smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC[C@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1)C(N)=O 3850895 RLOSQKJFJKAJEA-LBPRGKRZSA-N 265.269 0.979 5 40 CCBB Cc1ccc(NC(=O)C[C@H]2NCCNC2=O)cc1[N+](=O)[O-] 17022828 VIPSDAYBKUQYIM-SNVBAGLBSA-N 292.295 0.320 5 40 CCBB CCCCCn1c([N+](=O)[O-])nc2c1c(=O)[nH]c(=O)n2C 1839630 WDXNVWIBWQNBGU-UHFFFAOYSA-N 281.272 0.522 5 40 CCBB O=[N+]([O-])c1ccc(NC(CO)CO)c2ncccc12 75146181 LMZUGZRGYGDLKV-UHFFFAOYSA-N 263.253 0.908 5 40 CCBB O=C(O)[C@H]1C[C@H](O)CN1c1nc(Cl)ccc1[N+](=O)[O-] 4106411 OKJUDFAWKRSCKE-CAHLUQPWSA-N 287.659 0.667 5 40 CCBB Nc1nc(N2CCCCCC2)nc(NCCO)c1[N+](=O)[O-] 4306238 XVOCSLCSCFRPIG-UHFFFAOYSA-N 296.331 0.752 5 40 CCBB NC(=O)[C@@H]1CCCN1CCOc1ccc([N+](=O)[O-])cc1 65222940 DNUJHROLQOWITD-LBPRGKRZSA-N 279.296 0.923 5 40 CCBB O=c1[nH]c(/C=C/c2cccnc2)nc(O)c1[N+](=O)[O-] 9235082 DGUKINSFYXIMIL-ONEGZZNKSA-N 260.209 0.949 5 40 CCBB COCCn1c(=O)c2ccc3[nH]c(=O)c4ccc(c1=O)c2c34 5553797 AVWRVYINDCTNPC-UHFFFAOYSA-N 296.282 0.878 5 40 CCBB O=[N+]([O-])c1ccc(Cl)c(OCCN(CO)CO)c1 5568340 LJRUCVXOTGNFGC-UHFFFAOYSA-N 276.676 0.829 5 40 CCBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCO 5234080 PPOLVIMYSMIWCR-UHFFFAOYSA-N 260.271 0.174 5 40 CCBB NC(=O)c1ccc(CN2CCC[C@@H](O)C2)c([N+](=O)[O-])c1 27343815 YDGSHSJIGNYKKO-LLVKDONJSA-N 279.296 0.650 5 40 CCBB NC(=O)[C@@H]1COCCN1c1ccc(Cl)cc1[N+](=O)[O-] 225560739 VCLXZSLFWOIEBC-JTQLQIEISA-N 285.687 0.939 5 40 CCBB C[C@H](O)C[N@+]1(C)C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 252463034 YHYFKNRSINQAGF-SFDCBXKLSA-N 263.361 0.793 5 40 CCBB biogenic COCCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] 35098384 PMJWXLFGZLTMEI-UHFFFAOYSA-N 264.241 0.890 5 40 CCBB in-vitro O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CCCN1 53254440 KXQKWDLWJHHDOM-SECBINFHSA-N 285.325 0.625 5 40 CCBB C[C@@H]1[C@]2([N+](=O)[O-])C=C[C@@H](C)[C@]1([N+](=O)[O-])CN(C)C2 100143324 ODIZRZKFOUMOQL-CHWFTXMASA-N 255.274 0.805 5 40 CCBB Nc1nc(N)c2nc(-c3ccc([N+](=O)[O-])cc3)c(=O)[nH]c2n1 1591190 HYFMARFNJGLRAR-UHFFFAOYSA-N 299.250 0.453 5 40 CCBB COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccccc1[N+](=O)[O-] 34457222 DXARQEVHEWQXDO-PWSUYJOCSA-N 280.280 0.703 5 40 CCBB O=c1[nH]c2cc([N+](=O)[O-])c(S(=O)(=O)O)cc2[nH]1 3079546 GNXNMBLSWRTQQA-UHFFFAOYSA-N 259.199 0.011 5 40 CCBB CCN1CCO[C@H](C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C1 96012020 IMRHDTAWIBVZHY-LBPRGKRZSA-N 295.295 0.960 5 40 CCBB Cn1nc([N+](=O)[O-])nc1S(=O)(=O)c1ccccc1 19828170 NQMYDGNBEGTWPS-UHFFFAOYSA-N 268.254 0.556 5 40 CCBB COc1cc(CNC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])ccc1O 48573281 FWSPRECRTUCXEN-BDAKNGLRSA-N 266.253 0.682 5 40 CCBB CCOC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])c(N)n1 19419596 GENQDURLJPHIAX-LURJTMIESA-N 255.230 0.902 5 40 CCBB C[N+](C)(C)CCCOC(=O)[C@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 104184262 KGVAXSKIRIKILG-WJTVCTBASA-N 282.360 0.824 5 40 CCBB CCN1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 58194181 ZYMSYUDLBXPAEH-UHFFFAOYSA-N 252.278 0.109 5 40 CCBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(=O)[nH]n1 5251634 YFHWGZGHOJBPKB-UHFFFAOYSA-N 290.235 0.939 5 40 CCBB Cc1c([N+](=O)[O-])/c(=N/O)c2c(O)c([N+](=O)[O-])coc-2[n+]1[O-] 104211998 UZBITJQEJYBSSU-UXBLZVDNSA-N 298.167 0.138 5 40 CCBB O=[N+]([O-])c1cnccc1N1C[C@H](N2CCCC2)[C@H](O)C1 71922360 MJJZMGCKJVDONT-QWHCGFSZSA-N 278.312 0.635 5 40 CCBB O=[N+]([O-])c1ccc2c(ccn2[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)c1 4601253 MNXWZTJAKNRWBN-LPWJVIDDSA-N 294.263 0.161 5 40 CCBB CC(=O)NCCNc1nc2sccn2c1[N+](=O)[O-] 8319129 DMSOFXBLCKWWPC-UHFFFAOYSA-N 269.286 0.852 5 40 CCBB C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1 86468464 BHSAAKDZSMOFQQ-UWVGGRQHSA-N 299.352 0.966 5 40 CCBB O=C1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCN1 12742905 FJZNWUGJYDTUAA-UHFFFAOYSA-N 283.671 0.820 5 40 CCBB O=[N+]([O-])c1cccnc1N1CCN(CCO)CC1 19735944 SQZXOFMVKVJHBQ-UHFFFAOYSA-N 252.274 0.104 5 40 CCBB Cc1ccc(N[C@H]2C[C@H](O)[C@@H](CO)O2)cc1[N+](=O)[O-] 3999179 MBXAQKREJCGGLD-QJPTWQEYSA-N 268.269 0.783 5 40 CCBB biogenic CCN(CC(N)=O)C(=O)c1ccc([N+](=O)[O-])cc1C 189674345 HOWDVRCRSPDAMB-UHFFFAOYSA-N 265.269 0.851 5 40 CCBB O=[N+]([O-])[C@H]1C[C@@H](O)[C@@H](O)C[C@@H]1c1ccc2c(c1)OCO2 5048530 KTOWEJLNNWWOAT-VPOLOUISSA-N 281.264 0.660 5 40 CCBB CCS(=O)(=O)c1ccc(N2CCNCC2)c([N+](=O)[O-])c1 15443631 HVFQLLOLGPDWPX-UHFFFAOYSA-N 299.352 0.798 5 40 CCBB C[C@@H](O)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 35188563 SOWYXJCZWRSUES-ZCFIWIBFSA-N 294.716 0.907 5 40 CCBB CCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1nnn[nH]1 95170458 VMRNWKZQVAWLJL-LURJTMIESA-N 280.244 0.972 5 40 CCBB CN(C)c1nc(N)c([N+](=O)[O-])c(N2CCCC2)n1 5164313 MCNMIADPKPKWHF-UHFFFAOYSA-N 252.278 0.633 5 40 CCBB Cn1cc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1 6828220 DVYWYIYVKCLPCV-UHFFFAOYSA-N 296.308 0.807 5 40 CCBB CCN1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 27270585 IPXFSXYKFQMSFD-UHFFFAOYSA-N 292.339 0.831 5 40 CCBB O=C(NN1C(=O)CCC1=O)c1ccc([N+](=O)[O-])cc1 13856497 AZUFDXOJLIHKMC-UHFFFAOYSA-N 263.209 0.389 5 40 CCBB O=[N+]([O-])c1ccc([C@@H](Nn2cnnc2)P(=O)(O)O)cc1 16401192 UDJOQBAQGVAKHG-VIFPVBQESA-N 299.183 0.606 5 40 CCBB Cc1nn(C)cc1NC(=O)c1nn(C)cc1[N+](=O)[O-] 355129 BCQZTRSEJXZJKY-UHFFFAOYSA-N 264.245 0.623 5 40 CCBB O=C(O)c1cc(N2CCOCC2)c([N+](=O)[O-])cc1C(=O)O 4182532 VIWDRQPVRLNBCT-UHFFFAOYSA-N 296.235 0.828 5 40 CCBB C[C@@H](CO)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 35611172 FDFFWQKRBIFMNE-ZETCQYMHSA-N 260.271 0.254 5 40 CCBB NC(=O)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 18217957 BPQPTXRLVFYMEP-UHFFFAOYSA-N 250.258 0.692 5 40 CCBB O=C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 268166 VUTYNXOUPQBTJJ-UHFFFAOYSA-N 284.293 0.948 5 40 CCBB O=[N+]([O-])c1ccc(N[C@H]2CS(=O)(=O)C[C@H]2O)cc1 5616429 JALRHJXFOPEOCR-VHSXEESVSA-N 272.282 0.165 5 40 CCBB CN(C)CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 20452230 YBNYZUAUOSLDSZ-UHFFFAOYSA-N 287.341 0.576 5 40 CCBB CCNC(=O)[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]1 9954881 BXPAEMGEIUSRBY-LURJTMIESA-N 254.246 0.177 5 40 CCBB CCN(CC(N)=O)C(=O)Cc1cccc([N+](=O)[O-])c1C 189695231 QKTZFKMJNBUNQY-UHFFFAOYSA-N 279.296 0.780 5 40 CCBB O=C(OCCn1ncnn1)c1ccc([N+](=O)[O-])cc1 1577914 CMRUNQLORJMXFT-UHFFFAOYSA-N 263.213 0.438 5 40 CCBB CC(=O)[C@H]1C(=O)C(=O)N(c2ccccc2[N+](=O)[O-])C1=O 104273920 MIFSEPBEDWGESJ-VIFPVBQESA-N 276.204 0.242 5 40 CCBB COC[C@@H](C)NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C 8986039 TYEWEVJNFMUQAJ-SSDOTTSWSA-N 270.289 0.559 5 40 CCBB COC(=O)[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 3112205 VUCNDFSNBNCLOA-ZETCQYMHSA-N 288.281 0.435 5 40 CCBB COCCCNC(=O)Cn1cc([N+](=O)[O-])nc1C 65834369 MGNZTJBYOZGTNH-UHFFFAOYSA-N 256.262 0.252 5 40 CCBB O=C1NC(=S)N/C1=C\c1cc([N+](=O)[O-])ccc1O 13130761 QYOAAZHZUKLPFB-DAXSKMNVSA-N 265.250 0.646 5 40 CCBB COC(=O)c1ccc(N2CCOCC2=O)c([N+](=O)[O-])c1 116304508 FPPYTZQOSZTPSM-UHFFFAOYSA-N 280.236 0.745 5 40 CCBB O=C(NCCO)c1cc2cc([N+](=O)[O-])ccc2oc1=O 11565760 VRSKVNDZLWUFRP-UHFFFAOYSA-N 278.220 0.423 5 40 CCBB CCO[C@]1(O)C[C@@H](n2cc([N+](=O)[O-])nc2C)[C@H]2CO[C@H]1O2 103000013 OXSXUEROEPJIRU-PKZYVASSSA-N 299.283 0.511 5 40 CCBB Cn1nc([N+](=O)[O-])nc1-n1cc2cc([N+](=O)[O-])ccc2n1 59922929 OBQBWAGSBBVLKM-UHFFFAOYSA-N 289.211 0.970 5 40 CCBB O=C(Cn1cc([N+](=O)[O-])cn1)NCC(=O)c1cccs1 95399220 OKBZWRKJKHKLEZ-UHFFFAOYSA-N 294.292 0.852 5 40 CCBB CC(=O)[C@@H]1C(=O)C(=O)N(c2cccc([N+](=O)[O-])c2)C1=O 1635995 FPTIUKDQCKIZFQ-SECBINFHSA-N 276.204 0.242 5 40 CCBB CN[C@H](CC(=O)O)C(=O)Nc1cccc([N+](=O)[O-])c1 5091480 VYTLASDMZLMNBF-SECBINFHSA-N 267.241 0.596 5 40 CCBB Cc1cc(=O)n(CC(=O)NCC(F)(F)F)cc1[N+](=O)[O-] 89568482 LPONUCMMHWBDQT-UHFFFAOYSA-N 293.201 0.743 5 40 CCBB O=c1nc2[nH]c3ccc4nsnc4c3nc-2c(=O)[nH]1 5687378 IHQVPQBIQYXOGB-UHFFFAOYSA-N 272.249 0.116 5 40 CCBB O=c1[nH]c(/C=C/c2ccccn2)c([N+](=O)[O-])c(=O)[nH]1 6423473 ARVQEKMGMVLMFR-SNAWJCMRSA-N 260.209 0.537 5 40 CCBB Cc1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)no1 24980084 VIKHCKBOOXRIBS-UHFFFAOYSA-N 264.197 0.832 5 40 CCBB CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CCS(=O)(=O)C1 91550264 UXYMTQLJCANAKS-QMMMGPOBSA-N 288.329 0.719 5 40 CCBB O=C(O)c1nn(-c2ncccc2Cl)nc1[N+](=O)[O-] 89261869 KEINAAQDDSLUCN-UHFFFAOYSA-N 269.604 0.922 5 40 CCBB O=c1ccc(=O)n2n1CN(c1ccc([N+](=O)[O-])cc1)C2 5390829 BPERCTNBYFYRPK-UHFFFAOYSA-N 274.236 0.353 5 40 CCBB O=c1oc2ccccc2c(N(CCO)CCO)c1[N+](=O)[O-] 6243724 FBDFEQMFOFKLTO-UHFFFAOYSA-N 294.263 0.492 5 40 CCBB COc1ccc([C@H]2NCCC(=O)N2)cc1[N+](=O)[O-] 408736262 ABZFFIOJZUWRIE-NSHDSACASA-N 251.242 0.712 5 40 CCBB CC[N+](C)(C)CCOC(=O)[C@@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23 5352267 WNXAGUCTKIYJAM-FHUSYTEZSA-N 282.360 0.824 5 40 CCBB COCCCNC(=O)C(=O)Nc1ccccc1[N+](=O)[O-] 5251415 HREDHMABSXLGBX-UHFFFAOYSA-N 281.268 0.686 5 40 CCBB CN(C)C(=O)CNC(=O)Cc1ccccc1[N+](=O)[O-] 24377507 PXWLTIHXIPAGNY-UHFFFAOYSA-N 265.269 0.342 5 40 CCBB NC(=O)c1cc([N+](=O)[O-])cn(CCc2ccncc2)c1=O 25046047 ZYPLPSYDOIGASO-UHFFFAOYSA-N 288.263 0.493 5 40 CCBB C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO1 28504750 MEAHKWKDWFJJQN-QMMMGPOBSA-N 254.246 0.039 5 40 CCBB Cc1nn(C)c(C(=O)N[C@H](C)[C@H]2CCCO2)c1[N+](=O)[O-] 2777741 PVTNZTNPDUUMFI-VXNVDRBHSA-N 282.300 0.934 5 40 CCBB O=C(Nc1cccnc1N1CCOCC1)[C@@H]1C[C@@H]1[N+](=O)[O-] 56164623 IEHWXZFZDGRSKK-KOLCDFICSA-N 292.295 0.522 5 40 CCBB Cc1ncc([N+](=O)[O-])n1CCc1nnc(N)s1 1072388 UDVMRDQCTYDXGO-UHFFFAOYSA-N 254.275 0.776 5 40 CCBB O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCOCC1 3193099 XEWJEPSXWNILMA-UHFFFAOYSA-N 250.254 0.996 5 40 CCBB Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)C[C@@H](C)O 51820867 IYNYJXGMFCAIJQ-SECBINFHSA-N 288.325 0.905 5 40 CCBB CNc1ccc(C(=O)N2CCNC(=O)C2)cc1[N+](=O)[O-] 23419063 CIQLNWHNPJBFDM-UHFFFAOYSA-N 278.268 0.209 5 40 CCBB CC(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 14245919 BXVZVBDXFCYUKH-UHFFFAOYSA-N 250.258 0.658 5 40 CCBB Cn1nnnc1Sc1ccc(C(=O)O)cc1[N+](=O)[O-] 3286660 ARCIDFHGDQRFMG-UHFFFAOYSA-N 281.253 0.968 5 40 CCBB COc1cc(/C=C2\NC(=O)NC2=O)cc([N+](=O)[O-])c1O 16195079 SMQIKOBDTSGHIX-KXFIGUGUSA-N 279.208 0.489 5 40 CCBB O=[N+]([O-])c1ccc(N2CCCN(CCO)CC2)nc1 69698148 NDHXBVXYMLFGPH-UHFFFAOYSA-N 266.301 0.494 5 40 CCBB CN(C1CCNCC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 36300019 BYLFCWRQWQNXMJ-UHFFFAOYSA-N 299.352 0.967 5 40 CCBB Cc1cnc(N2CCC(NC(N)=O)CC2)c([N+](=O)[O-])c1 80230281 BGVUDPDDKKWKCG-UHFFFAOYSA-N 279.300 0.935 5 40 CCBB Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] 4660494 SYKWSQHWZQYROS-UHFFFAOYSA-N 251.242 0.649 5 40 CCBB CCn1nnc(NC(=O)COc2ccccc2[N+](=O)[O-])n1 557408 BYGHICDCKOXJBR-UHFFFAOYSA-N 292.255 0.619 5 40 CCBB CCN1CCC[C@H]1CNc1ncnc(N)c1[N+](=O)[O-] 3912725 XESXXENZNNWCNV-QMMMGPOBSA-N 266.305 0.863 5 40 CCBB C[C@@H](CN(C)c1ncc([N+](=O)[O-])cn1)c1nnn[nH]1 95244200 DTRSQHGYVQQACF-LURJTMIESA-N 264.249 0.138 5 40 CCBB O=C1C(=O)N(CN2CCOCC2)c2ccc([N+](=O)[O-])cc21 19300442 QLDDTGDDLGYCQR-UHFFFAOYSA-N 291.263 0.414 5 40 CCBB C[C@@H](OC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)NC(N)=O 7658132 NZURTYOUBREYRS-SSDOTTSWSA-N 295.251 0.264 5 40 CCBB Cc1nn(C)cc1CN(C)C(=O)c1nn(C)cc1[N+](=O)[O-] 2778734 YLVSMSLHUSVXIW-UHFFFAOYSA-N 292.299 0.642 5 40 CCBB Cc1nn(CCC(=O)N2CCN(C)CC2)c(C)c1[N+](=O)[O-] 22238422 WXUSHUDZJCDWLM-UHFFFAOYSA-N 295.343 0.572 5 40 CCBB CNc1nc(N2CCCCC2)nc(N)c1[N+](=O)[O-] 4140236 XITFZWIUEIQUQV-UHFFFAOYSA-N 252.278 0.999 5 40 CCBB O=C(O)c1nn[nH]c1-c1cc([N+](=O)[O-])ccc1O 9434508 OBXUXJZEERWKJF-UHFFFAOYSA-N 250.170 0.784 5 40 CCBB O=C(NCCN1CCOCC1)c1ccc([N+](=O)[O-])cc1 20146067 RQUIYXDMIFXMEA-UHFFFAOYSA-N 279.296 0.657 5 40 CCBB Cc1cc(C)n(NC(=O)c2n[nH]cc2[N+](=O)[O-])c(=O)c1 6413360 RUNLHCHQPJNZDW-UHFFFAOYSA-N 277.240 0.480 5 40 CCBB CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCCNCC1 15443680 RIQWXZCLRXSYCR-UHFFFAOYSA-N 299.352 0.798 5 40 CCBB C[C@@H](O)C[N@+]1(C)C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 252463033 YHYFKNRSINQAGF-HPTBWKMGSA-N 263.361 0.793 5 40 CCBB biogenic CCCCNC(=O)Cn1nc([N+](=O)[O-])c([N+](=O)[O-])c1C 4076217 SPROQOXYQNCXKC-UHFFFAOYSA-N 285.260 0.924 5 40 CCBB COc1cc([C@H]2NCCC(=O)N2)cc([N+](=O)[O-])c1O 408737301 NKSUTONQDCENBB-NSHDSACASA-N 267.241 0.417 5 40 CCBB CCn1cc([N+](=O)[O-])c(-n2ccc(C(=O)O)n2)n1 253393509 QTCVGJDRQZCHFP-UHFFFAOYSA-N 251.202 0.695 5 40 CCBB Cn1cncc1CCNc1ncc([N+](=O)[O-])c(N)n1 96011381 JBVYCUJQMFDQGM-UHFFFAOYSA-N 263.261 0.355 5 40 CCBB C[C@H]1C=C[C@@]2([N+](=O)[O-])CN(C)C[C@@]1([N+](=O)[O-])[C@@H]2C 217557495 ODIZRZKFOUMOQL-ZDCRXTMVSA-N 255.274 0.805 5 40 CCBB CCOC(=O)C[S@](=O)Cn1nc([N+](=O)[O-])cc1C 12395811 IFHKLQFZNXLVPA-GOSISDBHSA-N 275.286 0.369 5 40 CCBB O=C(O)c1cc([N+](=O)[O-])c(C(=O)O)c([N+](=O)[O-])c1 1715573 DTFDTKLNTMAPQO-UHFFFAOYSA-N 256.126 0.899 5 40 CCBB C[C@@H]1C=C[C@@]2([N+](=O)[O-])CN(C)C[C@@]1([N+](=O)[O-])[C@H]2C 138688963 ODIZRZKFOUMOQL-YTWAJWBKSA-N 255.274 0.805 5 40 CCBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(=O)[nH]c(=O)[nH]1 8268122 ALAGOXFVAPWZIT-UHFFFAOYSA-N 276.208 0.224 5 40 CCBB CS(=O)(=O)[C@@H]1c2cc([N+](=O)[O-])ccc2O[C@@H]1O 96532783 OPLBVKMIFSBWJN-BDAKNGLRSA-N 259.239 0.391 5 40 CCBB CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 5637720 XRKWOGZOQWSBCT-UHFFFAOYSA-N 250.258 0.658 5 40 CCBB O=C(NCCn1cnc([N+](=O)[O-])n1)OCC(F)(F)F 71804197 YLRSFCLPBDLPEG-UHFFFAOYSA-N 283.166 0.475 5 40 CCBB Nn1cnnc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 216905232 WJKJZYCBFKGADT-UHFFFAOYSA-N 282.241 0.960 5 40 CCBB O=C1CC[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N1 45221877 BDFRHFVAAKFCOH-MRVPVSSYSA-N 294.223 0.720 5 40 CCBB CCn1cc(CN(C)C(=O)c2c([N+](=O)[O-])cnn2C)cn1 2778080 FNYJVQRMLLJNTD-UHFFFAOYSA-N 292.299 0.817 5 40 CCBB Cn1cnnc1Sc1ccc(C(N)=O)cc1[N+](=O)[O-] 5943482 AWDNUSSNUHDYLW-UHFFFAOYSA-N 279.281 0.973 5 40 CCBB COc1ccc([C@H]2[C@@H](O)[C@H](O)[C@@H](C)[N+]2(C)C)cc1OC 5881060 QGJMCYCZPPSDJM-KYQLBWAOSA-N 282.360 0.945 5 40 CCBB Cc1ccnn1CCCNC(=O)c1n[nH]cc1[N+](=O)[O-] 6447342 XNJWHPPLVLMLAR-UHFFFAOYSA-N 278.272 0.643 5 40 CCBB O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@@H](O)CO 236517920 DBBVMMUVJUHKAS-RXMQYKEDSA-N 281.190 0.774 5 40 CCBB CCOC(=O)Cn1nc(-c2ccc([N+](=O)[O-])o2)oc1=O 1561295 CPLLQPUCYJDKLL-UHFFFAOYSA-N 283.196 0.568 5 40 CCBB Cc1nn(Cc2nc3c4cn[nH]c4ncn3n2)cc1[N+](=O)[O-] 17024692 AHHIHBRPKGDSPH-UHFFFAOYSA-N 299.254 0.462 5 40 CCBB CCn1ncc([N+](=O)[O-])c1C(=O)N1CCN2CCC[C@@H]2C1 2766961 HMNWGMQJMCYLBN-SNVBAGLBSA-N 293.327 0.731 5 40 CCBB CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1nnn[nH]1 95170459 VMRNWKZQVAWLJL-ZCFIWIBFSA-N 280.244 0.972 5 40 CCBB O=C1NC(=O)/C(=C\c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)N1 408721027 CPISCDRGGMAFKN-QHHAFSJGSA-N 294.179 0.389 5 40 CCBB NC(=O)CN1CCO[C@@H](COc2ccc([N+](=O)[O-])cc2)C1 217503304 IGBRDXGPJUSOSE-GFCCVEGCSA-N 295.295 0.160 5 40 CCBB O=[N+]([O-])c1ccc(N[C@H]2C[C@H](O)[C@H](CO)O2)cc1 4256347 UWSNAJVXFGEVDK-GARJFASQSA-N 254.242 0.475 5 40 CCBB C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)N1 70076988 XPPCURBXRAWDMS-UWVGGRQHSA-N 299.352 0.966 5 40 CCBB Cn1c(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nc2ccccc21 89749712 NBJUOJQIKMDNCQ-LDYMZIIASA-N 274.280 0.855 5 40 CCBB COc1cccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c1 4728166 RBAVXTRYZMCJLV-UHFFFAOYSA-N 277.240 0.834 5 40 CCBB Cc1ccc(C(=O)Nc2nnn(C)n2)cc1[N+](=O)[O-] 558079 HSXVXLZHQPUFMU-UHFFFAOYSA-N 262.229 0.679 5 40 CCBB NC(=O)[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 52961799 YLKNFEDHNLDTNU-LLVKDONJSA-N 263.297 0.945 5 40 CCBB NC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)CCN1 36398825 WHGYGVSWYLUUHD-SECBINFHSA-N 284.703 0.512 5 40 CCBB O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1nnn[nH]1 72678355 PNRLNSFZPPASSL-AATRIKPKSA-N 260.213 0.760 5 40 CCBB CN([N+](=O)[O-])S(=O)(=O)c1cccc([N+](=O)[O-])c1 408718305 IRJGJMPFCXYRSV-UHFFFAOYSA-N 261.215 0.407 5 40 CCBB C[S@@](=O)c1nnnn1-c1ccc([N+](=O)[O-])cc1 4784893 AKJSVTHNLTXJPB-KRWDZBQOSA-N 253.243 0.308 5 40 CCBB CCn1cc([N+](=O)[O-])c(C(=O)NCCCn2cccn2)n1 36611180 MFZJLKPLDGXMMR-UHFFFAOYSA-N 292.299 0.828 5 40 CCBB COC(=O)c1cc([N+](=O)[O-])cn(CC(=O)OC(C)C)c1=O 40538818 YZTVATICRKVAEQ-UHFFFAOYSA-N 298.251 0.495 5 40 CCBB COC(=O)[C@@H]1C[C@H](O)CN1Cc1cccc([N+](=O)[O-])c1 22034668 ZZECJVNTCRFDDM-RYUDHWBXSA-N 280.280 0.703 5 40 CCBB C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CC(N)=O 47629441 GOQMVNREEOSRFU-QMMMGPOBSA-N 280.284 0.339 5 40 CCBB COC[C@@H](C)NC(=O)C(=O)Nc1ccccc1[N+](=O)[O-] 10327317 PHTILFVEPYGWCA-MRVPVSSYSA-N 281.268 0.684 5 40 CCBB CNc1nc(N2C[C@H](C)O[C@H](C)C2)nc(N)c1[N+](=O)[O-] 17247417 NBTQYSSZQWJMMA-KNVOCYPGSA-N 282.304 0.622 5 40 CCBB O=c1n(Cc2c(F)cccc2[N+](=O)[O-])nc2cnccn12 97107151 GISXZHKFRVDLFP-UHFFFAOYSA-N 289.226 0.987 5 40 CCBB Cn1ncc(NC(=O)c2cccc([N+](=O)[O-])c2)c1C(N)=O 2795411 VNRLIBBSOKEUNW-UHFFFAOYSA-N 289.251 0.680 5 40 CCBB Cn1nc([N+](=O)[O-])c(I)c1C(=O)O 72339370 JUNBDIQIHUXZPA-UHFFFAOYSA-N 297.008 0.631 5 40 CCBB O=C(O)[C@H]1CC(=O)N(CCNc2ccc([N+](=O)[O-])cc2)C1 45958697 BIYBOOPCVDQEHB-VIFPVBQESA-N 293.279 0.940 5 40 CCBB CC1(C)N2CC3([N+](=O)[O-])CN1CC([N+](=O)[O-])(C2)C3(C)C 19321377 VHHRUXZJWFSUFG-UHFFFAOYSA-N 284.316 0.425 5 40 CCBB O=C(CSCCO)Nc1ccc([N+](=O)[O-])cc1O 408545226 ZSLMIXLNCOOMTD-UHFFFAOYSA-N 272.282 0.964 5 40 CCBB COC(=O)[C@@H]1C[C@H](Oc2ccc([N+](=O)[O-])cc2)CN1 14632583 GSUROSDDZDJRLX-QWRGUYRKSA-N 266.253 0.877 5 40 CCBB COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)NC[C@H](C)O 5005562 CKNUJWRRCFXHHS-QMMMGPOBSA-N 297.311 0.780 5 40 CCBB Cc1cnc(N2CCN([C@@H](C)C(N)=O)CC2)c([N+](=O)[O-])c1 96461257 XBMIUIGGYZPXJG-JTQLQIEISA-N 293.327 0.294 5 40 CCBB COC[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 19832480 AFTWJYAKKQIXAY-AWEZNQCLSA-N 295.339 0.724 5 40 CCBB CCN[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)O 5257941 CCSGRXRNYWOHBK-SNVBAGLBSA-N 281.268 0.986 5 40 CCBB C[N+]1(C/C=C\C[N+]2(C)CCOCC2)CCOCC1 4917900 IAKKBMBYYANRAF-ARJAWSKDSA-N 256.390 0.496 5 40 CCBB Cc1nn2c(CCC(=O)O)nc3ccccc3c2nc1=O 12878008 WCCPZXFVNAKCCB-UHFFFAOYSA-N 284.275 0.963 5 40 CCBB O=[N+]([O-])[C@H]1C[C@@H](O)[C@H](O)C[C@@H]1c1ccc2c(c1)OCO2 5048533 KTOWEJLNNWWOAT-LMLFDSFASA-N 281.264 0.660 5 40 CCBB C=Cn1nnc(NC(=O)COc2ccccc2[N+](=O)[O-])n1 10119689 ODRWDKMPCWZZRA-UHFFFAOYSA-N 290.239 0.699 5 40 CCBB C[C@@H](C(N)=O)N1CCN(c2sccc2[N+](=O)[O-])CC1 95986665 CAVWUECHCQAJDF-QMMMGPOBSA-N 284.341 0.652 5 40 CCBB CNCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 36298091 HSZUKQNDZVLHTP-UHFFFAOYSA-N 273.314 0.483 5 40 CCBB O=C(Nc1cccnc1N1CCOCC1)[C@H]1C[C@H]1[N+](=O)[O-] 56164626 IEHWXZFZDGRSKK-GXSJLCMTSA-N 292.295 0.522 5 40 CCBB COc1cc(NS(C)(=O)=O)c([N+](=O)[O-])cc1N 4100938 LFMMHRQWXPRLBT-UHFFFAOYSA-N 261.259 0.557 5 40 CCBB Cn1cnc2cc(NCCO)c([N+](=O)[O-])cc2c1=O 5373519 JQMBJRIIOFZUDT-UHFFFAOYSA-N 264.241 0.246 5 40 CCBB COc1ccc(CN(CCO)CCO)cc1[N+](=O)[O-] 548078 LRCJQBCTMMEFIO-UHFFFAOYSA-N 270.285 0.390 5 40 CCBB Nc1c([N+](=O)[O-])cc(CN2CCOCC2)cc1[N+](=O)[O-] 19932951 CBCKREOWIWGVJF-UHFFFAOYSA-N 282.256 0.917 5 40 CCBB CN1CCN(c2ncnc(Cl)c2[N+](=O)[O-])CC1 40448195 QVRVBORXKOSPAY-UHFFFAOYSA-N 257.681 0.790 5 40 CCBB CCOC(=O)CCCn1cc(C(N)=O)c([N+](=O)[O-])n1 238853752 KRSXSTKAYZKXTA-UHFFFAOYSA-N 270.245 0.234 5 40 CCBB COc1cccc2c1[n+]([O-])c1cccc(O)c1[n+]2[O-] 5640188 JIDVGUQUQSOHOL-UHFFFAOYSA-N 258.233 0.974 5 40 CCBB in-man OCC[N+]12CC[N+](CCO)(CC1)c1ccccc12 3172359 AFBOCYFSSMEVDM-UHFFFAOYSA-N 250.342 0.313 5 40 CCBB COC(=O)c1ccc([N+](=O)[O-])c(NCC(=O)O)c1 66323414 BDSMQEFGTZAGBU-UHFFFAOYSA-N 254.198 0.878 5 40 CCBB CNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1F 21817117 BBNCAUCNCDIBQL-UHFFFAOYSA-N 252.198 0.781 5 40 CCBB O=c1c([N+](=O)[O-])c(NCCCO)nc2ccccn12 24057133 DAIDPSOIXVCKIY-UHFFFAOYSA-N 264.241 0.397 5 40 CCBB COc1ccc([N+](=O)[O-])cc1N1C[C@@H](C(N)=O)CC1=O 45953047 RTUPEPKKKAKVTO-ZETCQYMHSA-N 279.252 0.442 5 40 CCBB CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 16643479 YJSMIPOYFZMESD-UHFFFAOYSA-N 277.280 0.899 5 40 CCBB