbraw/zinc/48/64/24/348486424.db2.gz FXZMBLILAQNYJQ-MRVPVSSYSA-N 0 0 246.188 2.578 20 5 BFBDRN O=[N+]([O-])c1cc(F)ccc1N1CC[C@H]1C(F)F ZINC000596246744 348486432 /nfs/dbraw/zinc/48/64/32/348486432.db2.gz FXZMBLILAQNYJQ-QMMMGPOBSA-N 0 0 246.188 2.578 20 5 BFBDRN Cc1cc(N[C@@H]2CO[C@H](C)C2)c([N+](=O)[O-])s1 ZINC000596290351 348488941 /nfs/dbraw/zinc/48/89/41/348488941.db2.gz DJKBVXKAVRJBNW-SVRRBLITSA-N 0 0 242.300 2.554 20 5 BFBDRN Cc1nc(N2C[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000596294185 348489400 /nfs/dbraw/zinc/48/94/00/348489400.db2.gz FXJPJWFKVFOUAI-JQWIXIFHSA-N 0 0 247.298 2.677 20 5 BFBDRN C[C@@H]1[C@@H](C)CN1c1c(F)cccc1[N+](=O)[O-] ZINC000596248297 348472667 /nfs/dbraw/zinc/47/26/67/348472667.db2.gz LYFYTTGMPFMTTB-JGVFFNPUSA-N 0 0 224.235 2.579 20 5 BFBDRN O=[N+]([O-])c1cccc(F)c1N1CC[C@H]1C(F)F ZINC000596250934 348473717 /nfs/dbraw/zinc/47/37/17/348473717.db2.gz WGZQVCLNHIEVBC-QMMMGPOBSA-N 0 0 246.188 2.578 20 5 BFBDRN Cc1cc(N2C[C@H](C)[C@@H]2C)c([N+](=O)[O-])s1 ZINC000596251899 348474051 /nfs/dbraw/zinc/47/40/51/348474051.db2.gz YSPKCIJEVQQVNH-XPUUQOCRSA-N 0 0 226.301 2.809 20 5 BFBDRN CCC(CC)Cn1c(C)ccc([N+](=O)[O-])c1=O ZINC000596269664 348480865 /nfs/dbraw/zinc/48/08/65/348480865.db2.gz XGYPEAHXSLPXPT-UHFFFAOYSA-N 0 0 238.287 2.501 20 5 BFBDRN CC[C@H](CNc1cc(C)sc1[N+](=O)[O-])OC ZINC000596236574 348481977 /nfs/dbraw/zinc/48/19/77/348481977.db2.gz OPJQOFVQODMXKE-MRVPVSSYSA-N 0 0 244.316 2.802 20 5 BFBDRN CCO[C@H]1C[C@H](Nc2ccsc2[N+](=O)[O-])C1 ZINC000596440331 348548711 /nfs/dbraw/zinc/54/87/11/348548711.db2.gz HYYZINKIDNDSKY-ZKCHVHJHSA-N 0 0 242.300 2.636 20 5 BFBDRN CC1(C)C[C@@H](Nc2ccc([N+](=O)[O-])s2)CO1 ZINC000596310665 348504168 /nfs/dbraw/zinc/50/41/68/348504168.db2.gz IAFGQIJSYNJKER-SSDOTTSWSA-N 0 0 242.300 2.636 20 5 BFBDRN CC1(C)C[C@H](Nc2ccc([N+](=O)[O-])s2)CO1 ZINC000596310666 348504224 /nfs/dbraw/zinc/50/42/24/348504224.db2.gz IAFGQIJSYNJKER-ZETCQYMHSA-N 0 0 242.300 2.636 20 5 BFBDRN Cc1cc(N(C)C[C@@H]2CC2(C)C)ncc1[N+](=O)[O-] ZINC000596567905 348580821 /nfs/dbraw/zinc/58/08/21/348580821.db2.gz QWLNHFVYNDEUFR-JTQLQIEISA-N 0 0 249.314 2.781 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CC3CC2(C)C3)n1 ZINC000596574443 348591641 /nfs/dbraw/zinc/59/16/41/348591641.db2.gz HVNCQOUPKMJCAX-UHFFFAOYSA-N 0 0 247.298 2.595 20 5 BFBDRN Cc1ccc(NC(=O)CCCF)cc1[N+](=O)[O-] ZINC000596620201 348595004 /nfs/dbraw/zinc/59/50/04/348595004.db2.gz MMCUKOKBPOUXMD-UHFFFAOYSA-N 0 0 240.234 2.591 20 5 BFBDRN Cc1c(-c2ccc(C)c([N+](=O)[O-])c2)cnn1C ZINC000596638925 348598635 /nfs/dbraw/zinc/59/86/35/348598635.db2.gz FXUYTHWPUKGVGI-UHFFFAOYSA-N 0 0 231.255 2.612 20 5 BFBDRN CC[C@@H](Nc1ncc([N+](=O)[O-])cc1F)C1CC1 ZINC000596486401 348559159 /nfs/dbraw/zinc/55/91/59/348559159.db2.gz XLXQXGKQVIPAAR-SNVBAGLBSA-N 0 0 239.250 2.729 20 5 BFBDRN CC(C)(F)CCNc1ccc([N+](=O)[O-])nc1 ZINC000596468501 348562767 /nfs/dbraw/zinc/56/27/67/348562767.db2.gz JRLWHFIESMHVRZ-UHFFFAOYSA-N 0 0 227.239 2.540 20 5 BFBDRN Cc1cc(N[C@@]2(C)CC2(C)C)ncc1[N+](=O)[O-] ZINC000596522950 348563996 /nfs/dbraw/zinc/56/39/96/348563996.db2.gz DOBGOWFTRSNNBC-LBPRGKRZSA-N 0 0 235.287 2.899 20 5 BFBDRN CC1(C)C[C@]1(C)Nc1ncc([N+](=O)[O-])cc1F ZINC000596523646 348564789 /nfs/dbraw/zinc/56/47/89/348564789.db2.gz KZZHSEICPREOPY-NSHDSACASA-N 0 0 239.250 2.729 20 5 BFBDRN Cc1cccc([N+](=O)[O-])c1N1CC[C@@H]2C[C@@H]2C1 ZINC000596508592 348571434 /nfs/dbraw/zinc/57/14/34/348571434.db2.gz DFBLELPBJYHLDC-GHMZBOCLSA-N 0 0 232.283 2.749 20 5 BFBDRN Cc1cc(N2CC[C@H]3C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000596508810 348571903 /nfs/dbraw/zinc/57/19/03/348571903.db2.gz FYBLVBHBSRSVLX-QWRGUYRKSA-N 0 0 232.283 2.749 20 5 BFBDRN Cc1cnc(N[C@H](C)C2CC2)c([N+](=O)[O-])c1 ZINC000085426857 179641479 /nfs/dbraw/zinc/64/14/79/179641479.db2.gz RDSNUIXDAXDPGY-MRVPVSSYSA-N 0 0 221.260 2.509 20 5 BFBDRN CC1(C)C[C@]1(C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000598385957 348954923 /nfs/dbraw/zinc/95/49/23/348954923.db2.gz NUNCBCNUQJYLKZ-ZDUSSCGKSA-N 0 0 248.282 2.513 20 5 BFBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)C1CC2(CC2)C1 ZINC000598804185 349046778 /nfs/dbraw/zinc/04/67/78/349046778.db2.gz VQVRGEQFRNBBEM-UHFFFAOYSA-N 0 0 246.266 2.724 20 5 BFBDRN CC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1Cl ZINC000037974513 187420070 /nfs/dbraw/zinc/42/00/70/187420070.db2.gz XYRANRKVPBAHAD-SSDOTTSWSA-N 0 0 243.646 2.605 20 5 BFBDRN COc1cc(NCC2CC=CC2)ccc1[N+](=O)[O-] ZINC000599126565 349101900 /nfs/dbraw/zinc/10/19/00/349101900.db2.gz JYMIXFNBTLTOJG-UHFFFAOYSA-N 0 0 248.282 2.982 20 5 BFBDRN O=[N+]([O-])c1ccccc1NCC1CC=CC1 ZINC000599126563 349102099 /nfs/dbraw/zinc/10/20/99/349102099.db2.gz JSCVFZMLYBTJSB-UHFFFAOYSA-N 0 0 218.256 2.973 20 5 BFBDRN C/C=C/CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000599170565 349110852 /nfs/dbraw/zinc/11/08/52/349110852.db2.gz BFCOSNIPRYFAME-NSCUHMNNSA-N 0 0 233.271 2.551 20 5 BFBDRN CO[C@H]1C[C@H](Nc2cc(C)sc2[N+](=O)[O-])C1 ZINC000599196270 349115958 /nfs/dbraw/zinc/11/59/58/349115958.db2.gz XGHJVFLQVVRUJQ-ZKCHVHJHSA-N 0 0 242.300 2.554 20 5 BFBDRN O=[N+]([O-])c1cc(CN(C2CC2)C2CC2)cs1 ZINC000599595661 349222937 /nfs/dbraw/zinc/22/29/37/349222937.db2.gz WYSKTUMZVUBCRM-UHFFFAOYSA-N 0 0 238.312 2.783 20 5 BFBDRN C[C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000047264507 490248281 /nfs/dbraw/zinc/24/82/81/490248281.db2.gz QRMAMVLMTXXHFR-SECBINFHSA-N 0 0 240.328 2.888 20 5 BFBDRN Cc1cc(C)n(-c2cc([N+](=O)[O-])ccc2C)n1 ZINC000601935197 349388889 /nfs/dbraw/zinc/38/88/89/349388889.db2.gz HQUGXNZPQMQDSL-UHFFFAOYSA-N 0 0 231.255 2.706 20 5 BFBDRN Cc1nn(-c2cccc([N+](=O)[O-])c2)c2c1CCC2 ZINC000601932856 349386219 /nfs/dbraw/zinc/38/62/19/349386219.db2.gz SNMYQHQQDXZJSA-UHFFFAOYSA-N 0 0 243.266 2.578 20 5 BFBDRN C[C@@H]1CCC[C@@H](Nc2cccnc2[N+](=O)[O-])C1 ZINC000159326975 350022554 /nfs/dbraw/zinc/02/25/54/350022554.db2.gz GXECFFHNQUJVGS-NXEZZACHSA-N 0 0 235.287 2.980 20 5 BFBDRN Cc1nc(N(C)[C@@H](C)C(C)C)ccc1[N+](=O)[O-] ZINC000268497154 179997790 /nfs/dbraw/zinc/99/77/90/179997790.db2.gz PKIPUBYJAGSQMN-JTQLQIEISA-N 0 0 237.303 2.779 20 5 BFBDRN Cc1nc(N2CCC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000151660756 180001298 /nfs/dbraw/zinc/00/12/98/180001298.db2.gz UIKZPFMCUCUELU-UHFFFAOYSA-N 0 0 247.298 2.679 20 5 BFBDRN Cc1nc(NCc2ccco2)ccc1[N+](=O)[O-] ZINC000161489737 180021030 /nfs/dbraw/zinc/02/10/30/180021030.db2.gz JKETUGZRDYJNEW-UHFFFAOYSA-N 0 0 233.227 2.503 20 5 BFBDRN Cc1nc(N[C@@H]2CCC2(C)C)ccc1[N+](=O)[O-] ZINC000310082195 180022203 /nfs/dbraw/zinc/02/22/03/180022203.db2.gz KDFKGUWQPDXXDZ-SNVBAGLBSA-N 0 0 235.287 2.899 20 5 BFBDRN Cc1ncc([N+](=O)[O-])n1CCC(C)(C)C ZINC000330500882 180176608 /nfs/dbraw/zinc/17/66/08/180176608.db2.gz RQTYAWNTHXJBHD-UHFFFAOYSA-N 0 0 211.265 2.536 20 5 BFBDRN CC(C)[C@@H](Nc1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000324481253 350303401 /nfs/dbraw/zinc/30/34/01/350303401.db2.gz BYKMESDCXOVSQS-GFCCVEGCSA-N 0 0 235.287 2.836 20 5 BFBDRN CC(C)[C@@H](Nc1ncccc1[N+](=O)[O-])C1CC1 ZINC000324548980 350307155 /nfs/dbraw/zinc/30/71/55/350307155.db2.gz PKNNELHGQVBRIB-LLVKDONJSA-N 0 0 235.287 2.836 20 5 BFBDRN Cc1nn([C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000294306002 180392438 /nfs/dbraw/zinc/39/24/38/180392438.db2.gz VNAHVHLIDQCBDL-JTQLQIEISA-N 0 0 231.255 2.709 20 5 BFBDRN O=[N+]([O-])c1cccc(F)c1NCCn1cccc1 ZINC000342817265 350771972 /nfs/dbraw/zinc/77/19/72/350771972.db2.gz NZWFZCQSSCOVKT-UHFFFAOYSA-N 0 0 249.245 2.648 20 5 BFBDRN Cc1cc(N2CCC[C@H](F)C2)ccc1[N+](=O)[O-] ZINC000343043240 350891795 /nfs/dbraw/zinc/89/17/95/350891795.db2.gz DCLMHLLFEXBBKQ-JTQLQIEISA-N 0 0 238.262 2.842 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@@H]2C(F)F)c1 ZINC000343776933 350995499 /nfs/dbraw/zinc/99/54/99/350995499.db2.gz JVSMETGDJLYKNB-JGVFFNPUSA-N 0 0 242.225 2.969 20 5 BFBDRN Cc1cc(N[C@@H]2C[C@H]2C(F)F)ccc1[N+](=O)[O-] ZINC000343800173 350996266 /nfs/dbraw/zinc/99/62/66/350996266.db2.gz BQWKWNJMMZCZDW-RKDXNWHRSA-N 0 0 242.225 2.969 20 5 BFBDRN CCC[C@@H]1C[C@H]1Nc1cccnc1[N+](=O)[O-] ZINC000231662979 351052437 /nfs/dbraw/zinc/05/24/37/351052437.db2.gz DVUSIDJBBLECNX-PSASIEDQSA-N 0 0 221.260 2.590 20 5 BFBDRN CO[C@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000231683706 351122081 /nfs/dbraw/zinc/12/20/81/351122081.db2.gz KUIBSWGILPRRQW-PWSUYJOCSA-N 0 0 236.271 2.574 20 5 BFBDRN O=[N+]([O-])c1ccc(N2Cc3ccccc3C2)cn1 ZINC000344421342 351124798 /nfs/dbraw/zinc/12/47/98/351124798.db2.gz AUBJFOCYFXMJQL-UHFFFAOYSA-N 0 0 241.250 2.510 20 5 BFBDRN Cc1ccc(CNCc2ccco2)cc1[N+](=O)[O-] ZINC000034994350 351375704 /nfs/dbraw/zinc/37/57/04/351375704.db2.gz XKMDNKFHACLXOX-UHFFFAOYSA-N 0 0 246.266 2.786 20 5 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Cc1cn(CC2=CCCCC2)nc1[N+](=O)[O-] ZINC000334953138 383986201 /nfs/dbraw/zinc/98/62/01/383986201.db2.gz QVQZGUNWXKPPFP-UHFFFAOYSA-N 0 0 221.260 2.600 20 5 BFBDRN Nc1ccc(NC[C@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000288649359 383942933 /nfs/dbraw/zinc/94/29/33/383942933.db2.gz ZQOULUSFYUSNFU-JTQLQIEISA-N 0 0 247.298 2.945 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(NCC(F)F)c1 ZINC000132001030 383974529 /nfs/dbraw/zinc/97/45/29/383974529.db2.gz HUILJLGFAHFORK-UHFFFAOYSA-N 0 0 216.187 2.580 20 5 BFBDRN Cc1cc(NC(=O)[C@@H]2CC23CC3)ccc1[N+](=O)[O-] ZINC000335025911 384010544 /nfs/dbraw/zinc/01/05/44/384010544.db2.gz SLIWZCBJOTVJTB-JTQLQIEISA-N 0 0 246.266 2.642 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N(C)CC(C)(C)C)n1 ZINC000360664015 384039896 /nfs/dbraw/zinc/03/98/96/384039896.db2.gz NHGOXVZAHGWALX-UHFFFAOYSA-N 0 0 237.303 2.781 20 5 BFBDRN CC(C)C1(CNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000227823483 134389271 /nfs/dbraw/zinc/38/92/71/134389271.db2.gz AVYPXMVSWMDGAG-UHFFFAOYSA-N 0 0 235.287 2.838 20 5 BFBDRN Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)co1 ZINC000186930549 384089533 /nfs/dbraw/zinc/08/95/33/384089533.db2.gz CQHHEYYGBKJGFL-UHFFFAOYSA-N 0 0 246.222 2.749 20 5 BFBDRN CC(C)=CCOc1cc(C=O)ccc1[N+](=O)[O-] ZINC000050517617 384068603 /nfs/dbraw/zinc/06/86/03/384068603.db2.gz RKLUNYLOSLLHJD-UHFFFAOYSA-N 0 0 235.239 2.752 20 5 BFBDRN Cn1nccc1CSc1cccc([N+](=O)[O-])c1 ZINC000337934817 384073463 /nfs/dbraw/zinc/07/34/63/384073463.db2.gz HALRZILSQIDMKX-UHFFFAOYSA-N 0 0 249.295 2.621 20 5 BFBDRN C[C@H]1CC[C@@H]1Nc1c(F)cccc1[N+](=O)[O-] ZINC000309408802 384093822 /nfs/dbraw/zinc/09/38/22/384093822.db2.gz IJRJBRWESSQHQX-CBAPKCEASA-N 0 0 224.235 2.944 20 5 BFBDRN Cc1cn(CCCC(C)C)nc1[N+](=O)[O-] ZINC000337940658 384128321 /nfs/dbraw/zinc/12/83/21/384128321.db2.gz SFEDBTGDNZHDFH-UHFFFAOYSA-N 0 0 211.265 2.536 20 5 BFBDRN CCN(C(=O)c1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000299702372 384158285 /nfs/dbraw/zinc/15/82/85/384158285.db2.gz POXCFLOVVWFRIE-UHFFFAOYSA-N 0 0 248.282 2.528 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@@H]2C[C@@H]2C2CC2)c(F)c1 ZINC000362374489 384201373 /nfs/dbraw/zinc/20/13/73/384201373.db2.gz WRMUKRBYIOMVRF-BXKDBHETSA-N 0 0 236.246 2.944 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@H]2C[C@@H]2C2CC2)c(F)c1 ZINC000362374492 384202113 /nfs/dbraw/zinc/20/21/13/384202113.db2.gz WRMUKRBYIOMVRF-SKDRFNHKSA-N 0 0 236.246 2.944 20 5 BFBDRN O=[N+]([O-])c1cc(F)ccc1N[C@@H]1C[C@H]1C1CC1 ZINC000362365387 384199055 /nfs/dbraw/zinc/19/90/55/384199055.db2.gz NRJFOQKFNBMQJJ-GXSJLCMTSA-N 0 0 236.246 2.944 20 5 BFBDRN Cc1ccnc(NCCC(C)C)c1[N+](=O)[O-] ZINC000070062622 384219310 /nfs/dbraw/zinc/21/93/10/384219310.db2.gz ANLHAUIKAGGBLO-UHFFFAOYSA-N 0 0 223.276 2.756 20 5 BFBDRN Cc1c(Nc2cc(C)ccc2[N+](=O)[O-])cnn1C ZINC000362559639 384262231 /nfs/dbraw/zinc/26/22/31/384262231.db2.gz CXEVVUZHPKRUJH-UHFFFAOYSA-N 0 0 246.270 2.689 20 5 BFBDRN O=[N+]([O-])c1ccccc1OCCOC1CCC1 ZINC000286361156 384281755 /nfs/dbraw/zinc/28/17/55/384281755.db2.gz AEYMLLCTHFNAEJ-UHFFFAOYSA-N 0 0 237.255 2.543 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CC2(C)C)n1 ZINC000359086604 384374845 /nfs/dbraw/zinc/37/48/45/384374845.db2.gz VXPBXAROTZPSQA-SECBINFHSA-N 0 0 235.287 2.817 20 5 BFBDRN C[C@@H]1CC[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000308775862 384369182 /nfs/dbraw/zinc/36/91/82/384369182.db2.gz AFTSKAAYKJVSMF-RKDXNWHRSA-N 0 0 206.245 2.805 20 5 BFBDRN CCOc1cccc(NC2CCC2)c1[N+](=O)[O-] ZINC000134916537 384399827 /nfs/dbraw/zinc/39/98/27/384399827.db2.gz DAAABQNGDGZPGU-UHFFFAOYSA-N 0 0 236.271 2.958 20 5 BFBDRN CCCCCOc1ccc([N+](=O)[O-])c(CO)c1 ZINC000337396990 384420580 /nfs/dbraw/zinc/42/05/80/384420580.db2.gz CQOYOVIHAFOKSQ-UHFFFAOYSA-N 0 0 239.271 2.656 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(NCc2ccoc2)n1 ZINC000359100310 384376033 /nfs/dbraw/zinc/37/60/33/384376033.db2.gz DCNKOXVZCWLCCR-UHFFFAOYSA-N 0 0 247.254 2.812 20 5 BFBDRN O=[N+]([O-])c1cnn(C[C@H]2C[C@H]2c2ccccc2)c1 ZINC000359179102 384381896 /nfs/dbraw/zinc/38/18/96/384381896.db2.gz RBLZFWKBZFSWJJ-YPMHNXCESA-N 0 0 243.266 2.595 20 5 BFBDRN CC(C)(C)CCNc1ncc([N+](=O)[O-])s1 ZINC000083356895 384500588 /nfs/dbraw/zinc/50/05/88/384500588.db2.gz GVTYEJHIVRVFCK-UHFFFAOYSA-N 0 0 229.305 2.899 20 5 BFBDRN CC(C)(C)CCNc1cccnc1[N+](=O)[O-] ZINC000083352632 384503136 /nfs/dbraw/zinc/50/31/36/384503136.db2.gz JUINJWGYTQZPNO-UHFFFAOYSA-N 0 0 223.276 2.838 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@H]2CCCSC2)cc1 ZINC000061577288 384508893 /nfs/dbraw/zinc/50/88/93/384508893.db2.gz GMSANLVJBYJJMS-JTQLQIEISA-N 0 0 238.312 2.902 20 5 BFBDRN O=[N+]([O-])c1ncccc1NCc1cccc(F)c1 ZINC000083376286 384510679 /nfs/dbraw/zinc/51/06/79/384510679.db2.gz UTDDRRSYYFXHDC-UHFFFAOYSA-N 0 0 247.229 2.741 20 5 BFBDRN O=[N+]([O-])c1cc(Cl)cnc1NCCCCF ZINC000309268790 384493244 /nfs/dbraw/zinc/49/32/44/384493244.db2.gz QSNNGCRJUPZMJG-UHFFFAOYSA-N 0 0 247.657 2.805 20 5 BFBDRN COC(C)(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000340600388 384513255 /nfs/dbraw/zinc/51/32/55/384513255.db2.gz LLNOVJXMXZDECX-UHFFFAOYSA-N 0 0 239.271 2.789 20 5 BFBDRN C[C@H](O)CCCn1ccc2c1cccc2[N+](=O)[O-] ZINC000311094078 384738283 /nfs/dbraw/zinc/73/82/83/384738283.db2.gz ITYKBJAIKTYDRV-JTQLQIEISA-N 0 0 248.282 2.711 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@@H]2CC3CCC2CC3)nc1 ZINC000311124170 384779978 /nfs/dbraw/zinc/77/99/78/384779978.db2.gz AJSUZUJCPWQFOO-RTYFJBAXSA-N 0 0 247.298 2.980 20 5 BFBDRN C[C@@H]1C[C@H](C)[C@H](C)N(c2ccc([N+](=O)[O-])nc2)C1 ZINC000450474169 384768224 /nfs/dbraw/zinc/76/82/24/384768224.db2.gz JJDSZQWGHGHURN-VWYCJHECSA-N 0 0 249.314 2.861 20 5 BFBDRN C/C=C(\C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000175818201 384799626 /nfs/dbraw/zinc/79/96/26/384799626.db2.gz RFXPXHVGNGZEGU-XBXARRHUSA-N 0 0 234.255 2.808 20 5 BFBDRN O=[N+]([O-])c1cccc(OCCCCCCO)c1 ZINC000179254425 384809324 /nfs/dbraw/zinc/80/93/24/384809324.db2.gz WTLDLCYMBAKSEJ-UHFFFAOYSA-N 0 0 239.271 2.526 20 5 BFBDRN C[C@H]1CCC(=O)[C@H](Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000450628413 384847547 /nfs/dbraw/zinc/84/75/47/384847547.db2.gz YFDYXJMVPXCUMF-TVQRCGJNSA-N 0 0 249.266 2.731 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3CCC[C@H]3C2)n1 ZINC000178256971 384869711 /nfs/dbraw/zinc/86/97/11/384869711.db2.gz GRDGAZAYVCMTEU-QWRGUYRKSA-N 0 0 247.298 2.535 20 5 BFBDRN O=[N+]([O-])c1ccccc1NCCC1CC1 ZINC000083911072 384925036 /nfs/dbraw/zinc/92/50/36/384925036.db2.gz XAVMMRJYHCXQCP-UHFFFAOYSA-N 0 0 206.245 2.807 20 5 BFBDRN Cc1cnc(N2CC(CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000598642591 385039477 /nfs/dbraw/zinc/03/94/77/385039477.db2.gz AXZDBYPWGUFGMX-UHFFFAOYSA-N 0 0 247.298 2.535 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N(C)Cc2ccco2)n1 ZINC000119940595 385039903 /nfs/dbraw/zinc/03/99/03/385039903.db2.gz KHGNOJQJIHIMLG-UHFFFAOYSA-N 0 0 247.254 2.528 20 5 BFBDRN Cc1ccnc(NCC2CC(C)C2)c1[N+](=O)[O-] ZINC000598642364 385040328 /nfs/dbraw/zinc/04/03/28/385040328.db2.gz HDRSDULXWCXEDV-UHFFFAOYSA-N 0 0 235.287 2.756 20 5 BFBDRN O=[N+]([O-])c1ccccc1N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000309536501 385044934 /nfs/dbraw/zinc/04/49/34/385044934.db2.gz XDMQFBDFBZSRRJ-GDGBQDQQSA-N 0 0 218.256 2.805 20 5 BFBDRN CC(C)(O)CCn1ccc2c1cccc2[N+](=O)[O-] ZINC000085263645 385106472 /nfs/dbraw/zinc/10/64/72/385106472.db2.gz DREUUANIHVNOSY-UHFFFAOYSA-N 0 0 248.282 2.711 20 5 BFBDRN Cc1ncn(Cc2ccc(F)cc2[N+](=O)[O-])c1C ZINC000516938329 385176635 /nfs/dbraw/zinc/17/66/35/385176635.db2.gz NVTDYEKOQMFYJB-UHFFFAOYSA-N 0 0 249.245 2.596 20 5 BFBDRN CCC(CC)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000085426786 385176800 /nfs/dbraw/zinc/17/68/00/385176800.db2.gz KBCAMHPUWJFSLQ-UHFFFAOYSA-N 0 0 223.276 2.899 20 5 BFBDRN C[C@@H](CF)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000288102032 385268080 /nfs/dbraw/zinc/26/80/80/385268080.db2.gz AYBHRTFVGHKDHM-YFKPBYRVSA-N 0 0 234.177 2.643 20 5 BFBDRN Cc1cccc(N2CCC[C@@H](F)C2)c1[N+](=O)[O-] ZINC000338714564 385269271 /nfs/dbraw/zinc/26/92/71/385269271.db2.gz SLYXWMOLGJXSCY-SNVBAGLBSA-N 0 0 238.262 2.842 20 5 BFBDRN CC(C)[C@H](C)CNc1ncc([N+](=O)[O-])s1 ZINC000189687499 385273277 /nfs/dbraw/zinc/27/32/77/385273277.db2.gz PLCYMZRLNXTELH-SSDOTTSWSA-N 0 0 229.305 2.755 20 5 BFBDRN CC(C)[C@@H](C)CNc1ncc([N+](=O)[O-])s1 ZINC000189687480 385273308 /nfs/dbraw/zinc/27/33/08/385273308.db2.gz PLCYMZRLNXTELH-ZETCQYMHSA-N 0 0 229.305 2.755 20 5 BFBDRN O=[N+]([O-])c1cnc(NC(C2CC2)C2CC2)s1 ZINC000189684508 385276552 /nfs/dbraw/zinc/27/65/52/385276552.db2.gz QRVRDOKHNDRQET-UHFFFAOYSA-N 0 0 239.300 2.652 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CCCC[C@@H]2C)n1 ZINC000408172217 385604832 /nfs/dbraw/zinc/60/48/32/385604832.db2.gz UAMHNYJXPCRINK-NSHDSACASA-N 0 0 249.314 2.985 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](C)C[C@H]2C)n1 ZINC000408172276 385605937 /nfs/dbraw/zinc/60/59/37/385605937.db2.gz UVPNZWGCGLFBNC-GZMMTYOYSA-N 0 0 249.314 2.841 20 5 BFBDRN CC(C)[C@@]1(C)C[C@@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000397320687 385592927 /nfs/dbraw/zinc/59/29/27/385592927.db2.gz VOSNQWVDOWMBBP-OIBJUYFYSA-N 0 0 241.316 2.898 20 5 BFBDRN CSCOc1cccc(C)c1[N+](=O)[O-] ZINC000292645987 385707109 /nfs/dbraw/zinc/70/71/09/385707109.db2.gz MAEZNJDIYIDPNC-UHFFFAOYSA-N 0 0 213.258 2.603 20 5 BFBDRN Cc1ccc(NCC2=CCOCC2)c([N+](=O)[O-])c1 ZINC000397756059 385709785 /nfs/dbraw/zinc/70/97/85/385709785.db2.gz RZUNSZFMBNWSKD-UHFFFAOYSA-N 0 0 248.282 2.662 20 5 BFBDRN CC[C@]1(C)CCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000343533450 385712310 /nfs/dbraw/zinc/71/23/10/385712310.db2.gz LXGYJEBDBBGHLU-GFCCVEGCSA-N 0 0 235.287 2.616 20 5 BFBDRN Cc1ccc(NC[C@@H]2C[C@H]2C)c([N+](=O)[O-])c1 ZINC000159764902 385732014 /nfs/dbraw/zinc/73/20/14/385732014.db2.gz RKLYDBDCXTVUJW-ZJUUUORDSA-N 0 0 220.272 2.971 20 5 BFBDRN Cc1nc(N[C@@H]2C[C@H]3C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000397821900 385719250 /nfs/dbraw/zinc/71/92/50/385719250.db2.gz NSJBICHFTXLKHW-ILWJIGKKSA-N 0 0 233.271 2.509 20 5 BFBDRN C[C@@H]1C[C@H]1Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000052291544 385721328 /nfs/dbraw/zinc/72/13/28/385721328.db2.gz FTAUGWOPUZRHGF-LDYMZIIASA-N 0 0 243.266 2.963 20 5 BFBDRN C[C@@H]1C[C@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC000052291934 385722608 /nfs/dbraw/zinc/72/26/08/385722608.db2.gz IPITZECEYXWFDG-LHLIQPBNSA-N 0 0 210.208 2.554 20 5 BFBDRN CSCn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000292776128 385724683 /nfs/dbraw/zinc/72/46/83/385724683.db2.gz XWLJISGUGBWKLZ-UHFFFAOYSA-N 0 0 237.284 2.573 20 5 BFBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C1CC1 ZINC000291527724 385887170 /nfs/dbraw/zinc/88/71/70/385887170.db2.gz ZHSIMDLOIBQHJP-UHFFFAOYSA-N 0 0 234.255 2.506 20 5 BFBDRN CN(c1ncc([N+](=O)[O-])s1)C1CCCCC1 ZINC000190299676 385909542 /nfs/dbraw/zinc/90/95/42/385909542.db2.gz UFGBQUZMHWVHGJ-UHFFFAOYSA-N 0 0 241.316 2.820 20 5 BFBDRN CCCCNc1ncc([N+](=O)[O-])cc1C ZINC000052812196 385988690 /nfs/dbraw/zinc/98/86/90/385988690.db2.gz BCYCFEQAATZZOW-UHFFFAOYSA-N 0 0 209.249 2.510 20 5 BFBDRN CO[C@H](C)[C@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000161173621 385939790 /nfs/dbraw/zinc/93/97/90/385939790.db2.gz DMDOETUDLLMFEH-JGVFFNPUSA-N 0 0 242.250 2.569 20 5 BFBDRN CCSCCSc1ccc([N+](=O)[O-])cn1 ZINC000160147854 386017998 /nfs/dbraw/zinc/01/79/98/386017998.db2.gz PCXDPESRVAISSD-UHFFFAOYSA-N 0 0 244.341 2.835 20 5 BFBDRN 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249.314 2.781 20 5 BFBDRN Cc1cc(N2CCC=C(F)C2)ccc1[N+](=O)[O-] ZINC000272561458 132200675 /nfs/dbraw/zinc/20/06/75/132200675.db2.gz SEMVIQALYSVPJB-UHFFFAOYSA-N 0 0 236.246 2.967 20 5 BFBDRN Cc1cnc(N2CCCC3(CC3)C2)c([N+](=O)[O-])c1 ZINC000274521671 132203196 /nfs/dbraw/zinc/20/31/96/132203196.db2.gz WRTHQUBGBLZDHV-UHFFFAOYSA-N 0 0 247.298 2.679 20 5 BFBDRN O=[N+]([O-])c1ccccc1N1CCCC2(CC2)C1 ZINC000274498142 132203276 /nfs/dbraw/zinc/20/32/76/132203276.db2.gz RLNRDPZOURBJFC-UHFFFAOYSA-N 0 0 232.283 2.975 20 5 BFBDRN COc1cccc(N2CCCCC2)c1[N+](=O)[O-] ZINC000274630255 132203563 /nfs/dbraw/zinc/20/35/63/132203563.db2.gz XXKHSFNLLPMVIW-UHFFFAOYSA-N 0 0 236.271 2.594 20 5 BFBDRN CC[C@@H]1CCCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000283613518 132212984 /nfs/dbraw/zinc/21/29/84/132212984.db2.gz RZXFDSWLEYCUQR-SNVBAGLBSA-N 0 0 249.314 2.803 20 5 BFBDRN CC[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000298487097 132222463 /nfs/dbraw/zinc/22/24/63/132222463.db2.gz WVABUAJRFPWVTM-JTQLQIEISA-N 0 0 235.287 2.616 20 5 BFBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N1[C@H](C)C[C@H]1C ZINC000334246807 133593854 /nfs/dbraw/zinc/59/38/54/133593854.db2.gz IWTUKBPANVCFFZ-NXEZZACHSA-N 0 0 248.282 2.526 20 5 BFBDRN Cc1ncccc1OCc1cccc([N+](=O)[O-])c1 ZINC000181702805 134338709 /nfs/dbraw/zinc/33/87/09/134338709.db2.gz JQEQWPSLIIMGCI-UHFFFAOYSA-N 0 0 244.250 2.877 20 5 BFBDRN C[C@@H](CC(F)(F)F)Nc1ccc([N+](=O)[O-])cn1 ZINC000231749452 134544329 /nfs/dbraw/zinc/54/43/29/134544329.db2.gz CXYGTBLMCDCADB-LURJTMIESA-N 0 0 249.192 2.743 20 5 BFBDRN C[C@H](CC1CC1)Nc1ncccc1[N+](=O)[O-] ZINC000069666897 134902408 /nfs/dbraw/zinc/90/24/08/134902408.db2.gz QZLAIOBTCJIASB-MRVPVSSYSA-N 0 0 221.260 2.590 20 5 BFBDRN C[C@H]1CCN(c2c(F)cccc2[N+](=O)[O-])[C@H]1C ZINC000342779170 135317780 /nfs/dbraw/zinc/31/77/80/135317780.db2.gz DISZZJKCBCZNET-IUCAKERBSA-N 0 0 238.262 2.969 20 5 BFBDRN C[C@@H]1CC[C@@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000334224024 135329028 /nfs/dbraw/zinc/32/90/28/135329028.db2.gz ALWAQUNBQBDBLM-KCJUWKMLSA-N 0 0 249.270 2.515 20 5 BFBDRN O=[N+]([O-])c1cc(F)ccc1N1CCC[C@@H](F)C1 ZINC000343032832 135348743 /nfs/dbraw/zinc/34/87/43/135348743.db2.gz HVGBAYFJLFWBRP-SECBINFHSA-N 0 0 242.225 2.672 20 5 BFBDRN Cc1c(CNc2ccccn2)cccc1[N+](=O)[O-] ZINC000231868954 135639063 /nfs/dbraw/zinc/63/90/63/135639063.db2.gz JPKNWMNUMNXNTN-UHFFFAOYSA-N 0 0 243.266 2.910 20 5 BFBDRN Cc1c(NC(=O)[C@@H]2CC23CC3)cccc1[N+](=O)[O-] ZINC000334995612 135861188 /nfs/dbraw/zinc/86/11/88/135861188.db2.gz QNARYUVDALVXDP-VIFPVBQESA-N 0 0 246.266 2.642 20 5 BFBDRN CO[C@@H]1CCC[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000050374454 322849389 /nfs/dbraw/zinc/84/93/89/322849389.db2.gz XGGMRHMUVCIKGS-ZYHUDNBSSA-N 0 0 236.271 2.574 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H](C)[C@H]2C)n1 ZINC000408170454 397974003 /nfs/dbraw/zinc/97/40/03/397974003.db2.gz DSEQIEZWLDDQDF-LDYMZIIASA-N 0 0 249.314 2.841 20 5 BFBDRN CC[C@@](C)(CNc1ccc([N+](=O)[O-])cc1)OC ZINC000323070446 322900093 /nfs/dbraw/zinc/90/00/93/322900093.db2.gz WFFPKQLBKJOBOB-LBPRGKRZSA-N 0 0 238.287 2.822 20 5 BFBDRN CC(C)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000227887130 167142213 /nfs/dbraw/zinc/14/22/13/167142213.db2.gz FWFMOUSXKHMSBW-UHFFFAOYSA-N 0 0 216.187 2.693 20 5 BFBDRN CC(C)OCCNc1cc(F)cc([N+](=O)[O-])c1 ZINC000160601593 167246205 /nfs/dbraw/zinc/24/62/05/167246205.db2.gz FGQVMRCGYGAIFV-UHFFFAOYSA-N 0 0 242.250 2.571 20 5 BFBDRN CC(C)[C@@H](C)N(C)c1ncc([N+](=O)[O-])s1 ZINC000281834325 167371185 /nfs/dbraw/zinc/37/11/85/167371185.db2.gz HOZPAXJALBYNHJ-SSDOTTSWSA-N 0 0 229.305 2.532 20 5 BFBDRN CC/C(C)=C/C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000294294575 167824029 /nfs/dbraw/zinc/82/40/29/167824029.db2.gz CFBDZFLNESWKRX-CSKARUKUSA-N 0 0 248.282 2.567 20 5 BFBDRN CC/C=C/CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000296166340 167853106 /nfs/dbraw/zinc/85/31/06/167853106.db2.gz KXVMWPXBZLKTTD-ONEGZZNKSA-N 0 0 249.270 2.683 20 5 BFBDRN CC/C=C/CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000295488859 167854721 /nfs/dbraw/zinc/85/47/21/167854721.db2.gz AVJXKGDHZMOQGB-SNAWJCMRSA-N 0 0 248.282 2.599 20 5 BFBDRN CC1(CNc2ncccc2[N+](=O)[O-])CCC1 ZINC000226809540 168050297 /nfs/dbraw/zinc/05/02/97/168050297.db2.gz JVPAUIZIVHCCQG-UHFFFAOYSA-N 0 0 221.260 2.592 20 5 BFBDRN CC1(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000355470902 168072308 /nfs/dbraw/zinc/07/23/08/168072308.db2.gz QGEOXJGOCJMCAN-UHFFFAOYSA-N 0 0 245.238 2.696 20 5 BFBDRN CC1CC(Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000128895824 168147897 /nfs/dbraw/zinc/14/78/97/168147897.db2.gz QCVQJDSJJIROSU-UHFFFAOYSA-N 0 0 224.235 2.944 20 5 BFBDRN CCC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000280101065 168256219 /nfs/dbraw/zinc/25/62/19/168256219.db2.gz UPPLHIGPGWTEGQ-UHFFFAOYSA-N 0 0 248.282 2.788 20 5 BFBDRN CCOc1cc(N[C@@H](C)CF)ccc1[N+](=O)[O-] ZINC000340958823 170526921 /nfs/dbraw/zinc/52/69/21/170526921.db2.gz GDVJSZMOJHHREZ-QMMMGPOBSA-N 0 0 242.250 2.763 20 5 BFBDRN CCSCc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184039775 170644259 /nfs/dbraw/zinc/64/42/59/170644259.db2.gz XDEWUIBBDWALJL-UHFFFAOYSA-N 0 0 245.275 2.996 20 5 BFBDRN CC[C@@H](C)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000022157314 170761122 /nfs/dbraw/zinc/76/11/22/170761122.db2.gz JHLVSCUEPHPJLI-ZCFIWIBFSA-N 0 0 240.288 2.514 20 5 BFBDRN CC[C@@H]1CCC[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000362562762 170993188 /nfs/dbraw/zinc/99/31/88/170993188.db2.gz VQEMEFHULFHXQU-ZJUUUORDSA-N 0 0 235.287 2.980 20 5 BFBDRN CC[C@@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC000227012091 171124024 /nfs/dbraw/zinc/12/40/24/171124024.db2.gz JPKVFIBCEIZUEZ-HQJQHLMTSA-N 0 0 224.235 2.944 20 5 BFBDRN CC[C@H](C)C(=O)N(C)c1cccc([N+](=O)[O-])c1 ZINC000158340794 171247294 /nfs/dbraw/zinc/24/72/94/171247294.db2.gz CIDNNCUFZKKUFI-VIFPVBQESA-N 0 0 236.271 2.604 20 5 BFBDRN CC[C@H](C)C(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000132444771 171256278 /nfs/dbraw/zinc/25/62/78/171256278.db2.gz ZTZBUSJKKDLMPH-ZETCQYMHSA-N 0 0 241.218 2.685 20 5 BFBDRN CC[C@H](C)C[C@@H](C)Nc1ncc([N+](=O)[O-])cn1 ZINC000088299061 171295683 /nfs/dbraw/zinc/29/56/83/171295683.db2.gz MHMVHZDKEKIYEH-DTWKUNHWSA-N 0 0 238.291 2.621 20 5 BFBDRN CC[C@H](C)[N@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339031294 171307807 /nfs/dbraw/zinc/30/78/07/171307807.db2.gz DRGKWMPSXWEESD-VIFPVBQESA-N 0 0 238.287 2.531 20 5 BFBDRN CC[C@H](C)N(C)c1cc(C)c([N+](=O)[O-])cn1 ZINC000301619634 171309631 /nfs/dbraw/zinc/30/96/31/171309631.db2.gz LZEMEYPJNRSBEI-VIFPVBQESA-N 0 0 223.276 2.533 20 5 BFBDRN CC[C@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000034979399 171349725 /nfs/dbraw/zinc/34/97/25/171349725.db2.gz MOSYAZZYOMJHBB-ZETCQYMHSA-N 0 0 212.224 2.944 20 5 BFBDRN CC[C@H](COC)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000079709001 171463309 /nfs/dbraw/zinc/46/33/09/171463309.db2.gz FABWDMSMNVOHGM-SECBINFHSA-N 0 0 242.250 2.571 20 5 BFBDRN CC[C@H]1CC[C@H](C)N1c1ccc([N+](=O)[O-])cn1 ZINC000271453171 171647306 /nfs/dbraw/zinc/64/73/06/171647306.db2.gz QBCJEMKVEOBRNM-UWVGGRQHSA-N 0 0 235.287 2.757 20 5 BFBDRN CC[C@H]1[C@@H](C)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000302396037 171685634 /nfs/dbraw/zinc/68/56/34/171685634.db2.gz KCPCCGWJGDDTCD-ONGXEEELSA-N 0 0 235.287 2.615 20 5 BFBDRN CCc1noc(-c2ccc(CC)c([N+](=O)[O-])c2)n1 ZINC000267066772 172072705 /nfs/dbraw/zinc/07/27/05/172072705.db2.gz NDVOOBNDVZKAKG-UHFFFAOYSA-N 0 0 247.254 2.770 20 5 BFBDRN CCn1cc(Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000035781365 172188610 /nfs/dbraw/zinc/18/86/10/172188610.db2.gz NALJIKCRLRKBOX-UHFFFAOYSA-N 0 0 232.243 2.555 20 5 BFBDRN CCn1nc(C)c([N+](=O)[O-])c1NCCC(C)C ZINC000091549551 172248280 /nfs/dbraw/zinc/24/82/80/172248280.db2.gz LAWFYDZWCDSFMT-UHFFFAOYSA-N 0 0 240.307 2.578 20 5 BFBDRN CN(C(=O)C1CC=CC1)c1ccc([N+](=O)[O-])cc1 ZINC000077734478 172298100 /nfs/dbraw/zinc/29/81/00/172298100.db2.gz WADVWWDNCQKRRP-UHFFFAOYSA-N 0 0 246.266 2.524 20 5 BFBDRN CN(C(=O)[C@H]1CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000119624222 172332877 /nfs/dbraw/zinc/33/28/77/172332877.db2.gz RROKCVAQROXRJI-LLVKDONJSA-N 0 0 248.282 2.604 20 5 BFBDRN CN(c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000267504664 172947073 /nfs/dbraw/zinc/94/70/73/172947073.db2.gz GZYRUCRPFDZDBV-UHFFFAOYSA-N 0 0 206.245 2.584 20 5 BFBDRN COCC(C)(C)CNc1ccccc1[N+](=O)[O-] ZINC000291972589 174076425 /nfs/dbraw/zinc/07/64/25/174076425.db2.gz WHFBVUZDQMQIMK-UHFFFAOYSA-N 0 0 238.287 2.679 20 5 BFBDRN COCCCCOc1cc(C)ccc1[N+](=O)[O-] ZINC000265037421 174204614 /nfs/dbraw/zinc/20/46/14/174204614.db2.gz VHLNPYHVNYXQLV-UHFFFAOYSA-N 0 0 239.271 2.709 20 5 BFBDRN COCCCCNc1ccc(F)c([N+](=O)[O-])c1 ZINC000132478907 174205128 /nfs/dbraw/zinc/20/51/28/174205128.db2.gz JPKPOJVKLNFUGU-UHFFFAOYSA-N 0 0 242.250 2.572 20 5 BFBDRN COCC[C@@H](C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000112012979 174386621 /nfs/dbraw/zinc/38/66/21/174386621.db2.gz KZVLHNWRPNTXLZ-MRVPVSSYSA-N 0 0 242.250 2.571 20 5 BFBDRN COCC[C@@H](C)Oc1cc(F)ccc1[N+](=O)[O-] ZINC000088508367 174387507 /nfs/dbraw/zinc/38/75/07/174387507.db2.gz LZCVDFVXSGPMMB-MRVPVSSYSA-N 0 0 243.234 2.538 20 5 BFBDRN COc1cc(CSC)c([N+](=O)[O-])cc1F ZINC000183853418 174987087 /nfs/dbraw/zinc/98/70/87/174987087.db2.gz WYGJTWGCQQXECC-UHFFFAOYSA-N 0 0 231.248 2.606 20 5 BFBDRN COc1cc(NCC2CC2)c(F)cc1[N+](=O)[O-] ZINC000218840569 175001941 /nfs/dbraw/zinc/00/19/41/175001941.db2.gz VSYSDIBPSKKHCU-UHFFFAOYSA-N 0 0 240.234 2.564 20 5 BFBDRN COc1cc(NC[C@H]2C[C@H]2C)ccc1[N+](=O)[O-] ZINC000159436455 175002242 /nfs/dbraw/zinc/00/22/42/175002242.db2.gz WLRXVJVKBCUJJM-RKDXNWHRSA-N 0 0 236.271 2.671 20 5 BFBDRN COc1ccc(OCC(C)C)cc1[N+](=O)[O-] ZINC000190182871 175171722 /nfs/dbraw/zinc/17/17/22/175171722.db2.gz CXLBNDGXJVVYQT-UHFFFAOYSA-N 0 0 225.244 2.638 20 5 BFBDRN COc1ccc(OCC2CCC2)cc1[N+](=O)[O-] ZINC000190182602 175171725 /nfs/dbraw/zinc/17/17/25/175171725.db2.gz WXLLMGZFKOHDJG-UHFFFAOYSA-N 0 0 237.255 2.782 20 5 BFBDRN COc1cccc(N(C)CC(C)C)c1[N+](=O)[O-] ZINC000355339389 175275570 /nfs/dbraw/zinc/27/55/70/175275570.db2.gz ZJQHJQYQZXNQGL-UHFFFAOYSA-N 0 0 238.287 2.696 20 5 BFBDRN CSCCCCNc1ccncc1[N+](=O)[O-] ZINC000124696988 175475891 /nfs/dbraw/zinc/47/58/91/175475891.db2.gz WUVIFGLHTDAZNX-UHFFFAOYSA-N 0 0 241.316 2.545 20 5 BFBDRN CSCCOc1ccc([N+](=O)[O-])cc1Cl ZINC000194585369 175501280 /nfs/dbraw/zinc/50/12/80/175501280.db2.gz ZFPYKOBXTAWTNB-UHFFFAOYSA-N 0 0 247.703 2.990 20 5 BFBDRN C[C@@H](NC(=O)C1(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000124370063 175826000 /nfs/dbraw/zinc/82/60/00/175826000.db2.gz VJHPWEXAXINVQN-SECBINFHSA-N 0 0 248.282 2.572 20 5 BFBDRN C[C@@H]1CCC[C@@H](Cn2nccc2[N+](=O)[O-])C1 ZINC000185523605 176119966 /nfs/dbraw/zinc/11/99/66/176119966.db2.gz JFDAJWRNODOJJQ-NXEZZACHSA-N 0 0 223.276 2.618 20 5 BFBDRN C[C@@H]1CCC[C@@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000226772610 176132548 /nfs/dbraw/zinc/13/25/48/176132548.db2.gz SGAAVWOJPMIKRE-RQJHMYQMSA-N 0 0 227.289 2.652 20 5 BFBDRN C[C@@H]1CC[C@H](CNc2ccccc2[N+](=O)[O-])O1 ZINC000128027496 176227430 /nfs/dbraw/zinc/22/74/30/176227430.db2.gz XWSWXSXWOJQXNJ-NXEZZACHSA-N 0 0 236.271 2.574 20 5 BFBDRN C[C@@H]1C[C@@H](C)CN(c2ncc([N+](=O)[O-])s2)C1 ZINC000190300098 176361989 /nfs/dbraw/zinc/36/19/89/176361989.db2.gz XFOQSQZRNSBOJS-HTQZYQBOSA-N 0 0 241.316 2.534 20 5 BFBDRN C[C@H](CO)CS/C=C/c1ccc([N+](=O)[O-])o1 ZINC000284299337 176695418 /nfs/dbraw/zinc/69/54/18/176695418.db2.gz ROFOYZVVOQCLJI-WTSVBCDHSA-N 0 0 243.284 2.520 20 5 BFBDRN C[C@H](F)CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000338752347 176741522 /nfs/dbraw/zinc/74/15/22/176741522.db2.gz GNWGPMBHNMXIGZ-ZETCQYMHSA-N 0 0 230.214 2.894 20 5 BFBDRN C[C@H](N(C)c1ncccc1[N+](=O)[O-])C1(C)CC1 ZINC000267816493 176745929 /nfs/dbraw/zinc/74/59/29/176745929.db2.gz VRTQWITZJCVRFX-VIFPVBQESA-N 0 0 235.287 2.615 20 5 BFBDRN C[C@H](Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000035135043 176934317 /nfs/dbraw/zinc/93/43/17/176934317.db2.gz SFIXFUZUMDDSIA-QMMMGPOBSA-N 0 0 206.245 2.805 20 5 BFBDRN C[C@H]1CC2(CCC2)CN1c1ccc([N+](=O)[O-])cn1 ZINC000373017744 177068132 /nfs/dbraw/zinc/06/81/32/177068132.db2.gz FPNJWOLTPVQSJA-JTQLQIEISA-N 0 0 247.298 2.759 20 5 BFBDRN C[C@H]1CCCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000190322453 177105226 /nfs/dbraw/zinc/10/52/26/177105226.db2.gz LCLJIMIILVOLEB-QMMMGPOBSA-N 0 0 241.316 2.678 20 5 BFBDRN C[C@H]1CCC[C@@H](Cn2nccc2[N+](=O)[O-])C1 ZINC000185523624 177120413 /nfs/dbraw/zinc/12/04/13/177120413.db2.gz JFDAJWRNODOJJQ-VHSXEESVSA-N 0 0 223.276 2.618 20 5 BFBDRN C[C@H]1CCC[C@@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000226772616 177126538 /nfs/dbraw/zinc/12/65/38/177126538.db2.gz SGAAVWOJPMIKRE-BQBZGAKWSA-N 0 0 227.289 2.652 20 5 BFBDRN C[C@H]1CCC[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000070833046 177126604 /nfs/dbraw/zinc/12/66/04/177126604.db2.gz NILUGDITNRASGD-IUCAKERBSA-N 0 0 221.260 2.590 20 5 BFBDRN C[C@H]1CCC[C@@H]1Nc1ccc(N)cc1[N+](=O)[O-] ZINC000287985628 177127145 /nfs/dbraw/zinc/12/71/45/177127145.db2.gz RLVOUTOIFGIZTQ-WPRPVWTQSA-N 0 0 235.287 2.778 20 5 BFBDRN C[C@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000078512093 177141956 /nfs/dbraw/zinc/14/19/56/177141956.db2.gz LKFAKGFSKFRLFL-JOYOIKCWSA-N 0 0 248.282 2.513 20 5 BFBDRN C[C@H]1CCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000054269516 177171214 /nfs/dbraw/zinc/17/12/14/177171214.db2.gz NZHXHWFDIQLHFC-QMMMGPOBSA-N 0 0 224.235 2.580 20 5 BFBDRN C[C@@H]1[C@@H](C)CCN1c1ccccc1[N+](=O)[O-] ZINC000301489036 177172154 /nfs/dbraw/zinc/17/21/54/177172154.db2.gz KIKUVKLJHNNRLQ-VHSXEESVSA-N 0 0 220.272 2.830 20 5 BFBDRN C[C@H]1CCN(c2ncccc2[N+](=O)[O-])C[C@H](C)C1 ZINC000301787371 177172798 /nfs/dbraw/zinc/17/27/98/177172798.db2.gz WZRDQVMYMNXXRG-WDEREUQCSA-N 0 0 249.314 2.862 20 5 BFBDRN C[C@H]1CC[C@@H](COc2ccc([N+](=O)[O-])cc2)O1 ZINC000190597174 177190705 /nfs/dbraw/zinc/19/07/05/177190705.db2.gz KDQKQYUDBXWRAH-CABZTGNLSA-N 0 0 237.255 2.541 20 5 BFBDRN C[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000301760111 177310107 /nfs/dbraw/zinc/31/01/07/177310107.db2.gz CAJCKDPOXIRPGY-QWRGUYRKSA-N 0 0 249.314 2.862 20 5 BFBDRN C[C@H]1C[C@H]1CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000357303753 177382132 /nfs/dbraw/zinc/38/21/32/177382132.db2.gz ONFRFJZOWBBBQL-IUCAKERBSA-N 0 0 247.298 2.631 20 5 BFBDRN 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BFBDRN CC(C)C(C)(C)Nc1ccc([N+](=O)[O-])cn1 ZINC000563245605 323106662 /nfs/dbraw/zinc/10/66/62/323106662.db2.gz QXIKPUNOCUZDCE-UHFFFAOYSA-N 0 0 223.276 2.836 20 5 BFBDRN CC(C)(NC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000535743841 323190136 /nfs/dbraw/zinc/19/01/36/323190136.db2.gz VHJSJRXAIRGRSU-UHFFFAOYSA-N 0 0 248.282 2.513 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[C@H]2C)n1 ZINC000162622947 323632154 /nfs/dbraw/zinc/63/21/54/323632154.db2.gz YMLIZIPSEHSMMM-PSASIEDQSA-N 0 0 235.287 2.899 20 5 BFBDRN CC(C)OC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000057464843 323927739 /nfs/dbraw/zinc/92/77/39/323927739.db2.gz BXQLPUREKDLDEQ-UHFFFAOYSA-N 0 0 243.646 2.813 20 5 BFBDRN CCc1ccc(OCC2CC2)c([N+](=O)[O-])c1 ZINC000130140594 325017926 /nfs/dbraw/zinc/01/79/26/325017926.db2.gz CCKWBNCJKGMVID-UHFFFAOYSA-N 0 0 221.256 2.946 20 5 BFBDRN C[C@H]1C[C@H]1c1noc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000547183876 325330622 /nfs/dbraw/zinc/33/06/22/325330622.db2.gz ZAUWMUNJDXNCSZ-OIBJUYFYSA-N 0 0 245.238 2.768 20 5 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C[C@H]1C[C@H](C)N(c2ccc([N+](=O)[O-])s2)C1 ZINC000610685155 491122152 /nfs/dbraw/zinc/12/21/52/491122152.db2.gz AYPYRWUMJMFXBM-YUMQZZPRSA-N 0 0 226.301 2.891 20 5 BFBDRN Cc1cnc(NCc2ccoc2)c([N+](=O)[O-])c1 ZINC000135266691 491125255 /nfs/dbraw/zinc/12/52/55/491125255.db2.gz MUNRPBGNPPTEAZ-UHFFFAOYSA-N 0 0 233.227 2.503 20 5 BFBDRN C[C@H]1CCCCN(c2cccnc2[N+](=O)[O-])C1 ZINC000613896362 491133808 /nfs/dbraw/zinc/13/38/08/491133808.db2.gz WMRLISVUZKGSDN-JTQLQIEISA-N 0 0 235.287 2.616 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3C[C@H]32)c1 ZINC000804688733 582526257 /nfs/dbraw/zinc/52/62/57/582526257.db2.gz MGUJZRMPWSQESW-GXSJLCMTSA-N 0 0 218.256 2.502 20 5 BFBDRN O=[N+]([O-])c1cc(Cl)ccc1N1CC[C@H]2C[C@H]21 ZINC000804689895 582527335 /nfs/dbraw/zinc/52/73/35/582527335.db2.gz UTMKENXZZVYFTL-OIBJUYFYSA-N 0 0 238.674 2.847 20 5 BFBDRN CC[C@@H](C)CNc1ncc([N+](=O)[O-])s1 ZINC000226772348 535526437 /nfs/dbraw/zinc/52/64/37/535526437.db2.gz ZMFPTWAGJYRQOW-ZCFIWIBFSA-N 0 0 215.278 2.509 20 5 BFBDRN C[C@@H]1CC[C@H]1Nc1c(F)cccc1[N+](=O)[O-] ZINC000309408812 534263864 /nfs/dbraw/zinc/26/38/64/534263864.db2.gz IJRJBRWESSQHQX-VXNVDRBHSA-N 0 0 224.235 2.944 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2[C@@H]3CCC[C@@H]32)n1 ZINC000486466210 534329638 /nfs/dbraw/zinc/32/96/38/534329638.db2.gz JRZVNXPLXCLVET-DOFRTFSJSA-N 0 0 233.271 2.509 20 5 BFBDRN CC1=C[C@@H](C)CN(c2ccccc2[N+](=O)[O-])C1 ZINC000485429030 528132005 /nfs/dbraw/zinc/13/20/05/528132005.db2.gz FJKNGMOCVXOQPA-SNVBAGLBSA-N 0 0 232.283 2.997 20 5 BFBDRN CCCCn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000076107086 535153308 /nfs/dbraw/zinc/15/33/08/535153308.db2.gz XTHZLQJVJPYZBZ-UHFFFAOYSA-N 0 0 246.270 2.653 20 5 BFBDRN CC[C@H]1C[C@@H]1Nc1nc(C)ccc1[N+](=O)[O-] ZINC000222991687 536172579 /nfs/dbraw/zinc/17/25/79/536172579.db2.gz NIFHFISZWIHEAW-IUCAKERBSA-N 0 0 221.260 2.509 20 5 BFBDRN Cc1ccc(N2C[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000853650996 588752333 /nfs/dbraw/zinc/75/23/33/588752333.db2.gz ZEPPROKCLKLASJ-NXEZZACHSA-N 0 0 220.272 2.748 20 5 BFBDRN CC[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000111677989 588766231 /nfs/dbraw/zinc/76/62/31/588766231.db2.gz VYSVSXHBJQPPCU-SSDOTTSWSA-N 0 0 241.218 2.689 20 5 BFBDRN Nc1ccc(NCC2=CCCC2)c([N+](=O)[O-])c1 ZINC000853916988 588768924 /nfs/dbraw/zinc/76/89/24/588768924.db2.gz KXMAKLCSJBBPFV-UHFFFAOYSA-N 0 0 233.271 2.699 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CCC[C@@H](F)C2)c(F)c1 ZINC000804685293 582524964 /nfs/dbraw/zinc/52/49/64/582524964.db2.gz FYVJJEXQFRJSSW-MRVPVSSYSA-N 0 0 242.225 2.672 20 5 BFBDRN Cc1nn([C@H]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000335209795 582681799 /nfs/dbraw/zinc/68/17/99/582681799.db2.gz VOCDRBDUQMVURU-WPRPVWTQSA-N 0 0 223.276 2.851 20 5 BFBDRN O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1C=CCC1 ZINC000829347792 582856154 /nfs/dbraw/zinc/85/61/54/582856154.db2.gz OMRNPXAROCLCLM-QMMMGPOBSA-N 0 0 239.662 2.774 20 5 BFBDRN C[C@@H](OC(=O)CCF)c1cccc([N+](=O)[O-])c1 ZINC000892612287 582929276 /nfs/dbraw/zinc/92/92/76/582929276.db2.gz VYDSTZKBSYSLGG-MRVPVSSYSA-N 0 0 241.218 2.559 20 5 BFBDRN O=[N+]([O-])c1cc(NC2CC=CC2)cc([N+](=O)[O-])c1 ZINC000892918677 583009222 /nfs/dbraw/zinc/00/92/22/583009222.db2.gz ZTUADOUEZKBIAD-UHFFFAOYSA-N 0 0 249.226 2.634 20 5 BFBDRN CCCC[C@H](C(=O)O[C@H](C)C[N+](=O)[O-])C(C)C ZINC000857030908 588882983 /nfs/dbraw/zinc/88/29/83/588882983.db2.gz KGYPPENFDUZFLL-MNOVXSKESA-N 0 0 245.319 2.657 20 5 BFBDRN CCCCCC(C)(C)C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814042265 583339011 /nfs/dbraw/zinc/33/90/11/583339011.db2.gz VGENTSLRXMBKBD-SNVBAGLBSA-N 0 0 245.319 2.801 20 5 BFBDRN Cc1cccc([N+](=O)[O-])c1NCc1ccon1 ZINC000147479561 583549807 /nfs/dbraw/zinc/54/98/07/583549807.db2.gz RWPOYTPNSPZRAS-UHFFFAOYSA-N 0 0 233.227 2.503 20 5 BFBDRN C[C@H]1CCC[C@@H]1Nc1ccnc(F)c1[N+](=O)[O-] ZINC000881923438 583588304 /nfs/dbraw/zinc/58/83/04/583588304.db2.gz JRZLCLIMDYSTAM-YUMQZZPRSA-N 0 0 239.250 2.729 20 5 BFBDRN Cc1cc(N2CCC(F)CC2)c([N+](=O)[O-])s1 ZINC000882805052 583641022 /nfs/dbraw/zinc/64/10/22/583641022.db2.gz KVKKFTXWACDCCF-UHFFFAOYSA-N 0 0 244.291 2.903 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CC[C@H](CF)C2)c(F)c1 ZINC000882838698 583642814 /nfs/dbraw/zinc/64/28/14/583642814.db2.gz UBCWIHFNMNEKMT-MRVPVSSYSA-N 0 0 242.225 2.530 20 5 BFBDRN CC(C)(/C=C/Cl)Nc1ncccc1[N+](=O)[O-] ZINC000895915693 583746466 /nfs/dbraw/zinc/74/64/66/583746466.db2.gz HKWHQCRKBKJVOU-AATRIKPKSA-N 0 0 241.678 2.933 20 5 BFBDRN Nc1ccc([N+](=O)[O-])c(NCCC2CC=CC2)c1 ZINC000896093786 583771483 /nfs/dbraw/zinc/77/14/83/583771483.db2.gz HFYAKONMFMQQCN-UHFFFAOYSA-N 0 0 247.298 2.945 20 5 BFBDRN CCC[C@H](O)CCNc1sccc1[N+](=O)[O-] ZINC000896187741 583781247 /nfs/dbraw/zinc/78/12/47/583781247.db2.gz SVGZGSWUWDRESI-QMMMGPOBSA-N 0 0 244.316 2.619 20 5 BFBDRN CCc1ccc(OC(=O)C2CCC2)c([N+](=O)[O-])c1 ZINC000115926988 588937983 /nfs/dbraw/zinc/93/79/83/588937983.db2.gz PIAKJXKGZOJBLQ-UHFFFAOYSA-N 0 0 249.266 2.863 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@@H]2C[C@@H]3CCC[C@H]23)nc1 ZINC000897176754 583890141 /nfs/dbraw/zinc/89/01/41/583890141.db2.gz DAQQXWSUHRIUMK-INTQDDNPSA-N 0 0 233.271 2.590 20 5 BFBDRN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000897181569 583891952 /nfs/dbraw/zinc/89/19/52/583891952.db2.gz GASHMHVPCJUNBI-MVWJERBFSA-N 0 0 247.298 2.899 20 5 BFBDRN C[C@@H]1CC=CC[C@H]1Nc1cc(N)ccc1[N+](=O)[O-] ZINC000897392764 583948660 /nfs/dbraw/zinc/94/86/60/583948660.db2.gz NEWMGSAEVLYUCO-MWLCHTKSSA-N 0 0 247.298 2.944 20 5 BFBDRN Cc1ccc(C(C)C)c(OCC[N+](=O)[O-])c1 ZINC000899231968 584183350 /nfs/dbraw/zinc/18/33/50/584183350.db2.gz VQOGRAULAWWVRC-UHFFFAOYSA-N 0 0 223.272 2.774 20 5 BFBDRN O=[N+]([O-])CCSc1ccc2c(c1)CCC2 ZINC000899865565 584245543 /nfs/dbraw/zinc/24/55/43/584245543.db2.gz IGHRKTOCDXJDEF-UHFFFAOYSA-N 0 0 223.297 2.544 20 5 BFBDRN COC/C(C)=C/COc1ccccc1[N+](=O)[O-] ZINC000901374428 584434823 /nfs/dbraw/zinc/43/48/23/584434823.db2.gz ZXHNDCYGLVDOSK-JXMROGBWSA-N 0 0 237.255 2.566 20 5 BFBDRN C[C@H](SC1COC1)c1cccc([N+](=O)[O-])c1 ZINC000901642802 584474367 /nfs/dbraw/zinc/47/43/67/584474367.db2.gz BCGOSAWCYNGAQA-QMMMGPOBSA-N 0 0 239.296 2.788 20 5 BFBDRN Cc1nn(CCCC(C)(F)F)cc1[N+](=O)[O-] ZINC000902324562 584560490 /nfs/dbraw/zinc/56/04/90/584560490.db2.gz MMLMPKZPCGIONS-UHFFFAOYSA-N 0 0 233.218 2.535 20 5 BFBDRN O=[N+]([O-])c1cc(F)cc(F)c1OCC1CC1 ZINC000902696542 584654294 /nfs/dbraw/zinc/65/42/94/584654294.db2.gz DBUBXVJYALAJJU-UHFFFAOYSA-N 0 0 229.182 2.662 20 5 BFBDRN C[Si](C)(C)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000731158440 584923052 /nfs/dbraw/zinc/92/30/52/584923052.db2.gz MKEYBCKXFZRUHK-UHFFFAOYSA-N 0 0 243.310 2.990 20 5 BFBDRN CC(C)=CC(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000766054009 584939570 /nfs/dbraw/zinc/93/95/70/584939570.db2.gz TZVZAMWFTKFQJX-UHFFFAOYSA-N 0 0 235.239 2.604 20 5 BFBDRN O=[N+]([O-])c1ccccc1Oc1nccs1 ZINC000746988666 585174023 /nfs/dbraw/zinc/17/40/23/585174023.db2.gz XCCNMJZDFFWYLU-UHFFFAOYSA-N 0 0 222.225 2.844 20 5 BFBDRN O=[N+]([O-])c1ccccc1NCc1cccc(F)n1 ZINC000747845150 585185080 /nfs/dbraw/zinc/18/50/80/585185080.db2.gz OQULJVAULBHLKV-UHFFFAOYSA-N 0 0 247.229 2.741 20 5 BFBDRN CCC1(C(=O)OCc2cccc([N+](=O)[O-])c2)CC1 ZINC000750185504 585212001 /nfs/dbraw/zinc/21/20/01/585212001.db2.gz QSUMKDWDRGGCHZ-UHFFFAOYSA-N 0 0 249.266 2.828 20 5 BFBDRN CC(C)C1CN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000753821442 585270241 /nfs/dbraw/zinc/27/02/41/585270241.db2.gz IFKPYQOJUQAPIX-UHFFFAOYSA-N 0 0 238.262 2.826 20 5 BFBDRN C/C=C\C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000755023442 585293525 /nfs/dbraw/zinc/29/35/25/585293525.db2.gz AKKMJTWXNGZGND-PLNGDYQASA-N 0 0 234.255 2.726 20 5 BFBDRN Cc1ccc(OC(=O)/C=C\C2CC2)cc1[N+](=O)[O-] ZINC000755250443 585296896 /nfs/dbraw/zinc/29/68/96/585296896.db2.gz HPXSGJWGBACNNB-ALCCZGGFSA-N 0 0 247.250 2.775 20 5 BFBDRN C[C@H]1C[C@H](C)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000756968663 585325758 /nfs/dbraw/zinc/32/57/58/585325758.db2.gz HDVPNUBERCFVJH-UWVGGRQHSA-N 0 0 220.272 2.830 20 5 BFBDRN CCOCOc1ccc(CC)cc1[N+](=O)[O-] ZINC000758385826 585355591 /nfs/dbraw/zinc/35/55/91/585355591.db2.gz WLPUGFNAIFHCSF-UHFFFAOYSA-N 0 0 225.244 2.530 20 5 BFBDRN C/C=C(/C)C(=O)Oc1c(C)cccc1[N+](=O)[O-] ZINC000760023849 585383925 /nfs/dbraw/zinc/38/39/25/585383925.db2.gz XGTHIZKBSQAKQW-YWEYNIOJSA-N 0 0 235.239 2.775 20 5 BFBDRN CC[C@@H](C)C(=O)Oc1c(C)cccc1[N+](=O)[O-] ZINC000760020105 585384482 /nfs/dbraw/zinc/38/44/82/585384482.db2.gz XCKAPOBHXLIBBA-MRVPVSSYSA-N 0 0 237.255 2.855 20 5 BFBDRN Cc1cccc(C(=O)O[C@@H](C)C2CC2)c1[N+](=O)[O-] ZINC000764383912 585464437 /nfs/dbraw/zinc/46/44/37/585464437.db2.gz RZUXQWAZNBUBSL-VIFPVBQESA-N 0 0 249.266 2.859 20 5 BFBDRN CC1CN(c2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000768490659 585539374 /nfs/dbraw/zinc/53/93/74/585539374.db2.gz XDMWCDSETCSOCE-UHFFFAOYSA-N 0 0 249.295 2.661 20 5 BFBDRN CC(C)C1CN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000774537599 585660968 /nfs/dbraw/zinc/66/09/68/585660968.db2.gz WOWVFROGDNHIPD-UHFFFAOYSA-N 0 0 220.272 2.687 20 5 BFBDRN C[C@H](CSCC[N+](=O)[O-])c1ccccc1 ZINC000775194742 585673438 /nfs/dbraw/zinc/67/34/38/585673438.db2.gz OJWMFYSFAQINLM-SNVBAGLBSA-N 0 0 225.313 2.800 20 5 BFBDRN O=[N+]([O-])CCSCc1ccc(Cl)cc1 ZINC000775191476 585673517 /nfs/dbraw/zinc/67/35/17/585673517.db2.gz HYBJZSUEDULWTM-UHFFFAOYSA-N 0 0 231.704 2.850 20 5 BFBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)C1CC1 ZINC000778744582 585740096 /nfs/dbraw/zinc/74/00/96/585740096.db2.gz XHQGYYHGKHBPAP-SECBINFHSA-N 0 0 249.266 2.917 20 5 BFBDRN C[C@H]1CC[C@H](OC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000779265106 585749278 /nfs/dbraw/zinc/74/92/78/585749278.db2.gz QLKVAWFCIAHENI-UWVGGRQHSA-N 0 0 249.266 2.940 20 5 BFBDRN Cc1cc(C(=O)O[C@H]2C=CCC2)ccc1[N+](=O)[O-] ZINC000780552135 585780631 /nfs/dbraw/zinc/78/06/31/585780631.db2.gz MZZUGIBJHIZKJI-NSHDSACASA-N 0 0 247.250 2.779 20 5 BFBDRN C/C=C(\C)C(=O)OCc1ccc([N+](=O)[O-])c(C)c1 ZINC000781172586 585792065 /nfs/dbraw/zinc/79/20/65/585792065.db2.gz YKDZUJDXIKEEBV-RUDMXATFSA-N 0 0 249.266 2.913 20 5 BFBDRN Cc1ccc(N2CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000788576615 585927332 /nfs/dbraw/zinc/92/73/32/585927332.db2.gz MYAAMZBYFARHIN-UHFFFAOYSA-N 0 0 220.272 2.749 20 5 BFBDRN Cc1ccc(-c2cn3c(n2)CCC3)cc1[N+](=O)[O-] ZINC000788866069 585931482 /nfs/dbraw/zinc/93/14/82/585931482.db2.gz BBCGFRUEUNLKHG-UHFFFAOYSA-N 0 0 243.266 2.713 20 5 BFBDRN C[C@H](COC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000789611123 585946629 /nfs/dbraw/zinc/94/66/29/585946629.db2.gz XWUWYKUDWRGSGW-SECBINFHSA-N 0 0 249.266 2.798 20 5 BFBDRN O=[N+]([O-])c1ccc(SCc2ncccn2)cc1 ZINC000790565635 585966300 /nfs/dbraw/zinc/96/63/00/585966300.db2.gz ROEWIVPLVAPVJV-UHFFFAOYSA-N 0 0 247.279 2.677 20 5 BFBDRN CCSCOc1cccc([N+](=O)[O-])c1 ZINC000791426748 585981102 /nfs/dbraw/zinc/98/11/02/585981102.db2.gz HXIYSMDSYYTGGR-UHFFFAOYSA-N 0 0 213.258 2.684 20 5 BFBDRN CCSCOc1ccccc1[N+](=O)[O-] ZINC000791428531 585981126 /nfs/dbraw/zinc/98/11/26/585981126.db2.gz YGPIRDWPQFUAQJ-UHFFFAOYSA-N 0 0 213.258 2.684 20 5 BFBDRN CCSCOc1cc(F)ccc1[N+](=O)[O-] ZINC000791427923 585981171 /nfs/dbraw/zinc/98/11/71/585981171.db2.gz SQCJJHSJCAVQQJ-UHFFFAOYSA-N 0 0 231.248 2.823 20 5 BFBDRN CCSCOc1cc([N+](=O)[O-])ccc1OC 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CCC(CC)COC(=O)c1ccc([N+](=O)[O-])o1 ZINC000798893376 586152925 /nfs/dbraw/zinc/15/29/25/586152925.db2.gz CXVJDJRFNAEHNA-UHFFFAOYSA-N 0 0 241.243 2.781 20 5 BFBDRN CC1(C)C[C@H]1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000800852196 586234673 /nfs/dbraw/zinc/23/46/73/586234673.db2.gz XRPXMXXGBKEZDH-QMMMGPOBSA-N 0 0 235.287 2.635 20 5 BFBDRN C[C@@H]1C[C@@H](C)N1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801554544 586261893 /nfs/dbraw/zinc/26/18/93/586261893.db2.gz KGNBYCOFLKBDLT-RKDXNWHRSA-N 0 0 238.262 2.717 20 5 BFBDRN Cc1cccc([N+](=O)[O-])c1C(=O)OC[C@@H]1C[C@H]1C ZINC000859462770 589039183 /nfs/dbraw/zinc/03/91/83/589039183.db2.gz TUCBEQYJQXMBNS-ZJUUUORDSA-N 0 0 249.266 2.716 20 5 BFBDRN CC(C)CCN(C)c1ccc(N)cc1[N+](=O)[O-] ZINC000804362266 586392804 /nfs/dbraw/zinc/39/28/04/586392804.db2.gz WYXOXIZCHHEAST-UHFFFAOYSA-N 0 0 237.303 2.659 20 5 BFBDRN C[C@H](CNc1ccc(N)cc1[N+](=O)[O-])C1CC1 ZINC000804374788 586394130 /nfs/dbraw/zinc/39/41/30/586394130.db2.gz DQPDXPBKIMTQNC-MRVPVSSYSA-N 0 0 235.287 2.635 20 5 BFBDRN CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1C[C@@H]1C ZINC000804380045 586394261 /nfs/dbraw/zinc/39/42/61/586394261.db2.gz FAQXQIPZCGWVFI-WPRPVWTQSA-N 0 0 248.282 2.865 20 5 BFBDRN Nc1ccc(NCCC2CCC2)c([N+](=O)[O-])c1 ZINC000804543242 586398822 /nfs/dbraw/zinc/39/88/22/586398822.db2.gz UVVSJRIXQNDGNN-UHFFFAOYSA-N 0 0 235.287 2.779 20 5 BFBDRN CC[C@]1(C)CCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000804547165 586399907 /nfs/dbraw/zinc/39/99/07/586399907.db2.gz RSLIDOWMNDLWSM-CYBMUJFWSA-N 0 0 249.314 2.803 20 5 BFBDRN CC(=O)c1cc([N+](=O)[O-])ccc1NC1CC=CC1 ZINC000804551958 586399974 /nfs/dbraw/zinc/39/99/74/586399974.db2.gz XPSYEQBYRRQRGF-UHFFFAOYSA-N 0 0 246.266 2.928 20 5 BFBDRN CCCC[C@H](CC)CC(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813110056 586593042 /nfs/dbraw/zinc/59/30/42/586593042.db2.gz ZCGHVDLTGARTKN-MNOVXSKESA-N 0 0 245.319 2.801 20 5 BFBDRN CCCCCC[C@@H](C)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813110114 586593066 /nfs/dbraw/zinc/59/30/66/586593066.db2.gz ZPFYWFONWDZTLS-MNOVXSKESA-N 0 0 245.319 2.801 20 5 BFBDRN CCCC[C@H](CC)CC(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813110058 586593080 /nfs/dbraw/zinc/59/30/80/586593080.db2.gz ZCGHVDLTGARTKN-QWRGUYRKSA-N 0 0 245.319 2.801 20 5 BFBDRN CC[C@@H](C)CON=c1cc(C)c([N+](=O)[O-])c[n-]1 ZINC000813621845 586604280 /nfs/dbraw/zinc/60/42/80/586604280.db2.gz HFTWNADETMXJTM-MRVPVSSYSA-N 0 0 239.275 2.688 20 5 BFBDRN C[C@@H](C[N+](=O)[O-])OC(=O)CCCC1CCCC1 ZINC000814038669 586612158 /nfs/dbraw/zinc/61/21/58/586612158.db2.gz GCTVIPYBPVXIFA-JTQLQIEISA-N 0 0 243.303 2.555 20 5 BFBDRN CCCC[C@@H](CC)CC(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814038083 586612228 /nfs/dbraw/zinc/61/22/28/586612228.db2.gz LVLAVWAAPSQIIS-GHMZBOCLSA-N 0 0 245.319 2.801 20 5 BFBDRN C[C@@H](CC(=O)O[C@H](C)C[N+](=O)[O-])CC(C)(C)C ZINC000814043102 586612646 /nfs/dbraw/zinc/61/26/46/586612646.db2.gz SXYZYIGJDIWDAF-VHSXEESVSA-N 0 0 245.319 2.657 20 5 BFBDRN CCSCOc1cc(F)cc([N+](=O)[O-])c1 ZINC000814756100 586632329 /nfs/dbraw/zinc/63/23/29/586632329.db2.gz XFGKLRCYVUCJMR-UHFFFAOYSA-N 0 0 231.248 2.823 20 5 BFBDRN CCC[C@H](CC)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822837305 587188702 /nfs/dbraw/zinc/18/87/02/587188702.db2.gz VVSYAQXMIFZWDU-JTQLQIEISA-N 0 0 244.335 2.517 20 5 BFBDRN Nc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000826762905 587361352 /nfs/dbraw/zinc/36/13/52/587361352.db2.gz YBHCASXWZWJUQK-DVVUODLYSA-N 0 0 247.298 2.778 20 5 BFBDRN Cc1ccc(N2CC3(CC3)C2)c([N+](=O)[O-])c1 ZINC000828364630 587438470 /nfs/dbraw/zinc/43/84/70/587438470.db2.gz HGJAJIRWNWPDSB-UHFFFAOYSA-N 0 0 218.256 2.503 20 5 BFBDRN Cc1c(OC(=O)C23CC(C2)C3)cccc1[N+](=O)[O-] ZINC000860479870 589102615 /nfs/dbraw/zinc/10/26/15/589102615.db2.gz XOOVAOUNIPOUDE-UHFFFAOYSA-N 0 0 247.250 2.609 20 5 BFBDRN CC[C@@H]1C[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000835086262 587781602 /nfs/dbraw/zinc/78/16/02/587781602.db2.gz CVZNRCUVYRIUID-ZYHUDNBSSA-N 0 0 249.266 2.684 20 5 BFBDRN CCC[C@H](CC)OC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835227155 587790269 /nfs/dbraw/zinc/79/02/69/587790269.db2.gz 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GCBYTUNPGDTCFJ-UHFFFAOYSA-N 0 0 244.197 2.674 20 5 BFBDRN CC(C)(F)CNc1cccc(F)c1[N+](=O)[O-] ZINC000865987331 589471550 /nfs/dbraw/zinc/47/15/50/589471550.db2.gz YZLCDLSJXSKIAM-UHFFFAOYSA-N 0 0 230.214 2.894 20 5 BFBDRN CS[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000866101995 589476135 /nfs/dbraw/zinc/47/61/35/589476135.db2.gz YQKRNBLOPOBQET-HOMQSWHASA-N 0 0 238.312 2.901 20 5 BFBDRN CC[C@@H](C[C@@H](C)O)Nc1ccc([N+](=O)[O-])s1 ZINC000866299593 589484437 /nfs/dbraw/zinc/48/44/37/589484437.db2.gz LVWFGEJBRFQYKG-SFYZADRCSA-N 0 0 244.316 2.618 20 5 BFBDRN Cc1cn(C[C@H](C)C(C)(C)C)nc1[N+](=O)[O-] ZINC000871749897 589802820 /nfs/dbraw/zinc/80/28/20/589802820.db2.gz RUONFRPYLNEEMM-VIFPVBQESA-N 0 0 225.292 2.782 20 5 BFBDRN Cc1noc(-c2c(C)ccc([N+](=O)[O-])c2C)n1 ZINC000871823488 589821536 /nfs/dbraw/zinc/82/15/36/589821536.db2.gz NEMJJNXZBHIHEY-UHFFFAOYSA-N 0 0 233.227 2.570 20 5 BFBDRN Nc1ccc([N+](=O)[O-])c(N[C@@H]2CC23CCC3)c1 ZINC000872775097 589968057 /nfs/dbraw/zinc/96/80/57/589968057.db2.gz OJHHSPQPCDFJKR-LLVKDONJSA-N 0 0 233.271 2.532 20 5 BFBDRN CCn1ncc(Nc2ccc([N+](=O)[O-])cc2)c1C ZINC000872778078 589969143 /nfs/dbraw/zinc/96/91/43/589969143.db2.gz ADBSFMVWBMDLFL-UHFFFAOYSA-N 0 0 246.270 2.863 20 5 BFBDRN CSCC[C@@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000124762358 590084158 /nfs/dbraw/zinc/08/41/58/590084158.db2.gz TXELAQNWLSLPIT-MRVPVSSYSA-N 0 0 241.316 2.543 20 5 BFBDRN Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@H]1CC1(C)C ZINC000124772926 590084850 /nfs/dbraw/zinc/08/48/50/590084850.db2.gz VBWAYSXNJVEPGC-SNVBAGLBSA-N 0 0 249.266 2.855 20 5 BFBDRN O=[N+]([O-])c1ccc(N2C3CCC2CC3)cc1 ZINC000874324046 590103546 /nfs/dbraw/zinc/10/35/46/590103546.db2.gz JPZGSWAJZZWNIL-UHFFFAOYSA-N 0 0 218.256 2.726 20 5 BFBDRN C/C=C/C=C\C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000209382338 590163654 /nfs/dbraw/zinc/16/36/54/590163654.db2.gz YCOYWYBVGIORDG-OQIXSKIXSA-N 0 0 247.250 2.770 20 5 BFBDRN C=C/C=C\CCn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000877888745 590440173 /nfs/dbraw/zinc/44/01/73/590440173.db2.gz MBWHFJNNJCKLDX-ARJAWSKDSA-N 0 0 233.271 2.801 20 5 BFBDRN CC(C)[C@H](C)OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000127959960 590852446 /nfs/dbraw/zinc/85/24/46/590852446.db2.gz CREHJMLLDAAZJL-VIFPVBQESA-N 0 0 237.255 2.796 20 5 BFBDRN O=[N+]([O-])c1ncccc1OC/C(Cl)=C/Cl ZINC000128697236 591152339 /nfs/dbraw/zinc/15/23/39/591152339.db2.gz NWFZRPZNJYOHTB-XQRVVYSFSA-N 0 0 249.053 2.688 20 5 BFBDRN CCCN(C)c1cccc([N+](=O)[O-])c1C(C)=O ZINC000881863575 591275190 /nfs/dbraw/zinc/27/51/90/591275190.db2.gz BXYZJDSEQRAMKS-UHFFFAOYSA-N 0 0 236.271 2.644 20 5 BFBDRN O=[N+]([O-])c1c(F)nccc1NCCCC1CC1 ZINC000881994699 591286209 /nfs/dbraw/zinc/28/62/09/591286209.db2.gz DOAILWQLZUWWKB-UHFFFAOYSA-N 0 0 239.250 2.731 20 5 BFBDRN CC[C@@H](C)[C@H](C)Nc1ccnc(F)c1[N+](=O)[O-] ZINC000881998692 591286842 /nfs/dbraw/zinc/28/68/42/591286842.db2.gz UMMVCAOQWQHWPZ-SFYZADRCSA-N 0 0 241.266 2.975 20 5 BFBDRN CC1(CCNc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000882284716 591326806 /nfs/dbraw/zinc/32/68/06/591326806.db2.gz YAYGMOWTVMDDOD-UHFFFAOYSA-N 0 0 239.250 2.731 20 5 BFBDRN CC/C=C/CNc1ccnc(F)c1[N+](=O)[O-] ZINC000882414001 591344804 /nfs/dbraw/zinc/34/48/04/591344804.db2.gz QSFUPJOPWWXELM-ONEGZZNKSA-N 0 0 225.223 2.507 20 5 BFBDRN C[C@H]1CC[C@@H](Nc2cccnc2[N+](=O)[O-])C1 ZINC000129643610 591346944 /nfs/dbraw/zinc/34/69/44/591346944.db2.gz DDAJPOJSBMTHCV-DTWKUNHWSA-N 0 0 221.260 2.590 20 5 BFBDRN C/C=C\CNc1cccc([N+](=O)[O-])c1C(C)=O ZINC000882661473 591407685 /nfs/dbraw/zinc/40/76/85/591407685.db2.gz JDOWSBFAOKQEMM-ARJAWSKDSA-N 0 0 234.255 2.785 20 5 BFBDRN O=[N+]([O-])c1ccccc1N1CCC[C@H](CF)C1 ZINC000882800595 591442716 /nfs/dbraw/zinc/44/27/16/591442716.db2.gz FXDOHCHATAQAAD-SNVBAGLBSA-N 0 0 238.262 2.781 20 5 BFBDRN Cc1cc(N2CC[C@@H](CF)C2)ccc1[N+](=O)[O-] ZINC000882840779 591451230 /nfs/dbraw/zinc/45/12/30/591451230.db2.gz DVYVDRIUUBDMMZ-JTQLQIEISA-N 0 0 238.262 2.699 20 5 BFBDRN Cc1ccc(OC(=O)[C@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000131824668 591665621 /nfs/dbraw/zinc/66/56/21/591665621.db2.gz NFWAGXZPYRGKEM-SECBINFHSA-N 0 0 249.266 2.855 20 5 BFBDRN Cc1ccc(OC(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000131826063 591666769 /nfs/dbraw/zinc/66/67/69/591666769.db2.gz NTUTZSCKUKURDW-UHFFFAOYSA-N 0 0 247.206 2.715 20 5 BFBDRN CCCCC(=O)Oc1ccc(C)c([N+](=O)[O-])c1 ZINC000131836995 591668919 /nfs/dbraw/zinc/66/89/19/591668919.db2.gz VDFJNEVJEJIQSR-UHFFFAOYSA-N 0 0 237.255 2.999 20 5 BFBDRN CC(C)=CC(=O)Oc1ccc(C)c([N+](=O)[O-])c1 ZINC000131913481 591676433 /nfs/dbraw/zinc/67/64/33/591676433.db2.gz INXJXDLRWGOTLL-UHFFFAOYSA-N 0 0 235.239 2.775 20 5 BFBDRN CCC(CC)OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000135354585 592008957 /nfs/dbraw/zinc/00/89/57/592008957.db2.gz FPCSQINWNCOUTI-UHFFFAOYSA-N 0 0 237.255 2.940 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N(C)CCCF)c1 ZINC000884856521 592025204 /nfs/dbraw/zinc/02/52/04/592025204.db2.gz FHSPUSPJXKTFGL-UHFFFAOYSA-N 0 0 226.251 2.699 20 5 BFBDRN CCC[C@@H](C)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000885951251 592114015 /nfs/dbraw/zinc/11/40/15/592114015.db2.gz CHDAPVZJOZWRFM-SNVBAGLBSA-N 0 0 237.303 2.610 20 5 BFBDRN C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886004239 592127441 /nfs/dbraw/zinc/12/74/41/592127441.db2.gz VUFWFVRGGQBTBH-PHIMTYICSA-N 0 0 249.314 2.753 20 5 BFBDRN Cc1[nH]nc(NCc2cccc([N+](=O)[O-])c2)c1C ZINC000886196510 592173977 /nfs/dbraw/zinc/17/39/77/592173977.db2.gz VFXKHAFAVJEKQK-UHFFFAOYSA-N 0 0 246.270 2.547 20 5 BFBDRN CCCCOC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000124955038 634447279 /nfs/dbraw/zinc/44/72/79/634447279.db2.gz JRCSDUGLINUKHI-UHFFFAOYSA-N 0 0 237.255 2.860 20 5 BFBDRN C[C@H](OC(=O)[C@@H]1C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000066879477 634508200 /nfs/dbraw/zinc/50/82/00/634508200.db2.gz RYGDAIZCNFVOFH-HOTUBEGUSA-N 0 0 249.266 2.855 20 5 BFBDRN CCSCCNc1ccc(F)c([N+](=O)[O-])c1 ZINC000309652174 632617613 /nfs/dbraw/zinc/61/76/13/632617613.db2.gz ONHJCFMVMVTVNM-UHFFFAOYSA-N 0 0 244.291 2.899 20 5 BFBDRN C[C@@H](CF)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000309840093 632671866 /nfs/dbraw/zinc/67/18/66/632671866.db2.gz OFJBBUOVJJZFFO-ZETCQYMHSA-N 0 0 246.669 2.696 20 5 BFBDRN O=[N+]([O-])c1ccc2nc(NC3CC3)sc2c1 ZINC000066450581 632914365 /nfs/dbraw/zinc/91/43/65/632914365.db2.gz AQQRQAKFWPPFOO-UHFFFAOYSA-N 0 0 235.268 2.779 20 5 BFBDRN Cc1c(C(=O)O[C@@H](C)C2CC2)cccc1[N+](=O)[O-] ZINC000066546981 632939672 /nfs/dbraw/zinc/93/96/72/632939672.db2.gz IRJLPOUXIIOFLE-VIFPVBQESA-N 0 0 249.266 2.859 20 5 BFBDRN Cc1c(C(=O)O[C@H](C)C2CC2)cccc1[N+](=O)[O-] ZINC000066546983 632940586 /nfs/dbraw/zinc/94/05/86/632940586.db2.gz IRJLPOUXIIOFLE-SECBINFHSA-N 0 0 249.266 2.859 20 5 BFBDRN CC/C=C\COC(=O)c1cccc([N+](=O)[O-])c1 ZINC000255910319 633025552 /nfs/dbraw/zinc/02/55/52/633025552.db2.gz ZPZCJIFCUXAGAB-ARJAWSKDSA-N 0 0 235.239 2.718 20 5 BFBDRN O=[N+]([O-])c1ccsc1NC[C@@H]1CCC=CO1 ZINC000310036956 634101295 /nfs/dbraw/zinc/10/12/95/634101295.db2.gz URJFSEYVHSKYFR-QMMMGPOBSA-N 0 0 240.284 2.761 20 5 BFBDRN O=[N+]([O-])c1ccccc1N1CCC(F)CC1 ZINC000079031733 636143860 /nfs/dbraw/zinc/14/38/60/636143860.db2.gz BLFUUIKTQWJSMD-UHFFFAOYSA-N 0 0 224.235 2.533 20 5 BFBDRN CC(C)c1nn(C)cc1-c1ccc([N+](=O)[O-])nc1 ZINC000904799826 637491738 /nfs/dbraw/zinc/49/17/38/637491738.db2.gz RQZBDFVWYHOMSR-UHFFFAOYSA-N 0 0 246.270 2.514 20 5 BFBDRN O=[N+]([O-])CCNc1cccc(C2CCC2)c1 ZINC000905339171 637780407 /nfs/dbraw/zinc/78/04/07/637780407.db2.gz OFEFSALPKYBDMA-UHFFFAOYSA-N 0 0 220.272 2.643 20 5 BFBDRN Cc1ccc(N2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000175153832 639647776 /nfs/dbraw/zinc/64/77/76/639647776.db2.gz RDKIHXMMZYGTTN-JTQLQIEISA-N 0 0 220.272 2.892 20 5 BFBDRN O=Cc1cccc(Oc2ccc([N+](=O)[O-])nc2)c1 ZINC000912731642 640191181 /nfs/dbraw/zinc/19/11/81/640191181.db2.gz GCTOAWZWVYTSDO-UHFFFAOYSA-N 0 0 244.206 2.595 20 5 BFBDRN CC(C)=CC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000055466642 640471215 /nfs/dbraw/zinc/47/12/15/640471215.db2.gz RIWUCUQSBCCWRW-SNVBAGLBSA-N 0 0 248.282 2.738 20 5 BFBDRN O=[N+]([O-])c1ccccc1CNc1ccc(F)nc1 ZINC000226550410 640774350 /nfs/dbraw/zinc/77/43/50/640774350.db2.gz BAIUATVYXWMQRP-UHFFFAOYSA-N 0 0 247.229 2.741 20 5 BFBDRN CN(C/C=C/Cl)Cc1ccccc1[N+](=O)[O-] ZINC000046863030 640825333 /nfs/dbraw/zinc/82/53/33/640825333.db2.gz IAOVQUHVZAGYFV-QPJJXVBHSA-N 0 0 240.690 2.779 20 5 BFBDRN CCCN(C)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000063737418 641222578 /nfs/dbraw/zinc/22/25/78/641222578.db2.gz DHICPEQKRUPLNW-UHFFFAOYSA-N 0 0 245.282 2.989 20 5 BFBDRN Cc1ccc(C(=O)OCC2CCC2)cc1[N+](=O)[O-] ZINC000174530951 641302647 /nfs/dbraw/zinc/30/26/47/641302647.db2.gz WERXRUOTMSFNHJ-UHFFFAOYSA-N 0 0 249.266 2.860 20 5 BFBDRN C/C=C/COC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000064162791 641398926 /nfs/dbraw/zinc/39/89/26/641398926.db2.gz IDFDZWBCGXMRCT-ONEGZZNKSA-N 0 0 235.239 2.636 20 5 BFBDRN CC/C=C(\C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000194198449 641872807 /nfs/dbraw/zinc/87/28/07/641872807.db2.gz OVUJGXDCOUQZGJ-UXBLZVDNSA-N 0 0 248.282 2.567 20 5 BFBDRN Cc1ncc([N+](=O)[O-])n1C1CC2(CCC2)C1 ZINC000916773249 641976651 /nfs/dbraw/zinc/97/66/51/641976651.db2.gz SATJVKNMJHVPOZ-UHFFFAOYSA-N 0 0 221.260 2.605 20 5 BFBDRN Cc1nn(C[C@@H]2C[C@@H]3C=C[C@H]2CC3)cc1[N+](=O)[O-] ZINC000917733348 642114952 /nfs/dbraw/zinc/11/49/52/642114952.db2.gz RTZKOZVUPWBNQO-WOPDTQHZSA-N 0 0 247.298 2.702 20 5 BFBDRN CC[C@H](C)OC(=O)c1ccccc1[N+](=O)[O-] ZINC000008480996 642170491 /nfs/dbraw/zinc/17/04/91/642170491.db2.gz HHXVOYMJQTWAPD-QMMMGPOBSA-N 0 0 223.228 2.550 20 5 BFBDRN Cc1cc(C)c(Cn2ccnc2[N+](=O)[O-])c(C)c1 ZINC000918359523 642189602 /nfs/dbraw/zinc/18/96/02/642189602.db2.gz CFORWLLOVPGPNR-UHFFFAOYSA-N 0 0 245.282 2.765 20 5 BFBDRN O=[N+]([O-])c1nccn1C[C@H]1CCCCC1(F)F ZINC000918387528 642195487 /nfs/dbraw/zinc/19/54/87/642195487.db2.gz QFVOMOQEKFPPME-MRVPVSSYSA-N 0 0 245.229 2.617 20 5 BFBDRN CC(C)(C)SCCCn1ccnc1[N+](=O)[O-] ZINC000918386821 642196297 /nfs/dbraw/zinc/19/62/97/642196297.db2.gz LVBQVHXNAPHHFP-UHFFFAOYSA-N 0 0 243.332 2.713 20 5 BFBDRN Cc1ccc(Oc2c([N+](=O)[O-])cnn2C)cc1C ZINC000891422757 642517523 /nfs/dbraw/zinc/51/75/23/642517523.db2.gz ACZFTQCWAPASBX-UHFFFAOYSA-N 0 0 247.254 2.737 20 5 BFBDRN CCCCCOC(=O)c1ccccc1[N+](=O)[O-] ZINC000126007616 644129957 /nfs/dbraw/zinc/12/99/57/644129957.db2.gz JPFMEYIYXROBDF-UHFFFAOYSA-N 0 0 237.255 2.942 20 5 BFBDRN CC(C)COc1cc(F)ccc1[N+](=O)[O-] ZINC000057952216 644157659 /nfs/dbraw/zinc/15/76/59/644157659.db2.gz ZTFLWUBKUFGRCD-UHFFFAOYSA-N 0 0 213.208 2.769 20 5 BFBDRN Cc1ccc([N+](=O)[O-])cc1OC(=O)C(C)(C)C ZINC000079202721 644162681 /nfs/dbraw/zinc/16/26/81/644162681.db2.gz LALHQWWTXVRMJU-UHFFFAOYSA-N 0 0 237.255 2.855 20 5 BFBDRN Nc1ccc([N+](=O)[O-])c(NCc2ccccc2)c1 ZINC000192760911 644180955 /nfs/dbraw/zinc/18/09/55/644180955.db2.gz SHJYZSHICYKQKJ-UHFFFAOYSA-N 0 0 243.266 2.789 20 5 BFBDRN CCOC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000088121873 644510127 /nfs/dbraw/zinc/51/01/27/644510127.db2.gz IMUGJHIALJNPHB-UHFFFAOYSA-N 0 0 247.609 2.564 20 5 BFBDRN Cc1cccc([N+](=O)[O-])c1OC(=O)C1=CCC1 ZINC000780013582 644721963 /nfs/dbraw/zinc/72/19/63/644721963.db2.gz XRSJZGBHWNDUQT-UHFFFAOYSA-N 0 0 233.223 2.529 20 5 BFBDRN CC(C)[C@H]1c2ccccc2CC[N@H+]1CC[N+](=O)[O-] ZINC000929840791 646352312 /nfs/dbraw/zinc/35/23/12/646352312.db2.gz HIZSUGQSDQBRRX-AWEZNQCLSA-N 0 0 248.326 2.519 20 5 BFBDRN CN(CCCF)Cc1ccc([N+](=O)[O-])cc1F ZINC000716639231 712568686 /nfs/dbraw/zinc/56/86/86/712568686.db2.gz HEWLZSGXMJPYBM-UHFFFAOYSA-N 0 0 244.241 2.525 20 5 BFBDRN Cc1nn(CCCC(C)(F)F)c(C)c1[N+](=O)[O-] ZINC000902132144 710878394 /nfs/dbraw/zinc/87/83/94/710878394.db2.gz YOUDWHGJRNJBSM-UHFFFAOYSA-N 0 0 247.245 2.844 20 5 BFBDRN C[C@@H]1C[C@@H]1COc1ccc([N+](=O)[O-])c(F)c1 ZINC000722838927 711475742 /nfs/dbraw/zinc/47/57/42/711475742.db2.gz FCDIYDZXXMOUAT-HTQZYQBOSA-N 0 0 225.219 2.769 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2CC23CCC3)n1 ZINC000721242726 711824725 /nfs/dbraw/zinc/82/47/25/711824725.db2.gz GXNWWPFSDJYOCV-JTQLQIEISA-N 0 0 233.271 2.653 20 5 BFBDRN CCOCCOc1cc([N+](=O)[O-])ccc1Cl ZINC000087543491 711837366 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CSCOc1cc(Cl)ccc1[N+](=O)[O-] ZINC000292776020 385724421 /nfs/dbraw/zinc/72/44/21/385724421.db2.gz XVFTWRRMNBENPG-UHFFFAOYSA-N 0 0 233.676 2.948 20 5 BFBDRN CCC1(CC)CN(c2ncc([N+](=O)[O-])s2)C1 ZINC000292846763 385726934 /nfs/dbraw/zinc/72/69/34/385726934.db2.gz RAMZYIUTZAKFTN-UHFFFAOYSA-N 0 0 241.316 2.678 20 5 BFBDRN CCC[C@@H]1C[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000231662656 385812256 /nfs/dbraw/zinc/81/22/56/385812256.db2.gz IOFDHXOAGXZHGW-RKDXNWHRSA-N 0 0 221.260 2.590 20 5 BFBDRN C[C@@H](CC1CC1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000112604755 385846942 /nfs/dbraw/zinc/84/69/42/385846942.db2.gz QHNSJSFHTQVIQX-VIFPVBQESA-N 0 0 248.282 2.513 20 5 BFBDRN Cc1csc(CNc2ncccc2[N+](=O)[O-])c1 ZINC000344633070 386014358 /nfs/dbraw/zinc/01/43/58/386014358.db2.gz QQOSALMVBSMCHO-UHFFFAOYSA-N 0 0 249.295 2.972 20 5 BFBDRN O=[N+]([O-])c1cn(CC2CCCCCC2)cn1 ZINC000183867800 386037689 /nfs/dbraw/zinc/03/76/89/386037689.db2.gz IAQIJBZUMHHNKX-UHFFFAOYSA-N 0 0 223.276 2.762 20 5 BFBDRN CC[C@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000190315445 386305606 /nfs/dbraw/zinc/30/56/06/386305606.db2.gz QBRGEUWWFUVOJK-QMMMGPOBSA-N 0 0 241.316 2.678 20 5 BFBDRN C[C@H]1CCCC[C@@H]1Cn1nccc1[N+](=O)[O-] ZINC000571939358 386277127 /nfs/dbraw/zinc/27/71/27/386277127.db2.gz KYYFIMHDEUZPII-VHSXEESVSA-N 0 0 223.276 2.618 20 5 BFBDRN CCCCN(C)c1nccc(C)c1[N+](=O)[O-] ZINC000265163298 386490683 /nfs/dbraw/zinc/49/06/83/386490683.db2.gz FLMRORMXZCFLTF-UHFFFAOYSA-N 0 0 223.276 2.535 20 5 BFBDRN C[C@@H]1CC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000345081952 386496307 /nfs/dbraw/zinc/49/63/07/386496307.db2.gz ZNCJONWYRMLGGC-NXEZZACHSA-N 0 0 248.282 2.970 20 5 BFBDRN Cc1nn(CC23CCC(CC2)C3)c(C)c1[N+](=O)[O-] ZINC000408409369 386541899 /nfs/dbraw/zinc/54/18/99/386541899.db2.gz XFGOYKGEYHAVSO-UHFFFAOYSA-N 0 0 249.314 2.988 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N2CCC3(CCC3)C2)n1 ZINC000129706865 386649684 /nfs/dbraw/zinc/64/96/84/386649684.db2.gz TWJTVNWJQBIIOL-UHFFFAOYSA-N 0 0 247.298 2.679 20 5 BFBDRN CCCCCCn1c(C)ccc([N+](=O)[O-])c1=O ZINC000276283510 386703836 /nfs/dbraw/zinc/70/38/36/386703836.db2.gz XIXFFXNKDXETIE-UHFFFAOYSA-N 0 0 238.287 2.645 20 5 BFBDRN CCCc1nc(-c2cccc([N+](=O)[O-])c2C)no1 ZINC000453266619 386708745 /nfs/dbraw/zinc/70/87/45/386708745.db2.gz ZGGHAVANJNKEDU-UHFFFAOYSA-N 0 0 247.254 2.906 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N2CCCC[C@@H](C)C2)n1 ZINC000185856786 386713271 /nfs/dbraw/zinc/71/32/71/386713271.db2.gz STCSNTDGBSQWLB-SNVBAGLBSA-N 0 0 249.314 2.925 20 5 BFBDRN CSCc1ccc([N+](=O)[O-])c(F)c1 ZINC000087226076 386741537 /nfs/dbraw/zinc/74/15/37/386741537.db2.gz XYCZGHQPUWJSQM-UHFFFAOYSA-N 0 0 201.222 2.597 20 5 BFBDRN Cc1ccnc(N(C)CC(C)(C)C)c1[N+](=O)[O-] ZINC000301253047 386828429 /nfs/dbraw/zinc/82/84/29/386828429.db2.gz CQZHIPDYMSZART-UHFFFAOYSA-N 0 0 237.303 2.781 20 5 BFBDRN CCCCCn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000268577340 387035578 /nfs/dbraw/zinc/03/55/78/387035578.db2.gz BYNGLKDRDJMRTP-UHFFFAOYSA-N 0 0 244.678 2.600 20 5 BFBDRN O=[N+]([O-])c1cccnc1N[C@H]1CC2CCC1CC2 ZINC000336796266 387232723 /nfs/dbraw/zinc/23/27/23/387232723.db2.gz QZUGQNNVJNVDAV-ILDUYXDCSA-N 0 0 247.298 2.980 20 5 BFBDRN CC[C@H](F)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000440506279 387238405 /nfs/dbraw/zinc/23/84/05/387238405.db2.gz ZYXYQOHMJXAVHD-ZJUUUORDSA-N 0 0 240.278 2.994 20 5 BFBDRN O=[N+]([O-])c1cn(C[C@H]2CCCCC2(F)F)cn1 ZINC000295687241 387356508 /nfs/dbraw/zinc/35/65/08/387356508.db2.gz HWWFHLOSWPUOOW-MRVPVSSYSA-N 0 0 245.229 2.617 20 5 BFBDRN CC[C@H](F)COc1cc(F)cc([N+](=O)[O-])c1 ZINC000440585783 387363910 /nfs/dbraw/zinc/36/39/10/387363910.db2.gz UURUSZJWTUUSDF-ZETCQYMHSA-N 0 0 231.198 2.861 20 5 BFBDRN CC[C@@H](F)COc1ccc([N+](=O)[O-])cc1F ZINC000440590489 387364058 /nfs/dbraw/zinc/36/40/58/387364058.db2.gz YFGAFGAYUIORIA-SSDOTTSWSA-N 0 0 231.198 2.861 20 5 BFBDRN O=[N+]([O-])c1cnc(N2Cc3ccccc3C2)s1 ZINC000192451699 387370778 /nfs/dbraw/zinc/37/07/78/387370778.db2.gz HJJWDWZPLUSRPD-UHFFFAOYSA-N 0 0 247.279 2.572 20 5 BFBDRN O=[N+]([O-])c1ccc(NC[C@@H]2CCSC2)cc1 ZINC000224349525 387352800 /nfs/dbraw/zinc/35/28/00/387352800.db2.gz JTLAUUMHWOKJJS-VIFPVBQESA-N 0 0 238.312 2.760 20 5 BFBDRN CC[C@H]1CCCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000192776781 387451573 /nfs/dbraw/zinc/45/15/73/387451573.db2.gz NSULIRLWYHIFFX-JTQLQIEISA-N 0 0 249.314 2.803 20 5 BFBDRN CCC[C@](C)(O)CNc1ccc([N+](=O)[O-])cc1 ZINC000226233416 387387322 /nfs/dbraw/zinc/38/73/22/387387322.db2.gz GOKMCWAWJAUOSO-LBPRGKRZSA-N 0 0 238.287 2.558 20 5 BFBDRN Cc1c(NC(=O)NC2CCC2)cccc1[N+](=O)[O-] ZINC000223986065 387516138 /nfs/dbraw/zinc/51/61/38/387516138.db2.gz XLDLMMFZCQIRPW-UHFFFAOYSA-N 0 0 249.270 2.577 20 5 BFBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC1(C)C ZINC000130077530 387520091 /nfs/dbraw/zinc/52/00/91/387520091.db2.gz IGASCHBLNPMHHS-SNVBAGLBSA-N 0 0 248.282 2.888 20 5 BFBDRN CCC1(Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000296306888 387792515 /nfs/dbraw/zinc/79/25/15/387792515.db2.gz NBADTYVUBYPRAC-UHFFFAOYSA-N 0 0 246.270 2.826 20 5 BFBDRN CC(C)=CCNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000191734522 387826938 /nfs/dbraw/zinc/82/69/38/387826938.db2.gz VSSJUPMXHCMQDR-UHFFFAOYSA-N 0 0 248.282 2.599 20 5 BFBDRN CCC1(NC(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000296344656 387839352 /nfs/dbraw/zinc/83/93/52/387839352.db2.gz TUWTVHNZXQXCPU-UHFFFAOYSA-N 0 0 248.282 2.576 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@H]2CC2(C)C)n1 ZINC000362849920 177875842 /nfs/dbraw/zinc/87/58/42/177875842.db2.gz IRSNLRGFXRFILH-JTQLQIEISA-N 0 0 249.314 2.841 20 5 BFBDRN CC[C@H](F)COc1ccc(OC)c([N+](=O)[O-])c1 ZINC000441830682 387882912 /nfs/dbraw/zinc/88/29/12/387882912.db2.gz ZRHGVSXCUYFNCK-QMMMGPOBSA-N 0 0 243.234 2.730 20 5 BFBDRN CCOCCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000036229972 387887306 /nfs/dbraw/zinc/88/73/06/387887306.db2.gz UFRWGYKNISOOGD-UHFFFAOYSA-N 0 0 244.678 2.697 20 5 BFBDRN CC1(C)OCC[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000296392848 387957541 /nfs/dbraw/zinc/95/75/41/387957541.db2.gz VAVZSMNHEIFMLT-LLVKDONJSA-N 0 0 236.271 2.574 20 5 BFBDRN CCCCNc1cc([N+](=O)[O-])ccc1F ZINC000037060541 388095453 /nfs/dbraw/zinc/09/54/53/388095453.db2.gz JZMPHIDHGUPYDA-UHFFFAOYSA-N 0 0 212.224 2.946 20 5 BFBDRN Cc1cccc(-c2nc(C3CC3)no2)c1[N+](=O)[O-] ZINC000592465838 388158732 /nfs/dbraw/zinc/15/87/32/388158732.db2.gz RIPVPRHLFWHCON-UHFFFAOYSA-N 0 0 245.238 2.831 20 5 BFBDRN C[C@@H]1CC[C@@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC000309305735 256524565 /nfs/dbraw/zinc/52/45/65/256524565.db2.gz NBFLGZDQMVMCID-APPZFPTMSA-N 0 0 224.235 2.944 20 5 BFBDRN CC[C@@H](CSC)Nc1ccc([N+](=O)[O-])cn1 ZINC000162129753 388346134 /nfs/dbraw/zinc/34/61/34/388346134.db2.gz GYPMLEPJPWAIER-QMMMGPOBSA-N 0 0 241.316 2.543 20 5 BFBDRN Nc1ccc([N+](=O)[O-])c(N[C@@H]2CC=CCC2)c1 ZINC000193448807 388352427 /nfs/dbraw/zinc/35/24/27/388352427.db2.gz YHNOVBROSSJIHG-SNVBAGLBSA-N 0 0 233.271 2.698 20 5 BFBDRN C[C@H](CO)Sc1ccc(Cl)cc1[N+](=O)[O-] ZINC000162515277 388353116 /nfs/dbraw/zinc/35/31/16/388353116.db2.gz AIZVNKDMUHSHSG-ZCFIWIBFSA-N 0 0 247.703 2.721 20 5 BFBDRN O=C(/C=C\C1CCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000492095796 388353290 /nfs/dbraw/zinc/35/32/90/388353290.db2.gz NKGHWLLRFRNQPC-FPLPWBNLSA-N 0 0 246.266 2.890 20 5 BFBDRN C/C=C/C=C\C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000492325276 388354595 /nfs/dbraw/zinc/35/45/95/388354595.db2.gz ANBQCKNURDJIAT-ICWBMWKASA-N 0 0 246.266 2.974 20 5 BFBDRN CC[C@H]1C[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000227014000 388356715 /nfs/dbraw/zinc/35/67/15/388356715.db2.gz KVXWCLFYAHENDM-GZMMTYOYSA-N 0 0 206.245 2.805 20 5 BFBDRN O=[N+]([O-])c1cc(F)ccc1Oc1cccnc1 ZINC000057796917 388368593 /nfs/dbraw/zinc/36/85/93/388368593.db2.gz DUFFOLFJBKIDGY-UHFFFAOYSA-N 0 0 234.186 2.921 20 5 BFBDRN CCC1(CNc2ccc([N+](=O)[O-])cn2)CCC1 ZINC000227777581 388370750 /nfs/dbraw/zinc/37/07/50/388370750.db2.gz WYMKLRZDBBONHX-UHFFFAOYSA-N 0 0 235.287 2.982 20 5 BFBDRN CC[C@H]1CC[C@@H](C)N1c1ncccc1[N+](=O)[O-] ZINC000271414950 388386951 /nfs/dbraw/zinc/38/69/51/388386951.db2.gz KRBUOBXWEWFDHW-ZJUUUORDSA-N 0 0 235.287 2.757 20 5 BFBDRN C[C@@H](NC(=O)C1CCC1)c1ccccc1[N+](=O)[O-] ZINC000271646416 388396509 /nfs/dbraw/zinc/39/65/09/388396509.db2.gz DMBKRQRTBKTMNX-SECBINFHSA-N 0 0 248.282 2.572 20 5 BFBDRN CC(=O)[C@@H](C)SCc1ccc([N+](=O)[O-])cc1 ZINC000175198438 388446271 /nfs/dbraw/zinc/44/62/71/388446271.db2.gz IAJKSCQSAZONGU-SECBINFHSA-N 0 0 239.296 2.806 20 5 BFBDRN CCCCN(CC)c1ncc([N+](=O)[O-])s1 ZINC000195505327 388474018 /nfs/dbraw/zinc/47/40/18/388474018.db2.gz CHVIPNMAZMIHFB-UHFFFAOYSA-N 0 0 229.305 2.678 20 5 BFBDRN Cc1cc(NCc2nccs2)ccc1[N+](=O)[O-] ZINC000040444460 388415624 /nfs/dbraw/zinc/41/56/24/388415624.db2.gz CWZSLNMBHMDSSZ-UHFFFAOYSA-N 0 0 249.295 2.972 20 5 BFBDRN CN(CC1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000301091709 388417892 /nfs/dbraw/zinc/41/78/92/388417892.db2.gz NAIGYZVLMHTGEL-UHFFFAOYSA-N 0 0 224.235 2.580 20 5 BFBDRN O=[N+]([O-])c1ccc(NC2CCCCC2)cn1 ZINC000054613592 388427822 /nfs/dbraw/zinc/42/78/22/388427822.db2.gz XJQOHLAHXJBXSP-UHFFFAOYSA-N 0 0 221.260 2.734 20 5 BFBDRN Cc1ccc(N2C[C@@H]3[C@H](C2)C3(C)C)c([N+](=O)[O-])c1 ZINC000301453192 388588946 /nfs/dbraw/zinc/58/89/46/388588946.db2.gz AUCWUEAVHIMFAI-PHIMTYICSA-N 0 0 246.310 2.995 20 5 BFBDRN CC(=O)c1ccc(NC[C@H]2C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000298691628 388598145 /nfs/dbraw/zinc/59/81/45/388598145.db2.gz AYZOKWBWFJUFRM-GZMMTYOYSA-N 0 0 248.282 2.865 20 5 BFBDRN COCCCCOc1c(F)cccc1[N+](=O)[O-] ZINC000185182242 256851711 /nfs/dbraw/zinc/85/17/11/256851711.db2.gz PLFMTVJDIUJEEC-UHFFFAOYSA-N 0 0 243.234 2.539 20 5 BFBDRN CC[C@@H](C)N(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000301612074 388614175 /nfs/dbraw/zinc/61/41/75/388614175.db2.gz FNCBBELRQSCQLZ-MRVPVSSYSA-N 0 0 226.251 2.969 20 5 BFBDRN CC[C@@H](COc1ccc(F)cc1[N+](=O)[O-])OC ZINC000416915326 388671891 /nfs/dbraw/zinc/67/18/91/388671891.db2.gz PONSDEIINMDJRQ-VIFPVBQESA-N 0 0 243.234 2.538 20 5 BFBDRN CC[C@@H](COc1cc(F)cc([N+](=O)[O-])c1)OC ZINC000416900889 388672344 /nfs/dbraw/zinc/67/23/44/388672344.db2.gz AWLAPSIEPLBYMW-JTQLQIEISA-N 0 0 243.234 2.538 20 5 BFBDRN CC[C@H](CSc1ncccc1[N+](=O)[O-])OC ZINC000416924992 388673592 /nfs/dbraw/zinc/67/35/92/388673592.db2.gz XMBDYCPJRRCZMC-MRVPVSSYSA-N 0 0 242.300 2.507 20 5 BFBDRN O=[N+]([O-])c1ccc(Sc2ccncc2)nc1 ZINC000301751940 388676567 /nfs/dbraw/zinc/67/65/67/388676567.db2.gz BHZRAMYAWBBDKZ-UHFFFAOYSA-N 0 0 233.252 2.536 20 5 BFBDRN Cc1ccc([N+](=O)[O-])cc1Oc1ncc(F)cn1 ZINC000301765874 388676805 /nfs/dbraw/zinc/67/68/05/388676805.db2.gz HYKSRGTVJATBCX-UHFFFAOYSA-N 0 0 249.201 2.625 20 5 BFBDRN CSC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000123156495 388629695 /nfs/dbraw/zinc/62/96/95/388629695.db2.gz LQUIDWVCXGWKOY-MRVPVSSYSA-N 0 0 226.301 2.758 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(NCc2cccnc2)c1 ZINC000094659371 388637891 /nfs/dbraw/zinc/63/78/91/388637891.db2.gz IJIUXYVPCRAMGX-UHFFFAOYSA-N 0 0 243.266 2.910 20 5 BFBDRN O=[N+]([O-])c1cc(F)ccc1NC1CC(F)(F)C1 ZINC000276942197 388744419 /nfs/dbraw/zinc/74/44/19/388744419.db2.gz AUOQTGUMFLAHPA-UHFFFAOYSA-N 0 0 246.188 2.944 20 5 BFBDRN C[C@H](NCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000277209997 388745559 /nfs/dbraw/zinc/74/55/59/388745559.db2.gz WNRDKUYOJXMYIK-ZETCQYMHSA-N 0 0 248.204 2.635 20 5 BFBDRN CSC[C@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000124731490 388754653 /nfs/dbraw/zinc/75/46/53/388754653.db2.gz YQQGZTVLQXSFLL-QMMMGPOBSA-N 0 0 226.301 2.758 20 5 BFBDRN C[C@@H]1C[C@H](C)N1c1ccc(F)cc1[N+](=O)[O-] ZINC000530535729 388715265 /nfs/dbraw/zinc/71/52/65/388715265.db2.gz DYZOACVWERLJIL-OCAPTIKFSA-N 0 0 224.235 2.721 20 5 BFBDRN Cc1nn(CCCC(C)C)c(C)c1[N+](=O)[O-] ZINC000428053087 388719387 /nfs/dbraw/zinc/71/93/87/388719387.db2.gz JBGTWVOVDVFERI-UHFFFAOYSA-N 0 0 225.292 2.844 20 5 BFBDRN Cc1ccnc(N2C[C@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000377981461 388727106 /nfs/dbraw/zinc/72/71/06/388727106.db2.gz FFWMLRYHXHBCFB-GHMZBOCLSA-N 0 0 247.298 2.677 20 5 BFBDRN O=[N+]([O-])c1cccnc1NC12CCC(CC1)C2 ZINC000378654919 388728561 /nfs/dbraw/zinc/72/85/61/388728561.db2.gz ZKZXPISBAULWAT-UHFFFAOYSA-N 0 0 233.271 2.734 20 5 BFBDRN CC[C@H]1CC[C@H](C)N1c1ncc([N+](=O)[O-])s1 ZINC000281920166 388810648 /nfs/dbraw/zinc/81/06/48/388810648.db2.gz NXZBLFICWLHZDB-YUMQZZPRSA-N 0 0 241.316 2.819 20 5 BFBDRN CCC[C@H](C)N(C)c1ncc([N+](=O)[O-])s1 ZINC000282116194 388812068 /nfs/dbraw/zinc/81/20/68/388812068.db2.gz KEXHSXPYAAYULC-ZETCQYMHSA-N 0 0 229.305 2.676 20 5 BFBDRN CCCCNc1ccc([N+](=O)[O-])cc1F ZINC000020474750 388772039 /nfs/dbraw/zinc/77/20/39/388772039.db2.gz ZWURNJNEGCRGCT-UHFFFAOYSA-N 0 0 212.224 2.946 20 5 BFBDRN CC(=O)[C@@H](C)S/C=C/c1ccc([N+](=O)[O-])o1 ZINC000284344005 388827500 /nfs/dbraw/zinc/82/75/00/388827500.db2.gz VLXMMURDRHNHQZ-HQZHTGGTSA-N 0 0 241.268 2.869 20 5 BFBDRN CC[C@H]1[C@H](C)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000302396033 388844952 /nfs/dbraw/zinc/84/49/52/388844952.db2.gz KCPCCGWJGDDTCD-KOLCDFICSA-N 0 0 235.287 2.615 20 5 BFBDRN CCN(CC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000302147889 388838586 /nfs/dbraw/zinc/83/85/86/388838586.db2.gz