smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)n(O)c1=NC1CCCCC1 263592116 LSDSBWSQLMBZGV-UHFFFAOYSA-N 361.358 1.824 5 3 FDBF CO[C@@H]1C=C[C@@]23c4cc5c(cc4C[N@+](C)(C[C@H]2OC(C)=O)[C@H]3C1)OCO5 253668441 PAZUNHBDXHNMHY-DNFQIOANSA-N 358.414 1.902 5 1 FDBF Cc1ncc([N+](=O)[O-])n1CC[N@@+](C)([O-])CCCCn1ccnc1[N+](=O)[O-] 299815141 CQNLNQRXIOPBLX-NRFANRHFSA-N 367.366 1.629 5 1 FDBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(-n4cnnn4)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587263736 OCDHPVOEYWETPW-ADEWGFFLSA-N 355.358 1.199 5 1 FDBF NC(=O)c1cc([N+](=O)[O-])c(NCCCC(=O)O)cc1NCc1cccnc1 95920783 UOLGTPNXRYIVCE-UHFFFAOYSA-N 373.369 1.978 5 1 FDBF in-vitro CCN1CCN(C(=S)SC[C@@H](O)Cn2cc([N+](=O)[O-])nc2C)CC1 1772598407 YILRORDEFRXGLI-LBPRGKRZSA-N 373.504 1.116 5 1 FDBF CCOC(=O)c1nnn(CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C 45384513 WEZDYGZKGPYDGC-UHFFFAOYSA-N 354.344 1.103 5 1 FDBF CC1(C)[C@@H](n2cnc3ccccc3c2=O)C(=O)C[C@@H]2[C@@H](O)CCC[N+]21[O-] 26574193 GLLVUDAEIXXQDP-UBJSEWAQSA-N 357.410 1.527 5 1 FDBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(F)cnc2[nH]1 587271641 DJEVPFNJVWDRQI-RYUDHWBXSA-N 361.289 1.038 5 1 FDBF Nc1cccc2c(=O)c3c(sc4c(=O)c5cccc(N)c5c(=O)c43)c(=O)c12 1857597630 MYOPBSQHVWQXFF-UHFFFAOYSA-N 374.377 1.842 5 1 FDBF Cc1c(NC(=O)[C@@H](CC(=O)O)NC(=O)C(F)(F)F)cccc1[N+](=O)[O-] 29403969 NEBZWXOLIYGNTE-MRVPVSSYSA-N 363.248 1.364 5 1 FDBF CCN(C)C(=O)c1cnc(N2CCOCC2)nc1-c1cccc([N+](=O)[O-])c1 82136077 HFTPVDDVKKGOMY-UHFFFAOYSA-N 371.397 1.980 5 1 FDBF C/C=C1/C[N+]2(C)CC[C@@]34c5ccccc5N[C@]32[C@H](O)C[C@@H]1[C@@]4(CO)C(=O)O 197393504 AHPUGTDAOMLACC-HSQDWNHPSA-O 371.457 1.301 5 1 FDBF Nc1cc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2cn1 587272074 LWXVRHXIRUESCA-NSHDSACASA-N 355.358 1.347 5 1 FDBF Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587274595 QLCAQJHTCWRGSG-UHFFFAOYSA-N 364.387 1.275 5 1 FDBF CC[N+]1(CC)CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC 28005450 NGZPKDXNCYGGAC-ZDUSSCGKSA-O 370.495 1.091 5 1 FDBF COc1cc(OC)cc(-n2c3nc(=O)n(C)c(=O)c-3nc3ccccc32)c1 29480827 LYROIZPOBJIYCZ-UHFFFAOYSA-N 364.361 1.601 5 1 FDBF CCn1nc(C(=O)N(C)C)c2c(C)n(-c3cccc([N+](=O)[O-])c3)nc2c1=O 49070740 QKFHSCNEYNGWEX-UHFFFAOYSA-N 370.369 1.521 5 1 FDBF C[C@@H]1CC(=O)[C@H](Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)[C@H]1C[N+](=O)[O-] 587262183 FUCMXAUTXQYOAH-PRJMDXOYSA-N 357.292 1.984 5 1 FDBF Cc1ncc([N+](=O)[O-])n1CCNC(=O)CCCCn1ccnc1[N+](=O)[O-] 12971188 QRJAWFYCJLNBRT-UHFFFAOYSA-N 365.350 1.191 5 1 FDBF O=C(Oc1ccc(C[C@H]2NC(=S)NC2=O)cc1)c1cccc([N+](=O)[O-])c1 103199516 DGSKWKSXCXMIIP-CQSZACIVSA-N 371.374 1.729 5 1 FDBF N[C@@H](CCc1nc2cc(F)cnc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587270955 UZUYDEGZZQBGPX-LBPRGKRZSA-N 358.333 1.904 5 1 FDBF CNC1=C([N+](=O)[O-])[C@H](c2ccc(Br)cc2)N=C2N=CNN21 1911576309 LDHJGOQNUIHGGH-VIFPVBQESA-N 351.164 1.374 5 1 FDBF O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)n(O)c1=Nc1ccccc1 263592224 GCOAGOGHZSWKLF-UHFFFAOYSA-N 355.310 1.823 5 3 FDBF CCn1c2cc(N3CCN(C)CC3)c(N)cc2c(=O)c2c(O)cc(O)cc21 96900782 KSYDLCFTXKMJLR-UHFFFAOYSA-N 368.437 1.920 5 1 FDBF O=C1c2cc(N3CCOCC3)c([N+](=O)[O-])cc2C(=O)N1C[C@@H]1CCCO1 4686389 GLCYHNVEMCUXNG-NSHDSACASA-N 361.354 1.206 5 1 FDBF COc1cccc2c(=O)c3c(O)cc4c(c3oc12)C[C@H]([C@](C)(O)CO)O4 28470089 GQURDLOQVKSMMA-AUUYWEPGSA-N 358.346 1.707 5 1 FDBF COC(=O)[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 16922037 SSRRQMBEWVHEPU-CQSZACIVSA-N 350.352 1.787 5 1 FDBF biogenic O=C(O)c1cccc2c1CCN[C@]2(Cc1ccccc1[N+](=O)[O-])C(=O)O 963121040 IORWHHMAMGIWNO-SFHVURJKSA-N 356.334 1.961 5 1 FDBF CN(C)CCNC(=O)CCCCCNc1ccc([N+](=O)[O-])c2nonc12 59047006 WIOHDRVBBRICQL-UHFFFAOYSA-N 364.406 1.781 5 1 FDBF in-vitro C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 586960518 ZAJLXEZWBZMBRY-CQSZACIVSA-N 363.355 1.335 5 1 FDBF O=C1NC(=O)C(c2ccccc2[N+](=O)[O-])=C1Nc1cccc(C(=O)O)c1 27726018 BGJKGZJJYGJJST-UHFFFAOYSA-N 353.290 1.773 5 1 FDBF O=C(O)[C@H]1[C@H](c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)[C@H]1C(=O)O 587970640 LZIDCRJRTPFPMT-WHUPJOBBSA-N 370.115 1.732 5 1 FDBF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 586958272 HESBLQJFHFJYFY-AWEZNQCLSA-N 363.355 1.335 5 1 FDBF COc1cccc2c(=O)c3c(NN)ccc(C(=O)NCCN(C)C)c3[nH]c12 1772619770 BHTZURXVWCQUSH-UHFFFAOYSA-N 369.425 1.267 5 1 FDBF CC(C)(O)[C@H]1Oc2c(O)cc3oc4cc(O)cc(O)c4c(=O)c3c2[C@@H]1O 14514252 QJHHEMWYGFIDMW-RDJZCZTQSA-N 360.318 1.628 5 1 FDBF biogenic O=C(NCc1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12)Nc1ccccc1 27554569 ACIHMASYYVJDBP-UHFFFAOYSA-N 355.310 1.446 5 1 FDBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(N3CCOCC3)nc1)C2 653791965 QSZMCGLKSYECOR-ZDUSSCGKSA-N 361.358 1.001 5 1 FDBF C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC1=O)[C@H]23 100202682 PLGBHVNNYDZWGZ-YIVRHVGISA-N 351.399 1.205 5 1 FDBF in-vitro NS(=O)(=O)c1cc(NC(=O)Nc2ccccc2)c(O)c([N+](=O)[O-])c1 1857772250 GJANUMHAYGYMKI-UHFFFAOYSA-N 352.328 1.592 5 1 FDBF COc1cc(O)cc2c([C@@H]3CC(=O)NC3=O)c3oc(C)cc(=O)c3c(O)c12 2356752148 GFEMRSYHGJQOEC-JTQLQIEISA-N 369.329 1.805 5 1 FDBF Cc1ccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1 587271247 BEDYIQIKNXPGBV-GJZGRUSLSA-N 356.338 1.813 5 1 FDBF CN1CCc2c(c(Br)c([N+](=O)[O-])c3nc(O)c(=O)[nH]c23)C1 13743330 NENSCQVKSIWVEO-UHFFFAOYSA-N 355.148 1.287 5 1 FDBF COC(=O)c1nc2ccccc2n1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 26657725 BDALQQGMPGFMMC-UHFFFAOYSA-N 361.335 1.968 5 1 FDBF NC(=O)CC[C@H](NC(=O)c1cccc2nc3ccccc3nc12)C(=O)O 169321491 AZJBQZJOFDQPKO-AWEZNQCLSA-N 352.350 1.232 5 1 FDBF C[C@@H](NC(=O)CCC[P@@](=O)(O)Oc1ccc([N+](=O)[O-])cc1)C(=O)O 6491491 KBXXIYHMPQZHCH-SECBINFHSA-N 360.259 1.529 5 1 FDBF in-vivo C/C=C(/C)C(=O)O[C@H]1CC[N+]2([O-])CC[C@@H](COC(=O)/C(=C\C)CO)[C@H]12 238736920 MUIDVKVQYZTVRF-YRIUDZDXSA-N 353.415 1.453 5 1 FDBF O=[N+]([O-])c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)o1 653790223 VBOOCAKYIBKIPB-UHFFFAOYSA-N 351.384 1.694 5 1 FDBF CCN(CCN(C)Cl)[N+](=O)NOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 377830442 QRNUSVFOJGAUPM-UHFFFAOYSA-N 363.738 1.403 5 1 FDBF CC(C)(C)OC(=O)N[C@@H](Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)C(=O)O 25991151 UDSNLIDNCZEQPC-VIFPVBQESA-N 371.302 1.729 5 1 FDBF CN1N=C(O[C@H]2c3ccc([N+](=O)[O-])cc3OC(C)(C)[C@H]2O)[C@@H]2C[C@@H]2C1=O 27442360 AHVNKDIUGVPJEP-XWUBHJNHSA-N 361.354 1.606 5 1 FDBF COc1ccc(-n2nc([N+](=O)[O-])c(=NCCc3ccccc3)n2O)cc1 263592223 DVMWQSZSSKSKSE-UHFFFAOYSA-N 355.354 1.971 5 3 FDBF O=C1c2cc(N3CCOCC3)c([N+](=O)[O-])cc2C(=O)N1C[C@H]1CCCO1 4686391 GLCYHNVEMCUXNG-LLVKDONJSA-N 361.354 1.206 5 1 FDBF Nc1nccc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 587271174 CNUJDCZXIQWQBY-NSHDSACASA-N 355.358 1.347 5 1 FDBF CC1CCC(NS(=O)(=O)Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)CC1 586953708 YCIIKACUCPDPGG-UHFFFAOYSA-N 353.404 1.864 5 1 FDBF CN1CCN(c2ccc([C@@H]3CC(c4ccc([N+](=O)[O-])o4)=NO3)cn2)C(=O)C1 95561212 OFNMIOPMUGTZHI-AWEZNQCLSA-N 371.353 1.727 5 1 FDBF Cn1nc([N+](=O)[O-])cc1-c1nc2cc(I)cnc2[nH]1 587273510 DDPCSMLYBYSRLX-UHFFFAOYSA-N 370.110 1.871 5 1 FDBF CC1=CC(=O)O[C@@H]2CC[N@+]3([O-])CC[C@H](COC(=O)[C@](C)(O)[C@@H](C)C1)[C@H]23 2356322039 PFFVEHWOTBKSGU-FVPQADSYSA-N 353.415 1.285 5 1 FDBF COc1nccc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 587274438 XTCRIBDAINJTRL-LBPRGKRZSA-N 370.369 1.773 5 1 FDBF CN(C)CCNC(=O)c1cccc2nc3ccc4c(=O)[nH]ccc4c3nc12 27766236 LPEOTLMZRKHBID-UHFFFAOYSA-N 361.405 1.916 5 1 FDBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c[nH]c(=N)[nH]c-2n1 587266850 POJWJGUCPVNWMN-UPONEAKYSA-N 374.317 1.067 5 1 FDBF COc1cc(O)c2c(=O)c3cc(N)c(N4CCN(C)CC4)cc3n(C)c2c1 26259526 NAKFWEWPKIUIAM-UHFFFAOYSA-N 368.437 1.740 5 1 FDBF CO[C@@H]1C=C[C@@]23c4cc5c(cc4C[N@+](C)(C[C@H]2OC(C)=O)[C@@H]3C1)OCO5 253668435 PAZUNHBDXHNMHY-DIDAFVSYSA-N 358.414 1.902 5 1 FDBF O=C1CN(c2ccccc2)C(=O)N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 13763575 XYVDRLPWUBVVHJ-UHFFFAOYSA-N 361.335 1.752 5 1 FDBF CO[C@@]1(c2ccccc2)c2cc([N+](=O)[O-])ccc2NC(=O)CN1[N+](=O)[O-] 33829251 CVMINZNNCYAHTH-INIZCTEOSA-N 358.310 1.888 5 1 FDBF NCCCNCCCCNCCCNc1ccc([N+](=O)[O-])c2nonc12 43015767 IQAHDDGIKMBQOC-UHFFFAOYSA-N 365.438 1.241 5 1 FDBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587267186 GKUJBSMCEPDRME-MRVPVSSYSA-N 350.360 1.233 5 1 FDBF COC(=O)C1=Cc2cc(OC)cc([N+](=O)[O-])c2O[C@@H]1N1CCOCC1 19904342 YAJGXCVTOWPFGL-HNNXBMFYSA-N 350.327 1.211 5 3 FDBF NC(=O)CC[C@@H](C(=O)O)N1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O 49052890 WGDHFVRKINOMFE-LBPRGKRZSA-N 371.305 1.063 5 1 FDBF O=[N+]([O-])c1cn2c(n1)[S@@](=O)C[C@H](Oc1ccc(C(F)(F)F)cn1)C2 1857640141 HXZVNSUGOPEYMQ-VPCRFOHKSA-N 362.289 1.774 5 1 FDBF CC[N+](C)(C)CCCNC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C 101992503 BXZGHEQWADNKNX-UHFFFAOYSA-O 368.479 1.150 5 1 FDBF C[C@@H]1CC(=O)[C@H](Cc2nc3c(S)nc(S)nc3[nH]2)[C@@H]1C[N+](=O)[O-] 587261930 FDAZRLONBNBWCE-FSDSQADBSA-N 353.429 1.591 5 1 FDBF CCc1nc(N)nc(N)c1-c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1 26497910 RKZXGAFJQCLNHV-UHFFFAOYSA-N 357.418 1.530 5 1 FDBF CC(C)Cn1c(=O)n(C)c(=O)c2c1ncn2Cc1ccc([N+](=O)[O-])cc1 169339049 YEOGPBHTYVACBE-UHFFFAOYSA-N 357.370 1.509 5 1 FDBF CC(=O)Nc1cc(O)c(-c2ccc3c(O)nc(O)nc3n2)cc1[N+](=O)[O-] 587554161 JGNHGTCSNHTLFK-UHFFFAOYSA-N 357.282 1.675 5 1 FDBF COc1cc(COC(=O)N2CSC[C@@H]2C(=O)O)c([N+](=O)[O-])cc1OC 1634804 HLCVGBQZVARFNV-SNVBAGLBSA-N 372.355 1.708 5 1 FDBF COC(=O)[C@@]1(O)C[C@@]23C=CC[N+]4([O-])CC[C@@]5(c6ccccc6N[C@]15[C@H]2C)[C@H]34 95912267 SZURHNIKTSQFGG-NWMARJRKSA-N 368.433 1.689 5 1 FDBF biogenic,in-vitro CO[C@@H]1C=C[C@@]23c4cc5c(cc4C[N+](C)(C[C@H]2OC(C)=O)[C@H]3C1)OCO5 40822817 PAZUNHBDXHNMHY-XNBQXLMUSA-N 358.414 1.902 5 1 FDBF CN1N=C(O[C@@H]2c3ccc([N+](=O)[O-])cc3OC(C)(C)[C@@H]2O)[C@@H]2C[C@H]2C1=O 253848530 AHVNKDIUGVPJEP-HBJVGIJOSA-N 361.354 1.606 5 1 FDBF CN(C)CCNC(=O)c1ccc([N+](=O)[O-])c2c(O)c3cnccc3nc12 27656568 KDYAVAFCBKXGHE-UHFFFAOYSA-N 355.354 1.688 5 1 FDBF O=C(Cc1ccc([N+](=O)[O-])cc1)NCCNC[C@H](O)COc1ccccc1 28262907 DZZPHTIXGMLMGJ-KRWDZBQOSA-N 373.409 1.283 5 1 FDBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cccc(S(N)(=O)=O)c2[nH]1 587267573 NQFKUURLGKFDMA-MRVPVSSYSA-N 350.360 1.233 5 1 FDBF NCCOCCOCCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587246377 QRELZLIXUOPUKI-UHFFFAOYSA-N 373.207 1.768 5 1 FDBF COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1O[C@@H]1COc1ccc([N+](=O)[O-])cc1 26724478 IUVMRXAQHYAPAZ-RBSFLKMASA-N 366.370 1.445 5 1 FDBF COc1ccc(C=c2nc(O)c(=Cc3ccc([N+](=O)[O-])cc3)nc2O)cc1 253639150 YNESJSJEJSVHGA-UHFFFAOYSA-N 365.345 1.462 5 1 FDBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c[nH]c(=N)[nH]c-2n1 587266849 POJWJGUCPVNWMN-KSBSHMNSSA-N 374.317 1.067 5 1 FDBF CC1=CC(=O)O[C@@H]2CC[N@+]3([O-])CC=C(COC(=O)[C@](C)(O)[C@@H](C)C1)[C@H]23 2356305094 NBOUCSAONIKVHC-GYYDRFEXSA-N 351.399 1.205 5 1 FDBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc4c(cc3[nH]2)OCC(=O)N4)[C@@H]1C[N+](=O)[O-] 587265724 XNCLKGGQHJHPLG-OPRDCNLKSA-N 358.354 1.554 5 1 FDBF COc1cc2c3c(c1)O[C@@](c1ccc([N+](=O)[O-])cc1)(C(O)O)[C@@H](C2)C3=O 587434641 XNXYKRKMUWNYGS-SCLBCKFNSA-N 357.318 1.557 5 1 FDBF C/C=C1/C[C@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC1=O)[C@@H]23 17420917 PLGBHVNNYDZWGZ-UHLIBGFFSA-N 351.399 1.205 5 1 FDBF in-vitro CN1CCC(N2C[C@@H](O)C[C@H]2c2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 2356833392 DSVFRFARPPIPJJ-HOTGVXAUSA-N 373.413 1.847 5 1 FDBF C/C=C1/C[C@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC1=O)[C@H]23 34871303 PLGBHVNNYDZWGZ-DEDUPJMDSA-N 351.399 1.205 5 1 FDBF in-vitro CNS(=O)(=O)N1CCC(c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)CC1 586954596 KVIPKOVSHPHIPD-UHFFFAOYSA-N 357.367 1.254 5 1 FDBF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 586957539 ALOIKQQTQDQAGG-OAHLLOKOSA-N 362.367 1.940 5 1 FDBF N[C@@H](Cc1ccccc1)C(=O)OCc1cn(-c2ccc([N+](=O)[O-])cc2)nn1 1772639741 OAEJVKMWTSBUJP-KRWDZBQOSA-N 367.365 1.789 5 1 FDBF COc1cc(N2C(=O)[C@@H](O)[C@H]2c2ccc([N+](=O)[O-])o2)cc(OC)c1OC 26164002 JBOKIFBCJUXOEW-KGLIPLIRSA-N 364.310 1.662 5 1 FDBF CN1CCc2c(sc(NC(=O)c3cccc([N+](=O)[O-])c3)c2C(N)=O)C1 103242799 SPVJHIDCMLXKAW-UHFFFAOYSA-N 360.395 1.995 5 1 FDBF CC1(C)COCN1c1nc2c(cc1[N+](=O)[O-])c(=O)c(C(=O)O)cn2C1CC1 28868408 OKYKDGRMXHIKIL-UHFFFAOYSA-N 374.353 1.911 5 1 FDBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2nc(Br)c[nH]c-2n1 587275668 FPLJEHZIIFBUGG-ZCFIWIBFSA-N 352.152 1.975 5 1 FDBF COc1ccc2c(c1)CCN(S(N)(=O)=O)[C@H]2c1ccc([N+](=O)[O-])cc1 73166953 NYMFGLSRLFYOTE-INIZCTEOSA-N 363.395 1.754 5 1 FDBF COc1cncc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 587271278 DVJXMRYIJMRLFW-LBPRGKRZSA-N 370.369 1.773 5 1 FDBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)[C@H]1C[N+](=O)[O-] 587262181 FUCMXAUTXQYOAH-CSMHCCOUSA-N 357.292 1.984 5 1 FDBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cccc(S(N)(=O)=O)c2[nH]1 587267574 NQFKUURLGKFDMA-QMMMGPOBSA-N 350.360 1.233 5 1 FDBF O=C(NCCN1CCNCC1)c1cc(=O)c2ccc3ccccc3c2[nH]1 40430025 CQWWPWGNVSJGTH-UHFFFAOYSA-N 350.422 1.316 5 1 FDBF O=C(NC(=S)Nc1nc2cc([N+](=O)[O-])ccc2s1)N1CCOCC1 49070177 YNQZHWQWCURKPX-UHFFFAOYSA-N 367.412 1.943 5 1 FDBF Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](CC(=O)O)NC(=O)C(F)(F)F 29407830 NMXNBBSNDRDMLI-VIFPVBQESA-N 363.248 1.364 5 1 FDBF NC(=O)CC[C@H](C(=O)O)N1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O 49052894 WGDHFVRKINOMFE-GFCCVEGCSA-N 371.305 1.063 5 1 FDBF O=C1CCN(C(=O)CCSc2ccc([N+](=O)[O-])c3nonc23)CC1 299825207 XJYDVCAQRNULPM-UHFFFAOYSA-N 350.356 1.805 5 1 FDBF N[C@@H]1CCCN(c2cc(=O)n3nccc3n2Cc2ccc([N+](=O)[O-])cc2)C1 1857754016 ROJYVPUBSFDBFN-CQSZACIVSA-N 368.397 1.380 5 1 FDBF Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@@H](N)Cc1c[nH]c2ccccc12 1857774530 HCACGGJGUKHDSG-AWEZNQCLSA-N 357.370 1.694 5 1 FDBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(N)ncnc2[nH]1 587266830 PHUOZVWKFNCFLD-QUBYGPBYSA-N 374.317 1.286 5 1 FDBF O=C(NCCN1CCOCC1)c1ccc2c(c1)[nH]c(=O)c1ccccc12 29407810 SJGOAOFGNIBAOF-UHFFFAOYSA-N 351.406 1.743 5 1 FDBF COc1ccc(C=c2nc(O)c(=Cc3ccccc3[N+](=O)[O-])nc2O)cc1 253917748 LIJRDJWGCLOVLW-UHFFFAOYSA-N 365.345 1.462 5 1 FDBF CS(=O)(=O)c1cc(-c2nc3cnncc3[nH]2)cc([N+](=O)[O-])c1Cl 586924586 CJDJMBGZUWPZFK-UHFFFAOYSA-N 353.747 1.985 5 1 FDBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587266107 ZUIMIHXAGJRPPS-VIFPVBQESA-N 369.337 1.750 5 1 FDBF COC(=O)c1cc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2cn1 587268844 BOARCCBBXPIXOM-UHFFFAOYSA-N 365.309 1.900 5 1 FDBF Nc1ncnc2[nH]c(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nc12 587270529 LVPNWJYNCRIRHJ-UHFFFAOYSA-N 367.369 1.863 5 1 FDBF CCOC(=O)c1nn(CC)c(=O)c2nn(-c3cccc([N+](=O)[O-])c3)c(C)c12 49112744 SHZQSAWXMAJSSI-UHFFFAOYSA-N 371.353 1.995 5 1 FDBF C/C=C(/C)C(=O)O[C@@H]1CC[N+]2([O-])CC[C@H](COC(=O)/C(=C\C)CO)[C@H]12 238751475 MUIDVKVQYZTVRF-SSUMPPNJSA-N 353.415 1.453 5 1 FDBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cnncc2[nH]1 587264945 AWWYGGHDNNQBJD-FUXBKTLASA-N 359.302 1.703 5 1 FDBF CC=C(CO)C(=O)OCC1=CC[N@+]2([O-])CC[C@H](OC(=O)C=C(C)C)[C@@H]12 2356318236 AONSFLPGAVAKID-WDYCEAGBSA-N 351.399 1.373 5 1 FDBF CCc1cc(C(=O)NCCO)c(NC(=O)c2ccc([N+](=O)[O-])o2)s1 95596403 SEEWFOWLCBGREZ-UHFFFAOYSA-N 353.356 1.786 5 1 FDBF CN(C)CCNC(=O)c1cccc2c(=O)c3cccc([N+](=O)[O-])c3[nH]c12 27653732 GYIOFIWNVZHVBT-UHFFFAOYSA-N 354.366 1.881 5 1 FDBF N[N@@+]12CC[C@@]34c5ccccc5N5C(=O)C[C@@H]6OCC=C(C1)[C@H](C[C@@H]32)[C@@H]6[C@H]54 253647191 QRKXNMQJQQZNCY-UGPALIBZSA-N 350.442 1.481 5 1 FDBF CS(=O)(=O)c1cc(-c2nc3ncc[nH]c-3n2)cc([N+](=O)[O-])c1Cl 586924568 CBLJXEYUSSBQQW-UHFFFAOYSA-N 353.747 1.937 5 1 FDBF CC1(C)[C@@H](n2cnc3ccccc3c2=O)C(=O)C[C@@H]2[C@@H](O)CCC[N@@+]21[O-] 253868784 GLLVUDAEIXXQDP-AAFXUOQASA-N 357.410 1.527 5 1 FDBF O=c1c2cc(Cl)ccc2n2nnc3ccc(NCCNCCO)c1c32 5732901 YLYRJTVBWDALAV-UHFFFAOYSA-N 357.801 1.481 5 1 FDBF Cc1nc(N[C@H]2CCS(=O)(=O)[C@@H]2C)nc(-n2ccnc2C)c1[N+](=O)[O-] 28821496 XDNHDNLGEPPFAY-KOLCDFICSA-N 366.403 1.175 5 1 FDBF CO[C@]1(c2ccccc2)c2cc([N+](=O)[O-])ccc2NC(=O)CN1[N+](=O)[O-] 33829250 CVMINZNNCYAHTH-MRXNPFEDSA-N 358.310 1.888 5 1 FDBF CN1CCC=C([C@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CCO2)C1 40955721 JATAXFPDBIDRHF-MRXNPFEDSA-N 367.427 1.246 5 1 FDBF CC[N+]1(CC)CCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC 28005446 NGZPKDXNCYGGAC-CYBMUJFWSA-O 370.495 1.091 5 1 FDBF C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cccc([N+](=O)[O-])c2[nH]1 586940321 ZYYRVMIDZGRCDG-MRVPVSSYSA-N 350.360 1.244 5 1 FDBF O=C1Cc2nc3nc(O)nc(O)c3cc2[C@@H](c2ccc([N+](=O)[O-])cc2)C1 587555054 NGJBUJUPACMYQL-LLVKDONJSA-N 352.306 1.991 5 1 FDBF COc1cc2c(c3oc4c(O)cccc4c(=O)c13)C[C@H]([C@]1(CO)CO1)O2 5767588 IRUAVZYYGCAGAL-KUHUBIRLSA-N 356.330 1.725 5 1 FDBF biogenic C[C@H](NC(=O)CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C(=O)O 1857609116 LCQJCUMEONFETB-JTQLQIEISA-N 367.361 1.000 5 1 FDBF CCn1nc(C(=O)OC)c2c(C)n(-c3cccc([N+](=O)[O-])c3)nc2c1=O 49784569 PVJLIQXJOIAHCQ-UHFFFAOYSA-N 357.326 1.605 5 1 FDBF O=[N+]([O-])c1ccc2c(ccn2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c1 53683036 FQCJFJRLZCIFHB-YNEHKIRRSA-N 358.243 1.307 5 1 FDBF in-vivo COCCOC(=O)c1cc(=O)c(O)c2oc3cc(N(C)C)ccc3nc1-2 653795819 NWQSTCXOUUHHEL-UHFFFAOYSA-N 358.350 1.868 5 1 FDBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587261915 DYPMYWKURNNZLG-MIMYLULJSA-N 367.383 1.470 5 1 FDBF O=C1CC[C@H](N2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)C(=O)N1 49036740 HOOZLOYFWZBRPS-LBPRGKRZSA-N 353.290 1.149 5 1 FDBF COc1ccc(S(=O)(=O)N2CCSC(C)(C)[C@H]2C(=O)NO)cc1 196993233 ULILDPSFFUSXJH-GFCCVEGCSA-N 360.457 1.085 5 1 FDBF C[C@@]1(CN2CCN(c3ccc(F)cc3)CC2)Cn2cc([N+](=O)[O-])nc2O1 653725543 DUQMHNVDXUYYHM-QGZVFWFLSA-N 361.377 1.904 5 1 FDBF NS(=O)(=O)c1ccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2c1 587158494 FZSJZTLCBOOAOO-UHFFFAOYSA-N 366.330 1.837 5 1 FDBF CO[C@@H]1C=C[C@@]23c4cc5c(cc4C[N@+](C)(C[C@@H]2OC(C)=O)[C@H]3C1)OCO5 253668429 PAZUNHBDXHNMHY-ANXJSTTESA-N 358.414 1.902 5 1 FDBF C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586939743 SKSFCXJZVCVSOE-ZETCQYMHSA-N 368.350 1.383 5 1 FDBF CN(C)CCNC(=O)c1cccc2c(=O)c3cc([N+](=O)[O-])ccc3[nH]c12 27704861 AFNAEPOSQATWRT-UHFFFAOYSA-N 354.366 1.881 5 1 FDBF CC(=O)N1c2ccccc2[C@]23CC[N+]4([O-])CC5=CCO[C@H](O)[C@@H]([C@H]5C[C@@H]24)[C@@H]13 238742966 DWKDSPXGZLYOEM-LOYUKMTOSA-N 368.433 1.671 5 1 FDBF CN(C)S(=O)(=O)c1ccc2nc(-c3cc([N+](=O)[O-])nn3C)[nH]c2c1 587273536 DMTHNYIFOANWBO-UHFFFAOYSA-N 350.360 1.122 5 1 FDBF CN1CCC(N2C[C@H](O)C[C@H]2c2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 15674851 DSVFRFARPPIPJJ-CVEARBPZSA-N 373.413 1.847 5 1 FDBF biogenic O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cccc(F)c2[nH]1 587272091 JBDMHCOJQIVQFV-KBPBESRZSA-N 360.301 1.643 5 1 FDBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cnnc(O)c3[nH]2)CC1 587270926 ULGLCFZZHZMGIN-UHFFFAOYSA-N 368.353 1.987 5 1 FDBF O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 169355168 AGTXHHZRNMTLHL-VMCMIOBHSA-N 353.334 1.293 5 1 FDBF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)c1 586936687 TWGWXPXHFVAAHO-UHFFFAOYSA-N 350.360 1.548 5 1 FDBF O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@@H]43)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 101076538 AGTXHHZRNMTLHL-JRULLXGZSA-N 353.334 1.293 5 1 FDBF COc1cc2c(cc1OC)[C@@H]1[C@H](OC(C)=O)[C@@H](O)C[C@H]3CC[N@+]([O-])(C2)[C@@H]13 1857553108 YWRLQSMCNFENNG-WQQLZVLVSA-N 363.410 1.700 5 1 FDBF CC(C)(O)[C@@H]1Oc2c(O)cc3oc4cc(O)cc(O)c4c(=O)c3c2[C@@H]1O 14514249 QJHHEMWYGFIDMW-DOTOQJQBSA-N 360.318 1.628 5 1 FDBF biogenic O=C(O)c1cccc2c1CCN[C@@]2(Cc1ccccc1[N+](=O)[O-])C(=O)O 963121033 IORWHHMAMGIWNO-GOSISDBHSA-N 356.334 1.961 5 1 FDBF CN(C)CCNC(=O)c1cc([N+](=O)[O-])cc2c(=O)c3ccccc3[nH]c12 27707058 UYZOPKXIZFENPJ-UHFFFAOYSA-N 354.366 1.881 5 1 FDBF CS(=O)(=O)C[C@]1(c2ccc([N+](=O)[O-])cc2)NCCc2ccc(O)cc21 963343850 XLSNJFNNFXBKQV-QGZVFWFLSA-N 362.407 1.734 5 1 FDBF NC(=O)CC[C@@H](NC(=O)c1c2ccccc2nc2ccccc12)C(=O)O 6583647 YBIXIQIOUALMCG-OAHLLOKOSA-N 351.362 1.837 5 1 FDBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ccc(O)cc2[nH]1 587272512 NKCXQLUPBNMCMB-KBPBESRZSA-N 358.310 1.210 5 1 FDBF O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587970342 FWTDMEVFMUCZOW-KVSKUHBBSA-N 370.115 1.732 5 1 FDBF CN1CCN(c2ccc3nc(-c4cnc(N)c([N+](=O)[O-])c4)[nH]c3c2)CC1 587268075 LBINFCFYSOFORN-UHFFFAOYSA-N 353.386 1.867 5 1 FDBF CCOC(=O)[C@@H]1C(COC(=O)c2ccc([N+](=O)[O-])s2)=NC(=O)N[C@@H]1C 169691682 YETNNLDJAUASNB-HQJQHLMTSA-N 369.355 1.545 5 1 FDBF CCS(=O)(=O)CCNc1nc(C)c([N+](=O)[O-])c(-n2ccnc2C)n1 28821439 AJLXPBNXQDGDLS-UHFFFAOYSA-N 354.392 1.034 5 1 FDBF Cc1cccc2c(=O)c3c(NN)ccc(C(=O)NCCN(C)C)c3[nH]c12 1772632281 ZHHBQEGRYBQAQW-UHFFFAOYSA-N 353.426 1.567 5 1 FDBF C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CC[N+]3([O-])CC[C@@H](OC1=O)[C@@H]23 238769824 IZXSCPRWPYQTJH-QEAXFNSKSA-N 353.415 1.285 5 1 FDBF N[C@H](Cc1nc2cc3ccccc3cc2nc1CP(=O)(O)O)C(=O)O 13861302 CAKPNNQRUWQOND-LLVKDONJSA-N 361.294 1.415 5 1 FDBF CCCN[C@H](c1cc([N+](=O)[O-])cc2nc(O)c(O)nc12)P(=O)(O)O 13440477 NEXBAIGDQQSPJV-LBPRGKRZSA-N 358.247 1.125 5 1 FDBF O=C1C[C@@H]2OCC=C3C[N+]4([O-])CC[C@]56c7cccc(O)c7N1[C@H]5[C@H]2[C@H]3C[C@@H]64 238741765 NKDBPZBWRSEEGU-FRSBINQASA-N 366.417 1.811 5 1 FDBF CCOC(=O)c1nc2c(O)nc3cc([N+](=O)[O-])c(NC(C)=O)cc3n2c1C 63539697 WUTNLCUQZGDRGX-UHFFFAOYSA-N 373.325 1.940 5 1 FDBF N[N@+]12CC[C@@]34c5ccccc5N5C(=O)C[C@@H]6OCC=C(C1)[C@H](C[C@@H]32)[C@@H]6[C@H]54 253647193 QRKXNMQJQQZNCY-ZFGPQYDPSA-N 350.442 1.481 5 1 FDBF Cc1ncc([N+](=O)[O-])n1Cc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587274022 MFRRWHAYHRXXCT-UHFFFAOYSA-N 364.387 1.275 5 1 FDBF N[C@@H](C(=O)NCCc1ccc2c(c1)OCO2)[C@@H](O)c1ccc([N+](=O)[O-])cc1 40973968 YMWVNAPQVVGUDD-SJORKVTESA-N 373.365 1.043 5 1 FDBF Cc1ccc2c(c1)c(=O)c(C(=O)O)cn2C[C@@H](O)Cn1cnc([N+](=O)[O-])c1 299819089 CNKIFQKRCHLUHE-NSHDSACASA-N 372.337 1.174 5 1 FDBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4c(O)nc(S)nc4[nH]3)nn2)c1 587268956 FLSYQFGWNQDURI-UHFFFAOYSA-N 356.327 1.503 5 1 FDBF NC(=O)NCCC[C@H](N)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587259851 NMMHQMSHNDIMHI-ZETCQYMHSA-N 371.195 1.682 5 1 FDBF NC(=O)c1cc(N2CCC(c3nc4ncc[nH]c-4n3)CC2)ccc1[N+](=O)[O-] 587263608 WPMRMLOJFGGULK-UHFFFAOYSA-N 367.369 1.696 5 1 FDBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(N)ncc2[nH]1 587265449 FEMZUYLTGNWVNO-NXSYQRQQSA-N 373.329 1.891 5 1 FDBF NC(=O)c1cccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c12 587091082 AHEAVQRGMFWSQK-UHFFFAOYSA-N 354.248 1.996 5 1 FDBF COc1cc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c(OC)c([N+](=O)[O-])c1 587261034 QGLAYHACCRCLEE-UHFFFAOYSA-N 350.722 1.963 5 1 FDBF CC1=C(c2ccc3nc(-c4cnc(N)c([N+](=O)[O-])c4)[nH]c3c2)NNC(=O)C1 587267693 DDJNUZOOYXYCQX-UHFFFAOYSA-N 365.353 1.871 5 1 FDBF O=C(Cc1ccccc1[N+](=O)[O-])NCCNC[C@@H](O)COc1ccccc1 28754711 VJTMLAIZVUQTRN-MRXNPFEDSA-N 373.409 1.283 5 1 FDBF COc1nn(CC(=O)n2ncc3ccc(Cl)cc3c2=O)cc1[N+](=O)[O-] 587652312 BUTWUUYIYJESCI-UHFFFAOYSA-N 363.717 1.504 5 1 FDBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccnc(N)c2[nH]1 587267106 UAZAFSMSFCWQJR-MADCSZMMSA-N 373.329 1.891 5 1 FDBF O=c1n(CCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(O)c2n1CCC2 169714889 JYDJLEOOLSEWIB-UHFFFAOYSA-N 373.413 1.032 5 1 FDBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587274607 QRFTYEYHLINUGQ-MRVPVSSYSA-N 350.360 1.119 5 1 FDBF COc1cc[nH]c1/C=C1\C(=O)Nc2ccc([N+](=O)[O-])c(N3CC[C@@H](N)C3)c21 13478417 UVTOVXHMQMTPSH-UBYNWHESSA-N 369.381 1.962 5 1 FDBF CCN(CC)C(=S)SCc1cc(O)n2nc(N)c([N+](=O)[O-])c2n1 28352492 GITPWCCPTGAUPM-UHFFFAOYSA-N 356.433 1.785 5 1 FDBF COc1ccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1 587271856 IOEOIIFLHNWLLT-GJZGRUSLSA-N 372.337 1.513 5 1 FDBF Cn1cc(-c2cnc3ccc4ccc([C@H](O)C(N)=O)cc4c(=O)c3c2)cn1 95581455 NPKHYQHLPSZNHP-SFHVURJKSA-N 360.373 1.667 5 1 FDBF N=C(N)c1ccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 586919771 GZFKQAHCOORBJJ-UHFFFAOYSA-N 359.367 1.729 5 1 FDBF O=[N+]([O-])c1ccc([C@@H]2OC[C@H]3O[C@@H](c4ccccc4)[C@H](O)[C@@H](O)[C@@H]3O2)cc1 28571470 IJIJAJSWLPBRHR-WVXCVLBUSA-N 373.361 1.871 5 1 FDBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587261912 DYPMYWKURNNZLG-FBIMIBRVSA-N 367.383 1.470 5 1 FDBF 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CNC(=O)C[C@@H]1CCOC2(CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)C1 1857561584 IANWFWQKQKIHDO-LBPRGKRZSA-N 365.386 1.725 5 1 FDBF O=C1NCCN1c1ccc(S(=O)(=O)Oc2ccccc2[N+](=O)[O-])cc1 72110329 VCLYHHUHKACSHG-UHFFFAOYSA-N 363.351 1.892 5 1 FDBF O=C(NN1C(=O)CCS[C@H]1Cc1ccc([N+](=O)[O-])o1)c1ccncc1 84632092 XBZJVBHJTGHQCT-AWEZNQCLSA-N 362.367 1.762 5 1 FDBF C[n+]1c2ccccc2c(CN[C@@H](CCC(N)=O)C(=O)O)c2ccccc21 17193386 LEMRSHXBHNWTCF-INIZCTEOSA-O 352.414 1.626 5 1 FDBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3nc(Cl)c[nH]c-3n2)cc1 586920052 KCGDHCTZSKZRPZ-UHFFFAOYSA-N 353.747 1.840 5 1 FDBF N=c1[nH]c2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc-2c(Cl)[nH]1 586919873 IRSDYBVYUQOYLV-UHFFFAOYSA-N 368.762 1.253 5 1 FDBF Cc1ccc(S(=O)(=O)Cc2nc(C)n(C[C@@H](C)O)c2[N+](=O)[O-])cc1 35075785 ITNHMPSDBJWOHG-LLVKDONJSA-N 353.400 1.763 5 1 FDBF CCCCCCC(=O)O[C@H](CO)CO[P@@](=O)(O)OCC[N+](C)(C)C 38791443 XHIJUZNRGPLVKF-CQSZACIVSA-O 370.403 1.701 5 1 FDBF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cncc([N+](=O)[O-])c2[nH]1 586930285 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ALOIKQQTQDQAGG-HNNXBMFYSA-N 362.367 1.940 5 1 FDBF C[C@@H]1CC(=O)[C@H](Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)[C@@H]1C[N+](=O)[O-] 587262180 FUCMXAUTXQYOAH-BWZBUEFSSA-N 357.292 1.984 5 1 FDBF CC1=C(Sc2cccc([N+](=O)[O-])c2)[C@H](COCCO)C(=O)NC1=O 102816278 YMZRHLSISUIVFY-LBPRGKRZSA-N 352.368 1.242 5 1 FDBF CC1=CC(=O)O[C@@H]2CC[N@+]3([O-])CC=C(COC(=O)[C@](C)(O)[C@H](C)C1)[C@@H]23 2356305096 NBOUCSAONIKVHC-NYQXYVKASA-N 351.399 1.205 5 1 FDBF Cn1nccc1CS(=O)(=O)Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586923825 XBQJSUUKXCSMRP-UHFFFAOYSA-N 353.335 1.459 5 1 FDBF COC(=O)CN1C(=O)CN=C(c2ccccc2)c2cc([N+](=O)[O-])ccc21 82157966 IYEFRIRZFWBPPB-UHFFFAOYSA-N 353.334 1.952 5 1 FDBF C/C=C1/[C@H]2[C@]34CC[N+]2(C)C[C@H](O)[C@H]1C(C(=O)OC)=C3Nc1ccccc14 238784013 BFADNSHROZHEAO-WQUNDBCPSA-O 353.442 1.947 5 1 FDBF CN(C)CCCN1CC(=O)n2c(c3cccn3n(C)c3ccccc32)=C1O 169684865 AJZUJFLCHNXZSN-UHFFFAOYSA-N 367.453 1.607 5 1 FDBF CS(=O)(=O)c1cc(-c2nc3c(N)ncnc3[nH]2)cc([N+](=O)[O-])c1Cl 586926870 QBRZIGPKNQVSGM-UHFFFAOYSA-N 368.762 1.567 5 1 FDBF COCCOc1ccc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1[N+](=O)[O-] 587265778 QZPFMYGCFPIMDH-UHFFFAOYSA-N 364.749 1.971 5 1 FDBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(N)ncc2[nH]1 587265452 FEMZUYLTGNWVNO-WJWGPLDTSA-N 373.329 1.891 5 1 FDBF C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3([O-])CC[C@H](OC1=O)[C@H]23 105159115 PLGBHVNNYDZWGZ-SIHRSNHTSA-N 351.399 1.205 5 1 FDBF CC(=O)[C@H]1C(=O)c2cccc([N+](=O)[O-])c2[C@]12c1nn(C)cc1CCN2C 963955948 TZDHFWNIFRVBSX-KSSFIOAISA-N 354.366 1.461 5 1 FDBF CSCC[C@H](N)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 14965649 HQRJJHXKCFABSI-UONOGXRCSA-N 366.443 1.605 5 1 FDBF COc1cc(=O)cc2c([C@H]3CC(=O)NC3=O)c3oc(C)cc(O)c3c(O)c12 2356344116 ZVZWZNGQYMVVRW-SNVBAGLBSA-N 369.329 1.805 5 1 FDBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 587274862 UXLKJUTYWWHEPB-MRVPVSSYSA-N 350.360 1.119 5 1 FDBF CNS(=O)(=O)N1CCC(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)CC1 586954442 IGMSIUCBBSDPNQ-UHFFFAOYSA-N 373.822 1.768 5 1 FDBF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587203546 KYBCNLMOMMQJQU-NSHDSACASA-N 351.338 1.689 5 1 FDBF