C[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H](C)O1 483529 JRIGDKIATMFDRU-HTQZYQBOSA-N 268.273 0.578 5 40 CCBB NC(=O)c1ccc(=O)n(Cc2csc([N+](=O)[O-])c2)n1 71803677 YDYWHAZLCNPOJE-UHFFFAOYSA-N 280.265 0.360 5 40 CCBB COc1n[nH]c(C(=O)NCc2ccccn2)c1[N+](=O)[O-] 6397636 VYWSDAQXXKBOQH-UHFFFAOYSA-N 277.240 0.652 5 40 CCBB O=[N+]([O-])c1c(F)cccc1N1CCN(CCO)CC1 40452411 PULKQLQPAWEELB-UHFFFAOYSA-N 269.276 0.848 5 40 CCBB C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CCN1 15443151 FSLXLICOGROISX-SECBINFHSA-N 299.352 0.796 5 40 CCBB Cc1cccc(C(=O)N2CCNC(=O)CC2)c1[N+](=O)[O-] 54547508 DBDJUBJNPMBTOJ-UHFFFAOYSA-N 277.280 0.865 5 40 CCBB C[C@]12C(=O)N(CC[N+](C)(C)C)C(=O)[C@@]1(C)[C@@H]1CC[C@H]2O1 17002451 NQSPKNLBKKAEBP-AGCIHXOGSA-N 281.376 0.635 5 40 CCBB C[C@@]1(C(=O)C2=NNC[C@@H]2c2cccc([N+](=O)[O-])c2)CO1 4862800 VETRWRZUSPQJOB-MFKMUULPSA-N 275.264 0.996 5 40 CCBB Cc1cc(N[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])cc1C 15135149 WLLHTFRIRXXZRS-QNWHQSFQSA-N 298.295 0.063 5 40 CCBB biogenic CS(=O)(=O)[C@@H](CO)C(=O)c1cccc([N+](=O)[O-])c1 96518754 PBQYCWZMIBLVEU-VIFPVBQESA-N 273.266 0.183 5 40 CCBB CCN(CC(=O)NC(N)=O)Cc1cccc([N+](=O)[O-])c1 30967455 NFXOFEIYWSFCPY-UHFFFAOYSA-N 280.284 0.612 5 40 CCBB CCNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 11409992 KJHSPSGQIMOVBJ-MRVPVSSYSA-N 265.269 0.849 5 40 CCBB O=c1cc(-c2nn[nH]n2)oc2c([N+](=O)[O-])cccc12 139820158 ZXXAZECNTAYFMK-UHFFFAOYSA-N 259.181 0.881 5 40 CCBB Cc1onc(C(=O)O)c1Cn1ccc([N+](=O)[O-])n1 12357825 ULDWPSLIGAWWJW-UHFFFAOYSA-N 252.186 0.834 5 40 CCBB Nc1cc2c(cc1[N+](=O)[O-])OCCOCCOCCO2 3896125 ILQPHLPWMLXAEH-UHFFFAOYSA-N 284.268 0.981 5 40 CCBB Nc1ccc(C(=O)O[C@@H]2CCOC2=O)cc1[N+](=O)[O-] 5659006 AFUDEFYYMWFPNZ-SECBINFHSA-N 266.209 0.649 5 40 CCBB O=[N+]([O-])c1n[nH]c(S(=O)(=O)Cc2ccccc2)n1 59488840 XZHAOGLJXOPHSY-UHFFFAOYSA-N 268.254 0.687 5 40 CCBB NCCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 97229239 ZFOZNUCOLLMJGJ-UHFFFAOYSA-N 279.705 0.485 5 40 CCBB CN(C)c1ccc2nc3c(=O)n(C)c(=O)n(C)c3nc2c1 517789 MTJLYAFFHYBWPU-UHFFFAOYSA-N 285.307 0.246 5 40 CCBB biogenic COc1cc(/C=C2/NC(=O)NC2=O)cc([N+](=O)[O-])c1O 101377809 SMQIKOBDTSGHIX-QHHAFSJGSA-N 279.208 0.489 5 40 CCBB C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CC(=O)O)C1=O 37011693 IRIDYLVMJINTID-GFCCVEGCSA-N 293.235 0.446 5 40 CCBB C[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)[C@H]1CCCO1 2778621 WLECMVOEFTVVIY-VXNVDRBHSA-N 268.273 0.626 5 40 CCBB Cc1cc(N[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])cc1C 4126332 WLLHTFRIRXXZRS-NDBYEHHHSA-N 298.295 0.063 5 40 CCBB CC(=O)c1ccc2nc3c(=O)[nH]c(O)nc3nc2c1 5836145 WNIUOFRBHOEROX-UHFFFAOYSA-N 256.221 0.775 5 40 CCBB O=[N+]([O-])c1ccc(N2CCNCC2)c(-n2cnnc2)c1 70461805 SYVHOGOTTHGVNP-UHFFFAOYSA-N 274.284 0.585 5 40 CCBB 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O=C(O)[C@H]1C(=O)Oc2c(cccc2[N+](=O)[O-])[C@H]1O 1705137 QTLKWSZXEBWSAU-NKWVEPMBSA-N 253.166 0.248 5 40 CCBB CCCN1CCN(Cn2cc([N+](=O)[O-])cn2)CC1 14192824 LJOSVKNYUFCTGK-UHFFFAOYSA-N 253.306 0.776 5 40 CCBB C[C@@]1(C(=O)O)Oc2ccc([N+](=O)[O-])cc2NC1=O 8729842 XZMYDNQTCBXZKS-SNVBAGLBSA-N 252.182 0.769 5 40 CCBB in-vitro O=C(COc1cccnc1[N+](=O)[O-])NC[C@@H]1CCCO1 5971566 JRBKDELOOVKICA-VIFPVBQESA-N 281.268 0.664 5 40 CCBB Cc1csc2nc(Cn3cnc([N+](=O)[O-])n3)cc(=O)n12 41077921 NEVDOBPCRLFIJY-UHFFFAOYSA-N 292.280 0.612 5 40 CCBB CCOCC(=O)N[C@H]1CCc2ncc([N+](=O)[O-])cc2C1 95996812 FDMROXIUXUKMFV-JTQLQIEISA-N 279.296 1.000 5 40 CCBB C[C@@H](N)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 63170861 OTDBFBOHJGPBAT-MRVPVSSYSA-N 273.314 0.610 5 40 CCBB CCOC(=O)C1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 71284727 WBFWBFVIXBEPJC-UHFFFAOYSA-N 295.299 0.747 5 40 CCBB CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CCS(=O)(=O)C1 91550263 UXYMTQLJCANAKS-MRVPVSSYSA-N 288.329 0.719 5 40 CCBB Cc1nn(CCC(=O)NN2CCOCC2)c(C)c1[N+](=O)[O-] 2778337 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278.224 0.927 5 40 CCBB Cn1c(NCc2ccccc2)c([N+](=O)[O-])c(=O)n(C)c1=O 4974808 GYEDOYGSFQRCOH-UHFFFAOYSA-N 290.279 0.604 5 40 CCBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@H]1CCCO1 6120236 QJOMVLRIRYUIKQ-SNVBAGLBSA-N 281.268 0.052 5 40 CCBB CS(=O)(=O)[C@@H](CO)[C@@H](O)c1cccc([N+](=O)[O-])c1 96521808 GOHNTTXJPUZVDI-UWVGGRQHSA-N 275.282 0.034 5 40 CCBB CC(C)C(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 13355891 IUBVSPMUTLUQHL-NEPJUHHUSA-N 282.296 0.761 5 40 CCBB biogenic CNC(=O)N1CCN(c2c([N+](=O)[O-])c(C)nn2C)CC1 84012421 HGSBVMDDMSXAQJ-UHFFFAOYSA-N 282.304 0.098 5 40 CCBB O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCNC1 125922182 DAHODLHGDXIASI-LLVKDONJSA-N 263.297 0.863 5 40 CCBB O=C(O)C1=C(OCc2ccc([N+](=O)[O-])cc2)C(=O)NCC1 4108812 PWNJYCUJBFAZPC-UHFFFAOYSA-N 292.247 0.970 5 40 CCBB O=[N+]([O-])c1ccc(S(=O)(=O)c2nc[nH]n2)cc1 9142805 DEEAWZTYYQRJRR-UHFFFAOYSA-N 254.227 0.546 5 40 CCBB CCS(=O)(=O)[C@H](CO)[C@@H](O)c1cccc([N+](=O)[O-])c1 96521964 LSIAVVCDIVZJOE-MNOVXSKESA-N 289.309 0.424 5 40 CCBB Cc1c([N+](=O)[O-])cc(C(=O)Nn2cnnc2)cc1[N+](=O)[O-] 8435241 FXXVUNOAUBCTEH-UHFFFAOYSA-N 292.211 0.787 5 40 CCBB CC1=CC[C@]2([N+](=O)[O-])CN(CC(=O)O)C[C@]1([N+](=O)[O-])C2 101745172 NMQZLFDQZCKUJV-GHMZBOCLSA-N 285.256 0.158 5 40 CCBB C[C@@H](C(=O)N1CCOCC1)n1cc([N+](=O)[O-])cn1 4686646 PKNVTHXTTAZHSU-QMMMGPOBSA-N 254.246 0.211 5 40 CCBB O=[N+]([O-])c1cccc(N[C@@H]2C[C@H](O)[C@@H](CO)O2)c1 4042349 CLLWEXLJYXLEPE-AXFHLTTASA-N 254.242 0.475 5 40 CCBB C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)O 5125397 IFHSAIAIMGLJBS-ZCFIWIBFSA-N 274.254 0.346 5 40 CCBB Cn1c(=O)n(C)c2c([N+](=O)[O-])c([N+](=O)[O-])c([N+](=O)[O-])cc21 8398181 FTRJSVVYDNUFBP-UHFFFAOYSA-N 297.183 0.602 5 40 CCBB Cn1c(CNC(=O)[C@H]2C[C@H]2[N+](=O)[O-])nc2ccccc21 89749715 NBJUOJQIKMDNCQ-GZMMTYOYSA-N 274.280 0.855 5 40 CCBB CC(C)C[C@H](CO)Nc1ncc([N+](=O)[O-])c(N)n1 69922308 RRMIKWKWHBHQOY-SSDOTTSWSA-N 255.278 0.786 5 40 CCBB O=C(NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccccc1F 65490401 OAJHFWIHOOPSKW-MWLCHTKSSA-N 295.270 0.337 5 40 CCBB CCNC(=O)NC(=O)CN(C)Cc1ccccc1[N+](=O)[O-] 26346836 OWRAYKCHHIQMQZ-UHFFFAOYSA-N 294.311 0.872 5 40 CCBB C[C@H](O)CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] 32837494 XUQOOHMTPRHBMC-LURJTMIESA-N 264.241 0.624 5 40 CCBB CNC(=O)CN1CCC(Nc2ncccc2[N+](=O)[O-])CC1 25579520 OPKZJBYGEWPQQW-UHFFFAOYSA-N 293.327 0.612 5 40 CCBB C=Cn1nnc(NC(=O)COc2ccc([N+](=O)[O-])cc2)n1 10119690 OBAUJJAFOMGGCY-UHFFFAOYSA-N 290.239 0.699 5 40 CCBB O=[N+]([O-])c1ccc([C@H](O)CN2CCN(CCO)CC2)cc1 31937882 YHDGRNXFSAHSLH-CQSZACIVSA-N 295.339 0.238 5 40 CCBB CNC(=O)Cn1cc(Br)c([N+](=O)[O-])n1 40445636 IVHRLACYRURJQJ-UHFFFAOYSA-N 263.051 0.300 5 40 CCBB COC[C@@H](C)NC(=O)C(=O)Nc1ccc(C)cc1[N+](=O)[O-] 10327475 PMRCQZFPSQSLFJ-SECBINFHSA-N 295.295 0.993 5 40 CCBB COc1ccc(C(=O)Nc2nnn(C)n2)cc1[N+](=O)[O-] 530030 SWTUOIZALSLOEI-UHFFFAOYSA-N 278.228 0.379 5 40 CCBB CC(=O)NC1=NN[C@@H](c2cccc([N+](=O)[O-])c2)O1 8555204 ZIYIJXKFFXXYEZ-SECBINFHSA-N 250.214 0.620 5 40 CCBB Cn1cc([N+](=O)[O-])c(C(=O)NC2=NCCS2)n1 2737781 BZSPVXMYCKOCNT-UHFFFAOYSA-N 255.259 0.161 5 40 CCBB CCOC(=O)c1cn([C@H](C)C(=O)O)nc1[N+](=O)[O-] 408717302 YDMCKYSXBZGAAQ-RXMQYKEDSA-N 257.202 0.614 5 40 CCBB O=[N+]([O-])c1ccccc1S(=O)(=O)NC1CCNCC1 19259469 IFUUTYAHEYIOPW-UHFFFAOYSA-N 285.325 0.625 5 40 CCBB COCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 44880694 JFHNHEPKDACESZ-UHFFFAOYSA-N 274.298 0.661 5 40 CCBB O=[N+]([O-])c1cc2ccccc2nc1NC[C@H](O)CO 276669131 STTYOMXZQAWQER-VIFPVBQESA-N 263.253 0.908 5 40 CCBB O=c1[nH]c(O)nc(/C=C/c2cccnc2)c1[N+](=O)[O-] 4708106 WBICTMFPYISFRO-ONEGZZNKSA-N 260.209 0.949 5 40 CCBB COc1cc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1O 48573286 FWSPRECRTUCXEN-RKDXNWHRSA-N 266.253 0.682 5 40 CCBB Nc1ncnc(N(CCO)Cc2ccccc2)c1[N+](=O)[O-] 3912623 DAPQEBGWMWSXHI-UHFFFAOYSA-N 289.295 0.966 5 40 CCBB CN1CC2=C(C1=O)[C@H](c1ccc([N+](=O)[O-])cc1)NC(=O)N2 4854680 MHXOUIYGXYRGDF-NSHDSACASA-N 288.263 0.675 5 40 CCBB O=C(COc1ccc([N+](=O)[O-])cc1)NN1CCCNC1=O 95996772 RDJATILFPQXXOQ-UHFFFAOYSA-N 294.267 0.420 5 40 CCBB Cc1cc(S(=O)(=O)NC[C@H](C)O)cc([N+](=O)[O-])c1C 35611421 BVMGQCRVLKGZDE-QMMMGPOBSA-N 288.325 0.871 5 40 CCBB C[C@H](C(=O)N1CCOCC1)n1cc([N+](=O)[O-])cn1 4686647 PKNVTHXTTAZHSU-MRVPVSSYSA-N 254.246 0.211 5 40 CCBB CC1([N+](=O)[O-])COP(=O)(NC[C@H]2CCCO2)OC1 1667919 LYNSFWWVGMXTTH-HBMSPMOMSA-N 280.217 0.945 5 40 CCBB O=C(NCCCOCC1CCOCC1)[C@H]1C[C@H]1[N+](=O)[O-] 71920666 BJYVUWVRYDWEOP-NWDGAFQWSA-N 286.328 0.601 5 40 CCBB Cn1ccs/c1=N\C(=O)CCn1cnc([N+](=O)[O-])c1 24818736 WKYXBGRRKJNIHD-BENRWUELSA-N 281.297 0.709 5 40 CCBB NC(=O)CN1CCC(Nc2ncccc2[N+](=O)[O-])CC1 12813118 NDDGIRWQHFOUST-UHFFFAOYSA-N 279.300 0.351 5 40 CCBB O=C(Cn1nnc(-c2ccc([N+](=O)[O-])cc2)n1)NC1CC1 1360657 VLNNVGOVTCTNDA-UHFFFAOYSA-N 288.267 0.527 5 40 CCBB CNC1=C([N+](=O)[O-])CC([N+](=O)[O-])=C(SC)N1C 3189993 IGTZDSRJVAYDML-UHFFFAOYSA-N 260.275 0.796 5 40 CCBB NC(=O)c1ccc(N2CCC(O)CC2)c([N+](=O)[O-])c1 15173002 PHMLONFMBCLEOG-UHFFFAOYSA-N 265.269 0.655 5 40 CCBB O=C(Cn1cnnn1)N1CCCc2c1cccc2[N+](=O)[O-] 95436677 PQECIUUASWKKDV-UHFFFAOYSA-N 288.267 0.561 5 40 CCBB Cc1nn(CN2CCC(C(N)=O)CC2)c(C)c1[N+](=O)[O-] 23381874 LMUUQHJTDFRXQP-UHFFFAOYSA-N 281.316 0.563 5 40 CCBB O=C(OC[C@H](O)CO)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2289181 CAGUMCDZGYGVKL-SSDOTTSWSA-N 286.196 0.013 5 40 CCBB NCCn1cc([N+](=O)[O-])c(OCC(F)(F)F)n1 408716164 JNQWLXAPOGKDGO-UHFFFAOYSA-N 254.168 0.691 5 40 CCBB CN(C)C(=O)COC(=O)c1ccc(N)c([N+](=O)[O-])c1 5692631 HZWFKTGIESYDRU-UHFFFAOYSA-N 267.241 0.422 5 40 CCBB COc1cc([C@H](N)C(=O)O)c([N+](=O)[O-])cc1OC 90516462 SCJSOFHQWFRHDI-VIFPVBQESA-N 256.214 0.696 5 40 CCBB O=C(OCC(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1 3309529 RRAUHYALDIRZAP-UHFFFAOYSA-N 294.263 0.610 5 40 CCBB Cc1cc([N+](=O)[O-])cnc1NCCc1n[nH]c(=O)[nH]1 79047769 NNWFEMQBFUNNJZ-UHFFFAOYSA-N 264.245 0.364 5 40 CCBB CN(C)C1CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 89314085 RDPIGJKZXYCAHO-UHFFFAOYSA-N 299.352 0.749 5 40 CCBB COC(=O)[C@H](NC(C)=O)[C@H](O)c1cccc([N+](=O)[O-])c1 72324569 POUQACFHYAHDFU-GHMZBOCLSA-N 282.252 0.306 5 40 CCBB biogenic CCCn1c2nc(=O)[nH]c(=O)c-2[n+]([O-])c2ccccc21 1563420 SPMGJJSJUNMUOS-UHFFFAOYSA-N 272.264 0.233 5 40 CCBB O=[N+]([O-])c1ccc2c(ccn2[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)c1 4601259 MNXWZTJAKNRWBN-FVCCEPFGSA-N 294.263 0.161 5 40 CCBB Cn1cnc([N+](=O)[O-])c1N1CCN(C[C@@H]2CCCO2)CC1 29842752 MGGPRHOSNUZXGH-NSHDSACASA-N 295.343 0.629 5 40 CCBB Cn1cnc([N+](=O)[O-])c1N1CCC2(CC1)OCCO2 26705269 IHTUKPUDVFWPCZ-UHFFFAOYSA-N 268.273 0.672 5 40 CCBB Cc1c(N2C[C@H](C(N)=O)CC2=O)cccc1[N+](=O)[O-] 45953605 IEKKFWRARNUJKM-MRVPVSSYSA-N 263.253 0.741 5 40 CCBB O=[N+]([O-])c1ncn(-c2nccc(C(F)(F)F)n2)n1 96447883 NUHHWKWLZRCSLP-UHFFFAOYSA-N 260.135 0.984 5 40 CCBB NC(=O)NC(=O)COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 3389972 LSVQDDQACXFYSG-ZZXKWVIFSA-N 293.235 0.346 5 40 CCBB O=C(O)c1cc(C(=O)NCCO)cc([N+](=O)[O-])c1 5784048 CPXQPGXUDGWVSK-UHFFFAOYSA-N 254.198 0.015 5 40 CCBB O=C(OCC(=O)N1CCCC1=O)c1cccc([N+](=O)[O-])c1 3510555 ZAYWSUXOADZUHU-UHFFFAOYSA-N 292.247 0.901 5 40 CCBB Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1CCCO1 7344392 XQNSYNKCBBAKIA-SECBINFHSA-N 268.273 0.395 5 40 CCBB Cc1cnc(NCCc2n[nH]c(=O)[nH]2)c([N+](=O)[O-])c1 79017223 WKHAIDZVOARZIJ-UHFFFAOYSA-N 264.245 0.364 5 40 CCBB O=c1/c(=C/c2cccc([N+](=O)[O-])c2)sc2n1CCN=2 16669722 XAZJQFNBXJCKJJ-YFHOEESVSA-N 275.289 0.280 5 40 CCBB O=[N+]([O-])c1ccc(OCCN2CCOCC2)nc1 96345907 KLJKMDQFASBUSZ-UHFFFAOYSA-N 253.258 0.701 5 40 CCBB Nc1nc2c([N+](=O)[O-])ccc(Br)n2n1 888084645 QUSDEVPKTWESOB-UHFFFAOYSA-N 258.035 0.982 5 40 CCBB COC(=N)NC(=O)c1cccc([N+](=O)[O-])c1C(=O)O 5526076 FADVDISAHANMRL-UHFFFAOYSA-N 267.197 0.604 5 40 CCBB NC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@H]1C[C@@H]1[N+](=O)[O-] 65607320 FQULZGNYBVEVLG-LSJOCFKGSA-N 275.264 0.095 5 40 CCBB CC(C)[C@H]1CN1C[C@H](O)Cn1ccnc1[N+](=O)[O-] 5114476 IOLDQEUSULQVRY-QYFJWPRKSA-N 254.290 0.492 5 40 CCBB CCCCOC(=O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O 42650185 HTHGWNHXVKDYOH-UHFFFAOYSA-N 297.267 0.199 5 40 CCBB N=C(Nc1ccc([N+](=O)[O-])cn1)N1CCC(C(N)=O)CC1 225239047 BVLRBGNHDOFYPP-UHFFFAOYSA-N 292.299 0.534 5 40 CCBB CC[N+](C)(C)CCOC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23 5352265 WNXAGUCTKIYJAM-MLGHIDQZSA-N 282.360 0.824 5 40 CCBB C[S@](=O)c1nnnn1-c1ccc([N+](=O)[O-])cc1 4784895 AKJSVTHNLTXJPB-QGZVFWFLSA-N 253.243 0.308 5 40 CCBB CCOC(=O)[C@@H](NC(C)=O)[C@H](O)c1cccc([N+](=O)[O-])c1 1714350 NSNOEMJKFMGTDG-NWDGAFQWSA-N 296.279 0.696 5 40 CCBB COc1nn(-c2n[nH]cc2[N+](=O)[O-])cc1[N+](=O)[O-] 14988556 CCGKCSPUPQBCKO-UHFFFAOYSA-N 254.162 0.420 5 40 CCBB CCS(=O)(=O)[C@H]1c2cc([N+](=O)[O-])ccc2O[C@@H]1O 96532794 GAQNQYLJSHSDHX-UWVGGRQHSA-N 273.266 0.781 5 40 CCBB CCNC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1 8094131 CDFJGBYPKZBOJB-UHFFFAOYSA-N 251.242 0.461 5 40 CCBB CN1C(=O)[C@@H]2[C@@H](C1=O)N(C)N[C@H]2c1ccc([N+](=O)[O-])cc1 170621022 GTXWHSJHZYYLNH-DCAQKATOSA-N 290.279 0.069 5 40 CCBB O=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCOCC1 5816322 NZQQQVHKNMPIHA-UHFFFAOYSA-N 295.251 0.904 5 40 CCBB COc1ccc([N+](=O)[O-])cc1OCC(=O)N1CCNC1=O 6290545 VDGZIBXWGNBDQY-UHFFFAOYSA-N 295.251 0.534 5 40 CCBB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c([N+](=O)[O-])cc21 9235095 UYJIIRQCHSTSRC-UHFFFAOYSA-N 252.186 0.693 5 40 CCBB NC1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 19874255 MEUBTOQWTXMXAQ-UHFFFAOYSA-N 285.325 0.707 5 40 CCBB CN[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 53202832 NJEMHFQIMFKONO-SNVBAGLBSA-N 299.352 0.967 5 40 CCBB NS(=O)(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 58430297 DDNPTYYMUDGOLQ-UHFFFAOYSA-N 285.325 0.852 5 40 CCBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1nnn[nH]1 5671570 HBXVYZCIOWANNE-ZZXKWVIFSA-N 260.213 0.760 5 40 CCBB O=[N+]([O-])C1(CO)COC(CCc2ccccc2)OC1 1617635 ANWPZBRMGJSEKH-UHFFFAOYSA-N 267.281 1.000 5 40 CCBB COC(=O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H](C)O 4017059 BVBFXLSRAGMSDA-WKEGUHRASA-N 299.239 0.837 5 40 CCBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@H]1CCCO1 6120232 QJOMVLRIRYUIKQ-JTQLQIEISA-N 281.268 0.052 5 40 CCBB O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCNC2)cc1 44502150 ZNACWHAIAPXVIT-SNVBAGLBSA-N 299.352 0.873 5 40 CCBB COc1ccc([N+](=O)[O-])cc1/C=C1/NC(=S)NC1=O 5257222 OKDPMKAPAVFRQE-VMPITWQZSA-N 279.277 0.949 5 40 CCBB C[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H](C)O1 483531 JRIGDKIATMFDRU-YUMQZZPRSA-N 268.273 0.578 5 40 CCBB COCCNC(=O)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 28004735 OVXDMOLIFSQORU-UHFFFAOYSA-N 295.251 0.265 5 40 CCBB O=[N+]([O-])c1ccccc1OS(=O)(=O)N1CCOCC1 27588643 GKXOTMQDNGKHBN-UHFFFAOYSA-N 288.281 0.551 5 40 CCBB O=C(N[C@@H]1CCCCNC1=O)c1ccccc1[N+](=O)[O-] 48702479 PSHKHNONNINXBM-SNVBAGLBSA-N 277.280 0.993 5 40 CCBB CC(C)n1c(=O)[nH]c(=O)c2cc([N+](=O)[O-])cnc21 4114224 ATMONDGVFJWDBW-UHFFFAOYSA-N 250.214 0.574 5 40 CCBB O=[N+]([O-])c1cnn(Cc2nnnn2C2CCCC2)c1 96193760 HKEFLUAJQAUOMS-UHFFFAOYSA-N 263.261 0.941 5 40 CCBB O=C(O)/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)O 98210114 RRPTXYQMIDPGEW-ONEGZZNKSA-N 280.192 0.872 5 40 CCBB Cc1cc([N+](=O)[O-])cn(C[C@@H](O)COC(C)C)c1=O 95975451 RPLRPFWJNUGKFU-LLVKDONJSA-N 270.285 0.851 5 40 CCBB CC(C)NC(=O)c1nc(Cn2cc([N+](=O)[O-])cn2)no1 4721630 XTHHDRMGYWJPRI-UHFFFAOYSA-N 280.244 0.361 5 40 CCBB NC(=O)c1c([N+](=O)[O-])cc(SCCO)cc1[N+](=O)[O-] 4622288 BXGVLNSGNBSNQP-UHFFFAOYSA-N 287.253 0.686 5 40 CCBB C[N+](C)(C)CCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2 13123539 BBRXWDUTOHHOFI-UHFFFAOYSA-O 294.375 0.395 5 40 CCBB biogenic O=[N+]([O-])c1ccc2ncnc(NC[C@@H](O)CO)c2c1 90281741 HCJPLHKKFQRGIO-MRVPVSSYSA-N 264.241 0.303 5 40 CCBB in-vitro O=C(NC[C@@H](O)C(=O)O)c1c(F)ccc([N+](=O)[O-])c1F 94190489 HAOABUBSBJCAJV-ZCFIWIBFSA-N 290.178 0.048 5 40 CCBB Cc1ccc([N+](=O)[O-])cc1N1C[C@H](C(N)=O)CC1=O 45953506 OKXRMBDCJHLAHM-MRVPVSSYSA-N 263.253 0.741 5 40 CCBB Cn1cnc2cc(N3CCOCC3)c([N+](=O)[O-])cc2c1=O 5373501 QESXONKCSJZNQQ-UHFFFAOYSA-N 290.279 0.678 5 40 CCBB CC(=O)NC(=O)C[C@H](NC(C)=O)c1ccc([N+](=O)[O-])cc1 12364211 GYQZLHLMQWTZHH-LBPRGKRZSA-N 293.279 0.825 5 40 CCBB O=[N+]([O-])c1ccc(CN[C@@H]2CCS(=O)(=O)C2)cc1 20038536 GZLGODDBTHJTPK-SNVBAGLBSA-N 270.310 0.872 5 40 CCBB Cc1[nH]nc(C(=O)N2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] 58084186 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CCN1CCN([C@@H](C)CNc2c([N+](=O)[O-])ncn2C)CC1 48325717 ZECHXOUVMCIHBF-NSHDSACASA-N 296.375 0.766 5 40 CCBB CN(C)C(=O)NCCNc1ncccc1[N+](=O)[O-] 95457399 YLUOFEAGOFBRKS-UHFFFAOYSA-N 253.262 0.673 5 40 CCBB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc([N+](=O)[O-])o1 49099290 YWQHLJWWGRPDIR-YUMQZZPRSA-N 281.268 0.914 5 40 CCBB Cc1ccc(NC(=O)C(=O)N[C@@H](C)CO)cc1[N+](=O)[O-] 32937348 TVRDMHCEWLGXOE-QMMMGPOBSA-N 281.268 0.339 5 40 CCBB O=C1N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc([N+](=O)[O-])cc1 40167212 VMGGVFOKWOHOCM-ZJUUUORDSA-N 297.292 0.290 5 40 CCBB Cc1ccc([N+](=O)[O-])c(C(=O)NCCc2nc(N)no2)c1 96449856 FZKLUNKEBVAWNW-UHFFFAOYSA-N 291.267 0.841 5 40 CCBB CC(C)NC(=O)COC(=O)c1ccc([N+](=O)[O-])o1 3314715 QXZGHJYDVYNHJG-UHFFFAOYSA-N 256.214 0.869 5 40 CCBB CN(CCO)C(=O)c1c([N+](=O)[O-])c(C(C)(C)C)nn1C 4834204 XCARYOSOOIICKX-UHFFFAOYSA-N 284.316 0.690 5 40 CCBB Cn1cnc([N+](=O)[O-])c1N1CC(OCC(F)F)C1 95409157 UUESVSKUOFAAAM-UHFFFAOYSA-N 262.216 0.799 5 40 CCBB COC(=O)C(C(=O)Cc1ccccc1[N+](=O)[O-])C(=O)OC 1630784 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WEANMYYXTQIMTQ-UHFFFAOYSA-N 268.616 0.482 5 40 CCBB Cn1cc([N+](=O)[O-])c(C(=O)N2CCN3CCC[C@@H]3C2)n1 375877 SUUSJJYAZWOCJT-SECBINFHSA-N 279.300 0.249 5 40 CCBB C[S@](=O)c1nncn1-c1ncc(Cl)cc1[N+](=O)[O-] 153757218 KDSXHJKSECCJHR-GOSISDBHSA-N 287.688 0.961 5 40 CCBB Cc1cc([N+](=O)[O-])nn1CC(=O)NCCCn1ccnc1 3094540 SMMQXBJDCUFAGJ-UHFFFAOYSA-N 292.299 0.503 5 40 CCBB COC1CN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 72314027 HBYNWGYVYNMPRK-UHFFFAOYSA-N 286.309 0.923 5 40 CCBB O=C(O)[C@@H]1CC(=O)N(CCNc2ccc([N+](=O)[O-])cc2)C1 45958694 BIYBOOPCVDQEHB-SECBINFHSA-N 293.279 0.940 5 40 CCBB Nc1nccn1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 96007021 OAZACOWGKCAIBX-UHFFFAOYSA-N 268.254 0.611 5 40 CCBB COC[C@H](O)CN(C)c1nccc(C)c1[N+](=O)[O-] 70496838 NATOWAWBMMXIOI-SECBINFHSA-N 255.274 0.742 5 40 CCBB NC(=O)CN1CCCN(c2ccc([N+](=O)[O-])cc2F)CC1 53575356 XMQGOUSQQZEQME-UHFFFAOYSA-N 296.302 0.731 5 40 CCBB Cn1ncc2c1ncn1nc(-c3n[nH]cc3[N+](=O)[O-])nc21 17009392 GHHWWLZKZHHUPF-UHFFFAOYSA-N 285.227 0.309 5 40 CCBB Cc1ncn(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(=O)c1C 195557937 OFXBDMUNFPWPPS-NSHDSACASA-N 293.283 0.026 5 40 CCBB O=C1OCCN1CCn1cc([N+](=O)[O-])ccc1=O 31672625 QMSWNMPVQRAUQU-UHFFFAOYSA-N 253.214 0.209 5 40 CCBB O=C(NC[C@H](O)c1ccc(F)c(F)c1)[C@@H]1C[C@H]1[N+](=O)[O-] 106574882 XUWJWTHIBSRQSN-ONOSFVFSSA-N 286.234 0.780 5 40 CCBB Cc1cc(N2CCOC[C@@H]2CCO)ncc1[N+](=O)[O-] 95446155 XIPUMGDSAFLZBU-JTQLQIEISA-N 267.285 0.886 5 40 CCBB C=Cn1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)n1 10119596 TVOUGIRCLSHGRJ-UHFFFAOYSA-N 260.213 0.934 5 40 CCBB O=C(CC[C@H]1NC(=O)NC1=O)Nc1cccc([N+](=O)[O-])c1 33023456 ILSVTYYQDLSBSY-SECBINFHSA-N 292.251 0.522 5 40 CCBB C[C@@H](O)CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 35119182 FTNBXTNGYLUQTN-ZCFIWIBFSA-N 294.716 0.907 5 40 CCBB O=[N+]([O-])c1cnn(CSc2nc3ncccn3n2)c1 2732306 ZYMWNMAYNOKXKF-UHFFFAOYSA-N 277.269 0.979 5 40 CCBB CNc1nc(N)c([N+](=O)[O-])c(NC[C@H]2CCCO2)n1 5155606 LUHRSSHEUUPCLF-ZCFIWIBFSA-N 268.277 0.600 5 40 CCBB CNCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 70303914 BONLDXOCBXOPDD-UHFFFAOYSA-N 273.314 0.435 5 40 CCBB COC(=O)[C@@H]1CCCN1c1ncc([N+](=O)[O-])c(N)n1 97104030 MEVWUBQREKFLHR-LURJTMIESA-N 267.245 0.109 5 40 CCBB CCOC(=O)c1cn([C@@H](C)C(=O)O)nc1[N+](=O)[O-] 408717303 YDMCKYSXBZGAAQ-YFKPBYRVSA-N 257.202 0.614 5 40 CCBB CNc1nn(-c2ccccc2[N+](=O)[O-])nc1C(=O)O 256045974 CAPZKDZWUUEANK-UHFFFAOYSA-N 263.213 0.915 5 40 CCBB Cc1c[nH]/c(=N/C(=O)c2n[nH]c(C)c2[N+](=O)[O-])[nH]1 79109957 NYZVGWLKLPVRTR-UHFFFAOYSA-N 