SBPCOWQZBQZORX-UHFFFAOYSA-N 0 0 230.214 2.686 20 5 BFBDRN O=[N+]([O-])c1cccc2c1CC[N@@H+](C1CCCC1)C2 ZINC000093443816 388839229 /nfs/dbraw/zinc/83/92/29/388839229.db2.gz WSOLFENYIUELEQ-UHFFFAOYSA-N 0 0 246.310 2.896 20 5 BFBDRN CC(C)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037472324 388870041 /nfs/dbraw/zinc/87/00/41/388870041.db2.gz FASDKHHVPASAIA-UHFFFAOYSA-N 0 0 228.317 2.792 20 5 BFBDRN CCCc1ccc(Cn2nccc2[N+](=O)[O-])cc1 ZINC000194777592 388885093 /nfs/dbraw/zinc/88/50/93/388885093.db2.gz BTFPUSFSTRGMGP-UHFFFAOYSA-N 0 0 245.282 2.792 20 5 BFBDRN CC[C@@H]1CCCN(c2nccc(C)c2[N+](=O)[O-])C1 ZINC000265262660 132181901 /nfs/dbraw/zinc/18/19/01/132181901.db2.gz SNAGVSLOZCQDTJ-LLVKDONJSA-N 0 0 249.314 2.925 20 5 BFBDRN C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)[C@H]1C ZINC000266187828 132184555 /nfs/dbraw/zinc/18/45/55/132184555.db2.gz AVXSWOREVURFGS-ZJUUUORDSA-N 0 0 235.287 2.615 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CCC[C@H]3CCC[C@H]32)nc1 ZINC000266286613 132185911 /nfs/dbraw/zinc/18/59/11/132185911.db2.gz VNYXJRYGCIXBNL-ZYHUDNBSSA-N 0 0 247.298 2.759 20 5 BFBDRN Cc1cc(N2C[C@H](C)CC[C@H]2C)ncc1[N+](=O)[O-] ZINC000266846692 132187508 /nfs/dbraw/zinc/18/75/08/132187508.db2.gz PDPWSSCGPGDOFK-MWLCHTKSSA-N 0 0 249.314 2.923 20 5 BFBDRN Cc1nc(N2CCC[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000268524984 132192358 /nfs/dbraw/zinc/19/23/58/132192358.db2.gz VYVHWDPVPNOBJL-MWLCHTKSSA-N 0 0 249.314 2.923 20 5 BFBDRN Cc1nc(N2CCC[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000268524985 132192524 /nfs/dbraw/zinc/19/25/24/132192524.db2.gz VYVHWDPVPNOBJL-ONGXEEELSA-N 0 0 249.314 2.923 20 5 BFBDRN Cc1ccnc(N2CC[C@@H](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000270942257 132197893 /nfs/dbraw/zinc/19/78/93/132197893.db2.gz KCDYQOIIEWXHIN-MWLCHTKSSA-N 0 0 249.314 2.781 20 5 BFBDRN Cc1cc(N2CC[C@H](C)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000270948157 132198102 /nfs/dbraw/zinc/19/81/02/132198102.db2.gz LKNIUBBNNAZPEA-GXSJLCMTSA-N 0 0 249.314 2.781 20 5 BFBDRN Cc1cc([N+](=O)[O-])cnc1N1CCC(C)=C(C)C1 ZINC000281064861 132211172 /nfs/dbraw/zinc/21/11/72/132211172.db2.gz UAKVPGKHUVIQJW-UHFFFAOYSA-N 0 0 247.298 2.845 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N2CCC(C)=C(C)C2)n1 ZINC000280871178 132211208 /nfs/dbraw/zinc/21/12/08/132211208.db2.gz FABBOJYMPFPLRD-UHFFFAOYSA-N 0 0 247.298 2.845 20 5 BFBDRN CC[C@H]1CCCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000283613516 132212996 /nfs/dbraw/zinc/21/29/96/132212996.db2.gz RZXFDSWLEYCUQR-JTQLQIEISA-N 0 0 249.314 2.803 20 5 BFBDRN C[C@@H]1C[C@H](C)[C@@H](C)N(c2ncccc2[N+](=O)[O-])C1 ZINC000302639635 132264955 /nfs/dbraw/zinc/26/49/55/132264955.db2.gz DOAVTJKJEQDRIW-OUAUKWLOSA-N 0 0 249.314 2.861 20 5 BFBDRN C[C@@H]1C[C@@H](C)[C@@H](C)N(c2ccc([N+](=O)[O-])cn2)C1 ZINC000302682285 132265527 /nfs/dbraw/zinc/26/55/27/132265527.db2.gz POBTWOFAHAOLQW-GMTAPVOTSA-N 0 0 249.314 2.861 20 5 BFBDRN CC[C@@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000358680364 132276087 /nfs/dbraw/zinc/27/60/87/132276087.db2.gz GTBNNMZBNLQPQK-SNVBAGLBSA-N 0 0 235.287 2.616 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N2CC(C)=C[C@H](C)C2)n1 ZINC000362364274 132280874 /nfs/dbraw/zinc/28/08/74/132280874.db2.gz HORNPORIFUEITA-VIFPVBQESA-N 0 0 247.298 2.701 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CCC(C3CC3)CC2)nc1 ZINC000368014389 132282716 /nfs/dbraw/zinc/28/27/16/132282716.db2.gz FDEVFEKBMXNNHD-UHFFFAOYSA-N 0 0 247.298 2.616 20 5 BFBDRN Cc1cn(C[C@H]2CCC[C@@H](C)C2)nc1[N+](=O)[O-] ZINC000407977594 133456144 /nfs/dbraw/zinc/45/61/44/133456144.db2.gz TYRYIBASMPLFIK-KOLCDFICSA-N 0 0 237.303 2.926 20 5 BFBDRN O=[N+]([O-])c1cccc(NCCC2CC2)c1 ZINC000083895515 133564376 /nfs/dbraw/zinc/56/43/76/133564376.db2.gz QWAZSUOUMZCETL-UHFFFAOYSA-N 0 0 206.245 2.807 20 5 BFBDRN CC(C)OCCNc1ccc([N+](=O)[O-])cc1F ZINC000168656678 134239920 /nfs/dbraw/zinc/23/99/20/134239920.db2.gz DAWXTLNCVTZCQM-UHFFFAOYSA-N 0 0 242.250 2.571 20 5 BFBDRN C[C@H]1OCC[C@]1(C)Nc1ccccc1[N+](=O)[O-] ZINC000230099252 134480866 /nfs/dbraw/zinc/48/08/66/134480866.db2.gz GPVYBYUZYIJCAC-SKDRFNHKSA-N 0 0 236.271 2.574 20 5 BFBDRN CC(C)CCCNc1ncc([N+](=O)[O-])s1 ZINC000189683461 134550983 /nfs/dbraw/zinc/55/09/83/134550983.db2.gz MTXVWXCFWZMITD-UHFFFAOYSA-N 0 0 229.305 2.899 20 5 BFBDRN Cc1cccc(OCc2cccnc2)c1[N+](=O)[O-] ZINC000192797992 134588118 /nfs/dbraw/zinc/58/81/18/134588118.db2.gz BHEBYYCUJHMEAY-UHFFFAOYSA-N 0 0 244.250 2.877 20 5 BFBDRN COc1cccc(NCC2CCC2)c1[N+](=O)[O-] ZINC000134903749 134725188 /nfs/dbraw/zinc/72/51/88/134725188.db2.gz KAZCJWFGIIUPDQ-UHFFFAOYSA-N 0 0 236.271 2.815 20 5 BFBDRN Cc1ccc(N[C@@H]2C[C@H]3CC[C@@H]2O3)c([N+](=O)[O-])c1 ZINC000158731501 134747979 /nfs/dbraw/zinc/74/79/79/134747979.db2.gz UWELZYYYZOENJR-XWIASGKRSA-N 0 0 248.282 2.635 20 5 BFBDRN O=[N+]([O-])c1ccc(OCc2cccnc2)c(F)c1 ZINC000060806957 134794786 /nfs/dbraw/zinc/79/47/86/134794786.db2.gz GCDDWSUYMFOKPT-UHFFFAOYSA-N 0 0 248.213 2.708 20 5 BFBDRN Cc1ccnc(NCCC(F)(F)F)c1[N+](=O)[O-] ZINC000070496374 134920267 /nfs/dbraw/zinc/92/02/67/134920267.db2.gz JRPHXRIVRADIAZ-UHFFFAOYSA-N 0 0 249.192 2.663 20 5 BFBDRN C[C@@H]1CCC[C@H]1Nc1ccncc1[N+](=O)[O-] ZINC000070833081 134923630 /nfs/dbraw/zinc/92/36/30/134923630.db2.gz HRFPUXMKVKKUMN-RKDXNWHRSA-N 0 0 221.260 2.590 20 5 BFBDRN COC(C)(C)CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000078470898 135125620 /nfs/dbraw/zinc/12/56/20/135125620.db2.gz GGRMNUJLZORTMB-UHFFFAOYSA-N 0 0 238.287 2.740 20 5 BFBDRN CCCN(CC)c1ncc(C)cc1[N+](=O)[O-] ZINC000267030716 135150887 /nfs/dbraw/zinc/15/08/87/135150887.db2.gz AZBGYFUXGUJCOX-UHFFFAOYSA-N 0 0 223.276 2.535 20 5 BFBDRN O=[N+]([O-])c1ccc(CN2CCCCC2)c(F)c1 ZINC000267031152 135151455 /nfs/dbraw/zinc/15/14/55/135151455.db2.gz MRVDFWTZOUTMER-UHFFFAOYSA-N 0 0 238.262 2.720 20 5 BFBDRN CSCCN(C)c1c(F)cccc1[N+](=O)[O-] ZINC000342549950 135286736 /nfs/dbraw/zinc/28/67/36/135286736.db2.gz OBOXDKATTCHCER-UHFFFAOYSA-N 0 0 244.291 2.533 20 5 BFBDRN C[C@@H]1CC[C@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000334224026 135329012 /nfs/dbraw/zinc/32/90/12/135329012.db2.gz ALWAQUNBQBDBLM-LDYMZIIASA-N 0 0 249.270 2.515 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](F)C2)c1 ZINC000343065406 135355677 /nfs/dbraw/zinc/35/56/77/135355677.db2.gz KVUAAASFTQYKNZ-SNVBAGLBSA-N 0 0 238.262 2.842 20 5 BFBDRN Cc1cc(N2CCCC23CCC3)ncc1[N+](=O)[O-] ZINC000366799852 135361501 /nfs/dbraw/zinc/36/15/01/135361501.db2.gz UQYHLEGRHIHMRX-UHFFFAOYSA-N 0 0 247.298 2.821 20 5 BFBDRN COC(C)(C)CNc1ccc([N+](=O)[O-])cc1F ZINC000078471313 135393768 /nfs/dbraw/zinc/39/37/68/135393768.db2.gz MKOAHRMGIBURGE-UHFFFAOYSA-N 0 0 242.250 2.571 20 5 BFBDRN Cc1cccc(CNc2ccccc2[N+](=O)[O-])n1 ZINC000048346429 135461752 /nfs/dbraw/zinc/46/17/52/135461752.db2.gz CHMOWZIPPBIGPX-UHFFFAOYSA-N 0 0 243.266 2.910 20 5 BFBDRN Cc1cnc(NC(C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000090692174 135551925 /nfs/dbraw/zinc/55/19/25/135551925.db2.gz HRFZCLZZNLHCKU-UHFFFAOYSA-N 0 0 247.298 2.899 20 5 BFBDRN Cc1cccnc1COc1cccc([N+](=O)[O-])c1 ZINC000092851516 135585327 /nfs/dbraw/zinc/58/53/27/135585327.db2.gz QKYBACOKZHOZRG-UHFFFAOYSA-N 0 0 244.250 2.877 20 5 BFBDRN CCN(CC(F)F)c1cc(C)ccc1[N+](=O)[O-] ZINC000347854775 136013030 /nfs/dbraw/zinc/01/30/30/136013030.db2.gz DCOJUEWUJTVOJH-UHFFFAOYSA-N 0 0 244.241 2.995 20 5 BFBDRN CCN(CC(F)F)c1ccc([N+](=O)[O-])c(C)c1 ZINC000302128555 169740042 /nfs/dbraw/zinc/74/00/42/169740042.db2.gz JHEJTDFLAQBCDM-UHFFFAOYSA-N 0 0 244.241 2.995 20 5 BFBDRN C[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000063282729 397948187 /nfs/dbraw/zinc/94/81/87/397948187.db2.gz LYXFVRUSHWWVFH-JTQLQIEISA-N 0 0 235.287 2.616 20 5 BFBDRN C[C@@H](CNc1ncccc1[N+](=O)[O-])C(F)(F)F ZINC000355738232 397967339 /nfs/dbraw/zinc/96/73/39/397967339.db2.gz IKUCHGPJIKNIQR-LURJTMIESA-N 0 0 249.192 2.600 20 5 BFBDRN CC1(C)CC[C@@H](Oc2cccc([N+](=O)[O-])c2)C1=O ZINC000412977327 397915065 /nfs/dbraw/zinc/91/50/65/397915065.db2.gz KEYDLSMWGNYZCE-LLVKDONJSA-N 0 0 249.266 2.731 20 5 BFBDRN Cc1ccc(CCCn2nccc2[N+](=O)[O-])cc1 ZINC000181996534 398113300 /nfs/dbraw/zinc/11/33/00/398113300.db2.gz PZBRCEPQRWSEQQ-UHFFFAOYSA-N 0 0 245.282 2.733 20 5 BFBDRN O=[N+]([O-])c1cn([C@@H]2C=CCCC2)nc1C1CC1 ZINC000195054124 398131020 /nfs/dbraw/zinc/13/10/20/398131020.db2.gz ZTDFEKGZPDCIIY-SNVBAGLBSA-N 0 0 233.271 2.950 20 5 BFBDRN CC(C)OCCCOc1ccc([N+](=O)[O-])cc1 ZINC000125786302 167225157 /nfs/dbraw/zinc/22/51/57/167225157.db2.gz XENGCLHFDVAZBM-UHFFFAOYSA-N 0 0 239.271 2.789 20 5 BFBDRN Cc1ccc(NCc2ccccc2[N+](=O)[O-])cn1 ZINC000083371319 409915165 /nfs/dbraw/zinc/91/51/65/409915165.db2.gz YTLSOFCUBAPFKD-UHFFFAOYSA-N 0 0 243.266 2.910 20 5 BFBDRN CC(C)SCCNc1ccc([N+](=O)[O-])cn1 ZINC000286266102 167333702 /nfs/dbraw/zinc/33/37/02/167333702.db2.gz DFBMVHVMVJHUKX-UHFFFAOYSA-N 0 0 241.316 2.543 20 5 BFBDRN O=[N+]([O-])c1cccnc1N1CC2(C1)CCCCC2 ZINC000273969195 411172510 /nfs/dbraw/zinc/17/25/10/411172510.db2.gz PBDNHQIKUCIWOO-UHFFFAOYSA-N 0 0 247.298 2.760 20 5 BFBDRN CC1(CCNc2ncc([N+](=O)[O-])s2)CC1 ZINC000281783039 168022187 /nfs/dbraw/zinc/02/21/87/168022187.db2.gz DYRCNRLJQUKAOH-UHFFFAOYSA-N 0 0 227.289 2.653 20 5 BFBDRN CC1(CNC(=O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000175125733 168037422 /nfs/dbraw/zinc/03/74/22/168037422.db2.gz OFZIRUCIZIMXBE-UHFFFAOYSA-N 0 0 248.282 2.515 20 5 BFBDRN CC1(Cn2ccc3c2cccc3[N+](=O)[O-])COC1 ZINC000360832504 168052487 /nfs/dbraw/zinc/05/24/87/168052487.db2.gz KNLIIHJEIYCRMA-UHFFFAOYSA-N 0 0 246.266 2.586 20 5 BFBDRN CC1(c2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000355549712 168073119 /nfs/dbraw/zinc/07/31/19/168073119.db2.gz XBIBATXORVATBF-UHFFFAOYSA-N 0 0 245.238 2.696 20 5 BFBDRN CCC(=O)COc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000288367865 168209158 /nfs/dbraw/zinc/20/91/58/168209158.db2.gz HOOYVFMXOCKWGI-UHFFFAOYSA-N 0 0 243.646 2.606 20 5 BFBDRN CCC(=O)COc1ccc([N+](=O)[O-])cc1Cl ZINC000050181573 168210031 /nfs/dbraw/zinc/21/00/31/168210031.db2.gz JTVKUCYGRIVIMI-UHFFFAOYSA-N 0 0 243.646 2.606 20 5 BFBDRN CC[C@H]1CCN1C(=O)c1cccc([N+](=O)[O-])c1C ZINC000293869060 411514025 /nfs/dbraw/zinc/51/40/25/411514025.db2.gz CVNSQBIWXNATRY-JTQLQIEISA-N 0 0 248.282 2.528 20 5 BFBDRN CCOC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000354899600 170287612 /nfs/dbraw/zinc/28/76/12/170287612.db2.gz OCSYKHZKEOZKQY-UHFFFAOYSA-N 0 0 243.646 2.733 20 5 BFBDRN CCOCCCNc1c(C)cccc1[N+](=O)[O-] ZINC000112208862 170382827 /nfs/dbraw/zinc/38/28/27/170382827.db2.gz ACXDHNZMLICSKM-UHFFFAOYSA-N 0 0 238.287 2.742 20 5 BFBDRN CCOCCCOc1ccc([N+](=O)[O-])cc1F ZINC000126489682 170384065 /nfs/dbraw/zinc/38/40/65/170384065.db2.gz VQIJHVKVLOMXGN-UHFFFAOYSA-N 0 0 243.234 2.539 20 5 BFBDRN CCOCCOc1cccc(Cl)c1[N+](=O)[O-] ZINC000132687999 170422977 /nfs/dbraw/zinc/42/29/77/170422977.db2.gz ASIGEOJWPFFESS-UHFFFAOYSA-N 0 0 245.662 2.664 20 5 BFBDRN CC[C@@H](C)[C@@H](C)Nc1ncc([N+](=O)[O-])c(C)n1 ZINC000295657057 170774747 /nfs/dbraw/zinc/77/47/47/170774747.db2.gz ZWKOEHQTNAZFDS-HTQZYQBOSA-N 0 0 238.291 2.540 20 5 BFBDRN CC[C@@H]1CCN(c2ncc(C)cc2[N+](=O)[O-])C1 ZINC000268048304 171016414 /nfs/dbraw/zinc/01/64/14/171016414.db2.gz RDGKREMGOGKBLW-SNVBAGLBSA-N 0 0 235.287 2.535 20 5 BFBDRN CC[C@@H]1CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000291795056 171019939 /nfs/dbraw/zinc/01/99/39/171019939.db2.gz PEAPLKNRHMMKSW-SNVBAGLBSA-N 0 0 249.270 2.611 20 5 BFBDRN CC[C@@H]1CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000292433267 171026491 /nfs/dbraw/zinc/02/64/91/171026491.db2.gz XQISDTDTDRCIRD-MRVPVSSYSA-N 0 0 241.678 2.632 20 5 BFBDRN CC[C@@H]1CCN1c1ccc([N+](=O)[O-])c(C)c1 ZINC000292367983 171027329 /nfs/dbraw/zinc/02/73/29/171027329.db2.gz RVZWGHKHZBSXNO-SNVBAGLBSA-N 0 0 220.272 2.892 20 5 BFBDRN CC[C@@H]1CCN1c1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000292400907 171027375 /nfs/dbraw/zinc/02/73/75/171027375.db2.gz UWEZEIVNKKBTBZ-LLVKDONJSA-N 0 0 248.282 2.786 20 5 BFBDRN CC[C@@H]1CC[C@H](C)N1c1ccc([N+](=O)[O-])nc1 ZINC000357266464 171056257 /nfs/dbraw/zinc/05/62/57/171056257.db2.gz HZKDZQAAAOZLGO-VHSXEESVSA-N 0 0 235.287 2.757 20 5 BFBDRN CC[C@@H]1C[C@@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC000227015437 171124955 /nfs/dbraw/zinc/12/49/55/171124955.db2.gz OYHZYPRBWIXPIT-XCBNKYQSSA-N 0 0 224.235 2.944 20 5 BFBDRN CC[C@@H]1C[C@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC000227012113 171141713 /nfs/dbraw/zinc/14/17/13/171141713.db2.gz JPKVFIBCEIZUEZ-RDDDGLTNSA-N 0 0 224.235 2.944 20 5 BFBDRN CC[C@@H]1C[C@H]1Nc1ncc([N+](=O)[O-])cc1Cl ZINC000227652484 171142371 /nfs/dbraw/zinc/14/23/71/171142371.db2.gz CIKCMLKPHWEQPT-HZGVNTEJSA-N 0 0 241.678 2.854 20 5 BFBDRN CC[C@@]1(C)CCN(c2ccncc2[N+](=O)[O-])C1 ZINC000361072536 171203282 /nfs/dbraw/zinc/20/32/82/171203282.db2.gz FHBXQPVPQQPWOF-LBPRGKRZSA-N 0 0 235.287 2.616 20 5 BFBDRN CC[C@H](C)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000248265319 171248973 /nfs/dbraw/zinc/24/89/73/171248973.db2.gz NZSCOOJOSVOPGD-VIFPVBQESA-N 0 0 248.282 2.530 20 5 BFBDRN CC[C@H](C)CNc1nc(C)ccc1[N+](=O)[O-] ZINC000088036163 171289203 /nfs/dbraw/zinc/28/92/03/171289203.db2.gz PIARIJAIQQWOET-QMMMGPOBSA-N 0 0 223.276 2.756 20 5 BFBDRN CC[C@H](C)CSCCn1ccc([N+](=O)[O-])n1 ZINC000124184276 171293642 /nfs/dbraw/zinc/29/36/42/171293642.db2.gz NWBHVXCUMQBDOP-VIFPVBQESA-N 0 0 243.332 2.571 20 5 BFBDRN CC[C@H](C)N(C)c1ncc(C)cc1[N+](=O)[O-] ZINC000301623930 171309162 /nfs/dbraw/zinc/30/91/62/171309162.db2.gz OXAHBSONSMBCPP-VIFPVBQESA-N 0 0 223.276 2.533 20 5 BFBDRN CC[C@H](C)Oc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000048264924 171356466 /nfs/dbraw/zinc/35/64/66/171356466.db2.gz LZPOVFRCJIVRDF-QMMMGPOBSA-N 0 0 237.255 2.975 20 5 BFBDRN CC[C@H](C)[C@@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000042417179 171367788 /nfs/dbraw/zinc/36/77/88/171367788.db2.gz VQTUZOXDSMYIHU-DTWKUNHWSA-N 0 0 223.276 2.836 20 5 BFBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(C)C ZINC000291463583 171846266 /nfs/dbraw/zinc/84/62/66/171846266.db2.gz PKGCYTSBAHLLMU-UHFFFAOYSA-N 0 0 236.271 2.752 20 5 BFBDRN CCn1cc(Nc2ccc([N+](=O)[O-])c(C)c2)cn1 ZINC000035781436 172187953 /nfs/dbraw/zinc/18/79/53/172187953.db2.gz OJHNBIJRIKSTRD-UHFFFAOYSA-N 0 0 246.270 2.863 20 5 BFBDRN CN(c1ccc([N+](=O)[O-])c2cnccc21)C1CC1 ZINC000298370703 172947589 /nfs/dbraw/zinc/94/75/89/172947589.db2.gz ZSUJYVDGKOAHIS-UHFFFAOYSA-N 0 0 243.266 2.742 20 5 BFBDRN COC(C)(C)CNc1c(C)cccc1[N+](=O)[O-] ZINC000135261703 173944968 /nfs/dbraw/zinc/94/49/68/173944968.db2.gz QTALQLGOLIBAGG-UHFFFAOYSA-N 0 0 238.287 2.740 20 5 BFBDRN COCCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000044659414 174205207 /nfs/dbraw/zinc/20/52/07/174205207.db2.gz AVWRHKBYCJMBST-UHFFFAOYSA-N 0 0 238.287 2.742 20 5 BFBDRN COCCCCOc1cccc(C)c1[N+](=O)[O-] ZINC000089740357 174205858 /nfs/dbraw/zinc/20/58/58/174205858.db2.gz BDTYAXLNYMAVGJ-UHFFFAOYSA-N 0 0 239.271 2.709 20 5 BFBDRN COCC[C@@H](C)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000045022766 174386850 /nfs/dbraw/zinc/38/68/50/174386850.db2.gz OHPNRGLJBKAIOM-SNVBAGLBSA-N 0 0 238.287 2.740 20 5 BFBDRN COC[C@H](C)Sc1cccc([N+](=O)[O-])c1 ZINC000337906437 174556276 /nfs/dbraw/zinc/55/62/76/174556276.db2.gz CRVZZLFFPZRVGB-QMMMGPOBSA-N 0 0 227.285 2.722 20 5 BFBDRN COc1cc(NC2CCC2)c([N+](=O)[O-])cc1F ZINC000268233316 175001283 /nfs/dbraw/zinc/00/12/83/175001283.db2.gz VVVNATLDUJWAFL-UHFFFAOYSA-N 0 0 240.234 2.707 20 5 BFBDRN COc1cc(NC[C@H]2C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000159436593 175002257 /nfs/dbraw/zinc/00/22/57/175002257.db2.gz WLRXVJVKBCUJJM-DTWKUNHWSA-N 0 0 236.271 2.671 20 5 BFBDRN COc1cc(OCC2CCC2)ccc1[N+](=O)[O-] ZINC000279937773 175011903 /nfs/dbraw/zinc/01/19/03/175011903.db2.gz LZPXOSUWPZIYSC-UHFFFAOYSA-N 0 0 237.255 2.782 20 5 BFBDRN COc1cc([N+](=O)[O-])ccc1OC1CCCC1 ZINC000183251252 175017637 /nfs/dbraw/zinc/01/76/37/175017637.db2.gz ZFSMXZXRUVSMLE-UHFFFAOYSA-N 0 0 237.255 2.925 20 5 BFBDRN COc1cccc(NCC(C)C)c1[N+](=O)[O-] ZINC000129691637 175278611 /nfs/dbraw/zinc/27/86/11/175278611.db2.gz TWXWAGASGCSTJH-UHFFFAOYSA-N 0 0 224.260 2.671 20 5 BFBDRN CSCCCNc1c(F)cccc1[N+](=O)[O-] ZINC000088134549 175488409 /nfs/dbraw/zinc/48/84/09/175488409.db2.gz BVUDWJVBXOTATJ-UHFFFAOYSA-N 0 0 244.291 2.899 20 5 BFBDRN C[C@@H]1CCCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000004716692 176102903 /nfs/dbraw/zinc/10/29/03/176102903.db2.gz WEEACGCKIRGUOP-MRVPVSSYSA-N 0 0 226.301 2.893 20 5 BFBDRN C[C@@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000075543226 176105457 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176380577 /nfs/dbraw/zinc/38/05/77/176380577.db2.gz XYNDDTKNEGKTET-ZJUUUORDSA-N 0 0 236.271 2.574 20 5 BFBDRN C[C@@H]1C[C@@H]1CC(=O)N(C)c1cccc([N+](=O)[O-])c1 ZINC000361965688 176388295 /nfs/dbraw/zinc/38/82/95/176388295.db2.gz UBWZCRWHIXBAQI-NXEZZACHSA-N 0 0 248.282 2.604 20 5 BFBDRN C[C@@H]1C[C@@H]1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000159443139 176398876 /nfs/dbraw/zinc/39/88/76/176398876.db2.gz YSCSPUOKDRKVHC-HTQZYQBOSA-N 0 0 246.270 2.539 20 5 BFBDRN C[C@@H](O)[C@H](C)SCc1ccccc1[N+](=O)[O-] ZINC000079069183 177027450 /nfs/dbraw/zinc/02/74/50/177027450.db2.gz PZCRIOQJJYYZNM-BDAKNGLRSA-N 0 0 241.312 2.597 20 5 BFBDRN C[C@@H](O)[C@H](C)Sc1c(F)cccc1[N+](=O)[O-] ZINC000288433285 177029009 /nfs/dbraw/zinc/02/90/09/177029009.db2.gz OKUHSQUJPASJBB-RQJHMYQMSA-N 0 0 245.275 2.595 20 5 BFBDRN C[C@H]1CCCCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000286861722 177070949 /nfs/dbraw/zinc/07/09/49/177070949.db2.gz MZSWGRATBVUHMU-JTQLQIEISA-N 0 0 249.314 2.803 20 5 BFBDRN C[C@H]1CCCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000283756325 177105757 /nfs/dbraw/zinc/10/57/57/177105757.db2.gz MBHPZEVCAYRMMC-JTQLQIEISA-N 0 0 249.314 2.803 20 5 BFBDRN C[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1F ZINC000172811540 177111422 /nfs/dbraw/zinc/11/14/22/177111422.db2.gz QTMVMHSLMZOTFC-QMMMGPOBSA-N 0 0 224.235 2.723 20 5 BFBDRN C[C@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])[C@H]1C ZINC000301493077 177171200 /nfs/dbraw/zinc/17/12/00/177171200.db2.gz QBCFXMJHYHNJEZ-IUCAKERBSA-N 0 0 238.262 2.969 20 5 BFBDRN C[C@H]1CC[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000129630662 177194202 /nfs/dbraw/zinc/19/42/02/177194202.db2.gz BNIOBOJITKWDRC-DTWKUNHWSA-N 0 0 221.260 2.590 20 5 BFBDRN C[C@H]1CC[C@H](C)N(c2ncc([N+](=O)[O-])s2)C1 ZINC000192472513 177198825 /nfs/dbraw/zinc/19/88/25/177198825.db2.gz TYADAFQJWSKFQQ-YUMQZZPRSA-N 0 0 241.316 2.676 20 5 BFBDRN C[C@H]1CC[C@H](N(C)c2ncc([N+](=O)[O-])s2)C1 ZINC000336932036 177204106 /nfs/dbraw/zinc/20/41/06/177204106.db2.gz QMIQYQIZLVVFKV-YUMQZZPRSA-N 0 0 241.316 2.676 20 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YSCSPUOKDRKVHC-YUMQZZPRSA-N 0 0 246.270 2.539 20 5 BFBDRN Cc1c(CNCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000035648828 177590755 /nfs/dbraw/zinc/59/07/55/177590755.db2.gz IJUQQVLILKGIKE-UHFFFAOYSA-N 0 0 248.204 2.555 20 5 BFBDRN Cc1c(NC(=O)N(C)C2CC2)cccc1[N+](=O)[O-] ZINC000110085991 177616273 /nfs/dbraw/zinc/61/62/73/177616273.db2.gz CBXJTHVLGOGYJW-UHFFFAOYSA-N 0 0 249.270 2.529 20 5 BFBDRN C[C@@H](F)CCOc1cccc([N+](=O)[O-])c1 ZINC000505466263 226355741 /nfs/dbraw/zinc/35/57/41/226355741.db2.gz DXXPNPJFSIGZLO-MRVPVSSYSA-N 0 0 213.208 2.722 20 5 BFBDRN CC(C)C[C@@H]1C[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000395352112 262786785 /nfs/dbraw/zinc/78/67/85/262786785.db2.gz SKWDSAKJQNPNEI-MWLCHTKSSA-N 0 0 235.287 2.836 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@@H](C2CC2)C2CCC2)nc1 ZINC000324880429 262797002 /nfs/dbraw/zinc/79/70/02/262797002.db2.gz KNVFWZFANGFNHU-CYBMUJFWSA-N 0 0 247.298 2.980 20 5 BFBDRN Cc1cnc(N2CC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000267639183 487936457 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326372818 /nfs/dbraw/zinc/37/28/18/326372818.db2.gz KTMBFCWDGPMAAW-GHMZBOCLSA-N 0 0 247.298 2.616 20 5 BFBDRN O=[N+]([O-])c1ncccc1NCCc1cccs1 ZINC000159289861 488018185 /nfs/dbraw/zinc/01/81/85/488018185.db2.gz FODQJSUVELTRMZ-UHFFFAOYSA-N 0 0 249.295 2.706 20 5 BFBDRN Cc1ccc(CCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000181982691 488052133 /nfs/dbraw/zinc/05/21/33/488052133.db2.gz WOPBUCJSGFIYIO-UHFFFAOYSA-N 0 0 245.282 2.733 20 5 BFBDRN C[C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000047264509 490248900 /nfs/dbraw/zinc/24/89/00/490248900.db2.gz QRMAMVLMTXXHFR-VIFPVBQESA-N 0 0 240.328 2.888 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(S[C@H](C)CCO)c1 ZINC000087151026 490377401 /nfs/dbraw/zinc/37/74/01/490377401.db2.gz LDSPRDOXULSISZ-SECBINFHSA-N 0 0 241.312 2.766 20 5 BFBDRN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCCCC1 ZINC000360840858 534878847 /nfs/dbraw/zinc/87/88/47/534878847.db2.gz DCSJOEYSFVIFNX-UHFFFAOYSA-N 0 0 248.282 2.788 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@@H]2CC3CCC2CC3)cn1 ZINC000311184816 534882238 /nfs/dbraw/zinc/88/22/38/534882238.db2.gz AIVVYWZOXYWGAC-RTYFJBAXSA-N 0 0 247.298 2.980 20 5 BFBDRN CCCN(C)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000488064656 527864678 /nfs/dbraw/zinc/86/46/78/527864678.db2.gz AFGYPERFZHIWML-UHFFFAOYSA-N 0 0 245.282 2.989 20 5 BFBDRN CCN(CC(C)C)c1ncc([N+](=O)[O-])s1 ZINC000195508386 527962294 /nfs/dbraw/zinc/96/22/94/527962294.db2.gz KGQDDLXVBIPDGA-UHFFFAOYSA-N 0 0 229.305 2.534 20 5 BFBDRN CCSCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352012383 535695204 /nfs/dbraw/zinc/69/52/04/535695204.db2.gz AZRFKAAGUPFJDP-UHFFFAOYSA-N 0 0 227.285 2.857 20 5 BFBDRN CC1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000894158429 583320941 /nfs/dbraw/zinc/32/09/41/583320941.db2.gz NANMYWUZJNMBKD-UHFFFAOYSA-N 0 0 240.690 2.700 20 5 BFBDRN Nc1ccc(OCCC2CCC2)cc1[N+](=O)[O-] ZINC000853662033 588753900 /nfs/dbraw/zinc/75/39/00/588753900.db2.gz BOKSDKPQDOJVAA-UHFFFAOYSA-N 0 0 236.271 2.746 20 5 BFBDRN CC[C@H](C)OC(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000111677974 588766373 /nfs/dbraw/zinc/76/63/73/588766373.db2.gz VJFDCGRGHPOPGN-ZETCQYMHSA-N 0 0 241.218 2.689 20 5 BFBDRN CC1(C)CC(Nc2ccc(N)cc2[N+](=O)[O-])C1 ZINC000853975787 588770557 /nfs/dbraw/zinc/77/05/57/588770557.db2.gz GRTNFHTXXAUVIS-UHFFFAOYSA-N 0 0 235.287 2.778 20 5 BFBDRN Cc1cc(C(=O)OCCC2CC2)ccc1[N+](=O)[O-] ZINC000744282042 582886672 /nfs/dbraw/zinc/88/66/72/582886672.db2.gz FLRXCZYQXNNNDJ-UHFFFAOYSA-N 0 0 249.266 2.860 20 5 BFBDRN COc1cc([N+](=O)[O-])cnc1N[C@@H]1CC=CCC1 ZINC000892605391 582927739 /nfs/dbraw/zinc/92/77/39/582927739.db2.gz RFIMUBAOHAZCDK-SECBINFHSA-N 0 0 249.270 2.519 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N2CC(CC3CC3)C2)n1 ZINC000856789512 588877990 /nfs/dbraw/zinc/87/79/90/588877990.db2.gz GOETYRWPDRBDML-UHFFFAOYSA-N 0 0 247.298 2.535 20 5 BFBDRN CCC[C@@H](CC)Sc1c([N+](=O)[O-])cnn1C ZINC000893621388 583175467 /nfs/dbraw/zinc/17/54/67/583175467.db2.gz SJGXRHSRNNJLOD-MRVPVSSYSA-N 0 0 243.332 2.999 20 5 BFBDRN CCCC[C@H](C(=O)O[C@@H](C)C[N+](=O)[O-])C(C)C ZINC000857030909 588882822 /nfs/dbraw/zinc/88/28/22/588882822.db2.gz KGYPPENFDUZFLL-QWRGUYRKSA-N 0 0 245.319 2.657 20 5 BFBDRN CCCCC[C@H](CC)C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814040175 583337508 /nfs/dbraw/zinc/33/75/08/583337508.db2.gz FAEGPKHZRHVYFK-MNOVXSKESA-N 0 0 245.319 2.801 20 5 BFBDRN O=[N+]([O-])c1cnc(NCCC2CC=CC2)s1 ZINC000896094769 583771773 /nfs/dbraw/zinc/77/17/73/583771773.db2.gz RCQGNWFOHVRVGI-UHFFFAOYSA-N 0 0 239.300 2.820 20 5 BFBDRN C/C=C(\C)C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000750903723 583848666 /nfs/dbraw/zinc/84/86/66/583848666.db2.gz HNVAYBXLEUNDSN-YCRREMRBSA-N 0 0 235.239 2.604 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CC[C@@H]2C2CCCC2)cn1 ZINC000897156992 583886549 /nfs/dbraw/zinc/88/65/49/583886549.db2.gz SJKRXNJKZRKAFW-GFCCVEGCSA-N 0 0 247.298 2.759 20 5 BFBDRN O=[N+]([O-])c1ncccc1N[C@@H]1C[C@H]2CCC[C@H]21 ZINC000897176819 583889822 /nfs/dbraw/zinc/88/98/22/583889822.db2.gz FGGLWDLDIHFURX-FXPVBKGRSA-N 0 0 233.271 2.590 20 5 BFBDRN Cc1nc(N[C@@H]2C[C@@H]3CCC[C@H]23)ccc1[N+](=O)[O-] ZINC000897179734 583890955 /nfs/dbraw/zinc/89/09/55/583890955.db2.gz KIMNNRHPRBBJCH-GARJFASQSA-N 0 0 247.298 2.899 20 5 BFBDRN CC(C)(C)c1ccc(OCC[N+](=O)[O-])cc1 ZINC000899230843 584183115 /nfs/dbraw/zinc/18/31/15/584183115.db2.gz LXEXKKURKCNLMO-UHFFFAOYSA-N 0 0 223.272 2.640 20 5 BFBDRN Cc1ccc(SCC[N+](=O)[O-])cc1C ZINC000899860903 584242795 /nfs/dbraw/zinc/24/27/95/584242795.db2.gz BBIVBMPMYXTXSF-UHFFFAOYSA-N 0 0 211.286 2.672 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CCF ZINC000899936967 584258435 /nfs/dbraw/zinc/25/84/35/584258435.db2.gz KPXIQRAZYRTXOS-UHFFFAOYSA-N 0 0 240.234 2.510 20 5 BFBDRN COC/C(C)=C\COc1cccc([N+](=O)[O-])c1 ZINC000901373750 584434922 /nfs/dbraw/zinc/43/49/22/584434922.db2.gz OZCKOSUHZAFAQZ-POHAHGRESA-N 0 0 237.255 2.566 20 5 BFBDRN C[C@H](SCC[N+](=O)[O-])c1cccs1 ZINC000901493896 584453357 /nfs/dbraw/zinc/45/33/57/584453357.db2.gz NPMNAXJKQOFGTM-ZETCQYMHSA-N 0 0 217.315 2.819 20 5 BFBDRN COc1ccccc1[C@H](C)SCC[N+](=O)[O-] ZINC000901496810 584453732 /nfs/dbraw/zinc/45/37/32/584453732.db2.gz LBBHKIJVGDPGID-VIFPVBQESA-N 0 0 241.312 2.766 20 5 BFBDRN CC(C)(C)c1cnc(SCC[N+](=O)[O-])s1 ZINC000901509370 584456795 /nfs/dbraw/zinc/45/67/95/584456795.db2.gz NYRSBQLSXROTBB-UHFFFAOYSA-N 0 0 246.357 2.809 20 5 BFBDRN CC1(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC=CC1 ZINC000901517906 584461937 /nfs/dbraw/zinc/46/19/37/584461937.db2.gz NSKGLGVGRCVFBZ-UHFFFAOYSA-N 0 0 246.266 2.890 20 5 BFBDRN CCCOC(=O)Oc1cccc(C)c1[N+](=O)[O-] ZINC000859079710 588998571 /nfs/dbraw/zinc/99/85/71/588998571.db2.gz SFSFWTXCDXFSPJ-UHFFFAOYSA-N 0 0 239.227 2.829 20 5 BFBDRN CCCOC(=O)Oc1ccc(C)c([N+](=O)[O-])c1 ZINC000859081409 588998920 /nfs/dbraw/zinc/99/89/20/588998920.db2.gz ZFLLDUWLWCHFGW-UHFFFAOYSA-N 0 0 239.227 2.829 20 5 BFBDRN CC(C)COc1c(F)cc(F)cc1[N+](=O)[O-] ZINC000902697400 584654845 /nfs/dbraw/zinc/65/48/45/584654845.db2.gz XPXPFMXSIYFPBP-UHFFFAOYSA-N 0 0 231.198 2.908 20 5 BFBDRN CCC[C@H](CC(C)C)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000835454289 584925989 /nfs/dbraw/zinc/92/59/89/584925989.db2.gz IOJYMAINRZSWBE-WDEREUQCSA-N 0 0 245.319 2.657 20 5 BFBDRN CC[C@H](C)OC(=O)c1ccc([N+](=O)[O-])s1 ZINC000738567045 585047499 /nfs/dbraw/zinc/04/74/99/585047499.db2.gz KAAUAKXYQNWZGT-LURJTMIESA-N 0 0 229.257 2.612 20 5 BFBDRN CC[C@H](C)OC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000738583477 585047648 /nfs/dbraw/zinc/04/76/48/585047648.db2.gz YQDXSDGGWAKJMI-VIFPVBQESA-N 0 0 237.255 2.859 20 5 BFBDRN C[C@@H]1C[C@@H](C)N(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000740870263 585107408 /nfs/dbraw/zinc/10/74/08/585107408.db2.gz CFVCZFDQGDZRSO-RKDXNWHRSA-N 0 0 238.262 2.969 20 5 BFBDRN O=C(OCCC1CC1)c1ccccc1[N+](=O)[O-] ZINC000744286709 585147407 /nfs/dbraw/zinc/14/74/07/585147407.db2.gz OCSMSIABFRZMJR-UHFFFAOYSA-N 0 0 235.239 2.552 20 5 BFBDRN CC(C)=C(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000751116797 585224339 /nfs/dbraw/zinc/22/43/39/585224339.db2.gz FGFUIYNMHVMTTI-UHFFFAOYSA-N 0 0 234.255 2.890 20 5 BFBDRN C/C=C\C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000752415985 585245903 /nfs/dbraw/zinc/24/59/03/585245903.db2.gz RPKCCMPSYOVPDS-UMCURTJPSA-N 0 0 248.282 2.657 20 5 BFBDRN Cc1ccc(N2CC(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000754064896 585277123 /nfs/dbraw/zinc/27/71/23/585277123.db2.gz NTAAZOFCBMCUIO-UHFFFAOYSA-N 0 0 234.299 2.995 20 5 BFBDRN CC1(Nc2nc3ccccn3c2[N+](=O)[O-])CCC1 ZINC000754785547 585290926 /nfs/dbraw/zinc/29/09/26/585290926.db2.gz MOPRKCIHCNAQMY-UHFFFAOYSA-N 0 0 246.270 2.597 20 5 BFBDRN CC[C@@H](C)COC(=O)c1ccc([N+](=O)[O-])s1 ZINC000756338409 585317943 /nfs/dbraw/zinc/31/79/43/585317943.db2.gz LLTZBEFBPRZCQS-SSDOTTSWSA-N 0 0 243.284 2.859 20 5 BFBDRN C[C@@H]1C[C@H](C)CN1c1ccc([N+](=O)[O-])cc1 ZINC000756968667 585325698 /nfs/dbraw/zinc/32/56/98/585325698.db2.gz HDVPNUBERCFVJH-VHSXEESVSA-N 0 0 220.272 2.830 20 5 BFBDRN Cc1cccc([N+](=O)[O-])c1OC(=O)C=C1CCC1 ZINC000760018809 585384415 /nfs/dbraw/zinc/38/44/15/585384415.db2.gz RRUKCAMAVPODNP-UHFFFAOYSA-N 0 0 247.250 2.919 20 5 BFBDRN CC(=O)c1c(NCC2CC2)cccc1[N+](=O)[O-] ZINC000763207336 585444428 /nfs/dbraw/zinc/44/44/28/585444428.db2.gz VWEYDRGTBXDSKD-UHFFFAOYSA-N 0 0 234.255 2.619 20 5 BFBDRN C/C=C/COC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000763404524 585447741 /nfs/dbraw/zinc/44/77/41/585447741.db2.gz HPCVZROONWJXJA-HMDXOVGESA-N 0 0 249.266 2.818 20 5 BFBDRN C/C=C\COC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000765503878 585488432 /nfs/dbraw/zinc/48/84/32/585488432.db2.gz VHMVGBRUWOSOIO-ARJAWSKDSA-N 0 0 249.266 2.565 20 5 BFBDRN Cc1ccc(C)c(CSCC[N+](=O)[O-])c1 ZINC000775191450 585673458 /nfs/dbraw/zinc/67/34/58/585673458.db2.gz HSBRKYAGCIPTDR-UHFFFAOYSA-N 0 0 225.313 2.813 20 5 BFBDRN Cc1cccc(CSCC[N+](=O)[O-])c1 ZINC000775192994 585673488 /nfs/dbraw/zinc/67/34/88/585673488.db2.gz ITOKSMZDFSFQAS-UHFFFAOYSA-N 0 0 211.286 2.505 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(OC/C=C\Cl)n1 ZINC000775213256 585673656 /nfs/dbraw/zinc/67/36/56/585673656.db2.gz GFDPGZJWKTYLGK-ARJAWSKDSA-N 0 0 242.662 2.738 20 5 BFBDRN O=[N+]([O-])c1ccc(/C=C\c2ccc(F)nc2)nc1 ZINC000777466609 585713339 /nfs/dbraw/zinc/71/33/39/585713339.db2.gz AXBPFENVRRJXQD-IWQZZHSRSA-N 0 0 245.213 2.694 20 5 BFBDRN C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C[C@@H]1F ZINC000778002298 585724963 /nfs/dbraw/zinc/72/49/63/585724963.db2.gz YRGUFWUXDKBJFU-CABZTGNLSA-N 0 0 238.262 2.779 20 5 BFBDRN O=C(OC1CC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000783193737 585829708 /nfs/dbraw/zinc/82/97/08/585829708.db2.gz HZSIKWZSAVZBCY-UHFFFAOYSA-N 0 0 241.630 2.567 20 5 BFBDRN Cc1c(COC(=O)[C@@H]2C[C@H]2C)cccc1[N+](=O)[O-] ZINC000786381724 585890732 /nfs/dbraw/zinc/89/07/32/585890732.db2.gz SCRLUNVTYIYJIM-LDYMZIIASA-N 0 0 249.266 2.602 20 5 BFBDRN C[C@@H]1C[C@H](C)CN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000786559020 585895166 /nfs/dbraw/zinc/89/51/66/585895166.db2.gz DHRJFSRLHVCBFL-AOOOYVTPSA-N 0 0 249.314 2.659 20 5 BFBDRN O=[N+]([O-])c1ccc(/C=C/Sc2ncco2)o1 ZINC000789983103 585955498 /nfs/dbraw/zinc/95/54/98/585955498.db2.gz VMJDBMWDBDBHEP-ZZXKWVIFSA-N 0 0 238.224 2.939 20 5 BFBDRN C[C@H](c1ccc(Cl)cc1)N(C)CC[N+](=O)[O-] ZINC000791053329 585973086 /nfs/dbraw/zinc/97/30/86/585973086.db2.gz KWKQUYKFNKRELS-SECBINFHSA-N 0 0 242.706 2.610 20 5 BFBDRN CCSCOc1cccc([N+](=O)[O-])c1C ZINC000791436618 585981432 /nfs/dbraw/zinc/98/14/32/585981432.db2.gz FYWANWHVPKIVST-UHFFFAOYSA-N 0 0 227.285 2.993 20 5 BFBDRN CC1=CCCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000797842724 586132867 /nfs/dbraw/zinc/13/28/67/586132867.db2.gz ZSZXTGVUZADRFK-UHFFFAOYSA-N 0 0 236.246 2.890 20 5 BFBDRN Nc1ccc([N+](=O)[O-])c(NCCC2CCC2)c1 ZINC000800857221 586234127 /nfs/dbraw/zinc/23/41/27/586234127.db2.gz JSWLJDFLSLCUFD-UHFFFAOYSA-N 0 0 235.287 2.779 20 5 BFBDRN Cc1cn(Cc2ccc(CF)cc2)nc1[N+](=O)[O-] ZINC000800870665 586235018 /nfs/dbraw/zinc/23/50/18/586235018.db2.gz ZYLXERDYFWMONK-UHFFFAOYSA-N 0 0 249.245 2.618 20 5 BFBDRN CC[C@H](C)OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000103665540 586286735 /nfs/dbraw/zinc/28/67/35/586286735.db2.gz DFFFIZLNAVRAIJ-QMMMGPOBSA-N 0 0 223.228 2.550 20 5 BFBDRN C[C@H]1CCN1c1cc(Cl)ccc1[N+](=O)[O-] ZINC000804374581 586394054 /nfs/dbraw/zinc/39/40/54/586394054.db2.gz AZTVDMTWTBMBSQ-ZETCQYMHSA-N 0 0 226.663 2.847 20 5 BFBDRN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC1CC=CC1 ZINC000804551728 586399898 /nfs/dbraw/zinc/39/98/98/586399898.db2.gz QNOKYUIHUXUNDM-UHFFFAOYSA-N 0 0 249.226 2.634 20 5 BFBDRN C[C@@H]1CC[C@@H](Nc2ccc(N)cc2[N+](=O)[O-])C1 ZINC000804630636 586404288 /nfs/dbraw/zinc/40/42/88/586404288.db2.gz GOIWMDMMSKBNIB-PSASIEDQSA-N 0 0 235.287 2.778 20 5 BFBDRN CC[C@@H](C)c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000812812782 586587298 /nfs/dbraw/zinc/58/72/98/586587298.db2.gz SCPXXCMQHJPHES-MRVPVSSYSA-N 0 0 241.291 2.571 20 5 BFBDRN CCCCCC[C@@H](C)C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813110112 586593206 /nfs/dbraw/zinc/59/32/06/586593206.db2.gz ZPFYWFONWDZTLS-GHMZBOCLSA-N 0 0 245.319 2.801 20 5 BFBDRN CC[C@@H](C)CCCCC(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814041519 586612500 /nfs/dbraw/zinc/61/25/00/586612500.db2.gz AVYDCPFLUOOEIP-GHMZBOCLSA-N 0 0 245.319 2.801 20 5 BFBDRN CCC1CN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000840320158 586621884 /nfs/dbraw/zinc/62/18/84/586621884.db2.gz JSMIRIRJFHILBV-UHFFFAOYSA-N 0 0 242.225 2.719 20 5 BFBDRN CCSCOc1c(Cl)cncc1[N+](=O)[O-] ZINC000814765157 586632819 /nfs/dbraw/zinc/63/28/19/586632819.db2.gz UDPFJKRAOWZDHA-UHFFFAOYSA-N 0 0 248.691 2.733 20 5 BFBDRN Cc1ccc(OC(=O)[C@@H]2CC23CC3)c([N+](=O)[O-])c1 ZINC000817423624 586804073 /nfs/dbraw/zinc/80/40/73/586804073.db2.gz OWQRRLLIBQCODL-VIFPVBQESA-N 0 0 247.250 2.609 20 5 BFBDRN Cc1cnc(NCCc2cccc([N+](=O)[O-])c2)o1 ZINC000820681031 587066245 /nfs/dbraw/zinc/06/62/45/587066245.db2.gz GYWKIWIEBJJXIH-UHFFFAOYSA-N 0 0 247.254 2.546 20 5 BFBDRN C/C(=C\c1cccc([N+](=O)[O-])c1)c1ncccn1 ZINC000821017681 587088464 /nfs/dbraw/zinc/08/84/64/587088464.db2.gz LOKYHLSLBVCWIW-CSKARUKUSA-N 0 0 241.250 2.945 20 5 BFBDRN CCN(CCSC)c1ccc([N+](=O)[O-])cc1 ZINC000826851331 587364156 /nfs/dbraw/zinc/36/41/56/587364156.db2.gz NPOPBXMUQNYJFO-UHFFFAOYSA-N 0 0 240.328 2.784 20 5 BFBDRN CC[C@@H]1C[C@H]1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000828812315 587463459 /nfs/dbraw/zinc/46/34/59/587463459.db2.gz XLGQTYWFZIVEBT-BDAKNGLRSA-N 0 0 235.287 2.635 20 5 BFBDRN CC(C)[C@@H]1CCN1c1ccc([N+](=O)[O-])cc1 ZINC000829047456 587480546 /nfs/dbraw/zinc/48/05/46/587480546.db2.gz PTAXVXJVAKAEQY-LBPRGKRZSA-N 0 0 220.272 2.830 20 5 BFBDRN CC(C)[C@@H]1C[C@H]1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000829063128 587481355 /nfs/dbraw/zinc/48/13/55/587481355.db2.gz OXOFFOGAKYXOBR-ONGXEEELSA-N 0 0 249.314 2.881 20 5 BFBDRN CCCCCOC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835083959 587781342 /nfs/dbraw/zinc/78/13/42/587781342.db2.gz JCWWJUXIZXUCRG-UHFFFAOYSA-N 0 0 231.292 2.555 20 5 BFBDRN CC(C)(CCC(=O)OCC1CCCC1)[N+](=O)[O-] ZINC000835092468 587782678 /nfs/dbraw/zinc/78/26/78/587782678.db2.gz SJOLCWJCPHXZIN-UHFFFAOYSA-N 0 0 243.303 2.555 20 5 BFBDRN Cc1ccc(COC(=O)CC2CC2)cc1[N+](=O)[O-] ZINC000835483743 587804643 /nfs/dbraw/zinc/80/46/43/587804643.db2.gz OEXJFYWWGOTBRY-UHFFFAOYSA-N 0 0 249.266 2.747 20 5 BFBDRN Cc1ccc(COC(=O)[C@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000835483154 587804689 /nfs/dbraw/zinc/80/46/89/587804689.db2.gz CEVYPDFMLOWLCU-KOLCDFICSA-N 0 0 249.266 2.602 20 5 BFBDRN CC(C)(CCC(=O)OCCCCCF)[N+](=O)[O-] ZINC000837924752 587903492 /nfs/dbraw/zinc/90/34/92/587903492.db2.gz IOXINTIDMIZSAO-UHFFFAOYSA-N 0 0 249.282 2.505 20 5 BFBDRN O=[N+]([O-])c1ccc(S[C@H]2CCSC2)nc1 ZINC000849888510 588507500 /nfs/dbraw/zinc/50/75/00/588507500.db2.gz JGOLMXBIYOCDFP-QMMMGPOBSA-N 0 0 242.325 2.587 20 5 BFBDRN O=C(Oc1cccc([N+](=O)[O-])c1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000850743227 588564234 /nfs/dbraw/zinc/56/42/34/588564234.db2.gz UZWWRWDHTJXMQX-MYJAWHEDSA-N 0 0 247.250 2.546 20 5 BFBDRN CCCC[C@@H](CC)C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851124460 588591954 /nfs/dbraw/zinc/59/19/54/588591954.db2.gz XCJHNXUJAVWYGO-SNVBAGLBSA-N 0 0 245.319 2.801 20 5 BFBDRN CCSCCOc1cc(F)ccc1[N+](=O)[O-] ZINC000118609522 589182713 /nfs/dbraw/zinc/18/27/13/589182713.db2.gz NIKQMRJCAFAKCB-UHFFFAOYSA-N 0 0 245.275 2.866 20 5 BFBDRN Cc1ncc([N+](=O)[O-])n1CCC(F)=C(F)F ZINC000863295396 589277270 /nfs/dbraw/zinc/27/72/70/589277270.db2.gz RYHLJIHVXQHFBY-UHFFFAOYSA-N 0 0 235.165 2.567 20 5 BFBDRN Cc1ccc([N+](=O)[O-])cc1OC(=O)C1(C)CC1 ZINC000123496998 589734537 /nfs/dbraw/zinc/73/45/37/589734537.db2.gz VEMPYCNCJFCLIL-UHFFFAOYSA-N 0 0 235.239 2.609 20 5 BFBDRN Cc1conc1COc1cc([N+](=O)[O-])ccc1C ZINC000871648161 589781943 /nfs/dbraw/zinc/78/19/43/589781943.db2.gz HFLGTTVRHOHERW-UHFFFAOYSA-N 0 0 248.238 2.779 20 5 BFBDRN Cc1conc1COc1cccc(C)c1[N+](=O)[O-] ZINC000871664454 589784894 /nfs/dbraw/zinc/78/48/94/589784894.db2.gz XIAYYYBAJJTIJQ-UHFFFAOYSA-N 0 0 248.238 2.779 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(C)c1CNc1ccon1 ZINC000871861513 589826556 /nfs/dbraw/zinc/82/65/56/589826556.db2.gz JWTNFLRDOCDWTI-UHFFFAOYSA-N 0 0 247.254 2.812 20 5 BFBDRN O=[N+]([O-])c1cnc(NCCC[C@H]2C=CCC2)nc1 ZINC000872695793 589962527 /nfs/dbraw/zinc/96/25/27/589962527.db2.gz YLTWRLCUNJNDGH-JTQLQIEISA-N 0 0 248.286 2.543 20 5 BFBDRN C/C=C(/C)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000874625838 590119100 /nfs/dbraw/zinc/11/91/00/590119100.db2.gz YVYQYACEBBBPOD-ZUYFITGHSA-N 0 0 248.282 2.738 20 5 BFBDRN C/C=C/C=C\C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000209384465 590163661 /nfs/dbraw/zinc/16/36/61/590163661.db2.gz OSXRSQUZDJCXLS-HOJFPOIOSA-N 0 0 247.250 2.770 20 5 BFBDRN C=C/C=C/CCn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000877888746 590440542 /nfs/dbraw/zinc/44/05/42/590440542.db2.gz MBWHFJNNJCKLDX-ONEGZZNKSA-N 0 0 233.271 2.801 20 5 BFBDRN CCON(CC)Cc1ccc([N+](=O)[O-])cc1F ZINC000879796298 590873977 /nfs/dbraw/zinc/87/39/77/590873977.db2.gz SPKPSPSZMCJKER-UHFFFAOYSA-N 0 0 242.250 2.507 20 5 BFBDRN CCON(CC)Cc1cccc([N+](=O)[O-])c1C ZINC000879795348 590874140 /nfs/dbraw/zinc/87/41/40/590874140.db2.gz SNACSTSRMAZICY-UHFFFAOYSA-N 0 0 238.287 2.677 20 5 BFBDRN CSC(C)(C)CNc1ccncc1[N+](=O)[O-] ZINC000128011500 590878796 /nfs/dbraw/zinc/87/87/96/590878796.db2.gz APJRYPGGFJODNK-UHFFFAOYSA-N 0 0 241.316 2.543 20 5 BFBDRN C[C@H](CNc1ccnc(F)c1[N+](=O)[O-])C1CC1 ZINC000881843403 591274393 /nfs/dbraw/zinc/27/43/93/591274393.db2.gz BNCSQNVHFLXVGH-SSDOTTSWSA-N 0 0 239.250 2.587 20 5 BFBDRN CN(CC(C)(C)C)c1ccnc(F)c1[N+](=O)[O-] ZINC000881907534 591277286 /nfs/dbraw/zinc/27/72/86/591277286.db2.gz PNFRSRUBSWGWOC-UHFFFAOYSA-N 0 0 241.266 2.611 20 5 BFBDRN O=[N+]([O-])c1c(F)nccc1N[C@H]1CC=CCC1 ZINC000881996633 591286072 /nfs/dbraw/zinc/28/60/72/591286072.db2.gz YMVWAZWYFYTGQW-QMMMGPOBSA-N 0 0 237.234 2.650 20 5 BFBDRN C[C@@H]1CC[C@@H](Nc2ccnc(F)c2[N+](=O)[O-])C1 ZINC000882230212 591318930 /nfs/dbraw/zinc/31/89/30/591318930.db2.gz YLRCNFQDDIRLRZ-HTQZYQBOSA-N 0 0 239.250 2.729 20 5 BFBDRN CC1(C)CC[C@@H]1Nc1ccnc(F)c1[N+](=O)[O-] ZINC000882362486 591337498 /nfs/dbraw/zinc/33/74/98/591337498.db2.gz AKQLSAZJKJSYMY-QMMMGPOBSA-N 0 0 239.250 2.729 20 5 BFBDRN CC(=O)c1c(N[C@@H]2C=CCC2)cccc1[N+](=O)[O-] ZINC000882601212 591397462 /nfs/dbraw/zinc/39/74/62/591397462.db2.gz PGWCPFDTBKMSPH-SNVBAGLBSA-N 0 0 246.266 2.928 20 5 BFBDRN CCC(F)(F)CNc1ccnc(F)c1[N+](=O)[O-] ZINC000882652946 591406920 /nfs/dbraw/zinc/40/69/20/591406920.db2.gz QDQSDQODMBRGAG-UHFFFAOYSA-N 0 0 249.192 2.586 20 5 BFBDRN O=[N+]([O-])c1sccc1N1CCC[C@H](CF)C1 