CC=C1C[C@H](C)[C@](C)(O)C(=O)OC[C@@H]2CC[N@+]3([O-])CC[C@@H](OC1=O)[C@H]23 2356726243 IZXSCPRWPYQTJH-FEOCPIEYSA-N 353.415 1.285 5 1 FDBF NS(=O)(=O)c1cc(NC(=O)Nc2ccc(F)cc2)c(O)c([N+](=O)[O-])c1 1857764134 JYHLTIJXWVWYDU-UHFFFAOYSA-N 370.318 1.731 5 1 FDBF Cc1cc(O)c2c(=O)c3c(O)cc(OCC=C(CO)CO)cc3oc2c1 14815327 DKSIXSIYOLEDDG-UHFFFAOYSA-N 358.346 1.956 5 1 FDBF biogenic C[C@H](c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587275215 AEYXFRDXWQABNN-SECBINFHSA-N 364.387 1.527 5 1 FDBF CC=C1C[C@H](C)[C@](C)(O)C(=O)OC[C@@H]2CC[N@+]3([O-])CC[C@@H](OC1=O)[C@@H]23 2356726247 IZXSCPRWPYQTJH-UFPSZFQPSA-N 353.415 1.285 5 1 FDBF Cc1cnc(C(=O)NN2C(=O)CS[C@@H]2c2cccc([N+](=O)[O-])c2)cn1 653918492 VKYJDNOZSHCKJM-OAHLLOKOSA-N 359.367 1.612 5 1 FDBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(O)nc(O)nc2[nH]1 587266282 YBDBZUWVWMPPIS-YFKPBYRVSA-N 361.274 1.754 5 1 FDBF C/C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC1=O)[C@@H]23 5132685 PLGBHVNNYDZWGZ-NRTYDQPPSA-N 351.399 1.205 5 1 FDBF COC(=O)C1=C2Nc3ccccc3[C@@]23CC[N+]2([O-])C[C@@H]([C@H](C)O)[C@@H]1C[C@@H]32 85663233 WSBPZWLQDOELJZ-AMLRROLDSA-N 356.422 1.894 5 1 FDBF Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccc(CN2CCOCC2)cc1 26569295 QFLZEYUXHIFILY-UHFFFAOYSA-N 374.397 1.789 5 1 FDBF Cc1cccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 587271349 CBFNVJPELXTZQM-GJZGRUSLSA-N 356.338 1.813 5 1 FDBF O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)n(O)/c1=N\c1ccccc1 15974136 GCOAGOGHZSWKLF-ICFOKQHNSA-N 355.310 1.823 5 1 FDBF O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCN1CCNCC1 6094445 SZQZTOAVOAEJBX-UHFFFAOYSA-N 354.366 1.249 5 1 FDBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cncnc2[nH]1 587267455 ZEONULSSDNKKAC-JVXZTZIISA-N 359.302 1.703 5 1 FDBF COc1ccc2[nH]c(C3=c4cc([N+](=O)[O-])ccc4=NC3=O)c(NO)c2c1 140158623 USCHFDDAJZJKJX-UHFFFAOYSA-N 352.306 1.245 5 1 FDBF in-vivo C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ncc[nH]c-2n1 587267140 UTJBELPYSMHWGG-CPCISQLKSA-N 359.302 1.655 5 1 FDBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccc(-n3cnnn3)cc2[nH]1 587269083 KILNNHBTXWWKFX-UHFFFAOYSA-N 365.309 1.838 5 1 FDBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc(-n3cnnn3)cc2[nH]1 587263964 IORPEVDYQKBOAG-NSHDSACASA-N 366.341 1.395 5 1 FDBF Cn1cc(-c2cnc3ccc4ccc([C@@H](O)C(N)=O)cc4c(=O)c3c2)cn1 95581456 NPKHYQHLPSZNHP-GOSISDBHSA-N 360.373 1.667 5 1 FDBF CN(C)CCn1[nH]c2c3ccccc3nc3c(C(=O)NCCN)ccc1c32 26995938 WUJREZZAPYQSHZ-UHFFFAOYSA-N 364.453 1.921 5 1 FDBF Nc1ccccc1NC(=O)CCNC(=O)COc1ccccc1[N+](=O)[O-] 75830265 AYXBMAYMXJAMEJ-UHFFFAOYSA-N 358.354 1.701 5 1 FDBF CNS(=O)(=O)c1ccc(CCc2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 586945979 FDKRWDIFVKHEAG-UHFFFAOYSA-N 361.383 1.559 5 1 FDBF O=C(C[C@H]1SC(=O)NC1=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 96916380 MNMITHSSVTZWCX-MRVPVSSYSA-N 352.353 1.885 5 1 FDBF NS(=O)(=O)Oc1ccc2cc(-c3ccc([N+](=O)[O-])cc3)c(=O)oc2c1 1772648305 FJJLWSKBRILGPQ-UHFFFAOYSA-N 362.319 1.951 5 1 FDBF Cc1ncc([N+](=O)[O-])n1CCn1cc(COc2ccc(C=O)cc2)nn1 40917929 SYUYQSGRFCAVHJ-UHFFFAOYSA-N 356.342 1.783 5 1 FDBF O=[N+]([O-])c1ccn(CCCc2nc3nc(Br)c[nH]c-3n2)n1 587273881 PQTIOBUSOLVKPG-UHFFFAOYSA-N 352.152 1.805 5 1 FDBF CN(C)CCNC(=O)c1ccc([N+](=O)[O-])c2c(O)c3cccnc3nc12 27710100 UKAHQTWMVYSRMU-UHFFFAOYSA-N 355.354 1.688 5 1 FDBF COCCOc1ccc(-c2nc3c(O)nc(S)nc3[nH]2)cc1[N+](=O)[O-] 587264232 DYDNTFVVFVJBET-UHFFFAOYSA-N 363.355 1.948 5 1 FDBF C[C@@H]1CC(=O)[C@H](Cc2nc3c(S)nc(S)nc3[nH]2)[C@H]1C[N+](=O)[O-] 587261931 FDAZRLONBNBWCE-QYNIQEEDSA-N 353.429 1.591 5 1 FDBF CO[C@H]1C=C[C@@]23c4cc5c(cc4C[N+](C)(C[C@@H]2OC(C)=O)[C@H]3C1)OCO5 13604094 PAZUNHBDXHNMHY-ISTLVISJSA-N 358.414 1.902 5 1 FDBF COC(=O)c1ccc(O)c2oc3c(O)c(CCO)cc(OC)c3c(=O)c12 2356720598 DIGADBAFPUMHOY-UHFFFAOYSA-N 360.318 1.687 5 1 FDBF Cc1cnc(C(=O)NN2C(=O)CS[C@@H]2c2ccc([N+](=O)[O-])cc2)cn1 653918545 TTWWTEHVWDUQSV-OAHLLOKOSA-N 359.367 1.612 5 1 FDBF O=C1[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1cc(OCC(F)F)cc([N+](=O)[O-])c1 13960353 WUVVJOJHDPVBOU-VWUVDNNOSA-N 368.292 1.906 5 1 FDBF CN1N=C(O[C@@H]2c3cc([N+](=O)[O-])ccc3OC(C)(C)[C@@H]2O)[C@@H]2C[C@@H]2C1=O 27437980 PYPSJNAGDYFJCQ-RDBQEKCUSA-N 361.354 1.606 5 1 FDBF CN(C)CCNC(=O)c1cc([N+](=O)[O-])cc2c(O)c3cccnc3nc12 27647410 MSICLENJXMQUDI-UHFFFAOYSA-N 355.354 1.688 5 1 FDBF CC(CO)(CO)NC[C@H](O)COc1cccc2c(=O)c3ccccc3oc12 40411789 TZEMJQAAXQUFLH-ZDUSSCGKSA-N 373.405 1.019 5 1 FDBF COc1cc(N2C(=O)[C@@H](O)[C@@H]2c2ccc([N+](=O)[O-])o2)cc(OC)c1OC 26163995 JBOKIFBCJUXOEW-KBPBESRZSA-N 364.310 1.662 5 1 FDBF CCN1CCN(C(=S)SC[C@H](O)Cn2cc([N+](=O)[O-])nc2C)CC1 1772598406 YILRORDEFRXGLI-GFCCVEGCSA-N 373.504 1.116 5 1 FDBF CN(C)CCn1c(=O)c2ccc(Cl)c3c(=O)c4ccccc4n(c1=O)c23 13652436 YEVMBRBTFGQAMM-UHFFFAOYSA-N 369.808 1.781 5 1 FDBF O=C1NC(=O)C(c2cccc([N+](=O)[O-])c2)=C1Nc1cccc(C(=O)O)c1 14946019 JJUNZYVUGWVURX-UHFFFAOYSA-N 353.290 1.773 5 1 FDBF O=C(NCc1ccc(F)cc1)c1c(O)n(O)c(=O)c2ccc([N+](=O)[O-])cc12 169349219 DIWJTYNCAQGKHZ-UHFFFAOYSA-N 373.296 1.922 5 1 FDBF CSCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 103257225 OLYBOHOAVAYEMD-KBPBESRZSA-N 366.443 1.605 5 1 FDBF CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)[n+]([O-])c2ccccc2[n+]1[O-] 150549194 PSPFLRBRFKLHEW-UHFFFAOYSA-N 355.306 1.859 5 1 FDBF O=[N+]([O-])c1ccc(Oc2ccc(-n3cc(CO)nn3)cc2)c2nonc12 211215137 MZRVABRRZTUJCN-UHFFFAOYSA-N 354.282 1.996 5 1 FDBF CN1CCC=C([C@@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CCO2)C1 40957531 JUDDHCNYOPHHSM-HNNXBMFYSA-N 367.427 1.246 5 1 FDBF C/C1=C\C(=O)O[C@@H]2CC[N+]3([O-])CC[C@H](COC(=O)[C@](C)(O)[C@H](C)C1)[C@H]23 238746616 PFFVEHWOTBKSGU-FBHIRLSHSA-N 353.415 1.285 5 1 FDBF Cc1ccc(S(=O)(=O)Cc2nc(C)n(C[C@H](C)O)c2[N+](=O)[O-])cc1 35075786 ITNHMPSDBJWOHG-NSHDSACASA-N 353.400 1.763 5 1 FDBF Cc1ccc2c(c1)c(=O)c(C(=O)O)cn2C[C@H](O)Cn1cnc([N+](=O)[O-])c1 299819085 CNKIFQKRCHLUHE-LLVKDONJSA-N 372.337 1.174 5 1 FDBF CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1coc2ccc([N+](=O)[O-])cc2c1=O 71341834 QBNRMRNNYYUTJE-CQSZACIVSA-N 373.321 1.892 5 1 FDBF Cc1nc(CS(=O)(=O)c2ccc(F)cc2)c([N+](=O)[O-])n1C[C@@H](C)O 40918151 BEYNALZRYUPPCR-SECBINFHSA-N 357.363 1.594 5 1 FDBF O=[N+]([O-])c1cc(C[S@](=O)c2nnnn2-c2ccccc2)cc([N+](=O)[O-])c1 169331776 VYAAFEXAVJHMEK-SANMLTNESA-N 374.338 1.787 5 1 FDBF O=C(Oc1ccc(C[C@@H]2NC(=S)NC2=O)cc1)c1ccccc1[N+](=O)[O-] 103199632 ROIRHTXJFQJGFZ-ZDUSSCGKSA-N 371.374 1.729 5 1 FDBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(C(=O)N(C)C)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587263656 NFINMFHUDBCYCK-RAIGVLPGSA-N 358.398 1.925 5 1 FDBF O=C(C[C@@H]1SC(=O)NC1=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 96916382 MNMITHSSVTZWCX-QMMMGPOBSA-N 352.353 1.885 5 1 FDBF N=c1[nH]c2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)nc-2c(Cl)[nH]1 587093189 YFOJYQGJXRJSNU-UHFFFAOYSA-N 362.659 1.704 5 1 FDBF COC(=O)c1c([S@](C)=O)ccc2oc3cc(CO)cc(O)c3c(=O)c12 2356716898 AYCYZLASDOHFHP-VWLOTQADSA-N 362.359 1.668 5 1 FDBF Cc1ccc(C(=O)c2c3ccc([N+](=O)[O-])cc3[n+]([O-])n2CCC(N)=O)cc1 15924842 QOOJLBNZVLYNST-UHFFFAOYSA-N 368.349 1.598 5 3 FDBF O=C(O)c1nn2c(O)nc3cc(Cl)c([N+](=O)[O-])cc3c2c1C(=O)O 29060436 QCYWDNNPABQJBD-UHFFFAOYSA-N 352.646 1.546 5 1 FDBF CC1(C)[C@@H](n2cnc3ccccc3c2=O)C(=O)C[C@@H]2[C@@H](O)CCC[N@+]21[O-] 253868786 GLLVUDAEIXXQDP-XCLVFQIOSA-N 357.410 1.527 5 1 FDBF C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC1=O)[C@@H]23 4963259 PLGBHVNNYDZWGZ-GPUZEBNTSA-N 351.399 1.205 5 1 FDBF in-vitro COc1cc2c(c3oc4c(O)cccc4c(=O)c13)C[C@H]([C@](C)(O)CO)O2 5758953 OKYQPZWHWUYPGE-AUUYWEPGSA-N 358.346 1.707 5 1 FDBF biogenic C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(S(C)(=O)=O)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587263392 MICGCSJIOQFTRM-YUSALJHKSA-N 365.411 1.627 5 1 FDBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587261910 DYPMYWKURNNZLG-DVVUODLYSA-N 367.383 1.470 5 1 FDBF O=C(Nc1ncc([N+](=O)[O-])s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 95562975 YZQFROKGFSLMPU-UHFFFAOYSA-N 355.244 1.826 5 1 FDBF Cc1ncc([N+](=O)[O-])n1CC(=O)NS(=O)(=O)c1ccc(Cl)cc1 72116811 RKEVYIWMMZTIEB-UHFFFAOYSA-N 358.763 1.258 5 1 FDBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(N)ncnc2[nH]1 587266828 PHUOZVWKFNCFLD-LHLIQPBNSA-N 374.317 1.286 5 1 FDBF CN(C)CCNC(=O)c1ccc2c(CCCN)cc3cc[nH]c(=O)c3c2c1 28955884 MLSPRXGISWZOPT-UHFFFAOYSA-N 366.465 1.864 5 1 FDBF COc1cc2c(c3c1c(=O)c1ccccc1n3C)C[C@H]([C@@](C)(O)CO)O2 42878018 BSRYGFPKRGXLTO-UZLBHIALSA-N 355.390 1.747 5 1 FDBF CN(C)CCN1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C1=O 28226702 BCBJMWZHCLVRCS-UHFFFAOYSA-N 358.310 1.814 5 1 FDBF CCOC(=O)C1=C(N)OC(C)=C(C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1 96272045 YLGPYAGLYBTIEU-ZDUSSCGKSA-N 362.338 1.889 5 1 FDBF CCOC(=O)Cn1c(C)cc(=O)n2cc(-c3cccc([N+](=O)[O-])c3)nc12 1857563458 RBJSNZPUOFDSFG-UHFFFAOYSA-N 356.338 1.943 5 1 FDBF CC(=O)[C@@H]1C(=O)c2cccc([N+](=O)[O-])c2[C@@]12c1nn(C)cc1CCN2C 963955951 TZDHFWNIFRVBSX-RDTXWAMCSA-N 354.366 1.461 5 1 FDBF NC(=O)C1CCN(C(=O)c2cccn3c(=O)c4ccccc4nc23)CC1 2957232 WBVYMVJBCFMSGA-UHFFFAOYSA-N 350.378 1.185 5 1 FDBF O=C(c1cc([N+](=O)[O-])n[nH]1)c1c(CO)oc2cc(Br)cnc12 587275431 AQVUUBAAQOJPLT-UHFFFAOYSA-N 367.115 1.945 5 1 FDBF Cc1cncc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 587272497 MOHFHIVNJXYZMA-KBPBESRZSA-N 357.326 1.208 5 1 FDBF Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](CC(=O)O)NC(=O)C(F)(F)F 29407827 NMXNBBSNDRDMLI-SECBINFHSA-N 363.248 1.364 5 1 FDBF NCCC[C@](NC(=O)OCc1ccc([N+](=O)[O-])cc1)(C(=O)O)C(F)F 95552203 COQIKROFTRQKPD-CQSZACIVSA-N 361.301 1.648 5 1 FDBF CCCN[C@@H](c1cc([N+](=O)[O-])cc2nc(O)c(O)nc12)P(=O)(O)O 13440475 NEXBAIGDQQSPJV-GFCCVEGCSA-N 358.247 1.125 5 1 FDBF CO[C@@H]1C=C[C@@]23c4cc5c(cc4C[N@+](C)(C[C@@H]2OC(C)=O)[C@@H]3C1)OCO5 253668447 PAZUNHBDXHNMHY-WLVWHVFCSA-N 358.414 1.902 5 1 FDBF CNS(=O)(=O)c1cc(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)n(C)c1 586947004 HZEOQDOHKMLPOU-UHFFFAOYSA-N 353.335 1.524 5 1 FDBF CN1CCC=C([C@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CCO2)C1 40957534 JUDDHCNYOPHHSM-OAHLLOKOSA-N 367.427 1.246 5 1 FDBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccc(CCO)cc3[nH]2)cc1 586920470 RQLINVABGAEOOL-UHFFFAOYSA-N 361.379 1.980 5 1 FDBF CCOC(=O)Cn1nc(C)c2c(C)n(-c3cccc([N+](=O)[O-])c3)nc2c1=O 49113202 MQUWMESQKONLKN-UHFFFAOYSA-N 371.353 1.670 5 1 FDBF COc1cc(COC(=O)N2CC=C[C@H]2C(=O)O)c([N+](=O)[O-])cc1OC 5848205 YWAOMLOXXUULMD-JTQLQIEISA-N 352.299 1.574 5 1 FDBF CS(=O)(=O)C[C@@]1(c2ccc([N+](=O)[O-])cc2)NCCc2ccc(O)cc21 963343849 XLSNJFNNFXBKQV-KRWDZBQOSA-N 362.407 1.734 5 1 FDBF C[C@H](c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1)n1cc([N+](=O)[O-])cn1 587276124 JKEQKCMCDFWRCR-SECBINFHSA-N 364.387 1.527 5 1 FDBF Nc1ncc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c(O)n1 587253190 CYZPNLGEKARQSD-UHFFFAOYSA-N 351.120 1.978 5 1 FDBF Cc1ncc([N+](=O)[O-])n1CCn1cc(COc2ccccc2C=O)nn1 40402857 LJUWDMROBYYYNX-UHFFFAOYSA-N 356.342 1.783 5 1 FDBF CC(=O)c1s/c(=N\S(=O)(=O)c2cccc([N+](=O)[O-])c2)n(C)c1C 14944852 ZVTXDIONNNQVKP-YPKPFQOOSA-N 355.397 1.795 5 1 FDBF Cc1cc(NC(=O)[C@@H](CC(=O)O)NC(=O)C(F)(F)F)ccc1[N+](=O)[O-] 29405443 VUZZYYPBKAJMHB-MRVPVSSYSA-N 363.248 1.364 5 1 FDBF COc1ccc2c(c1)CCN(S(N)(=O)=O)[C@@H]2c1cccc([N+](=O)[O-])c1 73168838 IJYWXUCFDSNFDS-MRXNPFEDSA-N 363.395 1.754 5 1 FDBF O=[N+]([O-])c1cc(-c2nc3c(O)nc(S)nc3[nH]2)nn1CC(F)(F)F 587091812 PDKMEWJQRURRCO-UHFFFAOYSA-N 361.265 1.681 5 1 FDBF C[N+]12CC[C@]34c5ccccc5N5C(=O)C[C@@H]6OCC=C(C1)[C@@H](C[C@]32O)[C@@H]6[C@@H]54 238756430 GKYGVZJKGMXQJI-LDQKFRDHSA-N 365.453 1.557 5 1 FDBF O=c1n([C@@H]2CS[C@@H](CO)O2)ccc2nc(-c3ccc([N+](=O)[O-])cc3)cn12 26834274 PMFFMBDECZRFEU-GJZGRUSLSA-N 374.378 1.652 5 1 FDBF Nc1ncc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1[N+](=O)[O-] 587267618 BWRYKEFIPDUKTL-UHFFFAOYSA-N 354.370 1.948 5 1 FDBF CC(=O)[C@@H]1C(=O)c2cccc([N+](=O)[O-])c2[C@]12c1nn(C)cc1CCN2C 963955945 TZDHFWNIFRVBSX-KDOFPFPSSA-N 354.366 1.461 5 1 FDBF CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2[N+](=O)[O-])N(C(N)=O)C(=O)N1 13820425 FCVDBJYRGKUHBC-CYBMUJFWSA-N 362.342 1.965 5 1 FDBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2c(S)nc(S)nc2[nH]1 587266104 ZPNQISXMOXWDTR-LURJTMIESA-N 364.412 1.787 5 1 FDBF O=C(Sc1nnc(O)[nH]c1=O)c1cccc2nc3ccccc3nc12 5801231 HHTILRLLLMYAML-UHFFFAOYSA-N 351.347 1.899 5 1 FDBF CCCCOC[C@@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(C)=O 27891278 LUDAPTTVRAPYHF-AWEZNQCLSA-O 356.376 1.575 5 1 FDBF O=C(O)c1ccc2oc3ccc(OC[C@H](O)COCCO)cc3c(=O)c2c1 169321982 MJDSXBCJBIRTOY-GFCCVEGCSA-N 374.345 1.393 5 1 FDBF CCOC(=O)c1nc2c(O)nc3cc([N+](=O)[O-])c(-n4cccc4)cc3n2n1 13532618 VKAWBBLOQAGPSK-UHFFFAOYSA-N 368.309 1.859 5 1 FDBF CCOC(=O)c1c(N2CC[N+](C)(C)CC2)c2ccc(C)nc2n(CC)c1=O 26385290 OFYBGNSXOYCKMB-UHFFFAOYSA-N 373.477 1.798 5 1 FDBF CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1coc2c([N+](=O)[O-])cccc2c1=O 71341541 LGJWMOKLTZJWBF-CYBMUJFWSA-N 373.321 1.892 5 1 FDBF CCn1cc(C(=O)O)c(=O)c2cc(F)c(NCCC(=O)O)c([N+](=O)[O-])c21 1772601174 LEVUIZNTXSOGNJ-UHFFFAOYSA-N 367.289 1.654 5 1 FDBF Nc1ncc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(O)n1 587253363 JKVHDJLDERVIIN-UHFFFAOYSA-N 351.120 1.978 5 1 FDBF CN1CCN(C2=C(Cl)C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 64526945 JMAKPLURQLXSHD-UHFFFAOYSA-N 350.762 1.166 5 1 FDBF Cc1nccc2[nH]c([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc12 587271656 DYUVHQBSKFXDHA-KBPBESRZSA-N 357.326 1.208 5 1 FDBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587267571 NPQUNLGLVFIEEE-MRVPVSSYSA-N 351.344 1.832 5 1 FDBF Cc1ncc([N+](=O)[O-])n1CCON(C)CCCCn1ccnc1[N+](=O)[O-] 29565809 OHWQHBUPTUIYDU-UHFFFAOYSA-N 367.366 1.548 5 1 FDBF CN1N=C(O[C@@H]2c3cc([N+](=O)[O-])ccc3OC(C)(C)[C@H]2O)[C@@H]2C[C@@H]2C1=O 27437991 PYPSJNAGDYFJCQ-QOBDMFJFSA-N 361.354 1.606 5 1 