250.218 0.332 5 40 CCBB CCS(=O)(=O)[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 96521935 YEAUSTCQFCQUNQ-GHMZBOCLSA-N 289.309 0.424 5 40 CCBB O=C(O)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 126180 GITSWRINOGOGRB-UHFFFAOYSA-N 274.254 0.348 5 40 CCBB O=C(O)CCN1C[C@@]2([N+](=O)[O-])C=CC[C@@]([N+](=O)[O-])(C1)C2 34560482 JJXVJDMAUBWCHU-MNOVXSKESA-N 285.256 0.158 5 40 CCBB O=[N+]([O-])c1ccc(N2CCOCC2)c2c1no[n+]2[O-] 5339759 VJBMAFLDXIZVDK-UHFFFAOYSA-N 266.213 0.206 5 40 CCBB COC[C@H](C)NC(=O)C(=O)Nc1ccccc1[N+](=O)[O-] 10327313 PHTILFVEPYGWCA-QMMMGPOBSA-N 281.268 0.684 5 40 CCBB Cc1cc([N+](=O)[O-])nn1C[C@H](C)C(=O)NN1CCOCC1 2787807 SUAYNAOKNGKVAI-VIFPVBQESA-N 297.315 0.099 5 40 CCBB C[C@H](C(=O)O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 3346483 CPLXXAYGPKDGDB-ZCFIWIBFSA-N 259.239 0.842 5 40 CCBB in-vitro C[C@@H](N)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 63170859 CIQHROBISPXPJJ-MRVPVSSYSA-N 273.314 0.610 5 40 CCBB O=C(N[C@H]1C=CS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 5445991 QMJRAGRIIVHCRW-VIFPVBQESA-N 282.277 0.635 5 40 CCBB O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCOCC1 19832492 AKSQZKFJUILAJZ-LLVKDONJSA-N 282.296 0.667 5 40 CCBB O=C(O)c1c([N+](=O)[O-])cc([N+](=O)[O-])c(O)c1[N+](=O)[O-] 100074119 MUQNQWRNZSFYBX-UHFFFAOYSA-N 273.113 0.815 5 40 CCBB Cc1cc([N+](=O)[O-])nn1C[C@H](C)C(=O)N1CCOCC1 2791332 NJWRZHOZMAXAJY-VIFPVBQESA-N 282.300 0.595 5 40 CCBB C[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)[C@H]1CCCO1 2778620 WLECMVOEFTVVIY-IONNQARKSA-N 268.273 0.626 5 40 CCBB C[C@@]1(C(=O)C2=NNC[C@H]2c2cccc([N+](=O)[O-])c2)CO1 1316475 VETRWRZUSPQJOB-GWCFXTLKSA-N 275.264 0.996 5 40 CCBB O=C(OCCO)c1cc(N2CCOCC2)ccc1[N+](=O)[O-] 29903202 BFRFLPWYRMRSGG-UHFFFAOYSA-N 296.279 0.581 5 40 CCBB O=c1[nH]c(NCc2ccccc2)c([N+](=O)[O-])c(=O)[nH]1 6223204 FJNSYYDHRAFITR-UHFFFAOYSA-N 262.225 0.584 5 40 CCBB CCOc1ccc(N2C[C@@H](C(N)=O)CC2=O)c([N+](=O)[O-])c1 70461194 PMBZSHNWGGCCEJ-QMMMGPOBSA-N 293.279 0.832 5 40 CCBB Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C(=O)O)C1 22158779 FMOFXMHTAXZZKM-QMMMGPOBSA-N 281.268 0.870 5 40 CCBB CN(C)CCNc1ncc([N+](=O)[O-])c(NC2CC2)n1 32803829 IXSCOYUPUWSSIY-UHFFFAOYSA-N 266.305 0.933 5 40 CCBB CCNCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 54266198 MUYBMJJLVCRXKK-UHFFFAOYSA-N 273.314 0.483 5 40 CCBB COC(=O)[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 3112206 VUCNDFSNBNCLOA-SSDOTTSWSA-N 288.281 0.435 5 40 CCBB CNC(=O)C1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 4054440 XCTMDPHQRMYIPO-UHFFFAOYSA-N 280.240 0.685 5 40 CCBB CNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 5094247 HGSGLLRGLARBIH-UHFFFAOYSA-N 265.269 0.791 5 40 CCBB CC(C)C1N2CC3([N+](=O)[O-])CN1CC([N+](=O)[O-])(C2)C3(C)C 19324219 QQRNHYFYVGVGSM-UHFFFAOYSA-N 298.343 0.671 5 40 CCBB COc1nc(/C=C/N(C)C)c([N+](=O)[O-])c(OC)n1 97831222 PIBBRKLIDJCOTC-AATRIKPKSA-N 254.246 0.934 5 40 CCBB COc1c2c(cc3c1[C@H](NC(N)=O)[N+](C)(C)CC3)OCO2 488689 XFRBCAWYUOHYEP-CYBMUJFWSA-O 294.331 0.723 5 40 CCBB biogenic C(CC[N+]12CCN(CC1)CC2)CC[N+]12CCN(CC1)CC2 1569097 VUPNTGHWYDSRNR-UHFFFAOYSA-N 294.487 0.449 5 40 CCBB O=C(O)Cn1cc([N+](=O)[O-])c(OCC(F)F)n1 408715835 FMBIMRYECGXPLS-UHFFFAOYSA-N 251.145 0.520 5 40 CCBB NC(=O)[C@@H]1CN(c2cccc(F)c2[N+](=O)[O-])CCO1 50955548 AWEGWRRDUJFFOU-VIFPVBQESA-N 269.232 0.424 5 40 CCBB O=C1CC[C@@H](C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)N1 197597278 WOXLNKXADLGXIX-JTQLQIEISA-N 292.247 0.599 5 40 CCBB O=[N+]([O-])c1ccc(N2CCOCC2)nc1N1CCOCC1 19850212 FVCHFWZZEKJNOX-UHFFFAOYSA-N 294.311 0.663 5 40 CCBB O=[N+]([O-])c1ccccc1S(=O)(=O)NCCCO 3159882 UYGHQVHALJJGDG-UHFFFAOYSA-N 260.271 0.256 5 40 CCBB N=C(Nc1ncccc1[N+](=O)[O-])N1CCC(O)CC1 225244967 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Cn1nnc(NC(=O)COc2ccc([N+](=O)[O-])cc2)n1 558061 QQDROFQKJAYIMD-UHFFFAOYSA-N 278.228 0.136 5 40 CCBB O=[N+]([O-])c1c[nH]nc1-c1cnc2c([N+](=O)[O-])cnn2c1 8397240 IYNLAXJDFBMFEJ-UHFFFAOYSA-N 275.184 0.936 5 40 CCBB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(C(=O)O)cc21 15081630 WGKLSOFTFJEFIU-UHFFFAOYSA-N 251.198 0.483 5 40 CCBB COC(=O)COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1842914 VNKMDFBXPIFARN-UHFFFAOYSA-N 284.180 0.833 5 40 CCBB Cc1nn(C)c(C(=O)N2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] 2771163 IMLCAJWCMXCUMS-YUMQZZPRSA-N 282.300 0.886 5 40 CCBB CNC(=O)NC(=O)[C@@H](C)N(C)Cc1ccccc1[N+](=O)[O-] 32825442 ANOJQUIFXFHTSX-SECBINFHSA-N 294.311 0.871 5 40 CCBB CNC(=O)[C@@H]1CCCN(c2c([N+](=O)[O-])c(C)nn2C)C1 71894530 WWPZTSKYOJWBKS-SECBINFHSA-N 281.316 0.599 5 40 CCBB Nc1nc(N2CCC[C@H](c3nc[nH]n3)C2)ncc1[N+](=O)[O-] 75094404 RZPNFBDIYWVRMV-ZETCQYMHSA-N 290.287 0.469 5 40 CCBB CNc1cc(N2CCN(C=O)CC2)ccc1[N+](=O)[O-] 7467638 BDLLSLIKYRIPKX-UHFFFAOYSA-N 264.285 0.915 5 40 CCBB NC(=O)Cn1nc([N+](=O)[O-])nc1Oc1cccc(N)c1 4708365 HKMJJZAHVHPYFJ-UHFFFAOYSA-N 278.228 0.046 5 40 CCBB C[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H](C)O1 375214 GUAVILGYBYOGLT-HTQZYQBOSA-N 268.273 0.578 5 40 CCBB O=C(NCCNC(=O)[C@H]1C[C@@H]1[N+](=O)[O-])c1ccccc1F 65490398 OAJHFWIHOOPSKW-ONGXEEELSA-N 295.270 0.337 5 40 CCBB CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 4504684 RMZHQFVSIFNICG-LLVKDONJSA-N 298.320 0.854 5 40 CCBB COC1=C[C@@]2([N+](=O)[O-])CN(C)C[C@@]([N+](=O)[O-])(C1)C2 12577857 QGKJNPIPLRNFRF-VHSXEESVSA-N 257.246 0.287 5 40 CCBB CNc1nc(N)c([N+](=O)[O-])c(N2C[C@H](C)O[C@H](C)C2)n1 13777043 DMNMEKJNOMFOMC-KNVOCYPGSA-N 282.304 0.622 5 40 CCBB Cc1ccc(N[C@H]2C[C@H](O)[C@H](CO)O2)cc1[N+](=O)[O-] 4358213 MBXAQKREJCGGLD-SDDRHHMPSA-N 268.269 0.783 5 40 CCBB C[C@H]1C=C[C@]2([N+](=O)[O-])CN(C)C[C@]1([N+](=O)[O-])[C@@H]2C 100143327 ODIZRZKFOUMOQL-ZRUFSTJUSA-N 255.274 0.805 5 40 CCBB COC(=O)C(C(=O)OC)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2507234 YFDXRBRLHPIEKO-UHFFFAOYSA-N 298.207 0.933 5 40 CCBB COC(=O)c1cc([N+](=O)[O-])c(-n2cnnc2)c([N+](=O)[O-])c1 8818258 KCNFHCTUGCBALN-UHFFFAOYSA-N 293.195 0.870 5 40 CCBB O=C(Nc1ccccc1[N+](=O)[O-])C1=NN=C[C@H]1[N+](=O)[O-] 5717371 ZRQBUAFMWYJQHR-MRVPVSSYSA-N 277.196 0.619 5 40 CCBB Cn1cnc([N+](=O)[O-])c1Sc1nccc(=O)[nH]1 1622258 GYNMAAFHDIRDFZ-UHFFFAOYSA-N 253.243 0.563 5 40 CCBB O=[N+]([O-])c1cnccc1N1C[C@@H](O)[C@H](N2CCCC2)C1 71922361 MJJZMGCKJVDONT-CHWSQXEVSA-N 278.312 0.635 5 40 CCBB COC(=O)CC(=O)NC(=O)c1ccc([N+](=O)[O-])cc1 5354243 SNVPIOXZGPHISA-UHFFFAOYSA-N 266.209 0.414 5 40 CCBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)O 10327994 ZPTQIXBFVGJGSN-QMMMGPOBSA-N 281.268 0.339 5 40 CCBB COc1cc(/C=C2/NC(=O)NC2=O)c([N+](=O)[O-])cc1OC 73102 QJPAIGNTJMFCHX-XVNBXDOJSA-N 293.235 0.792 5 40 CCBB COc1cc(C(=O)OCC(N)=O)c([N+](=O)[O-])cc1OC 3512917 BJEZISQHYYAXJS-UHFFFAOYSA-N 284.224 0.254 5 40 CCBB CCOc1cc(-c2nnn[nH]2)cc([N+](=O)[O-])c1O 12411400 JDHALRHCDDDTDN-UHFFFAOYSA-N 251.202 0.879 5 40 CCBB Cc1cc(C)nc(NNc2ncnc(N)c2[N+](=O)[O-])n1 9090280 GZLAJSKIMXYXPF-UHFFFAOYSA-N 276.260 0.813 5 40 CCBB NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(O)CC1 40511135 NXQNOIKJKZUXPB-UHFFFAOYSA-N 266.257 0.050 5 40 CCBB O=C(O)[C@@H]1C(=O)Oc2c(cccc2[N+](=O)[O-])[C@H]1O 1705135 QTLKWSZXEBWSAU-RNFRBKRXSA-N 253.166 0.248 5 40 CCBB N[C@H](CSCC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 27525912 XOAMWMIHWGZFGJ-SECBINFHSA-N 284.293 0.923 5 40 CCBB CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 18192843 DKNCVRBRUTZGPU-UHFFFAOYSA-N 255.186 0.958 5 40 CCBB C[C@@H](OC(=O)N[C@@H](CO)C(=O)O)c1ccccc1[N+](=O)[O-] 96118919 VLTUKZSEJOZWJB-APPZFPTMSA-N 298.251 0.828 5 40 CCBB CN1C(=O)N/C(=C/c2cc([N+](=O)[O-])ccc2O)C1=O 409191636 ZRXREQWYUSOIPH-VMPITWQZSA-N 263.209 0.823 5 40 CCBB NC(=O)N1CCC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 95962914 AGMYYMDRMCNDLN-MRVPVSSYSA-N 265.273 0.945 5 40 CCBB O=[N+]([O-])c1c(N2C[C@@H](O)C[C@@H]2CO)nc2ccccn12 89878843 WVFSICLMGLRNSJ-BDAKNGLRSA-N 278.268 0.174 5 40 CCBB COC(=O)c1ccc(Sc2nncn2N)c([N+](=O)[O-])c1 70462342 JXLGCSBYYRSOTE-UHFFFAOYSA-N 295.280 0.838 5 40 CCBB CN([N+](=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1757912 UKMIGODJFKRPMU-UHFFFAOYSA-N 261.215 0.407 5 40 CCBB CCn1c2nc(=O)n(C)c(=O)c-2[n+]([O-])c2cc(C)ccc21 1859157 XVGIKFYIGCZCMA-UHFFFAOYSA-N 286.291 0.162 5 40 CCBB N[C@@H](CSc1ccc([N+](=O)[O-])cc1)C(=O)NCC(=O)O 2381661 AUOSLSVROHYSSK-VIFPVBQESA-N 299.308 0.215 5 40 CCBB C[C@H](Sc1ncccc1[N+](=O)[O-])C(=O)NC(N)=O 65519718 LRMKOZLKCJCOPM-YFKPBYRVSA-N 270.270 0.665 5 40 CCBB COC(=O)COc1cc2c(cc1[N+](=O)[O-])OCO2 96191744 VINBISLEPJNBGF-UHFFFAOYSA-N 255.182 0.875 5 40 CCBB Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1cnnn1 57561671 HGDFLGBHTDDYCV-UHFFFAOYSA-N 262.229 0.528 5 40 CCBB O=c1nc2n(CCO)c3ccccc3cc-2c(=O)[nH]1 1703515 HJQPCTOFNISCCQ-UHFFFAOYSA-N 257.249 0.182 5 40 CCBB CN([N+](=O)[O-])S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 3206562 KSOHMFUIZMGWJT-UHFFFAOYSA-N 275.242 0.548 5 40 CCBB Cc1nn(C)c(N2CCc3[nH]ncc3C2)c1[N+](=O)[O-] 95397323 JKVYDEAETICHAL-UHFFFAOYSA-N 262.273 0.923 5 40 CCBB Cc1ccnc(NCCCn2cnnc2O)c1[N+](=O)[O-] 585141545 CQTDUWVFBJHSNJ-UHFFFAOYSA-N 278.272 1.098 5 40 CCBB COC(=O)[C@H](C)OC(=O)c1ccc(N)c([N+](=O)[O-])c1 12606285 HWTOTYSDVYSEON-LURJTMIESA-N 268.225 0.895 5 40 CCBB COC(=O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H](C)O 4017061 BVBFXLSRAGMSDA-QUBYGPBYSA-N 299.239 0.837 5 40 CCBB Cc1ccc([N+](=O)[O-])cc1N[C@H]1CS(=O)(=O)C[C@@H]1O 31773385 DDEHTPZHCAVLEM-QWRGUYRKSA-N 286.309 0.473 5 40 CCBB COC[C@@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 10325473 MNZBLZDLVGXPAQ-MRVPVSSYSA-N 281.268 0.684 5 40 CCBB Cn1cc([N+](=O)[O-])c(C(=O)NCCCn2cccn2)n1 2780524 VAAZMESBCPAIKK-UHFFFAOYSA-N 278.272 0.345 5 40 CCBB CC(=O)N1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 27476135 RVKHUSIJBOGXGT-UHFFFAOYSA-N 291.307 0.828 5 40 CCBB COC(=O)C(C)(C(=O)OC)c1ccc([N+](=O)[O-])cn1 4054145 DRRSHNFSYZFAIT-UHFFFAOYSA-N 268.225 0.594 5 40 CCBB COC(=O)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 45298113 BGOIPQAVSCUFHJ-UHFFFAOYSA-N 278.224 0.374 5 40 CCBB O=C(O)c1cc2ncc(-n3cc([N+](=O)[O-])cn3)cn2n1 49635 OZIVHXXZQWCEOT-UHFFFAOYSA-N 274.196 0.521 5 40 CCBB CN(Cc1cnn(C)c1)C(=O)CCn1ccc([N+](=O)[O-])n1 2770918 PIUHKSHBGRAWHA-UHFFFAOYSA-N 292.299 0.574 5 40 CCBB COc1ccc([C@H]2[C@@H](O)[C@H](O)[C@H](C)[N+]2(C)C)cc1OC 5881434 QGJMCYCZPPSDJM-ISGRIPCHSA-N 282.360 0.945 5 40 CCBB Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1S(N)(=O)=O 4118713 HLJIJDAXQWLCSD-UHFFFAOYSA-N 261.215 0.459 5 40 CCBB O=C(O)[C@H]1C(=O)Oc2c(cccc2[N+](=O)[O-])[C@@H]1O 5004392 QTLKWSZXEBWSAU-BQBZGAKWSA-N 253.166 0.248 5 40 CCBB COC(=O)[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])cc1C 95942128 VWJXKGKQGPHODQ-ZDUSSCGKSA-N 296.279 0.557 5 40 CCBB CCCn1ccc2nc3ccn(N)c(=O)c3cc2c1=O 40398604 JYJCOHRQLVEVEO-UHFFFAOYSA-N 270.292 0.835 5 40 CCBB Cc1cccc([N+](=O)[O-])c1C(=O)O[C@@H](C)C(N)=O 26116942 LMKNZIGKMWDXQS-ZETCQYMHSA-N 252.226 0.934 5 40 CCBB O=C(COc1ccccc1[N+](=O)[O-])O[C@@H]1CCOC1=O 3245098 GAUGCHMRUJWUOE-SNVBAGLBSA-N 281.220 0.832 5 40 CCBB O=[N+]([O-])c1ccc(C[N+]23CN4CN(CN(C4)C2)C3)cc1 19321736 YQEYXAVWOGJZIY-UHFFFAOYSA-N 276.320 0.603 5 40 CCBB CCc1nnc(NC(=O)Cn2ccc([N+](=O)[O-])n2)s1 59265765 QOKJRBZZFKRBAH-UHFFFAOYSA-N 282.285 0.844 5 40 CCBB CN1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 69517108 FRWVFHYMEYXWRA-UHFFFAOYSA-N 297.286 0.887 5 40 CCBB CON1C(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O 4042328 NRZGBPQEHPAXEI-UHFFFAOYSA-N 279.208 0.447 5 40 CCBB CCCn1nnc(NC(=O)c2ccc([N+](=O)[O-])o2)n1 14258564 BAKRGDARBFWQHQ-UHFFFAOYSA-N 266.217 0.837 5 40 CCBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)O 35119177 LWVZLDSJFAGACL-MRVPVSSYSA-N 274.298 0.562 5 40 CCBB O=C(O)/C=C\C(=O)NCCNc1ccccc1[N+](=O)[O-] 65090436 HFOCXAIIQLPRPN-WAYWQWQTSA-N 279.252 0.764 5 40 CCBB COc1c2c(cc3c1[C@@H](NC(N)=O)[N+](C)(C)CC3)OCO2 488688 XFRBCAWYUOHYEP-ZDUSSCGKSA-O 294.331 0.723 5 40 CCBB biogenic CCCNCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 54266465 MWCWTDLUXGLUFC-UHFFFAOYSA-N 287.341 0.873 5 40 CCBB O=C(NC[C@H]1CCCO1)C(=O)Nc1ccccc1[N+](=O)[O-] 5251412 SRZHXVKVAFHBDA-SECBINFHSA-N 293.279 0.829 5 40 CCBB COc1ccccc1NC(=O)Cn1cnc([N+](=O)[O-])n1 76413 ARUWGFBKYWFXFT-UHFFFAOYSA-N 277.240 0.834 5 40 CCBB O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2n1CCCN=2 13143141 FRDAAVRIVNZSOL-FLIBITNWSA-N 289.316 0.670 5 40 CCBB NC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] 65607316 FQULZGNYBVEVLG-MIMYLULJSA-N 275.264 0.095 5 40 CCBB C[C@@H](O)CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 10325509 BSBSIHCGPZFNAT-SSDOTTSWSA-N 267.241 0.030 5 40 CCBB CN1C=CC(C(=O)NCC[N+](C)(C)C)=C/C1=C/N=O 38169626 XUAYSZSGAXLHNT-BENRWUELSA-O 265.337 0.802 5 40 CCBB Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCO1 72209509 LRBGXFZLLIKBMB-SSDOTTSWSA-N 254.246 0.237 5 40 CCBB Nc1nc(N(CCO)Cc2cccnc2)ncc1[N+](=O)[O-] 75148731 KJRVVYVSGFAKSJ-UHFFFAOYSA-N 290.283 0.361 5 40 CCBB Cc1nc(Cn2cc([N+](=O)[O-])c(C)cc2=O)no1 96474498 NNONNPRXFMMRGE-UHFFFAOYSA-N 250.214 0.805 5 40 CCBB CC(C)(O)C(C)(C)OB(O)c1cccc([N+](=O)[O-])c1F 200330241 NDLFIJZTXCDUGP-UHFFFAOYSA-N 285.080 0.988 5 40 CCBB Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n(N)c1=O 2455516 SVWFOZWCJHAJCK-UHFFFAOYSA-N 293.308 0.861 5 40 CCBB COC(=O)CN1CCN(c2ccncc2[N+](=O)[O-])CC1 66797631 HOTAMDWWMKGOKO-UHFFFAOYSA-N 280.284 0.285 5 40 CCBB NCCCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] 97229296 WOFGPXYAGUKVCX-UHFFFAOYSA-N 293.732 0.875 5 40 CCBB COC(=O)c1cc2c(c([N+](=O)[O-])c1)OCC(=O)N2 4697949 VEYOIWCTYKIDOE-UHFFFAOYSA-N 252.182 0.712 5 40 CCBB CN(C)C(C)(C)CNC(=O)NCCn1cc([N+](=O)[O-])cn1 95426856 FJMGJVWIFAPPQA-UHFFFAOYSA-N 298.347 0.431 5 40 CCBB NC(=O)c1ccc[n+](-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 4984460 VWHZJMOVQGPJPN-UHFFFAOYSA-O 289.227 0.879 5 40 CCBB CN1CC(=O)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1=O 16746829 WXPPXTSPYJZZET-UHFFFAOYSA-N 292.251 0.088 5 40 CCBB in-vitro NCCNc1cc(N2CCOCC2)ccc1[N+](=O)[O-] 5394766 GCUDGMXQLZOGMG-UHFFFAOYSA-N 266.301 0.802 5 40 CCBB O=C(O)CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1675884 PJZXWXFIUIDMBP-UHFFFAOYSA-N 269.169 0.317 5 40 CCBB CONC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 32845268 YRPKENPNSAXWKO-UHFFFAOYSA-N 281.268 0.723 5 40 CCBB Nc1nc(NCCO)nc(N2CCCCC2)c1[N+](=O)[O-] 5025294 PHOHRXBORSRJED-UHFFFAOYSA-N 282.304 0.362 5 40 CCBB C[N+]1(C[C@@H](O)CN2CCCC2=O)CCCCCC1 28364 IDXUNRLQXMDQAI-ZDUSSCGKSA-N 255.382 0.990 5 40 CCBB CCn1c(=N)c(C(N)=O)cc2c(=O)n3ccccc3nc21 100088410 KLSGSSQFMAOPDA-UHFFFAOYSA-N 283.291 0.247 5 40 CCBB Cn1ccnc1Sc1ncc([N+](=O)[O-])c(N)n1 76266959 PMCQQFVMYFYDSK-UHFFFAOYSA-N 252.259 0.852 5 40 CCBB CCOC(Nc1ncnc(N)c1[N+](=O)[O-])OCC 26802582 LAKXCEJPJNMNBZ-UHFFFAOYSA-N 257.250 0.736 5 40 CCBB CS(=O)(=O)NCCNc1ccccc1[N+](=O)[O-] 5353489 HPNDTXOGSGLBEE-UHFFFAOYSA-N 259.287 0.556 5 40 CCBB O=[N+]([O-])c1cc2c(cc1S(=O)(=O)O)OCCO2 66055384 OOBMMEJATOHMNV-UHFFFAOYSA-N 261.211 0.613 5 40 CCBB NC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2C(=O)O)CC1 15443115 WNIUPGDWCZXMDY-UHFFFAOYSA-N 293.279 0.995 5 40 CCBB Cn1c(=O)c2c(C(=O)O)c3ccccc3nc2n(C)c1=O 616580901 FTEREAKRFOLNSK-UHFFFAOYSA-N 285.259 0.484 5 40 CCBB CC1([N+](=O)[O-])COC2(OC1)C(=O)Nc1ccccc12 4126877 ONKBAMLOIQUFGR-UHFFFAOYSA-N 264.237 0.874 5 40 CCBB Cc1cc([N+](=O)[O-])ccc1N[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O 3999704 SMOCAIOGNVIDED-UKBIYJAHSA-N 298.295 0.143 5 40 CCBB biogenic CCNC1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc21 59383171 HKDQWYUMQRTAGK-UHFFFAOYSA-N 255.255 0.653 5 40 CCBB C[S@](=O)c1nncn1-c1ccccc1[N+](=O)[O-] 71905817 VVLXBJIEBQVQIU-QGZVFWFLSA-N 252.255 0.913 5 40 CCBB CC(C)[C@@H]1CN1C[C@H](O)Cn1ccnc1[N+](=O)[O-] 5114472 IOLDQEUSULQVRY-GYJNLRRWSA-N 254.290 0.492 5 40 CCBB CCOC(=O)[C@H](N)[C@H](O)c1cccc([N+](=O)[O-])c1 19797977 YZJDYGCJJIEVBN-NXEZZACHSA-N 254.242 0.519 5 40 CCBB CC(C)CN(CC(N)=O)c1ccc([N+](=O)[O-])cn1 89840113 ZXKKEMLIALQUTC-UHFFFAOYSA-N 252.274 0.938 5 40 CCBB N[C@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 19874307 HPDQDPOKFQFIBA-VIFPVBQESA-N 285.325 0.707 5 40 CCBB CCOC(=O)C[S@@](=O)Cn1nc([N+](=O)[O-])cc1C 12395809 IFHKLQFZNXLVPA-SFHVURJKSA-N 275.286 0.369 5 40 CCBB C[C@H](CC(=O)O)NC(=O)COc1cccc([N+](=O)[O-])c1 37457209 PYFJLSOYYFIJFV-MRVPVSSYSA-N 282.252 0.953 5 40 CCBB O=C(O)Cn1cc([N+](=O)[O-])c(OCC(F)(F)F)n1 408716481 NOGNMCNPGCYFJE-UHFFFAOYSA-N 269.135 0.817 5 40 CCBB O=C(O)c1nn(-c2ccc(Cl)cn2)nc1[N+](=O)[O-] 89263473 NCBKEOZNTCBYTP-UHFFFAOYSA-N 269.604 0.922 5 40 CCBB C=Cn1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)n1 10119602 HZYCGJQRIIJQDI-UHFFFAOYSA-N 260.213 0.934 5 40 CCBB O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNC1CC1 54266985 TXNMIAPNKFHFGC-UHFFFAOYSA-N 285.325 0.625 5 40 CCBB CONC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 10586128 ZKHWPDKIRDUQPC-UHFFFAOYSA-N 280.284 0.988 5 40 CCBB NCC(=O)N1CCC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 1570009107 AQKDQRFBFWSQDH-NSHDSACASA-N 292.295 0.483 5 40 CCBB O=[N+]([O-])c1ccc(N[C@H]2CCS(=O)(=O)C2)nc1 12896020 KASCYTALVNMDDI-ZETCQYMHSA-N 257.271 0.589 5 40 CCBB CN1C(=O)[C@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)NN(C)[C@@H]2C1=O 170621021 GTXWHSJHZYYLNH-AXFHLTTASA-N 290.279 0.069 5 40 CCBB CCOc1ccc(C(=O)OCC(=O)NC)cc1[N+](=O)[O-] 19004823 OJODQDOAGJOIPM-UHFFFAOYSA-N 282.252 0.896 5 40 CCBB CSC[C@@H](CCO)Nc1c([N+](=O)[O-])ncn1C 72293870 ABBWLKHWVWQYFT-SSDOTTSWSA-N 260.319 0.854 5 40 CCBB CN(C)CCNC(=O)Cc1ccccc1[N+](=O)[O-] 13647075 IEDULBJWMUXLDC-UHFFFAOYSA-N 251.286 0.815 5 40 CCBB Cn1cnnc1Sc1ncnc(N)c1[N+](=O)[O-] 4059611 IFGZDXISMJQNLH-UHFFFAOYSA-N 253.247 0.247 5 40 CCBB Cn1nc(C(=O)O)c(Br)c1[N+](=O)[O-] 4014789 FXVAFLWTYAMIKF-UHFFFAOYSA-N 250.008 0.789 5 40 CCBB O=[N+]([O-])c1ncn(C[C@H](O)COCc2cccs2)n1 95438917 FDMPXDGDQAODHU-QMMMGPOBSA-N 284.297 0.826 5 40 CCBB CCn1c(=N)c(C(N)=O)cc2c(=O)n3cccc(C)c3nc21 100088453 JLUSOOHLYQZEQN-UHFFFAOYSA-N 297.318 0.556 5 40 CCBB CCOC(=O)C(=CNCC[N+](C)(C)C)C(=O)OCC 105006531 VIJYSJQSXGHSMW-UHFFFAOYSA-O 273.353 0.292 5 40 CCBB NCCCNc1nc(N)c([N+](=O)[O-])c(N2CCCC2)n1 5249584 QDCRWKAOOBZBGM-UHFFFAOYSA-N 281.320 0.328 5 40 CCBB COc1ncc(B(O)OC(C)(C)C(C)(C)O)cc1[N+](=O)[O-] 685936013 VBZWSIOGXXPLTQ-UHFFFAOYSA-N 298.104 0.252 5 40 CCBB O=[N+]([O-])c1cc(-n2cnnn2)ccc1N1CCOCC1 4320349 LEVBLMAYWFGLOX-UHFFFAOYSA-N 276.256 0.407 5 40 CCBB C[C@]1(C(=O)C2=NNC[C@@H]2c2cccc([N+](=O)[O-])c2)CO1 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NS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCCC2)s1 4363504 LXGQLRWMWYNQPV-UHFFFAOYSA-N 277.327 0.904 5 40 CCBB C[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 2777773 NSVFNEMMHOLHCF-UWVGGRQHSA-N 282.300 0.817 5 40 CCBB Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCN)c1C 195544464 WDUOIXQWRBLJAQ-UHFFFAOYSA-N 273.314 0.449 5 40 CCBB C[C@H]1CNC[C@H](C)N1S(=O)(=O)c1ccccc1[N+](=O)[O-] 69133575 LXDGUIJPAWCJTM-UWVGGRQHSA-N 299.352 0.966 5 40 CCBB CN(CCO)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 37859067 RHIOKYLBIONMEU-UHFFFAOYSA-N 294.716 0.861 5 40 CCBB CCn1cc(C(=O)NCCn2cc([N+](=O)[O-])cn2)cn1 2781734 BARVUZOXGDARIL-UHFFFAOYSA-N 278.272 0.438 5 40 CCBB Cc1c/c(=N\O)c2c(O)c([N+](=O)[O-])coc-2[n+]1[O-] 104211984 LJIMYXDMFDUHIU-BJMVGYQFSA-N 253.170 0.230 5 40 CCBB COC(=O)c1cc([N+](=O)[O-])cc(S(=O)(=O)O)c1 2187272 RKFOZMFIHPCRPZ-UHFFFAOYSA-N 261.211 0.628 5 40 CCBB NNc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 3885812 TXHCQSRNEQKTHH-UHFFFAOYSA-N 286.313 0.665 5 40 CCBB in-vitro O=C(Cn1cc([N+](=O)[O-])cn1)NC(=O)NC1CCCCC1 298197102 BSBSRKIJTMUXAY-UHFFFAOYSA-N 295.299 0.950 5 40 CCBB COCCNc1ncc([N+](=O)[O-])c(NCCOC)n1 5000451 LWOOPRWDHMCZAP-UHFFFAOYSA-N 271.277 0.501 5 40 CCBB Cc1ccc([N+](=O)[O-])cc1N[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]1O 3878465 ZKCLGQZHQXASOJ-DTLAIGMKSA-N 298.295 0.143 5 40 CCBB COC(=O)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 3173772 VDPZUMTVVFBTCF-ZCFIWIBFSA-N 297.223 0.794 5 40 CCBB C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 65548779 UTVBRPCYHNRFHL-MRVPVSSYSA-N 299.308 0.104 5 40 CCBB O=C(Nn1cnnc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 3093710 