ZINC000882801509 591443906 /nfs/dbraw/zinc/44/39/06/591443906.db2.gz SMPZYAKCMRFPTG-MRVPVSSYSA-N 0 0 244.291 2.842 20 5 BFBDRN Cc1cccc([N+](=O)[O-])c1N1CC[C@@H](CF)C1 ZINC000882840286 591451157 /nfs/dbraw/zinc/45/11/57/591451157.db2.gz QGTBQKZHCMXJIE-JTQLQIEISA-N 0 0 238.262 2.699 20 5 BFBDRN Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H](CF)C1 ZINC000882841563 591451924 /nfs/dbraw/zinc/45/19/24/591451924.db2.gz YWYDDIQZOCYFCA-JTQLQIEISA-N 0 0 238.262 2.699 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](CF)C2)c1 ZINC000882841394 591452445 /nfs/dbraw/zinc/45/24/45/591452445.db2.gz UUBBUTODYPGEEL-JTQLQIEISA-N 0 0 238.262 2.699 20 5 BFBDRN C/C=C(/C)C(=O)Oc1ccc(C)c([N+](=O)[O-])c1 ZINC000131685479 591640754 /nfs/dbraw/zinc/64/07/54/591640754.db2.gz PDEHKVKSYMDPNG-YWEYNIOJSA-N 0 0 235.239 2.775 20 5 BFBDRN CN(CCCF)c1ccc([N+](=O)[O-])cc1F ZINC000884856085 592024318 /nfs/dbraw/zinc/02/43/18/592024318.db2.gz ZNOPIWGHROILSZ-UHFFFAOYSA-N 0 0 230.214 2.530 20 5 BFBDRN C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886127158 592159082 /nfs/dbraw/zinc/15/90/82/592159082.db2.gz CQYHIEDCBZIBSU-JQWIXIFHSA-N 0 0 249.314 2.658 20 5 BFBDRN CC(C)C(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000066879519 634508596 /nfs/dbraw/zinc/50/85/96/634508596.db2.gz MWRADHVMUMDYLW-VIFPVBQESA-N 0 0 237.255 2.855 20 5 BFBDRN C[C@H](OC(=O)[C@@H]1C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000066879475 634508954 /nfs/dbraw/zinc/50/89/54/634508954.db2.gz RYGDAIZCNFVOFH-VDDIYKPWSA-N 0 0 249.266 2.855 20 5 BFBDRN CCC(=O)Oc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000060733878 631467199 /nfs/dbraw/zinc/46/71/99/631467199.db2.gz SNXWFQRWBCDOPU-UHFFFAOYSA-N 0 0 223.228 2.527 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CCCC(F)(F)C2)cc1 ZINC000220854524 631642551 /nfs/dbraw/zinc/64/25/51/631642551.db2.gz NQNNGBNINYJGFM-UHFFFAOYSA-N 0 0 242.225 2.830 20 5 BFBDRN CC(C)=CCSCc1c([N+](=O)[O-])ncn1C ZINC000342061004 631645220 /nfs/dbraw/zinc/64/52/20/631645220.db2.gz NNSMXCATLIOMRM-UHFFFAOYSA-N 0 0 241.316 2.528 20 5 BFBDRN C[C@@H](OC(=O)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000098161118 631650831 /nfs/dbraw/zinc/65/08/31/631650831.db2.gz RCBTUPKNRBAJSI-SECBINFHSA-N 0 0 249.266 2.999 20 5 BFBDRN CCCCOC(=O)c1csc([N+](=O)[O-])c1 ZINC000061521286 632062250 /nfs/dbraw/zinc/06/22/50/632062250.db2.gz BCTKTNXWLGMUQJ-UHFFFAOYSA-N 0 0 229.257 2.613 20 5 BFBDRN O=C(OCC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000126842931 636055543 /nfs/dbraw/zinc/05/55/43/636055543.db2.gz XGSQIAQEVAAOMX-UHFFFAOYSA-N 0 0 249.266 2.942 20 5 BFBDRN CC1(COc2ccc(N)c([N+](=O)[O-])c2)CCC1 ZINC000203032650 634178546 /nfs/dbraw/zinc/17/85/46/634178546.db2.gz ILIVTWJZOCMSJC-UHFFFAOYSA-N 0 0 236.271 2.746 20 5 BFBDRN CC[C@@H](C)Oc1cccc(NCC[N+](=O)[O-])c1 ZINC000905316842 637742940 /nfs/dbraw/zinc/74/29/40/637742940.db2.gz YDNHUKPMJBFHEE-SNVBAGLBSA-N 0 0 238.287 2.553 20 5 BFBDRN CSc1ccc(NCC[N+](=O)[O-])cc1Cl ZINC000905328814 637761020 /nfs/dbraw/zinc/76/10/20/637761020.db2.gz MNOHPUXSTSLKPY-UHFFFAOYSA-N 0 0 246.719 2.751 20 5 BFBDRN CC(C)=CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000055466641 640471944 /nfs/dbraw/zinc/47/19/44/640471944.db2.gz RIWUCUQSBCCWRW-JTQLQIEISA-N 0 0 248.282 2.738 20 5 BFBDRN CCCC(=O)Oc1ccc(C)cc1[N+](=O)[O-] ZINC000060733945 640883189 /nfs/dbraw/zinc/88/31/89/640883189.db2.gz QUQSFFQUKJHBLT-UHFFFAOYSA-N 0 0 223.228 2.609 20 5 BFBDRN Cc1cc(C)c(OC(=O)C2CC2)c([N+](=O)[O-])c1 ZINC000060733880 640883278 /nfs/dbraw/zinc/88/32/78/640883278.db2.gz ZFYRXCJHNNSJNR-UHFFFAOYSA-N 0 0 235.239 2.527 20 5 BFBDRN Cc1ccc(OC(=O)CC2CCC2)c([N+](=O)[O-])c1 ZINC000076838058 641012462 /nfs/dbraw/zinc/01/24/62/641012462.db2.gz YRNRBBHSODODSU-UHFFFAOYSA-N 0 0 249.266 2.999 20 5 BFBDRN O=Cc1ccc([N+](=O)[O-])c(OCCC2CC2)c1 ZINC000088490830 641361921 /nfs/dbraw/zinc/36/19/21/641361921.db2.gz ASRRAXNNQCRJPF-UHFFFAOYSA-N 0 0 235.239 2.586 20 5 BFBDRN Cc1c(OC(=O)c2ccco2)cccc1[N+](=O)[O-] ZINC000048556322 641691921 /nfs/dbraw/zinc/69/19/21/641691921.db2.gz PGAUYAAOMBXSQH-UHFFFAOYSA-N 0 0 247.206 2.715 20 5 BFBDRN C/C=C\COC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000914585694 641738743 /nfs/dbraw/zinc/73/87/43/641738743.db2.gz ZDTVMEXYNBGJST-ARJAWSKDSA-N 0 0 241.268 2.698 20 5 BFBDRN Cc1ncc(COc2ccc(C)cc2[N+](=O)[O-])o1 ZINC000916203692 641917739 /nfs/dbraw/zinc/91/77/39/641917739.db2.gz ZTPXDRPGDNCXPW-UHFFFAOYSA-N 0 0 248.238 2.779 20 5 BFBDRN CC[C@H](C)C(=O)Oc1ccc(C)cc1[N+](=O)[O-] ZINC000078493695 641928090 /nfs/dbraw/zinc/92/80/90/641928090.db2.gz JESIKHNXCMZDRE-VIFPVBQESA-N 0 0 237.255 2.855 20 5 BFBDRN O=C(OC/C=C\Cl)c1ccc([N+](=O)[O-])s1 ZINC000916583155 641954032 /nfs/dbraw/zinc/95/40/32/641954032.db2.gz NHCFYOMWYWUFQR-RJRFIUFISA-N 0 0 247.659 2.566 20 5 BFBDRN O=C(OC/C=C\Cl)c1ccccc1[N+](=O)[O-] ZINC000916617301 641960657 /nfs/dbraw/zinc/96/06/57/641960657.db2.gz PRQLXNWFYUVHKE-UTCJRWHESA-N 0 0 241.630 2.504 20 5 BFBDRN O=[N+]([O-])c1nccn1CCC1CCCCC1 ZINC000918368019 642189134 /nfs/dbraw/zinc/18/91/34/642189134.db2.gz BUQKHPTXCHQBQB-UHFFFAOYSA-N 0 0 223.276 2.762 20 5 BFBDRN Cc1ccc(CCCn2ccnc2[N+](=O)[O-])cc1 ZINC000918377919 642192648 /nfs/dbraw/zinc/19/26/48/642192648.db2.gz NGINAJWHCFXOIT-UHFFFAOYSA-N 0 0 245.282 2.733 20 5 BFBDRN C[C@@H]1CCCC[C@@H]1Cn1ccnc1[N+](=O)[O-] ZINC000918388064 642195740 /nfs/dbraw/zinc/19/57/40/642195740.db2.gz WNDMDZMYMFRVNL-NXEZZACHSA-N 0 0 223.276 2.618 20 5 BFBDRN CC(C)CCCOC(=O)c1ccc([N+](=O)[O-])o1 ZINC000918495498 642209894 /nfs/dbraw/zinc/20/98/94/642209894.db2.gz MEVRHFVAEBSAAY-UHFFFAOYSA-N 0 0 241.243 2.781 20 5 BFBDRN C[C@@H]1CCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000920057043 642426971 /nfs/dbraw/zinc/42/69/71/642426971.db2.gz HRDLXLPSVXCXGK-SSDOTTSWSA-N 0 0 226.663 2.847 20 5 BFBDRN C[C@H](OC(=O)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000098161117 642680386 /nfs/dbraw/zinc/68/03/86/642680386.db2.gz RCBTUPKNRBAJSI-VIFPVBQESA-N 0 0 249.266 2.999 20 5 BFBDRN Cc1ccoc1C(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000070719180 643066208 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/nfs/dbraw/zinc/28/85/20/644288520.db2.gz HILPRDHCUMNUSW-UHFFFAOYSA-N 0 0 241.268 2.779 20 5 BFBDRN C[Si](C)(C)COc1cccc([N+](=O)[O-])c1 ZINC000199957128 644503789 /nfs/dbraw/zinc/50/37/89/644503789.db2.gz SMSQVNFZICNGQI-UHFFFAOYSA-N 0 0 225.320 2.851 20 5 BFBDRN O=C(/C=C\C1CC1)OCc1ccccc1[N+](=O)[O-] ZINC000745554143 644578764 /nfs/dbraw/zinc/57/87/64/644578764.db2.gz MVMLFCBSADFQBF-FPLPWBNLSA-N 0 0 247.250 2.604 20 5 BFBDRN CCc1nccn1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094775084 644727309 /nfs/dbraw/zinc/72/73/09/644727309.db2.gz QDHXNYWIGKCWBH-UHFFFAOYSA-N 0 0 249.245 2.541 20 5 BFBDRN O=[N+]([O-])c1ccsc1N[C@H]1C=CCC1 ZINC000853799412 645499302 /nfs/dbraw/zinc/49/93/02/645499302.db2.gz FPDQEJGJRKKCEH-ZETCQYMHSA-N 0 0 210.258 2.787 20 5 BFBDRN C[C@@H](NC(=O)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000928247058 645719318 /nfs/dbraw/zinc/71/93/18/645719318.db2.gz OWVYNQGGWUZVFA-SECBINFHSA-N 0 0 248.282 2.572 20 5 BFBDRN C[C@@H](NC(=O)C1(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000928246738 645719965 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Cc1cc(Oc2ncc(F)cn2)ccc1[N+](=O)[O-] ZINC000301804066 178216117 /nfs/dbraw/zinc/21/61/17/178216117.db2.gz XRJZNPOWOQJWKQ-UHFFFAOYSA-N 0 0 249.201 2.625 20 5 BFBDRN Cc1cc(SC[C@@H](C)CO)ccc1[N+](=O)[O-] ZINC000085137923 178217929 /nfs/dbraw/zinc/21/79/29/178217929.db2.gz FRAIWMDRSSZQFX-QMMMGPOBSA-N 0 0 241.312 2.624 20 5 BFBDRN Cc1cc(Sc2nccn2C)ccc1[N+](=O)[O-] ZINC000301069321 178219729 /nfs/dbraw/zinc/21/97/29/178219729.db2.gz FBTRDPYJHMKORH-UHFFFAOYSA-N 0 0 249.295 2.788 20 5 BFBDRN Cc1cc([N+](=O)[O-])cnc1NC1CCCC1 ZINC000052812167 178274097 /nfs/dbraw/zinc/27/40/97/178274097.db2.gz BZTZDLSXCAOUBH-UHFFFAOYSA-N 0 0 221.260 2.653 20 5 BFBDRN Cc1cc([N+](=O)[O-])cnc1NCc1ccccc1 ZINC000052812189 178274591 /nfs/dbraw/zinc/27/45/91/178274591.db2.gz BKFREPONSPMWBL-UHFFFAOYSA-N 0 0 243.266 2.910 20 5 BFBDRN Cc1cc([N+](=O)[O-])ccc1NCC1=CCCOC1 ZINC000288178346 178272865 /nfs/dbraw/zinc/27/28/65/178272865.db2.gz DUAFDHQWUYKOMV-UHFFFAOYSA-N 0 0 248.282 2.662 20 5 BFBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)C1CC1 ZINC000162891455 178272971 /nfs/dbraw/zinc/27/29/71/178272971.db2.gz JEFGOLJRDSPMAY-UHFFFAOYSA-N 0 0 249.270 2.529 20 5 BFBDRN Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC[C@H](C)C1 ZINC000133248249 178275304 /nfs/dbraw/zinc/27/53/04/178275304.db2.gz WUVUITCBIOPODA-WPRPVWTQSA-N 0 0 235.287 2.899 20 5 BFBDRN Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC[C@@H](F)C1 ZINC000340975039 178275383 /nfs/dbraw/zinc/27/53/83/178275383.db2.gz RGOYZZKWGCCJBG-BDAKNGLRSA-N 0 0 239.250 2.601 20 5 BFBDRN CCC(CC)CNc1ncccc1[N+](=O)[O-] ZINC000122609287 168366355 /nfs/dbraw/zinc/36/63/55/168366355.db2.gz FZGXTXJGVBJRHF-UHFFFAOYSA-N 0 0 223.276 2.838 20 5 BFBDRN O=[N+]([O-])c1cccc(F)c1N[C@H]1C[C@H]1C(F)F ZINC000343804724 136231186 /nfs/dbraw/zinc/23/11/86/136231186.db2.gz GXXOWWFPOGESIH-VDTYLAMSSA-N 0 0 246.188 2.799 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](C)C2)n1 ZINC000178146814 398265513 /nfs/dbraw/zinc/26/55/13/398265513.db2.gz IQRMOOBZHLCWHP-SECBINFHSA-N 0 0 235.287 2.535 20 5 BFBDRN CO[C@@H](C)CCNc1ccc([N+](=O)[O-])cc1C ZINC000266967730 398269617 /nfs/dbraw/zinc/26/96/17/398269617.db2.gz KKWVUBBRLAFRRG-JTQLQIEISA-N 0 0 238.287 2.740 20 5 BFBDRN CCCCNc1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000301349848 398270729 /nfs/dbraw/zinc/27/07/29/398270729.db2.gz MFLGTTULGYVAEW-UHFFFAOYSA-N 0 0 242.250 2.955 20 5 BFBDRN CC[C@@H]1C[C@H]1CNc1nc(C)ccc1[N+](=O)[O-] ZINC000387801825 398289018 /nfs/dbraw/zinc/28/90/18/398289018.db2.gz IGHZMCLOVFYILV-ZJUUUORDSA-N 0 0 235.287 2.756 20 5 BFBDRN CCCCOCCOc1cccc([N+](=O)[O-])c1 ZINC000097506420 342805824 /nfs/dbraw/zinc/80/58/24/342805824.db2.gz VCRPYRSRAWUOKO-UHFFFAOYSA-N 0 0 239.271 2.790 20 5 BFBDRN Cc1cnc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000403676573 398292378 /nfs/dbraw/zinc/29/23/78/398292378.db2.gz VSGDQDUEHZAPRP-GMTAPVOTSA-N 0 0 247.298 2.899 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C)C2)c1 ZINC000447061963 201706512 /nfs/dbraw/zinc/70/65/12/201706512.db2.gz VYSVIFUZXXFTSI-JTQLQIEISA-N 0 0 220.272 2.749 20 5 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221.260 2.509 20 5 BFBDRN CC[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000598233594 348916654 /nfs/dbraw/zinc/91/66/54/348916654.db2.gz RBHQIBKPUAAHCB-LLVKDONJSA-N 0 0 248.282 2.513 20 5 BFBDRN Cc1nc(N2CC(CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000598643732 349008463 /nfs/dbraw/zinc/00/84/63/349008463.db2.gz GMMSLOIADIIBOZ-UHFFFAOYSA-N 0 0 247.298 2.535 20 5 BFBDRN CCC(F)(F)CNCc1cccc([N+](=O)[O-])c1 ZINC000598996077 349073423 /nfs/dbraw/zinc/07/34/23/349073423.db2.gz BFUXFLFUFHXIAW-UHFFFAOYSA-N 0 0 244.241 2.730 20 5 BFBDRN C/C=C/CNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000599171304 349110898 /nfs/dbraw/zinc/11/08/98/349110898.db2.gz DLQDPWNBBWWPCU-ONEGZZNKSA-N 0 0 234.255 2.785 20 5 BFBDRN CCc1cnn(Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000402002349 349110972 /nfs/dbraw/zinc/11/09/72/349110972.db2.gz DZTVIEGQXZVNAI-UHFFFAOYSA-N 0 0 249.245 2.541 20 5 BFBDRN C/C=C/CNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000599171498 349111096 /nfs/dbraw/zinc/11/10/96/349111096.db2.gz IVAAHBLEBNZSSP-SNAWJCMRSA-N 0 0 221.260 2.595 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20 5 BFBDRN Cc1nc(NCCC2=CCCC2)ncc1[N+](=O)[O-] ZINC000297394520 180017314 /nfs/dbraw/zinc/01/73/14/180017314.db2.gz FJJVBUICIGTOBP-UHFFFAOYSA-N 0 0 248.286 2.606 20 5 BFBDRN Cc1nc(N[C@@H]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000161556717 180022717 /nfs/dbraw/zinc/02/27/17/180022717.db2.gz DQASRJBTYJTENI-SNVBAGLBSA-N 0 0 233.271 2.819 20 5 BFBDRN Cc1nc(N[C@@H]2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000133236075 180023680 /nfs/dbraw/zinc/02/36/80/180023680.db2.gz DXUQHFQFQPQRSI-PSASIEDQSA-N 0 0 235.287 2.899 20 5 BFBDRN Cc1nc(N[C@H]2CC[C@H](F)C2)ccc1[N+](=O)[O-] ZINC000340855272 180024957 /nfs/dbraw/zinc/02/49/57/180024957.db2.gz VWFAGXBPTPYHTB-IUCAKERBSA-N 0 0 239.250 2.601 20 5 BFBDRN Cc1nc(N[C@H]2C=CCCC2)ccc1[N+](=O)[O-] ZINC000301684538 180025519 /nfs/dbraw/zinc/02/55/19/180025519.db2.gz WKRBDNOCHJLIRC-JTQLQIEISA-N 0 0 233.271 2.819 20 5 BFBDRN Cc1nc(S[C@@H](C)C(C)C)ncc1[N+](=O)[O-] ZINC000297210275 180032981 /nfs/dbraw/zinc/03/29/81/180032981.db2.gz RYNOHVSTSHYLMC-QMMMGPOBSA-N 0 0 241.316 2.830 20 5 BFBDRN Cc1ncc([N+](=O)[O-])n1C[C@@H]1CCC(F)(F)C1 ZINC000336257755 180175970 /nfs/dbraw/zinc/17/59/70/180175970.db2.gz TXQMBSZIWJNWHA-MRVPVSSYSA-N 0 0 245.229 2.535 20 5 BFBDRN Cc1ccc([N+](=O)[O-])cc1Oc1ccnc(C)n1 ZINC000360974026 180207829 /nfs/dbraw/zinc/20/78/29/180207829.db2.gz MLHMBGSSMSSYJH-UHFFFAOYSA-N 0 0 245.238 2.794 20 5 BFBDRN CC[C@@H](Nc1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000324484683 350301234 /nfs/dbraw/zinc/30/12/34/350301234.db2.gz PFBPGKUSTRVQLQ-SNVBAGLBSA-N 0 0 221.260 2.590 20 5 BFBDRN CC(C)[C@@H](Nc1cccnc1[N+](=O)[O-])C1CC1 ZINC000324582269 350308201 /nfs/dbraw/zinc/30/82/01/350308201.db2.gz XNVLDUMLCSORGC-LLVKDONJSA-N 0 0 235.287 2.836 20 5 BFBDRN O=[N+]([O-])c1ncccc1N[C@@H](C1CC1)C1CCC1 ZINC000324924989 350311932 /nfs/dbraw/zinc/31/19/32/350311932.db2.gz SSBQOBBISHEWDX-GFCCVEGCSA-N 0 0 247.298 2.980 20 5 BFBDRN Cc1nn(C/C=C\c2ccccc2)cc1[N+](=O)[O-] ZINC000354919078 180383950 /nfs/dbraw/zinc/38/39/50/180383950.db2.gz LPYQPIUXYMBSQF-YVMONPNESA-N 0 0 243.266 2.813 20 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O=[N+]([O-])c1ncccc1OCCCCCF ZINC000340637903 187528045 /nfs/dbraw/zinc/52/80/45/187528045.db2.gz CZXTXYPVRXVZFU-UHFFFAOYSA-N 0 0 228.223 2.508 20 5 BFBDRN Cc1cccnc1NCc1ccc([N+](=O)[O-])cc1 ZINC000049942932 187744481 /nfs/dbraw/zinc/74/44/81/187744481.db2.gz WKKQEHQDAHOCPC-UHFFFAOYSA-N 0 0 243.266 2.910 20 5 BFBDRN O=[N+]([O-])c1c[nH]c(-c2csc(C3CC3)n2)c1 ZINC000336556443 187881386 /nfs/dbraw/zinc/88/13/86/187881386.db2.gz JFMYWRPDYJISSY-UHFFFAOYSA-N 0 0 235.268 2.924 20 5 BFBDRN C[C@H](Nc1ccc([N+](=O)[O-])s1)C1CC1 ZINC000307742319 353123728 /nfs/dbraw/zinc/12/37/28/353123728.db2.gz KFUNMTUXFGPFRB-LURJTMIESA-N 0 0 212.274 2.867 20 5 BFBDRN O=[N+]([O-])c1ncccc1OCCc1ccccc1 ZINC000071810190 188086584 /nfs/dbraw/zinc/08/65/84/188086584.db2.gz KWPWRSKFJIZEJF-UHFFFAOYSA-N 0 0 244.250 2.611 20 5 BFBDRN Cc1ccc(CNc2ncccc2[N+](=O)[O-])s1 ZINC000048337190 353156672 /nfs/dbraw/zinc/15/66/72/353156672.db2.gz VBVCFZDCJZUREM-UHFFFAOYSA-N 0 0 249.295 2.972 20 5 BFBDRN Cc1cc(N[C@@H]2CC[C@H]3C[C@H]3C2)ncc1[N+](=O)[O-] ZINC000403581345 353169546 /nfs/dbraw/zinc/16/95/46/353169546.db2.gz BWYWZOBXSMLGDP-GARJFASQSA-N 0 0 247.298 2.899 20 5 BFBDRN Cc1cc(N[C@@H]2CCC[C@H]2C)ncc1[N+](=O)[O-] ZINC000073000417 188097298 /nfs/dbraw/zinc/09/72/98/188097298.db2.gz RECPRZLENBRDKR-PSASIEDQSA-N 0 0 235.287 2.899 20 5 BFBDRN O=[N+]([O-])c1ccc(NCCc2ccco2)s1 ZINC000048999471 353163272 /nfs/dbraw/zinc/16/32/72/353163272.db2.gz WRWXSEQUKACYKK-UHFFFAOYSA-N 0 0 238.268 2.904 20 5 BFBDRN CC[C@H]1CCC[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000362562760 188086804 /nfs/dbraw/zinc/08/68/04/188086804.db2.gz VQEMEFHULFHXQU-VHSXEESVSA-N 0 0 235.287 2.980 20 5 BFBDRN O=[N+]([O-])c1c(F)cccc1NCC1CCC1 ZINC000037420841 188151656 /nfs/dbraw/zinc/15/16/56/188151656.db2.gz RJNRGJPXXBLDPE-UHFFFAOYSA-N 0 0 224.235 2.946 20 5 BFBDRN CC(C)=CC(=O)N(C)c1cccc([N+](=O)[O-])c1 ZINC000158375695 188158372 /nfs/dbraw/zinc/15/83/72/188158372.db2.gz UAUZYPVJXLLTGG-UHFFFAOYSA-N 0 0 234.255 2.524 20 5 BFBDRN CC(C)[C@@H]1C[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000184802308 188169264 /nfs/dbraw/zinc/16/92/64/188169264.db2.gz LTPGCFVPBZSXEE-RYUDHWBXSA-N 0 0 248.282 2.825 20 5 BFBDRN Cc1ccc(NCC(F)F)c([N+](=O)[O-])c1 ZINC000118907410 188171456 /nfs/dbraw/zinc/17/14/56/188171456.db2.gz VMGNKWZTBHSTSI-UHFFFAOYSA-N 0 0 216.187 2.580 20 5 BFBDRN CC(C)=CCCNc1ncccc1[N+](=O)[O-] ZINC000276590052 188202344 /nfs/dbraw/zinc/20/23/44/188202344.db2.gz BTRGOHHAMFYCJB-UHFFFAOYSA-N 0 0 221.260 2.758 20 5 BFBDRN C[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000252955340 353313125 /nfs/dbraw/zinc/31/31/25/353313125.db2.gz IPEVXCLLKZDFHZ-MGCOHNPYSA-N 0 0 235.287 2.980 20 5 BFBDRN COc1cccc(N[C@@H]2CC[C@@H]2C)c1[N+](=O)[O-] ZINC000383487645 353397520 /nfs/dbraw/zinc/39/75/20/353397520.db2.gz UXTQJDXFAHJDSA-DTWKUNHWSA-N 0 0 236.271 2.814 20 5 BFBDRN CC1(C)OCC[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000296207101 188450056 /nfs/dbraw/zinc/45/00/56/188450056.db2.gz FRZGLOANVGAVOL-LLVKDONJSA-N 0 0 236.271 2.574 20 5 BFBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000129608286 353825631 /nfs/dbraw/zinc/82/56/31/353825631.db2.gz MNEYNOKURZMTRR-SECBINFHSA-N 0 0 248.282 2.513 20 5 BFBDRN COCCCCOc1cc([N+](=O)[O-])ccc1C ZINC000285011321 188564548 /nfs/dbraw/zinc/56/45/48/188564548.db2.gz DHIITEDTTBSRHO-UHFFFAOYSA-N 0 0 239.271 2.709 20 5 BFBDRN CCC1(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000296047511 188572753 /nfs/dbraw/zinc/57/27/53/188572753.db2.gz YYFGKVJDZLXEAZ-UHFFFAOYSA-N 0 0 248.282 2.576 20 5 BFBDRN COc1ccc(OC[C@@H]2C[C@H]2C)c([N+](=O)[O-])c1 ZINC000600508650 363355737 /nfs/dbraw/zinc/35/57/37/363355737.db2.gz BROLNIIQYAJQHP-BDAKNGLRSA-N 0 0 237.255 2.638 20 5 BFBDRN CCC[C@@H]1C[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000074235278 354343852 /nfs/dbraw/zinc/34/38/52/354343852.db2.gz UMZWVTDRKOVTAB-BXKDBHETSA-N 0 0 248.282 2.970 20 5 BFBDRN CCN(c1ncc([N+](=O)[O-])cc1Cl)C(C)C ZINC000122664407 363389008 /nfs/dbraw/zinc/38/90/08/363389008.db2.gz BZXKLCGEMINVQZ-UHFFFAOYSA-N 0 0 243.694 2.878 20 5 BFBDRN O=[N+]([O-])c1ccccc1N[C@@H]1CC12CCOCC2 ZINC000387045023 363389410 /nfs/dbraw/zinc/38/94/10/363389410.db2.gz SHKQVGDWLXZCQE-GFCCVEGCSA-N 0 0 248.282 2.576 20 5 BFBDRN CCC[C@@H]1C[C@H]1Nc1ncc([N+](=O)[O-])cc1F ZINC000413162945 191360454 /nfs/dbraw/zinc/36/04/54/191360454.db2.gz DMXBADZXHCJEAY-GMSGAONNSA-N 0 0 239.250 2.729 20 5 BFBDRN O=[N+]([O-])c1cnc(NC2CC2)c(C(F)(F)F)c1 ZINC000413025019 191343727 /nfs/dbraw/zinc/34/37/27/191343727.db2.gz PDSGECKTPWWZPU-UHFFFAOYSA-N 0 0 247.176 2.583 20 5 BFBDRN CC(C)CCCNc1ncc([N+](=O)[O-])cc1F ZINC000413046067 191350577 /nfs/dbraw/zinc/35/05/77/191350577.db2.gz PFGXNVIZNDIIOI-UHFFFAOYSA-N 0 0 241.266 2.977 20 5 BFBDRN CC[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1F ZINC000413113214 191354472 /nfs/dbraw/zinc/35/44/72/191354472.db2.gz CLJOBRBSETZWEA-MRVPVSSYSA-N 0 0 239.250 2.508 20 5 BFBDRN Cc1cc(N[C@H]2CCC[C@@H]3C[C@@H]32)ncc1[N+](=O)[O-] ZINC000413464945 191382854 /nfs/dbraw/zinc/38/28/54/191382854.db2.gz TYRRIOCQGATJDG-VWYCJHECSA-N 0 0 247.298 2.899 20 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BFBDRN CC(C)CNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000450212099 202099276 /nfs/dbraw/zinc/09/92/76/202099276.db2.gz RJRYIXZBNLFVBF-UHFFFAOYSA-N 0 0 245.282 2.633 20 5 BFBDRN C[C@H](CC(C)(C)C)Nc1ncc([N+](=O)[O-])cn1 ZINC000384602472 356670161 /nfs/dbraw/zinc/67/01/61/356670161.db2.gz GALIICRXMMRRQT-MRVPVSSYSA-N 0 0 238.291 2.621 20 5 BFBDRN Cc1cnc(N[C@H](C)CC2CC2)c([N+](=O)[O-])c1 ZINC000090692385 363562184 /nfs/dbraw/zinc/56/21/84/363562184.db2.gz RMJLOTGPDDEIIZ-SECBINFHSA-N 0 0 235.287 2.899 20 5 BFBDRN CC[C@H](Nc1ncc([N+](=O)[O-])s1)C(F)F ZINC000450568645 202200675 /nfs/dbraw/zinc/20/06/75/202200675.db2.gz STUSGQDNGTUXKZ-BYPYZUCNSA-N 0 0 237.231 2.507 20 5 BFBDRN Cc1cc(NC(CF)CF)c(F)cc1[N+](=O)[O-] ZINC000450597384 202206263 /nfs/dbraw/zinc/20/62/63/202206263.db2.gz YWMQUQLAOHBVCB-UHFFFAOYSA-N 0 0 248.204 2.762 20 5 BFBDRN C[C@H]1CCC(=O)[C@@H](Oc2cccc([N+](=O)[O-])c2)C1 ZINC000450621677 202213093 /nfs/dbraw/zinc/21/30/93/202213093.db2.gz IQLBEMXJQQDLJD-ZANVPECISA-N 0 0 249.266 2.731 20 5 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Cc1cnc(N[C@H]2CCC[C@@H]2F)c([N+](=O)[O-])c1 ZINC000338837878 383835511 /nfs/dbraw/zinc/83/55/11/383835511.db2.gz WUZBVUSLTNFCQC-IUCAKERBSA-N 0 0 239.250 2.601 20 5 BFBDRN O=[N+]([O-])c1cccc(F)c1S[C@H]1CCOC1 ZINC000334444978 383880350 /nfs/dbraw/zinc/88/03/50/383880350.db2.gz FRLAZHRZIHLRNO-ZETCQYMHSA-N 0 0 243.259 2.615 20 5 BFBDRN CC(=O)c1cc([N+](=O)[O-])ccc1NC1CCC1 ZINC000287261377 383874034 /nfs/dbraw/zinc/87/40/34/383874034.db2.gz KDJQYOOQXFSQDX-UHFFFAOYSA-N 0 0 234.255 2.762 20 5 BFBDRN O=[N+]([O-])c1cccc(NCCc2cscn2)c1 ZINC000111628096 383874156 /nfs/dbraw/zinc/87/41/56/383874156.db2.gz RXJPAMHVGSWUDQ-UHFFFAOYSA-N 0 0 249.295 2.706 20 5 BFBDRN CC(C)(C)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000098068307 383875448 /nfs/dbraw/zinc/87/54/48/383875448.db2.gz FOJKDMSOTHSDLJ-UHFFFAOYSA-N 0 0 237.259 2.515 20 5 BFBDRN CC(C)CC(=O)N(C)c1cccc([N+](=O)[O-])c1 ZINC000157995284 383877618 /nfs/dbraw/zinc/87/76/18/383877618.db2.gz SDJNXBKKAFBOOZ-UHFFFAOYSA-N 0 0 236.271 2.604 20 5 BFBDRN CCCCCNc1cccnc1[N+](=O)[O-] ZINC000156934724 383877578 /nfs/dbraw/zinc/87/75/78/383877578.db2.gz VMROXAVAUMTOQJ-UHFFFAOYSA-N 0 0 209.249 2.592 20 5 BFBDRN Cc1c(OCC(C)C)cccc1[N+](=O)[O-] ZINC000339641032 383998612 /nfs/dbraw/zinc/99/86/12/383998612.db2.gz RPFSQOHPCRMOJY-UHFFFAOYSA-N 0 0 209.245 2.938 20 5 BFBDRN CC1(C)CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000112695704 383941330 /nfs/dbraw/zinc/94/13/30/383941330.db2.gz DNODIZRSYYESOX-UHFFFAOYSA-N 0 0 235.287 2.616 20 5 BFBDRN CCC[C@@H](CC)Nc1ccc([N+](=O)[O-])cn1 ZINC000050164790 383949961 /nfs/dbraw/zinc/94/99/61/383949961.db2.gz PXGVNXZJGPZNHD-SECBINFHSA-N 0 0 223.276 2.980 20 5 BFBDRN Cc1cc(N2CC3(CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000334792648 383954316 /nfs/dbraw/zinc/95/43/16/383954316.db2.gz IFIMLZHMRIBWQI-UHFFFAOYSA-N 0 0 236.246 2.643 20 5 BFBDRN CCOCCNc1c(Cl)cccc1[N+](=O)[O-] ZINC000050351966 384006527 /nfs/dbraw/zinc/00/65/27/384006527.db2.gz BOCNEBHNPULQPO-UHFFFAOYSA-N 0 0 244.678 2.697 20 5 BFBDRN O=[N+]([O-])c1cnn(C[C@@H]2CCCC(F)(F)C2)c1 ZINC000335048488 384015252 /nfs/dbraw/zinc/01/52/52/384015252.db2.gz BKBUAZCZOLEOFY-MRVPVSSYSA-N 0 0 245.229 2.617 20 5 BFBDRN C[C@@H]1CC[C@@H]1Nc1c(F)cccc1[N+](=O)[O-] ZINC000309408797 384094261 /nfs/dbraw/zinc/09/42/61/384094261.db2.gz IJRJBRWESSQHQX-APPZFPTMSA-N 0 0 224.235 2.944 20 5 BFBDRN O=[N+]([O-])c1cc(F)ccc1N[C@@H]1C[C@@H]1C1CC1 ZINC000362365389 384199032 /nfs/dbraw/zinc/19/90/32/384199032.db2.gz NRJFOQKFNBMQJJ-MWLCHTKSSA-N 0 0 236.246 2.944 20 5 BFBDRN CC/C=C(\C)C(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000177666273 384200590 /nfs/dbraw/zinc/20/05/90/384200590.db2.gz ZGIHYRVGAYEXJW-VMPITWQZSA-N 0 0 249.270 2.593 20 5 BFBDRN Cc1cnc(N[C@@H]2CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000336646062 384244814 /nfs/dbraw/zinc/24/48/14/384244814.db2.gz DPBJHSYFOULDGB-DTWKUNHWSA-N 0 0 221.260 2.509 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@@H]2CC[C@H](F)C2)cc1 ZINC000336686649 384248068 /nfs/dbraw/zinc/24/80/68/384248068.db2.gz TTYKOMRUJMLJFC-WCBMZHEXSA-N 0 0 224.235 2.897 20 5 BFBDRN O=[N+]([O-])c1cc(F)ccc1NCCCCF ZINC000336680738 384250682 /nfs/dbraw/zinc/25/06/82/384250682.db2.gz XQTOWHOKVTZFQQ-UHFFFAOYSA-N 0 0 230.214 2.896 20 5 BFBDRN CC/C=C(\C)C(=O)N(C)c1cccc([N+](=O)[O-])c1 ZINC000179025193 384257625 /nfs/dbraw/zinc/25/76/25/384257625.db2.gz DWWKLGXUCITOKS-UXBLZVDNSA-N 0 0 248.282 2.914 20 5 BFBDRN O=[N+]([O-])c1cccnc1N[C@@H]1CC2CCC1CC2 ZINC000336796267 384283266 /nfs/dbraw/zinc/28/32/66/384283266.db2.gz QZUGQNNVJNVDAV-VQXHTEKXSA-N 0 0 247.298 2.980 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2[C@@H]3CCC[C@@H]32)n1 ZINC000362839548 384349604 /nfs/dbraw/zinc/34/96/04/384349604.db2.gz DZZFFNIYKQQUFN-URLYPYJESA-N 0 0 247.298 2.817 20 5 BFBDRN CCSCCNc1cccc([N+](=O)[O-])c1 ZINC000308800865 384371552 /nfs/dbraw/zinc/37/15/52/384371552.db2.gz KVLDDKWDDWUOIL-UHFFFAOYSA-N 0 0 226.301 2.760 20 5 BFBDRN O=[N+]([O-])c1cccnc1NCCCC(F)(F)F ZINC000097987354 384404975 /nfs/dbraw/zinc/40/49/75/384404975.db2.gz KGSYBOOTXNLYJH-UHFFFAOYSA-N 0 0 249.192 2.744 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](C)C2CC2)n1 ZINC000359102886 384376275 /nfs/dbraw/zinc/37/62/75/384376275.db2.gz IEEHRNWPISMIQC-VIFPVBQESA-N 0 0 235.287 2.817 20 5 BFBDRN O=[N+]([O-])c1ccnn1C[C@@H]1C[C@H]1c1ccccc1 ZINC000359167545 384377466 /nfs/dbraw/zinc/37/74/66/384377466.db2.gz AARXPOXTMUVEBI-RYUDHWBXSA-N 0 0 243.266 2.595 20 5 BFBDRN Cc1ccnc(NCCC2(C)CC2)c1[N+](=O)[O-] ZINC000359811536 384438004 /nfs/dbraw/zinc/43/80/04/384438004.db2.gz FUAKJIFAZUDRIC-UHFFFAOYSA-N 0 0 235.287 2.900 20 5 BFBDRN CO[C@H](C)[C@H](C)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000161248647 384475521 /nfs/dbraw/zinc/47/55/21/384475521.db2.gz PBNFSDPIZBGNCY-VHSXEESVSA-N 0 0 238.287 2.739 20 5 BFBDRN CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](C)C1 ZINC000061569830 384500888 /nfs/dbraw/zinc/50/08/88/384500888.db2.gz CPOWXWHOKGEALK-SECBINFHSA-N 0 0 248.282 2.644 20 5 BFBDRN CC(C)(C)CNc1ccc(N)cc1[N+](=O)[O-] ZINC000286472037 384488692 /nfs/dbraw/zinc/48/86/92/384488692.db2.gz TXTOMWNXYDCYKC-UHFFFAOYSA-N 0 0 223.276 2.635 20 5 BFBDRN O=[N+]([O-])c1cc(Cl)ccc1N1CC[C@H](F)C1 ZINC000309261715 384491744 /nfs/dbraw/zinc/49/17/44/384491744.db2.gz VRBNKYGLYXXUHO-QMMMGPOBSA-N 0 0 244.653 2.796 20 5 BFBDRN Cc1cnc(NCc2ccccc2[N+](=O)[O-])s1 ZINC000083380852 384515205 /nfs/dbraw/zinc/51/52/05/384515205.db2.gz WQQDGVNMPARMEU-UHFFFAOYSA-N 0 0 249.295 2.972 20 5 BFBDRN O=[N+]([O-])c1ccc(NCCCC(F)(F)F)nc1 ZINC000097987417 384581457 /nfs/dbraw/zinc/58/14/57/384581457.db2.gz XEVBASWYEZENSI-UHFFFAOYSA-N 0 0 249.192 2.744 20 5 BFBDRN CCCC(=O)COc1cccc(C)c1[N+](=O)[O-] ZINC000050185492 384604818 /nfs/dbraw/zinc/60/48/18/384604818.db2.gz VUCSBCZEXHFREL-UHFFFAOYSA-N 0 0 237.255 2.651 20 5 BFBDRN CC[C@@H](F)CNc1cc(F)cc([N+](=O)[O-])c1 ZINC000310013012 384689146 /nfs/dbraw/zinc/68/91/46/384689146.db2.gz JLDBFAOPYVFXRV-SSDOTTSWSA-N 0 0 230.214 2.894 20 5 BFBDRN C[C@@H](S[C@@H](C)CO)c1ccccc1[N+](=O)[O-] ZINC000361422243 384697401 /nfs/dbraw/zinc/69/74/01/384697401.db2.gz ZBOABOGFRSGDEE-DTWKUNHWSA-N 0 0 241.312 2.770 20 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ZINC000598642336 385041122 /nfs/dbraw/zinc/04/11/22/385041122.db2.gz GMLPJIRBCDTHRS-UHFFFAOYSA-N 0 0 239.250 2.587 20 5 BFBDRN Cc1cnc(NCC2CC(C)C2)c([N+](=O)[O-])c1 ZINC000598642297 385043471 /nfs/dbraw/zinc/04/34/71/385043471.db2.gz FBKMIPZQXYIPAQ-UHFFFAOYSA-N 0 0 235.287 2.756 20 5 BFBDRN COc1cccc([N+](=O)[O-])c1NCCCCF ZINC000516583494 385119895 /nfs/dbraw/zinc/11/98/95/385119895.db2.gz CRBRGPPWCYVNSC-UHFFFAOYSA-N 0 0 242.250 2.765 20 5 BFBDRN O=C(Oc1cccc([N+](=O)[O-])c1)[C@@H]1CC=CCC1 ZINC000072508425 385197294 /nfs/dbraw/zinc/19/72/94/385197294.db2.gz LDAAEFLUVHFXEI-SNVBAGLBSA-N 0 0 247.250 2.857 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N2C[C@H](C)[C@@H](C)[C@@H]2C)n1 ZINC000516750752 385148665 /nfs/dbraw/zinc/14/86/65/385148665.db2.gz PSVNTLVDDFERMI-GDPRMGEGSA-N 0 0 249.314 2.779 20 5 BFBDRN Cc1cnc(O[C@H]2C=CCCC2)c([N+](=O)[O-])c1 ZINC000176703616 385148533 /nfs/dbraw/zinc/14/85/33/385148533.db2.gz CNHWYAQWDQZUAB-JTQLQIEISA-N 0 0 234.255 2.786 20 5 BFBDRN O=[N+]([O-])c1cccnc1NCCC1(F)CCC1 ZINC000340942333 385208297 /nfs/dbraw/zinc/20/82/97/385208297.db2.gz DOLCEKVECCINOO-UHFFFAOYSA-N 0 0 239.250 2.684 20 5 BFBDRN C[C@H](F)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000340465092 385233821 /nfs/dbraw/zinc/23/38/21/385233821.db2.gz UXCWAECKXDSODN-UWVGGRQHSA-N 0 0 240.278 2.994 20 5 BFBDRN CC[C@H](CNc1cccc(F)c1[N+](=O)[O-])OC ZINC000290617396 385504401 /nfs/dbraw/zinc/50/44/01/385504401.db2.gz GCGPMKGSAWTREH-MRVPVSSYSA-N 0 0 242.250 2.571 20 5 BFBDRN O=[N+]([O-])c1cc(F)ccc1N1CCC[C@H]1CF ZINC000293939957 385518473 /nfs/dbraw/zinc/51/84/73/385518473.db2.gz FUOWBPJTUQMRBA-VIFPVBQESA-N 0 0 242.225 2.672 20 5 BFBDRN Cc1cc(N[C@@H]2CCC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000073000415 385598255 /nfs/dbraw/zinc/59/82/55/385598255.db2.gz RECPRZLENBRDKR-WCBMZHEXSA-N 0 0 235.287 2.899 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CCC(C)CC2)n1 ZINC000408172253 385605608 /nfs/dbraw/zinc/60/56/08/385605608.db2.gz UPMYAGDASXPCEL-UHFFFAOYSA-N 0 0 249.314 2.843 20 5 BFBDRN CC[C@H]1CCN1c1ccccc1[N+](=O)[O-] ZINC000292265459 385632449 /nfs/dbraw/zinc/63/24/49/385632449.db2.gz LCIFXXAXUIQVRI-VIFPVBQESA-N 0 0 206.245 2.584 20 5 BFBDRN CCSCc1ccc(F)cc1[N+](=O)[O-] ZINC000596329212 385648579 /nfs/dbraw/zinc/64/85/79/385648579.db2.gz JTNSPDCTNXRTMP-UHFFFAOYSA-N 0 0 215.249 2.987 20 5 BFBDRN Cc1ncc([N+](=O)[O-])n1CC12CCC(CC1)C2 ZINC000408455192 385675086 /nfs/dbraw/zinc/67/50/86/385675086.db2.gz CPVQWPJXOCUDBE-UHFFFAOYSA-N 0 0 235.287 2.680 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N[C@H](C)c2cn[nH]c2)c1 ZINC000229871445 385684054 /nfs/dbraw/zinc/68/40/54/385684054.db2.gz DDASNXIQXXZAIW-SECBINFHSA-N 0 0 246.270 2.799 20 5 BFBDRN COc1cccc([N+](=O)[O-])c1NC[C@@H]1C[C@H]1C ZINC000572303828 385692433 /nfs/dbraw/zinc/69/24/33/385692433.db2.gz YMBWMEABGNHLHT-BDAKNGLRSA-N 0 0 236.271 2.671 20 5 BFBDRN O=[N+]([O-])c1ccccc1CN1CCC[C@H]1CF ZINC000292983553 385728701 /nfs/dbraw/zinc/72/87/01/385728701.db2.gz HORZZQQQCRTMCL-NSHDSACASA-N 0 0 238.262 2.529 20 5 BFBDRN C[C@H](NC(=O)C1(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000341770488 385776402 /nfs/dbraw/zinc/77/64/02/385776402.db2.gz CZHBJUISCACMRO-VIFPVBQESA-N 0 0 248.282 2.572 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]3C[C@H]3C2)c(F)c1 ZINC000397828248 385719318 /nfs/dbraw/zinc/71/93/18/385719318.db2.gz QNCUINWFWHZJOI-AYMMMOKOSA-N 0 0 236.246 2.944 20 5 BFBDRN CC[C@@H](C)CON=c1[nH]cc(C)cc1[N+](=O)[O-] ZINC000291632537 385902137 /nfs/dbraw/zinc/90/21/37/385902137.db2.gz ANOFTUFFLPPFSQ-MRVPVSSYSA-N 0 0 239.275 2.688 20 5 BFBDRN O=[N+]([O-])c1cccc(SC2CCOCC2)c1 ZINC000335049885 385946404 /nfs/dbraw/zinc/94/64/04/385946404.db2.gz HAOIHYNDAICRKF-UHFFFAOYSA-N 0 0 239.296 2.866 20 5 BFBDRN Cc1cc(N(CC(C)C)C2CC2)ncc1[N+](=O)[O-] ZINC000074739647 386036953 /nfs/dbraw/zinc/03/69/53/386036953.db2.gz DYPLSUIBYSKPNW-UHFFFAOYSA-N 0 0 249.314 2.923 20 5 BFBDRN Cc1nc(COc2cccc(C)c2[N+](=O)[O-])co1 ZINC000572472549 386047531 /nfs/dbraw/zinc/04/75/31/386047531.db2.gz CQTVJRJUQHODHC-UHFFFAOYSA-N 0 0 248.238 2.779 20 5 BFBDRN O=[N+]([O-])c1ccsc1NCCc1ccco1 ZINC000309520313 386047892 /nfs/dbraw/zinc/04/78/92/386047892.db2.gz TZLXEFQMYYOBMM-UHFFFAOYSA-N 0 0 238.268 2.904 20 5 BFBDRN C[C@@H](CCCCO)Nc1ccccc1[N+](=O)[O-] ZINC000295623234 386211399 /nfs/dbraw/zinc/21/13/99/386211399.db2.gz AHAKMZUGHUXDEV-JTQLQIEISA-N 0 0 238.287 2.558 20 5 BFBDRN C[C@H]1CC[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000345069668 386477500 /nfs/dbraw/zinc/47/75/00/386477500.db2.gz MUPXSGFNZXBYAO-UWVGGRQHSA-N 0 0 248.282 2.970 20 5 BFBDRN CC(C)n1cc(Nc2ncccc2[N+](=O)[O-])cn1 ZINC000061683680 386479274 /nfs/dbraw/zinc/47/92/74/386479274.db2.gz SYWJBLYTKGVKRD-UHFFFAOYSA-N 0 0 247.258 2.511 20 5 BFBDRN CCc1ccc(-c2nc(C)no2)cc1[N+](=O)[O-] ZINC000267021314 386486725 /nfs/dbraw/zinc/48/67/25/386486725.db2.gz CGCJQBDPDQMTBU-UHFFFAOYSA-N 0 0 233.227 2.516 20 5 BFBDRN O=[N+]([O-])c1ccc(NCC23CCC(CC2)C3)nc1 ZINC000339703580 386523984 /nfs/dbraw/zinc/52/39/84/386523984.db2.gz SFZNYRHJMPKGCF-UHFFFAOYSA-N 0 0 247.298 2.982 20 5 BFBDRN CCOCCOc1ccc(CC)cc1[N+](=O)[O-] ZINC000265242775 386594628 /nfs/dbraw/zinc/59/46/28/386594628.db2.gz JJAGVKPBORLXAT-UHFFFAOYSA-N 0 0 239.271 2.573 20 5 BFBDRN C[C@@H]1C[C@H](C)N(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000524843180 259692551 /nfs/dbraw/zinc/69/25/51/259692551.db2.gz XBZLAFOPVVYJFC-BDAKNGLRSA-N 0 0 238.262 2.969 20 5 BFBDRN CC[C@H](NCc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000449362907 386811542 /nfs/dbraw/zinc/81/15/42/386811542.db2.gz ODTZERZMNJUXJL-JTQLQIEISA-N 0 0 244.241 2.728 20 5 BFBDRN Cc1cn(C/C=C\c2ccccc2)nc1[N+](=O)[O-] ZINC000439206871 386829886 /nfs/dbraw/zinc/82/98/86/386829886.db2.gz DWNOVZZOWKSELX-YVMONPNESA-N 0 0 243.266 2.813 20 5 BFBDRN COc1ccc([N+](=O)[O-])c(N2CCC[C@@H]2C)c1 ZINC000267625880 387026861 /nfs/dbraw/zinc/02/68/61/387026861.db2.gz ISRCEVRXEMXTIV-VIFPVBQESA-N 0 0 236.271 2.592 20 5 BFBDRN COCCSCc1csc([N+](=O)[O-])c1 ZINC000439701698 387072552 /nfs/dbraw/zinc/07/25/52/387072552.db2.gz AQAVEEWAGVKOMI-UHFFFAOYSA-N 0 0 233.314 2.536 20 5 BFBDRN CO[C@H](C)CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000224329286 387125898 /nfs/dbraw/zinc/12/58/98/387125898.db2.gz XBWORESZPCNOAR-SSDOTTSWSA-N 0 0 244.678 2.695 20 5 BFBDRN CO[C@@H](C)CNc1c(Cl)cccc1[N+](=O)[O-] ZINC000224322005 387126215 /nfs/dbraw/zinc/12/62/15/387126215.db2.gz FMVDVGCMXZGKTC-ZETCQYMHSA-N 0 0 244.678 2.695 20 5 BFBDRN O=[N+]([O-])c1cc(F)ccc1N1CCC12CCC2 ZINC000359764836 387160754 /nfs/dbraw/zinc/16/07/54/387160754.db2.gz JLKNKBRQFQSHCO-UHFFFAOYSA-N 0 0 236.246 2.867 20 5 BFBDRN O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CC1)CCC2 ZINC000192590030 387204933 /nfs/dbraw/zinc/20/49/33/387204933.db2.gz LQDWJCVIFCLUAD-ZDUSSCGKSA-N 0 0 232.283 2.724 20 5 BFBDRN CC[C@H](F)COc1c(F)cccc1[N+](=O)[O-] ZINC000440582983 387343454 /nfs/dbraw/zinc/34/34/54/387343454.db2.gz QOVAWPJGUYFCCZ-ZETCQYMHSA-N 0 0 231.198 2.861 20 5 BFBDRN Cc1cnc(CNc2ccc([N+](=O)[O-])cc2C)o1 ZINC000192733329 387387154 /nfs/dbraw/zinc/38/71/54/387387154.db2.gz ZZKIQMYZCSQUMY-UHFFFAOYSA-N 0 0 247.254 2.812 20 5 BFBDRN Cc1cnc(CNc2c(C)cccc2[N+](=O)[O-])o1 ZINC000192733810 387395322 /nfs/dbraw/zinc/39/53/22/387395322.db2.gz RWGYDTHUQVJPQT-UHFFFAOYSA-N 0 0 247.254 2.812 20 5 BFBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCC1 ZINC000223985659 387515644 /nfs/dbraw/zinc/51/56/44/387515644.db2.gz QQTMSGFEHSOLOF-UHFFFAOYSA-N 0 0 249.270 2.577 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(NCC2CCC2)n1 ZINC000088036116 387525800 /nfs/dbraw/zinc/52/58/00/387525800.db2.gz SYKRCVWGJUPDHP-UHFFFAOYSA-N 0 0 221.260 2.510 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(S[C@@H](C)[C@H](C)O)c1 ZINC000088726469 387653719 /nfs/dbraw/zinc/65/37/19/387653719.db2.gz JNQQCAVZLCBEFW-IUCAKERBSA-N 0 0 241.312 2.765 20 5 BFBDRN CC(C)=CCOc1ccc([N+](=O)[O-])cc1C=O ZINC000035412710 387711088 /nfs/dbraw/zinc/71/10/88/387711088.db2.gz YINSCOIBXAEJMG-UHFFFAOYSA-N 0 0 235.239 2.752 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2C[C@H]2C2CC2)n1 ZINC000362377512 177877140 /nfs/dbraw/zinc/87/71/40/177877140.db2.gz CFOMWYFICGFIDW-WDEREUQCSA-N 0 0 247.298 2.817 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(OCC2CCC2)n1 ZINC000354534083 177876998 /nfs/dbraw/zinc/87/69/98/177876998.db2.gz FQXYNTNKYHUCOT-UHFFFAOYSA-N 0 0 236.271 2.786 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(NC2CCC2)n1 ZINC000309909416 177876651 /nfs/dbraw/zinc/87/66/51/177876651.db2.gz LTMKIDGARDWHEZ-UHFFFAOYSA-N 0 0 221.260 2.571 20 5 BFBDRN Cc1cnc(N[C@H]2C=CCCC2)c([N+](=O)[O-])c1 ZINC000160713155 387815627 /nfs/dbraw/zinc/81/56/27/387815627.db2.gz VJSIGTIWTPFBHA-JTQLQIEISA-N 0 0 233.271 2.819 20 5 BFBDRN CC1(C)OCC[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000296392851 387956833 /nfs/dbraw/zinc/95/68/33/387956833.db2.gz VAVZSMNHEIFMLT-NSHDSACASA-N 0 0 236.271 2.574 20 5 BFBDRN CC(C)=CCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000046599051 388034528 /nfs/dbraw/zinc/03/45/28/388034528.db2.gz PVEXISFLNYNZFY-UHFFFAOYSA-N 0 0 234.299 2.993 20 5 BFBDRN CCCCNc1cc([N+](=O)[O-])ccc1OC ZINC000037058369 388085815 /nfs/dbraw/zinc/08/58/15/388085815.db2.gz SXJSHLPYAOQRNX-UHFFFAOYSA-N 0 0 224.260 2.815 20 5 BFBDRN CSCCCNc1ccc([N+](=O)[O-])cc1 ZINC000037061454 388097021 /nfs/dbraw/zinc/09/70/21/388097021.db2.gz XRLQQWBCFCBKBR-UHFFFAOYSA-N 0 0 226.301 2.760 20 5 BFBDRN CCCN(CC)c1ccc([N+](=O)[O-])s1 ZINC000589582091 388115806 /nfs/dbraw/zinc/11/58/06/388115806.db2.gz OGQXDGAJYPOMMP-UHFFFAOYSA-N 0 0 214.290 2.893 20 5 BFBDRN C[C@H]1SCC[C@H]1Nc1ccc([N+](=O)[O-])s1 ZINC000592003192 388146001 /nfs/dbraw/zinc/14/60/01/388146001.db2.gz WTUORKHEGGHUKV-RNFRBKRXSA-N 0 0 244.341 2.962 20 5 BFBDRN CO[C@H](C)CCNc1cc(C)sc1[N+](=O)[O-] ZINC000596109693 388404084 /nfs/dbraw/zinc/40/40/84/388404084.db2.gz SZTDARQDKPRYFX-SSDOTTSWSA-N 0 0 244.316 2.802 20 5 BFBDRN CO[C@@H](C)CCNc1cc(C)sc1[N+](=O)[O-] ZINC000596109694 388404273 /nfs/dbraw/zinc/40/42/73/388404273.db2.gz SZTDARQDKPRYFX-ZETCQYMHSA-N 0 0 244.316 2.802 20 5 BFBDRN CC(C)CCSCCn1cc([N+](=O)[O-])cn1 ZINC000162226632 388348774 /nfs/dbraw/zinc/34/87/74/388348774.db2.gz TWKGCIVVIDILIO-UHFFFAOYSA-N 0 0 243.332 2.571 20 5 BFBDRN CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000094728368 388354514 /nfs/dbraw/zinc/35/45/14/388354514.db2.gz LJDHTWUPNLFJAR-UHFFFAOYSA-N 0 0 229.239 2.699 20 5 BFBDRN C[C@@H]1CN(c2ccccc2[N+](=O)[O-])CCS1 ZINC000171609113 388404813 /nfs/dbraw/zinc/40/48/13/388404813.db2.gz INTRSLLVXUFQMZ-SECBINFHSA-N 0 0 238.312 2.537 20 5 BFBDRN CC(C)(O)CSc1ccc([N+](=O)[O-])cc1F ZINC000193510136 388364016 /nfs/dbraw/zinc/36/40/16/388364016.db2.gz UEFFPZGHVPUTEH-UHFFFAOYSA-N 0 0 245.275 2.597 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@H]2CCO[C@@H]2C2CC2)cc1 ZINC000230308524 388365834 /nfs/dbraw/zinc/36/58/34/388365834.db2.gz OXPLLRBSCPIIMB-QWHCGFSZSA-N 0 0 248.282 2.574 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCO[C@@H]2C2CC2)cc1 ZINC000230308519 388366272 /nfs/dbraw/zinc/36/62/72/388366272.db2.gz OXPLLRBSCPIIMB-CHWSQXEVSA-N 0 0 248.282 2.574 20 5 BFBDRN CCN(C(=O)c1ccc([N+](=O)[O-])s1)C(C)C ZINC000193546702 388370350 /nfs/dbraw/zinc/37/03/50/388370350.db2.gz RNBFBOMIUIQRFJ-UHFFFAOYSA-N 0 0 242.300 2.527 20 5 BFBDRN Cc1cc(N(C)Cc2ccon2)ccc1[N+](=O)[O-] ZINC000271381829 388383503 /nfs/dbraw/zinc/38/35/03/388383503.db2.gz XLGMDRSZFDVRHP-UHFFFAOYSA-N 0 0 247.254 2.528 20 5 BFBDRN Cc1ccc(NC(=O)C[C@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000354987805 388384114 /nfs/dbraw/zinc/38/41/14/388384114.db2.gz ITNSBUOPAPXZQN-VHSXEESVSA-N 0 0 248.282 2.888 20 5 BFBDRN CC[C@H]1CC[C@@H](C)N1c1ccc([N+](=O)[O-])cn1 ZINC000271453175 388389454 /nfs/dbraw/zinc/38/94/54/388389454.db2.gz QBCJEMKVEOBRNM-ZJUUUORDSA-N 0 0 235.287 2.757 20 5 BFBDRN Cc1cnc(N(C)[C@@H](C)C2CCC2)c([N+](=O)[O-])c1 ZINC000356796776 388390595 /nfs/dbraw/zinc/39/05/95/388390595.db2.gz OYZPKNYRGCASCD-JTQLQIEISA-N 0 0 249.314 2.923 20 5 BFBDRN CC[C@H]1CC[C@@H](C)N1c1ccc([N+](=O)[O-])nc1 ZINC000357266465 388391748 /nfs/dbraw/zinc/39/17/48/388391748.db2.gz HZKDZQAAAOZLGO-ZJUUUORDSA-N 0 0 235.287 2.757 20 5 BFBDRN O=[N+]([O-])c1ccccc1CN1CCC=C(F)C1 ZINC000271684771 388398557 /nfs/dbraw/zinc/39/85/57/388398557.db2.gz ZYCILAQNZZQMDF-UHFFFAOYSA-N 0 0 236.246 2.654 20 5 BFBDRN CC(=O)[C@H](C)SCc1ccc([N+](=O)[O-])cc1 ZINC000175198422 388446326 /nfs/dbraw/zinc/44/63/26/388446326.db2.gz IAJKSCQSAZONGU-VIFPVBQESA-N 0 0 239.296 2.806 20 5 BFBDRN CC(C)C1(CNc2ncc([N+](=O)[O-])s2)CC1 ZINC000193823788 388457820 /nfs/dbraw/zinc/45/78/20/388457820.db2.gz MFFPBJHAHSXCPM-UHFFFAOYSA-N 0 0 241.316 2.899 20 5 BFBDRN O=[N+]([O-])c1cnc(NC[C@@H]2CC=CCC2)s1 