FDBF Cc1ccnc2[nH]c([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc12 587273267 RDBPGTAXZHMZEM-STQMWFEESA-N 357.326 1.208 5 1 FDBF O=C(N[C@@H]1COc2nc([N+](=O)[O-])cn2C1)c1ccc(OC(F)(F)F)cc1 5974078 XSEMVOCUQUIOJC-VIFPVBQESA-N 372.259 1.881 5 1 FDBF CC=C(CO)C(=O)OCC1=CC[N@+]2([O-])CC[C@H](OC(=O)C=C(C)C)[C@H]12 2356318234 AONSFLPGAVAKID-IEZWGBDMSA-N 351.399 1.373 5 1 FDBF NCCCNCCCCNCCCNC(=O)c1ccc([N+](=O)[O-])cc1 27728992 CDCXEKYJBJBFMQ-UHFFFAOYSA-N 351.451 1.023 5 1 FDBF C[C@]12CNC(=O)N1C(=O)N(c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C2=O 40753708 FIQVFSQTTCQBID-GFCCVEGCSA-N 358.232 1.864 5 1 FDBF Nc1nc(C(Cl)(Cl)[N+](=O)[O-])nc(C(Cl)(Cl)[N+](=O)[O-])n1 21261043 YOTCBTDVDDWPLC-UHFFFAOYSA-N 351.921 1.183 5 1 FDBF biogenic Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](CC(=O)O)NC(=O)C(F)(F)F 29408412 HJJUORLLFVQCOS-VIFPVBQESA-N 363.248 1.364 5 1 FDBF Cc1ncc([N+](=O)[O-])n1CCn1cc(COc2ccc([N+](=O)[O-])cc2)nn1 40406735 YWFFIYSXMZKJFS-UHFFFAOYSA-N 373.329 1.879 5 1 FDBF CC1=C(c2ccc3nc(-c4cc([N+](=O)[O-])nn4C)[nH]c3c2)NNC(=O)C1 587275207 ZGYSPVHSSDIEPL-UHFFFAOYSA-N 353.342 1.627 5 1 FDBF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cncc([N+](=O)[O-])c2[nH]1 586946498 ZBGNZTVHWBCFQR-UHFFFAOYSA-N 351.344 1.484 5 1 FDBF O=C(c1c[nH]nc1[N+](=O)[O-])c1c(CO)oc2cc(Br)cnc12 587276333 MLWUTUKSRYKAQX-UHFFFAOYSA-N 367.115 1.945 5 1 FDBF CCOC(=O)[C@H](C)S(=O)(=O)c1nnc(-c2ccc([N+](=O)[O-])o2)s1 28570758 ZZPOICQJPDXZJV-LURJTMIESA-N 361.357 1.432 5 1 FDBF CN1N=C(O[C@@H]2c3ccc([N+](=O)[O-])cc3OC(C)(C)[C@@H]2O)[C@@H]2C[C@@H]2C1=O 27442354 AHVNKDIUGVPJEP-ZMJPVWNMSA-N 361.354 1.606 5 1 FDBF Cn1nc([N+](=O)[O-])cc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587275038 QSPWOPHTMAXYQN-UHFFFAOYSA-N 366.341 1.931 5 1 FDBF NS(=O)(=O)c1cc([N+](=O)[O-])c(OC(=O)c2ccccc2)c([N+](=O)[O-])c1 1857771334 QFRZEBWRPVBSLR-UHFFFAOYSA-N 367.295 1.370 5 1 FDBF CC(C)CNC(=O)COC(=O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 3318747 IEIAFRZONDJLHQ-UHFFFAOYSA-N 371.777 1.293 5 3 FDBF aggregator O=C(Oc1ccc(C[C@H]2NC(=S)NC2=O)cc1)c1ccccc1[N+](=O)[O-] 103199630 ROIRHTXJFQJGFZ-CYBMUJFWSA-N 371.374 1.729 5 1 FDBF C[N+](C)(C)[C@H](CNC(=O)c1nc(Cl)c(N)nc1N)Cc1ccccc1 84587661 WKMUGWBDSUFRTN-LBPRGKRZSA-O 363.873 1.342 5 1 FDBF CC1=CC(=O)O[C@@H]2CC[N@+]3([O-])CC=C(COC(=O)[C@](C)(O)[C@H](C)C1)[C@H]23 2356305095 NBOUCSAONIKVHC-LAMZGJDESA-N 351.399 1.205 5 1 FDBF O=c1nc2ccc(=S(=O)(O)O)cc-2/c1=N/Nc1ccccc1[N+](=O)[O-] 169686056 DBZVQMFKEAHTKX-LGMDPLHJSA-N 362.323 1.021 5 1 FDBF Cc1ncc([N+](=O)[O-])n1CCOC(=O)CCn1c([N+](=O)[O-])cnc1C 49021790 VCZDEOKIHNOIIS-UHFFFAOYSA-N 352.307 1.146 5 1 FDBF CC1=C(Sc2cccc([N+](=O)[O-])c2)[C@@H](COCCO)C(=O)NC1=O 102816281 YMZRHLSISUIVFY-GFCCVEGCSA-N 352.368 1.242 5 1 FDBF CS(=O)(=O)c1cc(-c2nc3c[nH]c(=N)[nH]c-3n2)cc([N+](=O)[O-])c1Cl 586925150 FRWMTPMLXXAITJ-UHFFFAOYSA-N 368.762 1.349 5 1 FDBF CC1(C)Oc2c(cc3c(=O)c4c(O)cc(O)cc4oc3c2O)[C@H](O)[C@H]1O 142727405 NOCZTTVABCCMNJ-SUMWQHHRSA-N 360.318 1.628 5 1 FDBF C[n+]1c2ccccc2c(CN[C@H](CCC(N)=O)C(=O)O)c2ccccc21 5883668 LEMRSHXBHNWTCF-MRXNPFEDSA-O 352.414 1.626 5 1 FDBF CC(=O)N1N=C(Cn2c([N+](=O)[O-])cnc2C)O[C@@H]1c1ccc2c(c1)OCO2 1857541402 VFBVUWYRIOGMBN-MRXNPFEDSA-N 373.325 1.719 5 1 FDBF O=[N+]([O-])c1cnc2[nH]c(-c3nccnc3I)nc2c1 587186878 XWMZEDWTXLWJTP-UHFFFAOYSA-N 368.094 1.928 5 1 FDBF CN(C)CCNC(=O)c1cccc2c(=O)c3ccc([N+](=O)[O-])cc3[nH]c12 27707060 HZXKHWFRCLJQBL-UHFFFAOYSA-N 354.366 1.881 5 1 FDBF CCN(CC)CC(=O)NCc1cn(-c2ccc(OC)cc2[N+](=O)[O-])nn1 95557262 WEAQFWMZVAINEP-UHFFFAOYSA-N 362.390 1.142 5 1 FDBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cnncc2[nH]1 587264940 AWWYGGHDNNQBJD-CPFSXVBKSA-N 359.302 1.703 5 1 FDBF O=C1c2cccn2[C@@]2(CC(O)=NC2=O)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 13781461 AHYQNEKGAJTQAW-QGZVFWFLSA-N 368.305 1.161 5 1 FDBF NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCO2 28708921 SICHUDAMPXHWCJ-ZDUSSCGKSA-N 371.349 1.079 5 1 FDBF CCOC(=O)c1nc(O)c2cc3cc(OC(C)=O)c(OC)cc3nc2n1 26644758 IPOKKXQKOUMPPQ-UHFFFAOYSA-N 357.322 1.994 5 1 FDBF OC[C@H]1O[C@@H](Oc2cc3ccccc3c3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O 38792102 XZKDYWXQSYKUST-OUUBHVDSSA-N 356.374 1.172 5 1 FDBF in-vitro Cc1cc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2cc1F 587272101 JKDGXOAWJAXEIU-GJZGRUSLSA-N 374.328 1.952 5 1 FDBF CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OC(C)(C)[C@@H](O)[C@H]2N1CCCC1=O 26280016 XFNZAUKETVIQJI-HOTGVXAUSA-N 363.370 1.749 5 1 FDBF CC[N+]12CC[N+](CCCCC[N+]34CC[N+](CC)(CC3)CC4)(CC1)CC2 299844694 SHYGYUCGNCACGD-UHFFFAOYSA-N 352.611 1.518 5 1 FDBF CCOC(=O)[C@H]1C(COC(=O)c2ccc([N+](=O)[O-])s2)=NC(=O)N[C@H]1C 169691685 YETNNLDJAUASNB-WRWORJQWSA-N 369.355 1.545 5 1 FDBF CC(=O)N1N=C(Cn2c([N+](=O)[O-])cnc2C)O[C@H]1c1ccc([N+](=O)[O-])cc1 1857554580 PNPVDHZHYXKZKZ-HNNXBMFYSA-N 374.313 1.899 5 1 FDBF O=[N+]([O-])c1ccc(Cc2nc3ccc(-n4cnnn4)cc3[nH]2)c([N+](=O)[O-])c1 587263480 ABAICTPXTQLFOH-UHFFFAOYSA-N 366.297 1.946 5 1 FDBF Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccc([N+](=O)[O-])cc3)ncc1CC2 49112094 RNNCVRNBQXSBEN-UHFFFAOYSA-N 365.353 1.726 5 1 FDBF CCOC(=O)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]2C(=O)NN=C2C[C@@]1(C)O 195473101 PGLOJNOMLZJZLP-QDEZUTFSSA-N 361.354 1.114 5 1 FDBF NC(=O)c1ccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 586919741 FMXOUWRKTFHDNX-UHFFFAOYSA-N 360.351 1.544 5 1 FDBF COc1cccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 587272147 KRYANVDMQVRXME-GJZGRUSLSA-N 372.337 1.513 5 1 FDBF COC(=O)C1=C2Nc3c(O)cccc3[C@]23CC[N+]2([O-])C[C@H](C(C)=O)[C@H]1C[C@H]32 49803109 IHIQBVVJOJVAEQ-WUYNXKEOSA-N 370.405 1.808 5 1 FDBF O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)[C@H]1C(=O)Nc1ccccc1 1772622038 KPMJJVZICTZUCF-ZDUSSCGKSA-N 368.305 1.433 5 1 FDBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587274610 QRFTYEYHLINUGQ-QMMMGPOBSA-N 350.360 1.119 5 1 FDBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 587269546 FDHGFHDTXSGAQP-NSHDSACASA-N 361.383 1.361 5 1 FDBF NC(=O)c1cc(N2CCC(c3nc4cncnc4[nH]3)CC2)ccc1[N+](=O)[O-] 587263204 OPCWNLGNGKATOB-UHFFFAOYSA-N 367.369 1.744 5 1 FDBF C[C@]1(CN2CCN(c3ccc(F)cc3)CC2)Cn2cc([N+](=O)[O-])nc2O1 653725542 DUQMHNVDXUYYHM-KRWDZBQOSA-N 361.377 1.904 5 1 FDBF CCCCOC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(C)=O 27891285 LUDAPTTVRAPYHF-CQSZACIVSA-O 356.376 1.575 5 1 FDBF CCOC(=O)CN1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C1=O 5767703 GYNLBAFRUMWVHC-UHFFFAOYSA-N 373.277 1.815 5 1 FDBF COCCNc1ccc(-c2nc3c(O)nc(S)nc3[nH]2)cc1[N+](=O)[O-] 587266515 ZKWCMNGSEQZKFL-UHFFFAOYSA-N 362.371 1.981 5 1 FDBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ccc(F)cc2[nH]1 587273812 VFSYCHARVANBFM-KBPBESRZSA-N 360.301 1.643 5 1 FDBF CCS(=O)(=O)NCCCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 586943724 HPETUDADRKOYPM-UHFFFAOYSA-N 357.348 1.251 5 1 FDBF CNS(=O)(=O)c1ccc(CCc2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 586947129 UDIWBLZCFRBRMP-UHFFFAOYSA-N 361.383 1.559 5 1 FDBF CC(=O)N1C(=O)[C@](O)(Cc2nc3sccn3c2[N+](=O)[O-])c2ccccc21 49785169 REVVCTXLTQSVOF-INIZCTEOSA-N 372.362 1.627 5 1 FDBF Cc1c(F)ccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 587274306 ZEFIVYRLYSITAD-GJZGRUSLSA-N 374.328 1.952 5 1 FDBF CCN(C)C(=O)c1cnc(N2CCOCC2)nc1-c1ccc([N+](=O)[O-])cc1 82150112 DEGPUMGNCJVQJJ-UHFFFAOYSA-N 371.397 1.980 5 1 FDBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccnc(N)c2[nH]1 587267103 UAZAFSMSFCWQJR-JMCQJSRRSA-N 373.329 1.891 5 1 FDBF O=C(O)CNCCNCc1nc2cc3nc4ccccc4nc3cc2[nH]1 587229581 ZDSDKIGFDHYBBS-UHFFFAOYSA-N 350.382 1.423 5 1 FDBF C[C@@H](C(=O)O)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)C(F)(F)F 13863116 DMGJZALHACJGRU-ZETCQYMHSA-N 356.278 1.720 5 1 FDBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3c(Cl)ncnc3[nH]2)cc1 586920228 ODMBGTWHEFSIQO-UHFFFAOYSA-N 353.747 1.888 5 1 FDBF CCCc1c2oc(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)n(C)c12 29485909 WQYFLHJHZIZBSN-UHFFFAOYSA-N 357.318 1.994 5 1 FDBF CCOC(=O)[C@@H](C(=O)O[C@H]1C[C@H]2[C@@H]3O[C@@H]3[C@@H](C1)[N+]2(C)C)c1ccccc1 103231437 LIZALLLKCNKGDD-MCEUPANISA-N 360.430 1.634 5 1 FDBF O=[N+]([O-])c1cncc2nc(-c3nccnc3I)[nH]c12 587186626 LSXZMGRJNAHSBG-UHFFFAOYSA-N 368.094 1.928 5 1 FDBF CN1N=C(O[C@@H]2c3cc([N+](=O)[O-])ccc3OC(C)(C)[C@@H]2O)[C@H]2C[C@H]2C1=O 58504691 PYPSJNAGDYFJCQ-GZZJDILISA-N 361.354 1.606 5 1 FDBF C[C@H](Cn1cccn1)n1cnc2cc3c(=O)n(C4CC4)nnc3cc2c1=O 73142296 LZWFZEZSYUNIHN-LLVKDONJSA-N 363.381 1.294 5 1 FDBF COC(=O)c1ccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2n1 587269136 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O=C(O)c1cc(=O)c2ccc3c(ccc4c(=O)cc(C(=O)O)[nH]c43)c2[nH]1 39221250 NFPMPKZUDLGFGQ-UHFFFAOYSA-N 350.286 1.919 5 1 FDBF COc1ccc([C@@H]2[C@@H](O)[C@H](OC(=O)C=C(C)C)[C@@H](CO)[N+]2(C)C)cc1 70455464 JQGUPZMVAIXFHM-NXWXRZEISA-N 350.435 1.426 5 1 FDBF O=C1N[C@]2(C[C@H]3CC[C@H]2C3)C(=O)N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 299847098 XCEPLDKVNHTEPD-YHAQOWFVSA-N 365.367 1.394 5 1 FDBF N[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(Br)=NO1 1857566114 LMRKWPKZGIZPCL-ONGXEEELSA-N 357.164 1.036 5 1 FDBF C/C1=C\C(=O)O[C@@H]2CC[N+]3([O-])CC=C(COC(=O)[C@](C)(O)[C@H](C)C1)[C@H]23 238777238 NBOUCSAONIKVHC-XDHFJAMASA-N 351.399 1.205 5 1 FDBF O=C(NCCO)c1ccc(CN2CCc3ccccc3C2)c([N+](=O)[O-])c1 2178320070 DUMDVJPIAVONLQ-UHFFFAOYSA-N 355.394 1.875 5 1 FDBF O=C(Cc1ccccc1[N+](=O)[O-])NCCNC[C@H](O)COc1ccccc1 28754709 VJTMLAIZVUQTRN-INIZCTEOSA-N 373.409 1.283 5 1 FDBF O=C(NN1C(=O)CCS[C@@H]1Cc1ccc([N+](=O)[O-])o1)c1ccncc1 84632090 XBZJVBHJTGHQCT-CQSZACIVSA-N 362.367 1.762 5 1 FDBF CO[C@H]1C=C[C@]23c4cc5c(cc4C[N+](C)(C[C@@H]2OC(C)=O)[C@@H]3C1)OCO5 169347263 PAZUNHBDXHNMHY-UCZMFNHNSA-N 358.414 1.902 5 1 FDBF CO[C@@H]1C=C[C@]23c4cc5c(cc4C[N+](C)(C[C@@H]2OC(C)=O)[C@@H]3C1)OCO5 58522946 PAZUNHBDXHNMHY-QYYVQIJYSA-N 358.414 1.902 5 1 FDBF C[C@@H]1CC(=O)[C@@H](Cc2nc3nc(Br)c[nH]c-3n2)[C@H]1C[N+](=O)[O-] 587263763 OHBCMXBMNLPXQA-CSMHCCOUSA-N 368.191 1.728 5 1 FDBF O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 169355167 AGTXHHZRNMTLHL-PMXAPFLYSA-N 353.334 1.293 5 1 FDBF COCCOCCOCCOc1ccc(C(C)([N+](=O)[O-])[N+](=O)[O-])cc1 1857745015 PKGISZRXSSISPF-UHFFFAOYSA-N 358.347 1.471 5 1 FDBF COc1ccc(C(=O)c2c3ccc([N+](=O)[O-])cc3[n+]([O-])n2CCCN)cc1 36383472 HHNOUPXCRKHNKB-UHFFFAOYSA-N 370.365 1.771 5 3 FDBF NS(=O)(=O)c1c[nH]c(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 586930448 UAEAOQBMMULKBX-UHFFFAOYSA-N 352.288 1.022 5 1 FDBF O=[N+]([O-])c1nn(-c2ccccc2)n(O)c1=NCc1ccc2c(c1)OCO2 263592144 AIJYISQFHHKZQG-UHFFFAOYSA-N 355.310 1.649 5 3 FDBF CN1N=C(O[C@H]2c3cc([N+](=O)[O-])ccc3OC(C)(C)[C@@H]2O)[C@@H]2C[C@@H]2C1=O 27437975 PYPSJNAGDYFJCQ-XXSPCDMZSA-N 361.354 1.606 5 1 FDBF CCOC(=O)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]2C(=O)NN=C2C[C@@]1(C)O 195473114 PGLOJNOMLZJZLP-VMUDFCTBSA-N 361.354 1.114 5 1 FDBF Cc1ncc([N+](=O)[O-])n1CCSC(=S)N1CCC2(CC1)OCCO2 84714549 KGQPMBSSENKMKD-UHFFFAOYSA-N 372.472 1.957 5 1 FDBF O=C(NCCNC[C@H](O)COc1ccccc1[N+](=O)[O-])Nc1ccccc1 28755078 KLOCJTPNHVJRDS-HNNXBMFYSA-N 374.397 1.746 5 1 FDBF O=c1c2cc([N+](=O)[O-])ccc2nc(CN2CCNCC2)n1-c1ccsc1 169303640 GMQGXVKDHIUUCC-UHFFFAOYSA-N 371.422 1.761 5 1 FDBF C[N+]1(CCO[P@](=O)(O)OCCOC2CCCCC2)CCOCC1 27874609 YTTSBHJNOIGVTG-UHFFFAOYSA-O 352.388 1.946 5 1 FDBF C[C@@H]1CC(=O)[C@H](Cc2nc3nc(Br)c[nH]c-3n2)[C@H]1C[N+](=O)[O-] 587263765 OHBCMXBMNLPXQA-PRJMDXOYSA-N 368.191 1.728 5 1 FDBF Cc1ccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2n1 587274027 YCVLBEQOAZGQPA-STQMWFEESA-N 357.326 1.208 5 1 FDBF COc1ccc(-n2nc3c(=O)[nH]c4c([N+](=O)[O-])cccc4n3c2=O)cc1 13580747 UGJOYDSLQDTUGS-UHFFFAOYSA-N 353.294 1.244 5 1 FDBF C/C=C1/C[N+]2([O-])CC[C@@H]1[C@@](CO)(C(=O)CO)c1[nH]c3ccccc3c1C2 238759795 MNNRWGNAWCNEAV-MATOVQAXSA-N 356.422 1.754 5 1 FDBF COC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1O[C@@H]1COc1ccc([N+](=O)[O-])cc1 5962755 IUVMRXAQHYAPAZ-RRFJBIMHSA-N 366.370 1.445 5 1 FDBF COc1ccc([N+](=O)[O-])cc1[C@@H](O)Cc1ccc2c(O)nc(O)nc2n1 587554676 MVXAHJIYJTWYIT-LBPRGKRZSA-N 358.310 1.629 5 1 FDBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(S(N)(=O)=O)cc2[nH]1 587267613 BRTNBZAYKOKIFL-UHFFFAOYSA-N 364.387 1.487 5 1 FDBF O=C1COCCN1c1ccc([C@@H]2CC(c3ccc([N+](=O)[O-])o3)=NO2)cn1 95564256 HFHXZVXNGMKLIG-ZDUSSCGKSA-N 358.310 1.812 5 1 FDBF CO[C@@H]1C=C[C@@]23c4cc5c(cc4C[N+](C)(C[C@@H]2OC(C)=O)[C@H]3C1)OCO5 13604096 PAZUNHBDXHNMHY-UBTPUODOSA-N 358.414 1.902 5 1 FDBF COc1cccc(-n2cc(Cn3ccc4cncnc43)nn2)c1[N+](=O)[O-] 1857562481 MNIRMWMJKSBBSW-UHFFFAOYSA-N 351.326 1.977 5 1 FDBF Oc1c2ccc(NC3=NCCN3)cc2nc2cc(NC3=NCCN3)ccc12 299854167 VIDXIMRESFFJEK-UHFFFAOYSA-N 361.409 1.836 5 1 FDBF CN(C)S(=O)(=O)c1cccc2nc(-c3cnc(N)c([N+](=O)[O-])c3)[nH]c12 587268373 UCVUYOWXVKADAY-UHFFFAOYSA-N 362.371 1.366 5 1 FDBF C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cccc([N+](=O)[O-])c2[nH]1 586940322 ZYYRVMIDZGRCDG-QMMMGPOBSA-N 350.360 1.244 5 1 FDBF CC1(C)Oc2c(cc3c(=O)c4c(O)cc(O)cc4oc3c2O)[C@H](O)[C@@H]1O 206335381 NOCZTTVABCCMNJ-GUYCJALGSA-N 360.318 1.628 5 1 FDBF Cc1ncc([N+](=O)[O-])n1CCN(C)CCCCn1ccnc1[N+](=O)[O-] 1639108 HLRJFQUADYAGLF-UHFFFAOYSA-N 351.367 1.617 5 1 FDBF O=[N+]([O-])c1ccc2c3c1nc1ccc(O)cc1c3[nH]n2CCNCCO 96901227 FNMAOAVZQDUTGZ-UHFFFAOYSA-N 355.354 1.867 5 1 FDBF COC(=O)[C@@H](NC(=O)[C@@H]1O[C@@H]1COc1ccc([N+](=O)[O-])cc1)C(C)C 5963155 XMOADVOSZYERKM-HZSPNIEDSA-N 352.343 1.055 5 1 FDBF CN1N=C(O[C@@H]2c3cc([N+](=O)[O-])ccc3OC(C)(C)[C@@H]2O)[C@H]2C[C@@H]2C1=O 100913536 PYPSJNAGDYFJCQ-DUBDDPSESA-N 361.354 1.606 5 1 FDBF CC1=CC(=O)O[C@@H]2CC[N@+]3([O-])CC=C(COC(=O)[C@](C)(O)[C@@H](C)C1)[C@@H]23 2356305097 NBOUCSAONIKVHC-XPAMCMLPSA-N 351.399 1.205 5 1 FDBF C/C=C(/C)C(=O)OC[C@@]1(O)CC[N+]2(C)CC[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 238733262 USPGRLYCAWSETE-BERNUSDOSA-N 352.451 1.728 5 1 FDBF CNC(=O)[C@H](C(=O)NO)N(C)C(=O)c1ccc(-c2ccc(OC)cc2)cc1 