WFHNBMNEFJOHRC-UHFFFAOYSA-N 278.184 0.478 5 40 CCBB CN(CC(=O)NC1CC1)c1ncccc1[N+](=O)[O-] 17282323 VVUWTVNAYDUPOV-UHFFFAOYSA-N 250.258 0.705 5 40 CCBB COCCn1ccc2ncc3c(=O)n(C)ccc3c2c1=O 72324732 INUGJLMVIZRNIG-UHFFFAOYSA-N 285.303 0.895 5 40 CCBB biogenic CN1C=CC=C/C1=C(/N=O)C(=O)NCC[N+](C)(C)C 135882905 VVJFHSHJRIIQRZ-QXMHVHEDSA-O 265.337 0.802 5 40 CCBB N=C(Nc1ccc([N+](=O)[O-])cn1)N1CCC(N)CC1 225239717 STLJSNYXAZOLNM-UHFFFAOYSA-N 264.289 0.760 5 40 CCBB CCS(=O)(=O)[C@H](CO)[C@H](O)c1cccc([N+](=O)[O-])c1 96521960 LSIAVVCDIVZJOE-GHMZBOCLSA-N 289.309 0.424 5 40 CCBB COC(=O)[C@H](O)CNC(=O)Nc1ccc([N+](=O)[O-])cc1 95452918 FRGUUSQZZUZZIB-SECBINFHSA-N 283.240 0.250 5 40 CCBB Nc1c([N+](=O)[O-])ccc2c1=NC1(CCCCC1)[N+]=2[O-] 4277179 ZBZYHBIWJROXFC-UHFFFAOYSA-N 262.269 0.460 5 40 CCBB COC(=O)COc1cccc(OCC(=O)OC)c1[N+](=O)[O-] 115315603 GHDPGWMMALAKKJ-UHFFFAOYSA-N 299.235 0.698 5 40 CCBB CN1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])o2)CC1 29589793 QKTRIGNWBRHBFV-RQOWECAXSA-N 265.269 0.975 5 40 CCBB Cn1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C(N)=O)n1 2795319 JRQHHPOCSGFSTJ-UHFFFAOYSA-N 289.251 0.680 5 40 CCBB C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)CN1C 95454187 NNXMTZCRMBVIHR-WZRBSPASSA-N 297.359 0.177 5 40 CCBB CC1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 96474323 QJMFRHAJOCEWRT-ZDUSSCGKSA-N 295.339 0.849 5 40 CCBB O=C(O)CCCn1cc(-n2cc([N+](=O)[O-])cn2)cn1 685936752 VKDMYSPARCRCON-UHFFFAOYSA-N 265.229 0.842 5 40 CCBB O=C1NC(=O)[C@]2(CCCc3c([N+](=O)[O-])cccc32)N1 5639715 PICBBORGJGXVKD-GFCCVEGCSA-N 261.237 0.966 5 40 CCBB NS(=O)(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 258837258 RJLCRBPCZCUPMR-UHFFFAOYSA-N 268.197 0.844 5 40 CCBB CC(=O)Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1 20154193 KQRANICFWQPKEG-UHFFFAOYSA-N 264.285 0.963 5 40 CCBB COC(=O)[C@@H](C)n1nnc(-c2ccc([N+](=O)[O-])cc2)n1 422709 CFRCDMBFSXYPIO-SSDOTTSWSA-N 277.240 0.982 5 40 CCBB Cc1c(CN2CCOC[C@H]2C(N)=O)cccc1[N+](=O)[O-] 92230114 QYUDOGQUWGMGJT-LBPRGKRZSA-N 279.296 0.589 5 40 CCBB COC(=O)c1cc(C(=O)OCC(N)=O)cc([N+](=O)[O-])c1 3275487 KHGPXCGSRIETIZ-UHFFFAOYSA-N 282.208 0.024 5 40 CCBB O=C(Nc1ncnc2ncnn12)c1ccc([N+](=O)[O-])cc1 20674164 CBVBBOUTPZVCCK-UHFFFAOYSA-N 285.223 0.680 5 40 CCBB O=C(Cn1cc([N+](=O)[O-])cn1)NCCc1ccccn1 4707244 MMFSQOQCODTPSX-UHFFFAOYSA-N 275.268 0.545 5 40 CCBB Nc1nc(N(C[C@H]2CCOC2)C2CC2)ncc1[N+](=O)[O-] 97145580 CXMCOEFTUVKRSC-MRVPVSSYSA-N 279.300 0.972 5 40 CCBB COCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 13939058 OQOZANNWJKFFAO-UHFFFAOYSA-N 274.298 0.910 5 40 CCBB Cn1c(Cc2ccccc2)c([N+](=O)[O-])c(=O)n(C)c1=O 1559177 QNOCUFSQMVHQJU-UHFFFAOYSA-N 275.264 0.583 5 40 CCBB CN(C(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 4504680 RRGLJLZJHURFMO-SECBINFHSA-N 298.320 0.854 5 40 CCBB O=[N+]([O-])c1cc([N+](=O)[O-])c(OCCO)cc1OCCO 3844564 ZZQQZTCIPRJVJJ-UHFFFAOYSA-N 288.212 0.245 5 40 CCBB COC(=O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](C)O 4017060 BVBFXLSRAGMSDA-LDWIPMOCSA-N 299.239 0.837 5 40 CCBB CN([C@@H]1CCNC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 71310259 JAHDNLRSRKVVNC-SNVBAGLBSA-N 285.325 0.577 5 40 CCBB Cc1[nH]c2nc(C(F)(F)F)nn2c(=O)c1[N+](=O)[O-] 100020037 CYTBPGKQBBFHSR-UHFFFAOYSA-N 263.135 0.653 5 40 CCBB C[N+](C)(C)CCOC(=O)[C@@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23 104184159 MMEPWGLLFVENFB-LVEVGFFFSA-N 268.333 0.433 5 40 CCBB C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N)C(N)=O 12610142 BFFVOGXDMCGHAO-RXMQYKEDSA-N 253.214 0.208 5 40 CCBB CNC(=O)c1cc(N2CCC(O)CC2)ccc1[N+](=O)[O-] 48835709 YATAKFOFTYRESF-UHFFFAOYSA-N 279.296 0.916 5 40 CCBB O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCN2)cc1 53254441 AGNKJVPNLSZRIV-VIFPVBQESA-N 285.325 0.625 5 40 CCBB C[C@H]1CN(C(=O)CCn2cnc([N+](=O)[O-])c2)C[C@H](C)O1 24264028 XBULSHFFBGLLFR-UWVGGRQHSA-N 282.300 0.817 5 40 CCBB CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 3893012 XXSQBZOZXUTQEQ-NSHDSACASA-N 298.320 0.854 5 40 CCBB Cn1cc(Cl)c(C(=O)NCCn2cc([N+](=O)[O-])cn2)n1 2776952 QORFLKJPTGDDHS-UHFFFAOYSA-N 298.690 0.608 5 40 CCBB NC(=O)CN1CCCN(c2ccccc2[N+](=O)[O-])CC1 49321104 GQHCRYVRKHGQBR-UHFFFAOYSA-N 278.312 0.592 5 40 CCBB C[C@]1(C(=O)O)Oc2cc([N+](=O)[O-])ccc2NC1=O 8729845 VSIBSIMWHCCJBI-JTQLQIEISA-N 252.182 0.769 5 40 CCBB in-vitro CCN([C@@H]1CCNC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 71312726 FPWADPTWXUKNQR-SNVBAGLBSA-N 299.352 0.967 5 40 CCBB NC[C@@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 44528920 UNGROQPNEVEXMK-JTQLQIEISA-N 299.352 0.954 5 40 CCBB Nc1nc(NCCCn2ccnc2)ncc1[N+](=O)[O-] 56908486 FCWNEHXGCFUFNA-UHFFFAOYSA-N 263.261 0.666 5 40 CCBB C[C@H]1CNC[C@H](C)N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 69133754 IXHMEKMZLXMKTI-UWVGGRQHSA-N 299.352 0.966 5 40 CCBB COC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1N 34403635 PQJSTSFLYBWYGO-LURJTMIESA-N 267.241 0.468 5 40 CCBB NCCCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 97229268 QJJYTUCEFVEKJP-UHFFFAOYSA-N 293.732 0.875 5 40 CCBB Cc1c([N+](=O)[O-])cnn1CCC(=O)NCc1cnn(C)c1 2794036 QYXTVVGBBCAVNA-UHFFFAOYSA-N 292.299 0.540 5 40 CCBB NS(=O)(=O)CCCNc1ccc([N+](=O)[O-])cn1 44350744 NKWCPXNJTYWRCO-UHFFFAOYSA-N 260.275 0.080 5 40 CCBB NC(=O)C1CCN(c2ncccc2[N+](=O)[O-])CC1 18217959 IUCLFDYHPORJNR-UHFFFAOYSA-N 250.258 0.692 5 40 CCBB CS(=O)(=O)NCC(=O)OCc1ccc([N+](=O)[O-])cc1 239563011 PSXAQQAARZFOSF-UHFFFAOYSA-N 288.281 0.187 5 40 CCBB CC(C)(C(N)=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 52521575 VUGWHBVWPXSHLY-UHFFFAOYSA-N 292.339 0.981 5 40 CCBB C[C@H](C(N)=O)N1CCN(c2sccc2[N+](=O)[O-])CC1 95986666 CAVWUECHCQAJDF-MRVPVSSYSA-N 284.341 0.652 5 40 CCBB COC1=CC[C@@]2([N+](=O)[O-])CN(C)C[C@]1([N+](=O)[O-])C2 34890105 ORVXXXBXSDPROG-VHSXEESVSA-N 257.246 0.287 5 40 CCBB O=C(O)CCS(=O)(=O)c1cccc([N+](=O)[O-])c1 36694 WGTYUWGXSFFWOI-UHFFFAOYSA-N 259.239 0.843 5 40 CCBB CCOC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])c(N)n1 19419594 GENQDURLJPHIAX-ZCFIWIBFSA-N 255.230 0.902 5 40 CCBB O=C(O)CCNS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 20010120 HWAPJZNXRUDTNB-UHFFFAOYSA-N 292.244 0.487 5 40 CCBB C[C@H](Cn1cc([N+](=O)[O-])cn1)C(=O)N1CCOCC1 2791309 XEKJASMKDNOGHN-SECBINFHSA-N 268.273 0.286 5 40 CCBB O=[N+]([O-])c1cccc(F)c1CN1CCN(CCO)CC1 69707823 ILOIJUPISZUISZ-UHFFFAOYSA-N 283.303 0.844 5 40 CCBB O=C(Nc1n[nH]c(C2CCC2)n1)c1n[nH]cc1[N+](=O)[O-] 95940278 MDOSKBMFQCHZSU-UHFFFAOYSA-N 277.244 0.956 5 40 CCBB CCOc1ccc(N2C[C@H](C(N)=O)CC2=O)c([N+](=O)[O-])c1 70461193 PMBZSHNWGGCCEJ-MRVPVSSYSA-N 293.279 0.832 5 40 CCBB O=c1c([N+](=O)[O-])cccn1CCOC[C@@H]1CCCO1 96430160 XETUXSDBSPZSSG-JTQLQIEISA-N 268.269 0.952 5 40 CCBB CC(=O)Nc1cc([N+](=O)[O-])c(C(=O)O)cc1C(=O)O 5383134 PVKBHMXHHRPTAV-UHFFFAOYSA-N 268.181 0.950 5 40 CCBB O=[N+]([O-])c1cccc(N[C@@H]2CS(=O)(=O)C[C@H]2O)c1 19862490 VRBAFFNLGRKXPC-NXEZZACHSA-N 272.282 0.165 5 40 CCBB CN(C)c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)c(=O)n2C 4708967 YQCXIGXRZNGOFU-UHFFFAOYSA-N 278.268 0.211 5 40 CCBB CN(C[C@H]1CCOC1)c1ncc([N+](=O)[O-])c(N)n1 96453837 IGRUNVFUHBZKRR-SSDOTTSWSA-N 253.262 0.440 5 40 CCBB CC(=O)NCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 32796760 ZBQFJIYQDRXTBS-UHFFFAOYSA-N 291.267 0.337 5 40 CCBB COc1cc([N+](=O)[O-])cc(/C=C2\NC(=O)NC2=O)c1O 100276308 OTQVLHHOICBIES-CLTKARDFSA-N 279.208 0.489 5 40 CCBB O=c1[nH]c(O)nc(-c2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-] 4114402 NKRJIWMILLGQSJ-UHFFFAOYSA-N 278.180 0.959 5 40 CCBB CS(=O)(=O)CCn1cnc(-c2cccc([N+](=O)[O-])c2)n1 96435836 AHYSDAJXVHOJJF-UHFFFAOYSA-N 296.308 0.898 5 40 CCBB CCn1cc([N+](=O)[O-])c(-n2cc(C(=O)O)cn2)n1 253402282 OCKWVSXCOUAZPE-UHFFFAOYSA-N 251.202 0.695 5 40 CCBB COc1cc(N2CCOCC2)c([N+](=O)[O-])cc1C(N)=O 45957531 PLRMBJPWIQCNSJ-UHFFFAOYSA-N 281.268 0.539 5 40 CCBB C[C@H](OC(=O)N[C@@H](CO)C(=O)O)c1ccccc1[N+](=O)[O-] 96118918 VLTUKZSEJOZWJB-CBAPKCEASA-N 298.251 0.828 5 40 CCBB COC(=O)C(C(=O)OC)C(=O)c1ccccc1[N+](=O)[O-] 16189597 JFXULFVCROYLGP-UHFFFAOYSA-N 281.220 0.740 5 40 CCBB Cn1c(Nc2ccccc2)c([N+](=O)[O-])c(=O)n(C)c1=O 4826136 DXZZHLQBMRSICV-UHFFFAOYSA-N 276.252 0.736 5 40 CCBB NC(=O)c1cc([N+](=O)[O-])c(N2CCOCC2)c([N+](=O)[O-])c1 26508656 YAYZLHBBEPIVOU-UHFFFAOYSA-N 296.239 0.439 5 40 CCBB O=[N+]([O-])c1cccc(-c2nc(CN3CCNCC3)n[nH]2)c1 64875471 ZLQHOMBXKQZUKQ-UHFFFAOYSA-N 288.311 0.785 5 40 CCBB O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cnccn1 97146354 OKVADPJQRACKMB-UHFFFAOYSA-N 262.229 0.610 5 40 CCBB COCCNC(=S)Nc1ccc([N+](=O)[O-])cn1 13838296 MLNMZPHXAPJGMH-UHFFFAOYSA-N 256.287 0.923 5 40 CCBB Cc1ccc(N[C@H]2C[C@@H](O)[C@H](CO)O2)cc1[N+](=O)[O-] 519013 MBXAQKREJCGGLD-GRYCIOLGSA-N 268.269 0.783 5 40 CCBB Cn1nnn(-c2ccc([N+](=O)[O-])cc2Cl)c1=O 96180980 PSCJEMVQFKOGBJ-UHFFFAOYSA-N 255.621 0.528 5 40 CCBB CNC(=O)NC(=O)CN1CCc2cc([N+](=O)[O-])ccc21 78264956 NCKGVXMUULVFCE-UHFFFAOYSA-N 278.268 0.413 5 40 CCBB COC(=O)c1cn([C@@H](C)CC(=O)O)nc1[N+](=O)[O-] 408716722 QFHHYZZDWCLMEO-YFKPBYRVSA-N 257.202 0.614 5 40 CCBB Nn1cnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)O 70462401 DAKLLINPYCEDIS-UHFFFAOYSA-N 281.253 0.750 5 40 CCBB CC1CCN(c2nc(N)c([N+](=O)[O-])c(NCCO)n2)CC1 5025232 GKTLVNOIOAHRLU-UHFFFAOYSA-N 296.331 0.608 5 40 CCBB CCOC(=O)NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C 6561553 YUAZCGACXNKLJA-UHFFFAOYSA-N 270.245 0.681 5 40 CCBB CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 24929470 IARASUUZVNQJBN-UHFFFAOYSA-N 283.309 0.961 5 40 CCBB O=C(O)c1c(Cl)cc(-n2cnnn2)cc1[N+](=O)[O-] 408976521 FVBVDTGZKWOIQJ-UHFFFAOYSA-N 269.604 0.922 5 40 CCBB CN[C@H](C(=O)OC)[C@H](O)c1ccc([N+](=O)[O-])c(F)c1 675082727 ATWSYVOBRAPKHM-VHSXEESVSA-N 272.232 0.528 5 40 CCBB O=c1c(=Cc2cccc([N+](=O)[O-])c2)sc2n1CCN=2 585680350 XAZJQFNBXJCKJJ-UHFFFAOYSA-N 275.289 0.280 5 40 CCBB C[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H](C)O1 13139491 GUAVILGYBYOGLT-OCAPTIKFSA-N 268.273 0.578 5 40 CCBB NC[C@H]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 50246594 ZHPCGUQINWRBCM-SECBINFHSA-N 285.325 0.564 5 40 CCBB Cn1nccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 2778467 JKBFYVRTMTXUEN-UHFFFAOYSA-N 296.308 0.807 5 40 CCBB Cc1ncc([N+](=O)[O-])n1CCOC(=O)CCC(=O)O 3156391 APPATXNXXOVPAY-UHFFFAOYSA-N 271.229 0.508 5 40 CCBB in-vitro CCS(=O)(=O)[C@H](CO)C(=O)c1ccc([N+](=O)[O-])cc1 96518797 PSWLIHBDINUPKD-SNVBAGLBSA-N 287.293 0.573 5 40 CCBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)c1=N 100318778 MUQMSONWCFNLCZ-UHFFFAOYSA-N 298.302 0.842 5 40 CCBB O=C(O[C@@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1 4064161 IQRQMOXVHVGGSU-SNVBAGLBSA-N 285.277 0.939 5 40 CCBB O=C(O)COCC(=O)Nc1ccc([N+](=O)[O-])cc1 4699654 RFGJNUYHZNCSIY-UHFFFAOYSA-N 254.198 0.635 5 40 CCBB COC(=O)[C@H]1CCCN1CCn1cc([N+](=O)[O-])cn1 96445671 TYSDRXUZFLDSQI-SNVBAGLBSA-N 268.273 0.429 5 40 CCBB CC(CO)(CO)NC(=O)c1ccc([N+](=O)[O-])cc1 1704612 XLPFUHQWWJDKDP-UHFFFAOYSA-N 254.242 0.068 5 40 CCBB Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1S(=O)(=O)O 4522678 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Cc1nnc(Sc2ccc([N+](=O)[O-])cc2C(N)=O)n1N 70462406 YOQGPCNNEYUBBJ-UHFFFAOYSA-N 294.296 0.459 5 40 CCBB N[C@@H](Cc1c[nH]cn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 4899767 BCUATUQRWYXUCA-NSHDSACASA-N 275.268 0.826 5 40 CCBB O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCNCC1 59489760 HOCFJCJKVIGHKV-UHFFFAOYSA-N 296.239 0.611 5 40 CCBB COc1ccc(CNc2ncc([N+](=O)[O-])c(N)n2)cn1 72270834 RCJGLTFAIGBOJT-UHFFFAOYSA-N 276.256 0.983 5 40 CCBB NC(=O)c1ccc(=O)n(Cc2ccccc2[N+](=O)[O-])n1 71882592 WTCLXECONNQEGB-UHFFFAOYSA-N 274.236 0.299 5 40 CCBB CCOC(=O)[C@H](C)n1cc([N+](=O)[O-])c(C(N)=O)n1 256054619 XAKYEDKQALQZQC-YFKPBYRVSA-N 256.218 0.014 5 40 CCBB C/S(CC(=O)O)=c1/c(=O)c2ccc([N+](=O)[O-])cc2c1=O 17118087 JHCWYAUESJUAQU-UHFFFAOYSA-N 295.272 0.859 5 40 CCBB NC(=O)CCN1CCN(c2ccccc2[N+](=O)[O-])CC1 12609937 XNZSFBSDNWDRJY-UHFFFAOYSA-N 278.312 0.592 5 40 CCBB C[C@H](O)C[N+]1(C)C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 525510 YHYFKNRSINQAGF-NTADQGDRSA-N 263.361 0.793 5 40 CCBB O=C(OCCO)c1cc2c(cc1[N+](=O)[O-])OCCO2 32903423 VCLLMKDNPOONLT-UHFFFAOYSA-N 269.209 0.515 5 40 CCBB Cc1ccc(N(C)CCNS(C)(=O)=O)c([N+](=O)[O-])c1 80639554 HSUPIGLLCVOMHH-UHFFFAOYSA-N 287.341 0.889 5 40 CCBB O=c1n(CCn2ccc([N+](=O)[O-])n2)nc2ccccn12 97376721 INKYWZLFZYZPCL-UHFFFAOYSA-N 274.240 0.301 5 40 CCBB Cc1cc([N+](=O)[O-])cn(C[C@H](O)COC(C)C)c1=O 95975450 RPLRPFWJNUGKFU-NSHDSACASA-N 270.285 0.851 5 40 CCBB CCOC(=O)CS(=O)(=O)Cn1nc([N+](=O)[O-])cc1C 12395005 SVPSFEDUXFWYHW-UHFFFAOYSA-N 291.285 0.035 5 40 CCBB C[C@@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(N)=O 8408581 QKIATSUAGMRDNM-ZCFIWIBFSA-N 296.235 0.397 5 40 CCBB NC(=O)[C@@H]1CC(=O)N(CCNc2ccc([N+](=O)[O-])cc2)C1 45958705 NSMSAXZMKZDGPZ-SECBINFHSA-N 292.295 0.341 5 40 CCBB COC(=O)CCNc1ncc([N+](=O)[O-])c(NC2CC2)n1 26703353 KIFXQIWIKWKNGK-UHFFFAOYSA-N 281.272 0.934 5 40 CCBB Nc1nc(N2CCCCC2)nc(NCCO)c1[N+](=O)[O-] 4306239 OSOMXUOVTRFEAS-UHFFFAOYSA-N 282.304 0.362 5 40 CCBB O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1nnc[nH]1 5392771 DNDUDTFAPVTAGK-UHFFFAOYSA-N 269.242 0.514 5 40 CCBB O=C(NC[C@H](O)C(=O)O)c1c(F)ccc([N+](=O)[O-])c1F 94190488 HAOABUBSBJCAJV-LURJTMIESA-N 290.178 0.048 5 40 CCBB CN(C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 3776798 QITKYWWYSBNNIM-UHFFFAOYSA-N 273.314 0.435 5 40 CCBB CN(C)CCCNC(=O)Cn1cc(Cl)c([N+](=O)[O-])n1 2366014 XMNVWYNFVXOBPO-UHFFFAOYSA-N 289.723 0.513 5 40 CCBB O=[N+]([O-])c1cnccc1N1CCCN(CCO)CC1 69843799 JNBFGHFJNIPUBZ-UHFFFAOYSA-N 266.301 0.494 5 40 CCBB Nn1cnnc1Sc1ccc(C(=O)O)cc1[N+](=O)[O-] 70462341 XIKFFJGBPZTFDO-UHFFFAOYSA-N 281.253 0.750 5 40 CCBB C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)CN1 86468463 BHSAAKDZSMOFQQ-VHSXEESVSA-N 299.352 0.966 5 40 CCBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)O 10327990 ZPTQIXBFVGJGSN-MRVPVSSYSA-N 281.268 0.339 5 40 CCBB NC(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 23296163 VNNPMRKDUCTHGC-QMMMGPOBSA-N 250.258 0.692 5 40 CCBB O=C(Cn1ccc(=O)[nH]c1=O)Nc1cccc([N+](=O)[O-])c1 12778340 LZTOLMCCZATBMM-UHFFFAOYSA-N 290.235 0.084 5 40 CCBB Cc1nn(C)c(C(=O)N2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] 2771162 IMLCAJWCMXCUMS-HTQZYQBOSA-N 282.300 0.886 5 40 CCBB COc1cc(C(=O)NCC(=O)O)ccc1[N+](=O)[O-] 2734786 OZEGAXBFEXMCNI-UHFFFAOYSA-N 254.198 0.418 5 40 CCBB C[C@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H](C)N1 70076669 DSMJXSYHFBBCRS-UWVGGRQHSA-N 299.352 0.966 5 40 CCBB O=[N+]([O-])c1cnn(Cc2nnnn2-c2ccccc2)c1 74061767 LLLUCZTUUMIQMY-UHFFFAOYSA-N 271.240 0.815 5 40 CCBB O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCS(=O)(=O)C1 32784391 SHIXUJNTTRKVNX-SNVBAGLBSA-N 298.320 0.441 5 40 CCBB Cc1nn(C)cc1NC(=O)c1c([N+](=O)[O-])c(C)nn1C 2757003 HKJRMAYIVGPXIM-UHFFFAOYSA-N 278.272 0.931 5 40 CCBB Cc1cc(C(=O)O[C@@H](C)C(N)=O)ccc1[N+](=O)[O-] 7532182 HASUQCHBMQEYCI-ZETCQYMHSA-N 252.226 0.934 5 40 CCBB CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(N)=O 47628441 IAMWVHKRHSJPDF-UHFFFAOYSA-N 280.284 0.341 5 40 CCBB O=[N+]([O-])c1ccc(CN[C@@H]2C=CS(=O)(=O)C2)cc1 105954912 PLFZSYBVGGXYPB-SNVBAGLBSA-N 268.294 0.995 5 40 CCBB C[C@H](CO)N1CCN(c2cc(CO)ccc2[N+](=O)[O-])CC1 95993845 HPTYQKSHGGALNV-LLVKDONJSA-N 295.339 0.590 5 40 CCBB Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCOCC1 78502806 BNSDHNCTBBINMI-UHFFFAOYSA-N 251.242 0.649 5 40 CCBB COCCN1C(=O)C=C(Nc2cccc([N+](=O)[O-])c2)C1=O 12324342 HPURSYZFMZOXDS-UHFFFAOYSA-N 291.263 0.906 5 40 CCBB O=C(O)C1=C[C@H](c2ccc([N+](=O)[O-])o2)n2ncnc2N1 102278207 MTKFJAAUWRXFKM-ZCFIWIBFSA-N 277.196 0.763 5 40 CCBB CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN 3885813 PQQHIXDRMKLSIK-UHFFFAOYSA-N 288.329 0.911 5 40 CCBB in-vitro O=[N+]([O-])c1cc2ccccc2nc1NC[C@@H](O)CO 276669125 STTYOMXZQAWQER-SECBINFHSA-N 263.253 0.908 5 40 CCBB COc1cc(/C=C2/NC(=S)NC2=O)cc([N+](=O)[O-])c1O 134676 JPPROWCWNXWWOS-QHHAFSJGSA-N 295.276 0.654 5 40 CCBB COc1c(NC=O)c2c(c([N+](=O)[O-])c1OC)C(=O)OC2 4805045 XNGSDYQKXUUJAO-UHFFFAOYSA-N 282.208 0.851 5 40 CCBB CCN1CCN(c2nc(NC)nc(N)c2[N+](=O)[O-])CC1 5101121 IJAHGUCYWLMQIJ-UHFFFAOYSA-N 281.320 0.151 5 40 CCBB NC(=O)CCn1c(=O)oc2ccc([N+](=O)[O-])cc21 84490358 UGQMLYZIWQUMCU-UHFFFAOYSA-N 251.198 0.378 5 40 CCBB CCOC(=O)CCNc1nc(Cl)nc(N)c1[N+](=O)[O-] 95095495 MKKXTXNGHGCATO-UHFFFAOYSA-N 289.679 0.986 5 40 CCBB Cc1cc([N+](=O)[O-])nn1C[C@@H](C)C(=O)NN1CCOCC1 2787806 SUAYNAOKNGKVAI-SECBINFHSA-N 297.315 0.099 5 40 CCBB C[C@H](CO)CC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C 113356642 LLTZCMHGDVZAGS-VHSXEESVSA-O 262.326 0.098 5 40 CCBB O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1CCNC1 125922356 DAHODLHGDXIASI-NSHDSACASA-N 263.297 0.863 5 40 CCBB COC1(C)CN(c2c(C(N)=O)cccc2[N+](=O)[O-])C1 420609237 JSSUCHHVAALNDB-UHFFFAOYSA-N 265.269 0.919 5 40 CCBB CCNC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1 3383608 KWFNDXVFKXJJJN-UHFFFAOYSA-N 252.226 0.888 5 40 CCBB O=C(O)c1cnc(COc2ccccc2[N+](=O)[O-])[nH]c1=O 217382831 SLGVKIJIFXHSGU-UHFFFAOYSA-N 291.219 0.955 5 40 CCBB NC(=O)c1ccc(N2CCC(C(N)=O)CC2)c([N+](=O)[O-])c1 5826826 SQYIBRDINJNGRF-UHFFFAOYSA-N 292.295 0.395 5 40 CCBB CS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1842898 OBNLOECNGJKOMP-UHFFFAOYSA-N 262.199 0.841 5 40 CCBB COCCN1C(=O)C=C(Nc2ccc([N+](=O)[O-])cc2)C1=O 21945818 KQYVUGPVCMFYAY-UHFFFAOYSA-N 291.263 0.906 5 40 CCBB C[C@@H](O)C[N@@+]1(C)C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 252463036 YHYFKNRSINQAGF-ZFRZLUBXSA-N 263.361 0.793 5 40 CCBB biogenic O=CN1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 13673615 ICAZYTSAHIIZMV-UHFFFAOYSA-N 277.280 0.438 5 40 CCBB Cc1ccc([N+](=O)[O-])c(C)c1OCC(=O)NC(N)=O 31459467 NCOGNJLHPCIYGF-UHFFFAOYSA-N 267.241 0.785 5 40 CCBB Cc1cc(N[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)c([N+](=O)[O-])cc1C 102985573 WLLHTFRIRXXZRS-ZDEQEGDKSA-N 298.295 0.063 5 40 CCBB biogenic COCCNC(=O)Cn1nc([N+](=O)[O-])c(Cl)c1C 2055628 QBELHUFTVGEBRH-UHFFFAOYSA-N 276.680 0.516 5 40 CCBB O=C(Cn1cnnn1)OCc1cccc([N+](=O)[O-])c1 6862498 GKRHESIHIFQQTQ-UHFFFAOYSA-N 263.213 0.325 5 40 CCBB Cn1cnn(CCOc2ccccc2[N+](=O)[O-])c1=O 96007497 VNCUESXXRFDFGU-UHFFFAOYSA-N 264.241 0.569 5 40 CCBB COC[C@H](O)CN1CCc2ccc([N+](=O)[O-])cc2C1 88616509 ZPGCGIVKOIEWCS-CYBMUJFWSA-N 266.297 0.960 5 40 CCBB CC(=O)N1CCN(CCNc2ncccc2[N+](=O)[O-])CC1 52129265 WTALXPSAMYUMLF-UHFFFAOYSA-N 293.327 0.566 5 40 CCBB C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CC(=O)O)C1=O 37011692 IRIDYLVMJINTID-LBPRGKRZSA-N 293.235 0.446 5 40 CCBB CO[C@H]1O[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]2O[C@H]12 4990444 QQJDGDHKWDVQPR-ZPFDUUQYSA-N 295.247 0.890 5 40 CCBB O=C1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CCN1 48412044 XYWHWKZMWSJRLD-UHFFFAOYSA-N 264.241 0.559 5 40 CCBB Cc1[nH]nc(C(=O)NCc2cccnc2)c1[N+](=O)[O-] 64354050 VUGIXWWINYQSJC-UHFFFAOYSA-N 261.241 0.951 5 40 CCBB CC1=C(C(N)=O)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 17043522 WQTVYCNMEVTMKX-JTQLQIEISA-N 276.252 0.708 5 40 CCBB Cc1ccc(N[C@H]2CS(=O)(=O)C[C@@H]2O)c([N+](=O)[O-])c1 31773393 HPQWQKADMOIDHE-ONGXEEELSA-N 286.309 0.473 5 40 CCBB O=C(OCCn1cnc([N+](=O)[O-])n1)[C@@H]1CC1(Cl)Cl 96452621 GMJOFOKSDZVMRJ-YFKPBYRVSA-N 295.082 0.923 5 40 CCBB COCCCn1cnn2c(=O)c3ccccc3nc2c1=O 1588277 DJYCROYPURNEGP-UHFFFAOYSA-N 286.291 0.441 5 40 CCBB O=C(COC(=O)c1ccc([N+](=O)[O-])o1)NC[C@H]1CCCO1 3271052 ZHONJLIWJDULBP-MRVPVSSYSA-N 298.251 0.640 5 40 CCBB C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 81276 YYOLBXMNZRDYCK-IUCAKERBSA-N 268.273 0.427 5 40 CCBB Cc1cc([N+](=O)[O-])ccc1NC(=O)C[C@H]1NCCNC1=O 10153555 OKYDRHBDHFZGHE-LLVKDONJSA-N 292.295 0.320 5 40 CCBB CN(C)C(=O)[C@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])o1 66657704 YRUOVUULEUNXAD-SSDOTTSWSA-N 299.308 0.791 5 40 CCBB Cn1nc([N+](=O)[O-])nc1-n1nc(Cl)nc1Cl 39248516 OHJLPNQZHGFMEA-UHFFFAOYSA-N 264.032 0.611 5 40 CCBB CCCn1c(=N)c(C(N)=O)cc2c(=O)n3ccccc3nc21 100088502 VWVGFVIXTVAUMH-UHFFFAOYSA-N 297.318 0.638 5 40 CCBB Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H](C)O 35611265 MEARUYSLDYIQPW-QMMMGPOBSA-N 274.298 0.562 5 40 CCBB O=C(NC[C@@H]1CCCO1)C(=O)Nc1ccccc1[N+](=O)[O-] 5251411 