ZINC000195511145 388475306 /nfs/dbraw/zinc/47/53/06/388475306.db2.gz LTUGVYPBIXMMPS-MRVPVSSYSA-N 0 0 239.300 2.820 20 5 BFBDRN Cc1cc(N[C@H](C)C[C@H](C)O)c([N+](=O)[O-])s1 ZINC000596190753 388408101 /nfs/dbraw/zinc/40/81/01/388408101.db2.gz YDGJQXUKFJOIDW-RQJHMYQMSA-N 0 0 244.316 2.536 20 5 BFBDRN CSCCCSc1ncccc1[N+](=O)[O-] ZINC000172919448 388411481 /nfs/dbraw/zinc/41/14/81/388411481.db2.gz UEAMUIKDRNXRNF-UHFFFAOYSA-N 0 0 244.341 2.835 20 5 BFBDRN Cc1cc(C(=O)N2CCC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000173159657 388414252 /nfs/dbraw/zinc/41/42/52/388414252.db2.gz RPVIMPWNDPPONU-JTQLQIEISA-N 0 0 248.282 2.528 20 5 BFBDRN CCOCCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000041058407 388431209 /nfs/dbraw/zinc/43/12/09/388431209.db2.gz RVCMOFMPHHYALW-UHFFFAOYSA-N 0 0 244.678 2.697 20 5 BFBDRN Cc1ccc(N2C[C@H](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000301465939 388590137 /nfs/dbraw/zinc/59/01/37/388590137.db2.gz HPGJNXNVNNPLOD-PHIMTYICSA-N 0 0 234.299 2.995 20 5 BFBDRN Cc1ccnc(NCCC2CCC2)c1[N+](=O)[O-] ZINC000122974022 388591573 /nfs/dbraw/zinc/59/15/73/388591573.db2.gz WYMSZEGFVQNYKT-UHFFFAOYSA-N 0 0 235.287 2.900 20 5 BFBDRN O=[N+]([O-])c1ccc(CS[C@H]2CCOC2)cc1 ZINC000298332519 388579568 /nfs/dbraw/zinc/57/95/68/388579568.db2.gz NTZAGOYIBPRBSV-NSHDSACASA-N 0 0 239.296 2.617 20 5 BFBDRN CC[C@@H](COc1ccc([N+](=O)[O-])c(C)c1)OC ZINC000416899845 388672375 /nfs/dbraw/zinc/67/23/75/388672375.db2.gz HBNPZFYASGXHIU-JTQLQIEISA-N 0 0 239.271 2.707 20 5 BFBDRN CC[C@@H](C)N(C)c1ccc([N+](=O)[O-])cc1F ZINC000301613223 388639375 /nfs/dbraw/zinc/63/93/75/388639375.db2.gz HABZNDYCIAYNMF-MRVPVSSYSA-N 0 0 226.251 2.969 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CCC3(CCC3)C2)cc1 ZINC000301645046 388654101 /nfs/dbraw/zinc/65/41/01/388654101.db2.gz OYNHOBDMEMZEDV-UHFFFAOYSA-N 0 0 232.283 2.975 20 5 BFBDRN Cc1c(NC(=O)C(C)(C)F)cccc1[N+](=O)[O-] ZINC000092825589 388736792 /nfs/dbraw/zinc/73/67/92/388736792.db2.gz AMXMWRLPXPSFGU-UHFFFAOYSA-N 0 0 240.234 2.590 20 5 BFBDRN O=[N+]([O-])c1ccccc1SC[C@@H]1CCCO1 ZINC000276970911 388744785 /nfs/dbraw/zinc/74/47/85/388744785.db2.gz WUXVQECSLGTYNC-VIFPVBQESA-N 0 0 239.296 2.866 20 5 BFBDRN Cc1ccc(C[N@H+]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000124320389 388745729 /nfs/dbraw/zinc/74/57/29/388745729.db2.gz UNIFURFBLHQVCY-NSHDSACASA-N 0 0 234.299 2.888 20 5 BFBDRN O=[N+]([O-])c1ccc(NC2CC(F)(F)C2)c(F)c1 ZINC000277254497 388746580 /nfs/dbraw/zinc/74/65/80/388746580.db2.gz VZLKTFXVEULIHC-UHFFFAOYSA-N 0 0 246.188 2.944 20 5 BFBDRN O=[N+]([O-])c1ccccc1/C=C/CN1CC2(CC2)C1 ZINC000449370993 388748624 /nfs/dbraw/zinc/74/86/24/388748624.db2.gz PDNJTZIPUKTIFC-HWKANZROSA-N 0 0 244.294 2.704 20 5 BFBDRN C[C@@H](S[C@@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC000079096871 388692880 /nfs/dbraw/zinc/69/28/80/388692880.db2.gz KDCMCKNDKAFPOM-DTWKUNHWSA-N 0 0 241.312 2.770 20 5 BFBDRN O=[N+]([O-])c1cc(F)c(N[C@H]2CC23CC3)c(F)c1 ZINC000425279091 388701892 /nfs/dbraw/zinc/70/18/92/388701892.db2.gz ZXPZHNHRZRIFLN-VIFPVBQESA-N 0 0 240.209 2.837 20 5 BFBDRN Cc1cc(N2[C@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000530378936 388712975 /nfs/dbraw/zinc/71/29/75/388712975.db2.gz IFYRLIZKFWJGGM-AOOOYVTPSA-N 0 0 220.272 2.890 20 5 BFBDRN O=[N+]([O-])c1ccc(O[C@H]2C=CCCC2)cc1CO ZINC000428084879 388720039 /nfs/dbraw/zinc/72/00/39/388720039.db2.gz QBWSHFOWEGKGNY-NSHDSACASA-N 0 0 249.266 2.575 20 5 BFBDRN O=[N+]([O-])c1ccc(CN2CCCC2)c(Cl)c1 ZINC000118302172 388728899 /nfs/dbraw/zinc/72/88/99/388728899.db2.gz WVJSTKTTZDBMDR-UHFFFAOYSA-N 0 0 240.690 2.844 20 5 BFBDRN Cc1ccnc(NCc2ccsc2)c1[N+](=O)[O-] ZINC000070496390 388729344 /nfs/dbraw/zinc/72/93/44/388729344.db2.gz MMKBHBQWTIARBP-UHFFFAOYSA-N 0 0 249.295 2.972 20 5 BFBDRN Cc1ccnc(N[C@H]2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000070496399 388730171 /nfs/dbraw/zinc/73/01/71/388730171.db2.gz CLPCAFHJJXYJPB-WPRPVWTQSA-N 0 0 235.287 2.899 20 5 BFBDRN CCSCCOc1ccc([N+](=O)[O-])cc1F ZINC000118612328 388730853 /nfs/dbraw/zinc/73/08/53/388730853.db2.gz GAHDDCIBVGPZLV-UHFFFAOYSA-N 0 0 245.275 2.866 20 5 BFBDRN CC[C@H]1CC[C@@H](C)N1c1ncc([N+](=O)[O-])s1 ZINC000281920164 388811118 /nfs/dbraw/zinc/81/11/18/388811118.db2.gz NXZBLFICWLHZDB-SFYZADRCSA-N 0 0 241.316 2.819 20 5 BFBDRN Cc1cn(C[C@@H](C)CC(C)C)nc1[N+](=O)[O-] ZINC000282154742 388812670 /nfs/dbraw/zinc/81/26/70/388812670.db2.gz CHAPSWJIFGJJHM-VIFPVBQESA-N 0 0 225.292 2.782 20 5 BFBDRN CO[C@@H](C)[C@@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000161173960 388778528 /nfs/dbraw/zinc/77/85/28/388778528.db2.gz DMDOETUDLLMFEH-SFYZADRCSA-N 0 0 242.250 2.569 20 5 BFBDRN Cc1nc(NCCCC2CC2)ccc1[N+](=O)[O-] ZINC000125346608 388781430 /nfs/dbraw/zinc/78/14/30/388781430.db2.gz HTRCMUCUIFBGQQ-UHFFFAOYSA-N 0 0 235.287 2.900 20 5 BFBDRN Cc1nc(NCc2ccoc2)ccc1[N+](=O)[O-] ZINC000125333155 388782427 /nfs/dbraw/zinc/78/24/27/388782427.db2.gz XGVOWKWFLWZRLB-UHFFFAOYSA-N 0 0 233.227 2.503 20 5 BFBDRN O=[N+]([O-])c1ccc(SCC2CCC2)nc1 ZINC000332481320 388789308 /nfs/dbraw/zinc/78/93/08/388789308.db2.gz VEHAAVLMTBPFJK-UHFFFAOYSA-N 0 0 224.285 2.882 20 5 BFBDRN CCN(CC(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000302160047 388839117 /nfs/dbraw/zinc/83/91/17/388839117.db2.gz XWBXVLWLCRJIHE-UHFFFAOYSA-N 0 0 248.204 2.825 20 5 BFBDRN C[C@H](CCC1CC1)Nc1ccc([N+](=O)[O-])cn1 ZINC000302207236 388840109 /nfs/dbraw/zinc/84/01/09/388840109.db2.gz ADXPVVPDOSPYFR-SECBINFHSA-N 0 0 235.287 2.980 20 5 BFBDRN CO[C@H](C)[C@H](C)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000161194980 388857432 /nfs/dbraw/zinc/85/74/32/388857432.db2.gz MVUNDEQIVLAXNG-VHSXEESVSA-N 0 0 238.287 2.739 20 5 BFBDRN Cc1cc(-c2nc(C3CC3)no2)cc([N+](=O)[O-])c1 ZINC000265012161 177691275 /nfs/dbraw/zinc/69/12/75/177691275.db2.gz MGRHAXOEXSHYTI-UHFFFAOYSA-N 0 0 245.238 2.831 20 5 BFBDRN CCCCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000302489198 388846518 /nfs/dbraw/zinc/84/65/18/388846518.db2.gz YNYYKYJOTVORDA-UHFFFAOYSA-N 0 0 235.287 2.775 20 5 BFBDRN Cc1c(OC(=O)/C=C/C2CC2)cccc1[N+](=O)[O-] ZINC000266665723 177624561 /nfs/dbraw/zinc/62/45/61/177624561.db2.gz RCSDAIHKIZJBFY-BQYQJAHWSA-N 0 0 247.250 2.775 20 5 BFBDRN O=[N+]([O-])c1cc(F)c(N2CCCCC2)c(F)c1 ZINC000269653147 132304982 /nfs/dbraw/zinc/30/49/82/132304982.db2.gz RAUJCQVQUXSYJV-UHFFFAOYSA-N 0 0 242.225 2.863 20 5 BFBDRN C/C(=C/c1ccc([N+](=O)[O-])cc1)c1cnccn1 ZINC000180382119 533381095 /nfs/dbraw/zinc/38/10/95/533381095.db2.gz DTTLPILWIUHSMM-NTMALXAHSA-N 0 0 241.250 2.945 20 5 BFBDRN Cc1cc([N+](=O)[O-])cnc1N1C[C@H](C)C[C@@H](C)C1 ZINC000263991516 132178275 /nfs/dbraw/zinc/17/82/75/132178275.db2.gz VNVVVBHWHAQNSK-NXEZZACHSA-N 0 0 249.314 2.781 20 5 BFBDRN C[C@H]1CCN(c2ncccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000265875029 132183530 /nfs/dbraw/zinc/18/35/30/132183530.db2.gz WUHFSMIMBBGIRG-UWVGGRQHSA-N 0 0 235.287 2.615 20 5 BFBDRN Cc1cnc(N2CC[C@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000266233874 132185118 /nfs/dbraw/zinc/18/51/18/132185118.db2.gz VHELXMOYRQZRIM-ONGXEEELSA-N 0 0 249.314 2.923 20 5 BFBDRN C[C@@H]1[C@@H](C)CCCN1c1ncccc1[N+](=O)[O-] ZINC000266252160 132185845 /nfs/dbraw/zinc/18/58/45/132185845.db2.gz NIISFWYRVOXJEX-VHSXEESVSA-N 0 0 235.287 2.615 20 5 BFBDRN Cc1cnc(N2C[C@H](C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000266421363 132187129 /nfs/dbraw/zinc/18/71/29/132187129.db2.gz ANWXMZCCDIMYQE-KOLCDFICSA-N 0 0 249.314 2.923 20 5 BFBDRN Cc1ccnc(N2CC[C@H](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000270942253 132198193 /nfs/dbraw/zinc/19/81/93/132198193.db2.gz KCDYQOIIEWXHIN-GXSJLCMTSA-N 0 0 249.314 2.781 20 5 BFBDRN Cc1nc(N2CCCC3(CC3)C2)ccc1[N+](=O)[O-] ZINC000274509558 132203205 /nfs/dbraw/zinc/20/32/05/132203205.db2.gz UHIMDLBTZFVEQE-UHFFFAOYSA-N 0 0 247.298 2.679 20 5 BFBDRN COc1ccc([N+](=O)[O-])c(N2CCC=C(C)C2)c1 ZINC000280500926 132210437 /nfs/dbraw/zinc/21/04/37/132210437.db2.gz CBFFVVOPFXRRDT-UHFFFAOYSA-N 0 0 248.282 2.760 20 5 BFBDRN C[C@@H]1CCN(c2ccc(N)cc2[N+](=O)[O-])C[C@H]1C ZINC000286517585 132215228 /nfs/dbraw/zinc/21/52/28/132215228.db2.gz OAPDNHOUIPJKNG-NXEZZACHSA-N 0 0 249.314 2.659 20 5 BFBDRN CC[C@@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000298461200 132222458 /nfs/dbraw/zinc/22/24/58/132222458.db2.gz MEFSZOFIRASOSN-SNVBAGLBSA-N 0 0 235.287 2.616 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N2CC(C)=C[C@@H](C)C2)n1 ZINC000362364273 132280861 /nfs/dbraw/zinc/28/08/61/132280861.db2.gz HORNPORIFUEITA-SECBINFHSA-N 0 0 247.298 2.701 20 5 BFBDRN CC[C@@H]1CCCCN1c1ncccc1[N+](=O)[O-] ZINC000072672582 132397119 /nfs/dbraw/zinc/39/71/19/132397119.db2.gz IMUNBBXGTVOMKK-SNVBAGLBSA-N 0 0 235.287 2.759 20 5 BFBDRN CCc1noc(/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000345474457 133769557 /nfs/dbraw/zinc/76/95/57/133769557.db2.gz CVDYUDBBLZZVHG-FPLPWBNLSA-N 0 0 245.238 2.711 20 5 BFBDRN CC[C@@H]1CCN1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000335958083 134023652 /nfs/dbraw/zinc/02/36/52/134023652.db2.gz OTTMXOVOAVWTAE-SNVBAGLBSA-N 0 0 248.282 2.528 20 5 BFBDRN O=[N+]([O-])c1ccc(Sc2ncco2)cc1 ZINC000336183330 134120281 /nfs/dbraw/zinc/12/02/81/134120281.db2.gz CIEJAERXMDVPPP-UHFFFAOYSA-N 0 0 222.225 2.734 20 5 BFBDRN Cc1nn(C/C=C/c2ccccc2)cc1[N+](=O)[O-] ZINC000181834211 134339854 /nfs/dbraw/zinc/33/98/54/134339854.db2.gz LPYQPIUXYMBSQF-VMPITWQZSA-N 0 0 243.266 2.813 20 5 BFBDRN CC[C@H](C)CNc1ncc([N+](=O)[O-])s1 ZINC000226772352 134368916 /nfs/dbraw/zinc/36/89/16/134368916.db2.gz ZMFPTWAGJYRQOW-LURJTMIESA-N 0 0 215.278 2.509 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H]2C)n1 ZINC000408172352 134432370 /nfs/dbraw/zinc/43/23/70/134432370.db2.gz VOUYAYRHASJBSO-SNVBAGLBSA-N 0 0 235.287 2.595 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H](C)[C@@H](C)C2)n1 ZINC000408171370 134432443 /nfs/dbraw/zinc/43/24/43/134432443.db2.gz IJGTYQZETBLTHN-UWVGGRQHSA-N 0 0 249.314 2.699 20 5 BFBDRN C[C@@H]1CC[C@@H](COc2ccccc2[N+](=O)[O-])O1 ZINC000190597904 134561229 /nfs/dbraw/zinc/56/12/29/134561229.db2.gz TWBPGMUGBQWWRI-ZJUUUORDSA-N 0 0 237.255 2.541 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CCCCCO2)c(F)c1 ZINC000408291894 134681520 /nfs/dbraw/zinc/68/15/20/134681520.db2.gz QHSFRRUGQCSJGV-UHFFFAOYSA-N 0 0 240.234 2.656 20 5 BFBDRN C[C@@H]1C[C@@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000136088344 134762510 /nfs/dbraw/zinc/76/25/10/134762510.db2.gz LEDVXIQATWVUBY-HTQZYQBOSA-N 0 0 224.235 2.802 20 5 BFBDRN CC[C@@H](C)N(C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000153945889 134814853 /nfs/dbraw/zinc/81/48/53/134814853.db2.gz JYPVCWVVJUJWEY-SSDOTTSWSA-N 0 0 243.694 2.878 20 5 BFBDRN Cc1cc(NCCC(F)(F)F)ncc1[N+](=O)[O-] ZINC000073000411 134937411 /nfs/dbraw/zinc/93/74/11/134937411.db2.gz RLPVDSDECXAMBB-UHFFFAOYSA-N 0 0 249.192 2.663 20 5 BFBDRN Cc1conc1NCc1ccc([N+](=O)[O-])cc1C ZINC000191563175 134952484 /nfs/dbraw/zinc/95/24/84/134952484.db2.gz WFMYVJXVCCDICP-UHFFFAOYSA-N 0 0 247.254 2.812 20 5 BFBDRN Cc1ccc(OCc2cccc([N+](=O)[O-])c2)nc1 ZINC000077240554 135060072 /nfs/dbraw/zinc/06/00/72/135060072.db2.gz FNHPPZQNDWGEOK-UHFFFAOYSA-N 0 0 244.250 2.877 20 5 BFBDRN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)CS1 ZINC000086935054 135103412 /nfs/dbraw/zinc/10/34/12/135103412.db2.gz SWWNAUJCGGHQCQ-SCZZXKLOSA-N 0 0 238.312 2.901 20 5 BFBDRN Cc1c(OCc2ccccn2)cccc1[N+](=O)[O-] ZINC000078383811 135119574 /nfs/dbraw/zinc/11/95/74/135119574.db2.gz BYMWYLWVZJBEJN-UHFFFAOYSA-N 0 0 244.250 2.877 20 5 BFBDRN O=[N+]([O-])c1cccc(F)c1N1CCC(F)(F)C1 ZINC000342935946 135336821 /nfs/dbraw/zinc/33/68/21/135336821.db2.gz CLFUEZBHMVLHDU-UHFFFAOYSA-N 0 0 246.188 2.579 20 5 BFBDRN O=[N+]([O-])c1ccnn1Cc1ccc(Cl)s1 ZINC000334306844 135349370 /nfs/dbraw/zinc/34/93/70/135349370.db2.gz CYZDWRWJENPGOQ-UHFFFAOYSA-N 0 0 243.675 2.555 20 5 BFBDRN Cc1ncn(Cc2ccc([N+](=O)[O-])cc2F)c1C ZINC000267034485 135364011 /nfs/dbraw/zinc/36/40/11/135364011.db2.gz NITZEYGTKRWHQT-UHFFFAOYSA-N 0 0 249.245 2.596 20 5 BFBDRN COc1ccc([N+](=O)[O-])c(NCc2ccco2)c1 ZINC000096470270 135625916 /nfs/dbraw/zinc/62/59/16/135625916.db2.gz PLBIHRNOLHYOBU-UHFFFAOYSA-N 0 0 248.238 2.809 20 5 BFBDRN Cc1cc([N+](=O)[O-])ccc1N[C@H]1C[C@H]1C(F)F ZINC000343878721 135706745 /nfs/dbraw/zinc/70/67/45/135706745.db2.gz WULFEFCKOJZZHG-SCZZXKLOSA-N 0 0 242.225 2.969 20 5 BFBDRN C[C@@H]1CC[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000345069667 135879681 /nfs/dbraw/zinc/87/96/81/135879681.db2.gz MUPXSGFNZXBYAO-NXEZZACHSA-N 0 0 248.282 2.970 20 5 BFBDRN CC(C)Cn1ccc2cc([N+](=O)[O-])ccc2c1=O ZINC000335341327 136064172 /nfs/dbraw/zinc/06/41/72/136064172.db2.gz HMSZGPZTGRTSJL-UHFFFAOYSA-N 0 0 246.266 2.566 20 5 BFBDRN Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](C2CC2)C1 ZINC000367047021 136112099 /nfs/dbraw/zinc/11/20/99/136112099.db2.gz ZZUYKXRKUHIADE-LLVKDONJSA-N 0 0 247.298 2.535 20 5 BFBDRN CCC[C@@H](CC)Nc1ccncc1[N+](=O)[O-] ZINC000050405870 322850050 /nfs/dbraw/zinc/85/00/50/322850050.db2.gz HLPSVMXKEKYGKM-SECBINFHSA-N 0 0 223.276 2.980 20 5 BFBDRN C[C@@H]1CCCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000063282731 397948293 /nfs/dbraw/zinc/94/82/93/397948293.db2.gz SPQCRNKDEPXPJM-SNVBAGLBSA-N 0 0 235.287 2.616 20 5 BFBDRN CC(C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000264967127 398065479 /nfs/dbraw/zinc/06/54/79/398065479.db2.gz BESHHNZPYDYMTB-UHFFFAOYSA-N 0 0 247.254 2.843 20 5 BFBDRN CC(C)CNc1nc(Cl)ccc1[N+](=O)[O-] ZINC000036925896 167018799 /nfs/dbraw/zinc/01/87/99/167018799.db2.gz CEURVZPCUQOWOW-UHFFFAOYSA-N 0 0 229.667 2.711 20 5 BFBDRN CC(C)OCCCOc1ccccc1[N+](=O)[O-] ZINC000125788226 167225743 /nfs/dbraw/zinc/22/57/43/167225743.db2.gz HMKTVHYBVTWLRN-UHFFFAOYSA-N 0 0 239.271 2.789 20 5 BFBDRN CC(C)OCCNc1cc([N+](=O)[O-])ccc1F ZINC000178306238 167247040 /nfs/dbraw/zinc/24/70/40/167247040.db2.gz UCEDJJWMTDCSMV-UHFFFAOYSA-N 0 0 242.250 2.571 20 5 BFBDRN Cc1ccnc(N2CCC[C@@H](C)CC2)c1[N+](=O)[O-] ZINC000301307191 411131495 /nfs/dbraw/zinc/13/14/95/411131495.db2.gz VLFSTIZDXAUQOE-SNVBAGLBSA-N 0 0 249.314 2.925 20 5 BFBDRN CO[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000231683703 411185389 /nfs/dbraw/zinc/18/53/89/411185389.db2.gz KUIBSWGILPRRQW-ZYHUDNBSSA-N 0 0 236.271 2.574 20 5 BFBDRN CC1(C)CCC[C@H]1CNc1ccncc1[N+](=O)[O-] ZINC000338809728 167912797 /nfs/dbraw/zinc/91/27/97/167912797.db2.gz LLKPQHJVLRBJBD-JTQLQIEISA-N 0 0 249.314 2.650 20 5 BFBDRN CCc1ccc(Oc2ncccn2)c([N+](=O)[O-])c1 ZINC000301306518 411437870 /nfs/dbraw/zinc/43/78/70/411437870.db2.gz VAMXHTYBSXRHFB-UHFFFAOYSA-N 0 0 245.238 2.740 20 5 BFBDRN CCNc1cc(C)nc2c1cccc2[N+](=O)[O-] ZINC000302046193 170171887 /nfs/dbraw/zinc/17/18/87/170171887.db2.gz YFPDBSKFIWAAAS-UHFFFAOYSA-N 0 0 231.255 2.883 20 5 BFBDRN CCOCCCOc1cc(C)ccc1[N+](=O)[O-] ZINC000126133567 170384183 /nfs/dbraw/zinc/38/41/83/170384183.db2.gz QBWWGAOCTJNIFO-UHFFFAOYSA-N 0 0 239.271 2.709 20 5 BFBDRN CC[C@@H](C)[C@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000042417164 170791795 /nfs/dbraw/zinc/79/17/95/170791795.db2.gz VSTOQKGINFKADQ-BDAKNGLRSA-N 0 0 223.276 2.836 20 5 BFBDRN CC[C@@H]1CCC[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000362562757 171003442 /nfs/dbraw/zinc/00/34/42/171003442.db2.gz VQEMEFHULFHXQU-NXEZZACHSA-N 0 0 235.287 2.980 20 5 BFBDRN CC[C@@H]1CCN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000294178420 171021036 /nfs/dbraw/zinc/02/10/36/171021036.db2.gz WOJBLWQSAAIVAJ-SNVBAGLBSA-N 0 0 248.282 2.528 20 5 BFBDRN CC[C@@H]1C[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000280708071 171138007 /nfs/dbraw/zinc/13/80/07/171138007.db2.gz TVGWCDGSMZIKJS-LDYMZIIASA-N 0 0 249.270 2.515 20 5 BFBDRN CC[C@@H]1C[C@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC000227015454 171142561 /nfs/dbraw/zinc/14/25/61/171142561.db2.gz OYHZYPRBWIXPIT-GMSGAONNSA-N 0 0 224.235 2.944 20 5 BFBDRN CC[C@@H]1[C@H](C)CCN1c1ncc([N+](=O)[O-])s1 ZINC000192536752 171161326 /nfs/dbraw/zinc/16/13/26/171161326.db2.gz WQQCJSFNUNFZNT-HTQZYQBOSA-N 0 0 241.316 2.676 20 5 BFBDRN CC[C@H](C)CSCc1c([N+](=O)[O-])ncn1C ZINC000362406013 171293485 /nfs/dbraw/zinc/29/34/85/171293485.db2.gz NAYLYYMJEVOCJB-QMMMGPOBSA-N 0 0 243.332 2.608 20 5 BFBDRN CC[C@H](C)C[C@@H](C)Nc1c([N+](=O)[O-])ncn1C ZINC000115118941 171295868 /nfs/dbraw/zinc/29/58/68/171295868.db2.gz FSRNITITSKPINT-DTWKUNHWSA-N 0 0 240.307 2.565 20 5 BFBDRN CC[C@H](C)NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000108701451 171321384 /nfs/dbraw/zinc/32/13/84/171321384.db2.gz XYJDKJCGBQNWRB-QROTZFDESA-N 0 0 248.282 2.523 20 5 BFBDRN CC[C@H](C)[C@@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000042417163 171367540 /nfs/dbraw/zinc/36/75/40/171367540.db2.gz VSTOQKGINFKADQ-DTWKUNHWSA-N 0 0 223.276 2.836 20 5 BFBDRN CC[C@H](Nc1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000292846693 171552393 /nfs/dbraw/zinc/55/23/93/171552393.db2.gz QXRNBZPKHADDLA-NSHDSACASA-N 0 0 238.287 2.556 20 5 BFBDRN CC[C@H]1C[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000227012971 171680023 /nfs/dbraw/zinc/68/00/23/171680023.db2.gz QUJSDXFJWJSXCG-WCBMZHEXSA-N 0 0 206.245 2.805 20 5 BFBDRN CN(C(=O)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000193633798 172343350 /nfs/dbraw/zinc/34/33/50/172343350.db2.gz UHJNFIGRZSTSJC-UHFFFAOYSA-N 0 0 248.282 2.609 20 5 BFBDRN CN(CC1CCC1)c1ccccc1[N+](=O)[O-] ZINC000301223226 172656522 /nfs/dbraw/zinc/65/65/22/172656522.db2.gz ADPIHAQRWGRIRR-UHFFFAOYSA-N 0 0 220.272 2.831 20 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XZVSLSPHACNTKA-UHFFFAOYSA-N 0 0 236.271 2.513 20 5 BFBDRN C[C@@H](OC(=O)CCF)c1ccccc1[N+](=O)[O-] ZINC000892610978 582929454 /nfs/dbraw/zinc/92/94/54/582929454.db2.gz RARRCTVYDZNAPS-MRVPVSSYSA-N 0 0 241.218 2.559 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CC[C@H]2C(F)F)c(F)c1 ZINC000853650160 588752297 /nfs/dbraw/zinc/75/22/97/588752297.db2.gz MPMPYBVWBGASHC-VIFPVBQESA-N 0 0 246.188 2.578 20 5 BFBDRN CC1(C)CC(Nc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000853975794 588770398 /nfs/dbraw/zinc/77/03/98/588770398.db2.gz HEXFXTRUKVFZRX-UHFFFAOYSA-N 0 0 235.287 2.778 20 5 BFBDRN Cc1ccc(N2CCC[C@H](F)C2)c([N+](=O)[O-])c1 ZINC000804687198 582525942 /nfs/dbraw/zinc/52/59/42/582525942.db2.gz NBGFBHFRMVJLGU-JTQLQIEISA-N 0 0 238.262 2.842 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CCC3(CC3)C2)c(F)c1 ZINC000804688529 582526156 /nfs/dbraw/zinc/52/61/56/582526156.db2.gz LSDIBSAZMYZNPP-UHFFFAOYSA-N 0 0 236.246 2.724 20 5 BFBDRN C[C@H](OC(=O)CCF)c1cccc([N+](=O)[O-])c1 ZINC000892612288 582929230 /nfs/dbraw/zinc/92/92/30/582929230.db2.gz VYDSTZKBSYSLGG-QMMMGPOBSA-N 0 0 241.218 2.559 20 5 BFBDRN CCCCC[C@H](CC)C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814040176 583337259 /nfs/dbraw/zinc/33/72/59/583337259.db2.gz FAEGPKHZRHVYFK-QWRGUYRKSA-N 0 0 245.319 2.801 20 5 BFBDRN CCOCSc1cccc([N+](=O)[O-])c1 ZINC000814764140 583367994 /nfs/dbraw/zinc/36/79/94/583367994.db2.gz SBIVHULALPKJCH-UHFFFAOYSA-N 0 0 213.258 2.681 20 5 BFBDRN Cc1noc(C)c1/C=C/c1ccc([N+](=O)[O-])cn1 ZINC000439512126 583442852 /nfs/dbraw/zinc/44/28/52/583442852.db2.gz KXNWQWPZEJSDJE-GQCTYLIASA-N 0 0 245.238 2.765 20 5 BFBDRN O=[N+]([O-])c1cccnc1N1CC[C@@H]1C1CCCC1 ZINC000897155969 583886249 /nfs/dbraw/zinc/88/62/49/583886249.db2.gz OLWXDVDHTVOXJU-LLVKDONJSA-N 0 0 247.298 2.759 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]3CCC[C@@H]32)cn1 ZINC000897177435 583890438 /nfs/dbraw/zinc/89/04/38/583890438.db2.gz PJIIVXIGCVNBGJ-DVVUODLYSA-N 0 0 233.271 2.590 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@@H]2C[C@@H]3CCC[C@H]23)cn1 ZINC000897177437 583890555 /nfs/dbraw/zinc/89/05/55/583890555.db2.gz PJIIVXIGCVNBGJ-INTQDDNPSA-N 0 0 233.271 2.590 20 5 BFBDRN O=[N+]([O-])c1cnc(N[C@@H]2C[C@H]3CCC[C@@H]32)s1 ZINC000897178680 583890975 /nfs/dbraw/zinc/89/09/75/583890975.db2.gz DFNZVQCXNRNRSV-GJMOJQLCSA-N 0 0 239.300 2.652 20 5 BFBDRN C/C=C/CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872089965 583945989 /nfs/dbraw/zinc/94/59/89/583945989.db2.gz IWDVXRREWTUTHD-NWALNABHSA-N 0 0 238.262 2.961 20 5 BFBDRN C[C@@H]1C[C@@H]1COc1ccc([N+](=O)[O-])c(F)c1F ZINC000863345467 583989102 /nfs/dbraw/zinc/98/91/02/583989102.db2.gz YLZBAXCTDXRVRW-RNFRBKRXSA-N 0 0 243.209 2.908 20 5 BFBDRN C[C@@H](OC(=O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000729590230 584019113 /nfs/dbraw/zinc/01/91/13/584019113.db2.gz WFKJJHWMRPPTPL-MRVPVSSYSA-N 0 0 235.239 2.609 20 5 BFBDRN O=[N+]([O-])CCOc1ccc(C2CCC2)cc1 ZINC000899232617 584183483 /nfs/dbraw/zinc/18/34/83/584183483.db2.gz QTLDTCFBYWFZDA-UHFFFAOYSA-N 0 0 221.256 2.610 20 5 BFBDRN C/C=C/CNc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000858800514 588976806 /nfs/dbraw/zinc/97/68/06/588976806.db2.gz OXAUIZRRESLWEN-ONEGZZNKSA-N 0 0 234.255 2.785 20 5 BFBDRN CCCOC(=O)Oc1ccccc1[N+](=O)[O-] ZINC000858874165 588980635 /nfs/dbraw/zinc/98/06/35/588980635.db2.gz LLTVKFZZUZHMGF-UHFFFAOYSA-N 0 0 225.200 2.520 20 5 BFBDRN CC[C@@H](O)c1cc(-c2ccccc2[N+](=O)[O-])no1 ZINC000901394454 584438075 /nfs/dbraw/zinc/43/80/75/584438075.db2.gz HHMKFCPZQQNVIY-LLVKDONJSA-N 0 0 248.238 2.693 20 5 BFBDRN CCC[C@@H](CC(C)C)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000835454277 584926015 /nfs/dbraw/zinc/92/60/15/584926015.db2.gz IOJYMAINRZSWBE-QWRGUYRKSA-N 0 0 245.319 2.657 20 5 BFBDRN Cc1c(CC(=O)OC2CCC2)cccc1[N+](=O)[O-] ZINC000788084313 585037593 /nfs/dbraw/zinc/03/75/93/585037593.db2.gz FSOPZOUACYXUKP-UHFFFAOYSA-N 0 0 249.266 2.541 20 5 BFBDRN C/C=C(\C)COC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000842843177 585059832 /nfs/dbraw/zinc/05/98/32/585059832.db2.gz CHNBVQNPNBJZST-XCVCLJGOSA-N 0 0 249.266 2.647 20 5 BFBDRN CC[C@@H]1C[C@H]1C(=O)Oc1c(C)cccc1[N+](=O)[O-] ZINC000839311278 585101220 /nfs/dbraw/zinc/10/12/20/585101220.db2.gz IMJYRTXBUKVXIM-NXEZZACHSA-N 0 0 249.266 2.855 20 5 BFBDRN Cc1ccc([N+](=O)[O-])cc1OC(=O)/C=C\C1CC1 ZINC000744035132 585142206 /nfs/dbraw/zinc/14/22/06/585142206.db2.gz HVCHDIFRIZWHEK-ALCCZGGFSA-N 0 0 247.250 2.775 20 5 BFBDRN O=[N+]([O-])c1ccc(Oc2nccs2)cc1 ZINC000746988667 585174094 /nfs/dbraw/zinc/17/40/94/585174094.db2.gz XCOLDEVFXHRETQ-UHFFFAOYSA-N 0 0 222.225 2.844 20 5 BFBDRN CCC[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])o1 ZINC000748103834 585187260 /nfs/dbraw/zinc/18/72/60/585187260.db2.gz ZOIVRKQWDCQEIU-SSDOTTSWSA-N 0 0 227.216 2.533 20 5 BFBDRN CCC1(C(=O)OCc2ccccc2[N+](=O)[O-])CC1 ZINC000750490243 585215858 /nfs/dbraw/zinc/21/58/58/585215858.db2.gz ZZVPJECQQFQCCV-UHFFFAOYSA-N 0 0 249.266 2.828 20 5 BFBDRN Cc1ccc(N2CC(C(F)F)C2)c([N+](=O)[O-])c1 ZINC000754669714 585289170 /nfs/dbraw/zinc/28/91/70/585289170.db2.gz FMPYXCASKHEVPP-UHFFFAOYSA-N 0 0 242.225 2.605 20 5 BFBDRN C/C=C/C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000755023443 585293529 /nfs/dbraw/zinc/29/35/29/585293529.db2.gz AKKMJTWXNGZGND-SNAWJCMRSA-N 0 0 234.255 2.726 20 5 BFBDRN Cc1c(OC(=O)CC2(C)CC2)cccc1[N+](=O)[O-] ZINC000758102359 585349301 /nfs/dbraw/zinc/34/93/01/585349301.db2.gz BVAGRCIEQLBYNA-UHFFFAOYSA-N 0 0 249.266 2.999 20 5 BFBDRN O=C(Oc1cccc([N+](=O)[O-])c1)[C@H]1CC12CCC2 ZINC000759692424 585378615 /nfs/dbraw/zinc/37/86/15/585378615.db2.gz BUJMOKYSXYRSOA-LLVKDONJSA-N 0 0 247.250 2.690 20 5 BFBDRN O=C(Oc1cccc([N+](=O)[O-])c1)[C@@H]1CC12CCC2 ZINC000759692427 585378651 /nfs/dbraw/zinc/37/86/51/585378651.db2.gz BUJMOKYSXYRSOA-NSHDSACASA-N 0 0 247.250 2.690 20 5 BFBDRN C/C=C/C=C\C(=O)Oc1c(C)cccc1[N+](=O)[O-] ZINC000760015760 585384190 /nfs/dbraw/zinc/38/41/90/585384190.db2.gz HTSHYGJZPGLAAE-BEHOXYOFSA-N 0 0 247.250 2.941 20 5 BFBDRN Cc1cccc([N+](=O)[O-])c1OC(=O)[C@H](C)C1CC1 ZINC000760022766 585384515 /nfs/dbraw/zinc/38/45/15/585384515.db2.gz OXDJZRNVOBEBDW-SECBINFHSA-N 0 0 249.266 2.855 20 5 BFBDRN Cc1c(COC(=O)C2(C)CC2)cccc1[N+](=O)[O-] ZINC000761441965 585415909 /nfs/dbraw/zinc/41/59/09/585415909.db2.gz JFWPZAVBLBTWLD-UHFFFAOYSA-N 0 0 249.266 2.747 20 5 BFBDRN CC(C)=C(C)C(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000762337037 585431115 /nfs/dbraw/zinc/43/11/15/585431115.db2.gz KICMBXOXABLXSZ-UHFFFAOYSA-N 0 0 249.270 2.593 20 5 BFBDRN C[C@@H](C(=O)OCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000763403847 585447661 /nfs/dbraw/zinc/44/76/61/585447661.db2.gz GDRXOGGYQLFCFO-SECBINFHSA-N 0 0 249.266 2.652 20 5 BFBDRN CC1(CCOC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000764240578 585462588 /nfs/dbraw/zinc/46/25/88/585462588.db2.gz RVMGFGSWRQAFNL-UHFFFAOYSA-N 0 0 249.266 2.942 20 5 BFBDRN C[C@H](OC(=O)C1(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000764597927 585468580 /nfs/dbraw/zinc/46/85/80/585468580.db2.gz OZRQBCASGAABRZ-VIFPVBQESA-N 0 0 249.266 2.999 20 5 BFBDRN C[C@@H](OC(=O)[C@H]1C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000769296108 585552886 /nfs/dbraw/zinc/55/28/86/585552886.db2.gz ZZBFECLCUVTYQO-NGZCFLSTSA-N 0 0 249.266 2.855 20 5 BFBDRN C[C@H]1CC[C@H](C(=O)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000776285155 585694597 /nfs/dbraw/zinc/69/45/97/585694597.db2.gz MBZFTAFIBXSSRF-UWVGGRQHSA-N 0 0 249.266 2.936 20 5 BFBDRN COCc1cc([N+](=O)[O-])ccc1N1CC=CCC1 ZINC000778592086 585737994 /nfs/dbraw/zinc/73/79/94/585737994.db2.gz UYRWNRFGRNLEGW-UHFFFAOYSA-N 0 0 248.282 2.508 20 5 BFBDRN Cc1nn(Cc2ccc(CF)cc2)cc1[N+](=O)[O-] ZINC000779645982 585758086 /nfs/dbraw/zinc/75/80/86/585758086.db2.gz RJJVKYJSUFHKLO-UHFFFAOYSA-N 0 0 249.245 2.618 20 5 BFBDRN Cc1c(OC(=O)C2=CCC2)cccc1[N+](=O)[O-] ZINC000779856643 585769129 /nfs/dbraw/zinc/76/91/29/585769129.db2.gz ICGOVCBXWVEKEP-UHFFFAOYSA-N 0 0 233.223 2.529 20 5 BFBDRN C[C@@H](OC(=O)[C@@H]1C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000786453175 585891905 /nfs/dbraw/zinc/89/19/05/585891905.db2.gz ZZBFECLCUVTYQO-FXPVBKGRSA-N 0 0 249.266 2.855 20 5 BFBDRN C[C@H]1C[C@H](C)CN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000786559023 585895141 /nfs/dbraw/zinc/89/51/41/585895141.db2.gz DHRJFSRLHVCBFL-UWVGGRQHSA-N 0 0 249.314 2.659 20 5 BFBDRN CC(C)(C)CCOc1ccc(N)c([N+](=O)[O-])c1 ZINC000786864025 585898128 /nfs/dbraw/zinc/89/81/28/585898128.db2.gz KBFMHPBSZDRVNR-UHFFFAOYSA-N 0 0 238.287 2.992 20 5 BFBDRN C[C@@H](COC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000789610106 585946550 /nfs/dbraw/zinc/94/65/50/585946550.db2.gz WXFQNRJVKRMOIG-VIFPVBQESA-N 0 0 249.266 2.798 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(C(=O)OCC2(C)CC2)c1 ZINC000790809981 585969252 /nfs/dbraw/zinc/96/92/52/585969252.db2.gz AOKLHQPMHBDTSY-UHFFFAOYSA-N 0 0 249.266 2.860 20 5 BFBDRN CC(=O)c1ccc(N2[C@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000795195705 586071202 /nfs/dbraw/zinc/07/12/02/586071202.db2.gz YGHUEVYONHQDMO-RKDXNWHRSA-N 0 0 248.282 2.785 20 5 BFBDRN CC1(C)C[C@@H]1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000804451892 586396493 /nfs/dbraw/zinc/39/64/93/586396493.db2.gz ZOZRZDXOPJZTIR-MRVPVSSYSA-N 0 0 235.287 2.635 20 5 BFBDRN CC(C)[C@H](C)CNc1ccc(N)cc1[N+](=O)[O-] ZINC000804487768 586396966 /nfs/dbraw/zinc/39/69/66/586396966.db2.gz XRCZSLYNWRTNIB-SECBINFHSA-N 0 0 237.303 2.881 20 5 BFBDRN CC1CN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000804618259 586403331 /nfs/dbraw/zinc/40/33/31/586403331.db2.gz QVZOCPOTOPVYQK-UHFFFAOYSA-N 0 0 226.663 2.704 20 5 BFBDRN CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1C[C@H]1C ZINC000807940566 586452579 /nfs/dbraw/zinc/45/25/79/586452579.db2.gz XRUHALBOOUJCBO-SCZZXKLOSA-N 0 0 248.282 2.865 20 5 BFBDRN CC/C=C\CCOc1ccc(N)c([N+](=O)[O-])c1 ZINC000808256378 586469048 /nfs/dbraw/zinc/46/90/48/586469048.db2.gz JOQVXCLDXSWBEI-ARJAWSKDSA-N 0 0 236.271 2.912 20 5 BFBDRN C[C@@H](COC(=O)CCC1CCCCC1)[N+](=O)[O-] ZINC000813102385 586591858 /nfs/dbraw/zinc/59/18/58/586591858.db2.gz QUAOSUNKSKHYDH-JTQLQIEISA-N 0 0 243.303 2.555 20 5 BFBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)OC1CC(C)C1 ZINC000813232262 586598036 /nfs/dbraw/zinc/59/80/36/586598036.db2.gz CSHFKTCSLWFGLF-UHFFFAOYSA-N 0 0 249.266 2.859 20 5 BFBDRN CCON(C)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000813602708 586604277 /nfs/dbraw/zinc/60/42/77/586604277.db2.gz SSCPAHMIQAGDJV-UHFFFAOYSA-N 0 0 247.254 2.531 20 5 BFBDRN CC[C@@H]1CCN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000813639795 586605038 /nfs/dbraw/zinc/60/50/38/586605038.db2.gz MFFSJVFQIFHXRZ-SSDOTTSWSA-N 0 0 242.225 2.862 20 5 BFBDRN CCCCC[C@H](C)CC(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814046514 586612756 /nfs/dbraw/zinc/61/27/56/586612756.db2.gz FTRJIVHVUQEUKP-WDEREUQCSA-N 0 0 245.319 2.801 20 5 BFBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@@H](C)CCC(C)(C)C ZINC000814046667 586612994 /nfs/dbraw/zinc/61/29/94/586612994.db2.gz NGRKHEPTGUZUFI-VHSXEESVSA-N 0 0 245.319 2.657 20 5 BFBDRN CCSCOc1ccc([N+](=O)[O-])cc1C ZINC000814755960 586632417 /nfs/dbraw/zinc/63/24/17/586632417.db2.gz MGQLZHWQSHNMJX-UHFFFAOYSA-N 0 0 227.285 2.993 20 5 BFBDRN Cc1c(OC(=O)[C@H]2CC23CC3)cccc1[N+](=O)[O-] ZINC000817428596 586804840 /nfs/dbraw/zinc/80/48/40/586804840.db2.gz PXZCNKQTJOOIRC-SECBINFHSA-N 0 0 247.250 2.609 20 5 BFBDRN C=C=CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000820586593 587056697 /nfs/dbraw/zinc/05/66/97/587056697.db2.gz NCEJLGAQFPYXHE-UHFFFAOYSA-N 0 0 241.250 2.896 20 5 BFBDRN Cc1ncoc1CNc1ccc(C)cc1[N+](=O)[O-] ZINC000820592021 587057188 /nfs/dbraw/zinc/05/71/88/587057188.db2.gz TZOQWKGLHWSTEF-UHFFFAOYSA-N 0 0 247.254 2.812 20 5 BFBDRN C/C=C/CNC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000825008914 587298514 /nfs/dbraw/zinc/29/85/14/587298514.db2.gz DMJQYVUXEOGCTJ-SNAWJCMRSA-N 0 0 248.282 2.518 20 5 BFBDRN Nc1ccc([N+](=O)[O-])c(N[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000826802671 587362822 /nfs/dbraw/zinc/36/28/22/587362822.db2.gz KSKPRLMYBORKND-ATZCPNFKSA-N 0 0 247.298 2.778 20 5 BFBDRN O=[N+]([O-])c1ccc(NC23CCC(CC2)C3)cn1 ZINC000827899782 587409117 /nfs/dbraw/zinc/40/91/17/587409117.db2.gz KKFORXDSAMHRMG-UHFFFAOYSA-N 0 0 233.271 2.734 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CC3(CC3)C2)c(Cl)c1 ZINC000828365427 587438414 /nfs/dbraw/zinc/43/84/14/587438414.db2.gz VRKOZYISJAPLIE-UHFFFAOYSA-N 0 0 238.674 2.848 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CC[C@H]2C2CC2)cc1 ZINC000828610531 587453472 /nfs/dbraw/zinc/45/34/72/587453472.db2.gz KCTFKWYOAWLBRN-LBPRGKRZSA-N 0 0 218.256 2.584 20 5 BFBDRN Nc1ccc([N+](=O)[O-])c(NC[C@@H]2C[C@H]2C2CC2)c1 ZINC000829477120 587499993 /nfs/dbraw/zinc/49/99/93/587499993.db2.gz HRELBHSCCPDYTO-ONGXEEELSA-N 0 0 247.298 2.635 20 5 BFBDRN CCCOC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000830360699 587547367 /nfs/dbraw/zinc/54/73/67/587547367.db2.gz RHQGUZAXYGJINQ-UHFFFAOYSA-N 0 0 241.218 2.609 20 5 BFBDRN CC[C@@H]1C[C@H]1C(=O)Oc1ccc(C)cc1[N+](=O)[O-] ZINC000835070988 587780224 /nfs/dbraw/zinc/78/02/24/587780224.db2.gz MIAPUNGSONDZBM-NXEZZACHSA-N 0 0 249.266 2.855 20 5 BFBDRN CC[C@@H]1C[C@H]1C(=O)Oc1cccc([N+](=O)[O-])c1C ZINC000835072692 587780230 /nfs/dbraw/zinc/78/02/30/587780230.db2.gz IADQQPAYCPHNEF-NXEZZACHSA-N 0 0 249.266 2.855 20 5 BFBDRN C[C@H]1CC[C@H](OC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000835281110 587794252 /nfs/dbraw/zinc/79/42/52/587794252.db2.gz YFZGSOUKDCYCQU-UWVGGRQHSA-N 0 0 243.303 2.554 20 5 BFBDRN CCC[C@H](C)OC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835342029 587797641 /nfs/dbraw/zinc/79/76/41/587797641.db2.gz ZCLIDTMUFCPEMX-VIFPVBQESA-N 0 0 231.292 2.554 20 5 BFBDRN CCC/C=C/COC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835459021 587803586 /nfs/dbraw/zinc/80/35/86/587803586.db2.gz UQEIYKIFVHPMJQ-VOTSOKGWSA-N 0 0 243.303 2.721 20 5 BFBDRN Cc1ccc(COC(=O)[C@@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000835478423 587804201 /nfs/dbraw/zinc/80/42/01/587804201.db2.gz CEVYPDFMLOWLCU-MWLCHTKSSA-N 0 0 249.266 2.602 20 5 BFBDRN Cc1ccc(COC(=O)C2(C)CC2)cc1[N+](=O)[O-] ZINC000835487082 587804764 /nfs/dbraw/zinc/80/47/64/587804764.db2.gz XENJGUSHRQRSQT-UHFFFAOYSA-N 0 0 249.266 2.747 20 5 BFBDRN CCCN(C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000867228854 587864173 /nfs/dbraw/zinc/86/41/73/587864173.db2.gz AKXUQPDGOZDWTC-UHFFFAOYSA-N 0 0 238.243 2.578 20 5 BFBDRN C[C@H](C(=O)Oc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000837320618 587866109 /nfs/dbraw/zinc/86/61/09/587866109.db2.gz VDUKTKJMMVYYGN-VIFPVBQESA-N 0 0 249.266 2.936 20 5 BFBDRN 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BFBDRN Cc1cccc(OCC(=O)C(C)C)c1[N+](=O)[O-] ZINC000092999043 179163661 /nfs/dbraw/zinc/16/36/61/179163661.db2.gz ZVEOQNKGQPZJSO-UHFFFAOYSA-N 0 0 237.255 2.507 20 5 BFBDRN Cc1cccc(CNc2ncccc2[N+](=O)[O-])c1 ZINC000030784442 187371998 /nfs/dbraw/zinc/37/19/98/187371998.db2.gz DBPLZEWUGVPLHT-UHFFFAOYSA-N 0 0 243.266 2.910 20 5 BFBDRN Cc1cccc(CNc2ccc([N+](=O)[O-])cn2)c1 ZINC000030784793 187372084 /nfs/dbraw/zinc/37/20/84/187372084.db2.gz RATRISMNNFDEOQ-UHFFFAOYSA-N 0 0 243.266 2.910 20 5 BFBDRN O=[N+]([O-])c1ccc(Nc2c[nH]cn2)c(Cl)c1 ZINC000582100858 347238133 /nfs/dbraw/zinc/23/81/33/347238133.db2.gz BGEGIRLQENHLMJ-UHFFFAOYSA-N 0 0 238.634 2.715 20 5 BFBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCCCC1 ZINC000070249399 179206024 /nfs/dbraw/zinc/20/60/24/179206024.db2.gz YXXUOXGQHSOXTE-UHFFFAOYSA-N 0 0 248.282 2.529 20 5 BFBDRN Cc1ocnc1CNc1c(C)cccc1[N+](=O)[O-] ZINC000133279128 179206999 /nfs/dbraw/zinc/20/69/99/179206999.db2.gz IUZPGSREDZZYJZ-UHFFFAOYSA-N 0 0 247.254 2.812 20 5 BFBDRN C[C@H](CC(C)(C)O)Nc1ccc([N+](=O)[O-])s1 ZINC000590713013 347499283 /nfs/dbraw/zinc/49/92/83/347499283.db2.gz WVWQBLPKSDPGPQ-SSDOTTSWSA-N 0 0 244.316 2.618 20 5 BFBDRN CC[C@@H]1OCC[C@H]1Nc1ccc([N+](=O)[O-])s1 ZINC000591182483 347625473 /nfs/dbraw/zinc/62/54/73/347625473.db2.gz ODSDVTQYUNCFJO-SFYZADRCSA-N 0 0 242.300 2.636 20 5 BFBDRN C[C@H]1CC[C@@H](CNc2sccc2[N+](=O)[O-])O1 ZINC000591172350 347628543 /nfs/dbraw/zinc/62/85/43/347628543.db2.gz NTDTYCPNTQCOLW-YUMQZZPRSA-N 0 0 242.300 2.636 20 5 BFBDRN Cc1cnc(N2CC(C)(C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000591197169 347629627 /nfs/dbraw/zinc/62/96/27/347629627.db2.gz HCBWZRXLIWDQDH-SNVBAGLBSA-N 0 0 249.314 2.923 20 5 BFBDRN O=[N+]([O-])c1ccc(OCCF)c(Cl)c1 ZINC000198890500 347673637 /nfs/dbraw/zinc/67/36/37/347673637.db2.gz HZWAMZOGFJULBN-UHFFFAOYSA-N 0 0 219.599 2.597 20 5 BFBDRN CN(CCC(C)(C)C)c1ccc([N+](=O)[O-])cn1 ZINC000591971098 347722947 /nfs/dbraw/zinc/72/29/47/347722947.db2.gz UJNQMRPKWIYBLM-UHFFFAOYSA-N 0 0 237.303 2.862 20 5 BFBDRN 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Cc1cc(NC[C@@H]2CCCO2)c([N+](=O)[O-])s1 ZINC000596051935 348433571 /nfs/dbraw/zinc/43/35/71/348433571.db2.gz SYFAVSGFTWWZRX-QMMMGPOBSA-N 0 0 242.300 2.556 20 5 BFBDRN CCOCCCNc1cc(C)sc1[N+](=O)[O-] ZINC000596054843 348433867 /nfs/dbraw/zinc/43/38/67/348433867.db2.gz IEMGKGNCBFGMLN-UHFFFAOYSA-N 0 0 244.316 2.803 20 5 BFBDRN CC1(C)C[C@@H](Oc2ccc([N+](=O)[O-])cc2)CO1 ZINC000596239501 348483816 /nfs/dbraw/zinc/48/38/16/348483816.db2.gz QXPODYZFTKSAFW-LLVKDONJSA-N 0 0 237.255 2.541 20 5 BFBDRN O=[N+]([O-])c1ccsc1N1CC[C@@H]1C(F)F ZINC000596247009 348486860 /nfs/dbraw/zinc/48/68/60/348486860.db2.gz HFBLJQIKPRFKHG-RXMQYKEDSA-N 0 0 234.227 2.500 20 5 BFBDRN Cc1ccnc(N[C@@H]2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000070496400 179457209 /nfs/dbraw/zinc/45/72/09/179457209.db2.gz CLPCAFHJJXYJPB-PSASIEDQSA-N 0 0 235.287 2.899 20 5 BFBDRN CCC[C@@H](O)CNc1cc(C)sc1[N+](=O)[O-] ZINC000596124058 348445482 /nfs/dbraw/zinc/44/54/82/348445482.db2.gz TWZQXMMOFJHKDA-MRVPVSSYSA-N 0 0 244.316 2.538 20 5 BFBDRN Cc1cc(NCCC(C)(C)O)c([N+](=O)[O-])s1 ZINC000596194977 348458623 /nfs/dbraw/zinc/45/86/23/348458623.db2.gz JTMUPBIIOYYALR-UHFFFAOYSA-N 0 0 244.316 2.538 20 5 BFBDRN O=c1[nH]ccc(NCCC2=CCCC2)c1[N+](=O)[O-] ZINC000596173024 348461643 /nfs/dbraw/zinc/46/16/43/348461643.db2.gz OZFUWLVCMVLRSX-UHFFFAOYSA-N 0 0 249.270 2.608 20 5 BFBDRN Cc1ccnc(N[C@@H]2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000070496398 179456254 /nfs/dbraw/zinc/45/62/54/179456254.db2.gz CLPCAFHJJXYJPB-WCBMZHEXSA-N 0 0 235.287 2.899 20 5 BFBDRN CC[C@H](C)CCNc1ccc([N+](=O)[O-])nc1 ZINC000596416625 348540731 /nfs/dbraw/zinc/54/07/31/348540731.db2.gz UDPYRVUHSSFEGU-VIFPVBQESA-N 0 0 223.276 2.838 20 5 BFBDRN CC12CC(C1)CN2c1sccc1[N+](=O)[O-] ZINC000596575816 348591622 /nfs/dbraw/zinc/59/16/22/348591622.db2.gz ZJNITIZXWJFIOM-UHFFFAOYSA-N 0 0 224.285 2.645 20 5 BFBDRN CCc1nsc(-c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000596640096 348599481 /nfs/dbraw/zinc/59/94/81/348599481.db2.gz ZYTXYRZDNUSCDY-UHFFFAOYSA-N 0 0 249.295 2.984 20 5 BFBDRN O=[N+]([O-])c1ccc(NC[C@@H]2CCC[C@@H]3C[C@@H]32)cn1 ZINC000596475183 348554446 /nfs/dbraw/zinc/55/44/46/348554446.db2.gz VGZREKZREPLUCX-SCVCMEIPSA-N 0 0 247.298 2.838 20 5 BFBDRN Cc1cccc([N+](=O)[O-])c1N1CC[C@H]2C[C@H]2C1 ZINC000596508594 348571502 /nfs/dbraw/zinc/57/15/02/348571502.db2.gz DFBLELPBJYHLDC-QWRGUYRKSA-N 0 0 232.283 2.749 20 5 BFBDRN Cc1cnc(N[C@@H]2CC[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC000340871673 179640347 /nfs/dbraw/zinc/64/03/47/179640347.db2.gz HUCSGFJADMTFRK-RKDXNWHRSA-N 0 0 239.250 2.601 20 5 BFBDRN Cc1cnc(OCCCCCF)c([N+](=O)[O-])c1 ZINC000283884798 179643642 /nfs/dbraw/zinc/64/36/42/179643642.db2.gz IKMBHKILXPRJQD-UHFFFAOYSA-N 0 0 242.250 2.817 20 5 BFBDRN CC1(C)C[C@@]1(C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000598385956 348954948 /nfs/dbraw/zinc/95/49/48/348954948.db2.gz NUNCBCNUQJYLKZ-CYBMUJFWSA-N 0 0 248.282 2.513 20 5 BFBDRN C[C@H]1CCN1c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599028697 349079844 /nfs/dbraw/zinc/07/98/44/349079844.db2.gz VGIMBJHNLKUVAA-VIFPVBQESA-N 0 0 243.266 2.742 20 5 BFBDRN O=[N+]([O-])c1c2ccncc2ccc1N1CCCC1 ZINC000599013325 349082134 /nfs/dbraw/zinc/08/21/34/349082134.db2.gz HVDFHLQLRJFWEI-UHFFFAOYSA-N 0 0 243.266 2.743 20 5 BFBDRN COc1ccc([N+](=O)[O-])c(NCC2CC=CC2)c1 ZINC000599126427 349101865 /nfs/dbraw/zinc/10/18/65/349101865.db2.gz GZFOBHYUMXNXDO-UHFFFAOYSA-N 0 0 248.282 2.982 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(NCC2CC=CC2)n1 ZINC000599128349 349102711 /nfs/dbraw/zinc/10/27/11/349102711.db2.gz YBTWSRJUUQUDBH-UHFFFAOYSA-N 0 0 247.298 2.985 20 5 BFBDRN CCC(F)(F)CNc1ncc([N+](=O)[O-])cc1F ZINC000599149502 349106045 /nfs/dbraw/zinc/10/60/45/349106045.db2.gz NMFCBBAPDYGUQP-UHFFFAOYSA-N 0 0 249.192 2.586 20 5 BFBDRN C/C=C\CNc1ccc([N+](=O)[O-])cc1COC ZINC000599172710 349111527 /nfs/dbraw/zinc/11/15/27/349111527.db2.gz RPIMDWJZMDQDLS-ARJAWSKDSA-N 0 0 236.271 2.729 20 5 BFBDRN O=[N+]([O-])c1ncccc1NCCC1CCCC1 ZINC000159322668 350019787 /nfs/dbraw/zinc/01/97/87/350019787.db2.gz FPBBDYHSQYNMCX-UHFFFAOYSA-N 0 0 235.287 2.982 20 5 BFBDRN Cc1nc(N(C)[C@@H]2CC2(C)C)ccc1[N+](=O)[O-] ZINC000302844910 179997690 /nfs/dbraw/zinc/99/76/90/179997690.db2.gz FXXCQBAISFVXGF-SNVBAGLBSA-N 0 0 235.287 2.533 20 5 BFBDRN Cc1nc(NC2(C)CCC2)ccc1[N+](=O)[O-] ZINC000159970729 180016246 /nfs/dbraw/zinc/01/62/46/180016246.db2.gz HZIQCCKAXASKAJ-UHFFFAOYSA-N 0 0 221.260 2.653 20 5 BFBDRN