199744133 OFLQCPWLICIXKZ-MRXNPFEDSA-N 371.393 1.054 5 1 FDBF CN(C)S(=O)(=O)c1ccc2nc(-c3cnc(N)c([N+](=O)[O-])c3)[nH]c2c1 587267746 FVCVNBWCMQQQTQ-UHFFFAOYSA-N 362.371 1.366 5 1 FDBF COc1ccc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2n1 587272355 NOUWXCKSDZBFHR-LBPRGKRZSA-N 370.369 1.773 5 1 FDBF O=C1CCCCN1c1ccc(CO[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cn1 653793702 XYJZNBCSGQJWHG-ZDUSSCGKSA-N 373.369 1.681 5 1 FDBF COC(=O)C1=C(C)N2CCO[C@@]2(C)[C@@H](CO)[C@@H]1c1cccc([N+](=O)[O-])c1 95558824 BAYURLBLXOWJFY-ZVZYQTTQSA-N 362.382 1.796 5 1 FDBF CN1CCN(c2ccc([C@H]3CC(c4ccc([N+](=O)[O-])o4)=NO3)cn2)C(=O)C1 95561213 OFNMIOPMUGTZHI-CQSZACIVSA-N 371.353 1.727 5 1 FDBF CN(C)CCN(C)S(=O)(=O)c1ccc(C(C)(C)[N+](=O)[O-])c([N+](=O)[O-])c1 26846603 MTRGYDWWBARAKC-UHFFFAOYSA-N 374.419 1.289 5 1 FDBF COC(=O)Cc1c(C)nc2nc(NCc3cccc([N+](=O)[O-])c3)nn2c1O 101934943 NIPRVFXOPHLXJT-UHFFFAOYSA-N 372.341 1.374 5 1 FDBF O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)Nc1ccc([N+](=O)[O-])cc1 4845846 CTLRFYLARKOCDB-CJXOWJITSA-N 357.366 1.955 5 1 FDBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587274939 XFRMLOLOWNPRIJ-QMMMGPOBSA-N 351.344 1.718 5 1 FDBF O=C1CC[n+]2c([nH]c3ccccc32)[C-]1C(=O)Nc1ccccc1[N+](=O)[O-] 169687572 LDKGTYCHHQRECF-UHFFFAOYSA-O 350.334 1.898 5 1 FDBF N[C@@H](CSCC(=O)Nc1cc2cccnc2c2ncccc12)C(=O)O 6079992 ZFGIPRHDRFOMFO-LBPRGKRZSA-N 356.407 1.867 5 1 FDBF in-vivo C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 586939690 RHOBIGSMHFTZAR-QMMMGPOBSA-N 350.360 1.244 5 1 FDBF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cccc([N+](=O)[O-])c2[nH]1 586958332 INYJVEAHNNMGIO-OAHLLOKOSA-N 362.367 1.940 5 1 FDBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(C(=O)N(C)C)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587263657 NFINMFHUDBCYCK-RTXFEEFZSA-N 358.398 1.925 5 1 FDBF O=C1NC(=O)N(c2ccccc2)C(=O)[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 1772576237 ZKTHHLRFSJEORG-CYBMUJFWSA-N 368.305 1.433 5 1 FDBF N[C@@](CCCNC(=O)OCc1ccc([N+](=O)[O-])cc1)(C(=O)O)C(F)F 95557465 JTBRAGZZOUJIOM-CQSZACIVSA-N 361.301 1.648 5 1 FDBF O=[N+]([O-])c1cc2nc(CSc3nc(O)cc(O)n3)[nH]c2cc1[N+](=O)[O-] 586967120 UWNTZCNABFGZSQ-UHFFFAOYSA-N 364.299 1.873 5 1 FDBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(N)ccnc2[nH]1 587265870 HSCNGMNHNQQFLE-JVXZTZIISA-N 373.329 1.891 5 1 FDBF Cc1ncc([N+](=O)[O-])n1C[C@H](O)CN1CCN(c2ccccc2F)CC1 1772578871 DERZNJMNPOEYMB-CQSZACIVSA-N 363.393 1.422 5 1 FDBF C[C@@H](C(=O)O)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C(F)(F)F 13839994 FDOKVYNXRHHOSO-ZETCQYMHSA-N 356.278 1.720 5 1 FDBF BN1CC[C@H](c2ccc(S(=O)(=O)[C@@H]3C=CC([N+](=O)[O-])=CC3)cc2C)C1 2356822615 FXIBWASRESHULJ-DZGCQCFKSA-N 360.244 1.595 5 1 FDBF CN(C)S(=O)(=O)c1cccc2nc(-c3cc([N+](=O)[O-])nn3C)[nH]c12 587275075 SJLRCVOXKWQYQI-UHFFFAOYSA-N 350.360 1.122 5 1 FDBF CN(Cc1nc2cc([N+](=O)[O-])cnc2[nH]1)S(=O)(=O)c1ccc(F)cc1 587169702 HWOJNUKNBWMAKJ-UHFFFAOYSA-N 365.346 1.826 5 1 FDBF Nc1ncc(-c2cncc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)cn1 73196674 ODWRHVHZNGAJPY-UHFFFAOYSA-N 372.366 1.830 5 1 FDBF C/C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3([O-])CC[C@H](OC1=O)[C@H]23 105159121 PLGBHVNNYDZWGZ-BDXXKSBYSA-N 351.399 1.205 5 1 FDBF CN(C)C(=O)N(CCCN1CCOCC1)Cc1cccc([N+](=O)[O-])c1 40917236 DGKUWFMIKSTKDW-UHFFFAOYSA-N 350.419 1.801 5 1 FDBF O=C(N[C@@H]1COc2nc([N+](=O)[O-])cn2C1)c1cccc(OC(F)(F)F)c1 82153846 RJTOWKMDJJACTA-VIFPVBQESA-N 372.259 1.881 5 1 FDBF O=c1n([C@H]2CS[C@H](CO)O2)ccc2nc(-c3ccc([N+](=O)[O-])cc3)cn12 26834266 PMFFMBDECZRFEU-HUUCEWRRSA-N 374.378 1.652 5 1 FDBF O=C(NCCCc1cn[nH]c(=O)n1)c1cccc2nc3ccccc3nc12 5801233 KYURERXHIHHKBG-UHFFFAOYSA-N 360.377 1.624 5 1 FDBF COC(=O)C1=C2Nc3c(O)cccc3[C@]23CC[N@+]2([O-])C[C@H](C(C)=O)[C@H]1C[C@H]32 255219513 IHIQBVVJOJVAEQ-HFQXXQDVSA-N 370.405 1.808 5 1 FDBF CNC(=O)[C@@H](CO)NCc1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 27653346 SXQNQJPPXCZZAI-QGZVFWFLSA-N 359.382 1.370 5 1 FDBF C/C=C(/CO)C(=O)OCC1=CC[N+]2([O-])CC[C@@H](OC(=O)C=C(C)C)[C@@H]12 14685643 AONSFLPGAVAKID-VCLFDUNASA-N 351.399 1.373 5 1 FDBF COc1cc2nc3n(c(=O)c2cc1OC)-c1ccc([N+](=O)[O-])cc1C3=O 1655225 GNQYOFKHSATVEQ-UHFFFAOYSA-N 353.290 1.856 5 1 FDBF Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](CC(=O)O)NC(=O)C(F)(F)F 29408409 HJJUORLLFVQCOS-SECBINFHSA-N 363.248 1.364 5 1 FDBF O=C(NCc1ccccc1)[C@@H]1COC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)N1 38147794 LIRLGPFNGSYNTC-IRXDYDNUSA-N 369.377 1.337 5 1 FDBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc4c(cc3[nH]2)OCC(=O)N4)[C@H]1C[N+](=O)[O-] 587265716 XNCLKGGQHJHPLG-BBBLOLIVSA-N 358.354 1.554 5 1 FDBF NC1=NC2(CCCC2)N(OCCCOc2ccc([N+](=O)[O-])cc2)C(N)=N1 72105102 WOEBSFPYYSCQHN-UHFFFAOYSA-N 362.390 1.511 5 1 FDBF C[C@@H]1CC(=O)[C@@H](Cc2nc3c(S)nc(S)nc3[nH]2)[C@H]1C[N+](=O)[O-] 587261932 FDAZRLONBNBWCE-VQVTYTSYSA-N 353.429 1.591 5 1 FDBF CC1=CC(=O)O[C@@H]2CC[N@+]3([O-])CC[C@H](COC(=O)[C@](C)(O)[C@@H](C)C1)[C@@H]23 2356322038 PFFVEHWOTBKSGU-FGGNREORSA-N 353.415 1.285 5 1 FDBF CN1CCN(c2ccc([N+](=O)[O-])c(NCCCN3CCOCC3)c2)CC1 1911573894 FXGSTSWHSAMGJD-UHFFFAOYSA-N 363.462 1.481 5 1 FDBF O=C1CC[C@@H](N2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)C(=O)N1 49036738 HOOZLOYFWZBRPS-GFCCVEGCSA-N 353.290 1.149 5 1 FDBF COC(=O)CC[C@H](NSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)OC 95597365 QXIGGTOWIATHCU-VIFPVBQESA-N 373.343 1.595 5 1 FDBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 587274864 UXLKJUTYWWHEPB-QMMMGPOBSA-N 350.360 1.119 5 1 FDBF CCN1CCN(C(=S)SC[C@@H](O)Cn2c([N+](=O)[O-])cnc2C)CC1 1857627690 PBJQFCQGNSPYEV-LBPRGKRZSA-N 373.504 1.116 5 1 FDBF O=[N+]([O-])c1cnc(/C=C/c2ccc(F)cc2)n1CCn1cc(CO)nn1 1857650754 QUWFFZMGENVTCU-ZZXKWVIFSA-N 358.333 1.885 5 1 FDBF NC(=O)c1cc2c(cc1[N+](=O)[O-])[n+]([O-])c1n2CCc2c-1cccc2[N+](=O)[O-] 82153066 QPWDILNWULZPLJ-UHFFFAOYSA-N 369.293 1.413 5 1 FDBF CC1=C(C(=O)OC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)N(C(N)=O)C(=O)N1 3781972 JTILQSIVPVPOTG-CYBMUJFWSA-N 362.342 1.965 5 1 FDBF O=C(O)CNCCNCc1nc2c3cccnc3c3ncccc3c2[nH]1 587229483 YCBIJBVOORDICM-UHFFFAOYSA-N 350.382 1.423 5 1 FDBF NS(=O)(=O)Nc1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 95590188 FKHJQNPTIBCNKB-UHFFFAOYSA-N 351.344 1.854 5 1 FDBF NS(=O)(=O)c1ccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2c1 587148498 JDPJATHZUJIXES-UHFFFAOYSA-N 366.330 1.837 5 1 FDBF CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc([N+](=O)[O-])cc3)c2n1 28571078 QMWXFSCOZDFOGT-UHFFFAOYSA-N 357.374 1.870 5 1 FDBF O=c1c2cc([N+](=O)[O-])ccc2nc(CN2CCNCC2)n1-c1ccccc1 169341274 QWQPBWFFBRYBEZ-UHFFFAOYSA-N 365.393 1.699 5 3 FDBF NC(=O)C1CCN(C(=O)c2ccc3nc4ccccc4c(=O)n3c2)CC1 2965630 CISGCECZQHZVQK-UHFFFAOYSA-N 350.378 1.185 5 1 FDBF CO[C@@H]1C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN2[C@]1(C)OC 103185933 XAYBFOISZSSFGO-UKRRQHHQSA-N 354.794 1.690 5 1 FDBF O=C1[C@@H]2CCCN2C(=O)N1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 13762176 WWVXUNLGZHSZDX-HNNXBMFYSA-N 359.386 1.101 5 1 FDBF O=c1[nH]c2nonc2nc1Nc1ccc(OC(F)(F)F)c([N+](=O)[O-])c1 1911582288 UYAWSZFOCHNTSE-UHFFFAOYSA-N 358.192 1.857 5 1 FDBF NCCCNC[C@H](O)COc1cc(O)c2c(=O)c3ccccc3oc2c1 1772614578 SPWCDAKCSPDJMK-LBPRGKRZSA-N 358.394 1.330 5 1 FDBF C[N+]1(CC2CC2)[C@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@H]21 100523873 QVVOZYKELHAIPX-QBHHJXGXSA-N 358.458 1.843 5 1 FDBF in-man O=C(Oc1ccc(C[C@@H]2NC(=S)NC2=O)cc1)c1cccc([N+](=O)[O-])c1 103199518 DGSKWKSXCXMIIP-AWEZNQCLSA-N 371.374 1.729 5 1 FDBF N[C@@H](CP(=O)(O)O)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 586922048 IQMAKVDAQKAJIS-YFKPBYRVSA-N 365.080 1.411 5 1 FDBF Cc1ncc(CO)c2cc(C(N)=O)/c(=N/c3ccc([N+](=O)[O-])cc3)oc12 3911076 ZBWFFDGTVNQXHP-JZJYNLBNSA-N 354.322 1.868 5 1 FDBF Cc1ncc([N+](=O)[O-])n1CC[N@+](C)([O-])CCCCn1ccnc1[N+](=O)[O-] 299815143 CQNLNQRXIOPBLX-OAQYLSRUSA-N 367.366 1.629 5 1 FDBF O=C(Cc1ccc([N+](=O)[O-])cc1)NCCNC[C@@H](O)COc1ccccc1 28262913 DZZPHTIXGMLMGJ-QGZVFWFLSA-N 373.409 1.283 5 1 FDBF NC(=O)c1cccc2[nH]c(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc12 3819707 NKIQIAWGGYEICJ-UHFFFAOYSA-N 360.351 1.544 5 1 FDBF COc1cc(N2C(=O)[C@H](O)[C@H]2c2ccc([N+](=O)[O-])o2)cc(OC)c1OC 26163990 JBOKIFBCJUXOEW-ZIAGYGMSSA-N 364.310 1.662 5 1 FDBF CN(CC(=O)OCCN)C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82085735 UHAPXBZOXIVIFW-UHFFFAOYSA-N 364.383 1.292 5 1 FDBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc4c(cc3[nH]2)OCC(=O)N4)[C@H]1C[N+](=O)[O-] 587265727 XNCLKGGQHJHPLG-UTLUCORTSA-N 358.354 1.554 5 1 FDBF C[C@@H]1CC(=O)[C@H](Cc2nc3nc(Br)c[nH]c-3n2)[C@@H]1C[N+](=O)[O-] 587263762 OHBCMXBMNLPXQA-BWZBUEFSSA-N 368.191 1.728 5 1 FDBF CSCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1ccccc1[N+](=O)[O-] 103257230 KAKWLPOMEJZSQE-FZMZJTMJSA-N 366.443 1.605 5 1 FDBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(-n4cnnn4)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587263739 OCDHPVOEYWETPW-USWWRNFRSA-N 355.358 1.199 5 1 FDBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3c(O)ncnc3[nH]2)CC1 587271081 ZTGURRWCFQUFFC-UHFFFAOYSA-N 368.353 1.987 5 1 FDBF CCn1nc(C(=O)NC)c2c(C)n(-c3cccc([N+](=O)[O-])c3)nc2c1=O 49113379 BDJCBDWXMUEOBO-UHFFFAOYSA-N 356.342 1.178 5 1 FDBF COCCOC(=O)c1cc(=O)c(=O)c2oc3cc(N(C)C)ccc3[nH]c1=2 653794521 RJIGXKFSWRNWMA-UHFFFAOYSA-N 358.350 1.075 5 1 FDBF O=C(NCCN1CCNCC1)c1c[nH]c2c(ccc3ccccc32)c1=O 40845094 OICLWTRHHXEABW-UHFFFAOYSA-N 350.422 1.316 5 1 FDBF COC(=O)[C@@H]1C2=Nc3c(O)cccc3[C@]23CC[N+]2([O-])C[C@H](C(C)=O)[C@H]1C[C@H]32 169723801 CTKRJFAGLPBIOI-UJWUHRNLSA-N 370.405 1.831 5 1 FDBF NC1=N[C@H](c2ccccc2)NC(NCCCOc2ccc([N+](=O)[O-])cc2)=N1 71281042 HFUBRKKNVMQPAA-INIZCTEOSA-N 368.397 1.926 5 1 FDBF O=C1COCCN1c1ccc([C@H]2CC(c3ccc([N+](=O)[O-])o3)=NO2)cn1 95564257 HFHXZVXNGMKLIG-CYBMUJFWSA-N 358.310 1.812 5 1 FDBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2c[nH]c(=N)[nH]c-2n1 587263752 OEZXZLUMOOXEOY-QMMMGPOBSA-N 372.341 1.976 5 1 FDBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587267572 NPQUNLGLVFIEEE-QMMMGPOBSA-N 351.344 1.832 5 1 FDBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(N3CCOCC3)cc1)C2 653791968 REAVXZAOWWEWSK-HNNXBMFYSA-N 360.370 1.606 5 1 FDBF CO[C@@H]1C=C[C@@]23c4cc5c(cc4C[N+](C)(C[C@@H]2OC(C)=O)[C@@H]3C1)OCO5 13604093 PAZUNHBDXHNMHY-XMOMLCBYSA-N 358.414 1.902 5 1 FDBF COC(=O)c1nnn(-c2c(C)[nH]c3cccc([N+](=O)[O-])c23)c1C(=O)OC 587647616 KHEKAUYUYCJIMN-UHFFFAOYSA-N 359.298 1.538 5 1 FDBF NC(=O)CC[C@@H](NCc1c2ccccc2[n+]([O-])c2ccccc12)C(=O)O 5884147 GICJSHZCIMYWAS-OAHLLOKOSA-N 353.378 1.435 5 1 FDBF O=[N+]([O-])c1ccc(OC[C@H](O)CN2CCN(c3ccccn3)CC2)cc1 587063 GGXURMOANVJUKL-MRXNPFEDSA-N 358.398 1.552 5 1 FDBF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587203545 KYBCNLMOMMQJQU-LLVKDONJSA-N 351.338 1.689 5 1 FDBF CCCS(=O)(=O)N1CCC(c2nc3cncc([N+](=O)[O-])c3[nH]2)CC1 586955565 RBLANWCIKLKEBW-UHFFFAOYSA-N 353.404 1.785 5 1 FDBF Cc1cc2[nH]c(CN(C)S(=O)(=O)c3cccnc3)nc2cc1[N+](=O)[O-] 586929165 SYJBYEDMHIOTSC-UHFFFAOYSA-N 361.383 1.995 5 1 FDBF CC=C1C[C@H](C)[C@](C)(O)C(=O)OC[C@@H]2CC[N@+]3([O-])CC[C@H](OC1=O)[C@H]23 2356726245 IZXSCPRWPYQTJH-HYCFJWNYSA-N 353.415 1.285 5 1 FDBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(N)ncnc2[nH]1 587266823 PHUOZVWKFNCFLD-LDWIPMOCSA-N 374.317 1.286 5 1 FDBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587267191 GKUJBSMCEPDRME-QMMMGPOBSA-N 350.360 1.233 5 1 FDBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2nc(Br)c[nH]c-2n1 587275667 FPLJEHZIIFBUGG-LURJTMIESA-N 352.152 1.975 5 1 FDBF CC=C(C)C(=O)OC[C@]1(O)CC[N@+]2(C)CC[C@@H](OC(=O)C(C)=CC)[C@H]12 2356322638 USPGRLYCAWSETE-SMOSDQRPSA-N 352.451 1.728 5 1 FDBF CN1CCN(CCCOc2ccc3c(O)c([N+](=O)[O-])c(=O)oc3c2)CC1 29231260 MEYYCPOTPKLGNY-UHFFFAOYSA-N 363.370 1.423 5 1 FDBF NCCC[C@@](NC(=O)OCc1ccc([N+](=O)[O-])cc1)(C(=O)O)C(F)F 95552202 COQIKROFTRQKPD-AWEZNQCLSA-N 361.301 1.648 5 1 FDBF CCCS(=O)(=O)N1CCC(c2nc3cc([N+](=O)[O-])cnc3[nH]2)CC1 586954464 CWYPVRADCOKIMG-UHFFFAOYSA-N 353.404 1.785 5 1 FDBF C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586939742 SKSFCXJZVCVSOE-SSDOTTSWSA-N 368.350 1.383 5 1 FDBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(-n3cnnn3)cc2[nH]1 587268156 MIUVRGPUNJMGKH-UHFFFAOYSA-N 353.346 1.815 5 1 FDBF CCOc1ccc2nc3nc(=O)[nH]c(C)c3c(NC(C)(CO)CO)c2c1 17261019 KGOJPEJFYLHNCM-UHFFFAOYSA-N 358.398 1.334 5 1 FDBF CC(C)c1cc(=O)c2c(cc(O)c3c(=O)c4c(O)cccc4c(=O)c32)c1=O 2356805408 VICNIIRXDNRZGY-UHFFFAOYSA-N 362.337 1.997 5 1 FDBF CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1coc2ccc([N+](=O)[O-])cc2c1=O 71341835 QBNRMRNNYYUTJE-AWEZNQCLSA-N 373.321 1.892 5 1 FDBF O=C1[C@@H]2C[C@@H](O)CN2C(=O)c2ccccc2N1Cc1ccc([N+](=O)[O-])cc1 96917669 UKEZKGGRSYFGFS-PBHICJAKSA-N 367.361 1.717 5 1 FDBF Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3[N+](=O)[O-])ncc1CC2 49071901 GXNUDSNBBQOPIA-UHFFFAOYSA-N 365.353 1.726 5 1 FDBF O=[P@]1(N2CC[N+]3(CCN(Cc4ccccc4)CC3)CC2)NCCCO1 40567092 GNEGDAAGTVXRPM-RUZDIDTESA-N 365.438 1.753 5 1 FDBF Nc1cc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2cc1N 587269465 CLIMHGZEBRTKOY-NSHDSACASA-N 369.385 1.534 5 1 FDBF CN1CCN(CCNC(=O)c2c[nH]c3c(ccc4ccccc43)c2=O)CC1 40953275 NMNGDIBSPHCHNY-UHFFFAOYSA-N 364.449 1.659 5 1 FDBF CN1N=C(O[C@@H]2c3ccc([N+](=O)[O-])cc3OC(C)(C)[C@@H]2O)[C@H]2C[C@H]2C1=O 253848533 AHVNKDIUGVPJEP-OIMNJJJWSA-N 361.354 1.606 5 1 FDBF NS(=O)(=O)c1ccc(CCNc2ncnc(Cl)c2[N+](=O)[O-])cc1 64744339 XPZIHQXLSDNLNB-UHFFFAOYSA-N 357.779 1.340 5 1 FDBF in-vitro Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(CN3CCOCC3)cc2[nH]1 587274834 ULICEDADLFRRHJ-UHFFFAOYSA-N 356.386 1.857 5 1 FDBF Nc1nc2c([N+](=O)[O-])cccc2n2c(=O)n(-c3ccc([N+](=O)[O-])cc3)nc12 13580768 MACKWJKQZXXELD-UHFFFAOYSA-N 367.281 1.432 5 1 FDBF O=C(O)c1nn2c(O)nc3cc(Cl)c([N+](=O)[O-])cc3c2c1[N+](=O)[O-] 29060597 FWMPJEZZWOHAGY-UHFFFAOYSA-N 353.634 1.756 5 1 FDBF