SRZHXVKVAFHBDA-VIFPVBQESA-N 293.279 0.829 5 40 CCBB NC(=O)c1ccc(NCCN2CCOCC2)c([N+](=O)[O-])c1 23486376 IDNMRRMDTYDFPE-UHFFFAOYSA-N 294.311 0.438 5 40 CCBB COc1cc(/C=C2/NC(=O)N(C)C2=O)cc([N+](=O)[O-])c1O 409191396 GMEBOVKTIQJGTD-XVNBXDOJSA-N 293.235 0.832 5 40 CCBB C[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1O 95454211 CQTWPDDKCXMRIW-JOYOIKCWSA-N 264.281 0.977 5 40 CCBB COc1cc(NC(=O)CN2CCOCC2)ccc1[N+](=O)[O-] 408553659 QBRDDJDPVVMPSK-UHFFFAOYSA-N 295.295 0.874 5 40 CCBB COc1c(Cl)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 8816588 WTZMOPHDDYYDIA-UHFFFAOYSA-N 266.662 0.904 5 40 CCBB O=[N+]([O-])c1cc(CN(CCO)CCO)ccc1O 4844446 BJTWTFAZBOWXSI-UHFFFAOYSA-N 256.258 0.087 5 40 CCBB Cc1cnc(N2CCOC[C@H]2CCO)c([N+](=O)[O-])c1 96492832 MPWIRPGOVHYLMB-SNVBAGLBSA-N 267.285 0.886 5 40 CCBB O=[N+]([O-])c1cccc(OS(=O)(=O)N2CCOCC2)c1 7616193 PKBXVFQIPYYHOV-UHFFFAOYSA-N 288.281 0.551 5 40 CCBB O=[N+]([O-])c1cc2no[n+]([O-])c2cc1N1CCOCC1 5339798 QONVKFFERPCCTF-UHFFFAOYSA-N 266.213 0.206 5 40 CCBB C[C@H](N)C(=O)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 4899538 DGJXYQXDZRCZAS-YUMQZZPRSA-N 280.284 0.385 5 40 CCBB O=C(NC[C@@H]1COC2(CCCC2)O1)[C@H]1C[C@@H]1[N+](=O)[O-] 95459548 DWMJNZFATDCOOM-UTLUCORTSA-N 270.285 0.454 5 40 CCBB O=C1N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1[N+](=O)[O-] 40167154 LXCBAYNWTLCZAX-XCBNKYQSSA-N 297.292 0.290 5 40 CCBB Cn1cnnc1CNC(=O)CCc1cccc([N+](=O)[O-])c1 96461520 XLZLKBUSPWCYEI-UHFFFAOYSA-N 289.295 0.972 5 40 CCBB O=[N+]([O-])c1nonc1CCc1nonc1[N+](=O)[O-] 3173842 PQTAPWFREBMMLP-UHFFFAOYSA-N 256.134 0.054 5 40 CCBB C[C@H](O)[C@H](Nc1ncc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O 8448184 CGBLNVRWTFRBKY-FFWSUHOLSA-N 286.200 0.144 5 40 CCBB CO[C@H]1CNC[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1C 195554121 XHLDGDUTGPQKAU-YPMHNXCESA-N 293.323 0.549 5 40 CCBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1NCCNC1=O 14607363 AEZNOGLBSTVCBP-LLVKDONJSA-N 292.295 0.320 5 40 CCBB O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCNCC1 50101828 AVCPAGVKTVSCGY-UHFFFAOYSA-N 285.325 0.330 5 40 CCBB Cn1nccc1CNC(=O)c1ccc([N+](=O)[O-])cc1O 97373306 SRRQHHVMYTWKBZ-UHFFFAOYSA-N 276.252 0.964 5 40 CCBB NC(=O)CC[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(=O)O 5161931 IMTMBDXEKMXETQ-SECBINFHSA-N 267.241 0.725 5 40 CCBB CN1CCC(N(C)c2ncnc(N)c2[N+](=O)[O-])CC1 35682000 QKXLEFDPPCJJIC-UHFFFAOYSA-N 266.305 0.497 5 40 CCBB CN[C@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 53202831 IBAWSZVLTBJPDN-JTQLQIEISA-N 299.352 0.967 5 40 CCBB Cc1[nH]nc(C(=O)N2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] 58084181 VZTDGZCWCAKHLJ-RNFRBKRXSA-N 268.273 0.876 5 40 CCBB CCCNC(=O)[C@@H](C)NC(=O)CCn1cc([N+](=O)[O-])cn1 65490907 HCQBIGUWUPBAIM-SECBINFHSA-N 297.315 0.212 5 40 CCBB Cc1cnc(NCc2n[nH]c(=O)[nH]2)c([N+](=O)[O-])c1 89580199 FQVYBQYOGDMARG-UHFFFAOYSA-N 250.218 0.322 5 40 CCBB CN(C)C(=O)COC(=O)c1cccc([N+](=O)[O-])c1 3329393 BNVITEWBJLAVQL-UHFFFAOYSA-N 252.226 0.840 5 40 CCBB O=[N+]([O-])c1c(N2C[C@H](O)C[C@H]2CO)nc2ccccn12 107542619 WVFSICLMGLRNSJ-DTWKUNHWSA-N 278.268 0.174 5 40 CCBB O=[N+]([O-])c1ccc(CN[C@H]2CCS(=O)(=O)C2)cc1 20038539 GZLGODDBTHJTPK-JTQLQIEISA-N 270.310 0.872 5 40 CCBB C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1 81274 YYOLBXMNZRDYCK-RKDXNWHRSA-N 268.273 0.427 5 40 CCBB O=C(O)CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O 8614349 OLOYABCTBQZHEX-VIFPVBQESA-N 296.235 0.643 5 40 CCBB Nc1nc(NCc2ccco2)nc(NCCO)c1[N+](=O)[O-] 5029267 NBPSUBDMNIPSPU-UHFFFAOYSA-N 294.271 0.576 5 40 CCBB Cc1ccc([N+](=O)[O-])c(N2CC[C@H](S(N)(=O)=O)C2)c1 88722534 AVGKUFJHEYMBLV-VIFPVBQESA-N 285.325 0.770 5 40 CCBB C[N+](C)(C)CCOc1cc(OCC[N+](C)(C)C)ncn1 541667 ZAUVDSMHTMDILX-UHFFFAOYSA-N 284.404 0.647 5 40 CCBB COC1=NS(=O)(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c21 15218576 BGNJLEQJVPUZJD-UHFFFAOYSA-N 287.209 0.598 5 40 CCBB O=C(O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 8418499 AUNBEBZCSWZONU-UHFFFAOYSA-N 265.269 0.801 5 40 CCBB O=C(O)Cn1c(=O)c2ccc3[nH]c(=O)c4ccc(c1=O)c2c34 11851857 AFIWDQHSMCKFDA-UHFFFAOYSA-N 296.238 0.317 5 40 CCBB Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](S(N)(=O)=O)C2)c1 88722537 AVGKUFJHEYMBLV-SECBINFHSA-N 285.325 0.770 5 40 CCBB Cn1c(=O)cc(O)c2ccc3c(O)cc(=O)n(C)c3c21 103990424 IDCWIVOLEBXZJT-UHFFFAOYSA-N 272.260 0.802 5 40 CCBB CNC(=O)c1ccc(N[C@@H](C)C(=O)O)c([N+](=O)[O-])c1 67321120 UALWXLJISLGNDC-LURJTMIESA-N 267.241 0.839 5 40 CCBB Cc1ccc2nc3[nH]c(=O)[nH]c(=O)c3c(C(N)=O)c2c1 1580881 UYDOPBARPVIHFP-UHFFFAOYSA-N 270.248 0.172 5 40 CCBB O=CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 10284506 DEPVRGBNRGVNJJ-UHFFFAOYSA-N 299.308 0.058 5 40 CCBB O=C(NC[C@H](O)c1ccc(F)c(F)c1)[C@@H]1C[C@@H]1[N+](=O)[O-] 57308456 XUWJWTHIBSRQSN-GGVZMXCHSA-N 286.234 0.780 5 40 CCBB CC[C@H](C)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O 5038966 NOMVJNIOQAUASZ-QMMMGPOBSA-N 253.258 0.671 5 40 CCBB CCCNC(=O)NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C 8327490 JXFMJFBVHLZIIB-UHFFFAOYSA-N 283.288 0.644 5 40 CCBB C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCO1 11288095 KQPNHJQILYQUTQ-SECBINFHSA-N 281.268 0.004 5 40 CCBB CCOC(=O)[C@@H](N)[C@@H](O)c1cccc([N+](=O)[O-])c1 19797971 YZJDYGCJJIEVBN-UWVGGRQHSA-N 254.242 0.519 5 40 CCBB CN(C)CCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 5251509 MLVOZDRERFXGKR-UHFFFAOYSA-N 294.311 0.601 5 40 CCBB COC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 35178494 QKPRPDVPYDVQBF-SSDOTTSWSA-N 268.225 0.965 5 40 CCBB COC(=O)C(=O)CC(=O)c1cccc([N+](=O)[O-])c1 100025138 QYSCKGUZJUBRDG-UHFFFAOYSA-N 251.194 0.910 5 40 CCBB COc1c([N+](=O)[O-])cc2nc(O)c(O)nc2c1[N+](=O)[O-] 59391011 SZSDXALMLAEOGD-UHFFFAOYSA-N 282.168 0.866 5 40 CCBB COCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 15382278 JHOFDZJZKUHHQI-UHFFFAOYSA-N 279.296 0.890 5 40 CCBB Cc1n[nH]c(C(=O)NCC2(O)CCC2)c1[N+](=O)[O-] 96444763 NSNUAUPVXYSEBD-UHFFFAOYSA-N 254.246 0.271 5 40 CCBB C[C@@H](O)C(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O 2060999846 CQPZZTYICDQWBI-GMSGAONNSA-N 282.252 0.088 5 40 CCBB NC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])s2)CCO1 50955680 ZXXKSTNJJNGIED-ZCFIWIBFSA-N 257.271 0.347 5 40 CCBB O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCCNC2)cc1 71397275 JGKUMQQVIGHHCP-VIFPVBQESA-N 285.325 0.625 5 40 CCBB CC(=O)[C@@H]1C(=O)C(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O 102968025 GCYDNJITIMNAEB-SECBINFHSA-N 276.204 0.242 5 40 CCBB COC(=O)[C@H](NC(C)=O)[C@@H](OC)c1ccccc1[N+](=O)[O-] 518646 GWZNTQSSOJHRBO-NEPJUHHUSA-N 296.279 0.960 5 40 CCBB biogenic Nc1nc(Cl)nc(N2CCOCC2)c1[N+](=O)[O-] 4087404 WPMWFKYKNILTPZ-UHFFFAOYSA-N 259.653 0.457 5 40 CCBB NCCCNc1nc(N)c([N+](=O)[O-])c(N2CCCCC2)n1 5156188 CPKDKGSOROHOIU-UHFFFAOYSA-N 295.347 0.718 5 40 CCBB CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN 195544467 RYAAUINFSPVWNB-UHFFFAOYSA-N 273.314 0.394 5 40 CCBB O=C(O)c1cc(S(=O)(=O)O)cc([N+](=O)[O-])c1O 31333649 ULEVDAVOVJCFSJ-UHFFFAOYSA-N 263.183 0.245 5 40 CCBB C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(N)C1=O 2643708 DJXDKYMMYQHPPG-JTQLQIEISA-N 250.214 0.236 5 40 CCBB C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1N 94340832 KLWCCBQOPNMWFX-SKDRFNHKSA-N 299.352 0.953 5 40 CCBB COCc1noc(CCn2cc([N+](=O)[O-])cn2)n1 78774818 ZZYRBJLLHXPMFT-UHFFFAOYSA-N 253.218 0.563 5 40 CCBB C[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)[C@@H]1CCCO1 2778623 WLECMVOEFTVVIY-APPZFPTMSA-N 268.273 0.626 5 40 CCBB Cc1c([N+](=O)[O-])c(C(=O)N2C[C@@H](C)O[C@H](C)C2)nn1C 2771134 LHVIBNSSQGCPFX-HTQZYQBOSA-N 282.300 0.886 5 40 CCBB NC1=NC(=S)N[C@H](c2ccc([N+](=O)[O-])cc2)N1 34926963 MDLHZOATDZVHQI-SSDOTTSWSA-N 251.271 0.386 5 40 CCBB CC(C)CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 6119955 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299.283 0.511 5 40 CCBB COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)CO 41378974 PPTRFQVIBTTWBB-SSDOTTSWSA-N 297.267 0.039 5 40 CCBB C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)N1CCNC1=O 9479542 RLFJNGYZUJTLPQ-MRVPVSSYSA-N 279.252 0.914 5 40 CCBB COC(c1ccc([N+](=O)[O-])cc1)([N+](=O)[O-])[N+](=O)[O-] 101347607 XMDWQHRGQRAVDO-UHFFFAOYSA-N 257.158 0.905 5 40 CCBB N=c1nc2c3cc(Br)ccc3nnn2c(=N)[nH]1 8627792 UHKMRQDMIBJMAZ-UHFFFAOYSA-N 292.100 0.327 5 40 CCBB CCOC(=O)c1cn(C[C@@H](C)C(=O)O)nc1[N+](=O)[O-] 408716036 IFLZUZIGPQOFLG-ZCFIWIBFSA-N 271.229 0.689 5 40 CCBB Cc1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-] 7612680 XQXQARSINITBHO-UHFFFAOYSA-N 287.341 0.743 5 40 CCBB CS(=O)(=O)Nc1ccc(C(=O)O)cc1[N+](=O)[O-] 37388935 KPMVBNPWPBLWHZ-UHFFFAOYSA-N 260.227 0.665 5 40 CCBB O=C(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)NCCO 4719340 AJDMCOWOWAKSJY-UHFFFAOYSA-N 281.268 0.422 5 40 CCBB CNC(=O)CN(C)c1ccc(C(C)=O)cc1[N+](=O)[O-] 7365327 SWQROWIXPJQUCY-UHFFFAOYSA-N 265.269 0.980 5 40 CCBB Cc1ccc([N+](=O)[O-])cc1N[C@H]1C[C@@H](O)[C@H](CO)O1 3897405 XGKMKROZJTWHQZ-GRYCIOLGSA-N 268.269 0.783 5 40 CCBB NCCCC[C@@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1 4556755 VUUNELJIFNFWJC-LLVKDONJSA-N 266.301 0.990 5 40 CCBB in-vitro NC[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 50246597 WJMXAMGEIITLJR-VIFPVBQESA-N 285.325 0.564 5 40 CCBB CC1=CC[C@@]2([N+](=O)[O-])C[C@]1([N+](=O)[O-])C[N+](C)(C)C2 4601777 BCNRFSCGIPMNSG-MNOVXSKESA-N 256.282 0.848 5 40 CCBB O=C(CCn1cc([N+](=O)[O-])cn1)N1CCN2CCC[C@@H]2C1 2770902 VHEKAJLLKYVFBE-LLVKDONJSA-N 293.327 0.488 5 40 CCBB O=c1[nH]n2cc(-c3n[nH]cc3[N+](=O)[O-])cnc2c1Cl 1066596 RKTIGEHIJABBFR-UHFFFAOYSA-N 280.631 0.974 5 40 CCBB C[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CCCO1 2778580 KNUAHALCTQSKKA-VXNVDRBHSA-N 268.273 0.626 5 40 CCBB O=C1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1 12505726 ZSWBQGORUFNNOY-UHFFFAOYSA-N 264.241 0.559 5 40 CCBB C[C@@H](O)[C@H](Nc1ncc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O 8448185 CGBLNVRWTFRBKY-FBCQKBJTSA-N 286.200 0.144 5 40 CCBB 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266.192 0.359 5 40 CCBB Cc1nn(C)c(NC(=O)Cc2ccnn2C)c1[N+](=O)[O-] 6526226 PMMXUIPVCHMJPU-UHFFFAOYSA-N 278.272 0.551 5 40 CCBB O=C(NCc1ccc2c(c1)OCCO2)[C@H]1C[C@@H]1[N+](=O)[O-] 44966768 VARRTQQIXCABGL-UWVGGRQHSA-N 278.264 0.739 5 40 CCBB CN1C(=O)N/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1=O 409191748 MDFQCXAMQLAZFN-QPJJXVBHSA-N 263.209 0.823 5 40 CCBB Cc1cnn(CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 65475902 QPCDSDCGJRGDES-NXEZZACHSA-N 252.274 0.363 5 40 CCBB C[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1CCCO1 2778581 KNUAHALCTQSKKA-CBAPKCEASA-N 268.273 0.626 5 40 CCBB COC(=O)[C@@H](O)CNC(=O)Nc1ccc([N+](=O)[O-])cc1 95452919 FRGUUSQZZUZZIB-VIFPVBQESA-N 283.240 0.250 5 40 CCBB CN(C)c1c(C(N)=O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 4013999 SWFQINJGADVPDE-UHFFFAOYSA-N 254.202 0.668 5 40 CCBB O=c1[nH]c2c(Br)cnc([N+](=O)[O-])c2[nH]1 5804392 UULBJVRSPMYQQT-UHFFFAOYSA-N 259.019 0.922 5 40 CCBB CN(Cc1cnn(C)c1)C(=O)c1nn(C)cc1[N+](=O)[O-] 2770883 JKLMYLHVCQVUCQ-UHFFFAOYSA-N 278.272 0.334 5 40 CCBB O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@]3(CCOC3)C2)c1 89764477 UVCYJXXBOPLCRN-OLZOCXBDSA-N 296.327 0.265 5 40 CCBB CCn1ncc([N+](=O)[O-])c1C(=O)N1CCN2CCC[C@H]2C1 2766960 HMNWGMQJMCYLBN-JTQLQIEISA-N 293.327 0.731 5 40 CCBB O=C(O)c1cnn2cc(-c3n[nH]cc3[N+](=O)[O-])cnc12 6445063 WXRKKDNIWKAJDH-UHFFFAOYSA-N 274.196 0.726 5 40 CCBB COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C 32401668 KHISHRLBAFMVOY-UHFFFAOYSA-N 260.271 0.854 5 40 CCBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCNCC1 15424488 ASAMAYCMBJCWTI-UHFFFAOYSA-N 278.312 0.747 5 40 CCBB Nc1c(C(=O)N2CCC[C@@H]2CO)cccc1[N+](=O)[O-] 95443623 KRGXPXGVOCUKRS-MRVPVSSYSA-N 265.269 0.774 5 40 CCBB CCN(CC)CCNC(=O)Cn1cc([N+](=O)[O-])cn1 4743084 CJEVMVHJGDEOEF-UHFFFAOYSA-N 269.305 0.249 5 40 CCBB O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)C1=COCCO1 3077967 XVTOIRYQVVYQCF-NSHDSACASA-N 294.263 0.633 5 40 CCBB CC(C)(C)c1nc(Cn2cnc([N+](=O)[O-])n2)no1 48603261 RYTVNDAAOQXZMT-UHFFFAOYSA-N 252.234 0.915 5 40 CCBB O=[N+]([O-])c1ccc(N2CCOCC2)cc1NCCO 4004774 DHWUCHMRFIZRRQ-UHFFFAOYSA-N 267.285 0.836 5 40 CCBB O=[N+]([O-])c1cccc(N[C@H]2CS(=O)(=O)C[C@@H]2O)c1 19862488 VRBAFFNLGRKXPC-UWVGGRQHSA-N 272.282 0.165 5 40 CCBB CNC(=S)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 24527435 JBQMUXKWRURWSC-UHFFFAOYSA-N 281.341 0.616 5 40 CCBB Cn1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)n1 28497334 AINWJMMCAJVJFA-UHFFFAOYSA-N 250.218 0.164 5 40 CCBB O=c1[nH]cnc2cc(N3CCOCC3)c([N+](=O)[O-])cc12 8647687 WMABAQBSKMVXJZ-UHFFFAOYSA-N 276.252 0.668 5 40 CCBB CCn1ncc([N+](=O)[O-])c1C(=O)NCc1cnn(C)c1 36611211 GSHISLAJQGXZRJ-UHFFFAOYSA-N 278.272 0.475 5 40 CCBB O=C(NCCNc1ccc([N+](=O)[O-])cn1)C1CC1 25370995 WUDSHQLTQVOACG-UHFFFAOYSA-N 250.258 0.928 5 40 CCBB NC(=O)[C@@H]1CCCN1c1nc2sccn2c1[N+](=O)[O-] 8318483 KDJHJKCFDWCYAN-LURJTMIESA-N 281.297 0.758 5 40 CCBB NC(=O)CCn1ccc(Nc2ccc([N+](=O)[O-])cn2)n1 75140753 MDZVAUMOAPSJTG-UHFFFAOYSA-N 276.256 0.805 5 40 CCBB CS(=O)(=O)c1ccc([N+](=O)[O-])c(NCCN)c1 1537887937 PXFMSBWUVSQDBQ-UHFFFAOYSA-N 259.287 0.369 5 40 CCBB O=C(NN1C(=O)CCC1=O)c1ccccc1[N+](=O)[O-] 59947077 VVJVLKGJUZRCCJ-UHFFFAOYSA-N 263.209 0.389 5 40 CCBB C[C@@]1(C(=O)O)Oc2cc([N+](=O)[O-])ccc2NC1=O 8729844 VSIBSIMWHCCJBI-SNVBAGLBSA-N 252.182 0.769 5 40 CCBB in-vitro CCn1cc([N+](=O)[O-])c(-n2ccc(C(=O)OC)n2)n1 253393501 JNDGXOCFINNDLT-UHFFFAOYSA-N 265.229 0.784 5 40 CCBB O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H]1CCCNC1 44502178 XWJMRMYNWBOPJT-SNVBAGLBSA-N 299.352 0.873 5 40 CCBB C[C@H](O)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O 2060999849 CQPZZTYICDQWBI-XVKPBYJWSA-N 282.252 0.088 5 40 CCBB COc1ccc(/C=C2\NC(=O)NC2=O)cc1[N+](=O)[O-] 5514431 FCUJTOMRWIVPFB-DAXSKMNVSA-N 263.209 0.784 5 40 CCBB NC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])s2)CCO1 50955678 ZXXKSTNJJNGIED-LURJTMIESA-N 257.271 0.347 5 40 CCBB O=C(NC1CC1)c1nc(Cn2cc([N+](=O)[O-])cn2)no1 4726696 OJLBYXNDJFCPHC-UHFFFAOYSA-N 278.228 0.115 5 40 CCBB Cc1ccc(N2C[C@H](C(N)=O)CC2=O)cc1[N+](=O)[O-] 45953501 JMBKFOOAPGOGPV-MRVPVSSYSA-N 263.253 0.741 5 40 CCBB O=C(O)/C=C/C(=O)Nc1cc([N+](=O)[O-])ccc1O 116540 XSYPPKQCIDTBGR-ONEGZZNKSA-N 252.182 0.880 5 40 CCBB O=C(O)Cn1cc(I)c([N+](=O)[O-])n1 2755737 CRKHKODFCFMZEU-UHFFFAOYSA-N 297.008 0.481 5 40 CCBB C[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CCN1 15443153 FSLXLICOGROISX-VIFPVBQESA-N 299.352 0.796 5 40 CCBB Cn1nnc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)n1 558091 VVCJBGKXNLYOEO-AATRIKPKSA-N 274.240 0.770 5 40 CCBB O=C(CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1)NC1CC1 6602023 OEMNSYMPLIFLJY-GFCCVEGCSA-N 279.296 0.496 5 40 CCBB CNN(C)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] 102046244 RVQGAXJJCCVGHH-UHFFFAOYSA-N 271.189 0.982 5 40 CCBB C[C@@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCN1 34488931 IINIVSOHSJLEQH-SECBINFHSA-N 285.325 0.577 5 40 CCBB O=[N+]([O-])c1cnc(N2CCC[C@@H]2CN2CCOCC2)nc1 160416808 TUIZVJMVWQEWPX-LLVKDONJSA-N 293.327 0.686 5 40 CCBB CCN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 36416739 JFBUSGWUOXTHHF-UHFFFAOYSA-N 299.352 0.921 5 40 CCBB COC(=O)c1cc2c(=O)n3ccccc3nc2n(C)c1=N 100938188 ZBKZMFSAWQLRBG-UHFFFAOYSA-N 284.275 0.452 5 40 CCBB aggregator Cc1c(CN(C)C(=O)c2c([N+](=O)[O-])cnn2C)cnn1C 2778878 SRNCMWDNZAMTKV-UHFFFAOYSA-N 292.299 0.642 5 40 CCBB Nc1cc(Cl)c(S(N)(=O)=O)cc1[N+](=O)[O-] 39474479 LCRYWHVAQSCUHN-UHFFFAOYSA-N 251.651 0.478 5 40 CCBB C[C@@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](C)CN1 86468795 QTIXFNWKDRZEGF-NXEZZACHSA-N 299.352 0.966 5 40 CCBB O=c1[nH]nc(CNc2ncc([N+](=O)[O-])cc2Cl)[nH]1 95409607 BPZRALNPWUAZCO-UHFFFAOYSA-N 270.636 0.667 5 40 CCBB C[C@@H](Cn1cc([N+](=O)[O-])cn1)C(=O)N1CCOCC1 2791308 XEKJASMKDNOGHN-VIFPVBQESA-N 268.273 0.286 5 40 CCBB O=C(CN1CCc2ncc([N+](=O)[O-])cc2C1)NC1CC1 97049020 UMXDIDRUJNWYHU-UHFFFAOYSA-N 276.296 0.627 5 40 CCBB CCOC(=O)N1CCN(Cc2cc([N+](=O)[O-])nn2C)CC1 96372342 AJIUQQDMBMCLTQ-UHFFFAOYSA-N 297.315 0.602 5 40 CCBB COCCCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 5250786 ARZBMTMIPNULTM-UHFFFAOYSA-N 281.268 0.686 5 40 CCBB CNC(=O)C1CCN(c2ncccc2[N+](=O)[O-])CC1 22062510 AJPZWGWUSVRGCQ-UHFFFAOYSA-N 264.285 0.952 5 40 CCBB Nc1nc(N2CCC(CO)CC2)ncc1[N+](=O)[O-] 48560412 JJEZYCNSRUWKNJ-UHFFFAOYSA-N 253.262 0.176 5 40 CCBB CS(=O)(=O)CCN1CCc2ccc([N+](=O)[O-])cc2C1 88607588 GOKKPSUQGHPQRI-UHFFFAOYSA-N 284.337 0.998 5 40 CCBB CCN1C[C@@]2([N+](=O)[O-])C=C(C(=O)O)C[C@@]([N+](=O)[O-])(C1)C2 3219800 ZAVSQOYIOHYIBN-MNOVXSKESA-N 285.256 0.158 5 40 CCBB O=C(NCc1ccc2c(c1)OCCO2)[C@@H]1C[C@@H]1[N+](=O)[O-] 44966766 VARRTQQIXCABGL-ZJUUUORDSA-N 278.264 0.739 5 40 CCBB O=[N+]([O-])c1ccc([C@@H](O)CN2CCN(CCO)CC2)cc1 1694684 YHDGRNXFSAHSLH-AWEZNQCLSA-N 295.339 0.238 5 40 CCBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nnc[nH]1 5731158 ZLKNIXRUIGPRTL-UHFFFAOYSA-N 263.213 0.730 5 40 CCBB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])o1 3520646 AFNVIMDIDVWNDH-ZCFIWIBFSA-N 299.239 0.579 5 40 CCBB C[C@@H](N)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 9426202 ANJRCTXHWLNLRC-SSDOTTSWSA-N 259.287 0.220 5 40 CCBB Cc1ccc[n+](C)c1C[C@@H]1C([N+](=O)[O-])=CN=C2N=CNN21 1424733 RQYJGPBCFVBJQV-LLVKDONJSA-N 287.303 0.067 5 40 CCBB O=C(O)CCNC(=O)Cc1ccccc1[N+](=O)[O-] 19505068 ZUBKHKPRRJOIRX-UHFFFAOYSA-N 252.226 0.728 5 40 CCBB Cn1nc(I)cc1[N+](=O)[O-] 953126705 OZAHEYYGYWOFGN-UHFFFAOYSA-N 252.999 0.933 5 40 CCBB NC[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 87384085 ARDXHZHZFAIFSG-VIFPVBQESA-N 285.325 0.610 5 40 CCBB CN(Cc1cnn(C)c1)Cn1cc([N+](=O)[O-])cn1 14191806 NCDNCNHRYHALBP-UHFFFAOYSA-N 250.262 0.614 5 40 CCBB N=C(Nc1ncccc1[N+](=O)[O-])N1CCOCC1 225245356 UQGKWFDGMCEDQM-UHFFFAOYSA-N 251.246 0.669 5 40 CCBB C[C@H]1CCCC[C@@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 48222225 OMJIRKJZSWTAAR-IUCAKERBSA-N 267.289 0.881 5 40 CCBB Cc1c([N+](=O)[O-])c(C(=O)N2C[C@H](C)O[C@H](C)C2)nn1C 17971032 LHVIBNSSQGCPFX-OCAPTIKFSA-N 282.300 0.886 5 40 CCBB Cc1nn(C)c(NCC(=O)N2CCCC2)c1[N+](=O)[O-] 47331242 QFWRXDMLVKQXNV-UHFFFAOYSA-N 267.289 0.671 5 40 CCBB Cc1cc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)on1 31672427 BZSFMAKDCCHKPP-UHFFFAOYSA-N 278.224 0.692 5 40 CCBB CN(Cc1cnn(C)c1)C(=O)Cn1cc([N+](=O)[O-])cn1 24482134 JCDFLQATVUACOB-UHFFFAOYSA-N 278.272 0.183 5 40 CCBB C[C@H]1CNC[C@@H](C)N1S(=O)(=O)c1ccccc1[N+](=O)[O-] 69133574 LXDGUIJPAWCJTM-AOOOYVTPSA-N 299.352 0.966 5 40 CCBB O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2N1CCOCC1 4142655 QCEOIUMRFCGYEJ-UHFFFAOYSA-N 297.292 0.376 5 40 CCBB O=C(O)c1cccn(-c2ccc([N+](=O)[O-])cn2)c1=O 32918521 GDFASEAHMVDCOE-UHFFFAOYSA-N 261.193 0.839 5 40 CCBB CCOC(=O)[C@@H](NC(C)=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 1714352 NSNOEMJKFMGTDG-RYUDHWBXSA-N 296.279 0.696 5 40 CCBB Cn1ncc(I)c1[N+](=O)[O-] 72339229 NRSSVMYLCZDMFQ-UHFFFAOYSA-N 252.999 0.933 5 40 CCBB O=C(CSc1ncn[nH]1)Nc1ncc([N+](=O)[O-])s1 10678912 ADJXLHUMBMVEFS-UHFFFAOYSA-N 286.298 0.900 5 40 CCBB CC1=C(C(N)=O)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 71651 HWOIRXPMQSPIDY-JTQLQIEISA-N 276.252 0.708 5 40 CCBB COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] 101177236 UKAKOBHHLONQLK-IMHINIOTSA-N 282.296 0.356 5 40 CCBB O=C(NCC(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1 9678143 SKNASFIAWGYXMR-UHFFFAOYSA-N 277.280 0.947 5 40 CCBB Cn1c(=O)[nH]c(Nc2ccc(F)cc2)c([N+](=O)[O-])c1=O 4114211 AATIQNBQNYEYTA-UHFFFAOYSA-N 280.215 0.865 5 40 CCBB O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1CCCNC1 71397273 IUSRQGSYQOAHSK-VIFPVBQESA-N 285.325 0.625 5 40 CCBB Nc1nnc(-c2c([N+](=O)[O-])cnn2CCF)s1 408717771 SZCNUZYILIUYSL-UHFFFAOYSA-N 258.238 0.862 5 40 CCBB C[C@@H]1CCCN(c2nc(N)c([N+](=O)[O-])c(NCCO)n2)C1 5164921 XURXIQOLTLSWIL-MRVPVSSYSA-N 296.331 0.608 5 40 CCBB O=C1N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc([N+](=O)[O-])cc1 40167210 VMGGVFOKWOHOCM-NXEZZACHSA-N 297.292 0.290 5 40 CCBB Cc1nn(CSc2nnc(C)n2N)c(C)c1[N+](=O)[O-] 2552515 GJGYWVAZJJORBE-UHFFFAOYSA-N 283.317 0.772 5 40 CCBB Cc1ccc(N[C@H]2CS(=O)(=O)C[C@H]2O)c([N+](=O)[O-])c1 