Cc1nc(NC2CCCC2)ccc1[N+](=O)[O-] ZINC000161495301 180016423 /nfs/dbraw/zinc/01/64/23/180016423.db2.gz MXOVKDTYQJVUMH-UHFFFAOYSA-N 0 0 221.260 2.653 20 5 BFBDRN Cc1nc(NCc2cccs2)ccc1[N+](=O)[O-] ZINC000161500059 180020592 /nfs/dbraw/zinc/02/05/92/180020592.db2.gz UQYVKGJEPQUXSS-UHFFFAOYSA-N 0 0 249.295 2.972 20 5 BFBDRN Cc1nc(N[C@@H](C)CC(C)C)ncc1[N+](=O)[O-] ZINC000297546413 180023183 /nfs/dbraw/zinc/02/31/83/180023183.db2.gz QKHDULZDZOSKGR-QMMMGPOBSA-N 0 0 238.291 2.540 20 5 BFBDRN Cc1nc(N[C@H]2CCC[C@H]2F)ccc1[N+](=O)[O-] ZINC000338826061 180025772 /nfs/dbraw/zinc/02/57/72/180025772.db2.gz ARGNTFQLBXBQOX-BDAKNGLRSA-N 0 0 239.250 2.601 20 5 BFBDRN 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CC1=CCCN(c2ccsc2[N+](=O)[O-])C1 ZINC000619549413 358759520 /nfs/dbraw/zinc/75/95/20/358759520.db2.gz WFMGWDLEWQZWAC-UHFFFAOYSA-N 0 0 224.285 2.813 20 5 BFBDRN O=[N+]([O-])c1ccsc1NCC1CCC1 ZINC000306286960 359514668 /nfs/dbraw/zinc/51/46/68/359514668.db2.gz XXTSZWSQVVYNOH-UHFFFAOYSA-N 0 0 212.274 2.868 20 5 BFBDRN CC1(C)C[C@@H]1Nc1sccc1[N+](=O)[O-] ZINC000306293344 359528670 /nfs/dbraw/zinc/52/86/70/359528670.db2.gz UPYWIIBXEDSLHD-ZETCQYMHSA-N 0 0 212.274 2.867 20 5 BFBDRN Cc1nc(N2CC[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000450804110 202270651 /nfs/dbraw/zinc/27/06/51/202270651.db2.gz BUULKJFTUCUHRX-JTQLQIEISA-N 0 0 235.287 2.533 20 5 BFBDRN CC(C)[C@H]1CCN1c1ccccc1[N+](=O)[O-] ZINC000450817762 202276824 /nfs/dbraw/zinc/27/68/24/202276824.db2.gz YKZFUUDPVYIETD-SNVBAGLBSA-N 0 0 220.272 2.830 20 5 BFBDRN O=c1c([N+](=O)[O-])cccn1CCC1=CCCCC1 ZINC000450832957 202281271 /nfs/dbraw/zinc/28/12/71/202281271.db2.gz SDOAPICTESLPSZ-UHFFFAOYSA-N 0 0 248.282 2.647 20 5 BFBDRN 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CCN(CC1CC1)c1ccccc1[N+](=O)[O-] ZINC000069797824 368759539 /nfs/dbraw/zinc/75/95/39/368759539.db2.gz BZHSHTGDXWKCAN-UHFFFAOYSA-N 0 0 220.272 2.831 20 5 BFBDRN CCCCN(C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000153504558 368957664 /nfs/dbraw/zinc/95/76/64/368957664.db2.gz XYQHVWRWUZVOFC-UHFFFAOYSA-N 0 0 243.694 2.880 20 5 BFBDRN CCNc1c(Br)cccc1[N+](=O)[O-] ZINC000117803454 368963142 /nfs/dbraw/zinc/96/31/42/368963142.db2.gz CWPDWMCCZNGVPP-UHFFFAOYSA-N 0 0 245.076 2.789 20 5 BFBDRN CCN(c1ncc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000153608296 369139344 /nfs/dbraw/zinc/13/93/44/369139344.db2.gz RORWNAIKBYGEAN-UHFFFAOYSA-N 0 0 243.694 2.878 20 5 BFBDRN Cc1ncccc1NCc1csc([N+](=O)[O-])c1 ZINC000091495440 369419853 /nfs/dbraw/zinc/41/98/53/369419853.db2.gz LWZMQIYCGCVLAV-UHFFFAOYSA-N 0 0 249.295 2.972 20 5 BFBDRN CC[C@@H]1C[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000459888353 203379088 /nfs/dbraw/zinc/37/90/88/203379088.db2.gz MSPFYXBUNNFYGW-LDYMZIIASA-N 0 0 234.255 2.579 20 5 BFBDRN COCCCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000113651910 370450538 /nfs/dbraw/zinc/45/05/38/370450538.db2.gz BRJISLAGAJNYRH-UHFFFAOYSA-N 0 0 245.662 2.664 20 5 BFBDRN Cc1cnc(NC[C@H](C)C2CC2)c([N+](=O)[O-])c1 ZINC000078654182 370585685 /nfs/dbraw/zinc/58/56/85/370585685.db2.gz KQVADOIEOSPMRX-VIFPVBQESA-N 0 0 235.287 2.756 20 5 BFBDRN C[C@H](Nc1ccc([N+](=O)[O-])cn1)C1CCCC1 ZINC000070307219 371023133 /nfs/dbraw/zinc/02/31/33/371023133.db2.gz BIBSHHIJMIASLA-VIFPVBQESA-N 0 0 235.287 2.980 20 5 BFBDRN Cc1cccnc1COc1ccc([N+](=O)[O-])cc1 ZINC000092851463 371125293 /nfs/dbraw/zinc/12/52/93/371125293.db2.gz WLIXTOITFIBLNE-UHFFFAOYSA-N 0 0 244.250 2.877 20 5 BFBDRN CCC[C@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000020018687 371218146 /nfs/dbraw/zinc/21/81/46/371218146.db2.gz VDKNUKWUVVAFOI-QMMMGPOBSA-N 0 0 209.249 2.590 20 5 BFBDRN Cc1cccc([N+](=O)[O-])c1NCC(C)(F)F ZINC000393913037 371536932 /nfs/dbraw/zinc/53/69/32/371536932.db2.gz DZLUGJDEWLRVHK-UHFFFAOYSA-N 0 0 230.214 2.970 20 5 BFBDRN COc1cc(OC[C@H]2C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000600528286 371680402 /nfs/dbraw/zinc/68/04/02/371680402.db2.gz QXXDPSLDKICVMS-DTWKUNHWSA-N 0 0 237.255 2.638 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(OC[C@@H]2C[C@@H]2C)c1 ZINC000600513544 371678512 /nfs/dbraw/zinc/67/85/12/371678512.db2.gz QQIQXKZSCGFSGQ-UWVGGRQHSA-N 0 0 221.256 2.938 20 5 BFBDRN C[C@H]1C[C@@H]1COc1c(F)cccc1[N+](=O)[O-] ZINC000600534432 371681683 /nfs/dbraw/zinc/68/16/83/371681683.db2.gz NGVCDLAQIRECOJ-JGVFFNPUSA-N 0 0 225.219 2.769 20 5 BFBDRN O=[N+]([O-])c1cnc(N[C@]23C[C@H]2CCCC3)s1 ZINC000601225176 371740022 /nfs/dbraw/zinc/74/00/22/371740022.db2.gz DISLEGLAFOYTKH-GMSGAONNSA-N 0 0 239.300 2.796 20 5 BFBDRN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])s2)[C@H](C)O1 ZINC000601224565 371740077 /nfs/dbraw/zinc/74/00/77/371740077.db2.gz HMILIEBJQOQTPW-CSMHCCOUSA-N 0 0 242.300 2.634 20 5 BFBDRN C[C@@H]1C[C@H](Nc2sccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000601223785 371740187 /nfs/dbraw/zinc/74/01/87/371740187.db2.gz NBTJAGMGBHSEET-PRJMDXOYSA-N 0 0 242.300 2.634 20 5 BFBDRN O=[N+]([O-])c1ccccc1N1CC[C@@H]1C(F)(F)F ZINC000601189400 371735753 /nfs/dbraw/zinc/73/57/53/371735753.db2.gz RDCAZESSDDEELA-SECBINFHSA-N 0 0 246.188 2.736 20 5 BFBDRN Cc1ccc(OCCc2cnoc2)cc1[N+](=O)[O-] ZINC000600537687 371681899 /nfs/dbraw/zinc/68/18/99/371681899.db2.gz RRLKFKYASVAISF-UHFFFAOYSA-N 0 0 248.238 2.513 20 5 BFBDRN C[C@H]1C[C@H]1COc1c(Cl)cncc1[N+](=O)[O-] ZINC000600550407 371685743 /nfs/dbraw/zinc/68/57/43/371685743.db2.gz HFDDHIKOJWTAKQ-BQBZGAKWSA-N 0 0 242.662 2.678 20 5 BFBDRN O=[N+]([O-])c1ncccc1N[C@H]1CCCC12CC2 ZINC000601211059 371738287 /nfs/dbraw/zinc/73/82/87/371738287.db2.gz VWPDUNYSPZFMLP-JTQLQIEISA-N 0 0 233.271 2.734 20 5 BFBDRN CC1(C)CC[C@H](Nc2cccnc2[N+](=O)[O-])C1 ZINC000162661624 371743420 /nfs/dbraw/zinc/74/34/20/371743420.db2.gz XPVXZFXMJYRIDK-VIFPVBQESA-N 0 0 235.287 2.980 20 5 BFBDRN COc1cc([N+](=O)[O-])ccc1OCC(C)C ZINC000132241082 371771960 /nfs/dbraw/zinc/77/19/60/371771960.db2.gz MUIIPFHWGPOMTB-UHFFFAOYSA-N 0 0 225.244 2.638 20 5 BFBDRN CCC(F)(F)COc1ncc(C)cc1[N+](=O)[O-] ZINC000603322857 371884114 /nfs/dbraw/zinc/88/41/14/371884114.db2.gz WELGUCRAIOYZEJ-UHFFFAOYSA-N 0 0 246.213 2.722 20 5 BFBDRN Cc1ccc(CCNc2cccnc2[N+](=O)[O-])o1 ZINC000603854713 371935532 /nfs/dbraw/zinc/93/55/32/371935532.db2.gz MGRVONIHJOYLGO-UHFFFAOYSA-N 0 0 247.254 2.546 20 5 BFBDRN CC(C)(Nc1ccc([N+](=O)[O-])cc1)c1ncc[nH]1 ZINC000603406617 371890889 /nfs/dbraw/zinc/89/08/89/371890889.db2.gz MKSQAYQCUZPFQY-UHFFFAOYSA-N 0 0 246.270 2.665 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(N[C@H](C)C(F)F)n1 ZINC000603424051 371894032 /nfs/dbraw/zinc/89/40/32/371894032.db2.gz KPNPAINNRWOPMW-SSDOTTSWSA-N 0 0 245.229 2.672 20 5 BFBDRN O=[N+]([O-])c1ccc(NCc2ccsc2)cn1 ZINC000058000530 371942876 /nfs/dbraw/zinc/94/28/76/371942876.db2.gz AHVRLRCZWDWKSA-UHFFFAOYSA-N 0 0 235.268 2.663 20 5 BFBDRN Cc1cc(N2CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000604403168 371969701 /nfs/dbraw/zinc/96/97/01/371969701.db2.gz QUTMXWXZZZQFOH-SECBINFHSA-N 0 0 206.245 2.502 20 5 BFBDRN C[C@H](Nc1ccccc1[N+](=O)[O-])C(F)F ZINC000228496752 372036035 /nfs/dbraw/zinc/03/60/35/372036035.db2.gz UPSTZYNBYJZKFC-LURJTMIESA-N 0 0 216.187 2.660 20 5 BFBDRN Cc1cnc(N[C@@H]2CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000133226075 372007469 /nfs/dbraw/zinc/00/74/69/372007469.db2.gz PDOQBKYJGAMJLA-WCBMZHEXSA-N 0 0 235.287 2.899 20 5 BFBDRN O=[N+]([O-])c1cccc(OC[C@@H]2CCCCO2)c1 ZINC000058835244 372098790 /nfs/dbraw/zinc/09/87/90/372098790.db2.gz NGKGHAXLTOSXJS-LBPRGKRZSA-N 0 0 237.255 2.543 20 5 BFBDRN O=[N+]([O-])c1ncccc1NCCC1=CCCC1 ZINC000229174395 372124729 /nfs/dbraw/zinc/12/47/29/372124729.db2.gz CFCDBXIOIGCEKR-UHFFFAOYSA-N 0 0 233.271 2.902 20 5 BFBDRN CCN(Cc1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000171636592 372714855 /nfs/dbraw/zinc/71/48/55/372714855.db2.gz YUFLWHRBRWUZNY-UHFFFAOYSA-N 0 0 240.278 2.964 20 5 BFBDRN CCN(Cc1ccccc1[N+](=O)[O-])CC(F)F ZINC000171992061 372845201 /nfs/dbraw/zinc/84/52/01/372845201.db2.gz LQFFGZDADCKMEG-UHFFFAOYSA-N 0 0 244.241 2.682 20 5 BFBDRN O=C(Nc1cccc([N+](=O)[O-])c1)C1[C@@H]2CCC[C@H]12 ZINC000175676271 182372146 /nfs/dbraw/zinc/37/21/46/182372146.db2.gz GWJMGNHDSSTOPX-FOSCPWQOSA-N 0 0 246.266 2.579 20 5 BFBDRN O=[N+]([O-])c1ccc(NC[C@H]2CCCCO2)cc1 ZINC000052684467 182936614 /nfs/dbraw/zinc/93/66/14/182936614.db2.gz OFZKMUXWELARQO-GFCCVEGCSA-N 0 0 236.271 2.576 20 5 BFBDRN O=[N+]([O-])c1ccc(NCC2CCC2)c(F)c1 ZINC000034653154 182934448 /nfs/dbraw/zinc/93/44/48/182934448.db2.gz VQRNFLSXPFGNPV-UHFFFAOYSA-N 0 0 224.235 2.946 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@H]2C[C@@H]2C(F)F)cc1 ZINC000348224384 182937973 /nfs/dbraw/zinc/93/79/73/182937973.db2.gz RTHAJVKPTMXMLL-IUCAKERBSA-N 0 0 228.198 2.660 20 5 BFBDRN CCCN(C)c1ccc([N+](=O)[O-])cc1C(C)=O ZINC000061569723 169087683 /nfs/dbraw/zinc/08/76/83/169087683.db2.gz SFKWWKHAXLOXPX-UHFFFAOYSA-N 0 0 236.271 2.644 20 5 BFBDRN CCCN(C)c1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000301456107 169088409 /nfs/dbraw/zinc/08/84/09/169088409.db2.gz WQNKLVZPZZGKFR-UHFFFAOYSA-N 0 0 242.250 2.589 20 5 BFBDRN CCCN(C)c1ccc([N+](=O)[O-])cc1COC ZINC000266990739 169088672 /nfs/dbraw/zinc/08/86/72/169088672.db2.gz VDCLODAGSRWDRC-UHFFFAOYSA-N 0 0 238.287 2.587 20 5 BFBDRN CCCN(CCC)c1cc(C)c([N+](=O)[O-])cn1 ZINC000301499588 169152163 /nfs/dbraw/zinc/15/21/63/169152163.db2.gz WGGCIWCJAYMKHL-UHFFFAOYSA-N 0 0 237.303 2.925 20 5 BFBDRN CCCN(CCC)c1ncccc1[N+](=O)[O-] ZINC000264891002 169153258 /nfs/dbraw/zinc/15/32/58/169153258.db2.gz FVNBZNQZYNSECT-UHFFFAOYSA-N 0 0 223.276 2.616 20 5 BFBDRN CCCN(CCC)c1ncc([N+](=O)[O-])s1 ZINC000195507916 169154182 /nfs/dbraw/zinc/15/41/82/169154182.db2.gz JGJBXXPDRQBRAR-UHFFFAOYSA-N 0 0 229.305 2.678 20 5 BFBDRN CCCN(c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000302006555 169182329 /nfs/dbraw/zinc/18/23/29/169182329.db2.gz AGDHYEZZIBNQOE-UHFFFAOYSA-N 0 0 220.272 2.974 20 5 BFBDRN CCCOC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000035101589 169300494 /nfs/dbraw/zinc/30/04/94/169300494.db2.gz XCVRPJXGWBQXRC-UHFFFAOYSA-N 0 0 243.646 2.815 20 5 BFBDRN CCC[C@H](CNc1ccc([N+](=O)[O-])cc1)OC ZINC000293584779 169499595 /nfs/dbraw/zinc/49/95/95/169499595.db2.gz FQYIKFDKEXQUIF-GFCCVEGCSA-N 0 0 238.287 2.822 20 5 BFBDRN C[C@@H](F)CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000338752157 383825314 /nfs/dbraw/zinc/82/53/14/383825314.db2.gz DXKQRNKDWYOGIW-ZCFIWIBFSA-N 0 0 247.657 2.803 20 5 BFBDRN CC(C)[C@@H]1N(c2ncccc2[N+](=O)[O-])CC1(C)C ZINC000292304182 383826033 /nfs/dbraw/zinc/82/60/33/383826033.db2.gz AMBZIRVZBSVIDU-NSHDSACASA-N 0 0 249.314 2.861 20 5 BFBDRN CC[C@@H](O)[C@@H](CC)Nc1ccc([N+](=O)[O-])cc1 ZINC000313100235 383880303 /nfs/dbraw/zinc/88/03/03/383880303.db2.gz YPPAGVWOPNAVHO-VXGBXAGGSA-N 0 0 238.287 2.556 20 5 BFBDRN Nc1ccc(NCC2CCCC2)c([N+](=O)[O-])c1 ZINC000283542718 383864188 /nfs/dbraw/zinc/86/41/88/383864188.db2.gz LYWXLJRGRZMKIO-UHFFFAOYSA-N 0 0 235.287 2.779 20 5 BFBDRN C[C@@H](CF)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000288255984 383832695 /nfs/dbraw/zinc/83/26/95/383832695.db2.gz PGOLDGBKOGNUNK-QMMMGPOBSA-N 0 0 249.245 2.913 20 5 BFBDRN Cc1nc(CNc2ccc([N+](=O)[O-])cc2)oc1C ZINC000226745933 383925148 /nfs/dbraw/zinc/92/51/48/383925148.db2.gz QSNRYIHBJFBLJI-UHFFFAOYSA-N 0 0 247.254 2.812 20 5 BFBDRN Cc1ccnc(NCc2ccccc2[N+](=O)[O-])c1 ZINC000050015869 383887736 /nfs/dbraw/zinc/88/77/36/383887736.db2.gz IPPSFXZTBPTMET-UHFFFAOYSA-N 0 0 243.266 2.910 20 5 BFBDRN C[C@@H](O)[C@@H](C)Sc1c(F)cccc1[N+](=O)[O-] ZINC000288433282 383891053 /nfs/dbraw/zinc/89/10/53/383891053.db2.gz OKUHSQUJPASJBB-RNFRBKRXSA-N 0 0 245.275 2.595 20 5 BFBDRN CC(=O)c1cc(NC[C@@H]2C[C@H]2C)ccc1[N+](=O)[O-] ZINC000288536531 383899496 /nfs/dbraw/zinc/89/94/96/383899496.db2.gz SBUJABYBUXKTRW-SCZZXKLOSA-N 0 0 248.282 2.865 20 5 BFBDRN Cc1cc(N2CC3(CC3)C2)ccc1[N+](=O)[O-] ZINC000334794191 383954250 /nfs/dbraw/zinc/95/42/50/383954250.db2.gz WHFMPWKDXSVCNZ-UHFFFAOYSA-N 0 0 218.256 2.503 20 5 BFBDRN Nc1ccc(N[C@@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000287352574 384023120 /nfs/dbraw/zinc/02/31/20/384023120.db2.gz PKOBKSSERMXKEH-SNVBAGLBSA-N 0 0 233.271 2.698 20 5 BFBDRN O=[N+]([O-])c1cccc(SC[C@H]2CCCO2)c1 ZINC000337908558 384042638 /nfs/dbraw/zinc/04/26/38/384042638.db2.gz FPXTZWREEUPSDG-SNVBAGLBSA-N 0 0 239.296 2.866 20 5 BFBDRN O=[N+]([O-])c1ccc(Nc2ccc(F)cc2)cn1 ZINC000339958912 384067988 /nfs/dbraw/zinc/06/79/88/384067988.db2.gz AEIBEYMVFXKEMU-UHFFFAOYSA-N 0 0 233.202 2.873 20 5 BFBDRN CC[C@H]1CCCCN1c1ccc([N+](=O)[O-])nc1 ZINC000339967110 384071397 /nfs/dbraw/zinc/07/13/97/384071397.db2.gz XOQCMSUYNQKAIA-JTQLQIEISA-N 0 0 235.287 2.759 20 5 BFBDRN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000178391574 384107018 /nfs/dbraw/zinc/10/70/18/384107018.db2.gz OSMWHXPOVJVNAO-QMMMGPOBSA-N 0 0 234.255 2.579 20 5 BFBDRN CCc1ccc(Cn2cc(C)c([N+](=O)[O-])n2)cc1 ZINC000337936742 384092474 /nfs/dbraw/zinc/09/24/74/384092474.db2.gz CNHRTIUMNXTBOJ-UHFFFAOYSA-N 0 0 245.282 2.710 20 5 BFBDRN C[C@H]1CC[C@H]1Nc1c(F)cccc1[N+](=O)[O-] ZINC000309408808 384094817 /nfs/dbraw/zinc/09/48/17/384094817.db2.gz IJRJBRWESSQHQX-IONNQARKSA-N 0 0 224.235 2.944 20 5 BFBDRN C[C@@H](C(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000178401445 384145432 /nfs/dbraw/zinc/14/54/32/384145432.db2.gz LFDAUAMIDGPRQX-SECBINFHSA-N 0 0 248.282 2.604 20 5 BFBDRN CC[C@]1(C)CCN(c2ccncc2[N+](=O)[O-])C1 ZINC000361072535 384184829 /nfs/dbraw/zinc/18/48/29/384184829.db2.gz FHBXQPVPQQPWOF-GFCCVEGCSA-N 0 0 235.287 2.616 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]2C2CC2)c(F)c1 ZINC000362374491 384202528 /nfs/dbraw/zinc/20/25/28/384202528.db2.gz WRMUKRBYIOMVRF-JOYOIKCWSA-N 0 0 236.246 2.944 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H]2C2CC2)n1 ZINC000362376560 384202589 /nfs/dbraw/zinc/20/25/89/384202589.db2.gz RWQYSVDRWACEBB-ZJUUUORDSA-N 0 0 233.271 2.509 20 5 BFBDRN O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](C3CC3)C2)cc1 ZINC000362413712 384206032 /nfs/dbraw/zinc/20/60/32/384206032.db2.gz NRBVKPYLPOBMRR-ZDUSSCGKSA-N 0 0 246.310 2.827 20 5 BFBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C1(C)CC1 ZINC000362345688 384197887 /nfs/dbraw/zinc/19/78/87/384197887.db2.gz ONZTTYXQSOHUND-UHFFFAOYSA-N 0 0 248.282 2.896 20 5 BFBDRN O=[N+]([O-])c1ccc(SC2CCC2)nc1 ZINC000336548479 384235810 /nfs/dbraw/zinc/23/58/10/384235810.db2.gz JOQAAKSTGJQWFB-UHFFFAOYSA-N 0 0 210.258 2.634 20 5 BFBDRN Cc1ccnc(NC2CCCC2)c1[N+](=O)[O-] ZINC000070062611 384217347 /nfs/dbraw/zinc/21/73/47/384217347.db2.gz QIONSMJVZVFYDC-UHFFFAOYSA-N 0 0 221.260 2.653 20 5 BFBDRN O=[N+]([O-])c1ccccc1N[C@@H]1CC[C@@H](F)C1 ZINC000336666080 384252262 /nfs/dbraw/zinc/25/22/62/384252262.db2.gz DZIVGUHYFOWFQV-RKDXNWHRSA-N 0 0 224.235 2.897 20 5 BFBDRN O=[N+]([O-])c1cn(C[C@@H]2C[C@H]2c2ccccc2)cn1 ZINC000359159265 384378578 /nfs/dbraw/zinc/37/85/78/384378578.db2.gz JWKSSTBGBPLLNQ-RYUDHWBXSA-N 0 0 243.266 2.595 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(Oc2cccnc2)n1 ZINC000359110769 384378796 /nfs/dbraw/zinc/37/87/96/384378796.db2.gz SZIUVLJKIKGCBO-UHFFFAOYSA-N 0 0 245.238 2.794 20 5 BFBDRN C[C@@H](CO)CSCc1csc([N+](=O)[O-])c1 ZINC000359743822 384429732 /nfs/dbraw/zinc/42/97/32/384429732.db2.gz OFWWYULKGBDRCJ-ZETCQYMHSA-N 0 0 247.341 2.518 20 5 BFBDRN CCC1(C)CN(c2ccccc2[N+](=O)[O-])C1 ZINC000359954162 384469806 /nfs/dbraw/zinc/46/98/06/384469806.db2.gz JYWDWKPVRRYPJF-UHFFFAOYSA-N 0 0 220.272 2.831 20 5 BFBDRN CCOc1cccc(NCC2CC2)c1[N+](=O)[O-] ZINC000134900738 384480210 /nfs/dbraw/zinc/48/02/10/384480210.db2.gz UJLPYTUCKQEUJY-UHFFFAOYSA-N 0 0 236.271 2.815 20 5 BFBDRN C[C@@H]1C[C@@H](C)N1c1ccc(F)cc1[N+](=O)[O-] ZINC000530535728 384507990 /nfs/dbraw/zinc/50/79/90/384507990.db2.gz DYZOACVWERLJIL-HTQZYQBOSA-N 0 0 224.235 2.721 20 5 BFBDRN CCC1(CNc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000226807520 384515148 /nfs/dbraw/zinc/51/51/48/384515148.db2.gz DCTSUDXALWXUFW-UHFFFAOYSA-N 0 0 235.287 2.900 20 5 BFBDRN CC(=O)c1ccc(OCCCF)c([N+](=O)[O-])c1 ZINC000119027883 384549680 /nfs/dbraw/zinc/54/96/80/384549680.db2.gz TVQXXPBMRYORIE-UHFFFAOYSA-N 0 0 241.218 2.536 20 5 BFBDRN Cc1cnc(N(C)Cc2ccoc2)c([N+](=O)[O-])c1 ZINC000361274672 384624763 /nfs/dbraw/zinc/62/47/63/384624763.db2.gz ZLSMMBNKCXLYTN-UHFFFAOYSA-N 0 0 247.254 2.528 20 5 BFBDRN C[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000047848182 384668014 /nfs/dbraw/zinc/66/80/14/384668014.db2.gz POXGEVSSORNBDJ-UWVGGRQHSA-N 0 0 235.287 2.980 20 5 BFBDRN C[C@H](NCC(C)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000565495961 384654112 /nfs/dbraw/zinc/65/41/12/384654112.db2.gz UVSQWJOKQPUCEH-QMMMGPOBSA-N 0 0 244.241 2.901 20 5 BFBDRN Cc1cc(CNc2ccccc2[N+](=O)[O-])no1 ZINC000044416193 384682804 /nfs/dbraw/zinc/68/28/04/384682804.db2.gz JPDZYIJMBSOXFC-UHFFFAOYSA-N 0 0 233.227 2.503 20 5 BFBDRN C[C@@H](CO)S[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000361422244 384697027 /nfs/dbraw/zinc/69/70/27/384697027.db2.gz ZBOABOGFRSGDEE-IUCAKERBSA-N 0 0 241.312 2.770 20 5 BFBDRN O=[N+]([O-])c1ccc(OCC[C@H]2CCCO2)cc1 ZINC000188730467 384698760 /nfs/dbraw/zinc/69/87/60/384698760.db2.gz ZNDUYOXKEPDYRL-LLVKDONJSA-N 0 0 237.255 2.543 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@H]2CC3CCC2CC3)nc1 ZINC000311124168 384779829 /nfs/dbraw/zinc/77/98/29/384779829.db2.gz AJSUZUJCPWQFOO-CBINBANVSA-N 0 0 247.298 2.980 20 5 BFBDRN C/C=C(\C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000175818112 384801554 /nfs/dbraw/zinc/80/15/54/384801554.db2.gz MBHWXQKEHRQOLO-XBXARRHUSA-N 0 0 234.255 2.808 20 5 BFBDRN Cc1ccncc1NCc1cccc([N+](=O)[O-])c1 ZINC000071413551 384884163 /nfs/dbraw/zinc/88/41/63/384884163.db2.gz JEIKBEXRMQSMBT-UHFFFAOYSA-N 0 0 243.266 2.910 20 5 BFBDRN Cc1ccc(OCCOC(C)C)c([N+](=O)[O-])c1 ZINC000060706525 384843939 /nfs/dbraw/zinc/84/39/39/384843939.db2.gz UTHNSLWYVQQYGY-UHFFFAOYSA-N 0 0 239.271 2.707 20 5 BFBDRN CC(C)(C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000289721420 384852978 /nfs/dbraw/zinc/85/29/78/384852978.db2.gz SCFZOZNBCBSZMO-UHFFFAOYSA-N 0 0 248.282 2.970 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(NCc2ccccn2)c1 ZINC000084726199 384865792 /nfs/dbraw/zinc/86/57/92/384865792.db2.gz UFJPHUZWNQHGFZ-UHFFFAOYSA-N 0 0 243.266 2.910 20 5 BFBDRN CC[C@@H](COC)Nc1cc(C)ccc1[N+](=O)[O-] ZINC000084726601 384865860 /nfs/dbraw/zinc/86/58/60/384865860.db2.gz QPCJGQIHRLCHLO-JTQLQIEISA-N 0 0 238.287 2.740 20 5 BFBDRN O=[N+]([O-])c1ccccc1N[C@@H]1C[C@H]1C1CC1 ZINC000309529813 384932927 /nfs/dbraw/zinc/93/29/27/384932927.db2.gz VRGHJLDGUJUJEI-GXSJLCMTSA-N 0 0 218.256 2.805 20 5 BFBDRN CC(C)(C)CCCn1nccc1[N+](=O)[O-] ZINC000275618197 384991785 /nfs/dbraw/zinc/99/17/85/384991785.db2.gz KYCAJWUXMHWORN-UHFFFAOYSA-N 0 0 211.265 2.618 20 5 BFBDRN Cc1nc(N2CC(C)(C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000516257683 385087458 /nfs/dbraw/zinc/08/74/58/385087458.db2.gz HOYSYOGJMLQGBQ-SECBINFHSA-N 0 0 249.314 2.923 20 5 BFBDRN Cc1nc(N2CC(C)(C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000516257684 385087606 /nfs/dbraw/zinc/08/76/06/385087606.db2.gz HOYSYOGJMLQGBQ-VIFPVBQESA-N 0 0 249.314 2.923 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CCC[C@@H]2C2CCC2)nc1 ZINC000263977560 385183732 /nfs/dbraw/zinc/18/37/32/385183732.db2.gz AFGPHQARUILDIO-GFCCVEGCSA-N 0 0 247.298 2.759 20 5 BFBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C1CC1 ZINC000110083770 385207999 /nfs/dbraw/zinc/20/79/99/385207999.db2.gz BFBRKJPPQPOCLS-UHFFFAOYSA-N 0 0 249.270 2.529 20 5 BFBDRN O=[N+]([O-])c1ccc(-c2nc3cnccc3s2)o1 ZINC000338239926 385225057 /nfs/dbraw/zinc/22/50/57/385225057.db2.gz SVFBYFWVTPBMMT-UHFFFAOYSA-N 0 0 247.235 2.860 20 5 BFBDRN CO[C@@H](C)CCNc1c(F)cccc1[N+](=O)[O-] ZINC000288011667 385259904 /nfs/dbraw/zinc/25/99/04/385259904.db2.gz SJXNNRZYEMCYIW-QMMMGPOBSA-N 0 0 242.250 2.571 20 5 BFBDRN O=[N+]([O-])c1ccc(NCC2(C3CC3)CCC2)nc1 ZINC000128414536 385489334 /nfs/dbraw/zinc/48/93/34/385489334.db2.gz RQRPTGMRMBAUDA-UHFFFAOYSA-N 0 0 247.298 2.982 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(N2[C@@H](C)CC[C@@H]2C)n1 ZINC000408172529 385605613 /nfs/dbraw/zinc/60/56/13/385605613.db2.gz XOFFWWSDQZGTRL-QWRGUYRKSA-N 0 0 249.314 2.984 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H](C)C[C@H]2C)n1 ZINC000408172279 385605621 /nfs/dbraw/zinc/60/56/21/385605621.db2.gz UVPNZWGCGLFBNC-LDYMZIIASA-N 0 0 249.314 2.841 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(NCCc2ccco2)n1 ZINC000128908960 385613472 /nfs/dbraw/zinc/61/34/72/385613472.db2.gz HFQDZEQOJJNEIW-UHFFFAOYSA-N 0 0 247.254 2.546 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H](C)c2cn[nH]c2)c1 ZINC000229871439 385684123 /nfs/dbraw/zinc/68/41/23/385684123.db2.gz DDASNXIQXXZAIW-VIFPVBQESA-N 0 0 246.270 2.799 20 5 BFBDRN C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000034993942 385685678 /nfs/dbraw/zinc/68/56/78/385685678.db2.gz AKUGEAHJMGMZPH-ZETCQYMHSA-N 0 0 224.235 2.944 20 5 BFBDRN Cc1nc(NCC2(C)CCC2)ccc1[N+](=O)[O-] ZINC000151028375 385695315 /nfs/dbraw/zinc/69/53/15/385695315.db2.gz BBZJBLQLHBDUDI-UHFFFAOYSA-N 0 0 235.287 2.900 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(NCC2=CCOCC2)c1 ZINC000397746977 385708698 /nfs/dbraw/zinc/70/86/98/385708698.db2.gz NMPBOBLIXUEMNZ-UHFFFAOYSA-N 0 0 248.282 2.662 20 5 BFBDRN Cc1ncc(CNc2c(C)cccc2[N+](=O)[O-])o1 ZINC000397976146 385731744 /nfs/dbraw/zinc/73/17/44/385731744.db2.gz DKFLRYGVIBFHOE-UHFFFAOYSA-N 0 0 247.254 2.812 20 5 BFBDRN Cc1ccc(NC[C@@H]2C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000159764718 385732064 /nfs/dbraw/zinc/73/20/64/385732064.db2.gz RKLYDBDCXTVUJW-UWVGGRQHSA-N 0 0 220.272 2.971 20 5 BFBDRN O=[N+]([O-])c1cccc(CN2CCC[C@@H]2CF)c1 ZINC000293128049 385737580 /nfs/dbraw/zinc/73/75/80/385737580.db2.gz RYTWBWBBBUEGOV-GFCCVEGCSA-N 0 0 238.262 2.529 20 5 BFBDRN Cc1nc(N[C@H](C)CC2CC2)ccc1[N+](=O)[O-] ZINC000150829174 385832314 /nfs/dbraw/zinc/83/23/14/385832314.db2.gz FKRQTIDKSOJVCG-MRVPVSSYSA-N 0 0 235.287 2.899 20 5 BFBDRN CC[C@H]1CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000291731850 385936984 /nfs/dbraw/zinc/93/69/84/385936984.db2.gz IIJVLZWGHOGRSJ-JTQLQIEISA-N 0 0 249.270 2.611 20 5 BFBDRN CN(Cc1ccccc1)c1ccncc1[N+](=O)[O-] ZINC000307653573 385963292 /nfs/dbraw/zinc/96/32/92/385963292.db2.gz LLTAJSKHSMJYAO-UHFFFAOYSA-N 0 0 243.266 2.626 20 5 BFBDRN COc1ccc([N+](=O)[O-])cc1NCCC1CC1 ZINC000438296842 385970618 /nfs/dbraw/zinc/97/06/18/385970618.db2.gz FWFGYVQCLKFBLK-UHFFFAOYSA-N 0 0 236.271 2.815 20 5 BFBDRN CN(Cc1ccoc1)c1ccccc1[N+](=O)[O-] ZINC000345231713 386186035 /nfs/dbraw/zinc/18/60/35/386186035.db2.gz ZVJPLOIYBZDAFM-UHFFFAOYSA-N 0 0 232.239 2.824 20 5 BFBDRN CC(C)C1(NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000293933149 386125254 /nfs/dbraw/zinc/12/52/54/386125254.db2.gz NBGJVLYVCZDWBT-UHFFFAOYSA-N 0 0 248.282 2.513 20 5 BFBDRN Cc1ccc(NC(=O)/C=C/C2CC2)cc1[N+](=O)[O-] ZINC000266234296 386133570 /nfs/dbraw/zinc/13/35/70/386133570.db2.gz MVDOUBJQJJHVCC-FNORWQNLSA-N 0 0 246.266 2.808 20 5 BFBDRN Cc1cc(N2CC[C@@H]3CCC[C@@H]32)ncc1[N+](=O)[O-] ZINC000408361754 386240512 /nfs/dbraw/zinc/24/05/12/386240512.db2.gz JAFFYLQAQQSJCW-QWRGUYRKSA-N 0 0 247.298 2.677 20 5 BFBDRN Cc1n[nH]c(C)c1/C=C/c1ccc([N+](=O)[O-])cn1 ZINC000439519671 386474011 /nfs/dbraw/zinc/47/40/11/386474011.db2.gz UMDRVYJCXMRGPS-GQCTYLIASA-N 0 0 244.254 2.500 20 5 BFBDRN Cc1cc([N+](=O)[O-])cn(CCCC(C)C)c1=O ZINC000428058832 386523023 /nfs/dbraw/zinc/52/30/23/386523023.db2.gz ZGDOKMLGQXILKC-UHFFFAOYSA-N 0 0 238.287 2.501 20 5 BFBDRN CC(C)[C@]1(C)C[C@@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000397289455 386578776 /nfs/dbraw/zinc/57/87/76/386578776.db2.gz KRGXBKNRVZEQKW-JQWIXIFHSA-N 0 0 235.287 2.836 20 5 BFBDRN Cc1cc(N2CCC(F)(F)C2)ccc1[N+](=O)[O-] ZINC000345105631 386549636 /nfs/dbraw/zinc/54/96/36/386549636.db2.gz JWRYWKVVHBVBLI-UHFFFAOYSA-N 0 0 242.225 2.749 20 5 BFBDRN CN(Cc1ccoc1)Cc1cccc([N+](=O)[O-])c1 ZINC000345102126 386550410 /nfs/dbraw/zinc/55/04/10/386550410.db2.gz WYFBBCJVLYBYPO-UHFFFAOYSA-N 0 0 246.266 2.820 20 5 BFBDRN Cc1c(OC(=O)C2(C)CCC2)cccc1[N+](=O)[O-] ZINC000267536494 386551177 /nfs/dbraw/zinc/55/11/77/386551177.db2.gz SXFSEGSZQHOOGO-UHFFFAOYSA-N 0 0 249.266 2.999 20 5 BFBDRN CCN(CC1CCC1)c1ncc([N+](=O)[O-])s1 ZINC000336982330 386571033 /nfs/dbraw/zinc/57/10/33/386571033.db2.gz DUPDGQGULGXMKK-UHFFFAOYSA-N 0 0 241.316 2.678 20 5 BFBDRN O=[N+]([O-])c1cc(Cl)ccc1OCCF ZINC000340665582 386631771 /nfs/dbraw/zinc/63/17/71/386631771.db2.gz IOFUGTMECKWZCO-UHFFFAOYSA-N 0 0 219.599 2.597 20 5 BFBDRN Cc1nc(N2CC(C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000519629706 386599166 /nfs/dbraw/zinc/59/91/66/386599166.db2.gz IYAADWKYMXXNSL-UHFFFAOYSA-N 0 0 249.314 2.781 20 5 BFBDRN CC[C@@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000337262170 386694325 /nfs/dbraw/zinc/69/43/25/386694325.db2.gz YNOWHCSTVGIXRD-SNVBAGLBSA-N 0 0 234.299 2.751 20 5 BFBDRN Cc1ccc([N+](=O)[O-])cc1OCCCF ZINC000151727028 386793725 /nfs/dbraw/zinc/79/37/25/386793725.db2.gz LTIBOQIYUVIOKV-UHFFFAOYSA-N 0 0 213.208 2.642 20 5 BFBDRN O=[N+]([O-])c1cccnc1N[C@@H]1C[C@H]1c1ccco1 ZINC000413613620 386793776 /nfs/dbraw/zinc/79/37/76/386793776.db2.gz YWYIVIGAPISWLG-RKDXNWHRSA-N 0 0 245.238 2.551 20 5 BFBDRN CC[C@@H](C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000129750227 386803577 /nfs/dbraw/zinc/80/35/77/386803577.db2.gz PLJUKWYUVRLUBE-ZCFIWIBFSA-N 0 0 229.667 2.854 20 5 BFBDRN COc1cc(N(C)C2CCC2)ccc1[N+](=O)[O-] ZINC000267534538 386934748 /nfs/dbraw/zinc/93/47/48/386934748.db2.gz RYTMRCPZWMSBCI-UHFFFAOYSA-N 0 0 236.271 2.592 20 5 BFBDRN CC1(C)CCC[C@@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000094267191 386963293 /nfs/dbraw/zinc/96/32/93/386963293.db2.gz KXDQPMBZIJYYCM-JTQLQIEISA-N 0 0 235.287 2.980 20 5 BFBDRN Cc1c(OCC2CC2)cccc1[N+](=O)[O-] ZINC000129879431 387094577 /nfs/dbraw/zinc/09/45/77/387094577.db2.gz HJNZZSODJLWARW-UHFFFAOYSA-N 0 0 207.229 2.692 20 5 BFBDRN CC[C@@H](F)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000440506276 387247229 /nfs/dbraw/zinc/24/72/29/387247229.db2.gz ZYXYQOHMJXAVHD-VHSXEESVSA-N 0 0 240.278 2.994 20 5 BFBDRN Cc1ccc([N+](=O)[O-])cc1OCCOC(C)C ZINC000192454591 387372668 /nfs/dbraw/zinc/37/26/68/387372668.db2.gz TZDPVUKKQHGMOA-UHFFFAOYSA-N 0 0 239.271 2.707 20 5 BFBDRN Cc1ccc(NC(=O)[C@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000130072843 387502814 /nfs/dbraw/zinc/50/28/14/387502814.db2.gz DCGARMCGWIHQOY-SNVBAGLBSA-N 0 0 248.282 2.888 20 5 BFBDRN CSCOc1ccc([N+](=O)[O-])c(F)c1F ZINC000295945154 387514468 /nfs/dbraw/zinc/51/44/68/387514468.db2.gz LITCSALNMRXDPH-UHFFFAOYSA-N 0 0 235.211 2.572 20 5 BFBDRN CC/C=C/CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000295909811 387489473 /nfs/dbraw/zinc/48/94/73/387489473.db2.gz HTNGKKLEKPPYAK-SNAWJCMRSA-N 0 0 248.282 2.599 20 5 BFBDRN Cn1cnc([N+](=O)[O-])c1CSc1ccccc1 ZINC000356595193 387679558 /nfs/dbraw/zinc/67/95/58/387679558.db2.gz NQWCDBFBCPLWQB-UHFFFAOYSA-N 0 0 249.295 2.621 20 5 BFBDRN Cc1nn(Cc2cc(C)cc(C)c2)cc1[N+](=O)[O-] ZINC000181829069 177902811 /nfs/dbraw/zinc/90/28/11/177902811.db2.gz JEIJJQMDTKMZMJ-UHFFFAOYSA-N 0 0 245.282 2.765 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(NCC[C@@H](C)F)n1 ZINC000338753769 177876055 /nfs/dbraw/zinc/87/60/55/177876055.db2.gz JPRVKFUAFDYFBI-MRVPVSSYSA-N 0 0 241.266 2.767 20 5 BFBDRN CC[C@@H](C)Oc1ncc([N+](=O)[O-])cc1Cl ZINC001226254984 974840094 /nfs/dbraw/zinc/84/00/94/974840094.db2.gz GTAIHKWVQVSVPY-ZCFIWIBFSA-N 0 0 230.651 2.821 20 5 BFBDRN O=Cc1ccc(O[C@H]2C=CCCC2)c([N+](=O)[O-])c1 ZINC000169226124 388085666 /nfs/dbraw/zinc/08/56/66/388085666.db2.gz LJXINBKSGYVAHJ-NSHDSACASA-N 0 0 247.250 2.895 20 5 BFBDRN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000037081092 388098804 /nfs/dbraw/zinc/09/88/04/388098804.db2.gz FYDZUSBYPJKNMZ-UHFFFAOYSA-N 0 0 240.690 2.842 20 5 BFBDRN C[C@H](CNc1ccc([N+](=O)[O-])nc1)CC(F)F ZINC000591965884 388144784 /nfs/dbraw/zinc/14/47/84/388144784.db2.gz UIXBYIXGJJBJNI-ZETCQYMHSA-N 0 0 245.229 2.693 20 5 BFBDRN CCN(CCSC)c1ccsc1[N+](=O)[O-] ZINC000592000369 388145220 /nfs/dbraw/zinc/14/52/20/388145220.db2.gz KSYZWKWHBQHOBO-UHFFFAOYSA-N 0 0 246.357 2.846 20 5 BFBDRN Cc1ccc(OCC2CC2)cc1[N+](=O)[O-] ZINC000131587060 388347026 /nfs/dbraw/zinc/34/70/26/388347026.db2.gz NIRHPYIZGJDJAC-UHFFFAOYSA-N 0 0 207.229 2.692 20 5 BFBDRN Cc1nc(N(C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000132542491 388361327 /nfs/dbraw/zinc/36/13/27/388361327.db2.gz MTGKWVUKCPKFAD-UHFFFAOYSA-N 0 0 247.254 2.528 20 5 BFBDRN Cc1cnccc1CNc1ccccc1[N+](=O)[O-] ZINC000228701978 388387328 /nfs/dbraw/zinc/38/73/28/388387328.db2.gz RSOFHJKVINBJTB-UHFFFAOYSA-N 0 0 243.266 2.910 20 5 BFBDRN Cc1cnc(N(C)[C@H](C)C2CCC2)c([N+](=O)[O-])c1 ZINC000356796780 388390560 /nfs/dbraw/zinc/39/05/60/388390560.db2.gz OYZPKNYRGCASCD-SNVBAGLBSA-N 0 0 249.314 2.923 20 5 BFBDRN CCOCCCCNc1ccccc1[N+](=O)[O-] ZINC000194072463 388476969 /nfs/dbraw/zinc/47/69/69/388476969.db2.gz LBQMDEDDSYQYGB-UHFFFAOYSA-N 0 0 238.287 2.823 20 5 BFBDRN Cc1nn(CCc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000272336111 388407272 /nfs/dbraw/zinc/40/72/72/388407272.db2.gz GIMSRAZBCSPGKU-UHFFFAOYSA-N 0 0 245.282 2.651 20 5 BFBDRN C[C@]1(CNc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000094804799 388411426 /nfs/dbraw/zinc/41/14/26/388411426.db2.gz MTJCJWIXKXUYSI-GFCCVEGCSA-N 0 0 236.271 2.576 20 5 BFBDRN Cc1c(C(=O)N2CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000173136135 388414411 /nfs/dbraw/zinc/41/44/11/388414411.db2.gz FEQJYMQTTRGAGX-VIFPVBQESA-N 0 0 248.282 2.528 20 5 BFBDRN CC/C(C)=C/C(=O)N(C)c1cccc([N+](=O)[O-])c1 ZINC000297816084 388418859 /nfs/dbraw/zinc/41/88/59/388418859.db2.gz ODUVPEUWZZHMOC-CSKARUKUSA-N 0 0 248.282 2.914 20 5 BFBDRN O=[N+]([O-])c1cc(Cl)ccc1Nc1cn[nH]c1 ZINC000301099851 388422338 /nfs/dbraw/zinc/42/23/38/388422338.db2.gz SUEOHWBXFGOGLZ-UHFFFAOYSA-N 0 0 238.634 2.715 20 5 BFBDRN CSCCCOc1ccc(F)cc1[N+](=O)[O-] ZINC000174137665 388435812 /nfs/dbraw/zinc/43/58/12/388435812.db2.gz YEIVXVNTGWPJJV-UHFFFAOYSA-N 0 0 245.275 2.866 20 5 BFBDRN CO[C@H](C)[C@H](C)Nc1ccc([N+](=O)[O-])cc1F ZINC000161248175 388509652 /nfs/dbraw/zinc/50/96/52/388509652.db2.gz GWXUGKCOCXYZQK-JGVFFNPUSA-N 0 0 242.250 2.569 20 5 BFBDRN CO[C@@H](C)[C@H](C)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000161248843 388509739 /nfs/dbraw/zinc/50/97/39/388509739.db2.gz PBNFSDPIZBGNCY-UWVGGRQHSA-N 0 0 238.287 2.739 20 5 BFBDRN CO[C@H](C)[C@@H](C)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000161248755 388509768 /nfs/dbraw/zinc/50/97/68/388509768.db2.gz PBNFSDPIZBGNCY-NXEZZACHSA-N 0 0 238.287 2.739 20 5 BFBDRN CC[C@@H](C)CN(CC)c1ncccc1[N+](=O)[O-] ZINC000301484961 388594054 /nfs/dbraw/zinc/59/40/54/388594054.db2.gz GXLASOJLPYLWAS-SNVBAGLBSA-N 0 0 237.303 2.862 20 5 BFBDRN Cc1ccc(Oc2ccc([N+](=O)[O-])c(C)n2)cn1 ZINC000301615570 388607696 /nfs/dbraw/zinc/60/76/96/388607696.db2.gz BMFHKKHMDRPHIQ-UHFFFAOYSA-N 0 0 245.238 2.794 20 5 BFBDRN CC[C@@H](COc1c(F)cccc1[N+](=O)[O-])OC ZINC000416903461 388672085 /nfs/dbraw/zinc/67/20/85/388672085.db2.gz FVJUFZIIFXWXPS-QMMMGPOBSA-N 0 0 243.234 2.538 20 5 BFBDRN CC[C@H](COc1c(F)cccc1[N+](=O)[O-])OC ZINC000416903460 388672100 /nfs/dbraw/zinc/67/21/00/388672100.db2.gz FVJUFZIIFXWXPS-MRVPVSSYSA-N 0 0 243.234 2.538 20 5 BFBDRN CC[C@@H](COc1cc([N+](=O)[O-])ccc1C)OC ZINC000416914597 388672234 /nfs/dbraw/zinc/67/22/34/388672234.db2.gz OVMZRADZQZPOMF-NSHDSACASA-N 0 0 239.271 2.707 20 5 BFBDRN Cc1ccc(OCC(=O)C(C)C)c([N+](=O)[O-])c1 ZINC000113418908 388675211 /nfs/dbraw/zinc/67/52/11/388675211.db2.gz RVCWIGFYHUKCPL-UHFFFAOYSA-N 0 0 237.255 2.507 20 5 BFBDRN CC(C)CN(C)c1ccc([N+](=O)[O-])s1 ZINC000065945648 388679655 /nfs/dbraw/zinc/67/96/55/388679655.db2.gz JFHCMYAVLXXFKR-UHFFFAOYSA-N 0 0 214.290 2.749 20 5 BFBDRN O=[N+]([O-])c1ccc(COc2ccccn2)cc1 ZINC000066060015 388680450 /nfs/dbraw/zinc/68/04/50/388680450.db2.gz WBBAAPNHRVDGFG-UHFFFAOYSA-N 0 0 230.223 2.569 20 5 BFBDRN CC[C@@H](C)C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000078500929 388681979 /nfs/dbraw/zinc/68/19/79/388681979.db2.gz SBQCHDDHZFCJLV-SECBINFHSA-N 0 0 236.271 2.604 20 5 BFBDRN CC1(CNc2ccncc2[N+](=O)[O-])CCCC1 ZINC000066468098 388683479 /nfs/dbraw/zinc/68/34/79/388683479.db2.gz CKYHXYBFNXMSQI-UHFFFAOYSA-N 0 0 235.287 2.982 20 5 BFBDRN Cc1cnc(CNc2ccc([N+](=O)[O-])cc2)o1 ZINC000091485319 388632070 /nfs/dbraw/zinc/63/20/70/388632070.db2.gz WXSFNYNZVJVQIR-UHFFFAOYSA-N 0 0 233.227 2.503 20 5 BFBDRN COCc1cc([N+](=O)[O-])ccc1NC1CC=CC1 ZINC000301651044 388657613 /nfs/dbraw/zinc/65/76/13/388657613.db2.gz PZILUOHVFYFJEV-UHFFFAOYSA-N 0 0 248.282 2.872 20 5 BFBDRN CC[C@@H](C)CSCCn1cc([N+](=O)[O-])cn1 ZINC000123888916 388737225 /nfs/dbraw/zinc/73/72/25/388737225.db2.gz WIWNGNQCTOAMPX-SECBINFHSA-N 0 0 243.332 2.571 20 5 BFBDRN O=[N+]([O-])c1cc(F)cc(OCc2cccnc2)c1 ZINC000328529148 388737319 /nfs/dbraw/zinc/73/73/19/388737319.db2.gz WHZXTKAUXVIMIF-UHFFFAOYSA-N 0 0 248.213 2.708 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(NOCC(C)C)c1 ZINC000276191496 388738349 /nfs/dbraw/zinc/73/83/49/388738349.db2.gz HABPNNADLVMLSF-UHFFFAOYSA-N 0 0 224.260 2.903 20 5 BFBDRN C/C=C(/C)C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000154591657 388738365 /nfs/dbraw/zinc/73/83/65/388738365.db2.gz JIVUAUMPLBVQHE-WTKPLQERSA-N 0 0 234.255 2.524 20 5 BFBDRN CCCc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000278265880 388752487 /nfs/dbraw/zinc/75/24/87/388752487.db2.gz VGFGHEBDNFDBRS-UHFFFAOYSA-N 0 0 239.256 2.659 20 5 BFBDRN CSCCCCNc1ccc([N+](=O)[O-])cn1 ZINC000124702751 388753282 /nfs/dbraw/zinc/75/32/82/388753282.db2.gz AYZQLBLFNKHMDF-UHFFFAOYSA-N 0 0 241.316 2.545 20 5 BFBDRN CC1(C)C[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000299074968 388687971 /nfs/dbraw/zinc/68/79/71/388687971.db2.gz WAYLTXDKKHWKND-SNVBAGLBSA-N 0 0 249.270 2.515 20 5 BFBDRN CC[C@H](C)CNc1ncc([N+](=O)[O-])cc1C ZINC000054473957 388689116 /nfs/dbraw/zinc/68/91/16/388689116.db2.gz LVWBXEMNDJOYNW-QMMMGPOBSA-N 0 0 223.276 2.756 20 5 BFBDRN Cc1ccnc(N[C@@H]2C[C@H]2C2CCC2)c1[N+](=O)[O-] ZINC000425270482 388702183 /nfs/dbraw/zinc/70/21/83/388702183.db2.gz GKVXCDWDYPFJQI-WDEREUQCSA-N 0 0 247.298 2.899 20 5 BFBDRN Cc1ccnc(N2CC3(C2)CCCC3)c1[N+](=O)[O-] ZINC000373601524 388711169 /nfs/dbraw/zinc/71/11/69/388711169.db2.gz OSOYHKFPIGNDOG-UHFFFAOYSA-N 0 0 247.298 2.679 20 5 BFBDRN O=[N+]([O-])c1ccccc1NCCCOC(F)F ZINC000193620096 388711184 /nfs/dbraw/zinc/71/11/84/388711184.db2.gz PSZTYXAPWOQWBF-UHFFFAOYSA-N 0 0 246.213 2.636 20 5 BFBDRN C[C@@H](Cn1cnc([N+](=O)[O-])c1)c1ccccc1 ZINC000116611572 388713469 /nfs/dbraw/zinc/71/34/69/388713469.db2.gz ZWANMMASUYWIOT-JTQLQIEISA-N 0 0 231.255 2.595 20 5 BFBDRN O=[N+]([O-])c1ccc(NCCc2ccc[nH]2)c(F)c1 ZINC000301980949 388725781 /nfs/dbraw/zinc/72/57/81/388725781.db2.gz GXZVSZGFICIQHA-UHFFFAOYSA-N 0 0 249.245 2.717 20 5 BFBDRN C[C@@H]1CC[C@H](C)N1C(=O)c1ccccc1[N+](=O)[O-] ZINC000161690915 388728110 /nfs/dbraw/zinc/72/81/10/388728110.db2.gz HOZRRHHNBOUGSH-AOOOYVTPSA-N 0 0 248.282 2.608 20 5 BFBDRN CCc1cccc(Cn2cc(C)c([N+](=O)[O-])n2)c1 ZINC000281270673 388795901 /nfs/dbraw/zinc/79/59/01/388795901.db2.gz WFLDUHUDVPLWNF-UHFFFAOYSA-N 0 0 245.282 2.710 20 5 BFBDRN CN(CCC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000301250191 388803326 /nfs/dbraw/zinc/80/33/26/388803326.db2.gz IZNRGTFGYZJUFI-UHFFFAOYSA-N 0 0 248.204 2.983 20 5 BFBDRN CC(C)[C@H](C)N(C)c1ncc([N+](=O)[O-])s1 ZINC000281834329 388808122 /nfs/dbraw/zinc/80/81/22/388808122.db2.gz HOZPAXJALBYNHJ-ZETCQYMHSA-N 0 0 229.305 2.532 20 5 BFBDRN CNc1cc(Br)cc([N+](=O)[O-])c1C ZINC000280295334 388781275 /nfs/dbraw/zinc/78/12/75/388781275.db2.gz APVZBWMWOMHYGE-UHFFFAOYSA-N 0 0 245.076 2.707 20 5 BFBDRN CCc1ccccc1Cn1cc(C)c([N+](=O)[O-])n1 ZINC000282341402 388814897 /nfs/dbraw/zinc/81/48/97/388814897.db2.gz WADGVBPOVZHKAC-UHFFFAOYSA-N 0 0 245.282 2.710 20 5 BFBDRN CC(C)=CCOc1ncc(C)cc1[N+](=O)[O-] ZINC000284386071 388827212 /nfs/dbraw/zinc/82/72/12/388827212.db2.gz YNWJFKNMXLCHNG-UHFFFAOYSA-N 0 0 222.244 2.643 20 5 BFBDRN CCSCCSc1ncccc1[N+](=O)[O-] ZINC000126537589 388827264 /nfs/dbraw/zinc/82/72/64/388827264.db2.gz ROMLAHGFOTVMSZ-UHFFFAOYSA-N 0 0 244.341 2.835 20 5 BFBDRN O=[N+]([O-])c1cccc(NCCCCF)c1 ZINC000285050429 388833093 /nfs/dbraw/zinc/83/30/93/388833093.db2.gz FVEJGKRKUCCDQM-UHFFFAOYSA-N 0 0 212.224 2.756 20 5 BFBDRN CN(C[C@H]1CC=CCC1)c1ncccc1[N+](=O)[O-] ZINC000302199565 388838682 /nfs/dbraw/zinc/83/86/82/388838682.db2.gz YRRZRDPDIQBUQA-NSHDSACASA-N 0 0 247.298 2.782 20 5 BFBDRN CCCc1ccc(Cn2cnc([N+](=O)[O-])c2)cc1 ZINC000194777164 388884985 /nfs/dbraw/zinc/88/49/85/388884985.db2.gz OITKBIAGVCZWFH-UHFFFAOYSA-N 0 0 245.282 2.792 20 5 BFBDRN Cc1c(OC(=O)C=C2CCC2)cccc1[N+](=O)[O-] ZINC000126781704 177624263 /nfs/dbraw/zinc/62/42/63/177624263.db2.gz YTQBGAHJXVWDLW-UHFFFAOYSA-N 0 0 247.250 2.919 20 5 BFBDRN CCC(=O)COc1cc([N+](=O)[O-])ccc1Cl ZINC000069635352 168209211 /nfs/dbraw/zinc/20/92/11/168209211.db2.gz TXJWPGQADDBZFK-UHFFFAOYSA-N 0 0 243.646 2.606 20 5 BFBDRN COC[C@H](C)SCc1ccc([N+](=O)[O-])cc1 ZINC000173877556 322817636 /nfs/dbraw/zinc/81/76/36/322817636.db2.gz HBPMFSLYXMIAHP-VIFPVBQESA-N 0 0 241.312 2.863 20 5 BFBDRN C[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)[C@H]1C ZINC000266187827 132184253 /nfs/dbraw/zinc/18/42/53/132184253.db2.gz AVXSWOREVURFGS-UWVGGRQHSA-N 0 0 235.287 2.615 20 5 BFBDRN Cc1cnc(N2CCC[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000266215989 132185208 /nfs/dbraw/zinc/18/52/08/132185208.db2.gz OWNPDHAKXUTYHL-QWRGUYRKSA-N 0 0 249.314 2.923 20 5 BFBDRN O=[N+]([O-])c1cccnc1N1CCC[C@@H]2CCC[C@H]21 ZINC000266278956 132186198 /nfs/dbraw/zinc/18/61/98/132186198.db2.gz SSHHJWKQQLPSNS-WDEREUQCSA-N 0 0 247.298 2.759 20 5 BFBDRN Cc1nc(N2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000268439371 132192409 /nfs/dbraw/zinc/19/24/09/132192409.db2.gz CTQMHGXFWVPYBK-VIFPVBQESA-N 0 0 235.287 2.677 20 5 BFBDRN CCC1CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000268441721 132192552 /nfs/dbraw/zinc/19/25/52/132192552.db2.gz DBBIOYUMAGWONU-UHFFFAOYSA-N 0 0 249.314 2.925 20 5 BFBDRN Cc1nc(N2CC[C@H](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000270951963 132198368 /nfs/dbraw/zinc/19/83/68/132198368.db2.gz MGLQFVMUDIJUFP-UWVGGRQHSA-N 0 0 249.314 2.781 20 5 BFBDRN Cc1ccnc(N2CCCC3(CC3)C2)c1[N+](=O)[O-] ZINC000274521681 132203185 /nfs/dbraw/zinc/20/31/85/132203185.db2.gz WSBJBRNZSFOGHC-UHFFFAOYSA-N 0 0 247.298 2.679 20 5 BFBDRN Cc1cccc(N2CCC=C(F)C2)c1[N+](=O)[O-] ZINC000278747699 132208264 /nfs/dbraw/zinc/20/82/64/132208264.db2.gz MLERHMIWAJWSFA-UHFFFAOYSA-N 0 0 236.246 2.967 20 5 BFBDRN CC1=CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000280756816 132210818 /nfs/dbraw/zinc/21/08/18/132210818.db2.gz MYQWCKRWQCEMBR-UHFFFAOYSA-N 0 0 218.256 2.751 20 5 BFBDRN Cc1nc(N2CCC(C)=C(C)C2)ccc1[N+](=O)[O-] ZINC000280996861 132211350 /nfs/dbraw/zinc/21/13/50/132211350.db2.gz NRHLGADOAOIVGP-UHFFFAOYSA-N 0 0 247.298 2.845 20 5 BFBDRN