CCOC(=O)[C@H]1C(COC(=O)c2ccc([N+](=O)[O-])s2)=NC(=O)N[C@@H]1C 169691683 YETNNLDJAUASNB-RDDDGLTNSA-N 369.355 1.545 5 1 FDBF Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCCCNC(=O)O)c2cc1C 58638346 PXQGNCDJBRBLMJ-UHFFFAOYSA-N 357.370 1.249 5 1 FDBF in-vitro O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ncc([N+](=O)[O-])s1 299835792 LTNDMQJXEDUHAD-UHFFFAOYSA-N 365.283 1.506 5 1 FDBF O=[N+]([O-])c1cn2c(n1)[S@](=O)C[C@H](Oc1ccc(C(F)(F)F)cn1)C2 1857640139 HXZVNSUGOPEYMQ-KFKUIPHHSA-N 362.289 1.774 5 1 FDBF N=c1[nH]c2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)nc-2c(Cl)[nH]1 587269647 KYUCERRALLLKAO-UHFFFAOYSA-N 357.721 1.526 5 1 FDBF Oc1c2cc(NC3=NCCN3)ccc2nc2ccc(NC3=NCCN3)cc12 299853677 OITQVSPEFBSWML-UHFFFAOYSA-N 361.409 1.836 5 1 FDBF O=C(O)c1cccc(NCc2cc([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c23)c1 27867121 NPQZQOUCZOUVPL-UHFFFAOYSA-N 356.294 1.435 5 1 FDBF COc1cc(O)cc2c([C@H]3CC(=O)NC3=O)c3oc(C)cc(=O)c3c(O)c12 238783992 GFEMRSYHGJQOEC-SNVBAGLBSA-N 369.329 1.805 5 1 FDBF C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 219128503 GQBMKLDMCVZSGG-NSHDSACASA-N 365.353 1.688 5 1 FDBF O=c1n(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(O)c2n1CCCC2 169714913 SHZFDXOURORPDU-UHFFFAOYSA-N 373.413 1.380 5 1 FDBF C[C@H]1C(/C=C/C[N+]23CCC(CC2)CC3)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 26274629 JZQAZVHIAIFETA-ORJPDJGRSA-O 361.462 1.369 5 1 FDBF N[C@](CCCNC(=O)OCc1ccc([N+](=O)[O-])cc1)(C(=O)O)C(F)F 95557466 JTBRAGZZOUJIOM-AWEZNQCLSA-N 361.301 1.648 5 1 FDBF C[C@H]1OC[C@H]2[C@@H]3N(C(=O)CO)c4ccccc4[C@@]34CC[N+]3([O-])C[C@@H]1[C@@H]2C[C@@H]43 238732846 ZQMDAHUEILJWKN-IIYZXSNOSA-N 370.449 1.403 5 1 FDBF COc1cc([N+](=O)[O-])ccc1C(=O)NC(=O)NC1C[C@@H]2CC[C@H](C1)N2C 13454205 DGPKPILUPYJPQP-YOGCLGLASA-N 362.386 1.668 5 1 FDBF CC1=CC(=O)O[C@@H]2CC[N@+]3([O-])CC[C@H](COC(=O)[C@](C)(O)[C@H](C)C1)[C@H]23 2356322040 PFFVEHWOTBKSGU-PWEFDDCVSA-N 353.415 1.285 5 1 FDBF O=C(NCc1nc2cccc3c(=O)[nH][nH]c(n1)c23)c1ccc([N+](=O)[O-])cc1 59281543 OSWGQLWFDRBYKR-UHFFFAOYSA-N 364.321 1.638 5 1 FDBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc(-n3cnnn3)cc2[nH]1 587270787 OSILLXFQNGKIEQ-ZDUSSCGKSA-N 350.342 1.689 5 1 FDBF COc1ccc2c(c1)=C(c1ccc([N+](=O)[O-])cc1)NN=C(c1ccco1)N=2 5703692 LYQZKSZQACYDQB-UHFFFAOYSA-N 362.345 1.938 5 3 FDBF COC(=O)c1nc2ccccc2n1S(=O)(=O)c1ccccc1[N+](=O)[O-] 26650741 QOJHCNHNOMULJQ-UHFFFAOYSA-N 361.335 1.968 5 1 FDBF CC=C(CO)C(=O)OCC1=CC[N@+]2([O-])CC[C@@H](OC(=O)C=C(C)C)[C@@H]12 2356318235 AONSFLPGAVAKID-SUMDDJOVSA-N 351.399 1.373 5 1 FDBF Cc1cc2[nH]c([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc2c(C)n1 587271237 BAUBMVCSSXHNTB-GJZGRUSLSA-N 371.353 1.516 5 1 FDBF Cc1ncc(CNC(=O)COc2ccc([N+](=O)[O-])cc2Cl)c(N)n1 169349062 BUGATEWBUNNBED-UHFFFAOYSA-N 351.750 1.624 5 1 FDBF O=C(NCc1cn(Cc2cccc([N+](=O)[O-])c2)nn1)c1ccc([N+](=O)[O-])o1 103247624 ZQYADURCIMRPQU-UHFFFAOYSA-N 372.297 1.666 5 1 FDBF Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 586951675 UIZPHEAIFMDCID-UHFFFAOYSA-N 354.373 1.670 5 1 FDBF COc1ccc2c(c1)c(=O)c1c(NCC[N+](C)(C)[O-])ccc3nnn2c31 101321779 LSQHWHZFWZDGIV-UHFFFAOYSA-N 353.382 1.828 5 1 FDBF O=[N+]([O-])c1ncn(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1 84688817 GDTZGIHLYLXAPL-UHFFFAOYSA-N 365.293 1.184 5 1 FDBF Cc1ncc([N+](=O)[O-])n1C[C@@H](O)CN1CCN(c2ccccc2F)CC1 1772578868 DERZNJMNPOEYMB-AWEZNQCLSA-N 363.393 1.422 5 1 FDBF COc1cc(COC(=O)N2CSC[C@H]2C(=O)O)c([N+](=O)[O-])cc1OC 5848178 HLCVGBQZVARFNV-JTQLQIEISA-N 372.355 1.708 5 1 FDBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ncc[nH]c-2n1 587267143 UTJBELPYSMHWGG-WRWORJQWSA-N 359.302 1.655 5 1 FDBF CC(=O)Nc1nc2c([N+](=O)[O-])cccc2n2c(=O)n(-c3ccccc3)nc12 34635023 GTBLPAHUIUOYOL-UHFFFAOYSA-N 364.321 1.900 5 1 FDBF C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=CS[C@@H]12 73400081 INQPRANYYPUPLR-XOZVTBISSA-N 350.352 1.392 5 1 FDBF Nc1ccc2c(=O)c3c(sc4c(=O)c5ccc(N)cc5c(=O)c43)c(=O)c2c1 208116278 HJTNELIDNIQQJZ-UHFFFAOYSA-N 374.377 1.842 5 1 FDBF O=[N+]([O-])c1ccc(-c2cn3c(O)c4ncn(COCCO)c4nc3n2)cc1 27425169 QDIBFCCQZROLIY-UHFFFAOYSA-N 370.325 1.326 5 1 FDBF COc1ccc([N+](=O)[O-])cc1[C@H](O)Cc1ccc2c(O)nc(O)nc2n1 587554675 MVXAHJIYJTWYIT-GFCCVEGCSA-N 358.310 1.629 5 1 FDBF N[C@@H](CP(=O)(O)O)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 586923365 SGZHYWBIUYGEPL-YFKPBYRVSA-N 365.080 1.411 5 1 FDBF N[C@]1(CO)CCc2cc(-c3nc(-c4ccnc([N+](=O)[O-])c4)no3)ccc2C1 1772584175 UXWHIQXQKOELNU-GOSISDBHSA-N 367.365 1.885 5 1 FDBF O=S(=O)(O)c1ccc2c(c1)nc(O)c1cc(S(=O)(=O)O)ccc12 29414027 DGNVEWQPTRAXEO-UHFFFAOYSA-N 355.349 1.587 5 1 FDBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1cnc([N+](=O)[O-])n1 587872364 WJAHMERVPJNPDS-UHFFFAOYSA-N 360.305 1.928 5 1 FDBF NCCCCNC[C@H](O)COc1cc(O)c2c(=O)c3ccccc3oc2c1 1772630265 KWCAMNNKHWGVDW-ZDUSSCGKSA-N 372.421 1.720 5 1 FDBF CCOC(CN1CC[N+]2(CCCC2)CC1)CN1CC[N+]2(CCCC2)CC1 29466539 IWNLYYFJAYBQOF-UHFFFAOYSA-N 366.594 1.244 5 1 FDBF COc1cc([N+](=O)[O-])ccc1NC(=O)Cc1ccc2c(O)nc(O)nc2n1 587556688 ZEMBWFXRTWKLBD-UHFFFAOYSA-N 371.309 1.534 5 1 FDBF COc1cc2c(c3oc4c(O)cccc4c(=O)c13)C[C@H]([C@@](C)(O)CO)O2 5758954 OKYQPZWHWUYPGE-KUHUBIRLSA-N 358.346 1.707 5 1 FDBF biogenic CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2[N+](=O)[O-])N(C(N)=O)C(=O)N1 13820427 FCVDBJYRGKUHBC-ZDUSSCGKSA-N 362.342 1.965 5 1 FDBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1nnc(-c3ccc(F)cc3)o1)C2 45253452 XIKYCIQVJPIMPA-NSHDSACASA-N 361.289 1.958 5 1 FDBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2c[nH]c(=N)[nH]c-2n1 587263749 OEZXZLUMOOXEOY-MRVPVSSYSA-N 372.341 1.976 5 1 FDBF O=C1N[C@@]2(C[C@H]3CC[C@H]2C3)C(=O)N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 299847095 XCEPLDKVNHTEPD-AMJWSMQMSA-N 365.367 1.394 5 1 FDBF COC(=O)C1=C2Nc3ccccc3[C@@]23CC[N+]2([O-])C[C@@H]([C@@H](C)O)[C@@H]1C[C@@H]32 15149227 WSBPZWLQDOELJZ-KAAXZQBASA-N 356.422 1.894 5 1 FDBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c[nH]c(=N)[nH]c-2n1 587266847 POJWJGUCPVNWMN-KGFZYKRKSA-N 374.317 1.067 5 1 FDBF O=[N+]([O-])c1cc(C[S@@](=O)c2nnnn2-c2ccccc2)cc([N+](=O)[O-])c1 169331775 VYAAFEXAVJHMEK-AREMUKBSSA-N 374.338 1.787 5 1 FDBF O=[N+]([O-])c1ccc(OC[C@@H](O)CN2CCN(c3ccccn3)CC2)cc1 587056 GGXURMOANVJUKL-INIZCTEOSA-N 358.398 1.552 5 1 FDBF Cc1cc(F)c2[nH]c([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc2c1 587272517 NKYIXPYITILHEC-GJZGRUSLSA-N 374.328 1.952 5 1 FDBF O=C(O)c1ccc2oc3ccc(OC[C@@H](O)COCCO)cc3c(=O)c2c1 169321980 MJDSXBCJBIRTOY-LBPRGKRZSA-N 374.345 1.393 5 1 FDBF CC(=O)N1C(=O)[C@@](O)(Cc2nc3sccn3c2[N+](=O)[O-])c2ccccc21 49785168 REVVCTXLTQSVOF-MRXNPFEDSA-N 372.362 1.627 5 1 FDBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(N)ccnc2[nH]1 587265874 HSCNGMNHNQQFLE-KRTXAFLBSA-N 373.329 1.891 5 1 FDBF NC(=O)CC[C@@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C(=O)O 5543698 ZDIBLEUDVAOFJG-CQSZACIVSA-N 367.361 1.130 5 1 FDBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(N)ncnc2[nH]1 587266832 PHUOZVWKFNCFLD-WKEGUHRASA-N 374.317 1.286 5 1 FDBF NCCNC(=O)c1c2c(c3c(O)c4ccccc4c4ncnc1c34)=NCCN2 27875418 VXGJDYBLBWXYBM-UHFFFAOYSA-N 374.404 1.094 5 1 FDBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccnc(N)c2[nH]1 587267104 UAZAFSMSFCWQJR-JVXZTZIISA-N 373.329 1.891 5 1 FDBF NS(=O)(=O)c1ccc(O)c(NC(=O)Nc2ccccc2[N+](=O)[O-])c1 1857657007 ROMKHYLOEFSRJQ-UHFFFAOYSA-N 352.328 1.592 5 1 FDBF C/C=C(/C)C(=O)OC[C@@]1(O)CC[N+]2(C)CC[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 238761992 USPGRLYCAWSETE-YELZOJQSSA-N 352.451 1.728 5 1 FDBF O=C(O)[C@H]1O[C@@H](Oc2cc3ccccc3c3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O 38792101 VVADHOLYTSDFGC-HBWRTXEVSA-N 370.357 1.264 5 1 FDBF in-vitro C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cncnc2[nH]1 587267457 ZEONULSSDNKKAC-MADCSZMMSA-N 359.302 1.703 5 1 FDBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)nn2)c1 587270643 XUAQGCOUFUSCSX-UHFFFAOYSA-N 374.324 1.695 5 1 FDBF Cn1cc(C(=O)O)c(=O)c2cc3cc(F)c(N4CCNCC4)cc3nc21 13558476 DSVUDVLAJNLTJM-UHFFFAOYSA-N 356.357 1.334 5 1 FDBF O=[N+]([O-])c1ccc(Cc2ccc(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1 27998432 QSDSZOAFLXTJCE-XDNAFOTISA-N 361.350 1.003 5 1 FDBF COc1ccc2c(c1O)-c1c(O)c(OC)cc(CC[N+](C)(C)CO)c1C2=O 238787911 ZAGLUBLOPGIVEQ-UHFFFAOYSA-O 374.413 1.895 5 1 FDBF Nc1ccnc2[nH]c(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc12 587271253 DQKUJAUQENGUSY-LBPRGKRZSA-N 355.358 1.347 5 1 FDBF CC=C(CO)C(=O)OCC1=CC[N@+]2([O-])CC[C@@H](OC(=O)C=C(C)C)[C@H]12 2356318233 AONSFLPGAVAKID-AYBZRNKSSA-N 351.399 1.373 5 1 FDBF O=[N+]([O-])c1ncn(CCCCNS(=O)(=O)c2ccc(Cl)s2)n1 299821279 CEBABMFYBBEYCC-UHFFFAOYSA-N 365.824 1.660 5 1 FDBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 586920430 JPEGWRAICWYUOG-UHFFFAOYSA-N 363.311 1.748 5 1 FDBF CC(C)(C)OC(=O)N[C@H](Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)C(=O)O 25991159 UDSNLIDNCZEQPC-SECBINFHSA-N 371.302 1.729 5 1 FDBF C[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OCCN 82083449 OUOUSZHCFXVPJV-VIFPVBQESA-N 364.383 1.339 5 1 FDBF Cc1cc(C)nc(NC(=O)NS(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)n1 1857620102 NPVUCUHVRANAOD-UHFFFAOYSA-N 367.343 1.447 5 1 FDBF CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)SCC(=O)O 1857649816 HQWFUNJFBVKDOH-NSHDSACASA-N 372.424 1.791 5 1 FDBF COc1cc2c(cc1OC)[C@@H]1[C@H](OC(C)=O)[C@@H](O)C[C@H]3CC[N@@+]([O-])(C2)[C@@H]13 1857553107 YWRLQSMCNFENNG-QXHMTGRISA-N 363.410 1.700 5 1 FDBF COc1ccc(CC(=O)NCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC 473128160 YUHUXONKERZGAZ-UHFFFAOYSA-N 373.365 1.909 5 1 FDBF Nc1nc(O)c2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2n1 587108988 FHOMUFVXDSUIOK-UHFFFAOYSA-N 354.248 2.159 5 1 FDBF CCOC(=O)CCCn1cnc2cc(OC)c(OC)c([N+](=O)[O-])c2c1=O 13800964 UPTXQTWHXTYVCX-UHFFFAOYSA-N 365.342 1.665 5 1 FDBF COc1cccc2c(=O)c3c(O)cc4c(c3oc12)[C@@H]1OC[C@@](O)(CO)[C@@H]1O4 14682357 CVWDBIOBFVCYRC-OTWHNJEPSA-N 372.329 1.216 5 1 FDBF biogenic O=C1NC(=O)N(c2ccccc2)C(=O)[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 1772617725 PJCADYZTBZDOQZ-ZDUSSCGKSA-N 368.305 1.433 5 1 FDBF C[C@H]1OC=C2[C@H]3C[C@H]4[C@@]5(CC[N+]4([O-])C[C@H]31)c1ccccc1N(C(=O)CO)[C@@H]25 85831144 SIWBYEAWVJIDIQ-XHKOTHSASA-N 368.433 1.671 5 1 FDBF CN1N=C(O[C@@H]2c3ccc([N+](=O)[O-])cc3OC(C)(C)[C@@H]2O)[C@H]2C[C@@H]2C1=O 102191222 AHVNKDIUGVPJEP-CDGCEXEKSA-N 361.354 1.606 5 1 FDBF O=[N+]([O-])c1cccnc1NCc1nc2nc(Br)c[nH]c-2n1 587269731 ZWEPROJXWFGMIZ-UHFFFAOYSA-N 350.136 1.982 5 1 FDBF CCN(C)c1ncc(C(=O)N2CCOCC2)c(-c2cccc([N+](=O)[O-])c2)n1 82135008 LTEINWHWHXNYQT-UHFFFAOYSA-N 371.397 1.980 5 1 FDBF O=[N+]([O-])c1ncn(CCCNS(=O)(=O)c2ccc(Cl)s2)n1 84689772 WEOVOGXAQHVQGN-UHFFFAOYSA-N 351.797 1.270 5 1 FDBF O=C(O)[C@H]1C(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)[C@@H]1C(=O)O 587970341 FWTDMEVFMUCZOW-BQBZGAKWSA-N 370.115 1.732 5 1 FDBF O=C(O)[C@H]1[C@H](c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)[C@H]1C(=O)O 587970344 FWTDMEVFMUCZOW-POBXSPIYSA-N 370.115 1.732 5 1 FDBF CC=C(C)C(=O)OC[C@]1(O)CC[N@+]2(C)CC[C@@H](OC(=O)C(C)=CC)[C@@H]12 2356322637 USPGRLYCAWSETE-GJJHYRHESA-N 352.451 1.728 5 1 FDBF COc1cc(Cc2ccc3c(O)nc(O)nc3n2)c([N+](=O)[O-])cc1OC 587556639 YQDDUCLDVWRMNP-UHFFFAOYSA-N 358.310 1.952 5 1 FDBF O=C(n1nc(O)n(-c2ccc([N+](=O)[O-])cc2)c1=O)C(Cl)(Cl)Cl 1648826 VBYLJKKSZHRXGO-UHFFFAOYSA-N 367.532 1.658 5 1 FDBF CC=C(C)C(=O)OC[C@]1(O)CC[N@+]2(C)CC[C@H](OC(=O)C(C)=CC)[C@@H]12 2356322635 USPGRLYCAWSETE-FEHORTKBSA-N 352.451 1.728 5 1 FDBF COc1cc2c(c3oc4c(O)cccc4c(=O)c13)C[C@@H]([C@@]1(CO)CO1)O2 5767593 IRUAVZYYGCAGAL-IFXJQAMLSA-N 356.330 1.725 5 1 FDBF biogenic O=C1c2cccn2[C@]2(CC(O)=NC2=O)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 13781462 AHYQNEKGAJTQAW-KRWDZBQOSA-N 368.305 1.161 5 1 FDBF CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 27900643 RVBJLIXVRSKZML-UHFFFAOYSA-N 361.335 1.921 5 1 FDBF CC=C1C[C@H](C)[C@](C)(O)C(=O)OC[C@@H]2CC[N@+]3([O-])CC[C@H](OC1=O)[C@@H]23 2356726249 IZXSCPRWPYQTJH-WUFHBTDVSA-N 353.415 1.285 5 1 FDBF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 586958275 HESBLQJFHFJYFY-CQSZACIVSA-N 363.355 1.335 5 1 FDBF CS(=O)(=O)c1cc(-c2nc3c(O)ncnc3[nH]2)cc([N+](=O)[O-])c1Cl 586926335 NMUBUYJUFSWQHC-UHFFFAOYSA-N 369.746 1.691 5 1 FDBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cn(-c3ccc(F)cc3)nn1)C2 45253710 ASGAMFCJCPWHAJ-ZDUSSCGKSA-N 360.305 1.489 5 1 FDBF CNC(=O)[C@@H](C(=O)NO)N(C)C(=O)c1ccc(-c2ccc(OC)cc2)cc1 199744119 OFLQCPWLICIXKZ-INIZCTEOSA-N 371.393 1.054 5 1 FDBF COc1cc2c(c3oc4c(O)cccc4c(=O)c13)C[C@@H]([C@@](C)(O)CO)O2 5758952 OKYQPZWHWUYPGE-LIRRHRJNSA-N 358.346 1.707 5 1 FDBF biogenic CC1=CC(=O)O[C@@H]2CC[N@+]3([O-])CC[C@H](COC(=O)[C@](C)(O)[C@H](C)C1)[C@@H]23 2356322041 PFFVEHWOTBKSGU-WEBLYMHPSA-N 353.415 1.285 5 1 FDBF COc1cc2c(c3oc4c(O)cccc4c(=O)c13)C[C@@H]([C@]1(CO)CO1)O2 5767590 IRUAVZYYGCAGAL-LIRRHRJNSA-N 356.330 1.725 5 1 FDBF biogenic CN1N=C(O[C@H]2c3ccc([N+](=O)[O-])cc3OC(C)(C)[C@@H]2O)[C@@H]2C[C@@H]2C1=O 27442348 AHVNKDIUGVPJEP-UVLXDEKHSA-N 361.354 1.606 5 1 FDBF COc1cc2c(c3oc4c(O)cccc4c(=O)c13)C[C@@H]([C@](C)(O)CO)O2 5758951 OKYQPZWHWUYPGE-IFXJQAMLSA-N 358.346 1.707 5 1 FDBF biogenic COc1cc2c(c3c1c(=O)c1ccccc1n3C)C[C@H]([C@](C)(O)CO)O2 40423237 BSRYGFPKRGXLTO-OXQOHEQNSA-N 355.390 1.747 5 1 FDBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2c(O)nc(O)nc2[nH]1 587117201 HUCRMLGCNOHXBX-UHFFFAOYSA-N 359.224 1.244 5 1 FDBF O=C1[C@H]2CCCN2C(=O)N1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 13762178 WWVXUNLGZHSZDX-OAHLLOKOSA-N 359.386 1.101 5 1 FDBF Oc1c2ccc(NC3=NCCN3)cc2nc2ccc(NC3=NCCN3)cc12 299853225 HYPCWYOPAAVKOS-UHFFFAOYSA-N 361.409 1.836 5 1 FDBF OC[C@H]1O[C@@H](Oc2cccc3c2ccc2ccccc23)[C@H](O)[C@@H](O)[C@@H]1O 38792103 RYTFSXYZAYHCOC-OUUBHVDSSA-N 356.374 1.172 5 1 FDBF in-vitro CN(Cc1nc2cncc([N+](=O)[O-])c2[nH]1)S(=O)(=O)c1ccc(F)cc1 587171377 XULXPLDHUKZCGF-UHFFFAOYSA-N 365.346 1.826 5 1 