31773396 HPQWQKADMOIDHE-GXSJLCMTSA-N 286.309 0.473 5 40 CCBB C[C@H]1CCCCN1CCNC(=O)Cn1cc([N+](=O)[O-])cn1 46857460 SFGPUTPPDYICTC-NSHDSACASA-N 295.343 0.782 5 40 CCBB Nc1nc(N)n2c(-c3ccc([N+](=O)[O-])cc3)nnc2n1 6829157 CYZLFGNKANTETO-UHFFFAOYSA-N 272.228 0.259 5 40 CCBB CONC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 25821038 BVFGLGUYQVQHJD-UHFFFAOYSA-N 256.214 0.903 5 40 CCBB COc1cc([C@H](N)CC(=O)O)cc([N+](=O)[O-])c1O 44197330 HVWDQBMXQGJLSY-ZCFIWIBFSA-N 256.214 0.784 5 40 CCBB NC(=O)CCn1cc([N+](=O)[O-])c(-c2ccncc2)n1 78967261 XUOGLJITYDAIFT-UHFFFAOYSA-N 261.241 0.729 5 40 CCBB CNc1nc(N2C[C@H](C)O[C@@H](C)C2)nc(N)c1[N+](=O)[O-] 4123423 NBTQYSSZQWJMMA-BQBZGAKWSA-N 282.304 0.622 5 40 CCBB O=C(Cn1cnc([N+](=O)[O-])n1)N1CCc2ccccc21 48210781 IRGOHCKNTIPJKY-UHFFFAOYSA-N 273.252 0.776 5 40 CCBB O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCS(=O)(=O)C1 4064185 UAUUFMHMFUHYBJ-SECBINFHSA-N 299.308 0.903 5 40 CCBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cc(=O)[nH]c(=O)[nH]1 8267873 DEVXKYFBVMLAMY-UHFFFAOYSA-N 294.198 0.363 5 40 CCBB Cc1cc([N+](=O)[O-])nn1C[C@@H](C)C(=O)N1CCOCC1 2791331 NJWRZHOZMAXAJY-SECBINFHSA-N 282.300 0.595 5 40 CCBB CC(C)(CC(N)=O)NC(=O)c1ccccc1[N+](=O)[O-] 97112210 XXAKLLXIZWRMQL-UHFFFAOYSA-N 265.269 0.979 5 40 CCBB CC(C)CNc1nc(N)c([N+](=O)[O-])c(N2CCOCC2)n1 5249621 KNAUITHNWVKNLS-UHFFFAOYSA-N 296.331 0.872 5 40 CCBB CCS(=O)(=O)Cc1cc(C(=O)O)oc1[N+](=O)[O-] 96532835 LUSDEIOCWSHTFO-UHFFFAOYSA-N 263.227 0.821 5 40 CCBB O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CCOCC1 32770192 LJLYDJSKAINWJL-UHFFFAOYSA-N 279.252 0.792 5 40 CCBB CCn1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)n1 557323 ZNWXVOHJDOKZHX-UHFFFAOYSA-N 262.229 0.854 5 40 CCBB Cc1ccc([N+](=O)[O-])c(OCC(=O)N2CCNC2=O)c1 12822159 WNQCIECAOCLALC-UHFFFAOYSA-N 279.252 0.834 5 40 CCBB COC(=O)CCN1CCN(c2ncccc2[N+](=O)[O-])CC1 63812860 LQKXIROOZYTZSQ-UHFFFAOYSA-N 294.311 0.675 5 40 CCBB C[S@](=O)c1nncn1-c1nc2ccccn2c1[N+](=O)[O-] 79309122 AUZAUFHOBFRSGF-HXUWFJFHSA-N 292.280 0.561 5 40 CCBB CN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 20220104 UGXAXAXNGULUIN-UHFFFAOYSA-N 263.297 0.911 5 40 CCBB CC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 16085128 AQNMGFGFKFMSEG-UHFFFAOYSA-N 287.297 0.009 5 40 CCBB COC(=O)CCC(CCC(=O)OC)([N+](=O)[O-])[N+](=O)[O-] 19319625 HOIDOAUGWVNMMM-UHFFFAOYSA-N 278.217 0.143 5 40 CCBB Cn1ncc([N+](=O)[O-])c1C(=O)n1nnc2ccccc21 78675 ZLLKUJXFTGLMNG-UHFFFAOYSA-N 272.224 0.762 5 40 CCBB CNC(=O)NC(=O)COC(=O)c1cccc([N+](=O)[O-])c1C 3444306 LIFTXBAUGUNEMW-UHFFFAOYSA-N 295.251 0.516 5 40 CCBB O=C1OCC[C@@H]1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 26490155 BXXDPFPAZCPHKY-NSHDSACASA-N 292.295 0.427 5 40 CCBB O=[N+]([O-])c1ccc(NCCNCCO)c([N+](=O)[O-])c1 4045571 ARLKHAFSLBKHMB-UHFFFAOYSA-N 270.245 0.497 5 40 CCBB O=C(CS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCCC1 67172804 SQYZBKYIGAYYSS-UHFFFAOYSA-N 298.320 0.991 5 40 CCBB Cc1ncn(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c(=O)c1C 195557936 OFXBDMUNFPWPPS-LLVKDONJSA-N 293.283 0.026 5 40 CCBB CCNCCCNc1ncc([N+](=O)[O-])cc1C(N)=O 50442605 QAIXJSPMFOXPBJ-UHFFFAOYSA-N 267.289 0.500 5 40 CCBB C=Cn1nnc(NC(=O)c2ccccc2[N+](=O)[O-])n1 10119595 HFOZUYKVPVXABR-UHFFFAOYSA-N 260.213 0.934 5 40 CCBB Nc1nc(N(CCO)Cc2ccccc2)ncc1[N+](=O)[O-] 62022630 KBFDXPFUWCHCLQ-UHFFFAOYSA-N 289.295 0.966 5 40 CCBB N[C@@H]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 50241913 ZDRSNFHPZUULMP-MRVPVSSYSA-N 271.298 0.317 5 40 CCBB CC(C)C(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 13355887 IUBVSPMUTLUQHL-RYUDHWBXSA-N 282.296 0.761 5 40 CCBB biogenic O=[N+]([O-])c1cn[nH]c1N1CCN(c2ncccn2)CC1 6829979 JOJSPLNEFIUZMT-UHFFFAOYSA-N 275.272 0.435 5 40 CCBB CN1C(=O)N/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O 409192415 CGPCRNZJFVTPTG-UQCOIBPSSA-N 291.219 0.846 5 40 CCBB O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@@H]2CNC[C@H]2C1 90322293 WSBREHDVLGAGBL-UWVGGRQHSA-N 297.336 0.435 5 40 CCBB NCCN1CCN(c2ccc([N+](=O)[O-])c(N)c2)CC1 59369970 XEVRLQXGEPNYFD-UHFFFAOYSA-N 265.317 0.258 5 40 CCBB Cn1nc([N+](=O)[O-])c(Br)c1C(=O)O 20313903 LRZZZPBEOYZOHW-UHFFFAOYSA-N 250.008 0.789 5 40 CCBB O=[N+]([O-])c1cc(S(=O)(=O)NCCCO)ccc1Cl 11804473 MDBOFDURKJKAJB-UHFFFAOYSA-N 294.716 0.909 5 40 CCBB O=C1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1 73120282 HDWCPZOQHCALPW-UHFFFAOYSA-N 280.240 0.829 5 40 CCBB O=[N+]([O-])c1ccc2c(ccn2[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)c1 4601254 MNXWZTJAKNRWBN-FDYHWXHSSA-N 294.263 0.161 5 40 CCBB O=[N+]([O-])c1ccc(N2CC(CO)C2)c([N+](=O)[O-])c1 91478386 YQRGOCMPKZQHDC-UHFFFAOYSA-N 253.214 0.932 5 40 CCBB O=C1CN(c2nc3ccccn3c2[N+](=O)[O-])CCN1 9913910 GSSZLOMUNCPEKR-UHFFFAOYSA-N 261.241 0.179 5 40 CCBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC(C)(C)CO 10327872 FREIICLVAVTGDO-UHFFFAOYSA-N 295.295 0.729 5 40 CCBB CONC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 12978514 LERPZBXPIUHSQU-UHFFFAOYSA-N 267.241 0.392 5 40 CCBB O=c1[nH]nc(CNc2nc3sccn3c2[N+](=O)[O-])[nH]1 89885399 VCDQFVGJEJGXCQ-UHFFFAOYSA-N 281.257 0.328 5 40 CCBB O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@H]1COCCO1 56458959 IVJRZEBSVDJHQT-LBPRGKRZSA-N 295.295 0.809 5 40 CCBB O=C1C=C(Nc2ccc([N+](=O)[O-])cc2)C(=O)N1CCO 256055699 QBDWTSNQRFKXHQ-UHFFFAOYSA-N 277.236 0.252 5 40 CCBB O=C(O)Cn1nc([N+](=O)[O-])cc1I 953109661 PNTKAOKESTUGQC-UHFFFAOYSA-N 297.008 0.481 5 40 CCBB C[C@]1(c2ccc([N+](=O)[O-])cc2)NNC(=S)NC1=O 75001 FJULNXYXJROTNO-SNVBAGLBSA-N 266.282 0.319 5 40 CCBB Cc1ccc([N+](=O)[O-])cc1N[C@H]1C[C@H](O)[C@H](CO)O1 1081592 XGKMKROZJTWHQZ-SDDRHHMPSA-N 268.269 0.783 5 40 CCBB CC(=O)N1CCN(c2ccc(C(=O)O)cc2[N+](=O)[O-])CC1 3888758 MAVOKEBVUFLMCU-UHFFFAOYSA-N 293.279 0.962 5 40 CCBB O=[N+]([O-])c1ccc(N[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 40142067 JALRHJXFOPEOCR-NXEZZACHSA-N 272.282 0.165 5 40 CCBB O=C(O)c1cc(N2CCNCC2)ccc1[N+](=O)[O-] 16698254 BTBYYNWGQJULDK-UHFFFAOYSA-N 251.242 0.703 5 40 CCBB COC(=O)c1cc([N+](=O)[O-])ccc1NCc1n[nH]c(=O)[nH]1 75109968 KIXKOUOPXOVDJD-UHFFFAOYSA-N 293.239 0.405 5 40 CCBB CS(=O)(=O)CCNC(=O)Nc1ccccc1[N+](=O)[O-] 40555944 UGVANWNWPZXBTN-UHFFFAOYSA-N 287.297 0.761 5 40 CCBB COC(=O)[C@@H](C)Cn1cc(-n2cc([N+](=O)[O-])cn2)cn1 685936779 YCVGCWJMXSWOAW-QMMMGPOBSA-N 279.256 0.786 5 40 CCBB CCOC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 37668704 FBGQYTITXAHFLG-UHFFFAOYSA-N 281.268 0.957 5 40 CCBB O=c1oc(=O)c2ccc1c1c3ccc(c(=O)oc3=O)c21 100050508 LTJFDOSUOSBWIP-UHFFFAOYSA-N 268.180 0.649 5 40 CCBB CN1CCN(c2ccc([N+](=O)[O-])c3nonc23)CC1 4625735 NKLHPLDRPGAXTQ-UHFFFAOYSA-N 263.257 0.883 5 40 CCBB COCCNC(=S)NNc1ccc([N+](=O)[O-])cn1 408585811 JRBYULMUKBLMOS-UHFFFAOYSA-N 271.302 0.427 5 40 CCBB COc1ccc(COC(=O)c2nonc2N)cc1[N+](=O)[O-] 261936 HSEMTPXJNDUBOY-UHFFFAOYSA-N 294.223 0.926 5 40 CCBB Cc1c([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H]2CCCO2)nn1C 2777704 DTRCNBHBUAMMKH-CBAPKCEASA-N 282.300 0.934 5 40 CCBB C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CC(N)=O 47629443 GOQMVNREEOSRFU-MRVPVSSYSA-N 280.284 0.339 5 40 CCBB CS(=O)(=O)[C@H]1c2cc([N+](=O)[O-])ccc2O[C@@H]1O 96532786 OPLBVKMIFSBWJN-IUCAKERBSA-N 259.239 0.391 5 40 CCBB COc1cc([N+](=O)[O-])ccc1Nc1cc(=O)[nH]c(=O)[nH]1 4046793 XBRYTGKZQZXQLC-UHFFFAOYSA-N 278.224 0.724 5 40 CCBB Nc1nnc(-c2nn(CCF)cc2[N+](=O)[O-])s1 408717456 AWFQDPVWGBWLRI-UHFFFAOYSA-N 258.238 0.862 5 40 CCBB COc1cc(CNC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])ccc1O 48573284 FWSPRECRTUCXEN-IUCAKERBSA-N 266.253 0.682 5 40 CCBB Cc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 4504720 NEWPRWHUECZKAX-JTQLQIEISA-N 298.320 0.820 5 40 CCBB O=C(NCCN1CCOCC1)c1cccc([N+](=O)[O-])c1 20149720 IPZUHHLUDMCLOW-UHFFFAOYSA-N 279.296 0.657 5 40 CCBB Cn1c(CCn2cc([N+](=O)[O-])cn2)n[nH]c1=S 2789547 BGYSGSAYQSWRES-UHFFFAOYSA-N 254.275 0.825 5 40 CCBB Cc1ccc(OCC(=O)NC(=O)NC(C)C)c([N+](=O)[O-])n1 12641173 FDRHESXEQDTBKQ-UHFFFAOYSA-N 296.283 0.911 5 40 CCBB Nc1nc(NCCCN2CCOCC2)ncc1[N+](=O)[O-] 48544011 XECZTYHUTBFGOM-UHFFFAOYSA-N 282.304 0.101 5 40 CCBB COC(=O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 46874074 JMRMSZGFKKAMED-UHFFFAOYSA-N 280.284 0.285 5 40 CCBB O=C1CC(C(F)(F)F)=c2cc([N+](=O)[O-])ccc2=N1 85345439 WWWYAWZUZUTNHC-UHFFFAOYSA-N 258.155 0.858 5 40 CCBB COC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H](O)CO1 52507850 LUNZNFOGWZKSDX-QMMMGPOBSA-N 268.225 0.494 5 40 CCBB O=C(O)c1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1CCO 38342258 UQRZPBDHCBJTBQ-UHFFFAOYSA-N 293.235 0.307 5 40 CCBB in-vitro CCS(=O)(=O)[C@H](CO)C(=O)c1cccc([N+](=O)[O-])c1 96518803 WIFWDUCGLJDYKF-SNVBAGLBSA-N 287.293 0.573 5 40 CCBB COC(=O)C(C(=O)OC)[C@@H](C[N+](=O)[O-])c1ccc(O)cc1 16189599 JDBQTUPOIFWKJS-JTQLQIEISA-N 297.263 0.715 5 40 CCBB O=[N+]([O-])c1ccc2c(c1)-n1cnnc1-c1nncn1-2 4623259 AZGRFXPOSAMFCJ-UHFFFAOYSA-N 255.197 0.737 5 40 CCBB C[C@H](Cn1cccn1)Nc1ncc([N+](=O)[O-])cc1C(N)=O 48299970 VRGDUMWXYAACPC-MRVPVSSYSA-N 290.283 0.786 5 40 CCBB Cc1nn(CC(=O)Nc2cnn(C)c2)c(C)c1[N+](=O)[O-] 25305414 FKHYLHMCVUUWAM-UHFFFAOYSA-N 278.272 0.780 5 40 CCBB CCn1nc(C)c([N+](=O)[O-])c1Nc1cnn(CC(N)=O)c1 192514500 JSRSAJIZVDNMJY-UHFFFAOYSA-N 293.287 0.545 5 40 CCBB O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2nnn[nH]2)c([N+](=O)[O-])c1 104336946 LDUGDTZPAZAOTM-UHFFFAOYSA-N 296.159 0.668 5 40 CCBB O=C(O)[C@@H](Cc1cccc([N+](=O)[O-])c1)N1CCOCC1 57577484 NZUAFJAYXSJMQP-GFCCVEGCSA-N 280.280 0.923 5 40 CCBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC(=O)c1ccc[nH]1 29738057 LFZNZMQOTQHZOW-UHFFFAOYSA-N 290.235 0.041 5 40 CCBB N=C(Nc1ccc([N+](=O)[O-])cn1)N1CCOCC1 225238574 ACFNLGLBCWWENZ-UHFFFAOYSA-N 251.246 0.669 5 40 CCBB C[S@@](=O)c1ccc(NCC(=O)O)c([N+](=O)[O-])c1 5587094 NYRKKZQZTGUCMM-KRWDZBQOSA-N 258.255 0.829 5 40 CCBB CN(Cc1ccsc1)C(=O)Cn1cnc([N+](=O)[O-])n1 48315093 MVAITFCILQMEME-UHFFFAOYSA-N 281.297 0.906 5 40 CCBB CC1(C)N=C(N)N=C(N)N1c1ccc([N+](=O)[O-])cc1 5231540 VBQIIQBXWKJQKX-UHFFFAOYSA-N 262.273 0.780 5 40 CCBB O=c1c(=Cc2ccc([N+](=O)[O-])cc2)sc2n1CCN=2 585680326 NREGANFHQKEHGS-UHFFFAOYSA-N 275.289 0.280 5 40 CCBB CC[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1)C(N)=O 3850896 RLOSQKJFJKAJEA-GFCCVEGCSA-N 265.269 0.979 5 40 CCBB Cc1nn(C)c(C(=O)N2C[C@H](C)O[C@H](C)C2)c1[N+](=O)[O-] 18162222 IMLCAJWCMXCUMS-OCAPTIKFSA-N 282.300 0.886 5 40 CCBB COCc1cc([N+](=O)[O-])ccc1NCCc1n[nH]c(=O)[nH]1 95409121 PUKUJKUPLJEPDJ-UHFFFAOYSA-N 293.283 0.807 5 40 CCBB COCCNC(=O)CSc1ccncc1[N+](=O)[O-] 58162732 BJPZLEKJHVANFO-UHFFFAOYSA-N 271.298 0.845 5 40 CCBB CNS(=O)(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 584634599 RNJSHSJNYFFGPJ-UHFFFAOYSA-N 259.287 0.569 5 40 CCBB Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCO2)n1 2739230 MNBMIMUUKXNROB-SSDOTTSWSA-N 254.246 0.237 5 40 CCBB O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCS(=O)(=O)C1 4064188 UAUUFMHMFUHYBJ-VIFPVBQESA-N 299.308 0.903 5 40 CCBB O=C(NC(=S)N1CCOCC1)c1cccc([N+](=O)[O-])c1 67593 SZWNPSSWUKYVDE-UHFFFAOYSA-N 295.320 0.942 5 40 CCBB COC(=O)c1cc([N+](=O)[O-])ccc1Sc1nncn1N 70462410 XIIHVVGAVNNUGB-UHFFFAOYSA-N 295.280 0.838 5 40 CCBB Cn1cnc([N+](=O)[O-])c1N1CCN(c2ncccn2)CC1 7124450 GUIKRYGOYYKNCT-UHFFFAOYSA-N 289.299 0.445 5 40 CCBB NC(=O)CN1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 69744342 QFUGIRJGRJZEJZ-UHFFFAOYSA-N 292.339 0.240 5 40 CCBB C=CC(=O)OCC[N+](C)(C)CCCS(=O)(=O)O 33610026 ZQRNRKASNNVFAJ-UHFFFAOYSA-O 266.339 0.070 5 40 CCBB COCCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 5250771 XQTMKOOEXWBKSN-UHFFFAOYSA-N 267.241 0.296 5 40 CCBB C[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H](C)O1 13136832 JRIGDKIATMFDRU-OCAPTIKFSA-N 268.273 0.578 5 40 CCBB O=C(NCCNC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])c1ccccc1F 65490395 OAJHFWIHOOPSKW-KOLCDFICSA-N 295.270 0.337 5 40 CCBB Cc1ccc(NCCc2n[nH]c(=O)[nH]2)c([N+](=O)[O-])c1 95409122 IMNQXYNOGWDCNA-UHFFFAOYSA-N 263.257 0.969 5 40 CCBB Cn1cnc([N+](=O)[O-])c1NCC1(O)CCSCC1 101206814 GSFBPEDMUQRYMD-UHFFFAOYSA-N 272.330 0.998 5 40 CCBB CCn1ncc([N+](=O)[O-])c1C(=O)N1CCOCC1 2767282 PSZDGCFTYWUHSB-UHFFFAOYSA-N 254.246 0.284 5 40 CCBB CCOC(=O)[C@H](NC(C)=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 1714351 NSNOEMJKFMGTDG-NEPJUHHUSA-N 296.279 0.696 5 40 CCBB CS(=O)(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 34398449 LIRXDOMEVZTKCF-UHFFFAOYSA-N 256.283 0.913 5 40 CCBB O=[N+]([O-])c1ccc2c(c1)O[Sn]O2 196005972 KMUJSTVXKHPLSD-UHFFFAOYSA-L 271.804 0.900 5 40 CCBB CC[C@H](CO)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 10325542 VSBBOOPCPJYTDR-MRVPVSSYSA-N 281.268 0.420 5 40 CCBB Cc1cc(S(=O)(=O)N2CC[C@H](N)C2)ccc1[N+](=O)[O-] 178970171 RDAUXURFSSMYFU-VIFPVBQESA-N 285.325 0.625 5 40 CCBB N[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 19874311 NKOHCGGKABZBJJ-VIFPVBQESA-N 285.325 0.707 5 40 CCBB CNC(=O)[C@H]1CCCN(c2c([N+](=O)[O-])c(C)nn2C)C1 71894529 WWPZTSKYOJWBKS-VIFPVBQESA-N 281.316 0.599 5 40 CCBB O=C(O)CN1C(=O)N/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O 408593695 NDPIVANAGMQNTF-WEVVVXLNSA-N 291.219 0.572 5 40 CCBB O=[N+]([O-])[C@H]1C[C@@H](O)[C@H](O)C[C@H]1c1ccc2c(c1)OCO2 5048532 KTOWEJLNNWWOAT-UKKRHICBSA-N 281.264 0.660 5 40 CCBB CCOC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 2024579 GQRIPUXKGZZFRC-UHFFFAOYSA-N 288.281 0.436 5 40 CCBB C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO1 28504748 MEAHKWKDWFJJQN-MRVPVSSYSA-N 254.246 0.039 5 40 CCBB O=[N+]([O-])C(Br)(CN1CCCOC1)[N+](=O)[O-] 19324978 JENJFSBDDSYDJU-UHFFFAOYSA-N 284.066 0.268 5 40 CCBB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc([N+](=O)[O-])o1 49099294 YWQHLJWWGRPDIR-HTQZYQBOSA-N 281.268 0.914 5 40 CCBB CS(=O)(=O)Cc1cc(C(=O)O)ccc1[N+](=O)[O-] 96532825 TUYVDFWOWSMHKG-UHFFFAOYSA-N 259.239 0.838 5 40 CCBB CC(=O)Nc1cc(SC[C@@H](O)CO)cc([N+](=O)[O-])c1 2760487 CGUQPNPMMZOPCX-JTQLQIEISA-N 286.309 0.999 5 40 CCBB CC[C@H](C)NC(=O)Cn1c(C)ccc([N+](=O)[O-])c1=O 96552986 AJKBUPYCTHJWQC-QMMMGPOBSA-N 267.285 0.980 5 40 CCBB O=c1[nH]c2ccc3c(=O)n(O)c(=O)c4ccc1c2c34 11691662 MWEAMDQQSYQAGH-UHFFFAOYSA-N 254.201 0.469 5 40 CCBB CNC(=O)COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 12656833 SSZDKALZOREFBE-QPJJXVBHSA-N 264.237 0.897 5 40 CCBB Cc1nc2cc3nc4[nH]c(=O)[nH]c(=O)c4nc3cc2[nH]1 6816736 IJPSLRIGMXTDPY-UHFFFAOYSA-N 268.236 0.344 5 40 CCBB O=C(O)c1c2ccccc2nc2[nH]c(=O)[nH]c(=O)c12 1580880 QBYSISHGTFQZKT-UHFFFAOYSA-N 257.205 0.463 5 40 CCBB CCOCCCNC(=O)Cn1cc([N+](=O)[O-])cn1 28276536 QWPCTBQXSRAXBN-UHFFFAOYSA-N 256.262 0.334 5 40 CCBB NC(=O)c1ccc(Sc2ncn[nH]2)c([N+](=O)[O-])c1 7780880 BVTWGEFXLKBPFZ-UHFFFAOYSA-N 265.254 0.963 5 40 CCBB COCc1nn(Cc2ccccc2[N+](=O)[O-])c(=O)o1 79106752 IXKKECNHPPIUKA-UHFFFAOYSA-N 265.225 0.939 5 40 CCBB COC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 284833 QVGXMGDIBGEXQX-UHFFFAOYSA-N 252.226 0.806 5 40 CCBB CC(=O)OCn1nc([N+](=O)[O-])nc1Br 1505145 IVVGUIFWAJQBHM-UHFFFAOYSA-N 265.023 0.469 5 40 CCBB Cc1c([N+](=O)[O-])cnn1CCC(=O)NC[C@@H]1CCCO1 2781989 USKNELUFPAMYAS-JTQLQIEISA-N 282.300 0.785 5 40 CCBB O=[N+]([O-])c1c(N2CCN(CCO)CC2)nc2ccccn12 21673561 DWYMEPWQVAKKAA-UHFFFAOYSA-N 291.311 0.357 5 40 CCBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCCC1 5039058 SSCNFJHBWXFEBD-UHFFFAOYSA-N 251.242 0.379 5 40 CCBB O=[N+]([O-])c1cn(Cc2cn(-c3ccccc3)nn2)nn1 222022273 ATXFQIMFZWJFLF-UHFFFAOYSA-N 271.240 0.815 5 40 CCBB O=C1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C(=O)N1 89752744 PRDSXSMCPPAFHU-SNVBAGLBSA-N 291.263 0.059 5 40 CCBB O=[N+]([O-])c1cc(-n2cnnc2)ccc1N1CCNCC1 70461785 MLJGPQSUXYPZAM-UHFFFAOYSA-N 274.284 0.585 5 40 CCBB C[N+](C)(C)CCCOC(=O)[C@@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 104184258 KGVAXSKIRIKILG-YYHQMBLXSA-N 282.360 0.824 5 40 CCBB O=C(NCc1ncc[nH]1)c1ccc([N+](=O)[O-])cc1O 97109062 PKCVMWJKOYKCAE-UHFFFAOYSA-N 262.225 0.954 5 40 CCBB CC(C)C(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 13355879 IUBVSPMUTLUQHL-NWDGAFQWSA-N 282.296 0.761 5 40 CCBB biogenic CN([C@H]1CCNC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 71310260 JAHDNLRSRKVVNC-JTQLQIEISA-N 285.325 0.577 5 40 CCBB O=C1NC2=C(C(=O)OC2)[C@H](c2cccc([N+](=O)[O-])c2)N1 813615 SXPVXOXPVQIAIA-JTQLQIEISA-N 275.220 0.760 5 40 CCBB CN(C(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C(N)=O 3850915 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O=C(Cc1ccccc1[N+](=O)[O-])NCCN1CCOCC1 33516777 XFLWAMNVAJIBST-UHFFFAOYSA-N 293.323 0.586 5 40 CCBB O=C(NN1CCOCC1)c1ccccc1[N+](=O)[O-] 2780084 HNMWBRMVCONUJI-UHFFFAOYSA-N 251.242 0.572 5 40 CCBB O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1=COCCO1 3077966 XVTOIRYQVVYQCF-LLVKDONJSA-N 294.263 0.633 5 40 CCBB CC(=O)N/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCO 4526247 BAMFIDKKXJQNNB-XYOKQWHBSA-N 293.279 0.180 5 40 CCBB N[C@@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 19874305 HPDQDPOKFQFIBA-SECBINFHSA-N 285.325 0.707 5 40 CCBB O=C(O)CN1C(=O)C(=O)c2cc([N+](=O)[O-])ccc21 5066622 VSMNTSUUSRHMSP-UHFFFAOYSA-N 250.166 0.209 5 40 CCBB COC[C@H](C)NC(=O)C(=O)Nc1ccc(C)cc1[N+](=O)[O-] 10327463 PMRCQZFPSQSLFJ-VIFPVBQESA-N 295.295 0.993 5 40 CCBB CCOC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 15083652 TXKKIRXDWCKUDF-UHFFFAOYSA-N 282.208 0.825 5 40 CCBB CCS(=O)(=O)[C@@H](CO)C(=O)c1ccc([N+](=O)[O-])cc1 96518796 PSWLIHBDINUPKD-JTQLQIEISA-N 287.293 0.573 5 40 CCBB Cc1ncc([N+](=O)[O-])n1CCOP(=O)(O)O 1855987 GFFOAZOYBIIJHI-UHFFFAOYSA-N 251.135 0.209 5 40 CCBB in-man CN1[C@@H]2CC[C@@H]1CC(NC(=O)c1cc([N+](=O)[O-])[nH]n1)C2 2803634 OEJPVKDPLTZPRN-RKDXNWHRSA-N 279.300 0.673 5 40 CCBB COC(=O)c1cc(N2CCOCC2)cc(N)c1[N+](=O)[O-] 115738509 SPUYYZLFCCMVTK-UHFFFAOYSA-N 281.268 0.800 5 40 CCBB O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCCNC1=O 89780850 UWCGHAREIVXVPK-JTQLQIEISA-N 278.268 0.995 5 40 CCBB CCOc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)NC2=O)c1O 409045224 FYOIALPCHBYPLC-XBXARRHUSA-N 293.235 0.879 5 40 CCBB CN1CCN(c2ccc(-n3cnnc3)cc2[N+](=O)[O-])CC1 70461786 ZLMOFJFBSLLIAN-UHFFFAOYSA-N 288.311 0.927 5 40 CCBB O=C1N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1[N+](=O)[O-] 40167150 LXCBAYNWTLCZAX-XVKPBYJWSA-N 297.292 0.290 5 40 CCBB C[C@H]1CN[C@H](C)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 38958008 QTIXFNWKDRZEGF-ZJUUUORDSA-N 299.352 0.966 5 40 CCBB COc1ccc(N2C[C@H](C(N)=O)CC2=O)cc1[N+](=O)[O-] 45952951 WHRXTGBLAKEIOH-SSDOTTSWSA-N 279.252 0.442 5 40 CCBB O=C(OCC(=O)N1CCCC1)c1ccc([N+](=O)[O-])o1 3232479 PFUUBAWKXPLBEY-UHFFFAOYSA-N 268.225 0.967 5 40 CCBB COCCNC(=S)NNc1ncccc1[N+](=O)[O-] 408585078 BZMHWWDSUQPTPK-UHFFFAOYSA-N 271.302 0.427 5 40 CCBB C[C@H](O)CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 35119180 FTNBXTNGYLUQTN-LURJTMIESA-N 294.716 0.907 5 40 CCBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N(CCO)CCO 37981380 DWLQZIZXKYRAIX-UHFFFAOYSA-N 288.687 0.675 5 40 CCBB O=C(O)c1cccn(-c2ccc([N+](=O)[O-])nc2)c1=O 32918512 QKXBBWYZIWDWBV-UHFFFAOYSA-N 261.193 0.839 5 40 CCBB Cc1ccnc(N2CCN(CCCO)CC2)c1[N+](=O)[O-] 96406520 HEUSGOZDOKTKGB-UHFFFAOYSA-N 280.328 0.803 5 40 CCBB CCO[C@]1(O)C[C@H](n2cc([N+](=O)[O-])nc2C)[C@H]2CO[C@H]1O2 103000015 OXSXUEROEPJIRU-BSJXLVFVSA-N 299.283 0.511 5 40 CCBB COC[C@@H](O)CN1CCc2ccc([N+](=O)[O-])cc2C1 88616510 ZPGCGIVKOIEWCS-ZDUSSCGKSA-N 266.297 0.960 5 40 CCBB COc1ccc(N2C[C@@H](C(N)=O)CC2=O)cc1[N+](=O)[O-] 45952954 WHRXTGBLAKEIOH-ZETCQYMHSA-N 279.252 0.442 5 40 CCBB O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC2(CC1)OCCO2 24999053 BFKATZLOBKNPAR-UHFFFAOYSA-N 296.283 0.157 5 40 CCBB C[C@@H]1[C@@]2([N+](=O)[O-])C=C[C@@H](C)[C@]1([N+](=O)[O-])CN(C)C2 36034420 ODIZRZKFOUMOQL-GWOFURMSSA-N 255.274 0.805 5 40 CCBB COC(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)o1 550950 ZCCALWFTXNOEHK-UHFFFAOYSA-N 252.186 0.614 5 40 CCBB CN(C)CCCNC[C@H](O)COc1cccc([N+](=O)[O-])c1 7987480 FELGOMRSFVUAAG-ZDUSSCGKSA-N 297.355 0.876 5 40 CCBB NC1=NC(=S)N[C@@H](c2ccc([N+](=O)[O-])cc2)N1 34926962 MDLHZOATDZVHQI-ZETCQYMHSA-N 251.271 0.386 5 40 CCBB C[C@@H](C(=O)O)n1cc(-n2cc([N+](=O)[O-])cn2)cn1 685936736 URWVQNKJAINYKC-LURJTMIESA-N 251.202 0.623 5 40 CCBB NC(=O)C1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 33028050 RZINVZDWVKBFKR-UHFFFAOYSA-N 