O=[N+]([O-])c1cccnc1N1CCC[C@H](C2CC2)C1 ZINC000288310193 132216554 /nfs/dbraw/zinc/21/65/54/132216554.db2.gz TWHIFUBFTFTAGR-NSHDSACASA-N 0 0 247.298 2.616 20 5 BFBDRN Cc1cc(N2CCCCO2)c(F)cc1[N+](=O)[O-] ZINC000292666649 132219244 /nfs/dbraw/zinc/21/92/44/132219244.db2.gz QELYEYJRKYTKKD-UHFFFAOYSA-N 0 0 240.234 2.574 20 5 BFBDRN C[C@@H]1CCCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000341266008 132226102 /nfs/dbraw/zinc/22/61/02/132226102.db2.gz RDTYAIKTEVCUBC-SECBINFHSA-N 0 0 238.262 2.970 20 5 BFBDRN C[C@@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000048567878 132227834 /nfs/dbraw/zinc/22/78/34/132227834.db2.gz DSBXFXHOAVSIKR-SECBINFHSA-N 0 0 238.262 2.970 20 5 BFBDRN Cc1nc(N2CC(C)=C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000362364552 132281031 /nfs/dbraw/zinc/28/10/31/132281031.db2.gz IOSWKVMCONVCRC-VIFPVBQESA-N 0 0 247.298 2.701 20 5 BFBDRN Cc1cnc(N2CC(C)=C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000362376547 132281215 /nfs/dbraw/zinc/28/12/15/132281215.db2.gz RTCVIZFBFSTSPB-JTQLQIEISA-N 0 0 247.298 2.701 20 5 BFBDRN Cc1cnc(N2CCCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000172808205 132446282 /nfs/dbraw/zinc/44/62/82/132446282.db2.gz AWTCDIBXTRZKLE-UHFFFAOYSA-N 0 0 249.314 2.925 20 5 BFBDRN CC[C@@H](C)COc1ncc(C)cc1[N+](=O)[O-] ZINC000088501077 133554963 /nfs/dbraw/zinc/55/49/63/133554963.db2.gz KPCUHKAKLGJQMI-MRVPVSSYSA-N 0 0 224.260 2.723 20 5 BFBDRN O=[N+]([O-])c1ccccc1S[C@@H]1CCCOC1 ZINC000334246281 133593633 /nfs/dbraw/zinc/59/36/33/133593633.db2.gz SWRPGOFEBVYHPP-SECBINFHSA-N 0 0 239.296 2.866 20 5 BFBDRN CCc1noc(/C=C\c2cccc([N+](=O)[O-])c2)n1 ZINC000345434857 133770067 /nfs/dbraw/zinc/77/00/67/133770067.db2.gz FHYPZNSIPXRMHB-SREVYHEPSA-N 0 0 245.238 2.711 20 5 BFBDRN COc1ccc(OC2CCCC2)c([N+](=O)[O-])c1 ZINC000183238036 134352823 /nfs/dbraw/zinc/35/28/23/134352823.db2.gz SMRXQAJRHAMSCW-UHFFFAOYSA-N 0 0 237.255 2.925 20 5 BFBDRN C[C@H]1C[C@@H]1CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000227888248 134398108 /nfs/dbraw/zinc/39/81/08/134398108.db2.gz ULNVRRXDZBMCAR-NKWVEPMBSA-N 0 0 242.225 2.941 20 5 BFBDRN Cc1nc(N[C@@H](C)CC2CC2)ccc1[N+](=O)[O-] ZINC000150829144 134456072 /nfs/dbraw/zinc/45/60/72/134456072.db2.gz FKRQTIDKSOJVCG-QMMMGPOBSA-N 0 0 235.287 2.899 20 5 BFBDRN O=[N+]([O-])c1ccccc1NCCC(F)(F)F ZINC000063100563 134505946 /nfs/dbraw/zinc/50/59/46/134505946.db2.gz DCUZMJRPVJFMBK-UHFFFAOYSA-N 0 0 234.177 2.959 20 5 BFBDRN C[C@@H]1CCC[C@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000230691456 134523143 /nfs/dbraw/zinc/52/31/43/134523143.db2.gz KVLGRMJJFXLXCS-ZJUUUORDSA-N 0 0 235.287 2.838 20 5 BFBDRN O=[N+]([O-])c1cc(Cl)cnc1N1CCCCC1 ZINC000153500111 134638226 /nfs/dbraw/zinc/63/82/26/134638226.db2.gz NLKNVZYZIIMAJM-UHFFFAOYSA-N 0 0 241.678 2.634 20 5 BFBDRN C[C@@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000070832693 134924350 /nfs/dbraw/zinc/92/43/50/134924350.db2.gz ZOVBGSXMVSOOQZ-PSASIEDQSA-N 0 0 221.260 2.590 20 5 BFBDRN C[C@@H]1OCC[C@@]1(C)Nc1ccc([N+](=O)[O-])cc1 ZINC000230099854 135019845 /nfs/dbraw/zinc/01/98/45/135019845.db2.gz UMKRAJHFVNVYAA-JOYOIKCWSA-N 0 0 236.271 2.574 20 5 BFBDRN CCCCC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000078148647 135094706 /nfs/dbraw/zinc/09/47/06/135094706.db2.gz MPFUXHKTQFYWNO-UHFFFAOYSA-N 0 0 248.282 2.674 20 5 BFBDRN C[C@@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])CS1 ZINC000086935050 135102812 /nfs/dbraw/zinc/10/28/12/135102812.db2.gz QYEUSFXZKTWWPJ-BDAKNGLRSA-N 0 0 238.312 2.901 20 5 BFBDRN CC[C@H](COC)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000079713369 135355734 /nfs/dbraw/zinc/35/57/34/135355734.db2.gz GHSAVRGLLCQAOX-SNVBAGLBSA-N 0 0 238.287 2.740 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](F)C2)c1 ZINC000343065405 135355748 /nfs/dbraw/zinc/35/57/48/135355748.db2.gz KVUAAASFTQYKNZ-JTQLQIEISA-N 0 0 238.262 2.842 20 5 BFBDRN Cc1ncc([N+](=O)[O-])n1CCc1ccc(C)cc1 ZINC000346612653 135943185 /nfs/dbraw/zinc/94/31/85/135943185.db2.gz PNBHUDJUKLZHCM-UHFFFAOYSA-N 0 0 245.282 2.651 20 5 BFBDRN CC[C@H](C)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000348025489 136026800 /nfs/dbraw/zinc/02/68/00/136026800.db2.gz XTPBHMLJEKLPPJ-ZETCQYMHSA-N 0 0 240.234 2.719 20 5 BFBDRN O=[N+]([O-])c1ccccc1N[C@H]1C[C@@H]1C(F)F ZINC000348218589 136046697 /nfs/dbraw/zinc/04/66/97/136046697.db2.gz LDYIHOXYANGNBU-XPUUQOCRSA-N 0 0 228.198 2.660 20 5 BFBDRN CCN(CC(F)F)c1ccc(F)cc1[N+](=O)[O-] ZINC000302130627 169740009 /nfs/dbraw/zinc/74/00/09/169740009.db2.gz KBCMFSGPGPNGBU-UHFFFAOYSA-N 0 0 248.204 2.825 20 5 BFBDRN CCN(CC)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285964658 397942447 /nfs/dbraw/zinc/94/24/47/397942447.db2.gz KYFYPWBDVJFFCH-UHFFFAOYSA-N 0 0 244.241 2.715 20 5 BFBDRN O=[N+]([O-])c1cc(F)ccc1NCc1ccccn1 ZINC000034979410 397960666 /nfs/dbraw/zinc/96/06/66/397960666.db2.gz KIRMXHTYSUHDHD-UHFFFAOYSA-N 0 0 247.229 2.741 20 5 BFBDRN CCC[C@H](CC)Nc1ncc([N+](=O)[O-])c(C)n1 ZINC000295648117 398009743 /nfs/dbraw/zinc/00/97/43/398009743.db2.gz ZAPRANPBVGVGDY-VIFPVBQESA-N 0 0 238.291 2.684 20 5 BFBDRN CC[C@@H](C)[C@@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000042417178 398014904 /nfs/dbraw/zinc/01/49/04/398014904.db2.gz VQTUZOXDSMYIHU-RKDXNWHRSA-N 0 0 223.276 2.836 20 5 BFBDRN Cc1ccc(C(=O)N2CCC2(C)C)cc1[N+](=O)[O-] ZINC000610116671 398056092 /nfs/dbraw/zinc/05/60/92/398056092.db2.gz NKRKMXXPWORZEF-UHFFFAOYSA-N 0 0 248.282 2.528 20 5 BFBDRN 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CC(C)OCCNc1ccc(F)cc1[N+](=O)[O-] ZINC000168646307 167247387 /nfs/dbraw/zinc/24/73/87/167247387.db2.gz UUEXPKBJMKPNAK-UHFFFAOYSA-N 0 0 242.250 2.571 20 5 BFBDRN CC(C)SCCNc1ncc([N+](=O)[O-])s1 ZINC000286275400 167333550 /nfs/dbraw/zinc/33/35/50/167333550.db2.gz DSAQSGCOGCAWON-UHFFFAOYSA-N 0 0 247.345 2.605 20 5 BFBDRN Cc1cnc(N2[C@H](C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000301612539 411132828 /nfs/dbraw/zinc/13/28/28/411132828.db2.gz GCHFQKVRSUHDEL-AOOOYVTPSA-N 0 0 235.287 2.675 20 5 BFBDRN CC1(CNc2ccc([N+](=O)[O-])cn2)CCC1 ZINC000226808896 168048481 /nfs/dbraw/zinc/04/84/81/168048481.db2.gz RBHDVFXGECUMKG-UHFFFAOYSA-N 0 0 221.260 2.592 20 5 BFBDRN CC1(CNc2cc(N)ccc2[N+](=O)[O-])CCC1 ZINC000193466247 168047145 /nfs/dbraw/zinc/04/71/45/168047145.db2.gz JKWJZVFGNVKFIU-UHFFFAOYSA-N 0 0 235.287 2.779 20 5 BFBDRN CC1(C)[C@@H]2CN(c3sccc3[N+](=O)[O-])C[C@@H]21 ZINC000302045840 168013223 /nfs/dbraw/zinc/01/32/23/168013223.db2.gz YDNTYHJYWWAKMV-OCAPTIKFSA-N 0 0 238.312 2.749 20 5 BFBDRN CC1(CCNc2ncccc2[N+](=O)[O-])CC1 ZINC000281485797 168022676 /nfs/dbraw/zinc/02/26/76/168022676.db2.gz NRUGDKNRADMIHD-UHFFFAOYSA-N 0 0 221.260 2.592 20 5 BFBDRN CC1(Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCC1 ZINC000168129852 168065115 /nfs/dbraw/zinc/06/51/15/168065115.db2.gz QKKQYHKBYGOKGE-UHFFFAOYSA-N 0 0 246.270 2.826 20 5 BFBDRN CC1CC(Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000163745572 168148200 /nfs/dbraw/zinc/14/82/00/168148200.db2.gz FRUDIIZBIWDZSD-UHFFFAOYSA-N 0 0 246.270 2.682 20 5 BFBDRN CC1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000020547419 168165534 /nfs/dbraw/zinc/16/55/34/168165534.db2.gz IPEVXCLLKZDFHZ-UHFFFAOYSA-N 0 0 235.287 2.980 20 5 BFBDRN CC1CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC000020003872 168165762 /nfs/dbraw/zinc/16/57/62/168165762.db2.gz NECWEKUACKPQHT-UHFFFAOYSA-N 0 0 235.287 2.980 20 5 BFBDRN CCC(C)(C)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000131239627 168302403 /nfs/dbraw/zinc/30/24/03/168302403.db2.gz FNHGANKXWLIRMV-UHFFFAOYSA-N 0 0 223.276 2.899 20 5 BFBDRN CCC(C)(C)Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000135069636 168303288 /nfs/dbraw/zinc/30/32/88/168303288.db2.gz OGJAIWZGIPKPRJ-UHFFFAOYSA-N 0 0 223.276 2.899 20 5 BFBDRN Cc1ccnc(Oc2cc([N+](=O)[O-])ccc2C)n1 ZINC000301295951 411437397 /nfs/dbraw/zinc/43/73/97/411437397.db2.gz XMXFPWNVRKJCLF-UHFFFAOYSA-N 0 0 245.238 2.794 20 5 BFBDRN CC[C@@H](C)CN(C)c1ncc([N+](=O)[O-])cc1C ZINC000301300193 411437756 /nfs/dbraw/zinc/43/77/56/411437756.db2.gz ZRSDLQMAPWENRW-SECBINFHSA-N 0 0 237.303 2.781 20 5 BFBDRN CCSCCNc1cc(F)cc([N+](=O)[O-])c1 ZINC000336679068 170639134 /nfs/dbraw/zinc/63/91/34/170639134.db2.gz XARNDBHWNUFUEZ-UHFFFAOYSA-N 0 0 244.291 2.899 20 5 BFBDRN CC[C@@H](C)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000094771628 170761064 /nfs/dbraw/zinc/76/10/64/170761064.db2.gz FEMHGKKYUBMHJC-SSDOTTSWSA-N 0 0 234.259 2.682 20 5 BFBDRN CC[C@@H](C)Nc1nc(Cl)nc(C)c1[N+](=O)[O-] ZINC000004243402 170761125 /nfs/dbraw/zinc/76/11/25/170761125.db2.gz AKDJKECUBLKZTL-RXMQYKEDSA-N 0 0 244.682 2.557 20 5 BFBDRN CC[C@@H](Nc1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000292846692 170916808 /nfs/dbraw/zinc/91/68/08/170916808.db2.gz QXRNBZPKHADDLA-LLVKDONJSA-N 0 0 238.287 2.556 20 5 BFBDRN CC[C@@H]1C[C@@H]1Nc1nccc(C)c1[N+](=O)[O-] ZINC000227116767 171124883 /nfs/dbraw/zinc/12/48/83/171124883.db2.gz QCOGJKZPVWATQO-BDAKNGLRSA-N 0 0 221.260 2.509 20 5 BFBDRN CC[C@@H]1[C@@H](C)CCN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000274745469 171158560 /nfs/dbraw/zinc/15/85/60/171158560.db2.gz OJWVCRPEWGTPGV-GXSJLCMTSA-N 0 0 249.314 2.923 20 5 BFBDRN CC[C@H](C)CN(C)c1ncc([N+](=O)[O-])cc1C ZINC000301300619 171275431 /nfs/dbraw/zinc/27/54/31/171275431.db2.gz ZRSDLQMAPWENRW-VIFPVBQESA-N 0 0 237.303 2.781 20 5 BFBDRN CC[C@H](C)CON=c1[nH]ccc(C)c1[N+](=O)[O-] ZINC000291837927 171291477 /nfs/dbraw/zinc/29/14/77/171291477.db2.gz LOGVJIIGYPEQNB-QMMMGPOBSA-N 0 0 239.275 2.688 20 5 BFBDRN CC[C@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000248230638 171304690 /nfs/dbraw/zinc/30/46/90/171304690.db2.gz KUMLXSJEBTZNGL-ZETCQYMHSA-N 0 0 242.300 2.527 20 5 BFBDRN CC[C@H](C)Nc1cc(OC)c([N+](=O)[O-])cc1F ZINC000218836345 171349398 /nfs/dbraw/zinc/34/93/98/171349398.db2.gz JAWCNYGKAXDISM-ZETCQYMHSA-N 0 0 242.250 2.953 20 5 BFBDRN CC[C@H](C)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000094771629 171350120 /nfs/dbraw/zinc/35/01/20/171350120.db2.gz FEMHGKKYUBMHJC-ZETCQYMHSA-N 0 0 234.259 2.682 20 5 BFBDRN CC[C@H](C)Nc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000309995886 171350139 /nfs/dbraw/zinc/35/01/39/171350139.db2.gz CDUZCPUIGCPTSD-QMMMGPOBSA-N 0 0 223.276 2.817 20 5 BFBDRN CC[C@H](C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000129750412 171350786 /nfs/dbraw/zinc/35/07/86/171350786.db2.gz PLJUKWYUVRLUBE-LURJTMIESA-N 0 0 229.667 2.854 20 5 BFBDRN CC[C@H](C)[C@H](C)Nc1ncc([N+](=O)[O-])c(C)n1 ZINC000295657065 171392588 /nfs/dbraw/zinc/39/25/88/171392588.db2.gz ZWKOEHQTNAZFDS-YUMQZZPRSA-N 0 0 238.291 2.540 20 5 BFBDRN CC[C@H]1CCN1c1ccc([N+](=O)[O-])c(C)c1 ZINC000292367979 171639479 /nfs/dbraw/zinc/63/94/79/171639479.db2.gz RVZWGHKHZBSXNO-JTQLQIEISA-N 0 0 220.272 2.892 20 5 BFBDRN CCc1cc(CNc2ccccc2[N+](=O)[O-])on1 ZINC000301374421 171759148 /nfs/dbraw/zinc/75/91/48/171759148.db2.gz VDQDOEYCPKXKBB-UHFFFAOYSA-N 0 0 247.254 2.757 20 5 BFBDRN CCc1ccc(OC[C@H](C)OC)c([N+](=O)[O-])c1 ZINC000181000660 171827284 /nfs/dbraw/zinc/82/72/84/171827284.db2.gz MFRCIXDQONUUIR-VIFPVBQESA-N 0 0 239.271 2.571 20 5 BFBDRN CCc1cccc(Nc2ncc([N+](=O)[O-])cn2)c1 ZINC000302150811 171865072 /nfs/dbraw/zinc/86/50/72/171865072.db2.gz KFRWKEDBCFUKPA-UHFFFAOYSA-N 0 0 244.254 2.691 20 5 BFBDRN CCc1nn(C)cc1Nc1ccc([N+](=O)[O-])cc1 ZINC000091506106 172044609 /nfs/dbraw/zinc/04/46/09/172044609.db2.gz LGGOQOKGFVZASQ-UHFFFAOYSA-N 0 0 246.270 2.634 20 5 BFBDRN CN(C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000174179575 172323732 /nfs/dbraw/zinc/32/37/32/172323732.db2.gz NVSYUXOFKHPLMP-UHFFFAOYSA-N 0 0 249.270 2.611 20 5 BFBDRN CN(c1c(F)cc([N+](=O)[O-])cc1F)C1CCC1 ZINC000301785567 172945515 /nfs/dbraw/zinc/94/55/15/172945515.db2.gz LJJSFJPEXXXIDE-UHFFFAOYSA-N 0 0 242.225 2.862 20 5 BFBDRN CN(c1ccc([N+](=O)[O-])cc1)[C@H]1CCSC1 ZINC000180443707 172947866 /nfs/dbraw/zinc/94/78/66/172947866.db2.gz LKKVYUDWFYVEKO-NSHDSACASA-N 0 0 238.312 2.537 20 5 BFBDRN COCCSc1cc(Cl)ccc1[N+](=O)[O-] ZINC000288582865 174376021 /nfs/dbraw/zinc/37/60/21/174376021.db2.gz XOBFYHNQUWGCGB-UHFFFAOYSA-N 0 0 247.703 2.987 20 5 BFBDRN COc1cc(NCCC2CC2)ccc1[N+](=O)[O-] ZINC000088459908 175001429 /nfs/dbraw/zinc/00/14/29/175001429.db2.gz GRPSECLAJUEFLR-UHFFFAOYSA-N 0 0 236.271 2.815 20 5 BFBDRN COc1cc(NCC2CCC2)ccc1[N+](=O)[O-] ZINC000104244972 175001734 /nfs/dbraw/zinc/00/17/34/175001734.db2.gz GASHBNRPNNPABW-UHFFFAOYSA-N 0 0 236.271 2.815 20 5 BFBDRN COc1cc(NCCCCF)ccc1[N+](=O)[O-] ZINC000310322355 175001819 /nfs/dbraw/zinc/00/18/19/175001819.db2.gz ZDYOIAXOEXGNLM-UHFFFAOYSA-N 0 0 242.250 2.765 20 5 BFBDRN COc1cc(NC[C@@H]2C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000159436864 175002236 /nfs/dbraw/zinc/00/22/36/175002236.db2.gz WLRXVJVKBCUJJM-IUCAKERBSA-N 0 0 236.271 2.671 20 5 BFBDRN CSCCOc1cccc(C)c1[N+](=O)[O-] ZINC000091007574 175501402 /nfs/dbraw/zinc/50/14/02/175501402.db2.gz AKHCATLYRAHVDP-UHFFFAOYSA-N 0 0 227.285 2.645 20 5 BFBDRN CSCOc1c(Cl)cccc1[N+](=O)[O-] ZINC000292764304 175509522 /nfs/dbraw/zinc/50/95/22/175509522.db2.gz WVJLLXXLSVMVBF-UHFFFAOYSA-N 0 0 233.676 2.948 20 5 BFBDRN C[C@@H](NC(=O)C1(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000341770487 175825329 /nfs/dbraw/zinc/82/53/29/175825329.db2.gz CZHBJUISCACMRO-SECBINFHSA-N 0 0 248.282 2.572 20 5 BFBDRN C[C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000054614562 176081600 /nfs/dbraw/zinc/08/16/00/176081600.db2.gz MOKUMGDZDGYUPN-KOLCDFICSA-N 0 0 235.287 2.980 20 5 BFBDRN C[C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000021792536 176081644 /nfs/dbraw/zinc/08/16/44/176081644.db2.gz JRPYLOPJQADGJV-KOLCDFICSA-N 0 0 235.287 2.980 20 5 BFBDRN C[C@@H]1CCC[C@@H](Nc2ccncc2[N+](=O)[O-])C1 ZINC000037255986 176123963 /nfs/dbraw/zinc/12/39/63/176123963.db2.gz PIXHMJDYHCZRTO-NXEZZACHSA-N 0 0 235.287 2.980 20 5 BFBDRN C[C@@H]1CCC[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000070833049 176151448 /nfs/dbraw/zinc/15/14/48/176151448.db2.gz NILUGDITNRASGD-RKDXNWHRSA-N 0 0 221.260 2.590 20 5 BFBDRN C[C@@H]1CCC[C@H]1Nc1cc(N)ccc1[N+](=O)[O-] ZINC000282170234 176151453 /nfs/dbraw/zinc/15/14/53/176151453.db2.gz IARNPKBDYQFIBZ-PSASIEDQSA-N 0 0 235.287 2.778 20 5 BFBDRN C[C@@H]1CC[C@@H]1Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000310718477 176218067 /nfs/dbraw/zinc/21/80/67/176218067.db2.gz XFLXSWUMRPEDMI-APPZFPTMSA-N 0 0 246.270 2.682 20 5 BFBDRN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1C ZINC000293535514 176305038 /nfs/dbraw/zinc/30/50/38/176305038.db2.gz XJUBDQYQPZJZCM-RKDXNWHRSA-N 0 0 238.262 2.574 20 5 BFBDRN C[C@H](F)CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000338754603 176741520 /nfs/dbraw/zinc/74/15/20/176741520.db2.gz MOJZKVKVDSEKGA-LURJTMIESA-N 0 0 247.657 2.803 20 5 BFBDRN C[C@H](N(C)c1ccc([N+](=O)[O-])cn1)C1(C)CC1 ZINC000267728884 176745763 /nfs/dbraw/zinc/74/57/63/176745763.db2.gz CNYVCURAEYOTHP-VIFPVBQESA-N 0 0 235.287 2.615 20 5 BFBDRN C[C@H](Nc1ccn(C)n1)c1ccccc1[N+](=O)[O-] ZINC000037560923 176937139 /nfs/dbraw/zinc/93/71/39/176937139.db2.gz GFPFOESEZBHUJX-VIFPVBQESA-N 0 0 246.270 2.501 20 5 BFBDRN C[C@@H](Sc1sccc1[N+](=O)[O-])[C@H](C)O ZINC000302043463 177006768 /nfs/dbraw/zinc/00/67/68/177006768.db2.gz XEANDGOIAYFZTO-NTSWFWBYSA-N 0 0 233.314 2.518 20 5 BFBDRN C[C@H]1CC2(CCC2)CN1c1ccncc1[N+](=O)[O-] ZINC000340939464 177067556 /nfs/dbraw/zinc/06/75/56/177067556.db2.gz ZSHLYPPZFSZHSN-JTQLQIEISA-N 0 0 247.298 2.759 20 5 BFBDRN C[C@H]1CCCCCN1c1ncccc1[N+](=O)[O-] ZINC000301282090 177070646 /nfs/dbraw/zinc/07/06/46/177070646.db2.gz MZCGGBCKCKWASX-JTQLQIEISA-N 0 0 235.287 2.759 20 5 BFBDRN C[C@H]1CCCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000192786145 177105390 /nfs/dbraw/zinc/10/53/90/177105390.db2.gz MOBITADMDMIIGS-JTQLQIEISA-N 0 0 249.314 2.803 20 5 BFBDRN C[C@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000174179859 177107608 /nfs/dbraw/zinc/10/76/08/177107608.db2.gz NCYCXOWOBQPPIS-VIFPVBQESA-N 0 0 249.270 2.611 20 5 BFBDRN C[C@H]1CCCN1c1c(F)cccc1[N+](=O)[O-] ZINC000288491878 177112189 /nfs/dbraw/zinc/11/21/89/177112189.db2.gz RQQLCNPULXTFSW-QMMMGPOBSA-N 0 0 224.235 2.723 20 5 BFBDRN C[C@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000078512081 177125581 /nfs/dbraw/zinc/12/55/81/177125581.db2.gz LKFAKGFSKFRLFL-CABZTGNLSA-N 0 0 248.282 2.513 20 5 BFBDRN C[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C[C@H](C)C1 ZINC000301760114 177171179 /nfs/dbraw/zinc/17/11/79/177171179.db2.gz CAJCKDPOXIRPGY-WDEREUQCSA-N 0 0 249.314 2.862 20 5 BFBDRN C[C@H]1CSC[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000304520081 177306718 /nfs/dbraw/zinc/30/67/18/177306718.db2.gz PFKMHKWGGNEMJK-WPRPVWTQSA-N 0 0 238.312 2.758 20 5 BFBDRN C[C@H]1C[C@H]1CNc1c(F)cccc1[N+](=O)[O-] ZINC000304568272 177381980 /nfs/dbraw/zinc/38/19/80/177381980.db2.gz QWUMXQMDAPMYFP-YUMQZZPRSA-N 0 0 224.235 2.802 20 5 BFBDRN Cc1c(NC(=O)N2CCCC2)cccc1[N+](=O)[O-] ZINC000043348297 177617203 /nfs/dbraw/zinc/61/72/03/177617203.db2.gz NJMFQQJJBZQPOG-UHFFFAOYSA-N 0 0 249.270 2.531 20 5 BFBDRN CN(C(=O)/C=C\C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000492240723 225961812 /nfs/dbraw/zinc/96/18/12/225961812.db2.gz ALHCCLYCELRTRD-FPLPWBNLSA-N 0 0 246.266 2.524 20 5 BFBDRN C[C@@H]1CSC[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000304343789 229348497 /nfs/dbraw/zinc/34/84/97/229348497.db2.gz BSQXMWTUAZWMHT-LDYMZIIASA-N 0 0 238.312 2.758 20 5 BFBDRN CC(C)[C@]1(C)C[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000397289456 262920767 /nfs/dbraw/zinc/92/07/67/262920767.db2.gz KRGXBKNRVZEQKW-PWSUYJOCSA-N 0 0 235.287 2.836 20 5 BFBDRN C[C@@H](SCC[N+](=O)[O-])c1cccs1 ZINC000901493895 584453646 /nfs/dbraw/zinc/45/36/46/584453646.db2.gz NPMNAXJKQOFGTM-SSDOTTSWSA-N 0 0 217.315 2.819 20 5 BFBDRN O=[N+]([O-])c1ccc(NC2CC=CC2)c(F)c1 ZINC000131106689 487904417 /nfs/dbraw/zinc/90/44/17/487904417.db2.gz WHHIBGVOITYWAA-UHFFFAOYSA-N 0 0 222.219 2.864 20 5 BFBDRN CC[C@]1(C)C[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000159871500 323051131 /nfs/dbraw/zinc/05/11/31/323051131.db2.gz QOWJGFSNCCTLQP-WCQYABFASA-N 0 0 248.282 2.970 20 5 BFBDRN CC(C)c1cnn(Cc2cccc([N+](=O)[O-])c2)c1 ZINC000563120158 323094136 /nfs/dbraw/zinc/09/41/36/323094136.db2.gz ULDLSYCRHHRGRL-UHFFFAOYSA-N 0 0 245.282 2.963 20 5 BFBDRN CCC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000132623859 325230734 /nfs/dbraw/zinc/23/07/34/325230734.db2.gz NGYDFAIAWQKAEZ-UHFFFAOYSA-N 0 0 222.244 2.560 20 5 BFBDRN O=[N+]([O-])c1cnc(NCCCC2CC2)c(F)c1 ZINC000564302732 325280380 /nfs/dbraw/zinc/28/03/80/325280380.db2.gz FKIYCODPYLKETM-UHFFFAOYSA-N 0 0 239.250 2.731 20 5 BFBDRN C[C@@H]1C[C@@H]1c1noc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000547183877 325330405 /nfs/dbraw/zinc/33/04/05/325330405.db2.gz ZAUWMUNJDXNCSZ-XCBNKYQSSA-N 0 0 245.238 2.768 20 5 BFBDRN Cc1cc(C(=O)N2CCCCC2)cc([N+](=O)[O-])c1 ZINC000134421167 325358165 /nfs/dbraw/zinc/35/81/65/325358165.db2.gz WBTJIWBCCJSKPE-UHFFFAOYSA-N 0 0 248.282 2.529 20 5 BFBDRN Cc1ccnc(NCc2ccoc2)c1[N+](=O)[O-] ZINC000134679463 325371653 /nfs/dbraw/zinc/37/16/53/325371653.db2.gz UHWZBGOVUTVAEL-UHFFFAOYSA-N 0 0 233.227 2.503 20 5 BFBDRN Cc1cc(NCC2CC(C)(C)C2)ncc1[N+](=O)[O-] ZINC000548365588 325450862 /nfs/dbraw/zinc/45/08/62/325450862.db2.gz HUNUOQPFLIBHNK-UHFFFAOYSA-N 0 0 249.314 2.568 20 5 BFBDRN CC(C)[C@H](C)CNc1ccc([N+](=O)[O-])nc1 ZINC000081070250 325490532 /nfs/dbraw/zinc/49/05/32/325490532.db2.gz RQQJHYQRVRTEPE-SECBINFHSA-N 0 0 223.276 2.694 20 5 BFBDRN CC(=O)CS[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000081273447 325495165 /nfs/dbraw/zinc/49/51/65/325495165.db2.gz FMSGCQJPCUOYCQ-VIFPVBQESA-N 0 0 239.296 2.978 20 5 BFBDRN O=[N+]([O-])c1cccnc1NCC(C1CC1)C1CC1 ZINC000088460369 325658886 /nfs/dbraw/zinc/65/88/86/325658886.db2.gz FCZVZDJGOIRVNU-UHFFFAOYSA-N 0 0 247.298 2.838 20 5 BFBDRN O=[N+]([O-])c1cccc(F)c1N1CCCCCO1 ZINC000568612506 326367383 /nfs/dbraw/zinc/36/73/83/326367383.db2.gz OYFDXCXXMAZGFZ-UHFFFAOYSA-N 0 0 240.234 2.656 20 5 BFBDRN O=[N+]([O-])c1ccc(N2C[C@@H]3CCCC[C@H]3C2)cn1 ZINC000568709887 326372693 /nfs/dbraw/zinc/37/26/93/326372693.db2.gz KTMBFCWDGPMAAW-QWRGUYRKSA-N 0 0 247.298 2.616 20 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BFBDRN CCN(C(=O)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000348304139 535701507 /nfs/dbraw/zinc/70/15/07/535701507.db2.gz FJGALWVJBQTLDO-UHFFFAOYSA-N 0 0 248.282 2.609 20 5 BFBDRN CC[C@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000334248260 536070156 /nfs/dbraw/zinc/07/01/56/536070156.db2.gz XBBFOVZZFMTQTJ-NSHDSACASA-N 0 0 248.282 2.609 20 5 BFBDRN COc1cc(N2CCC=C(C)C2)ccc1[N+](=O)[O-] ZINC000280742951 536825646 /nfs/dbraw/zinc/82/56/46/536825646.db2.gz LIUOZDMEELXRAH-UHFFFAOYSA-N 0 0 248.282 2.760 20 5 BFBDRN CC(=O)c1cc(N[C@@H]2C=CCC2)ccc1[N+](=O)[O-] ZINC000853800166 588764168 /nfs/dbraw/zinc/76/41/68/588764168.db2.gz PFDPMECASHUZHC-SNVBAGLBSA-N 0 0 246.266 2.928 20 5 BFBDRN Cc1cc(N2CC[C@@H]3C[C@@H]32)ccc1[N+](=O)[O-] ZINC000804688064 582526735 /nfs/dbraw/zinc/52/67/35/582526735.db2.gz GXXRSABSCOJQAL-SKDRFNHKSA-N 0 0 218.256 2.502 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CC[C@@H]3C[C@@H]32)c(Cl)c1 ZINC000804690102 582527638 /nfs/dbraw/zinc/52/76/38/582527638.db2.gz YJYNGEVSXZXBLV-HQJQHLMTSA-N 0 0 238.674 2.847 20 5 BFBDRN C[C@H](COC(=O)C1(C)CCCCCC1)[N+](=O)[O-] ZINC000813107801 582584375 /nfs/dbraw/zinc/58/43/75/582584375.db2.gz WUFDKITULYXQRI-SNVBAGLBSA-N 0 0 243.303 2.555 20 5 BFBDRN CCCC[C@H](C(=O)OC[C@@H](C)[N+](=O)[O-])C(C)C ZINC000857029226 588883015 /nfs/dbraw/zinc/88/30/15/588883015.db2.gz KWHCWNMFNAVCQW-MNOVXSKESA-N 0 0 245.319 2.657 20 5 BFBDRN CC1(C)C[C@H]1CNc1ccnc(F)c1[N+](=O)[O-] ZINC000881977701 583589495 /nfs/dbraw/zinc/58/94/95/583589495.db2.gz AWSJIKZZUYBPJG-ZETCQYMHSA-N 0 0 239.250 2.587 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CC[C@@H]2C2CCCC2)nc1 ZINC000897156138 583886252 /nfs/dbraw/zinc/88/62/52/583886252.db2.gz QORNPMGIOWKVAX-GFCCVEGCSA-N 0 0 247.298 2.759 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@@H]2C[C@@H]3CCC[C@@H]23)cn1 ZINC000897177438 583890572 /nfs/dbraw/zinc/89/05/72/583890572.db2.gz PJIIVXIGCVNBGJ-JMJZKYOTSA-N 0 0 233.271 2.590 20 5 BFBDRN Cc1cc(N[C@@H]2C[C@@H]3CCC[C@@H]23)ncc1[N+](=O)[O-] ZINC000897179126 583891071 /nfs/dbraw/zinc/89/10/71/583891071.db2.gz GPJGPHNKUJNFHV-HBNTYKKESA-N 0 0 247.298 2.899 20 5 BFBDRN Nc1ccc(N[C@@H]2C[C@@H]3CCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000897180067 583891117 /nfs/dbraw/zinc/89/11/17/583891117.db2.gz OGIWCGGFNLQVIM-MKPLZMMCSA-N 0 0 247.298 2.778 20 5 BFBDRN Cc1cc(N[C@@H]2C[C@H]3CCC[C@H]32)ncc1[N+](=O)[O-] ZINC000897179125 583891167 /nfs/dbraw/zinc/89/11/67/583891167.db2.gz GPJGPHNKUJNFHV-GMTAPVOTSA-N 0 0 247.298 2.899 20 5 BFBDRN O=[N+]([O-])c1cccnc1N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000897180204 583891917 /nfs/dbraw/zinc/89/19/17/583891917.db2.gz OWMBKBOUBPFZRM-IVZWLZJFSA-N 0 0 233.271 2.590 20 5 BFBDRN CCCCCOc1ccc(N)c([N+](=O)[O-])c1 ZINC000144150486 583926654 /nfs/dbraw/zinc/92/66/54/583926654.db2.gz ZNJZKCWZDVWNET-UHFFFAOYSA-N 0 0 224.260 2.746 20 5 BFBDRN CCC[C@@H](C)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000022977968 583932169 /nfs/dbraw/zinc/93/21/69/583932169.db2.gz XWHZTVQPLZMCBS-SECBINFHSA-N 0 0 248.286 2.843 20 5 BFBDRN CCC(=O)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000116063294 588949705 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ZINC000814743528 586631724 /nfs/dbraw/zinc/63/17/24/586631724.db2.gz JNAJMAMPFHAQGC-UHFFFAOYSA-N 0 0 213.258 2.603 20 5 BFBDRN C[C@H]1CC(C)(C)CN1c1ccc(N)cc1[N+](=O)[O-] ZINC000840374904 586934017 /nfs/dbraw/zinc/93/40/17/586934017.db2.gz CRPKTHXVPAXGAI-VIFPVBQESA-N 0 0 249.314 2.802 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CC(CC(F)F)C2)cc1 ZINC000819950866 587005838 /nfs/dbraw/zinc/00/58/38/587005838.db2.gz XACBRRXRUVSLGN-UHFFFAOYSA-N 0 0 242.225 2.686 20 5 BFBDRN C=C=CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000820586963 587056635 /nfs/dbraw/zinc/05/66/35/587056635.db2.gz ZPGZPOIZYVJKEU-UHFFFAOYSA-N 0 0 226.182 2.626 20 5 BFBDRN C/C(=C/c1ccc([N+](=O)[O-])cc1)c1ncccn1 ZINC000821016907 587088363 /nfs/dbraw/zinc/08/83/63/587088363.db2.gz AKUFEQGAURSMJN-KTKRTIGZSA-N 0 0 241.250 2.945 20 5 BFBDRN CC1(C)CC[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000821850877 587143654 /nfs/dbraw/zinc/14/36/54/587143654.db2.gz FQYQWNPFKUBEOT-NSHDSACASA-N 0 0 249.266 2.940 20 5 BFBDRN O=[N+]([O-])c1ccc(Cl)cc1N1CC2(CC2)C1 ZINC000828365589 587438643 /nfs/dbraw/zinc/43/86/43/587438643.db2.gz YZYCFLLRNNXSBI-UHFFFAOYSA-N 0 0 238.674 2.848 20 5 BFBDRN O=[N+]([O-])c1ccc(Cl)cc1N1CC[C@H](F)C1 ZINC000828447941 587442933 /nfs/dbraw/zinc/44/29/33/587442933.db2.gz AWXWDLXBUCTXBH-QMMMGPOBSA-N 0 0 244.653 2.796 20 5 BFBDRN CCC1(Nc2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000828564786 587450859 /nfs/dbraw/zinc/45/08/59/587450859.db2.gz VWCIHCREIUKJMB-UHFFFAOYSA-N 0 0 246.270 2.597 20 5 BFBDRN CC(C)[C@H]1CCN1c1ccc([N+](=O)[O-])cc1F ZINC000829047294 587480696 /nfs/dbraw/zinc/48/06/96/587480696.db2.gz OOHJTIDCBODEDX-LLVKDONJSA-N 0 0 238.262 2.969 20 5 BFBDRN Cc1ccc(OC(=O)C23CC(C2)C3)c([N+](=O)[O-])c1 ZINC000860476935 589102600 /nfs/dbraw/zinc/10/26/00/589102600.db2.gz XSQGQGHLFBNKRW-UHFFFAOYSA-N 0 0 247.250 2.609 20 5 BFBDRN CCC[C@H](CC(C)C)C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000835466194 587803781 /nfs/dbraw/zinc/80/37/81/587803781.db2.gz HJXBHUZKVRMFAK-GHMZBOCLSA-N 0 0 245.319 2.657 20 5 BFBDRN C[C@@H]1[C@@H](C)[C@H](C)CN1c1ccc(N)cc1[N+](=O)[O-] ZINC000842048814 587992706 /nfs/dbraw/zinc/99/27/06/587992706.db2.gz KTUWOSWXLPZZTL-KXUCPTDWSA-N 0 0 249.314 2.658 20 5 BFBDRN C/C=C(\C)COC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000842850263 588070000 /nfs/dbraw/zinc/07/00/00/588070000.db2.gz NOYFRQFLFAZWMM-XCVCLJGOSA-N 0 0 249.266 2.647 20 5 BFBDRN CCCCNc1cc([N+](=O)[O-])ccc1NC ZINC000843299294 588098318 /nfs/dbraw/zinc/09/83/18/588098318.db2.gz XSEHRWWARCHZGX-UHFFFAOYSA-N 0 0 223.276 2.849 20 5 BFBDRN C/C=C/COC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000105372695 588151043 /nfs/dbraw/zinc/15/10/43/588151043.db2.gz USXWXYQHFFIYGR-ONEGZZNKSA-N 0 0 235.239 2.636 20 5 BFBDRN CCC(CC)[C@@H](C)C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851126776 588592751 /nfs/dbraw/zinc/59/27/51/588592751.db2.gz HRSKDSVONABSIK-SECBINFHSA-N 0 0 245.319 2.657 20 5 BFBDRN CC1(CC(=O)OCCC[N+](=O)[O-])CCCCC1 ZINC000860917166 589131568 /nfs/dbraw/zinc/13/15/68/589131568.db2.gz GVHHEFHOKZENRM-UHFFFAOYSA-N 0 0 243.303 2.557 20 5 BFBDRN Cc1nn(CCC(F)=C(F)F)c(C)c1[N+](=O)[O-] ZINC000863208868 589271429 /nfs/dbraw/zinc/27/14/29/589271429.db2.gz WFGBKECEFIWZNY-UHFFFAOYSA-N 0 0 249.192 2.876 20 5 BFBDRN CCCOCOc1cccc(C)c1[N+](=O)[O-] ZINC000863315069 589278753 /nfs/dbraw/zinc/27/87/53/589278753.db2.gz KCMFWDDPLBTFJC-UHFFFAOYSA-N 0 0 225.244 2.666 20 5 BFBDRN CNc1ccc([N+](=O)[O-])cc1NC[C@H]1C[C@H]1C ZINC000863352472 589281978 /nfs/dbraw/zinc/28/19/78/589281978.db2.gz LUDGLONIRZYAKD-RKDXNWHRSA-N 0 0 235.287 2.704 20 5 BFBDRN CC1(C)C[C@@H]1C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000120219158 589393090 /nfs/dbraw/zinc/39/30/90/589393090.db2.gz KDWBSGSSMNARKZ-LLVKDONJSA-N 0 0 249.266 2.684 20 5 BFBDRN CCCCC(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000120283532 589400464 /nfs/dbraw/zinc/40/04/64/589400464.db2.gz MWNZNCWLKFVAJQ-UHFFFAOYSA-N 0 0 237.255 2.828 20 5 BFBDRN Cc1ncc([N+](=O)[O-])n1C[C@H](C)C(C)(C)C ZINC000865352068 589424148 /nfs/dbraw/zinc/42/41/48/589424148.db2.gz AGCCVNOHTDAJJX-QMMMGPOBSA-N 0 0 225.292 2.782 20 5 BFBDRN 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Nc1ccc([N+](=O)[O-])c(N[C@@H]2CCCC23CC3)c1 ZINC000865994312 589471683 /nfs/dbraw/zinc/47/16/83/589471683.db2.gz KHVSEONFJTXPKW-GFCCVEGCSA-N 0 0 247.298 2.922 20 5 BFBDRN C[C@H]1C[C@H](C)N(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000123452984 589719312 /nfs/dbraw/zinc/71/93/12/589719312.db2.gz UPNOYJDWAJLLPB-IUCAKERBSA-N 0 0 238.262 2.969 20 5 BFBDRN C[C@@H]1C[C@@H](C)N(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000123453202 589719416 /nfs/dbraw/zinc/71/94/16/589719416.db2.gz UPNOYJDWAJLLPB-RKDXNWHRSA-N 0 0 238.262 2.969 20 5 BFBDRN CC(C)(C)SCOc1cccnc1[N+](=O)[O-] ZINC000871636819 589779798 /nfs/dbraw/zinc/77/97/98/589779798.db2.gz RPOQRGDHNGPYOK-UHFFFAOYSA-N 0 0 242.300 2.858 20 5 BFBDRN CC[C@@H](C)COC(=O)c1ccccc1[N+](=O)[O-] ZINC000123747630 589792653 /nfs/dbraw/zinc/79/26/53/589792653.db2.gz CXQXZUFERNDSCD-SECBINFHSA-N 0 0 237.255 2.798 20 5 BFBDRN O=[N+]([O-])c1cc(F)c(OCCF)cc1Cl ZINC000871693552 589793445 /nfs/dbraw/zinc/79/34/45/589793445.db2.gz CZXUYJJRTVKFLF-UHFFFAOYSA-N 0 0 237.589 2.736 20 5 BFBDRN CC(C)COC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000124656754 590070938 /nfs/dbraw/zinc/07/09/38/590070938.db2.gz DJOJPKFXXWNCFW-UHFFFAOYSA-N 0 0 241.218 2.547 20 5 BFBDRN CC[C@@H](C)C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000125219888 590156866 /nfs/dbraw/zinc/15/68/66/590156866.db2.gz VNDFVRYBMOSLMQ-SECBINFHSA-N 0 0 237.255 2.684 20 5 BFBDRN CC(=O)c1c(NC2CC=CC2)cccc1[N+](=O)[O-] ZINC000882090998 591296088 /nfs/dbraw/zinc/29/60/88/591296088.db2.gz XEVHJFXSPSWJSD-UHFFFAOYSA-N 0 0 246.266 2.928 20 5 BFBDRN O=[N+]([O-])c1cnc(NC[C@H]2C=CCC2)c(F)c1 ZINC000882756893 591430091 /nfs/dbraw/zinc/43/00/91/591430091.db2.gz RAOBBISPAFCSFR-QMMMGPOBSA-N 0 0 237.234 2.507 20 5 BFBDRN CCCOC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000135068324 591981701 /nfs/dbraw/zinc/98/17/01/591981701.db2.gz GCCCCMREFUOWOB-UHFFFAOYSA-N 0 0 243.646 2.815 20 5 BFBDRN O=[N+]([O-])c1cccc(Cl)c1N1C[C@@H]2C[C@@H]2C1 ZINC000884587576 591988109 /nfs/dbraw/zinc/98/81/09/591988109.db2.gz LTHLKYAPDGASAV-OCAPTIKFSA-N 0 0 238.674 2.704 20 5 BFBDRN C[C@H]1CCCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886010485 592130419 /nfs/dbraw/zinc/13/04/19/592130419.db2.gz KCUKHTWZYXFZTE-NSHDSACASA-N 0 0 249.314 2.754 20 5 BFBDRN CC[C@H](C)[N@H+](CC)Cc1cccnc1[N+](=O)[O-] ZINC000886274396 592194982 /nfs/dbraw/zinc/19/49/82/592194982.db2.gz RXJIYFAVJNCEPK-JTQLQIEISA-N 0 0 237.303 2.610 20 5 BFBDRN C[C@H](OC(=O)[C@H]1C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000066879471 634509117 /nfs/dbraw/zinc/50/91/17/634509117.db2.gz RYGDAIZCNFVOFH-PTRXPTGYSA-N 0 0 249.266 2.855 20 5 BFBDRN O=[N+]([O-])CCSCC1CCCCC1 ZINC000308395140 631302155 /nfs/dbraw/zinc/30/21/55/631302155.db2.gz CVSRVTJHOLUSTP-UHFFFAOYSA-N 0 0 203.307 2.577 20 5 BFBDRN CCC(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000074719180 631478827 /nfs/dbraw/zinc/47/88/27/631478827.db2.gz ORDCDOLKNGXLND-QMMMGPOBSA-N 0 0 223.228 2.609 20 5 BFBDRN CC(=O)CSCc1cc(F)ccc1[N+](=O)[O-] ZINC000176757729 632057519 /nfs/dbraw/zinc/05/75/19/632057519.db2.gz JRQCAIMLXXWADN-UHFFFAOYSA-N 0 0 243.259 2.556 20 5 BFBDRN 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BFBDRN Cc1cccc([N+](=O)[O-])c1N1CCC[C@@H]1C ZINC000301458600 179206403 /nfs/dbraw/zinc/20/64/03/179206403.db2.gz TUURRLALXMVFQF-JTQLQIEISA-N 0 0 220.272 2.892 20 5 BFBDRN Cc1cccc([N+](=O)[O-])c1NCc1ccncc1 ZINC000083371338 179207026 /nfs/dbraw/zinc/20/70/26/179207026.db2.gz ZBKHTQIBVWQYEC-UHFFFAOYSA-N 0 0 243.266 2.910 20 5 BFBDRN C[C@H](CC(C)(C)O)Nc1sccc1[N+](=O)[O-] ZINC000590713001 347499268 /nfs/dbraw/zinc/49/92/68/347499268.db2.gz UGOMSZJDLBDUMV-SSDOTTSWSA-N 0 0 244.316 2.618 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CCC[C@H]3CCC[C@@H]32)cn1 ZINC000590690977 347492308 /nfs/dbraw/zinc/49/23/08/347492308.db2.gz LKYATHVQVXZYGK-PWSUYJOCSA-N 0 0 247.298 2.759 20 5 BFBDRN CS[C@H]1CCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000590712232 347498743 /nfs/dbraw/zinc/49/87/43/347498743.db2.gz RJRCMCVURWEDFQ-ZETCQYMHSA-N 0 0 244.341 2.598 20 5 BFBDRN O=[N+]([O-])c1ncccc1N1C[C@@H]2CCCC[C@@H]2C1 ZINC000590719405 347500917 /nfs/dbraw/zinc/50/09/17/347500917.db2.gz GVYSQDIJBXEZGU-PHIMTYICSA-N 0 0 247.298 2.616 20 5 BFBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]1C ZINC000194776110 347579460 /nfs/dbraw/zinc/57/94/60/347579460.db2.gz MLYSWPQWHNZEHC-SNVBAGLBSA-N 0 0 248.282 2.528 20 5 BFBDRN O=[N+]([O-])c1cnc(N[C@H]2CC=CCC2)c(F)c1 ZINC000591147460 347621170 /nfs/dbraw/zinc/62/11/70/347621170.db2.gz RNUVMCVGOWHRTD-QMMMGPOBSA-N 0 0 237.234 2.650 20 5 BFBDRN CCC1CN(c2sccc2[N+](=O)[O-])C1 ZINC000591169341 347628318 /nfs/dbraw/zinc/62/83/18/347628318.db2.gz VPNUFDHNKUZEQA-UHFFFAOYSA-N 0 0 212.274 2.503 20 5 BFBDRN O=[N+]([O-])c1ccc(N2CC[C@H](C3CCC3)C2)cn1 ZINC000591204163 347630677 /nfs/dbraw/zinc/63/06/77/347630677.db2.gz HCVGXGSTIMHLHZ-NSHDSACASA-N 0 0 247.298 2.616 20 5 BFBDRN CN(CCC(C)(C)C)c1ccc([N+](=O)[O-])nc1 ZINC000591971047 347722863 /nfs/dbraw/zinc/72/28/63/347722863.db2.gz REDLXVFJBWPSJZ-UHFFFAOYSA-N 0 0 237.303 2.862 20 5 BFBDRN CN(CCC(C)(C)C)c1ccncc1[N+](=O)[O-] ZINC000591971051 347722944 /nfs/dbraw/zinc/72/29/44/347722944.db2.gz RJNWASQBGVQDKQ-UHFFFAOYSA-N 0 0 237.303 2.862 20 5 BFBDRN O=[N+]([O-])c1cnc(N2CCC23CCCC3)s1 ZINC000593485805 347904611 /nfs/dbraw/zinc/90/46/11/347904611.db2.gz XJHNIMPBTLREMD-UHFFFAOYSA-N 0 0 239.300 2.574 20 5 BFBDRN Cc1nc(NC2(C)CC=CC2)ccc1[N+](=O)[O-] ZINC000594591382 348079311 /nfs/dbraw/zinc/07/93/11/348079311.db2.gz SHOJAINNXKLTLR-UHFFFAOYSA-N 0 0 233.271 2.819 20 5 BFBDRN COc1cccc([N+](=O)[O-])c1NC1CC=CC1 ZINC000594563323 348072721 /nfs/dbraw/zinc/07/27/21/348072721.db2.gz TWYOEWUGJSBDCM-UHFFFAOYSA-N 0 0 234.255 2.734 20 5 BFBDRN COc1cccc([N+](=O)[O-])c1N1CC=C(C)CC1 ZINC000594568808 348073753 /nfs/dbraw/zinc/07/37/53/348073753.db2.gz GYKDSZANZYITMB-UHFFFAOYSA-N 0 0 248.282 2.760 20 5 BFBDRN C[C@H]1CCCC[C@H]1Cn1cc([N+](=O)[O-])cn1 ZINC000594890172 348124051 /nfs/dbraw/zinc/12/40/51/348124051.db2.gz NQURBGVUAQDUDI-UWVGGRQHSA-N 0 0 223.276 2.618 20 5 BFBDRN Cc1nn(CCC2CCC2)c(C)c1[N+](=O)[O-] ZINC000594902765 348134269 /nfs/dbraw/zinc/13/42/69/348134269.db2.gz VLKJQYSTVDOPJE-UHFFFAOYSA-N 0 0 223.276 2.598 20 5 BFBDRN CC[C@H](CC(F)F)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000594896892 348130502 /nfs/dbraw/zinc/13/05/02/348130502.db2.gz ANFMFFHWMASHAX-MRVPVSSYSA-N 0 0 247.245 2.781 20 5 BFBDRN CCC[C@@H](C)N(C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595288893 348213421 /nfs/dbraw/zinc/21/34/21/348213421.db2.gz AEPHFUXCQRUOOW-MRVPVSSYSA-N 0 0 241.291 2.512 20 5 BFBDRN C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC1CC=CC1 ZINC000595286322 348212441 /nfs/dbraw/zinc/21/24/41/348212441.db2.gz BKQGYOQABNTYEB-UHFFFAOYSA-N 0 0 246.310 2.993 20 5 BFBDRN C[C@H]1CCC[C@@H](Nc2ccncc2[N+](=O)[O-])C1 ZINC000037255988 187392337 /nfs/dbraw/zinc/39/23/37/187392337.db2.gz PIXHMJDYHCZRTO-VHSXEESVSA-N 0 0 235.287 2.980 20 5 BFBDRN Cc1cc(N2CC[C@H](C)C2)c([N+](=O)[O-])s1 ZINC000596105020 348440243 /nfs/dbraw/zinc/44/02/43/348440243.db2.gz IQCGTMGONNIKGD-ZETCQYMHSA-N 0 0 226.301 2.811 20 5 BFBDRN COC[C@@H](C)CNc1cc(C)sc1[N+](=O)[O-] ZINC000596089775 348444338 /nfs/dbraw/zinc/44/43/38/348444338.db2.gz JMZAWPLKLSDHHD-ZETCQYMHSA-N 0 0 244.316 2.659 20 5 BFBDRN CC[C@H](C)[C@@H](C)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596134691 348447152 /nfs/dbraw/zinc/44/71/52/348447152.db2.gz OONLPWBEYNPLGH-JGVFFNPUSA-N 0 0 239.275 2.542 20 5 BFBDRN CC[C@@H](C)[C@H](C)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596134692 348447231 /nfs/dbraw/zinc/44/72/31/348447231.db2.gz OONLPWBEYNPLGH-SFYZADRCSA-N 0 0 239.275 2.542 20 5 BFBDRN Cc1cc(N[C@H]2CCSC2)c([N+](=O)[O-])s1 ZINC000596138466 348448971 /nfs/dbraw/zinc/44/89/71/348448971.db2.gz KNAOGOPGBYJCMG-ZETCQYMHSA-N 0 0 244.341 2.882 20 5 BFBDRN CC[C@@H](O)CCNc1cc(C)sc1[N+](=O)[O-] ZINC000596160886 348459348 /nfs/dbraw/zinc/45/93/48/348459348.db2.gz AOOQSLLYHPWXRJ-MRVPVSSYSA-N 0 0 244.316 2.538 20 5 BFBDRN Cc1cn(C[C@@H]2CC[C@H]3C[C@H]3C2)nc1[N+](=O)[O-] ZINC000596277186 348494425 /nfs/dbraw/zinc/49/44/25/348494425.db2.gz BHXDALGMVVKPDZ-OUAUKWLOSA-N 0 0 235.287 2.536 20 5 BFBDRN Cc1cc(NCCC[C@H](C)O)c([N+](=O)[O-])s1 ZINC000596214920 348467339 /nfs/dbraw/zinc/46/73/39/348467339.db2.gz NCCXAJJIVUDXPF-ZETCQYMHSA-N 0 0 244.316 2.538 20 5 BFBDRN Cc1cc(N2C[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000596247703 348471820 /nfs/dbraw/zinc/47/18/20/348471820.db2.gz LAIGMBNYUAWEGS-NXEZZACHSA-N 0 0 220.272 2.748 20 5 BFBDRN Cc1cc(N2C[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000596247706 348471889 /nfs/dbraw/zinc/47/18/89/348471889.db2.gz LAIGMBNYUAWEGS-VHSXEESVSA-N 0 0 220.272 2.748 20 5 BFBDRN Cc1noc(COc2cccc(C)c2)c1[N+](=O)[O-] ZINC000596238014 348483327 /nfs/dbraw/zinc/48/33/27/348483327.db2.gz DREYDBCYISIIIJ-UHFFFAOYSA-N 0 0 248.238 2.779 20 5 BFBDRN CC[C@@H](C)CCNc1cccnc1[N+](=O)[O-] ZINC000596414936 348539232 /nfs/dbraw/zinc/53/92/32/348539232.db2.gz FFPXSZWZQHIHCA-SECBINFHSA-N 0 0 223.276 2.838 20 5 BFBDRN CC[C@@H](C)CCNc1ncc([N+](=O)[O-])cc1F ZINC000596414948 348539261 /nfs/dbraw/zinc/53/92/61/348539261.db2.gz FLFUVECNKNMVDB-MRVPVSSYSA-N 0 0 241.266 2.977 20 5 BFBDRN Cc1cn(C[C@H]2CCCC[C@@H]2C)nc1[N+](=O)[O-] ZINC000596279105 348495577 /nfs/dbraw/zinc/49/55/77/348495577.db2.gz PLQFBCQGEPPWGZ-GXSJLCMTSA-N 0 0 237.303 2.926 20 5 BFBDRN CCO[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000596440118 348548226 /nfs/dbraw/zinc/54/82/26/348548226.db2.gz FIYJVUCQOORCSP-MGCOHNPYSA-N 0 0 236.271 2.574 20 5 BFBDRN CC1(C)C[C@H](Nc2sccc2[N+](=O)[O-])CO1 ZINC000596310668 348504054 /nfs/dbraw/zinc/50/40/54/348504054.db2.gz IBKYMSITDGQSFV-ZETCQYMHSA-N 0 0 242.300 2.636 20 5 BFBDRN Cc1ccnc(N(C)C[C@H]2CC2(C)C)c1[N+](=O)[O-] ZINC000596568367 348580961 /nfs/dbraw/zinc/58/09/61/348580961.db2.gz VKMWXPXIAOUWAL-SNVBAGLBSA-N 0 0 249.314 2.781 20 5 BFBDRN CC1C[C@H]2CC[C@@H](C1)N2c1ccncc1[N+](=O)[O-] ZINC000596539468 348582532 /nfs/dbraw/zinc/58/25/32/348582532.db2.gz BLVPFDOVZYICCD-FGWVZKOKSA-N 0 0 247.298 2.757 20 5 BFBDRN Cc1cc(-c2ccc(C)c([N+](=O)[O-])c2)nn1C ZINC000596639229 348599639 /nfs/dbraw/zinc/59/96/39/348599639.db2.gz MFIJTOAAYRVWBY-UHFFFAOYSA-N 0 0 231.255 2.612 20 5 BFBDRN O=[N+]([O-])c1ncccc1NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000596475240 348554255 /nfs/dbraw/zinc/55/42/55/348554255.db2.gz XODYXQMGSAMMFD-VWYCJHECSA-N 0 0 247.298 2.838 20 5 BFBDRN CC1(C)C[C@@]1(C)Nc1ncc([N+](=O)[O-])cc1F ZINC000596523645 348564169 /nfs/dbraw/zinc/56/41/69/348564169.db2.gz KZZHSEICPREOPY-LLVKDONJSA-N 0 0 239.250 2.729 20 5 BFBDRN O=[N+]([O-])c1ccsc1N1CC[C@H]2C[C@H]2C1 ZINC000596508963 348572035 /nfs/dbraw/zinc/57/20/35/348572035.db2.gz GGKUVZBLQSNCJV-YUMQZZPRSA-N 0 0 224.285 2.503 20 5 BFBDRN Cc1cnc(N(C)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000266224172 179619296 /nfs/dbraw/zinc/61/92/96/179619296.db2.gz RAHNWIIJPVEFHB-UHFFFAOYSA-N 0 0 247.254 2.528 20 5 BFBDRN CC1(C)CC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000598803481 349045820 /nfs/dbraw/zinc/04/58/20/349045820.db2.gz PJKBFEYZCRFVMX-NSHDSACASA-N 0 0 248.282 2.970 20 5 BFBDRN Cc1cc([N+](=O)[O-])cnc1N1CC(CC2CC2)C1 