FDBF COc1ccc(-n2nc3c(N)nc4c([N+](=O)[O-])cccc4n3c2=O)cc1 13580769 JCIPMVJKIINWMG-UHFFFAOYSA-N 352.310 1.532 5 1 FDBF Cc1cccn2c(=O)c3cc(C(=O)O)c(=N)n(Cc4ccco4)c3nc12 1857598875 AOUZNTIFNYJHPG-UHFFFAOYSA-N 350.334 1.777 5 1 FDBF NS(=O)(=O)c1cccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c12 587148814 LELCCWKYNKWSAZ-UHFFFAOYSA-N 366.330 1.837 5 1 FDBF O=c1c2ccc(Cl)cc2[nH]c2c(O)nn(Cc3cnccn3)c(=O)c12 28655944 XTYSVCVWVQMEJD-UHFFFAOYSA-N 355.741 1.435 5 1 FDBF O=C(NCc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1)c1ccc([N+](=O)[O-])o1 103247628 VWUYCXMABWTYNT-UHFFFAOYSA-N 372.297 1.666 5 1 FDBF NC1=N[C@@H](c2ccccc2)NC(NCCCOc2ccc([N+](=O)[O-])cc2)=N1 71281044 HFUBRKKNVMQPAA-MRXNPFEDSA-N 368.397 1.926 5 1 FDBF CC1=C(c2ccc3nc(Cn4c([N+](=O)[O-])cnc4C)[nH]c3c2)NNC(=O)C1 587273550 IBTGPJIRMLMESV-UHFFFAOYSA-N 367.369 1.780 5 1 FDBF CCOC(=O)c1cc([N+](=O)[O-])cnc1SNC(=O)Nc1ncccn1 26400100 DBXPXHRDTYFVRX-UHFFFAOYSA-N 364.343 1.785 5 1 FDBF O=c1n([C@H]2CS[C@@H](CO)O2)ccc2nc(-c3ccc([N+](=O)[O-])cc3)cn12 26834269 PMFFMBDECZRFEU-CABCVRRESA-N 374.378 1.652 5 1 FDBF Cc1c(NC(=O)[C@H](CC(=O)O)NC(=O)C(F)(F)F)cccc1[N+](=O)[O-] 29403972 NEBZWXOLIYGNTE-QMMMGPOBSA-N 363.248 1.364 5 1 FDBF COC(=O)C1=C2Nc3c(O)cccc3[C@]23CC[N@@+]2([O-])C[C@H](C(C)=O)[C@H]1C[C@H]32 299811592 IHIQBVVJOJVAEQ-VNMXKGOCSA-N 370.405 1.808 5 1 FDBF NS(=O)(=O)c1ccc(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 103260807 KGAWITYILIMCOO-UHFFFAOYSA-N 361.335 1.038 5 1 FDBF CN(C)CCNc1ccc2nnn3c4ccc([N+](=O)[O-])cc4c(=O)c1c23 26728127 MZBGHWWZAKUUJJ-UHFFFAOYSA-N 352.354 1.715 5 1 FDBF NC(=O)c1cccc(C[C@H](N)c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 587259947 JYBNTHRTNSIZMA-JTQLQIEISA-N 370.325 1.721 5 1 FDBF CCCCCC(=O)O[C@H](CO)CO[P@@](=O)(O)OCC[N+](C)(C)C 38791439 MYMVJSVDPWLZNA-CYBMUJFWSA-O 356.376 1.311 5 1 FDBF O=C(O)c1ccc(NCc2cc([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c23)cc1 27864657 UGGMKXVCAHOHNV-UHFFFAOYSA-N 356.294 1.435 5 1 FDBF CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OC(C)(C)[C@@H](O)[C@@H]2N1CCCC1=O 26280010 XFNZAUKETVIQJI-CVEARBPZSA-N 363.370 1.749 5 1 FDBF CC(CO)(CO)NC[C@@H](O)COc1cccc2c(=O)c3ccccc3oc12 40411792 TZEMJQAAXQUFLH-CYBMUJFWSA-N 373.405 1.019 5 1 FDBF Cc1cc(NC(=O)[C@H](CC(=O)O)NC(=O)C(F)(F)F)ccc1[N+](=O)[O-] 29405446 VUZZYYPBKAJMHB-QMMMGPOBSA-N 363.248 1.364 5 1 FDBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ncc[nH]c-2n1 587267142 UTJBELPYSMHWGG-RDDDGLTNSA-N 359.302 1.655 5 1 FDBF O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)[C@@H]1C(=O)Nc1ccccc1 1772622037 KPMJJVZICTZUCF-CYBMUJFWSA-N 368.305 1.433 5 1 FDBF O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O)Nc1ccc([N+](=O)[O-])cc1 4845847 CTLRFYLARKOCDB-OJXGSEEGSA-N 357.366 1.955 5 1 FDBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(C(=O)N(C)C)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587263658 NFINMFHUDBCYCK-WXHSDQCUSA-N 358.398 1.925 5 1 FDBF CNC(=O)Nc1ccc2c(c1)/c(=C/C(=O)O)c1c2nc(O)c2nccn21 100848085 ZWARPVUWEMVTAD-XFFZJAGNSA-N 351.322 1.077 5 1 FDBF COC(=O)c1nnn(-c2c(C)[nH]c3cc([N+](=O)[O-])ccc23)c1C(=O)OC 587647788 PWLMZUFGIKJPGZ-UHFFFAOYSA-N 359.298 1.538 5 1 FDBF CCOC(=O)[C@@H]1C(COC(=O)c2ccc([N+](=O)[O-])s2)=NC(=O)N[C@H]1C 169691684 YETNNLDJAUASNB-CPCISQLKSA-N 369.355 1.545 5 1 FDBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc4c(cc3[nH]2)OCC(=O)N4)[C@@H]1C[N+](=O)[O-] 587265719 XNCLKGGQHJHPLG-KXUCPTDWSA-N 358.354 1.554 5 1 FDBF C[C@@]12CNC(=O)N1C(=O)N(c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C2=O 40753705 FIQVFSQTTCQBID-LBPRGKRZSA-N 358.232 1.864 5 1 FDBF O=C1COCCN1c1ccc(CO[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cc1 653791929 OONMGCSHBIPQHN-AWEZNQCLSA-N 374.353 1.132 5 1 FDBF Nc1nc(-c2cccc([N+](=O)[O-])c2)c(I)c(=O)[nH]1 3653795 VXTXTXSPZIZKTK-UHFFFAOYSA-N 358.095 1.532 5 1 FDBF CCOCc1c2oc(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)oc12 169344943 QSVGJQVWPCKLQD-UHFFFAOYSA-N 360.274 1.832 5 1 FDBF O=c1c2ccccc2oc2cc(OC[C@@H](O)CNCCCO)cc(O)c12 71294243 ZMVIWQHTWZUCQA-LBPRGKRZSA-N 359.378 1.364 5 1 FDBF COc1ccc([C@@H]2OC(Cn3c([N+](=O)[O-])cnc3C)=NN2C(C)=O)cc1 96929454 OAOBEBARUZJCID-INIZCTEOSA-N 359.342 1.999 5 1 FDBF Cc1ncc([N+](=O)[O-])n1CCn1cc(CNCCc2ccccc2)nn1 653718537 XPRVBFZZVHXXIM-UHFFFAOYSA-N 355.402 1.724 5 1 FDBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(O)nc(N)nc2[nH]1 587264087 BAEYTXXWNBCTFK-YFKPBYRVSA-N 360.290 1.630 5 1 FDBF CCCc1cc(=O)oc2c3c(cc(OCCO)c12)O[C@H]([N+](=O)[O-])[C@H]3O 169343013 LJCBKLUFDJWXAI-HOCLYGCPSA-N 351.311 1.145 5 1 FDBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cnn(-c3ccc(F)cc3)n1)C2 45245091 BTVZUFPZQMNJAP-ZDUSSCGKSA-N 360.305 1.489 5 1 FDBF N[C@@H](CCc1nc2ccnc(O)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587271091 AEYOFAJGBHGWAH-NSHDSACASA-N 356.342 1.470 5 1 FDBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587271001 WAPOLDFEPMWURL-LBPRGKRZSA-N 362.367 1.960 5 1 FDBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587271038 XSTGWPOIZDSWAX-LBPRGKRZSA-N 361.383 1.361 5 1 FDBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(S(C)(=O)=O)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587263388 MICGCSJIOQFTRM-JLLWLGSASA-N 365.411 1.627 5 1 FDBF Cc1ccc(NC(=O)Nn2c(=O)c(=O)[nH]c3cc([N+](=O)[O-])ccc32)cc1 26642498 POAYYEZAKXTTRB-UHFFFAOYSA-N 355.310 1.682 5 1 FDBF COC(=O)c1cc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2cn1 587263889 HNQBZVLNOPXPPC-VIFPVBQESA-N 357.326 1.601 5 1 FDBF O=[N+]([O-])c1ccn(CCCc2nc3ccc(S(=O)(=O)O)cc3[nH]2)n1 587274473 WNBQDWJLDDLFFJ-UHFFFAOYSA-N 351.344 1.547 5 1 FDBF CN(Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)S(=O)(=O)c1cccnc1 586929625 YXQMAWOTQAKFNL-UHFFFAOYSA-N 365.346 1.826 5 1 FDBF COc1cc[nH]c1/C=C1\C(=O)Nc2ccc([N+](=O)[O-])c(N3CC[C@@H](O)C3)c21 13478400 AIDMUEJGKCTNDD-UBYNWHESSA-N 370.365 1.995 5 1 FDBF CCOC(=O)[C@@H](C)S(=O)(=O)c1nnc(-c2ccc([N+](=O)[O-])o2)s1 28570757 ZZPOICQJPDXZJV-ZCFIWIBFSA-N 361.357 1.432 5 1 FDBF CN1CCC=C([C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CCO2)C1 40955718 JATAXFPDBIDRHF-INIZCTEOSA-N 367.427 1.246 5 1 FDBF CN(CC(=O)OCCN)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82085691 YVRZPVIDQMDUSK-UHFFFAOYSA-N 364.383 1.292 5 1 FDBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cncnc2[nH]1 587267454 ZEONULSSDNKKAC-JMCQJSRRSA-N 359.302 1.703 5 1 FDBF C[C@H](C(=O)O)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C(F)(F)F 27555966 FDOKVYNXRHHOSO-SSDOTTSWSA-N 356.278 1.720 5 1 FDBF COc1cccc2c(=O)c3c(O)cc4c(c3oc12)C[C@H]([C@@](C)(O)CO)O4 28474967 GQURDLOQVKSMMA-KUHUBIRLSA-N 358.346 1.707 5 1 FDBF COc1cc2ncnc(-n3[nH]c(-c4ccccn4)nc3=N)c2cc1[N+](=O)[O-] 653795239 JGBQASPUZZDPJJ-UHFFFAOYSA-N 364.325 1.602 5 1 FDBF NC(=O)CC[C@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C(=O)O 5939814 ZDIBLEUDVAOFJG-AWEZNQCLSA-N 367.361 1.130 5 1 FDBF CC(=O)N1N=C(Cn2c([N+](=O)[O-])cnc2C)O[C@@H]1c1ccc([N+](=O)[O-])cc1 1857554581 PNPVDHZHYXKZKZ-OAHLLOKOSA-N 374.313 1.899 5 1 FDBF CN1CCN(c2cc3c(cc2N)c(=O)c2c(O)cc(O)cc2n3C)CC1 26257992 SHKYUUQFWWIRID-UHFFFAOYSA-N 354.410 1.437 5 1 FDBF O=[N+]([O-])c1cc(-c2ccc3c(O)nc(O)nc3n2)ccc1N1CCOCC1 587552653 BHUDJHRVGYBQHE-UHFFFAOYSA-N 369.337 1.848 5 1 FDBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](NCc1ccc(OC(F)(F)F)c(O)c1)C2 72179821 PNXWPVXTBHTLMJ-VIFPVBQESA-N 374.275 1.946 5 1 FDBF O=C1NC(=O)C(c2ccc([N+](=O)[O-])cc2)=C1Nc1cccc(C(=O)O)c1 27713478 KWDUNZWJVOXLBA-UHFFFAOYSA-N 353.290 1.773 5 1 FDBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(N)ncc2[nH]1 587265448 FEMZUYLTGNWVNO-JKYUHCHBSA-N 373.329 1.891 5 1 FDBF CC(C)(O)[C@H]1Oc2c(O)cc3oc4cc(O)cc(O)c4c(=O)c3c2[C@H]1O 14514258 QJHHEMWYGFIDMW-WBVHZDCISA-N 360.318 1.628 5 1 FDBF biogenic CNC1=C([N+](=O)[O-])[C@@H](c2ccc(Br)cc2)N=C2N=CNN21 1911576308 LDHJGOQNUIHGGH-SECBINFHSA-N 351.164 1.374 5 1 FDBF COc1cc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2cn1 587272841 QJKRCDPFBROCCS-LBPRGKRZSA-N 370.369 1.773 5 1 FDBF CC(C)(O)[C@@H]1Oc2c(O)cc3oc4cc(O)cc(O)c4c(=O)c3c2[C@H]1O 14514255 QJHHEMWYGFIDMW-NVXWUHKLSA-N 360.318 1.628 5 1 FDBF biogenic O=C1Cc2nc3nc(O)nc(O)c3cc2[C@H](c2ccc([N+](=O)[O-])cc2)C1 587555057 NGJBUJUPACMYQL-NSHDSACASA-N 352.306 1.991 5 1 FDBF CO[C@H]1C=C[C@@]23c4cc5c(cc4C[N+](C)(C[C@@H]2OC(C)=O)[C@@H]3C1)OCO5 13604091 PAZUNHBDXHNMHY-YIFSMVBGSA-N 358.414 1.902 5 1 FDBF C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OCCN 82083184 OQRYZBQKBGDUNH-VIFPVBQESA-N 364.383 1.339 5 1 FDBF C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OCCN 82083185 OQRYZBQKBGDUNH-SECBINFHSA-N 364.383 1.339 5 1 FDBF C[N+]1(CC2CC2)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 100014304 QVVOZYKELHAIPX-WVHCHWADSA-N 358.458 1.843 5 1 FDBF in-man C[C@@H]1CN(C(=O)[C@@](C)(O)C(F)(F)F)CCN1c1cc([N+](=O)[O-])ccn1 13804084 WUSICTYENPMDNN-NOZJJQNGSA-N 362.308 1.340 5 1 FDBF C[C@@H](c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1)n1cc([N+](=O)[O-])cn1 587276125 JKEQKCMCDFWRCR-VIFPVBQESA-N 364.387 1.527 5 1 FDBF Cc1ncc([N+](=O)[O-])n1CCN(C)C(=O)CCCn1ccnc1[N+](=O)[O-] 12999170 FBMWWDHYRARXMS-UHFFFAOYSA-N 365.350 1.143 5 1 FDBF CSc1ccc(OCc2nc(S(=O)(=O)O)c([N+](=O)[O-])n2C)cc1 66078050 ZLMWVQWBPIPBIB-UHFFFAOYSA-N 359.385 1.876 5 1 FDBF O=C(Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)N1CCC(N2CCCC2)CC1 1857609806 HTYAVRPOZIMITI-UHFFFAOYSA-N 374.397 1.590 5 1 FDBF Cc1nc(CS(=O)(=O)c2ccc(F)cc2)c([N+](=O)[O-])n1C[C@H](C)O 40918152 BEYNALZRYUPPCR-VIFPVBQESA-N 357.363 1.594 5 1 FDBF COc1ccc2c(c1)CCN(S(N)(=O)=O)[C@H]2c1cccc([N+](=O)[O-])c1 73168840 IJYWXUCFDSNFDS-INIZCTEOSA-N 363.395 1.754 5 1 FDBF CCOC(=O)CCOCCCOCCc1nc2cncc([N+](=O)[O-])c2[nH]1 587567181 FWGWGRYXZFUBNQ-UHFFFAOYSA-N 366.374 1.785 5 1 FDBF C[N+]1(CC2CC2)[C@H]2C[C@H](OC(=O)[C@@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 100659845 QVVOZYKELHAIPX-NQNPYAFXSA-N 358.458 1.843 5 1 FDBF O=c1n([C@@H]2CS[C@H](CO)O2)ccc2nc(-c3ccc([N+](=O)[O-])cc3)cn12 26834271 PMFFMBDECZRFEU-LSDHHAIUSA-N 374.378 1.652 5 1 FDBF COc1cc2c3c(c1)O[C@](c1ccc([N+](=O)[O-])cc1)(C(O)O)[C@@H](C2)C3=O 587434642 XNXYKRKMUWNYGS-UGSOOPFHSA-N 357.318 1.557 5 1 FDBF CCS(=O)(=O)CCSc1nnc(-c2ncc([N+](=O)[O-])n2C)s1 29043821 WJZYJSDJJVZPRS-UHFFFAOYSA-N 363.446 1.374 5 1 FDBF COc1cccc2c(=O)c3c(O)cc4c(c3oc12)[C@@H]1OC[C@@](O)(CO)[C@H]1O4 14682359 CVWDBIOBFVCYRC-FHWLQOOXSA-N 372.329 1.216 5 1 FDBF biogenic NC(=O)c1ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2c1 587091992 KHQDESQIRWQCFR-UHFFFAOYSA-N 354.248 1.996 5 1 FDBF CN1CCC=C([C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CCO2)C1 40845854 DGXWZFPVRJNEBW-INIZCTEOSA-N 367.427 1.246 5 1 FDBF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 586945493 HBKBNUIMKJAOCI-UHFFFAOYSA-N 351.344 1.484 5 1 FDBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(S(C)(=O)=O)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587263387 MICGCSJIOQFTRM-ADEWGFFLSA-N 365.411 1.627 5 1 FDBF O=[N+]([O-])c1cn2c(n1)O[C@@H](CN1CCN(c3ccc(F)cc3)CC1)CC2 1772619484 PFDZYTDMOONCLM-OAHLLOKOSA-N 361.377 1.904 5 1 FDBF O=c1[nH]/c(=C\c2ccc([N+](=O)[O-])cc2)c(=O)[nH]/c1=C\c1ccc(Cl)cc1 28018399 MXUQYPLKRWOCEX-VULZFCBJSA-N 369.764 1.282 5 1 FDBF CO[C@H]1C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN2[C@]1(C)OC 103185938 XAYBFOISZSSFGO-DZGCQCFKSA-N 354.794 1.690 5 1 FDBF Cc1nc2ccccc2c(=O)n1CC(=O)NCc1ncc([N+](=O)[O-])s1 299828224 TXMMBVLHZUGVEO-UHFFFAOYSA-N 359.367 1.386 5 1 FDBF CNC(=O)CN1C(=O)CN=C(c2ccccc2)c2cc([N+](=O)[O-])ccc21 26577863 SVLQGKVFJJAZTC-UHFFFAOYSA-N 352.350 1.525 5 1 FDBF Cc1nn(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(=O)n1Cc1ccco1 103210404 CJWJBSYJMZUYGZ-UHFFFAOYSA-N 364.339 1.140 5 1 FDBF C[C@@H]1C[C@]2(C)CC(=O)O[C@@H]3CC[N+]4([O-])CC[C@H](COC(=O)[C@]1(C)O2)[C@H]34 238763464 MUWGFENKHGSRKH-ASUAAZIMSA-N 353.415 1.526 5 1 FDBF O=c1[nH]n(Cc2cc[n+]([O-])cc2)c(=O)c2c(O)c3ccc(Cl)cc3nc12 13553708 AWDZXNIXNXYQDH-UHFFFAOYSA-N 370.752 1.279 5 1 FDBF CNS(=O)(=O)N1CCC(c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)CC1 586955823 NQBCBFNCGVIRLU-UHFFFAOYSA-N 353.404 1.423 5 1 FDBF C[C@H](C(=O)O)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)C(F)(F)F 26378877 DMGJZALHACJGRU-SSDOTTSWSA-N 356.278 1.720 5 1 FDBF COC1(OC)C[C@]23CCC[N+]2([O-])CCc2cc4c(cc2[C@@H]3[C@H]1O)OCO4 238783721 RYPNMHJSAPCVFD-FFELKDMISA-N 363.410 1.656 5 1 FDBF COC(=O)c1ccnc2[nH]c(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)nc12 587268788 AAQXCBOWFKUDED-UHFFFAOYSA-N 365.309 1.900 5 1 FDBF COc1ccc2c(c1)CCN(S(N)(=O)=O)[C@@H]2c1ccc([N+](=O)[O-])cc1 73166948 NYMFGLSRLFYOTE-MRXNPFEDSA-N 363.395 1.754 5 1 FDBF O=c1ccccn1[C@@H]1c2cc([N+](=O)[O-])ccc2OC(CF)(CF)[C@H]1O 26740574 UKCOFNXXWOUQAB-CABCVRRESA-N 352.293 1.777 5 1 FDBF O=[P@@]1(N2CC[N+]3(CCN(Cc4ccccc4)CC3)CC2)NCCCO1 40567093 GNEGDAAGTVXRPM-VWLOTQADSA-N 365.438 1.753 5 1 FDBF COC(=O)c1ccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2n1 587266105 ZQRXWISOMGUNQV-VIFPVBQESA-N 357.326 1.601 5 1 FDBF O=[N+]([O-])c1ncn(CCCNS(=O)(=O)c2cccc3cccnc23)n1 84605545 XWIJMVBVQXIKGN-UHFFFAOYSA-N 362.371 1.103 5 1 FDBF CCOC(=O)Cn1c(=O)c(O)nc2cc([N+](=O)[O-])c(-n3cccc3)cc21 26723641 VDANXPIDTAUECL-UHFFFAOYSA-N 358.310 1.364 5 1 FDBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3c(O)nc(S)nc3[nH]2)cc1 586919923 AQWFWWWAZNUAFM-UHFFFAOYSA-N 367.368 1.229 5 1 FDBF CCOC(=O)C1=C(N)OC(C)=C(C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1 96272046 YLGPYAGLYBTIEU-CYBMUJFWSA-N 362.338 1.889 5 1 FDBF O=C(CSC(=S)N[C@H]1CCOC1=O)Nc1cccc([N+](=O)[O-])c1 96929096 AXZHGJBJVDVEQL-JTQLQIEISA-N 355.397 1.457 5 1 FDBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccnc(N)c2[nH]1 587267105 UAZAFSMSFCWQJR-KRTXAFLBSA-N 373.329 1.891 5 1 FDBF N[C@@]1(CO)CCc2cc(-c3nc(-c4ccnc([N+](=O)[O-])c4)no3)ccc2C1 1772584176 UXWHIQXQKOELNU-SFHVURJKSA-N 367.365 1.885 5 1 FDBF Cc1ncc([N+](=O)[O-])n1CC[N+](C)([O-])CCCCn1ccnc1[N+](=O)[O-] 34172562 CQNLNQRXIOPBLX-UHFFFAOYSA-N 