292.295 0.515 5 40 CCBB CS(=O)(=O)c1nc([N+](=O)[O-])nn1Cc1ccccc1 3616012 GUVWBXIKKNMESX-UHFFFAOYSA-N 282.281 0.638 5 40 CCBB O=C1Nc2ccc([N+](=O)[O-])cc2[C@@]1(O)N1CCOCC1 4155881 FTLWAFXNQCWRGD-LBPRGKRZSA-N 279.252 0.024 5 40 CCBB COCCNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 2781399 TUKGHENAWSBXAZ-UHFFFAOYSA-N 294.267 0.809 5 40 CCBB CCNC(=O)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 28004754 PFSUCMUVGSMXDA-UHFFFAOYSA-N 265.225 0.639 5 40 CCBB CO[C@H]1CNC[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1C 195554120 XHLDGDUTGPQKAU-AAEUAGOBSA-N 293.323 0.549 5 40 CCBB COc1ccc([N+](=O)[O-])cc1N1C[C@H](C(N)=O)CC1=O 45953044 RTUPEPKKKAKVTO-SSDOTTSWSA-N 279.252 0.442 5 40 CCBB O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1COCCO1 56458958 IVJRZEBSVDJHQT-GFCCVEGCSA-N 295.295 0.809 5 40 CCBB Nc1c([N+](=O)[O-])c(N)c([N+](=O)[O-])c(N)c1[N+](=O)[O-] 77319612 JDFUJAMTCCQARF-UHFFFAOYSA-N 258.150 0.158 5 40 CCBB in-vitro CCOC(=O)c1cnn(Cn2ccc([N+](=O)[O-])n2)c1 95098443 ZBNIUAIGKSPTPZ-UHFFFAOYSA-N 265.229 0.670 5 40 CCBB COCCNc1nc2ccccn2c(=O)c1[N+](=O)[O-] 26029896 LZEHZBKWCXBJBP-UHFFFAOYSA-N 264.241 0.661 5 40 CCBB Cn1c(=O)c(=O)n(C)c2c3nsnc3c([N+](=O)[O-])cc21 6668017 RXNSDBDBZWGTCF-UHFFFAOYSA-N 293.264 0.150 5 40 CCBB CNC(=O)CN(C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 32736308 DHKBNMAFYJDWJM-VOTSOKGWSA-N 277.280 0.812 5 40 CCBB NC(=O)[C@H]1CC(=O)N(CCNc2ccc([N+](=O)[O-])cc2)C1 45958707 NSMSAXZMKZDGPZ-VIFPVBQESA-N 292.295 0.341 5 40 CCBB Cn1ccc(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1 25254717 FGRDBUGUHUJKNI-UHFFFAOYSA-N 261.237 0.978 5 40 CCBB N[C@@H](CSCC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 27525910 XOAMWMIHWGZFGJ-VIFPVBQESA-N 284.293 0.923 5 40 CCBB Cc1ccc([N+](=O)[O-])cc1N[C@@H]1CS(=O)(=O)C[C@@H]1O 31773384 DDEHTPZHCAVLEM-MNOVXSKESA-N 286.309 0.473 5 40 CCBB Cc1c([N+](=O)[O-])c(C(=O)N2CCN3CCC[C@@H]3C2)nn1C 371771 ONFZYGAWXCLFST-SNVBAGLBSA-N 293.327 0.557 5 40 CCBB CCOC(=O)CCN(C)C(=O)Cn1cc([N+](=O)[O-])cn1 44474583 DPWJTCOQWXGPFJ-UHFFFAOYSA-N 284.272 0.203 5 40 CCBB CCNC(=O)c1cc2c(=O)n3ccccc3nc2n(C)c1=N 100912468 JIXYNXCIDIRHSF-UHFFFAOYSA-N 297.318 0.415 5 40 CCBB Cc1cc([N+](=O)[O-])ccc1N[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]1O 4798306 SMOCAIOGNVIDED-INBRJWNWSA-N 298.295 0.143 5 40 CCBB Cc1cc(C(=O)O[C@H](C)C(N)=O)ccc1[N+](=O)[O-] 7532186 HASUQCHBMQEYCI-SSDOTTSWSA-N 252.226 0.934 5 40 CCBB C[C@H]1CN(C(=O)CCn2cnc([N+](=O)[O-])c2)C[C@@H](C)O1 24264023 XBULSHFFBGLLFR-AOOOYVTPSA-N 282.300 0.817 5 40 CCBB Cc1nn(C)c(NCCNC(=O)C(C)C)c1[N+](=O)[O-] 48545458 FLYAKAHFOXRJEM-UHFFFAOYSA-N 269.305 0.821 5 40 CCBB O=[N+]([O-])c1ccc(N2CCN(CCO)CC2)nc1 12775869 JNPCLGYWUHYNLR-UHFFFAOYSA-N 252.274 0.104 5 40 CCBB Br/C=C\C[N+]12CN3CN(CN(C3)C1)C2 19339048 BRXCOBFUGZUNMH-UPHRSURJSA-N 260.159 0.404 5 40 CCBB Cc1c([N+](=O)[O-])c(C(=O)N2CCN3CCC[C@H]3C2)nn1C 371768 ONFZYGAWXCLFST-JTQLQIEISA-N 293.327 0.557 5 40 CCBB Cc1cc(S(C)(=O)=O)cc([N+](=O)[O-])c1N1CCNCC1 15443669 QPJJKMMOKHYSIW-UHFFFAOYSA-N 299.352 0.716 5 40 CCBB Nc1nc(N2CCC[C@@H](c3nc[nH]n3)C2)ncc1[N+](=O)[O-] 75094405 RZPNFBDIYWVRMV-SSDOTTSWSA-N 290.287 0.469 5 40 CCBB CCOC(=O)[C@H](C)n1cc(C(N)=O)c([N+](=O)[O-])n1 238853026 HXJCVWVSIHHHAG-YFKPBYRVSA-N 256.218 0.014 5 40 CCBB C[C@H](N)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 9426201 ANJRCTXHWLNLRC-ZETCQYMHSA-N 259.287 0.220 5 40 CCBB CS[C@H](CO)[C@@H](C)Nc1c([N+](=O)[O-])ncn1C 76018808 WWFPWVSGIMOFMY-RNFRBKRXSA-N 260.319 0.853 5 40 CCBB CC(C)(N)CNS(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 225479295 RZOZBWYFJQJMAE-UHFFFAOYSA-N 291.304 0.750 5 40 CCBB COCCNC(=O)CSc1[nH]nc(C)c1[N+](=O)[O-] 6160734 QUKLPNJROMBCDR-UHFFFAOYSA-N 274.302 0.481 5 40 CCBB C[C@@H]1CN(C(=O)CCn2cnc([N+](=O)[O-])c2)C[C@@H](C)O1 24264020 XBULSHFFBGLLFR-NXEZZACHSA-N 282.300 0.817 5 40 CCBB O=[N+]([O-])c1ccc2c(c1)=[N+]([O-])C1(CCCCC1)[N+]=2[O-] 19331851 AUYXGRJVKAVYEZ-UHFFFAOYSA-N 263.253 0.247 5 40 CCBB O=C(Nc1cc(=O)[nH]c(O)n1)c1cccc([N+](=O)[O-])c1 2711329 POBLJFCKEOOMBO-UHFFFAOYSA-N 276.208 0.636 5 40 CCBB O=[N+]([O-])c1ccc([C@H](O)CN2CCOCC2)cc1 25336393 DIRKSYGVKZZVQF-GFCCVEGCSA-N 252.270 0.960 5 40 CCBB Cc1c/c(=N/O)c2c(O)c([N+](=O)[O-])coc-2[n+]1[O-] 104211987 LJIMYXDMFDUHIU-YHYXMXQVSA-N 253.170 0.230 5 40 CCBB C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCO1 11288101 KQPNHJQILYQUTQ-VIFPVBQESA-N 281.268 0.004 5 40 CCBB COC(=O)c1n[nH]c([N+](=O)[O-])c1Br 14007551 XUVCMPFCEGCQFA-UHFFFAOYSA-N 250.008 0.867 5 40 CCBB in-vitro 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STXSWNHTYWYHOJ-UHFFFAOYSA-N 266.305 0.499 5 40 CCBB C[C@H](NC(N)=O)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 3303069 LXLNGDOVFKKNHF-YFKPBYRVSA-N 270.220 0.729 5 40 CCBB NC(=O)CC[C@H](Nc1ccc([N+](=O)[O-])cc1)C(=O)O 5161929 IMTMBDXEKMXETQ-VIFPVBQESA-N 267.241 0.725 5 40 CCBB C[C@@H](CO)N1CCN(c2cc(CO)ccc2[N+](=O)[O-])CC1 95993844 HPTYQKSHGGALNV-NSHDSACASA-N 295.339 0.590 5 40 CCBB CS(=O)(=O)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 96034467 WSVJGEFPSYRVKT-UHFFFAOYSA-N 294.310 0.320 5 40 CCBB O=C(O)CNc1c([N+](=O)[O-])cc(C(=O)O)cc1[N+](=O)[O-] 33948582 YXLLKDIVMDHXCW-UHFFFAOYSA-N 285.168 0.698 5 40 CCBB Cc1nn(C)c(N(C)CC(=O)N(C)C)c1[N+](=O)[O-] 47331086 HOAYEHCNSUQOGK-UHFFFAOYSA-N 255.278 0.161 5 40 CCBB Cc1nn(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)c1C 195578507 NOJCJMOISDTPGK-LBPRGKRZSA-N 279.300 0.974 5 40 CCBB C[C@H]1CN(C)[C@H](C)CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 95454188 NNXMTZCRMBVIHR-MDZLAQPJSA-N 297.359 0.177 5 40 CCBB CC1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 8295884 UIFFHJTYZUSCST-UHFFFAOYSA-N 253.262 0.445 5 40 CCBB CN(C)CCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 5508992 JUPJZPXHCCVKBQ-UHFFFAOYSA-N 287.341 0.825 5 40 CCBB CNC(=O)COC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 3313906 JHZAUKZOWPZALQ-UHFFFAOYSA-N 296.235 0.284 5 40 CCBB O=C(CNc1ccccc1[N+](=O)[O-])N1CCC(O)CC1 48324763 LDRGOFHTXNRECQ-UHFFFAOYSA-N 279.296 0.990 5 40 CCBB C[C@@H](O)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O 2060999848 CQPZZTYICDQWBI-XCBNKYQSSA-N 282.252 0.088 5 40 CCBB C[C@@H](O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 1685562 VBNQFMDAUUHCAE-HZGVNTEJSA-N 268.225 0.159 5 40 CCBB O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1CCNC1 52093318 XTRZZBUDMXMVCC-QMMMGPOBSA-N 271.298 0.235 5 40 CCBB CN(CCO)c1cc(N)c([N+](=O)[O-])c2nonc12 4309950 XEBSOVZNCHWAFO-UHFFFAOYSA-N 253.218 0.142 5 40 CCBB Cc1nn([C@H](C)C(=O)NN2CCOCC2)cc1[N+](=O)[O-] 2775150 QZLVUQXWLKYQBT-SECBINFHSA-N 283.288 0.024 5 40 CCBB Cc1nn(CC(=O)Nc2nncs2)c(C)c1[N+](=O)[O-] 21213355 AFTRBIRSVXRHMP-UHFFFAOYSA-N 282.285 0.898 5 40 CCBB CNc1nc(N)c([N+](=O)[O-])c(N2CCCCC2)n1 5111498 GLXSYHXPXDKCFR-UHFFFAOYSA-N 252.278 0.999 5 40 CCBB CCN1C[C@@]2([N+](=O)[O-])C[C@]([N+](=O)[O-])(CC=C2OC)C1 12585428 JDKWUZZQGAMSQJ-MNOVXSKESA-N 271.273 0.677 5 40 CCBB COC(=O)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 5720359 OAFPGKQHBHGZQQ-UHFFFAOYSA-N 254.198 0.715 5 40 CCBB NCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 20394391 QOVMSYJDIIBFOX-UHFFFAOYSA-N 250.302 0.676 5 40 CCBB Cc1nnc(NC(=O)c2n[nH]cc2[N+](=O)[O-])s1 6413658 QCYCROGRGFMRLZ-UHFFFAOYSA-N 254.231 0.730 5 40 CCBB COC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 35178492 QKPRPDVPYDVQBF-ZETCQYMHSA-N 268.225 0.965 5 40 CCBB Cc1cc(N[C@H]2CCC(=O)NC2)ncc1[N+](=O)[O-] 73000429 RDNNQVARKZQRAX-QMMMGPOBSA-N 250.258 0.989 5 40 CCBB NC(=O)NC(=O)COC(=O)c1ccc([N+](=O)[O-])s1 2638684 RWYUSTPBLUWPBA-UHFFFAOYSA-N 273.226 0.008 5 40 CCBB O=c1[nH]c(NC2CCCCC2)c([N+](=O)[O-])c(=O)[nH]1 4114210 WNBDIMFRUQLZPK-UHFFFAOYSA-N 254.246 0.716 5 40 CCBB C[C@@H](CO)CC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C 113356640 LLTZCMHGDVZAGS-NXEZZACHSA-O 262.326 0.098 5 40 CCBB O=C(CN(CCO)CCO)c1ccc([N+](=O)[O-])cc1 1717618 CSQPFFZQSRWFFS-UHFFFAOYSA-N 268.269 0.064 5 40 CCBB Cc1c([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H]2CCCO2)nn1C 2777703 DTRCNBHBUAMMKH-VXNVDRBHSA-N 282.300 0.934 5 40 CCBB CN1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 5930081 LFKHWJQLORRDOM-UHFFFAOYSA-N 278.312 0.836 5 40 CCBB COc1cc([N+](=O)[O-])c(OC)cc1-n1cnnn1 6627485 DEGVXWMRQJFGBY-UHFFFAOYSA-N 251.202 0.588 5 40 CCBB O=[N+]([O-])c1ccc(S(=O)(=O)NCC2CCNCC2)cc1 44503880 IYDDGXNMFZGJBY-UHFFFAOYSA-N 299.352 0.873 5 40 CCBB N[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O 4899644 OVCIKXKSHVVZSW-QMMMGPOBSA-N 253.214 0.335 5 40 CCBB COc1ccc([N+](=O)[O-])c2c1CON[C@]2(C)C(=O)O 16973839 JGXCJRNIPDLCKU-NSHDSACASA-N 268.225 0.938 5 40 CCBB Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C(=O)O)C1 22158775 FMOFXMHTAXZZKM-MRVPVSSYSA-N 281.268 0.870 5 40 CCBB O=[N+]([O-])c1cccc(S(=O)(=O)NC2CCNCC2)c1 19258703 OCCLWMVKPUPMKJ-UHFFFAOYSA-N 285.325 0.625 5 40 CCBB C[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1 17008763 NSVFNEMMHOLHCF-AOOOYVTPSA-N 282.300 0.817 5 40 CCBB C[C@H](O)CN1CCN(c2ccncc2[N+](=O)[O-])CC1 69846194 XLEIEALQLLLIKQ-JTQLQIEISA-N 266.301 0.493 5 40 CCBB COC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H](O)CO1 52507854 LUNZNFOGWZKSDX-MRVPVSSYSA-N 268.225 0.494 5 40 CCBB Cc1cc([N+](=O)[O-])ccc1N[C@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O 3999703 SMOCAIOGNVIDED-HPMQQCADSA-N 298.295 0.143 5 40 CCBB biogenic O=C1N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1[N+](=O)[O-] 40167152 LXCBAYNWTLCZAX-GMSGAONNSA-N 297.292 0.290 5 40 CCBB CS(=O)(=O)Oc1cc2c(cc1[N+](=O)[O-])OCO2 30952880 KQYOHMNMGHNRSQ-UHFFFAOYSA-N 261.211 0.662 5 40 CCBB COC(=O)CSc1nc2ccccn2c(=O)c1[N+](=O)[O-] 24057755 XLMHPHMIMYGRDS-UHFFFAOYSA-N 295.276 0.868 5 40 CCBB C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)CN1 86468461 BHSAAKDZSMOFQQ-NXEZZACHSA-N 299.352 0.966 5 40 CCBB C[C@H](O)C[N@@+]1(C)C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 252463035 YHYFKNRSINQAGF-ZBYUQBLASA-N 263.361 0.793 5 40 CCBB biogenic Cc1ccc(OCC(=O)N2CCNC2=O)c([N+](=O)[O-])c1 12766460 JOGYFUCLDHMFRE-UHFFFAOYSA-N 279.252 0.834 5 40 CCBB O=C(Cn1ccc([N+](=O)[O-])n1)NCc1ccncc1 4707260 TZJLAZZTAKEGBC-UHFFFAOYSA-N 261.241 0.503 5 40 CCBB CC1([N+](=O)[O-])COP(=O)(NC[C@@H]2CCCO2)OC1 1667920 LYNSFWWVGMXTTH-AMSAKSMPSA-N 280.217 0.945 5 40 CCBB Cc1cc([N+](=O)[O-])ccc1N[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O 4798310 SMOCAIOGNVIDED-RCGNDRPLSA-N 298.295 0.143 5 40 CCBB CN(C(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1 58520378 UURJPWRZXFZUNW-SECBINFHSA-N 298.320 0.992 5 40 CCBB Cc1nn(C)c(C(=O)N2CCOCC2)c1[N+](=O)[O-] 2767403 IEPXXPDRASXTJK-UHFFFAOYSA-N 254.246 0.109 5 40 CCBB CCS(=O)(=O)CCn1cc([N+](=O)[O-])c(C)cc1=O 84811064 RQWMDZFILVFAEM-UHFFFAOYSA-N 274.298 0.500 5 40 CCBB O=CN1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 13632418 ATOUHHDCZPMIGR-SNAWJCMRSA-N 289.291 0.909 5 40 CCBB N=C(Nc1ncccc1[N+](=O)[O-])N1CCC(N)CC1 225242878 CLECMCDBBMKUSL-UHFFFAOYSA-N 264.289 0.760 5 40 CCBB CC(=O)c1cn(-c2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O 481058 OTIRYDAMIBRTPK-UHFFFAOYSA-N 289.247 0.647 5 40 CCBB O=[N+]([O-])c1nccn1CCCn1ccnc1[N+](=O)[O-] 1580431 KZWBLRKBHUWJPP-UHFFFAOYSA-N 266.217 0.986 5 40 CCBB N[C@H](CCC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1 4521528 JXQXNQKTUGNZLD-SECBINFHSA-N 267.241 0.725 5 40 CCBB Cc1nn(C)cc1[C@H](C)NC(=O)c1nn(C)cc1[N+](=O)[O-] 2782213 SXAAGPLJJRLCIV-ZETCQYMHSA-N 292.299 0.861 5 40 CCBB CCc1cc([N+](=O)[O-])ccc1N1C[C@H](C(N)=O)CC1=O 226314701 JWXUHYZFPOZAJL-SECBINFHSA-N 277.280 0.995 5 40 CCBB C[C@@H](CO)CC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C 113356637 LLTZCMHGDVZAGS-ZJUUUORDSA-O 262.326 0.098 5 40 CCBB CC(=O)[C@H]1C(=O)C(=O)N(c2cccc([N+](=O)[O-])c2)C1=O 102971512 FPTIUKDQCKIZFQ-VIFPVBQESA-N 276.204 0.242 5 40 CCBB CCCCCCn1c([N+](=O)[O-])nc2c1c(=O)[nH]c(=O)n2C 2252463 ZAAKRTWPXTWQGG-UHFFFAOYSA-N 295.299 0.912 5 40 CCBB Cc1nn(C)cc1[C@@H](C)NC(=O)c1nn(C)cc1[N+](=O)[O-] 2782212 SXAAGPLJJRLCIV-SSDOTTSWSA-N 292.299 0.861 5 40 CCBB Nc1c(C(=O)N2CCOCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 5002619 ILLDWURKEZKGHW-UHFFFAOYSA-N 296.239 0.558 5 40 CCBB O=C1C[C@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])CN1 65402407 VIUKLGJAKNUOBE-VIFPVBQESA-N 292.295 0.259 5 40 CCBB O=[N+]([O-])c1ccc(N2CCN(CCO)CC2)c([N+](=O)[O-])c1 19286090 OTIKRXAYHNUNSB-UHFFFAOYSA-N 296.283 0.617 5 40 CCBB Cc1cc(N2CCN(CCCO)CC2)ncc1[N+](=O)[O-] 74745189 BORDRVMYEUEOAP-UHFFFAOYSA-N 280.328 0.803 5 40 CCBB CCOC(=O)c1c(N)[nH]n(-c2ccccc2[N+](=O)[O-])c1=O 16682980 DYCXJZBIXGESHW-UHFFFAOYSA-N 292.251 0.833 5 40 CCBB C[C@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)CN1 86468797 QTIXFNWKDRZEGF-UWVGGRQHSA-N 299.352 0.966 5 40 CCBB CNC(=O)CNC(=O)c1cc([N+](=O)[O-])ccc1OC 25265513 LGAGLXCAYOQBTR-UHFFFAOYSA-N 267.241 0.079 5 40 CCBB NC1=NC(=S)N[C@H](c2ccccc2[N+](=O)[O-])N1 34926925 ZZJRDIKQBKIACB-SSDOTTSWSA-N 251.271 0.386 5 40 CCBB O=c1c([N+](=O)[O-])cc(Cl)cn1CCOCCO 95981539 HOVNBUHSTXKURG-UHFFFAOYSA-N 262.649 0.419 5 40 CCBB O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1CCOCC1 32765439 KUPMPYFZHDGKBN-UHFFFAOYSA-N 276.252 0.944 5 40 CCBB Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nnc[nH]1 61844949 YYGNWEGQUAYCAL-UHFFFAOYSA-N 283.269 0.822 5 40 CCBB COc1ccc([C@@H]2[C@@H](O)[C@H](O)[C@@H](C)[N+]2(C)C)cc1OC 4082199 QGJMCYCZPPSDJM-SEWBAHNZSA-N 282.360 0.945 5 40 CCBB biogenic CN1CC2=C(C1=O)[C@@H](c1ccc([N+](=O)[O-])cc1)NC(=O)N2 4854681 MHXOUIYGXYRGDF-LLVKDONJSA-N 288.263 0.675 5 40 CCBB O=C(O)/C=C/C(=O)Nc1cc(O)ccc1[N+](=O)[O-] 33394571 BJBBZPROXHUOGW-ONEGZZNKSA-N 252.182 0.880 5 40 CCBB Cc1nn([C@H](C)C(=O)NC(N)=O)c(C)c1[N+](=O)[O-] 7007226 SLLYWLKKPHUIFY-ZCFIWIBFSA-N 255.234 0.164 5 40 CCBB O=C(NC(=S)N1CCOCC1)c1ccccc1[N+](=O)[O-] 559771 FYULRBMSISWDPG-UHFFFAOYSA-N 295.320 0.942 5 40 CCBB C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N1CCNC1=O 12778212 IYWPBZUKLNJWLQ-QMMMGPOBSA-N 279.252 0.914 5 40 CCBB COc1cc(CNC(=O)[C@H]2C[C@H]2[N+](=O)[O-])ccc1O 48573289 FWSPRECRTUCXEN-DTWKUNHWSA-N 266.253 0.682 5 40 CCBB CNC(=O)[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CCO1 97082046 PYIGZJFYRKWASC-GFCCVEGCSA-N 297.286 0.681 5 40 CCBB COC(=O)COC(=O)Cc1ccccc1[N+](=O)[O-] 10025157 VJQVBBWTPQYTIJ-UHFFFAOYSA-N 253.210 0.854 5 40 CCBB CCN[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)O 5257940 CCSGRXRNYWOHBK-JTQLQIEISA-N 281.268 0.986 5 40 CCBB NC(=O)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)n1 72271729 SHTLTQAKQOKTJP-UHFFFAOYSA-N 274.236 0.299 5 40 CCBB O=C(O)Cn1nc([N+](=O)[O-])cc1Br 953109644 BQPDKBXTFZCVDF-UHFFFAOYSA-N 250.008 0.638 5 40 CCBB O=c1[nH]nc(CCCNc2ncccc2[N+](=O)[O-])[nH]1 76093007 SGQJZBCWIVINBB-UHFFFAOYSA-N 264.245 0.446 5 40 CCBB CONC(=O)CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 25826059 DVRAZSQEFMFWED-UHFFFAOYSA-N 267.241 0.311 5 40 CCBB CCn1cc([N+](=O)[O-])c(-n2cc(C(=O)OC)cn2)n1 253400836 MAFUUSBNOBWDAE-UHFFFAOYSA-N 265.229 0.784 5 40 CCBB CN(C[C@@H]1CCOC1)c1ncc([N+](=O)[O-])c(N)n1 96453836 IGRUNVFUHBZKRR-ZETCQYMHSA-N 253.262 0.440 5 40 CCBB Cn1cc([N+](=O)[O-])c(C(=O)n2nnc3ccccc32)n1 303554 WOXDNOFUHSYJAZ-UHFFFAOYSA-N 272.224 0.762 5 40 CCBB Cc1c(C(=O)O)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 68575502 IBHZUXQNTMJESS-UHFFFAOYSA-N 260.227 0.249 5 40 CCBB in-vitro NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ncn[nH]1 70462404 TXJYMKNCECSCIK-UHFFFAOYSA-N 265.254 0.963 5 40 CCBB O=C1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CCN1 23419777 BZLYICLOLAMUJO-UHFFFAOYSA-N 263.253 0.096 5 40 CCBB COc1ccc(-n2nnnc2-n2cccn2)cc1[N+](=O)[O-] 39389354 ZZQUBLXPFCIXAO-UHFFFAOYSA-N 287.239 0.765 5 40 CCBB O=[N+]([O-])c1nc([N+](=O)[O-])n([C@@H]2CCCC[C@@H]2O)n1 4357157 WUFNKQZQZKJIEX-RITPCOANSA-N 257.206 0.571 5 40 CCBB CC(=O)Nc1ccc2nc3c(=O)[nH]c(O)nc3nc2c1 6781165 DYMFPFUFFQWVNJ-UHFFFAOYSA-N 271.236 0.530 5 40 CCBB biogenic COc1cc([C@H]2NCCC(=O)N2)cc([N+](=O)[O-])c1OC 408738598 SOKJTPZEKQSAHC-LBPRGKRZSA-N 281.268 0.720 5 40 CCBB COC(=O)CNc1nc2ccccn2c(=O)c1[N+](=O)[O-] 44907184 JDZKHRSOKFQEKF-UHFFFAOYSA-N 278.224 0.188 5 40 CCBB CC(=O)NCCNc1nc2ccccn2c1[N+](=O)[O-] 24340221 LXMMFJNXLDELGR-UHFFFAOYSA-N 263.257 0.791 5 40 CCBB O=C(NCCO)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 20650357 HQIQUGXEDKBUOB-UHFFFAOYSA-N 294.311 0.315 5 40 CCBB O=C1N[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc([N+](=O)[O-])c1 40167130 SKWMEDAJVKNPNN-UWVGGRQHSA-N 297.292 0.290 5 40 CCBB C[C@]1(C(=O)O)Nc2ccc([N+](=O)[O-])cc2OC1=O 96298957 DSXWRMIGFVEQMO-SNVBAGLBSA-N 252.182 0.769 5 40 CCBB CCOCCCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O 12784111 ZOKAXCJCGVTMOL-UHFFFAOYSA-N 269.257 0.440 5 40 CCBB CCOCC(=O)N[C@@H]1CCc2ncc([N+](=O)[O-])cc2C1 95996811 FDMROXIUXUKMFV-SNVBAGLBSA-N 279.296 1.000 5 40 CCBB CN(C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 26937071 VFEGMGBLHHTYAQ-UHFFFAOYSA-N 296.283 0.627 5 40 CCBB CCNC(=O)NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C 8705477 VHWQDILNRWXCKN-UHFFFAOYSA-N 269.261 0.254 5 40 CCBB COC(=O)CCNc1nc(Cl)nc(N)c1[N+](=O)[O-] 95095492 WEFPVTSLPRYGBM-UHFFFAOYSA-N 275.652 0.595 5 40 CCBB CC1CCN(c2nc(NCCO)nc(N)c2[N+](=O)[O-])CC1 5249648 VKMOMMLDEMVGMS-UHFFFAOYSA-N 296.331 0.608 5 40 CCBB O=C(O)c1cc(C(=O)O)c([N+](=O)[O-])c([N+](=O)[O-])c1 21983717 NKMLIOVOJOXDBU-UHFFFAOYSA-N 256.126 0.899 5 40 CCBB CO[C@H]1O[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]2O[C@@H]12 104083562 QQJDGDHKWDVQPR-KQXIARHKSA-N 295.247 0.890 5 40 CCBB C[C@@]1(C(=O)O)Nc2ccc([N+](=O)[O-])cc2OC1=O 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69419823 UDELCDHYJVJFIC-MRVPVSSYSA-N 267.285 0.909 5 40 CCBB O=[N+]([O-])c1cccnc1S(=O)(=O)c1ncccn1 6240722 OCDBSVSDAUHJEL-UHFFFAOYSA-N 266.238 0.613 5 40 CCBB Cn1c(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2n(C)c1=O 15108566 DOPGXECVZJOPSQ-UHFFFAOYSA-N 280.196 0.054 5 40 CCBB Cn1c(CN2CCNCC2)nc2cc([N+](=O)[O-])ccc21 34925709 FYFMVIQARCRMHZ-UHFFFAOYSA-N 275.312 0.887 5 40 CCBB Cn1nc([N+](=O)[O-])nc1I 95116216 GXLCPBUZYXDWQL-UHFFFAOYSA-N 253.987 0.328 5 40 CCBB O=Cc1cnn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 5568368 IVTKJJQRBGSXOJ-UHFFFAOYSA-N 263.169 0.896 5 40 CCBB Cc1c(C(=O)N2CCNC(=O)C2)cccc1[N+](=O)[O-] 12728343 VGSAZNCPNHLHRT-UHFFFAOYSA-N 263.253 0.475 5 40 CCBB O=C(Cn1cc([N+](=O)[O-])cn1)NCC(F)(F)F 28996338 FMSXFZBZTSHYGG-UHFFFAOYSA-N 252.152 0.470 5 40 CCBB CS(=O)(=O)N1CCN=Cc2cc([N+](=O)[O-])ccc21 73642562 OECHDALUSOGONB-UHFFFAOYSA-N 269.282 0.793 5 40 CCBB Cc1ccc(NC(=O)Cn2cnnn2)cc1[N+](=O)[O-] 57561660 JDXWJOZXJKMWBD-UHFFFAOYSA-N 262.229 0.528 5 40 CCBB C[C@@H](C(=O)O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 3346481 CPLXXAYGPKDGDB-LURJTMIESA-N 259.239 0.842 5 40 CCBB in-vitro N=C(Nc1ccc([N+](=O)[O-])cn1)N1CCC(O)CC1 225238149 CEVXBLCKKUWTIX-UHFFFAOYSA-N 265.273 0.793 5 40 CCBB O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCCNC2)cc1 71397274 JGKUMQQVIGHHCP-SECBINFHSA-N 285.325 0.625 5 40 CCBB COCCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 48324255 FFPWTRJOPDELHQ-UHFFFAOYSA-N 274.298 0.661 5 40 CCBB COc1ccc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 197139 UXZQOPYZERIDFC-UHFFFAOYSA-N 291.267 0.511 5 40 CCBB NS(=O)(=O)c1cccc2c1ccc1[nH]c(=O)c(=O)[nH]c12 3646207 WMMJNDRCLVWVIF-UHFFFAOYSA-N 291.288 0.017 5 40 CCBB in-vitro O=C(NC[C@H](O)c1ccc(F)c(F)c1)[C@H]1C[C@@H]1[N+](=O)[O-] 57308459 XUWJWTHIBSRQSN-SWPVVBRQSA-N 286.234 0.780 5 40 CCBB CN1[C@H]2CC[C@H]1CC(NC(=O)c1cc([N+](=O)[O-])n[nH]1)C2 101598679 OEJPVKDPLTZPRN-IUCAKERBSA-N 279.300 0.673 5 40 CCBB CCNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 11409998 KJHSPSGQIMOVBJ-QMMMGPOBSA-N 265.269 0.849 5 40 CCBB Cn1cc([N+](=O)[O-])c(C(=O)N=c2[nH]c3ccccc3[nH]2)n1 5387402 PVTRSOAIZXWDDT-UHFFFAOYSA-N 286.251 0.879 5 40 CCBB COC(=O)[C@H](N)Cc1ccc(OC)c([N+](=O)[O-])c1 20259373 HGKKTVOAXYVQDK-MRVPVSSYSA-N 254.242 0.646 5 40 CCBB O=C(OCCn1cnc([N+](=O)[O-])n1)c1ccco1 96452624 BGHUQGQWZPSADP-UHFFFAOYSA-N 252.186 0.636 5 40 CCBB O=CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 3131401 ZGAXYGHIQSDHQO-UHFFFAOYSA-N 299.308 0.058 5 40 CCBB COc1ccc(S(=O)(=O)N(C)C)c([N+](=O)[O-])c1 39303860 STWGZMAVWWLTJT-UHFFFAOYSA-N 260.271 0.854 5 40 CCBB