ZINC000598643942 349008522 /nfs/dbraw/zinc/00/85/22/349008522.db2.gz YCOQEXJCXQURLY-UHFFFAOYSA-N 0 0 247.298 2.535 20 5 BFBDRN CC(C)CNc1c(Cl)cncc1[N+](=O)[O-] ZINC000308897767 349056109 /nfs/dbraw/zinc/05/61/09/349056109.db2.gz ZXHFTVQGATWDOD-UHFFFAOYSA-N 0 0 229.667 2.711 20 5 BFBDRN CC1(C)C[C@]1(C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000598878534 349056559 /nfs/dbraw/zinc/05/65/59/349056559.db2.gz FABQONSWXVJFKZ-ZDUSSCGKSA-N 0 0 248.282 2.513 20 5 BFBDRN O=[N+]([O-])c1ccc(NCC2CC=CC2)cc1 ZINC000599125718 349102027 /nfs/dbraw/zinc/10/20/27/349102027.db2.gz ANDPPMLRVIHITG-UHFFFAOYSA-N 0 0 218.256 2.973 20 5 BFBDRN COc1cccc(NCC2CC=CC2)c1[N+](=O)[O-] ZINC000599127004 349102260 /nfs/dbraw/zinc/10/22/60/349102260.db2.gz LPBYJCOWGRXIJB-UHFFFAOYSA-N 0 0 248.282 2.982 20 5 BFBDRN CCO[C@@]1(C)C[C@H]1Nc1ccsc1[N+](=O)[O-] ZINC000599147949 349105210 /nfs/dbraw/zinc/10/52/10/349105210.db2.gz VGJWUFZKQXJUEO-SCZZXKLOSA-N 0 0 242.300 2.636 20 5 BFBDRN CCO[C@@]1(C)C[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000599147864 349105221 /nfs/dbraw/zinc/10/52/21/349105221.db2.gz QNAIKIGAAOSJCP-NEPJUHHUSA-N 0 0 236.271 2.574 20 5 BFBDRN C/C=C/CNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000599781420 349257419 /nfs/dbraw/zinc/25/74/19/349257419.db2.gz YUUGRMZQAWJNLF-ONEGZZNKSA-N 0 0 249.270 2.601 20 5 BFBDRN C[C@H]1CCC[C@H](Nc2cccnc2[N+](=O)[O-])C1 ZINC000159326857 350022575 /nfs/dbraw/zinc/02/25/75/350022575.db2.gz GXECFFHNQUJVGS-UWVGGRQHSA-N 0 0 235.287 2.980 20 5 BFBDRN CC(C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000077935802 191006787 /nfs/dbraw/zinc/00/67/87/191006787.db2.gz SKBYWEABXXIYFW-UHFFFAOYSA-N 0 0 246.270 2.509 20 5 BFBDRN Cc1nc(N2C[C@H]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000268530713 180004954 /nfs/dbraw/zinc/00/49/54/180004954.db2.gz XEDCMIQZZAKJRL-GHMZBOCLSA-N 0 0 247.298 2.535 20 5 BFBDRN Cc1nc(N[C@@H]2CCC[C@@H]2F)ccc1[N+](=O)[O-] ZINC000338826063 180022529 /nfs/dbraw/zinc/02/25/29/180022529.db2.gz ARGNTFQLBXBQOX-DTWKUNHWSA-N 0 0 239.250 2.601 20 5 BFBDRN Cc1nc(N[C@@H]2C=CCCC2)ccc1[N+](=O)[O-] ZINC000301684540 180022535 /nfs/dbraw/zinc/02/25/35/180022535.db2.gz WKRBDNOCHJLIRC-SNVBAGLBSA-N 0 0 233.271 2.819 20 5 BFBDRN Cc1nc(N[C@@H]2C[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000362363124 180023538 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/nfs/dbraw/zinc/62/94/21/168629421.db2.gz HCFPCQYFKXKWIG-UHFFFAOYSA-N 0 0 237.255 2.828 20 5 BFBDRN Cc1nn(C2CCCCC2)cc1[N+](=O)[O-] ZINC000295350474 180384677 /nfs/dbraw/zinc/38/46/77/180384677.db2.gz NUHANQBQKMXDPT-UHFFFAOYSA-N 0 0 209.249 2.605 20 5 BFBDRN Cc1nn([C@H](C)CC(C)C)cc1[N+](=O)[O-] ZINC000294894309 180393135 /nfs/dbraw/zinc/39/31/35/180393135.db2.gz BFJPFZAOXFBIJH-MRVPVSSYSA-N 0 0 211.265 2.707 20 5 BFBDRN Cc1nn(CC(C)C)c2ccc([N+](=O)[O-])cc12 ZINC000268711385 180386749 /nfs/dbraw/zinc/38/67/49/180386749.db2.gz HBKDSECFQLCTBK-UHFFFAOYSA-N 0 0 233.271 2.909 20 5 BFBDRN Cc1nn(CCCCCF)c(C)c1[N+](=O)[O-] ZINC000284458202 180387550 /nfs/dbraw/zinc/38/75/50/180387550.db2.gz QMYOVNBYAFKCDG-UHFFFAOYSA-N 0 0 229.255 2.548 20 5 BFBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCCOCC2)s1 ZINC000309498182 350614112 /nfs/dbraw/zinc/61/41/12/350614112.db2.gz KUISIGJEFGOHLX-MRVPVSSYSA-N 0 0 242.300 2.637 20 5 BFBDRN C[C@@H]1C[C@H](C)CCN(c2cccnc2[N+](=O)[O-])C1 ZINC000611030977 358457983 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383880732 /nfs/dbraw/zinc/88/07/32/383880732.db2.gz FRLAZHRZIHLRNO-SSDOTTSWSA-N 0 0 243.259 2.615 20 5 BFBDRN CC(=O)c1cc(NC[C@H]2C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000288536534 383906814 /nfs/dbraw/zinc/90/68/14/383906814.db2.gz SBUJABYBUXKTRW-WCBMZHEXSA-N 0 0 248.282 2.865 20 5 BFBDRN C[C@@H]1C[C@@H](C)N1Cc1csc([N+](=O)[O-])c1 ZINC000334495876 383907045 /nfs/dbraw/zinc/90/70/45/383907045.db2.gz WJROKXNJIUVJSR-HTQZYQBOSA-N 0 0 226.301 2.639 20 5 BFBDRN Nc1ccc(NC[C@@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000288649363 383937804 /nfs/dbraw/zinc/93/78/04/383937804.db2.gz ZQOULUSFYUSNFU-SNVBAGLBSA-N 0 0 247.298 2.945 20 5 BFBDRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@]12C[C@H]1CCC2 ZINC000334995090 384008482 /nfs/dbraw/zinc/00/84/82/384008482.db2.gz OJZIYBFXZYICSF-NOZJJQNGSA-N 0 0 246.266 2.724 20 5 BFBDRN O=[N+]([O-])c1cccc(F)c1OCC1CCC1 ZINC000274322959 384088482 /nfs/dbraw/zinc/08/84/82/384088482.db2.gz UFNQROLUXBKMMN-UHFFFAOYSA-N 0 0 225.219 2.913 20 5 BFBDRN C[C@@H](CF)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000309742053 384168472 /nfs/dbraw/zinc/16/84/72/384168472.db2.gz IAVQPJUROQCTNN-ZETCQYMHSA-N 0 0 246.669 2.696 20 5 BFBDRN CN(C[C@H]1CC=CCC1)c1ccncc1[N+](=O)[O-] ZINC000361059955 384183361 /nfs/dbraw/zinc/18/33/61/384183361.db2.gz TXGOEJHXJHVWBL-NSHDSACASA-N 0 0 247.298 2.782 20 5 BFBDRN Cc1ncc([N+](=O)[O-])n1Cc1cc(C)ccc1F ZINC000336257514 384186228 /nfs/dbraw/zinc/18/62/28/384186228.db2.gz LEWOCESXSWGXOK-UHFFFAOYSA-N 0 0 249.245 2.596 20 5 BFBDRN Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@H](C)C1CC1 ZINC000178434322 384237103 /nfs/dbraw/zinc/23/71/03/384237103.db2.gz XYYIMUQLWFFDTA-SECBINFHSA-N 0 0 249.266 2.855 20 5 BFBDRN O=[N+]([O-])c1cccc(F)c1Oc1cccnc1 ZINC000336364923 384218575 /nfs/dbraw/zinc/21/85/75/384218575.db2.gz XTHISNVGVQKAGI-UHFFFAOYSA-N 0 0 234.186 2.921 20 5 BFBDRN Cc1ccnc(N[C@@H]2CC[C@@H]2C)c1[N+](=O)[O-] ZINC000336667737 384251551 /nfs/dbraw/zinc/25/15/51/384251551.db2.gz QIOKRSQOKSSABV-IONNQARKSA-N 0 0 221.260 2.509 20 5 BFBDRN CC[C@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000362560018 384262666 /nfs/dbraw/zinc/26/26/66/384262666.db2.gz GCLYSLVNAJTFMO-ONGXEEELSA-N 0 0 235.287 2.980 20 5 BFBDRN CC[C@H](Nc1ccccc1[N+](=O)[O-])c1ncc[nH]1 ZINC000157198169 384270713 /nfs/dbraw/zinc/27/07/13/384270713.db2.gz YDKDDJNSDJIUEZ-VIFPVBQESA-N 0 0 246.270 2.881 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2C[C@@H]2C)n1 ZINC000359088440 384377917 /nfs/dbraw/zinc/37/79/17/384377917.db2.gz ZDHUANJZNYFLGG-XVKPBYJWSA-N 0 0 235.287 2.675 20 5 BFBDRN CC(C)CCOc1ccc([N+](=O)[O-])c(CO)c1 ZINC000337434025 384446136 /nfs/dbraw/zinc/44/61/36/384446136.db2.gz HNZSNTGCNSLMHJ-UHFFFAOYSA-N 0 0 239.271 2.512 20 5 BFBDRN O=[N+]([O-])c1cccc(F)c1NCCCCF ZINC000309211061 384463142 /nfs/dbraw/zinc/46/31/42/384463142.db2.gz DNZDBXNRESWUQJ-UHFFFAOYSA-N 0 0 230.214 2.896 20 5 BFBDRN Cc1nn(Cc2cc(F)ccc2C)cc1[N+](=O)[O-] ZINC000187207002 384475745 /nfs/dbraw/zinc/47/57/45/384475745.db2.gz TWGKZZOZBSOZDF-UHFFFAOYSA-N 0 0 249.245 2.596 20 5 BFBDRN Cc1ccnc(N[C@H]2CCC2(C)C)c1[N+](=O)[O-] ZINC000310284936 384548193 /nfs/dbraw/zinc/54/81/93/384548193.db2.gz LWIDCMHEQPEDDG-VIFPVBQESA-N 0 0 235.287 2.899 20 5 BFBDRN CN(c1ccc([N+](=O)[O-])cc1)[C@@H]1CCSC1 ZINC000180443687 384597522 /nfs/dbraw/zinc/59/75/22/384597522.db2.gz LKKVYUDWFYVEKO-LLVKDONJSA-N 0 0 238.312 2.537 20 5 BFBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H]1C1CC1 ZINC000176548977 384694385 /nfs/dbraw/zinc/69/43/85/384694385.db2.gz NWSBVDLTKQRDDI-NEPJUHHUSA-N 0 0 246.266 2.579 20 5 BFBDRN COC[C@@H](C)CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000044477212 384743230 /nfs/dbraw/zinc/74/32/30/384743230.db2.gz CDDHKVOMHPUWRW-VIFPVBQESA-N 0 0 238.287 2.598 20 5 BFBDRN CCOc1cc(NCC(F)F)ccc1[N+](=O)[O-] ZINC000150336111 384826691 /nfs/dbraw/zinc/82/66/91/384826691.db2.gz DTLHQYADMSRFSE-UHFFFAOYSA-N 0 0 246.213 2.671 20 5 BFBDRN C[C@H](F)CCNc1ccc([N+](=O)[O-])cc1F ZINC000338748351 384940268 /nfs/dbraw/zinc/94/02/68/384940268.db2.gz FUUGEYMJKCDCLE-ZETCQYMHSA-N 0 0 230.214 2.894 20 5 BFBDRN COc1ccc([N+](=O)[O-])c(N[C@H]2CC[C@H]2C)c1 ZINC000310393741 385054254 /nfs/dbraw/zinc/05/42/54/385054254.db2.gz SAOMFIPUCSZNON-SCZZXKLOSA-N 0 0 236.271 2.814 20 5 BFBDRN CCOc1cc(OCC2CC2)ccc1[N+](=O)[O-] ZINC000188606007 385065851 /nfs/dbraw/zinc/06/58/51/385065851.db2.gz KTPPPTLWDZDUET-UHFFFAOYSA-N 0 0 237.255 2.782 20 5 BFBDRN O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC1CC1 ZINC000236141677 385035334 /nfs/dbraw/zinc/03/53/34/385035334.db2.gz RRAGTWQLUKRHTM-UHFFFAOYSA-N 0 0 247.176 2.583 20 5 BFBDRN CO[C@@H](C)CCNc1cccc(F)c1[N+](=O)[O-] ZINC000263744923 385135180 /nfs/dbraw/zinc/13/51/80/385135180.db2.gz DSLJMLYWJLNLPN-QMMMGPOBSA-N 0 0 242.250 2.571 20 5 BFBDRN CC[C@@H](C)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000085426779 385177441 /nfs/dbraw/zinc/17/74/41/385177441.db2.gz DDEPVFCGFCZSKH-MRVPVSSYSA-N 0 0 209.249 2.509 20 5 BFBDRN Cc1nc(CNc2cccc([N+](=O)[O-])c2)oc1C ZINC000176898931 385179354 /nfs/dbraw/zinc/17/93/54/385179354.db2.gz UVJXPRFMPBUGRC-UHFFFAOYSA-N 0 0 247.254 2.812 20 5 BFBDRN CCC1(CNc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000287831195 385237843 /nfs/dbraw/zinc/23/78/43/385237843.db2.gz LIGWOHNCZCJGDS-UHFFFAOYSA-N 0 0 235.287 2.779 20 5 BFBDRN O=[N+]([O-])c1cccc(F)c1NC1CC(F)(F)C1 ZINC000287905199 385248831 /nfs/dbraw/zinc/24/88/31/385248831.db2.gz VQOUAFJIIGVNOI-UHFFFAOYSA-N 0 0 246.188 2.944 20 5 BFBDRN Cc1cccc(N2CCC[C@H](F)C2)c1[N+](=O)[O-] ZINC000338714562 385271479 /nfs/dbraw/zinc/27/14/79/385271479.db2.gz SLYXWMOLGJXSCY-JTQLQIEISA-N 0 0 238.262 2.842 20 5 BFBDRN C[C@@H](CF)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000288183444 385279742 /nfs/dbraw/zinc/27/97/42/385279742.db2.gz JGAXNSMMLQZOAE-QMMMGPOBSA-N 0 0 249.245 2.913 20 5 BFBDRN CSC(C)(C)CNc1ncc([N+](=O)[O-])s1 ZINC000189689999 385280293 /nfs/dbraw/zinc/28/02/93/385280293.db2.gz QAAPTOGVHKZJTI-UHFFFAOYSA-N 0 0 247.345 2.605 20 5 BFBDRN Cc1ccc(OCC(=O)C(C)C)cc1[N+](=O)[O-] ZINC000178990496 385293790 /nfs/dbraw/zinc/29/37/90/385293790.db2.gz BVAWQNQZOWGIIS-UHFFFAOYSA-N 0 0 237.255 2.507 20 5 BFBDRN O=[N+]([O-])c1cn(CCCC2CCCC2)cn1 ZINC000154554130 385337922 /nfs/dbraw/zinc/33/79/22/385337922.db2.gz ARSBLRUUMXGERQ-UHFFFAOYSA-N 0 0 223.276 2.762 20 5 BFBDRN O=[N+]([O-])c1cn(CCCc2cccc(F)c2)cn1 ZINC000180025826 385337951 /nfs/dbraw/zinc/33/79/51/385337951.db2.gz NTMHQYZGISXHCK-UHFFFAOYSA-N 0 0 249.245 2.563 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[C@H](F)C2)n1 ZINC000340964642 385378081 /nfs/dbraw/zinc/37/80/81/385378081.db2.gz MJMORJCPJBLCDP-DTWKUNHWSA-N 0 0 239.250 2.601 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[C@H](F)C2)n1 ZINC000340964644 385383551 /nfs/dbraw/zinc/38/35/51/385383551.db2.gz MJMORJCPJBLCDP-IUCAKERBSA-N 0 0 239.250 2.601 20 5 BFBDRN CC(C)Cc1noc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000109561004 385462730 /nfs/dbraw/zinc/46/27/30/385462730.db2.gz SYSRDQGNRGCNCL-UHFFFAOYSA-N 0 0 247.254 2.843 20 5 BFBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H](C)C2)n1 ZINC000408171804 385603876 /nfs/dbraw/zinc/60/38/76/385603876.db2.gz OEKYTGSFPZVMGT-VIFPVBQESA-N 0 0 249.314 2.843 20 5 BFBDRN O=[N+]([O-])c1ccc(-c2noc(C3CCC3)n2)cc1 ZINC000264583831 385621293 /nfs/dbraw/zinc/62/12/93/385621293.db2.gz CYDLFFLINROFRP-UHFFFAOYSA-N 0 0 245.238 2.912 20 5 BFBDRN CCN(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182113904 385635809 /nfs/dbraw/zinc/63/58/09/385635809.db2.gz GOBCRWFSWVXNBI-UHFFFAOYSA-N 0 0 228.679 2.700 20 5 BFBDRN CCC[C@@H](C)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000137253430 385654915 /nfs/dbraw/zinc/65/49/15/385654915.db2.gz FVBQGVUQGBWZCG-MRVPVSSYSA-N 0 0 223.276 2.899 20 5 BFBDRN Cc1cc(N2CC(C3CCC3)C2)ncc1[N+](=O)[O-] ZINC000343249086 385700066 /nfs/dbraw/zinc/70/00/66/385700066.db2.gz CRUAKOHPEJQZNG-UHFFFAOYSA-N 0 0 247.298 2.535 20 5 BFBDRN O=[N+]([O-])c1c(F)cccc1NC1CCC1 ZINC000052211542 385707824 /nfs/dbraw/zinc/70/78/24/385707824.db2.gz ZPLAFNQWYWQCJC-UHFFFAOYSA-N 0 0 210.208 2.698 20 5 BFBDRN CC[C@@]1(C)CCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000343533451 385712255 /nfs/dbraw/zinc/71/22/55/385712255.db2.gz LXGYJEBDBBGHLU-LBPRGKRZSA-N 0 0 235.287 2.616 20 5 BFBDRN CO[C@H](C)COc1cccc(Cl)c1[N+](=O)[O-] ZINC000292754245 385721138 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386261685 /nfs/dbraw/zinc/26/16/85/386261685.db2.gz KGZCXMOQHARUHT-QMMMGPOBSA-N 0 0 221.260 2.590 20 5 BFBDRN O=[N+]([O-])c1ccsc1S[C@@H]1CCOC1 ZINC000617000687 386529904 /nfs/dbraw/zinc/52/99/04/386529904.db2.gz OPTHOZKKDVJMFE-ZCFIWIBFSA-N 0 0 231.298 2.537 20 5 BFBDRN O=[N+]([O-])c1ccc(NCc2ccc(F)cn2)cc1 ZINC000357151609 386519197 /nfs/dbraw/zinc/51/91/97/386519197.db2.gz LPAZSTCREZQQAE-UHFFFAOYSA-N 0 0 247.229 2.741 20 5 BFBDRN O=[N+]([O-])c1ccsc1S[C@H]1CCOC1 ZINC000617000686 386530640 /nfs/dbraw/zinc/53/06/40/386530640.db2.gz OPTHOZKKDVJMFE-LURJTMIESA-N 0 0 231.298 2.537 20 5 BFBDRN Cc1c(-c2noc(C3CC3)n2)cccc1[N+](=O)[O-] ZINC000453266677 386711011 /nfs/dbraw/zinc/71/10/11/386711011.db2.gz ZPZFTGILTXQOJY-UHFFFAOYSA-N 0 0 245.238 2.831 20 5 BFBDRN O=C(OC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000073070934 386708138 /nfs/dbraw/zinc/70/81/38/386708138.db2.gz HYUBHQHMYUMTGT-UHFFFAOYSA-N 0 0 235.239 2.694 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NC2CCCC2)c1 ZINC000088147521 386843853 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238.262 2.969 20 5 BFBDRN O=[N+]([O-])c1cc(F)ccc1N1CCC[C@H](F)C1 ZINC000343032833 135349288 /nfs/dbraw/zinc/34/92/88/135349288.db2.gz HVGBAYFJLFWBRP-VIFPVBQESA-N 0 0 242.225 2.672 20 5 BFBDRN C[C@@]1(F)CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000334347496 135366383 /nfs/dbraw/zinc/36/63/83/135366383.db2.gz XLNBGOJXVSCOJE-SNVBAGLBSA-N 0 0 244.291 2.590 20 5 BFBDRN O=[N+]([O-])c1ccccc1NC[C@H]1CCCS1 ZINC000087475272 135508025 /nfs/dbraw/zinc/50/80/25/135508025.db2.gz XWESHTYOYMAILW-SECBINFHSA-N 0 0 238.312 2.902 20 5 BFBDRN COc1ccc([N+](=O)[O-])c(N[C@H]2CC2(C)C)c1 ZINC000090794560 135554457 /nfs/dbraw/zinc/55/44/57/135554457.db2.gz DUCUYPSMPFVNMD-NSHDSACASA-N 0 0 236.271 2.814 20 5 BFBDRN O=[N+]([O-])c1cnn(C[C@@H]2CCCCC2(F)F)c1 ZINC000295693121 398020712 /nfs/dbraw/zinc/02/07/12/398020712.db2.gz IMUJLBFDTMSOTG-QMMMGPOBSA-N 0 0 245.229 2.617 20 5 BFBDRN CC[C@@H](C)Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000195043930 398130570 /nfs/dbraw/zinc/13/05/70/398130570.db2.gz SSXHBTMXZJJARZ-MRVPVSSYSA-N 0 0 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BFBDRN CCOc1cccc(N2CCCC2)c1[N+](=O)[O-] ZINC000273155701 170581076 /nfs/dbraw/zinc/58/10/76/170581076.db2.gz JABIUWHPDMQHCI-UHFFFAOYSA-N 0 0 236.271 2.594 20 5 BFBDRN CC[C@@H](C)CN(C)c1nccc(C)c1[N+](=O)[O-] ZINC000301309692 170699701 /nfs/dbraw/zinc/69/97/01/170699701.db2.gz XXUVOOFHRTXCBM-SECBINFHSA-N 0 0 237.303 2.781 20 5 BFBDRN CC[C@@H](C)COc1cc(C=O)ccc1[N+](=O)[O-] ZINC000050517496 170711955 /nfs/dbraw/zinc/71/19/55/170711955.db2.gz WFRRYSYTPYSLRX-SECBINFHSA-N 0 0 237.255 2.832 20 5 BFBDRN CC[C@@H]1CCN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000293978224 171020972 /nfs/dbraw/zinc/02/09/72/171020972.db2.gz KVKBLSRHICGOFW-LLVKDONJSA-N 0 0 248.282 2.528 20 5 BFBDRN CC[C@@H]1CCN1C(=O)c1cccc([N+](=O)[O-])c1C ZINC000293869062 171022864 /nfs/dbraw/zinc/02/28/64/171022864.db2.gz CVNSQBIWXNATRY-SNVBAGLBSA-N 0 0 248.282 2.528 20 5 BFBDRN CC[C@@H]1CCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000292437535 171027543 /nfs/dbraw/zinc/02/75/43/171027543.db2.gz YAJMWBJRALKZOJ-SSDOTTSWSA-N 0 0 241.678 2.632 20 5 BFBDRN CC[C@@H]1CC[C@@H](C)N1c1ccc([N+](=O)[O-])nc1 ZINC000357266462 171038138 /nfs/dbraw/zinc/03/81/38/171038138.db2.gz HZKDZQAAAOZLGO-NXEZZACHSA-N 0 0 235.287 2.757 20 5 BFBDRN CC[C@@H]1CC[C@H](C)N1c1ncccc1[N+](=O)[O-] ZINC000271413706 171055649 /nfs/dbraw/zinc/05/56/49/171055649.db2.gz KRBUOBXWEWFDHW-VHSXEESVSA-N 0 0 235.287 2.757 20 5 BFBDRN CC[C@@H]1CC[C@H](C)N1c1ncc([N+](=O)[O-])s1 ZINC000281920163 171056410 /nfs/dbraw/zinc/05/64/10/171056410.db2.gz NXZBLFICWLHZDB-JGVFFNPUSA-N 0 0 241.316 2.819 20 5 BFBDRN CC[C@@H]1C[C@H]1Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000227285678 171141839 /nfs/dbraw/zinc/14/18/39/171141839.db2.gz OGBBSJDHDPKWOT-HTRCEHHLSA-N 0 0 241.678 2.854 20 5 BFBDRN CC[C@H](C)CN(CC)c1ccc([N+](=O)[O-])cn1 ZINC000301494720 171277935 /nfs/dbraw/zinc/27/79/35/171277935.db2.gz SBNVXHDERBTXCN-JTQLQIEISA-N 0 0 237.303 2.862 20 5 BFBDRN CC[C@H](C)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000050424736 171291232 /nfs/dbraw/zinc/29/12/32/171291232.db2.gz RMEUCMWLYZISEA-VIFPVBQESA-N 0 0 237.255 2.832 20 5 BFBDRN CC[C@H](Nc1ncc([N+](=O)[O-])c(C)n1)C(C)C ZINC000295532143 171553217 /nfs/dbraw/zinc/55/32/17/171553217.db2.gz NNJKFGFDECRVCD-VIFPVBQESA-N 0 0 238.291 2.540 20 5 BFBDRN CC[C@H]1CCCN1c1ccccc1[N+](=O)[O-] ZINC000340698011 171622025 /nfs/dbraw/zinc/62/20/25/171622025.db2.gz OLBLHGRUTPYYLS-JTQLQIEISA-N 0 0 220.272 2.974 20 5 BFBDRN CCc1cccc(Cn2cc([N+](=O)[O-])c(C)n2)c1 ZINC000189347283 171857697 /nfs/dbraw/zinc/85/76/97/171857697.db2.gz QTDWJQDHJDEXHN-UHFFFAOYSA-N 0 0 245.282 2.710 20 5 BFBDRN CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000075502953 172323270 /nfs/dbraw/zinc/32/32/70/172323270.db2.gz FPMVRLQAJJFGIV-UHFFFAOYSA-N 0 0 249.270 2.611 20 5 BFBDRN CN(C(=O)[C@H]1CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000158550190 172332844 /nfs/dbraw/zinc/33/28/44/172332844.db2.gz BAWCCCXIZFPOMI-LLVKDONJSA-N 0 0 248.282 2.604 20 5 BFBDRN CN(CC1CCCC1)c1ncc([N+](=O)[O-])s1 ZINC000190322482 172661125 /nfs/dbraw/zinc/66/11/25/172661125.db2.gz INENTVPVUHLSOS-UHFFFAOYSA-N 0 0 241.316 2.678 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CC[C@H](C)OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000103667772 586288828 /nfs/dbraw/zinc/28/88/28/586288828.db2.gz SJANALFQAPBETI-ZKXNXJMVSA-N 0 0 249.266 2.950 20 5 BFBDRN CC(C)CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804316339 586390582 /nfs/dbraw/zinc/39/05/82/586390582.db2.gz BVYOYDMKUCHFQN-UHFFFAOYSA-N 0 0 239.231 2.571 20 5 BFBDRN Nc1ccc(NCCC(F)(F)F)c([N+](=O)[O-])c1 ZINC000804524330 586398148 /nfs/dbraw/zinc/39/81/48/586398148.db2.gz OVDNBAHUAKUBLP-UHFFFAOYSA-N 0 0 249.192 2.541 20 5 BFBDRN CC/C=C/CCOc1ccc(N)c([N+](=O)[O-])c1 ZINC000808256379 586468638 /nfs/dbraw/zinc/46/86/38/586468638.db2.gz JOQVXCLDXSWBEI-ONEGZZNKSA-N 0 0 236.271 2.912 20 5 BFBDRN CC[C@@H](C)CCCCC(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813107211 586592724 /nfs/dbraw/zinc/59/27/24/586592724.db2.gz MPSVYBDAGKLCLC-MNOVXSKESA-N 0 0 245.319 2.801 20 5 BFBDRN C[C@H](COC(=O)CC1CCCCCC1)[N+](=O)[O-] ZINC000813108240 586593178 /nfs/dbraw/zinc/59/31/78/586593178.db2.gz WKRPZDYADIAWHL-SNVBAGLBSA-N 0 0 243.303 2.555 20 5 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C[C@H](OC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC001224022269 973411988 /nfs/dbraw/zinc/41/19/88/973411988.db2.gz CKBHQBHKPGTISJ-QMMMGPOBSA-N 0 0 207.229 2.835 20 5 BFBDRN C[C@@H](OC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC001224022268 973414516 /nfs/dbraw/zinc/41/45/16/973414516.db2.gz CKBHQBHKPGTISJ-MRVPVSSYSA-N 0 0 207.229 2.835 20 5 BFBDRN CC[C@H](C)[C@H](C)OCc1ccc([N+](=O)[O-])nc1 ZINC001224115466 973456559 /nfs/dbraw/zinc/45/65/59/973456559.db2.gz VBIAVDXOPGLAMJ-UWVGGRQHSA-N 0 0 238.287 2.941 20 5 BFBDRN CCCCCCO[C@H](C[N+](=O)[O-])C1CC1 ZINC001224669612 973842422 /nfs/dbraw/zinc/84/24/22/973842422.db2.gz HXFPGNGQLABLEB-LLVKDONJSA-N 0 0 215.293 2.639 20 5 BFBDRN O=[N+]([O-])c1ccccc1Nc1ccnc(F)c1 ZINC001206144313 974137020 /nfs/dbraw/zinc/13/70/20/974137020.db2.gz HQXFYOJVXDEFEO-UHFFFAOYSA-N 0 0 233.202 2.873 20 5 BFBDRN O=[N+]([O-])c1ccnc(N[C@H]2CC=CCC2)c1 ZINC000084080425 974208536 /nfs/dbraw/zinc/20/85/36/974208536.db2.gz VUFMISGOLQMGBT-VIFPVBQESA-N 0 0 219.244 2.510 20 5 BFBDRN Cc1ccc(O[C@@H](C[N+](=O)[O-])C2CC2)cc1C ZINC001225245851 974302717 /nfs/dbraw/zinc/30/27/17/974302717.db2.gz OMRCGLLUUJBFTO-ZDUSSCGKSA-N 0 0 235.283 2.738 20 5 BFBDRN CC[C@H](C)Oc1ccc(F)c([N+](=O)[O-])c1 ZINC001225382531 974458542 /nfs/dbraw/zinc/45/85/42/974458542.db2.gz PMEIETSXVRUKQV-ZETCQYMHSA-N 0 0 213.208 2.911 20 5 BFBDRN O=[N+]([O-])c1cc(OC2CC(F)(F)C2)ccc1F ZINC001225382546 974458545 /nfs/dbraw/zinc/45/85/45/974458545.db2.gz QDCVTSQLLCJFBG-UHFFFAOYSA-N 0 0 247.172 2.910 20 5 BFBDRN CC[C@@H](C)Oc1ccc(F)c([N+](=O)[O-])c1 ZINC001225382530 974459277 /nfs/dbraw/zinc/45/92/77/974459277.db2.gz PMEIETSXVRUKQV-SSDOTTSWSA-N 0 0 213.208 2.911 20 5 BFBDRN O=[N+]([O-])c1ccnc(Cl)c1OC1CCC1 ZINC001225430974 974484604 /nfs/dbraw/zinc/48/46/04/974484604.db2.gz IUVCZDJNPQMFNA-UHFFFAOYSA-N 0 0 228.635 2.575 20 5 BFBDRN O=[N+]([O-])c1ccnc(Cl)c1O[C@@H]1C=CCC1 ZINC001225435812 974487037 /nfs/dbraw/zinc/48/70/37/974487037.db2.gz VIZGJDJGMNEVRJ-SSDOTTSWSA-N 0 0 240.646 2.741 20 5 BFBDRN C[C@H](Oc1cncnc1)c1ccccc1[N+](=O)[O-] ZINC001225459831 974508537 /nfs/dbraw/zinc/50/85/37/974508537.db2.gz MMUINASFUNHVCZ-VIFPVBQESA-N 0 0 245.238 2.525 20 5 BFBDRN C[C@H]1CCC[C@@H]1Oc1ncccc1[N+](=O)[O-] ZINC001225590238 974580822 /nfs/dbraw/zinc/58/08/22/974580822.db2.gz MFOYEQLCEHGUSK-WPRPVWTQSA-N 0 0 222.244 2.557 20 5 BFBDRN O=[N+]([O-])c1cccnc1O[C@@H]1CCCC[C@H]1F ZINC001225594304 974583506 /nfs/dbraw/zinc/58/35/06/974583506.db2.gz DAIHMHDTNZOQEY-PSASIEDQSA-N 0 0 240.234 2.649 20 5 BFBDRN O=[N+]([O-])c1cccnc1O[C@@H]1CCCC[C@@H]1F ZINC001225594309 974583822 /nfs/dbraw/zinc/58/38/22/974583822.db2.gz DAIHMHDTNZOQEY-WCBMZHEXSA-N 0 0 240.234 2.649 20 5 BFBDRN C[C@@H](Oc1cccnc1[N+](=O)[O-])c1ccncc1 ZINC001225628010 974601370 /nfs/dbraw/zinc/60/13/70/974601370.db2.gz BCXZPOSMWIYBCU-SECBINFHSA-N 0 0 245.238 2.525 20 5 BFBDRN C[C@H]1CCCC[C@H]1Oc1cccnc1[N+](=O)[O-] ZINC001225628201 974605031 /nfs/dbraw/zinc/60/50/31/974605031.db2.gz DQIHRMRHJGZWSJ-VHSXEESVSA-N 0 0 236.271 2.947 20 5 BFBDRN C[C@H](Cc1ccco1)Oc1cccnc1[N+](=O)[O-] ZINC001225629523 974605183 /nfs/dbraw/zinc/60/51/83/974605183.db2.gz OMGXKQFQWGECRM-SECBINFHSA-N 0 0 248.238 2.593 20 5 BFBDRN CC[C@H](Oc1cccnc1[N+](=O)[O-])C(C)C ZINC001225630890 974607297 /nfs/dbraw/zinc/60/72/97/974607297.db2.gz AZIDCAMIHVRAMX-VIFPVBQESA-N 0 0 224.260 2.803 20 5 BFBDRN CO[C@@H](C)CCOc1cccc(C)c1[N+](=O)[O-] ZINC001225630839 974607460 /nfs/dbraw/zinc/60/74/60/974607460.db2.gz AGCVQQIQTBOESC-JTQLQIEISA-N 0 0 239.271 2.707 20 5 BFBDRN C[C@H]1CCC[C@H](Oc2cccnc2[N+](=O)[O-])C1 ZINC001225630432 974607670 /nfs/dbraw/zinc/60/76/70/974607670.db2.gz YJCUMKAKNJSLBV-UWVGGRQHSA-N 0 0 236.271 2.947 20 5 BFBDRN Cc1cccc(OC2CCC(=O)CC2)c1[N+](=O)[O-] ZINC001225632670 974609122 /nfs/dbraw/zinc/60/91/22/974609122.db2.gz NFWXNLUDOOPNLP-UHFFFAOYSA-N 0 0 249.266 2.794 20 5 BFBDRN O=[N+]([O-])c1c(F)cccc1O[C@H]1C=CCC1 ZINC001225668334 974634102 /nfs/dbraw/zinc/63/41/02/974634102.db2.gz YRKMFHGTZDQJDT-QMMMGPOBSA-N 0 0 223.203 2.831 20 5 BFBDRN CCO[C@H](C)COc1cccc(F)c1[N+](=O)[O-] ZINC001225666441 974635506 /nfs/dbraw/zinc/63/55/06/974635506.db2.gz JNDDULPIRNNCLF-MRVPVSSYSA-N 0 0 243.234 2.538 20 5 BFBDRN COc1ccc(O[C@@H]2C=CCC2)c([N+](=O)[O-])c1 ZINC001225770513 974676628 /nfs/dbraw/zinc/67/66/28/974676628.db2.gz WZWYJOFRGKHAIH-SECBINFHSA-N 0 0 235.239 2.701 20 5 BFBDRN O=[N+]([O-])c1cc(F)ccc1O[C@@H]1C[C@H]2C[C@H]2C1 ZINC001225905045 974726305 /nfs/dbraw/zinc/72/63/05/974726305.db2.gz NVKNTQYJLMJFCY-DIYOJNKTSA-N 0 0 237.230 2.911 20 5 BFBDRN CC[C@H](COC)Oc1ccc([N+](=O)[O-])c(F)c1 ZINC001225912109 974727461 /nfs/dbraw/zinc/72/74/61/974727461.db2.gz DVPQMLRVEUNDFN-MRVPVSSYSA-N 0 0 243.234 2.538 20 5 BFBDRN C[C@H](Oc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC001225947715 974739804 /nfs/dbraw/zinc/73/98/04/974739804.db2.gz JGMIUTWBFIONNI-ZETCQYMHSA-N 0 0 225.219 2.911 20 5 BFBDRN CO[C@H](C)CCOc1c(F)cccc1[N+](=O)[O-] ZINC001226007389 974760023 /nfs/dbraw/zinc/76/00/23/974760023.db2.gz OAJYNEMFFPBMDN-MRVPVSSYSA-N 0 0 243.234 2.538 20 5 BFBDRN C[C@H](Oc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC001226007072 974760324 /nfs/dbraw/zinc/76/03/24/974760324.db2.gz JIPVWVUXGLASDZ-ZETCQYMHSA-N 0 0 225.219 2.911 20 5 BFBDRN Cc1ccnc(O[C@H](C)C2CCC2)c1[N+](=O)[O-] ZINC001226115856 974797664 /nfs/dbraw/zinc/79/76/64/974797664.db2.gz JSSCIUSTWNBCQF-SECBINFHSA-N 0 0 236.271 2.866 20 5 BFBDRN Cc1ccnc(O[C@@H]2C[C@H]3C=C[C@@H]2C3)c1[N+](=O)[O-] ZINC001226117726 974799917 /nfs/dbraw/zinc/79/99/17/974799917.db2.gz GINZNAHPQBUUSJ-HBNTYKKESA-N 0 0 246.266 2.642 20 5 BFBDRN O=[N+]([O-])c1ccc(F)c(O[C@H]2C=CCC2)c1 ZINC001226269275 974843253 /nfs/dbraw/zinc/84/32/53/974843253.db2.gz CUGABENMQXNHRC-VIFPVBQESA-N 0 0 223.203 2.831 20 5 BFBDRN O=[N+]([O-])c1ccc(Cl)nc1O[C@@H]1C=CCC1 ZINC001226365098 974870265 /nfs/dbraw/zinc/87/02/65/974870265.db2.gz YDMPTDPOUFQINB-SSDOTTSWSA-N 0 0 240.646 2.741 20 5 BFBDRN O=[N+]([O-])c1ccc2c(c1)C[C@H](OCC1CCC1)C2 ZINC001206165436 974875309 /nfs/dbraw/zinc/87/53/09/974875309.db2.gz JYDJQSSBFFVOQB-CQSZACIVSA-N 0 0 247.294 2.879 20 5 BFBDRN COc1ccc([N+](=O)[O-])c(OC2CC=CC2)c1 ZINC001226443258 974899844 /nfs/dbraw/zinc/89/98/44/974899844.db2.gz PQOLCHCUWZZLHI-UHFFFAOYSA-N 0 0 235.239 2.701 20 5 BFBDRN Cc1cc(O[C@@H](C)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001226663013 975010342 /nfs/dbraw/zinc/01/03/42/975010342.db2.gz MYTAVPKWVQQMNI-VIFPVBQESA-N 0 0 247.254 2.766 20 5 BFBDRN O=[N+]([O-])c1cnc(O[C@@H]2CCC=CCCC2)nc1 ZINC001226733419 975051973 /nfs/dbraw/zinc/05/19/73/975051973.db2.gz PCTSTLLZECRXEH-LLVKDONJSA-N 0 0 249.270 2.653 20 5 BFBDRN C[C@@H]1CC[C@H](Oc2ncc(F)cc2[N+](=O)[O-])C1 ZINC001226752308 975056722 /nfs/dbraw/zinc/05/67/22/975056722.db2.gz AGPRUHBQRPIQMK-APPZFPTMSA-N 0 0 240.234 2.696 20 5 BFBDRN O=[N+]([O-])c1nccn1Cc1ccccc1C1CC1 ZINC001332322435 975057968 /nfs/dbraw/zinc/05/79/68/975057968.db2.gz JGXNRTBEZJWCSS-UHFFFAOYSA-N 0 0 243.266 2.717 20 5 BFBDRN Cc1cc([N+](=O)[O-])cnc1OC(C1CC1)C1CC1 ZINC001226761409 975061952 /nfs/dbraw/zinc/06/19/52/975061952.db2.gz HGJAZUZMZFFSCA-UHFFFAOYSA-N 0 0 248.282 2.866 20 5 BFBDRN Cc1cc([N+](=O)[O-])cnc1O[C@@H](C)C(C)C ZINC001226761426 975062758 /nfs/dbraw/zinc/06/27/58/975062758.db2.gz HNNHBMGNCQNHKP-VIFPVBQESA-N 0 0 224.260 2.722 20 5 BFBDRN CCC(=O)[C@@H](CC)Oc1cccc([N+](=O)[O-])c1 ZINC001226763599 975063041 /nfs/dbraw/zinc/06/30/41/975063041.db2.gz XGSKBOLYGNAEKB-GFCCVEGCSA-N 0 0 237.255 2.731 20 5 BFBDRN CCC(=O)[C@H](CC)Oc1cccc([N+](=O)[O-])c1 ZINC001226763601 975064161 /nfs/dbraw/zinc/06/41/61/975064161.db2.gz XGSKBOLYGNAEKB-LBPRGKRZSA-N 0 0 237.255 2.731 20 5 BFBDRN C[C@H](Oc1cccc([N+](=O)[O-])c1)c1cncnc1 ZINC001226763241 975064632 /nfs/dbraw/zinc/06/46/32/975064632.db2.gz NAOIDYGNFGGFOE-VIFPVBQESA-N 0 0 245.238 2.525 20 5 BFBDRN C[C@@H](Oc1ncccn1)c1cccc([N+](=O)[O-])c1 ZINC001226770152 975071098 /nfs/dbraw/zinc/07/10/98/975071098.db2.gz IUQNATDXUXJZOT-SECBINFHSA-N 0 0 245.238 2.525 20 5 BFBDRN Cc1cc(OC2CCC(=O)CC2)ccc1[N+](=O)[O-] ZINC001226841912 975117084 /nfs/dbraw/zinc/11/70/84/975117084.db2.gz PZFCIKPEOXNXCG-UHFFFAOYSA-N 0 0 249.266 2.794 20 5 BFBDRN CC[C@@H](COC)Oc1ccc([N+](=O)[O-])c(C)c1 ZINC001226840440 975119180 /nfs/dbraw/zinc/11/91/80/975119180.db2.gz FHCLXAMUEDPXIQ-JTQLQIEISA-N 0 0 239.271 2.707 20 5 BFBDRN C[C@H](Oc1ccnnc1)c1ccccc1[N+](=O)[O-] ZINC001226912254 975148503 /nfs/dbraw/zinc/14/85/03/975148503.db2.gz QBUJNNXXQFFVJD-VIFPVBQESA-N 0 0 245.238 2.525 20 5 BFBDRN Cc1cccc([N+](=O)[O-])c1OC1CCC(=O)CC1 ZINC001226968619 975196228 /nfs/dbraw/zinc/19/62/28/975196228.db2.gz HFGXXIPHNZLLKF-UHFFFAOYSA-N 0 0 249.266 2.794 20 5 BFBDRN CCOC[C@H](C)Oc1c(C)cccc1[N+](=O)[O-] ZINC001226969436 975196244 /nfs/dbraw/zinc/19/62/44/975196244.db2.gz ONRVBNJCXGBUEV-JTQLQIEISA-N 0 0 239.271 2.707 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(O[C@@H]2C=CCCC2)n1 ZINC001227062646 975248387 /nfs/dbraw/zinc/24/83/87/975248387.db2.gz RUDJTOFFTUCUML-SNVBAGLBSA-N 0 0 234.255 2.786 20 5 BFBDRN Cc1ccc([N+](=O)[O-])c(O[C@@H]2CCC[C@@H]2C)n1 ZINC001227066153 975252565 /nfs/dbraw/zinc/25/25/65/975252565.db2.gz FTBNXHOZJPVJLE-GZMMTYOYSA-N 0 0 236.271 2.866 20 5 BFBDRN CC[C@@H](C)Oc1ccc([N+](=O)[O-])cc1OC ZINC001227185397 975304981 /nfs/dbraw/zinc/30/49/81/975304981.db2.gz QLOINNOGCKRLOP-MRVPVSSYSA-N 0 0 225.244 2.781 20 5 BFBDRN O=[N+]([O-])c1cccc2oc(O[C@@H]3C=CCC3)nc21 ZINC001227236680 975320221 /nfs/dbraw/zinc/32/02/21/975320221.db2.gz XXBHKCHSVMVQBQ-MRVPVSSYSA-N 0 0 246.222 2.833 20 5 BFBDRN O=[N+]([O-])c1ccccc1OC1CC(F)(F)C1 ZINC001227478731 975459328 /nfs/dbraw/zinc/45/93/28/975459328.db2.gz BDPGDWIUMOADPO-UHFFFAOYSA-N 0 0 229.182 2.771 20 5 BFBDRN O=[N+]([O-])c1ccc(O[C@@H]2C[C@H]3C=C[C@@H]2C3)cc1 ZINC001227523661 975500594 /nfs/dbraw/zinc/50/05/94/975500594.db2.gz PEJRXLHJAQWDRQ-OPQQBVKSSA-N 0 0 231.251 2.938 20 5 BFBDRN C[C@@H](Oc1ccc([N+](=O)[O-])cc1)c1cnccn1 ZINC001227523188 975503203 /nfs/dbraw/zinc/50/32/03/975503203.db2.gz GFZJBGJSAQRYNN-SECBINFHSA-N 0 0 245.238 2.525 20 5 BFBDRN C[C@H](Oc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001227519600 975504081 /nfs/dbraw/zinc/50/40/81/975504081.db2.gz AUKAGWAJGYHYNE-QMMMGPOBSA-N 0 0 207.229 2.772 20 5 BFBDRN COc1cccc([N+](=O)[O-])c1O[C@@H](C)C1CC1 ZINC001227696519 975622821 /nfs/dbraw/zinc/62/28/21/975622821.db2.gz KXORLIAPCKIIOE-QMMMGPOBSA-N 0 0 237.255 2.781 20 5 BFBDRN O=[N+]([O-])c1cncc(OC2CCCCC2)c1 ZINC001227988813 975833781 /nfs/dbraw/zinc/83/37/81/975833781.db2.gz XULXTUSYYABGFL-UHFFFAOYSA-N 0 0 222.244 2.701 20 5 BFBDRN C[C@H]1CCC[C@@H](Oc2cncc([N+](=O)[O-])c2)C1 ZINC001227987605 975834780 /nfs/dbraw/zinc/83/47/80/975834780.db2.gz JAYOANOFOBOZHJ-GXSJLCMTSA-N 0 0 236.271 2.947 20 5 BFBDRN O=[N+]([O-])c1cncc(O[C@@H]2CCCC[C@H]2F)c1 ZINC001227990540 975835411 /nfs/dbraw/zinc/83/54/11/975835411.db2.gz MTEQVPIMGQFEDM-GHMZBOCLSA-N 0 0 240.234 2.649 20 5 BFBDRN C[C@@H](Oc1cncc([N+](=O)[O-])c1)c1ccccn1 ZINC001227987561 975835576 /nfs/dbraw/zinc/83/55/76/975835576.db2.gz HWQPAWBZGCHZEW-SECBINFHSA-N 0 0 245.238 2.525 20 5 BFBDRN O=[N+]([O-])c1cncc(O[C@H]2CCC(F)(F)C2)c1 ZINC001227990712 975837248 /nfs/dbraw/zinc/83/72/48/975837248.db2.gz PJQBIDWZABKSHY-QMMMGPOBSA-N 0 0 244.197 2.556 20 5 BFBDRN O=[N+]([O-])C[C@H](Oc1cccc2[nH]ccc21)C1CC1 ZINC001228180470 975972317 /nfs/dbraw/zinc/97/23/17/975972317.db2.gz SNTUFVULKMIXSY-ZDUSSCGKSA-N 0 0 246.266 2.602 20 5 BFBDRN O=[N+]([O-])c1cnc(NCCCC(F)F)c(F)c1 ZINC001333838041 976115921 /nfs/dbraw/zinc/11/59/21/976115921.db2.gz IHUVTPTZNXDHOI-UHFFFAOYSA-N 0 0 249.192 2.586 20 5 BFBDRN O=[N+]([O-])c1ccncc1O[C@H]1CCCC[C@H]1F ZINC001228882875 976548657 /nfs/dbraw/zinc/54/86/57/976548657.db2.gz REXQIPGAGFFIGJ-SCZZXKLOSA-N 0 0 240.234 2.649 20 5 BFBDRN O=[N+]([O-])c1ccc(O[C@H]2C=CCC2)nc1Cl ZINC001228938210 976588236 /nfs/dbraw/zinc/58/82/36/976588236.db2.gz NECLGUNEUXRXOG-ZETCQYMHSA-N 0 0 240.646 2.741 20 5 BFBDRN CC[C@@H](C)Oc1ccc([N+](=O)[O-])c(Cl)n1 ZINC001228934792 976590337 /nfs/dbraw/zinc/59/03/37/976590337.db2.gz ULPHPKYEPCYUTN-ZCFIWIBFSA-N 0 0 230.651 2.821 20 5 BFBDRN CC(=O)c1cccc(O[C@@H](C)C2CC2)c1[N+](=O)[O-] ZINC001229131406 976768212 /nfs/dbraw/zinc/76/82/12/976768212.db2.gz HVQIASCCCXJDNN-VIFPVBQESA-N 0 0 249.266 2.975 20 5 BFBDRN O=[N+]([O-])c1ccc(Nc2cc(F)ccn2)cc1 ZINC001174476104 976793925 /nfs/dbraw/zinc/79/39/25/976793925.db2.gz ZUKHSIDZRLGEHK-UHFFFAOYSA-N 0 0 233.202 2.873 20 5 BFBDRN COc1ccnc(Nc2ccc([N+](=O)[O-])cc2)c1 ZINC001174475659 976794625 /nfs/dbraw/zinc/79/46/25/976794625.db2.gz OIIVLWMWXCCHDV-UHFFFAOYSA-N 0 0 245.238 2.742 20 5 BFBDRN Cc1ncnc(C)c1Nc1ccc([N+](=O)[O-])cc1 ZINC001174477686 976795604 /nfs/dbraw/zinc/79/56/04/976795604.db2.gz VRAPOQPHYJTXPR-UHFFFAOYSA-N 0 0 244.254 2.745 20 5 BFBDRN CCc1nccnc1Nc1ccc([N+](=O)[O-])cc1 ZINC001174477065 976797475 /nfs/dbraw/zinc/79/74/75/976797475.db2.gz JUHVGJWLBMGICP-UHFFFAOYSA-N 0 0 244.254 2.691 20 5 BFBDRN Cc1ncc(Nc2ccc([N+](=O)[O-])cc2)nc1C ZINC001174476728 976797771 /nfs/dbraw/zinc/79/77/71/976797771.db2.gz DMYQEJRQCCTTND-UHFFFAOYSA-N 0 0 244.254 2.745 20 5 BFBDRN O=[N+]([O-])c1ccc(Nc2cnsc2)cc1 ZINC001174476912 976797996 /nfs/dbraw/zinc/79/79/96/976797996.db2.gz CFXBRXOULZDSMF-UHFFFAOYSA-N 0 0 221.241 2.795 20 5 BFBDRN CC(C)Oc1cc([N+](=O)[O-])cc2cccnc21 ZINC001229342605 976843013 /nfs/dbraw/zinc/84/30/13/976843013.db2.gz LJQSAJLPYVTRGQ-UHFFFAOYSA-N 0 0 232.239 2.930 20 5 BFBDRN CC(C)[C@H](C)Oc1cc([N+](=O)[O-])ccc1O ZINC001229395883 976858355 /nfs/dbraw/zinc/85/83/55/976858355.db2.gz MUTGCCJHJAIJNL-QMMMGPOBSA-N 0 0 225.244 2.724 20 5 BFBDRN CC[C@H](C)Oc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001229485649 976880132 /nfs/dbraw/zinc/88/01/32/976880132.db2.gz CHAHVCQWZIPGRR-ZETCQYMHSA-N 0 0 236.227 2.913 20 5 BFBDRN CC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])c(C)c1C ZINC001229881642 977014881 /nfs/dbraw/zinc/01/48/81/977014881.db2.gz FARJKCCSFCMJRH-JTQLQIEISA-N 0 0 237.255 2.568 20 5 BFBDRN CC[C@H](C)Oc1ccc([N+](=O)[O-])nc1Cl ZINC001229915266 977029466 /nfs/dbraw/zinc/02/94/66/977029466.db2.gz MZHRPVQXZBIRGJ-LURJTMIESA-N 0 0 230.651 2.821 20 5 BFBDRN CCOC[C@H](C)Oc1ccc(C)cc1[N+](=O)[O-] ZINC001230142928 977120285 /nfs/dbraw/zinc/12/02/85/977120285.db2.gz DFUBQDGUNGKTGQ-JTQLQIEISA-N 0 0 239.271 2.707 20 5 BFBDRN O=[N+]([O-])C[C@@H](Oc1cc2ccccc2[nH]1)C1CC1 ZINC001230744386 977323348 /nfs/dbraw/zinc/32/33/48/977323348.db2.gz NEGGAFXQXHNJIV-GFCCVEGCSA-N 0 0 246.266 2.602 20 5 BFBDRN Cc1cccc(F)c1O[C@H](C[N+](=O)[O-])C1CC1 ZINC001231029257 977435253 /nfs/dbraw/zinc/43/52/53/977435253.db2.gz AVNWMKDLMICXJB-LLVKDONJSA-N 0 0 239.246 2.568 20 5 BFBDRN O=c1ccc(Nc2cc([N+](=O)[O-])ccc2F)c[nH]1 ZINC001175735547 977669262 /nfs/dbraw/zinc/66/92/62/977669262.db2.gz WODRKBRGDNVRTA-UHFFFAOYSA-N 0 0 249.201 2.578 20 5 BFBDRN Cc1ncncc1Nc1cc([N+](=O)[O-])ccc1F ZINC001175736563 977675820 /nfs/dbraw/zinc/67/58/20/977675820.db2.gz ZXFLVNSOZPVVRR-UHFFFAOYSA-N 0 0 248.217 2.576 20 5 BFBDRN O=[N+]([O-])c1ccccc1NCCC1CSC1 ZINC001336806566 977974729 /nfs/dbraw/zinc/97/47/29/977974729.db2.gz QSKLHBYAIIQHSX-UHFFFAOYSA-N 0 0 238.312 2.760 20 5 BFBDRN O=[N+]([O-])c1cc(F)cc(F)c1OC1CCC1 ZINC001233697094 978676182 /nfs/dbraw/zinc/67/61/82/978676182.db2.gz WSELAYRLJABJQR-UHFFFAOYSA-N 0 0 229.182 2.804 20 5 BFBDRN C[C@H]1CCC[C@@H]1Oc1ccnc([N+](=O)[O-])c1 ZINC001233854808 978713106 /nfs/dbraw/zinc/71/31/06/978713106.db2.gz ISWBEEGGMCFVNV-WPRPVWTQSA-N 0 0 222.244 2.557 20 5 BFBDRN O=[N+]([O-])c1cc(OC(C2CC2)C2CC2)ccn1 ZINC001233856712 978714419 /nfs/dbraw/zinc/71/44/19/978714419.db2.gz FGQODKSIQGOMEH-UHFFFAOYSA-N 0 0 234.255 2.557 20 5 BFBDRN C[C@@H](Oc1ccnc([N+](=O)[O-])c1)C1CCC1 ZINC001233858649 978715313 /nfs/dbraw/zinc/71/53/13/978715313.db2.gz YDYJLOYZJAJZQH-MRVPVSSYSA-N 0 0 222.244 2.557 20 5 BFBDRN Cc1c[nH]c(O[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC001234096693 978775136 /nfs/dbraw/zinc/77/51/36/978775136.db2.gz ZFRCUMSGQQTHER-VIFPVBQESA-N 0 0 247.254 2.766 20 5 BFBDRN Cc1ccc(CCO[C@H](C[N+](=O)[O-])C2CC2)cc1 ZINC001206416728 978870840 /nfs/dbraw/zinc/87/08/40/978870840.db2.gz PHMMITTZVFRPQM-CQSZACIVSA-N 0 0 249.310 2.609 20 5 BFBDRN CC(C)Oc1nccc2c1cccc2[N+](=O)[O-] ZINC001234674600 978898389 /nfs/dbraw/zinc/89/83/89/978898389.db2.gz QTHIHXVDYBPVLE-UHFFFAOYSA-N 0 0 232.239 2.930 20 5 BFBDRN O=[N+]([O-])c1ccc(Nc2ccccc2F)cn1 ZINC001203571701 979842695 /nfs/dbraw/zinc/84/26/95/979842695.db2.gz OCPLFOYFTLOHCP-UHFFFAOYSA-N 0 0 233.202 2.873 20 5 BFBDRN O=[N+]([O-])c1ccc(Nc2ccc(O)cc2F)cn1 ZINC001203572587 979856587 /nfs/dbraw/zinc/85/65/87/979856587.db2.gz ZEKCTTZLVUBNKC-UHFFFAOYSA-N 0 0 249.201 2.578 20 5 BFBDRN Cc1cncc([N+](=O)[O-])c1N[C@H]1CC[C@H](C)CC1 ZINC001346044267 980738263 /nfs/dbraw/zinc/73/82/63/980738263.db2.gz NYKBSIGELMOBNT-HOMQSWHASA-N 0 0 249.314 2.711 20 5 BFBDRN CC[C@H](C[N+](=O)[O-])OC(=O)CC1(C)CCCC1 ZINC001346195671 980780301 /nfs/dbraw/zinc/78/03/01/980780301.db2.gz ASKNOCHFKJFJBE-SNVBAGLBSA-N 0 0 243.303 2.555 20 5 BFBDRN O=[N+]([O-])c1cc(O)cc(Nc2ccc(F)cn2)c1 ZINC001199802474 983022383 /nfs/dbraw/zinc/02/23/83/983022383.db2.gz QVXQEDJNJBGZRV-UHFFFAOYSA-N 0 0 249.201 2.578 20 5 BFBDRN Cc1nc(NCCCC(F)F)ccc1[N+](=O)[O-] ZINC001355335757 983474942 /nfs/dbraw/zinc/47/49/42/983474942.db2.gz SPYRFJRSEUXUTE-UHFFFAOYSA-N 0 0 245.229 2.755 20 5 BFBDRN CC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H](C)C1CC1 ZINC000719108527 984615989 /nfs/dbraw/zinc/61/59/89/984615989.db2.gz KZNBIIXDOISYDK-VIFPVBQESA-N 0 0 249.266 2.975 20 5 BFBDRN O=[N+]([O-])c1ccccc1N[C@H]1COC2(CCC2)C1 ZINC000688315069 985607427 /nfs/dbraw/zinc/60/74/27/985607427.db2.gz NSPQIIOPKMONLW-SNVBAGLBSA-N 0 0 248.282 2.718 20 5 BFBDRN CC1(C)CN(c2ccc([N+](=O)[O-])cn2)C1(C)C ZINC001116191854 987466508 /nfs/dbraw/zinc/46/65/08/987466508.db2.gz QVDIEONFGLOVDO-UHFFFAOYSA-N 0 0 235.287 2.615 20 5 BFBDRN Cc1ncc([N+](=O)[O-])cc1Nc1ccc(F)cn1 ZINC001248745916 989139814 /nfs/dbraw/zinc/13/98/14/989139814.db2.gz IQWCAVFXKWWGEK-UHFFFAOYSA-N 0 0 248.217 2.576 20 5 BFBDRN CCCCC[S@](=O)c1cccc([N+](=O)[O-])c1 ZINC001119555486 989164170 /nfs/dbraw/zinc/16/41/70/989164170.db2.gz OTZIURXJHQLRON-INIZCTEOSA-N 0 0 241.312 2.893 20 5 BFBDRN C[C@@H](NC(=O)CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC001119641860 989279891 /nfs/dbraw/zinc/27/98/91/989279891.db2.gz HKPLJNOGOFMXCD-SECBINFHSA-N 0 0 248.282 2.572 20 5 BFBDRN Cc1ncc([N+](=O)[O-])cc1Nc1cccc(O)c1 ZINC001249546202 989306596 /nfs/dbraw/zinc/30/65/96/989306596.db2.gz RBLWHAHFNIVRSY-UHFFFAOYSA-N 0 0 245.238 2.747 20 5 BFBDRN CC[C@@H](F)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001120480661 989664486 /nfs/dbraw/zinc/66/44/86/989664486.db2.gz AGVKXTBYZHBVQR-MRVPVSSYSA-N 0 0 240.234 2.590 20 5 BFBDRN CCc1nnc([C@@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC001326954526 989789010 /nfs/dbraw/zinc/78/90/10/989789010.db2.gz IJHURYSZZOCHFK-QMMMGPOBSA-N 0 0 247.254 2.692 20 5 BFBDRN Cc1cnc(N2CC[C@@H]2C(C)(C)C)c([N+](=O)[O-])c1 ZINC001120904747 989959554 /nfs/dbraw/zinc/95/95/54/989959554.db2.gz MTIIVMUQHHIVLR-LLVKDONJSA-N 0 0 249.314 2.923 20 5 BFBDRN CC[C@H](C[N+](=O)[O-])OC(=O)C(C)(C)CC(C)C ZINC001526656019 990168988 /nfs/dbraw/zinc/16/89/88/990168988.db2.gz YDRIZAGUXZFWSM-SNVBAGLBSA-N 0 0 245.319 2.657 20 5 BFBDRN CCCC1(C(=O)O[C@H](CC)C[N+](=O)[O-])CCC1 ZINC001123355926 990558776 /nfs/dbraw/zinc/55/87/76/990558776.db2.gz XAFXSJOGSAQDFS-SNVBAGLBSA-N 0 0 243.303 2.555 20 5 BFBDRN Cc1cncc([N+](=O)[O-])c1N[C@H]1CCC(C)(C)C1 ZINC001328591204 991391468 /nfs/dbraw/zinc/39/14/68/991391468.db2.gz RANFLUWUGAFAKV-JTQLQIEISA-N 0 0 249.314 2.711 20 5 BFBDRN Cc1cc(N2CC(C)(C)C2(C)C)ncc1[N+](=O)[O-] ZINC001318944355 991746493 /nfs/dbraw/zinc/74/64/93/991746493.db2.gz WSSDUVIWTFESRD-UHFFFAOYSA-N 0 0 249.314 2.923 20 5 BFBDRN Cc1cncc([N+](=O)[O-])c1N1C[C@H](C)[C@H](C)[C@H]1C ZINC001261378656 992282470 /nfs/dbraw/zinc/28/24/70/992282470.db2.gz FURGOPXDPYJRDB-GARJFASQSA-N 0 0 249.314 2.779 20 5 BFBDRN CC1(C)CN(c2ncc([N+](=O)[O-])s2)C1(C)C ZINC001321366335 992526567 /nfs/dbraw/zinc/52/65/67/992526567.db2.gz JTKUJLSOZHPJIE-UHFFFAOYSA-N 0 0 241.316 2.676 20 5 BFBDRN O=[N+]([O-])c1ccnc(NC2CC3(CCC3)C2)c1 ZINC000700074707 993821520 /nfs/dbraw/zinc/82/15/20/993821520.db2.gz JVJLXMSDYYAOFT-UHFFFAOYSA-N 0 0 233.271 2.734 20 5 BFBDRN C=C/C=C/CC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001290028540 994515455 /nfs/dbraw/zinc/51/54/55/994515455.db2.gz LFDSOZGWPAHLTB-SNAWJCMRSA-N 0 0 246.266 2.974 20 5 BFBDRN O=[N+]([O-])c1ccnn1C[C@H]1CC2CCC1CC2 ZINC001307288978 995311183 /nfs/dbraw/zinc/31/11/83/995311183.db2.gz OLLALZUPMYSNRG-VQXHTEKXSA-N 0 0 235.287 2.618 20 5 BFBDRN