367.366 1.629 5 1 FDBF C[C@@H]1CC(=O)[C@@H](Cc2nc3c(S)nc(S)nc3[nH]2)[C@@H]1C[N+](=O)[O-] 587261929 FDAZRLONBNBWCE-DSYKOEDSSA-N 353.429 1.591 5 1 FDBF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 586960516 ZAJLXEZWBZMBRY-AWEZNQCLSA-N 363.355 1.335 5 1 FDBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cnncc2[nH]1 587264949 AWWYGGHDNNQBJD-WPPNPWJKSA-N 359.302 1.703 5 1 FDBF CCOC(=O)[C@H](C(=O)O[C@H]1C[C@H]2[C@@H]3O[C@@H]3[C@@H](C1)[N+]2(C)C)c1ccccc1 103231435 LIZALLLKCNKGDD-PNVOZDDCSA-N 360.430 1.634 5 1 FDBF O=C(Oc1ccc(C[C@H]2NC(=S)NC2=O)cc1)c1ccc([N+](=O)[O-])cc1 103199769 MOVNAXLBEMWACZ-CQSZACIVSA-N 371.374 1.729 5 1 FDBF Cc1cnc2[nH]c([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc2c1 587273943 WZMHTJNDPZUXMJ-STQMWFEESA-N 357.326 1.208 5 1 FDBF Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@H](N)Cc1c[nH]c2ccccc12 1857774531 HCACGGJGUKHDSG-CQSZACIVSA-N 357.370 1.694 5 1 FDBF O=C(NCCNC[C@@H](O)COc1ccccc1[N+](=O)[O-])Nc1ccccc1 28755080 KLOCJTPNHVJRDS-OAHLLOKOSA-N 374.397 1.746 5 1 FDBF BN1CC[C@H](c2ccc(S(=O)(=O)[C@H]3C=CC([N+](=O)[O-])=CC3)cc2C)C1 2356822618 FXIBWASRESHULJ-ZFWWWQNUSA-N 360.244 1.595 5 1 FDBF NS(=O)(=O)c1cccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c12 587159219 NDAXCJKBWUWBGQ-UHFFFAOYSA-N 366.330 1.837 5 1 FDBF CS(=O)(=O)c1cc(-c2nc3cnnc(O)c3[nH]2)cc([N+](=O)[O-])c1Cl 586926950 QVAOYCOPIXCNOK-UHFFFAOYSA-N 369.746 1.691 5 1 FDBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587261913 DYPMYWKURNNZLG-IEBDPFPHSA-N 367.383 1.470 5 1 FDBF CC1=C(C(=O)OC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)N(C(N)=O)C(=O)N1 597506 JTILQSIVPVPOTG-ZDUSSCGKSA-N 362.342 1.965 5 1 FDBF CN(C)C(=O)N(CCCN1CCOCC1)Cc1ccc([N+](=O)[O-])cc1 40915694 GLYFEYFNBCEVTC-UHFFFAOYSA-N 350.419 1.801 5 1 FDBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(-n4cnnn4)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587263737 OCDHPVOEYWETPW-JLLWLGSASA-N 355.358 1.199 5 1 FDBF N[C@@H](CCc1nc2ccc(CO)cc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587270029 HVSVOTJJMNUKRA-AWEZNQCLSA-N 369.381 1.862 5 1 FDBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cnncc2[nH]1 587264946 AWWYGGHDNNQBJD-UHLUBPPHSA-N 359.302 1.703 5 1 FDBF C[N+]1(CC2CC2)[C@@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]12 100523871 QVVOZYKELHAIPX-LJCYIWGRSA-N 358.458 1.843 5 1 FDBF in-man CN1CCC=C([C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CCO2)C1 40845856 DGXWZFPVRJNEBW-MRXNPFEDSA-N 367.427 1.246 5 1 FDBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(N)ncc2[nH]1 587265451 FEMZUYLTGNWVNO-UOWDBTKRSA-N 373.329 1.891 5 1 FDBF COc1cc([N+](=O)[O-])ccc1C(=O)NC(=O)NC1C[C@H]2CC[C@H](C1)N2C 100789887 DGPKPILUPYJPQP-VXGBXAGGSA-N 362.386 1.668 5 1 FDBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(N)ccnc2[nH]1 587265865 HSCNGMNHNQQFLE-JMCQJSRRSA-N 373.329 1.891 5 1 FDBF NCCN(CCN)CCNC(=O)c1c2ccccc2nc2ccccc12 22877200 FCQOWNOYUGXXHE-UHFFFAOYSA-N 351.454 1.337 5 1 FDBF O=C(Oc1ccc(C[C@@H]2NC(=S)NC2=O)cc1)c1ccc([N+](=O)[O-])cc1 103199772 MOVNAXLBEMWACZ-AWEZNQCLSA-N 371.374 1.729 5 1 FDBF Cn1nccc1CS(=O)(=O)Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 586921783 MQLNYDRCYSBVAR-UHFFFAOYSA-N 369.790 1.973 5 1 FDBF Cc1nc(NC2CCS(=O)(=O)CC2)nc(-n2ccnc2C)c1[N+](=O)[O-] 28821470 FCEJYSFZBHYATN-UHFFFAOYSA-N 366.403 1.176 5 1 FDBF COc1cc2c(c3oc4c(O)cccc4c(=O)c13)C[C@H]([C@@]1(CO)CO1)O2 5767592 IRUAVZYYGCAGAL-AUUYWEPGSA-N 356.330 1.725 5 1 FDBF biogenic O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 35323200 AGTXHHZRNMTLHL-VWLPUNTISA-N 353.334 1.293 5 1 FDBF CCOC(=O)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]2C(=O)NN=C2C[C@@]1(C)O 195473105 PGLOJNOMLZJZLP-ZOMKSWQUSA-N 361.354 1.114 5 1 FDBF CN1N=C(O[C@@H]2c3cc([N+](=O)[O-])ccc3OC(C)(C)[C@@H]2O)[C@@H]2C[C@H]2C1=O 253647153 PYPSJNAGDYFJCQ-DMTCVQMQSA-N 361.354 1.606 5 1 FDBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(S(C)(=O)=O)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587263390 MICGCSJIOQFTRM-USWWRNFRSA-N 365.411 1.627 5 1 FDBF C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 586939686 RHOBIGSMHFTZAR-MRVPVSSYSA-N 350.360 1.244 5 1 FDBF CS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Oc1cccc([N+](=O)[O-])c1 169335759 SNNXHKVSRRFDAY-HNNXBMFYSA-N 364.379 1.661 5 1 FDBF COC(=O)C1=Cc2cc(OC)cc([N+](=O)[O-])c2O[C@H]1N1CCOCC1 19904344 YAJGXCVTOWPFGL-OAHLLOKOSA-N 350.327 1.211 5 3 FDBF CNC(=O)C[C@H]1CCOC2(CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)C1 1857561583 IANWFWQKQKIHDO-GFCCVEGCSA-N 365.386 1.725 5 1 FDBF N=c1[nH]cc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nc-2[nH]1 587269396 BSRAOMJCVUFODX-UHFFFAOYSA-N 367.369 1.645 5 1 FDBF COC(=O)[C@@]1(O)C[C@@]23C=CC[N+]4(O)CC[C@@]5(c6ccccc6N[C@]15[C@H]2C)[C@H]34 85508799 LUSLJLUOBDAHOP-NWMARJRKSA-N 369.441 1.581 5 1 FDBF biogenic,in-vitro Nc1ncnc2c1c(-c1ccc([N+](=O)[O-])cc1)cn2[C@@H]1O[C@H](CO)C[C@H]1O 1857565687 OPTDOHUPPJGRER-XTQGRXLLSA-N 371.353 1.229 5 1 FDBF C[C@H](NC(=O)CCC[P@@](=O)(O)Oc1ccc([N+](=O)[O-])cc1)C(=O)O 6486903 KBXXIYHMPQZHCH-VIFPVBQESA-N 360.259 1.529 5 1 FDBF in-vivo BN1CC[C@@H](c2ccc(S(=O)(=O)[C@@H]3C=CC([N+](=O)[O-])=CC3)cc2C)C1 2356822617 FXIBWASRESHULJ-UKRRQHHQSA-N 360.244 1.595 5 1 FDBF NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 84669528 YSKYPWKIZVHERB-UHFFFAOYSA-N 352.328 1.821 5 1 FDBF C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc(C[N+]4(C)CCCC4)cc3)C[C@H]12 3924993 ZYFJETUUECMBDJ-FSPWUOQZSA-O 371.457 1.834 5 1 FDBF CCN1CCN(C2=C(Cl)C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)CC1 64474593 XNLCISMHHOSRBF-UHFFFAOYSA-N 364.789 1.556 5 1 FDBF CC1CCC(NS(=O)(=O)Cc2nc3cncc([N+](=O)[O-])c3[nH]2)CC1 586952222 DWRLGSRLUZIGNM-UHFFFAOYSA-N 353.404 1.864 5 1 FDBF COc1cc(CC(=O)NC(=N)NCc2ccccc2)c([N+](=O)[O-])cc1OC 299830044 NRIMVUSXUYIQPB-UHFFFAOYSA-N 372.381 1.995 5 1 FDBF CC(=O)Nc1cc2c(cc1[N+](=O)[O-])[C@@H](N1CCCC1=O)[C@H](O)C(C)(C)O2 26280106 HQEYETAMRKWHPZ-CVEARBPZSA-N 363.370 1.749 5 1 FDBF CC=C(C)C(=O)OC[C@]1(O)CC[N@+]2(C)CC[C@H](OC(=O)C(C)=CC)[C@H]12 2356322636 USPGRLYCAWSETE-FIYPYCPBSA-N 352.451 1.728 5 1 FDBF CN1C(C(=O)NCCCC[N+](C)(C)C)=C(O)c2ccccc2S1(=O)=O 102036508 NCLMCOWOXNQYEN-UHFFFAOYSA-O 368.479 1.150 5 1 FDBF COc1c(OC)c2oc(=O)c3cc(O)c(OC)c4oc(=O)c(c1O)c2c43 15216480 BLICLJSLKJVPKA-UHFFFAOYSA-N 360.274 1.927 5 1 FDBF biogenic COC(=O)C1=C2Nc3ccccc3[C@@]23CC[N+]2([O-])C[C@H]([C@@H](C)O)[C@@H]1C[C@@H]32 15149231 WSBPZWLQDOELJZ-OQFJYQQISA-N 356.422 1.894 5 1 FDBF CCN(C)c1ncc(C(=O)NCCOC)c(-c2ccc([N+](=O)[O-])cc2)n1 82150118 AKPAYNSWCBKBRL-UHFFFAOYSA-N 359.386 1.884 5 1 FDBF C[N@@+]12CCc3c([nH]c4ccccc34)[C@](CO)(C(=O)O)[C@@H](CC1)/C(=C\CO)C2 473172880 ZZIYKUWKZXWSRM-ZQXOILIQSA-O 371.457 1.424 5 1 FDBF CCN(C)c1ncc(C(=O)NCCOC)c(-c2cccc([N+](=O)[O-])c2)n1 82136144 ZRRRQBBZFQTMIT-UHFFFAOYSA-N 359.386 1.884 5 1 FDBF O=C(O)[C@H]1C(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)[C@@H]1C(=O)O 587970641 LZIDCRJRTPFPMT-YUMQZZPRSA-N 370.115 1.732 5 1 FDBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587274938 XFRMLOLOWNPRIJ-MRVPVSSYSA-N 351.344 1.718 5 1 FDBF COC(=O)c1ccccc1S(=O)(=O)CCn1c([N+](=O)[O-])cnc1C 84669552 XHDHWNWEQYBFSZ-UHFFFAOYSA-N 353.356 1.360 5 1 FDBF CN1N=C(O[C@@H]2c3ccc([N+](=O)[O-])cc3OC(C)(C)[C@H]2O)[C@@H]2C[C@@H]2C1=O 27442366 AHVNKDIUGVPJEP-WVWOOGAGSA-N 361.354 1.606 5 1 FDBF O=C(COC(=O)Cc1ccc([N+](=O)[O-])cc1)NCc1ccc2c(c1)OCO2 3338572 BAFOUFGCLYTNIH-UHFFFAOYSA-N 372.333 1.726 5 3 FDBF COC(=O)[C@H](NC(=O)[C@@H]1O[C@@H]1COc1ccc([N+](=O)[O-])cc1)C(C)C 26723954 XMOADVOSZYERKM-MGPQQGTHSA-N 352.343 1.055 5 1 FDBF COc1cccc2c(=O)c3c(O)cc4c(c3oc12)[C@@H]1OC[C@](O)(CO)[C@@H]1O4 28477345 CVWDBIOBFVCYRC-IPMKNSEASA-N 372.329 1.216 5 1 FDBF biogenic NCCCCNC[C@@H](O)COc1cc(O)c2c(=O)c3ccccc3oc2c1 1772630263 KWCAMNNKHWGVDW-CYBMUJFWSA-N 372.421 1.720 5 1 FDBF COc1ccc(Cn2cc(CNC(=O)c3ccc([N+](=O)[O-])o3)nn2)cc1 103247636 SUAOUVBCUKNEOY-UHFFFAOYSA-N 357.326 1.766 5 1 FDBF O=C(c1cccn2c(=O)c3ccccc3nc12)N1CCC2(CC1)OCCO2 2957274 JJCUKKLIDHDBEB-UHFFFAOYSA-N 365.389 1.827 5 3 FDBF COc1cc(N2C(=O)[C@H](O)[C@@H]2c2ccc([N+](=O)[O-])o2)cc(OC)c1OC 26163985 JBOKIFBCJUXOEW-UONOGXRCSA-N 364.310 1.662 5 1 FDBF CC(=O)N1N=C(Cn2c([N+](=O)[O-])cnc2C)O[C@H]1c1ccc2c(c1)OCO2 1857541401 VFBVUWYRIOGMBN-INIZCTEOSA-N 373.325 1.719 5 1 FDBF COc1cc(=O)cc2c([C@@H]3CC(=O)NC3=O)c3oc(C)cc(O)c3c(O)c12 2356344114 ZVZWZNGQYMVVRW-JTQLQIEISA-N 369.329 1.805 5 1 FDBF O=C(NCc1ccccc1)c1c(O)n(O)c(=O)c2cc([N+](=O)[O-])ccc12 169349208 FRXSLEMPODHQLS-UHFFFAOYSA-N 355.306 1.783 5 1 FDBF COc1cc(COC(=O)N2CC=C[C@@H]2C(=O)O)c([N+](=O)[O-])cc1OC 1634809 YWAOMLOXXUULMD-SNVBAGLBSA-N 352.299 1.574 5 1 FDBF NC(=O)CCn1c(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2[n+]1[O-] 15924920 WWGLGPKEOMZMNA-UHFFFAOYSA-N 354.322 1.289 5 3 FDBF O=c1[nH]c2c([N+](=O)[O-])cccc2n2c(=O)n(-c3ccc([N+](=O)[O-])cc3)nc12 13580745 QXWJVWVXPIOWBX-UHFFFAOYSA-N 368.265 1.143 5 1 FDBF O=[N+]([O-])c1cn2c(n1)[S@](=O)C[C@@H](Oc1ccc(C(F)(F)F)cn1)C2 1857640140 HXZVNSUGOPEYMQ-OYWLMSRLSA-N 362.289 1.774 5 1 FDBF CC(=O)[C@H]1C(=O)c2cccc([N+](=O)[O-])c2[C@@]12c1nn(C)cc1CCN2C 963955942 TZDHFWNIFRVBSX-KBXCAEBGSA-N 354.366 1.461 5 1 FDBF C[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OCCN 82083452 OUOUSZHCFXVPJV-SECBINFHSA-N 364.383 1.339 5 1 FDBF O=C1OC[C@H](C(=O)NCc2ccccc2)N[C@H]1Cc1ccc([N+](=O)[O-])cc1 40567206 LIRLGPFNGSYNTC-DLBZAZTESA-N 369.377 1.337 5 1 FDBF NC(=O)c1cc(N2CCC(c3nc4cnncc4[nH]3)CC2)ccc1[N+](=O)[O-] 587263636 XTBXXWQMAPUADE-UHFFFAOYSA-N 367.369 1.744 5 1 FDBF CC(=O)Nc1cc2c(cc1[N+](=O)[O-])[C@H](N1CCCC1=O)[C@H](O)C(C)(C)O2 26280101 HQEYETAMRKWHPZ-HOTGVXAUSA-N 363.370 1.749 5 1 FDBF COc1ccc([C@H]2OC(Cn3c([N+](=O)[O-])cnc3C)=NN2C(C)=O)cc1 96929455 OAOBEBARUZJCID-MRXNPFEDSA-N 359.342 1.999 5 1 FDBF Cc1[nH]nc(O)c1[C@@H](c1cccc([N+](=O)[O-])c1)c1c(O)nc(O)nc1O 653758634 HHUBIUZBJQWLSI-SNVBAGLBSA-N 359.298 1.419 5 1 FDBF COc1cc2c(=O)oc3c(O)c(OC)c(OC)c4c(=O)oc(c1O)c2c34 238783064 FWVFILVRVDATBK-UHFFFAOYSA-N 360.274 1.927 5 1 FDBF N[C@@H](C(=O)NCCc1ccccc1Cl)[C@@H](O)c1ccc([N+](=O)[O-])cc1 40973692 CMSJYWHYKTZZTN-CVEARBPZSA-N 363.801 1.968 5 1 FDBF C[C@@H]1C[C@]2(C)CC(=O)O[C@@H]3CC[N+]4([O-])CC=C(COC(=O)[C@@]1(C)O2)[C@H]34 238761623 FYYMGMWFZHHKJU-CJZOEORPSA-N 351.399 1.446 5 1 FDBF O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587970639 LZIDCRJRTPFPMT-RNLVFQAGSA-N 370.115 1.732 5 1 FDBF CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1coc2c([N+](=O)[O-])cccc2c1=O 71341542 LGJWMOKLTZJWBF-ZDUSSCGKSA-N 373.321 1.892 5 1 FDBF Cc1cc2[nH]c([C@H](C)NS(=O)(=O)c3cnn(C)c3)nc2cc1[N+](=O)[O-] 586939680 RATUXHLYLKFJEW-VIFPVBQESA-N 364.387 1.553 5 1 FDBF O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 58492046 AGTXHHZRNMTLHL-LEYGVYNDSA-N 353.334 1.293 5 1 FDBF CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587256906 UTECAWZBJOOLNH-MRVPVSSYSA-N 365.346 1.981 5 1 FDBF COc1cc(Cn2cc(CNC(=O)c3ccc([N+](=O)[O-])o3)nn2)ccc1O 103247621 WTYXFVJKJKXQKG-UHFFFAOYSA-N 373.325 1.472 5 1 FDBF CCOC(=O)CCOCCCOCCc1nc2cc([N+](=O)[O-])cnc2[nH]1 587567335 GNLIDANNWLMGPG-UHFFFAOYSA-N 366.374 1.785 5 1 FDBF COC(=O)[C@H]1C2=Nc3c(O)cccc3[C@]23CC[N+]2([O-])C[C@H](C(C)=O)[C@H]1C[C@H]32 169723802 CTKRJFAGLPBIOI-OCXXTMCESA-N 370.405 1.831 5 1 FDBF Cn1nc(C(N)=O)c2c1-c1nc(Nc3cccc([N+](=O)[O-])c3)ncc1CC2 49071903 PWURWOZBUAQZAZ-UHFFFAOYSA-N 365.353 1.726 5 1 FDBF O=C1NC(=O)N(c2ccccc2)C(=O)[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 1772617724 PJCADYZTBZDOQZ-CYBMUJFWSA-N 368.305 1.433 5 1 FDBF NC(=O)NCCC[C@H](N)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587260515 YBHYQYKREWUAQD-ZETCQYMHSA-N 371.195 1.682 5 1 FDBF COc1ccc(Cn2cc(CNC(=O)c3ccc([N+](=O)[O-])o3)nn2)cc1O 103247616 ZGTNFEWBHGLPOW-UHFFFAOYSA-N 373.325 1.472 5 1 FDBF CN1N=C(O[C@H]2c3cc([N+](=O)[O-])ccc3OC(C)(C)[C@H]2O)[C@@H]2C[C@@H]2C1=O 27437983 PYPSJNAGDYFJCQ-OAACRXHESA-N 361.354 1.606 5 1 FDBF COc1cc(OCc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)ccc1[N+](=O)[O-] 587263694 YYVILJBFMDPLLQ-UHFFFAOYSA-N 350.722 1.866 5 1 FDBF CCOC(=O)CCn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3cccc3)cc21 26742803 BFCJALACKFNSEN-UHFFFAOYSA-N 372.337 1.342 5 1 FDBF Cc1nc(NS(C)(=O)=O)sc1-c1nc2cncc([N+](=O)[O-])c2[nH]1 586951151 JDRUCQAOWIJDSV-UHFFFAOYSA-N 354.373 1.670 5 1 FDBF N[C@@H](Cc1nc2cc3ccccc3cc2nc1CP(=O)(O)O)C(=O)O 1533937 CAKPNNQRUWQOND-NSHDSACASA-N 361.294 1.415 5 1 FDBF O=C(Cc1ccc2c(O)nc(O)nc2n1)OCc1ccc([N+](=O)[O-])cc1 587556780 ZYCAPKWEVUYBTL-UHFFFAOYSA-N 356.294 1.630 5 1 FDBF C[C@@H](c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587275218 AEYXFRDXWQABNN-VIFPVBQESA-N 364.387 1.527 5 1 FDBF O=C(N[C@@H]1COc2nc([N+](=O)[O-])cn2C1)c1ccccc1OC(F)(F)F 82153844 DRTLOASVNGAYMK-QMMMGPOBSA-N 372.259 1.881 5 1 FDBF COC(=O)c1c([S@@](C)=O)ccc2oc3cc(CO)cc(O)c3c(=O)c12 2356716897 AYCYZLASDOHFHP-RUZDIDTESA-N 362.359 1.668 5 1 FDBF Cc1[nH]nc(O)c1[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(O)nc(O)nc1O 653758660 ONPIJIOAUWWCEX-SNVBAGLBSA-N 359.298 1.419 5 1 FDBF C[C@@H]1CN(C2=C(Cl)C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CCN1 64669607 LPRSHQMQHDBICG-SECBINFHSA-N 350.762 1.212 5 1 FDBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cccc(S(N)(=O)=O)c2[nH]1 587268359 SXDAFJGWMUPZSS-UHFFFAOYSA-N 364.387 1.487 5 1 FDBF CC(C)n1c(=O)n(C(=O)NCCN2CC[N+](C)(C)CC2)c2ccccc21 13799450 LQGRULCDHIFVIG-UHFFFAOYSA-O 360.482 1.334 5 1 FDBF O=C(O)c1ccccc1NCc1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12 1545793 XYKIQTWQIBHWCG-UHFFFAOYSA-N 356.294 1.435 5 1 FDBF COc1cc[nH]c1/C=C1\C(=O)Nc2ccc([N+](=O)[O-])c(N3CC[C@H](O)C3)c21 13478402 AIDMUEJGKCTNDD-DFYQSJSGSA-N 370.365 1.995 5 1 FDBF Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587274988 YSRILCLWQULTSH-UHFFFAOYSA-N 355.402 1.776 5 1 FDBF C[C@@H]1CC(=O)[C@@H](Cc2nc3nc(Br)c[nH]c-3n2)[C@@H]1C[N+](=O)[O-] 587263764 OHBCMXBMNLPXQA-GJMOJQLCSA-N 368.191 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