O=[N+]([O-])c1ccc(Cn2nc([N+](=O)[O-])n3ncnc23)cc1 12374482 MIVCJSMRQLWNSI-UHFFFAOYSA-N 289.211 0.791 5 40 CCBB C[C@@]12C(=O)N(CC[N+](C)(C)C)C(=O)[C@@]1(C)[C@@H]1CC[C@@H]2O1 103863084 NQSPKNLBKKAEBP-UOVKNHIHSA-N 281.376 0.635 5 40 CCBB Cc1nnc(Sc2ccc(C(N)=O)cc2[N+](=O)[O-])n1N 22024870 CEPLSMRGZBNMOL-UHFFFAOYSA-N 294.296 0.459 5 40 CCBB Nc1nc(NCCO)nc(NCc2ccco2)c1[N+](=O)[O-] 4306140 UHVHHWWWUGWPPZ-UHFFFAOYSA-N 294.271 0.576 5 40 CCBB Cc1ccc(Oc2ccc3nnnn3n2)c([N+](=O)[O-])n1 32871768 YSDIEDSKFSFSJS-UHFFFAOYSA-N 273.212 0.923 5 40 CCBB Cn1cnc([N+](=O)[O-])c1NCCNc1cnccn1 29174595 LIONVTCFXSJTQD-UHFFFAOYSA-N 263.261 0.642 5 40 CCBB Cc1nn(C)c(C)c1NC(=O)c1nn(C)cc1[N+](=O)[O-] 2781014 OFTCJBBWDDDCFQ-UHFFFAOYSA-N 278.272 0.931 5 40 CCBB Nc1nc2n(n1)[C@@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2 4289901 IXPSFQQUYGIBDI-MRVPVSSYSA-N 274.240 0.700 5 40 CCBB CN1CCN(C(=N)Nc2ccc([N+](=O)[O-])cn2)CC1 225238687 XHOQGMFKYZGFIW-UHFFFAOYSA-N 264.289 0.584 5 40 CCBB CN1CCN(c2cc3[nH]c(=O)[nH]c3cc2[N+](=O)[O-])CC1 5393786 MXPJZJJFHVSBMO-UHFFFAOYSA-N 277.284 0.516 5 40 CCBB CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC 4014446 ZDNCXMWWDWZXAA-UHFFFAOYSA-N 254.202 0.904 5 40 CCBB COC(=O)CCn1cc(-n2cc([N+](=O)[O-])cn2)cn1 685936726 TZAAZEWZOVXJQN-UHFFFAOYSA-N 265.229 0.540 5 40 CCBB C[C@H]1C=C[C@@]2([N+](=O)[O-])CN(C)C[C@]1([N+](=O)[O-])[C@@H]2C 36034422 ODIZRZKFOUMOQL-LNFKQOIKSA-N 255.274 0.805 5 40 CCBB CC(=O)Nc1ccc(NS(C)(=O)=O)c([N+](=O)[O-])c1 4148331 OFHGEGXSSVBGEO-UHFFFAOYSA-N 273.270 0.925 5 40 CCBB Nc1nc2n(n1)[C@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2 4289900 IXPSFQQUYGIBDI-QMMMGPOBSA-N 274.240 0.700 5 40 CCBB NC(=O)C1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 12738976 VOYVDPCIJGMZBX-UHFFFAOYSA-N 291.307 0.861 5 40 CCBB O=c1[nH]c(O)nc2nc3cc([N+](=O)[O-])ccc3nc12 16431399 VVPARRRCPITIJR-UHFFFAOYSA-N 259.181 0.480 5 40 CCBB CC(C)OCCCNC(=O)Cn1nccc1[N+](=O)[O-] 40554068 NRLODSSTKYYELR-UHFFFAOYSA-N 270.289 0.723 5 40 CCBB O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCN2)cc1 53254442 AGNKJVPNLSZRIV-SECBINFHSA-N 285.325 0.625 5 40 CCBB COC(=O)C(C(=O)OC)c1nccc(C)c1[N+](=O)[O-] 1857793485 VNFOIAASLGVFHL-UHFFFAOYSA-N 268.225 0.728 5 40 CCBB O=C(O)CNC(=O)NCc1cccc([N+](=O)[O-])c1 19403198 OCNZMRAHAMDZJD-UHFFFAOYSA-N 253.214 0.479 5 40 CCBB in-vitro CN(C)C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 48694298 FQJBDAAEIBPSNA-NXEZZACHSA-N 255.318 0.642 5 40 CCBB CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(O)c1 72661776 LEMRERDGQUAGAT-ZDUSSCGKSA-N 292.295 0.994 5 40 CCBB C[C@H]1CCCN(c2nc(NCCO)nc(N)c2[N+](=O)[O-])C1 5249702 PSJPVKXVYZZAET-QMMMGPOBSA-N 296.331 0.608 5 40 CCBB O=C(Nc1cccnc1N1CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] 56164625 IEHWXZFZDGRSKK-MWLCHTKSSA-N 292.295 0.522 5 40 CCBB Cc1nn(CCc2noc(C(=O)O)n2)c(C)c1[N+](=O)[O-] 12399145 LOXCSRKESCNGME-UHFFFAOYSA-N 281.228 0.732 5 40 CCBB NCCNc1c(C(=O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 5394729 YPMTWMFUBARQDT-UHFFFAOYSA-N 270.201 0.572 5 40 CCBB CC[C@@H](CO)Nc1nc2ccccn2c(=O)c1[N+](=O)[O-] 25067441 ZROAWEGSDDTFBQ-QMMMGPOBSA-N 278.268 0.786 5 40 CCBB O=C(Cn1cnnn1)Nc1ccc(Cl)c([N+](=O)[O-])c1 57564953 HFUDNAJEVMYKSZ-UHFFFAOYSA-N 282.647 0.873 5 40 CCBB Nc1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n[nH]1 4053597 PQNDEAVKAFVYAG-UHFFFAOYSA-N 289.299 0.622 5 40 CCBB CC(C)N1CCC(NC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 2782082 GSRDEYKJSBNKJC-UHFFFAOYSA-N 295.343 0.931 5 40 CCBB Cc1noc(C)c1Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O 12755289 BOZWKZMQVKBZGX-UHFFFAOYSA-N 292.251 0.509 5 40 CCBB NC(=O)NCCCCNc1ccc([N+](=O)[O-])cn1 72289231 CLFDNWLKAOJTJV-UHFFFAOYSA-N 253.262 0.850 5 40 CCBB CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 276021837 BNZVZJFZBRQSKA-UHFFFAOYSA-N 286.309 0.835 5 40 CCBB Cc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 4504719 NEWPRWHUECZKAX-SNVBAGLBSA-N 298.320 0.820 5 40 CCBB NS(=O)(=O)c1ccc(N2CCCC2=O)c([N+](=O)[O-])c1 4016411 FPCPYSKJIRSWIG-UHFFFAOYSA-N 285.281 0.369 5 40 CCBB in-vivo CCOC(=O)c1cn(C(C)(C)C(=O)O)nc1[N+](=O)[O-] 408715739 DBVPHFJWTQKTPU-UHFFFAOYSA-N 271.229 0.788 5 40 CCBB CS(=O)(=O)c1ccc(N2CC[C@H](O)C2)c([N+](=O)[O-])c1 61707470 PIICQJHJPZMUDM-QMMMGPOBSA-N 286.309 0.569 5 40 CCBB Cc1nc([N+](=O)[O-])cn1CCOc1nonc1N 3092762 IQOSOPBBGPHSBD-UHFFFAOYSA-N 254.206 0.144 5 40 CCBB Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCO2)n1 2739231 MNBMIMUUKXNROB-ZETCQYMHSA-N 254.246 0.237 5 40 CCBB COC(=O)c1cn(C[C@H](C)C(=O)O)nc1[N+](=O)[O-] 408716190 JUVJAJMKFDVRDY-YFKPBYRVSA-N 257.202 0.299 5 40 CCBB CN(CCO)c1nc2ccccn2c(=O)c1[N+](=O)[O-] 24057047 BZBPROSWFIDNEF-UHFFFAOYSA-N 264.241 0.031 5 40 CCBB O=C1C[C@@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CN1 65403226 KHRJPBGZRSQGGY-SECBINFHSA-N 292.295 0.259 5 40 CCBB CN(C)C(=O)[C@@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])o1 66657703 YRUOVUULEUNXAD-ZETCQYMHSA-N 299.308 0.791 5 40 CCBB O=[N+]([O-])c1ccc(N[C@H]2CS(=O)(=O)C[C@@H]2O)cc1 40142065 JALRHJXFOPEOCR-UWVGGRQHSA-N 272.282 0.165 5 40 CCBB Cc1ccc(NC(=O)C[C@@H]2NCCNC2=O)cc1[N+](=O)[O-] 17022825 VIPSDAYBKUQYIM-JTQLQIEISA-N 292.295 0.320 5 40 CCBB COC[C@H](C)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 12511100 PMAQRQLUCSVKCA-ZETCQYMHSA-N 289.313 0.689 5 40 CCBB Cc1nn(CCS(=O)(=O)N(C)C)c(C)c1[N+](=O)[O-] 14021254 NILNBMMNZKLRJZ-UHFFFAOYSA-N 276.318 0.300 5 40 CCBB Cc1[nH]nc(C(=O)NCCn2cccc2)c1[N+](=O)[O-] 75093107 IKNXRYQUZQVZOH-UHFFFAOYSA-N 263.257 0.858 5 40 CCBB N=C(Nc1ncccc1[N+](=O)[O-])N1CCC(C(N)=O)CC1 225245813 ASFOWMKZRDXZBM-UHFFFAOYSA-N 292.299 0.534 5 40 CCBB CS(=O)(=O)[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 96521782 TUBZITZEAUCZMI-VHSXEESVSA-N 275.282 0.034 5 40 CCBB O=[N+]([O-])c1ccccc1N1CCN(CCO)CC1 20169591 LGQBJZGBYDZRBZ-UHFFFAOYSA-N 251.286 0.709 5 40 CCBB Cn1cnc([N+](=O)[O-])c1N1CCN(C[C@H]2CCCO2)CC1 29842759 MGGPRHOSNUZXGH-LLVKDONJSA-N 295.343 0.629 5 40 CCBB CNc1nc(N2C[C@@H](C)O[C@H](C)C2)nc(N)c1[N+](=O)[O-] 4123424 NBTQYSSZQWJMMA-RNFRBKRXSA-N 282.304 0.622 5 40 CCBB CCS(=O)(=O)NCCCn1cc([N+](=O)[O-])cn1 84811600 JMEKILJTOLAGCD-UHFFFAOYSA-N 262.291 0.121 5 40 CCBB NC(=O)[C@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 22226041 DPQLFBORYVEXLN-QMMMGPOBSA-N 250.258 0.692 5 40 CCBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2cn[nH]c2)ccc1O 32932346 PVBSLPHBUFKHFU-UHFFFAOYSA-N 284.253 0.824 5 40 CCBB O=[N+]([O-])c1ccc2c(c1)CN(CCOCCO)CC2 89807679 DXQKHSVOGIWJNJ-UHFFFAOYSA-N 266.297 0.962 5 40 CCBB O=[N+]([O-])c1cc(S(=O)(=O)O)cc([N+](=O)[O-])c1O 14982754 ITLQEAMJQIBMBN-UHFFFAOYSA-N 264.171 0.455 5 40 CCBB O=[N+]([O-])c1nc(Br)n(CCO)c1[N+](=O)[O-] 4587445 KNQABSNLQWMFEA-UHFFFAOYSA-N 281.022 0.454 5 40 CCBB O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)OS(=O)(=O)C2 2117845 JRTVDVXGMLFMMC-UHFFFAOYSA-N 260.183 0.725 5 40 CCBB O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCOCC1 2747495 GNWITUHKDGEFMS-UHFFFAOYSA-N 281.224 0.975 5 40 CCBB Cn1ccc(N2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2=O)n1 195553213 CUZORZVUZBEPSC-SNVBAGLBSA-N 290.283 0.893 5 40 CCBB CS(=O)(=O)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] 5002955 OIOVUYMLHKHVSJ-UHFFFAOYSA-N 261.215 0.875 5 40 CCBB O=C(O)c1cc(C(=O)O)c([N+](=O)[O-])c(C(=O)O)c1 5567097 BOUYXKZEBJHJBT-UHFFFAOYSA-N 255.138 0.689 5 40 CCBB NC(=O)c1ccc(CN2CCC[C@H](O)C2)c([N+](=O)[O-])c1 27343818 YDGSHSJIGNYKKO-NSHDSACASA-N 279.296 0.650 5 40 CCBB C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])c2)CCO1 12519945 VQZCWQULKIDMGX-MRVPVSSYSA-N 254.246 0.039 5 40 CCBB Cc1cc([N+](=O)[O-])cnc1N1CCS(=O)(=O)CC1 79060216 PLGLGJQKJMDAJY-UHFFFAOYSA-N 271.298 0.533 5 40 CCBB O=C(O)[C@H]1C[C@@H](O)CN1c1nc(Cl)ccc1[N+](=O)[O-] 4106407 OKJUDFAWKRSCKE-IYSWYEEDSA-N 287.659 0.667 5 40 CCBB O=c1oc2cc([N+](=O)[O-])ccc2n1CCN1CCOCC1 71893968 LGNJFPBAGJDEMG-UHFFFAOYSA-N 293.279 0.835 5 40 CCBB O=c1[nH]c2cc(Br)c([N+](=O)[O-])cc2[nH]c1=O 34287428 YQQAKUPJVUMART-UHFFFAOYSA-N 286.041 0.887 5 40 CCBB C[C@@H](O)CNCCNCc1cccc([N+](=O)[O-])c1 8535021 JZLUYGDUTXGRKK-SNVBAGLBSA-N 253.302 0.655 5 40 CCBB Cc1nn(C)c(NCC(=O)NC(C)C)c1[N+](=O)[O-] 35732530 BPSKSIRPHWRYSY-UHFFFAOYSA-N 255.278 0.573 5 40 CCBB Cc1nc(CNC(=O)c2ccc(O)c([N+](=O)[O-])c2)no1 96004334 RMGUYAHHRPZVFZ-UHFFFAOYSA-N 278.224 0.922 5 40 CCBB CC1(C)C[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C(=O)O1 89917885 PDFSUSOSYIBVQC-MRVPVSSYSA-N 294.267 0.595 5 40 CCBB C[C@@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H](C)N1 70076670 DSMJXSYHFBBCRS-NXEZZACHSA-N 299.352 0.966 5 40 CCBB O=C1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCN1 54644108 MPPDVCFGHGKBEX-UHFFFAOYSA-N 292.295 0.279 5 40 CCBB NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 32855768 MPIZBGPEYSCZNM-UHFFFAOYSA-N 250.258 0.796 5 40 CCBB CC(=O)NC1=NN[C@H](c2cccc([N+](=O)[O-])c2)O1 8555203 ZIYIJXKFFXXYEZ-VIFPVBQESA-N 250.214 0.620 5 40 CCBB Nc1nc2c(Br)cc([N+](=O)[O-])cn2n1 757134376 XMNLCRGBCGLCQA-UHFFFAOYSA-N 258.035 0.982 5 40 CCBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ncn[nH]2)c1 5681517 KUAVGMVMPZQYQR-UHFFFAOYSA-N 269.242 0.514 5 40 CCBB CC(=O)NCCNC(=O)c1ccc([N+](=O)[O-])cc1 5639303 GASMFOSRBDCNPK-UHFFFAOYSA-N 251.242 0.461 5 40 CCBB C[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1CCCO1 2778582 KNUAHALCTQSKKA-APPZFPTMSA-N 268.273 0.626 5 40 CCBB NC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)CCN1 37477388 WHGYGVSWYLUUHD-VIFPVBQESA-N 284.703 0.512 5 40 CCBB O=C(Nc1ccccc1[N+](=O)[O-])C1=NN=C[C@@H]1[N+](=O)[O-] 5717369 ZRQBUAFMWYJQHR-QMMMGPOBSA-N 277.196 0.619 5 40 CCBB Cc1onc(C(=O)O)c1Cn1cnc([N+](=O)[O-])n1 12357829 HKSLPCPZCRYHCM-UHFFFAOYSA-N 253.174 0.229 5 40 CCBB CN(C)C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1 3329916 FBYGQSVOTJBMDW-UHFFFAOYSA-N 252.226 0.840 5 40 CCBB C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)N1 70076989 XPPCURBXRAWDMS-NXEZZACHSA-N 299.352 0.966 5 40 CCBB O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@H]2CNC[C@@H]2C1 90322292 WSBREHDVLGAGBL-NXEZZACHSA-N 297.336 0.435 5 40 CCBB CN(CCO)c1ccc2nc3ccccc3c(=O)n2n1 5509836 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0.629 5 40 CCBB NC(=O)C1CCN(c2ccc(C(=O)O)cc2[N+](=O)[O-])CC1 4574418 FZJFGIHHQKBXBT-UHFFFAOYSA-N 293.279 0.995 5 40 CCBB C[S@@](=O)c1nncn1-c1ccccc1[N+](=O)[O-] 71905815 VVLXBJIEBQVQIU-KRWDZBQOSA-N 252.255 0.913 5 40 CCBB COc1ccc(S(=O)(=O)Nc2nc[nH]n2)cc1[N+](=O)[O-] 35685991 IMZUWEMCHQSILP-UHFFFAOYSA-N 299.268 0.522 5 40 CCBB CN(C)CCCNC(=O)c1cc([N+](=O)[O-])cn1C 34614197 DFYMSNOGJHFYHH-UHFFFAOYSA-N 254.290 0.615 5 40 CCBB O=[N+]([O-])c1cnc2nc(N3CCOCC3)oc2c1 20863252 FEOCYZPSLBWRFB-UHFFFAOYSA-N 250.214 0.968 5 40 CCBB O=c1[nH]c([N+](=O)[O-])c(Br)c2[nH]cnc12 2223502 BIGIUCLKQWZDAV-UHFFFAOYSA-N 259.019 0.922 5 40 CCBB O=C(NCCn1cc([N+](=O)[O-])cn1)NCc1ccco1 96480850 QAPWGCOZWMIYNG-UHFFFAOYSA-N 279.256 0.884 5 40 CCBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nn1cnnc1 503549 XYCWCUDKQSQFER-ZZXKWVIFSA-N 259.225 0.970 5 40 CCBB O=[N+]([O-])c1cccnc1N1CCCN(CCO)CC1 69570805 HPARJMMRMFZGKA-UHFFFAOYSA-N 266.301 0.494 5 40 CCBB CS(=O)(=O)[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 96521787 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40 CCBB CCN1CCN(c2nc(Cl)nc(N)c2[N+](=O)[O-])CC1 5163709 QWYJYMIOHOLNAP-UHFFFAOYSA-N 286.723 0.762 5 40 CCBB Cn1c(=O)c2nc3c(nc2n(C)c1=O)[nH]c1ccccc13 129829 KRRYGXCRJMPZJX-UHFFFAOYSA-N 281.275 0.662 5 40 CCBB CC(=O)Nc1cc(SC[C@H](O)CO)cc([N+](=O)[O-])c1 2760486 CGUQPNPMMZOPCX-SNVBAGLBSA-N 286.309 0.999 5 40 CCBB CCOC(=O)c1nc(Cn2ccc([N+](=O)[O-])n2)no1 4754155 XXDFURHWMUTQIX-UHFFFAOYSA-N 267.201 0.399 5 40 CCBB COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/NC(=O)NC1=O 409053950 DZDNXBWFFTYXLU-XVNBXDOJSA-N 293.235 0.792 5 40 CCBB CN(Cc1ccc(N)nc1)c1ncc([N+](=O)[O-])cn1 97095478 IENCBULEYRAMAD-UHFFFAOYSA-N 260.257 0.998 5 40 CCBB CN(C)CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 5659105 RNAAFOWPTQFCDT-UHFFFAOYSA-N 287.341 0.825 5 40 CCBB NC(=O)COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 5505923 DBZBUGUZHKVSMW-ZZXKWVIFSA-N 250.210 0.637 5 40 CCBB Cc1[nH]c2nc(-c3ccncc3)nn2c(=O)c1[N+](=O)[O-] 100020041 VXGYKDWONSRIAN-UHFFFAOYSA-N 272.224 0.696 5 40 CCBB CC(C)NC(=O)CNC(=O)c1csc([N+](=O)[O-])c1 44350632 YYNSDQJUMJPQGW-UHFFFAOYSA-N 271.298 0.911 5 40 CCBB O=C(O)CCn1cc(-n2cc([N+](=O)[O-])cn2)cn1 685936506 CBOOQQXDKRJJIH-UHFFFAOYSA-N 251.202 0.452 5 40 CCBB Cc1nn(C)c(C(=O)N[C@H](C)[C@@H]2CCCO2)c1[N+](=O)[O-] 2777743 PVTNZTNPDUUMFI-APPZFPTMSA-N 282.300 0.934 5 40 CCBB O=C(c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1)N1CCOCC1 39378142 ZXZLWWJIFPMIJL-UHFFFAOYSA-N 281.224 0.975 5 40 CCBB CN(C)S(=O)(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 96461872 ZQGNJHYRPLVHLD-UHFFFAOYSA-N 285.325 0.759 5 40 CCBB C[C@]12CC[C@H](O1)[C@H]1C(=O)N(CC[N+](C)(C)C)C(=O)[C@@H]12 4723000 HXBYQMUTHCZPDW-ICUOPCATSA-N 267.349 0.245 5 40 CCBB Cc1cc([N+](=O)[O-])cnc1N1CCCN(C(N)=O)CC1 72285229 CVHYOTXSDDXMJK-UHFFFAOYSA-N 279.300 0.889 5 40 CCBB COc1ncccc1CNc1ncc([N+](=O)[O-])c(N)n1 48557352 BLWDCNDCASRBIZ-UHFFFAOYSA-N 276.256 0.983 5 40 CCBB Cc1ccc(N2C[C@@H](C(N)=O)CC2=O)cc1[N+](=O)[O-] 45953503 JMBKFOOAPGOGPV-QMMMGPOBSA-N 263.253 0.741 5 40 CCBB CCn1cc([N+](=O)[O-])c(C(=O)NCCN(C)C)n1 12413836 FOFYKNGYDPMDMZ-UHFFFAOYSA-N 255.278 0.103 5 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XFMDZQIHOAZCBR-UHFFFAOYSA-N 285.307 0.146 5 40 CCBB COC[C@H](C)NC(=O)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 10326789 BXJRMGJLWSZIOJ-ZETCQYMHSA-N 299.258 0.824 5 40 CCBB CCCNC(=O)Cn1nc([N+](=O)[O-])c([N+](=O)[O-])c1C 4697404 FUSCPAYEVDILGI-UHFFFAOYSA-N 271.233 0.534 5 40 CCBB Cc1cccc(/C=C\c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])n1 6422421 DELDPFUTWUCFBP-WAYWQWQTSA-N 274.236 0.845 5 40 CCBB C[C@](CO)(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O 4824527 NLIQVESFXLKBRF-SNVBAGLBSA-N 285.212 0.751 5 40 CCBB NC(=O)[C@H](NC(=O)[C@H]1C[C@@H]1[N+](=O)[O-])c1ccccc1F 72287849 GAQHHKNGWRIYLA-UJNFCWOMSA-N 281.243 0.134 5 40 CCBB COC(=O)c1nc2ncc(-n3cc([N+](=O)[O-])cn3)cn2n1 1066598 KDGCLACZYHKBCJ-UHFFFAOYSA-N 289.211 0.005 5 40 CCBB Cc1nn(C)c(NC[C@@H](C)N2CCOCC2)c1[N+](=O)[O-] 48558686 QXJDIDLOTKXOGZ-SECBINFHSA-N 283.332 0.769 5 40 CCBB Nc1nc(N(C[C@@H]2CCOC2)C2CC2)ncc1[N+](=O)[O-] 97145578 CXMCOEFTUVKRSC-QMMMGPOBSA-N 279.300 0.972 5 40 CCBB COC(=O)[C@H](CC[N+](=O)[O-])NC(=O)OC(C)(C)C 408526122 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5 40 CCBB Cc1ccc([N+](=O)[O-])c(C(=O)NCc2n[nH]c(=O)[nH]2)c1 78998508 LHBLHKOPSMPJOC-UHFFFAOYSA-N 277.240 0.245 5 40 CCBB CS(=O)(=O)NCC(=O)Nc1ccc([N+](=O)[O-])cc1 239563178 WWELIGURHAOLJQ-UHFFFAOYSA-N 273.270 0.083 5 40 CCBB Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)C[C@H](C)O 51820868 IYNYJXGMFCAIJQ-VIFPVBQESA-N 288.325 0.905 5 40 CCBB Cn1cccc1C(=O)Cn1cc([N+](=O)[O-])ccc1=O 23870755 GSMAXLCTFHBKDM-UHFFFAOYSA-N 261.237 0.978 5 40 CCBB O=C(O)CNc1c(C(=O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 12428281 ASPWRAXNWZSHIX-UHFFFAOYSA-N 285.168 0.698 5 40 CCBB Nc1ncnc(N2CCC3(CC2)OCCO3)c1[N+](=O)[O-] 3912658 XEVKPFGPZLFYAG-UHFFFAOYSA-N 281.272 0.310 5 40 CCBB CNC(=O)COC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 3370483 MRLXCRVRDJYVPN-UHFFFAOYSA-N 298.251 0.515 5 40 CCBB CN(CC(=O)O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 5509671 WFSWHXIAPBJAOX-UHFFFAOYSA-N 274.254 0.300 5 40 CCBB COC(=O)[C@H]1C[C@H](O)CN1Cc1cccc([N+](=O)[O-])c1 22034671 ZZECJVNTCRFDDM-NWDGAFQWSA-N 280.280 0.703 5 40 CCBB O=C(O)C1=C[C@@H](c2ccc([N+](=O)[O-])o2)n2ncnc2N1 102278201 MTKFJAAUWRXFKM-LURJTMIESA-N 277.196 0.763 5 40 CCBB CS(=O)(=O)[C@@H](CO)C(=O)c1ccc([N+](=O)[O-])cc1 96518748 LUAYAGQQQDAPFQ-VIFPVBQESA-N 273.266 0.183 5 40 CCBB O=[N+]([O-])[C@H]1CS(=O)(=O)C=C1NNc1ccccc1 5484279 XSCAJSKTYRZDCB-JTQLQIEISA-N 269.282 0.518 5 40 CCBB COc1nc(N2CCCCC2)nc(N)c1[N+](=O)[O-] 23042557 AVIOYECEICCXST-UHFFFAOYSA-N 253.262 0.966 5 40 CCBB NS(=O)(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4116633 KUVREPGZEZBFJD-UHFFFAOYSA-N 271.298 0.842 5 40 CCBB CCOC(=O)c1cnn(-c2c([N+](=O)[O-])c(C)nn2C)c1N 4277583 UTKCWORNTOSMAQ-UHFFFAOYSA-N 294.271 0.581 5 40 CCBB O=C(O)c1cccc([N+](=O)[O-])c1N1CCNCC1 6732063 BFBIXTPJJSLRIX-UHFFFAOYSA-N 251.242 0.703 5 40 CCBB C[C@@H]1CNC[C@@H](C)N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 69133755 IXHMEKMZLXMKTI-NXEZZACHSA-N 299.352 0.966 5 40 CCBB O=C1NC[C@@]2(F)CN(Cc3ccc([N+](=O)[O-])o3)C[C@@]12F 306132836 LTUQQLOUASPYOW-GHMZBOCLSA-N 287.222 0.550 5 40 CCBB O=C(Nc1ccc(N2CCNC2=O)cc1)[C@H]1C[C@H]1[N+](=O)[O-] 44402098 RPZMUFNLGSORBS-WDEREUQCSA-N 290.279 0.820 5 40 CCBB Nc1nnc(-c2nn(CC(F)F)cc2[N+](=O)[O-])s1 408717733 QPWPTXPAKWDIQY-UHFFFAOYSA-N 276.228 1.157 5 40 CCBB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NC=O)cc21 35669046 WGCHBFDYUZZWKA-UHFFFAOYSA-N 250.214 0.354 5 40 CCBB Cc1c([N+](=O)[O-])c(C(=O)NC2CCN(C)CC2)nn1C 2781090 COCNYYGKSVMHDP-UHFFFAOYSA-N 281.316 0.461 5 40 CCBB O=C(OCC(=O)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 3383715 KOTLLZAFOTYQKI-UHFFFAOYSA-N 294.263 0.610 5 40 CCBB O=C(OCC(=O)N1CCNC1=O)c1ccccc1[N+](=O)[O-] 24904411 UJSCIOQHTBBJMM-UHFFFAOYSA-N 293.235 0.303 5 40 CCBB CN(CC(=O)NC1CC1)c1ccc([N+](=O)[O-])cn1 23077955 USZRJIIRYGCTQZ-UHFFFAOYSA-N 250.258 0.705 5 40 CCBB CN(C)CCNc1ccc(C(N)=O)cc1[N+](=O)[O-] 5262128 ZQLYNWVYDSVRAF-UHFFFAOYSA-N 252.274 0.667 5 40 CCBB COC(=O)CNC(=O)COc1cc([N+](=O)[O-])ccc1OC 31673742 SRSJBONPSUPKSE-UHFFFAOYSA-N 298.251 0.271 5 40 CCBB CCN([C@H]1CCNC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 71312727 FPWADPTWXUKNQR-JTQLQIEISA-N 299.352 0.967 5 40 CCBB Cc1c(C(=O)N2CCN(C=O)CC2)cccc1[N+](=O)[O-] 10282626 TZGLMLRWTJGPPS-UHFFFAOYSA-N 277.280 0.817 5 40 CCBB O=c1[nH]c2cc(F)c([N+](=O)[O-])c([N+](=O)[O-])c2nc1O 16383550 BOISNUITQVSNDF-UHFFFAOYSA-N 270.132 0.584 5 40 CCBB Cc1nc(N2CCOCC2)nc(N(C)C)c1[N+](=O)[O-] 4008326 ZPESPERPLFTPAD-UHFFFAOYSA-N 267.289 0.596 5 40 CCBB O=C(Nn1nccn1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 8397249 NPOFIICTVUELAR-UHFFFAOYSA-N 278.184 0.478 5 40 CCBB Cn1c(/C=C/N2CCCC2)c([N+](=O)[O-])c(=O)n(C)c1=O 50004522 BMTQSPHIKNZHCZ-VMPITWQZSA-N 280.284 0.059 5 40 CCBB O=[N+]([O-])c1cccnc1N[C@H]1CCS(=O)(=O)C1 18899507 SEFIHJUTWNUZAH-ZETCQYMHSA-N 257.271 0.589 5 40 CCBB O=C(O)CCn1cc([N+](=O)[O-])c(OCC(F)F)n1 408717039 VCMNQPGESBGMAL-UHFFFAOYSA-N 265.172 0.910 5 40 CCBB Cc1cnc(N2CCOC[C@@H]2CCO)c([N+](=O)[O-])c1 96492831 MPWIRPGOVHYLMB-JTQLQIEISA-N 267.285 0.886 5 40 CCBB Cn1c(=O)n(C)c2c([N+](=O)[O-])c(N)c([N+](=O)[O-])cc21 5003491 QMHLVUAGUBLCMY-UHFFFAOYSA-N 267.201 0.276 5 40 CCBB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] 4504682 SLEHSAXYYAKPMG-MRVPVSSYSA-N 284.293 0.512 5 40 CCBB O=[N+]([O-])c1ccccc1OC[C@H](O)Cn1cnnc1 96009527 FZVNSOLCDPPOMH-SECBINFHSA-N 264.241 0.626 5 40 CCBB CC(=O)NC(NC(C)=O)c1ccccc1[N+](=O)[O-] 478167 RXORVYXKNNZUKT-UHFFFAOYSA-N 251.242 0.866 5 40 CCBB O=C1COCC(=O)N1c1ccc(F)c([N+](=O)[O-])c1 59474463 MPOGKIBHTRUGGF-UHFFFAOYSA-N 254.173 0.624 5 40 CCBB COc1c(CO)c([N+](=O)[O-])c(OC)c2c1OCO2 36719717 JVEMLFZSQFFPIR-UHFFFAOYSA-N 257.198 0.833 5 40 CCBB Cc1nn(C)c(C(=O)NCCNC(C)(C)C)c1[N+](=O)[O-] 96495414 QZJSVKLULVUNGD-UHFFFAOYSA-N 283.332 0.755 5 40 CCBB CN(CCN)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 54417820 HMRSCWXWOVGWTH-UHFFFAOYSA-N 259.287 0.174 5 40 CCBB C[C@@H]1CCCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 48222035 JCTYSMUHYTYTAM-MRVPVSSYSA-N 253.262 0.587 5 40 CCBB NC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 65607321 FQULZGNYBVEVLG-IEBDPFPHSA-N 275.264 0.095 5 40 CCBB O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCNCC2)c1 199733013 JUFRKLXWEALIEM-UHFFFAOYSA-N 285.325 0.330 5 40 CCBB C[C@@H](CC(=O)O)NC(=O)COc1cccc([N+](=O)[O-])c1 37457208 PYFJLSOYYFIJFV-QMMMGPOBSA-N 282.252 0.953 5 40 CCBB COC(CNC(=O)c1ccc([N+](=O)[O-])cc1)OC 34607273 JNFSCTMIDDWUKA-UHFFFAOYSA-N 254.242 0.944 5 40 CCBB CCOc1cc(/C=C2/NC(=O)NC2=O)cc([N+](=O)[O-])c1O 16956992 UAEIJJIKQZVCDB-XVNBXDOJSA-N 293.235 0.879 5 40 CCBB C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)O)C1=O 21966176 AZRDMRRQVPZEPZ-GFCCVEGCSA-N 293.235 0.446 5 40 CCBB O=c1[nH]c2cc(N3CCOCC3)c([N+](=O)[O-])cc2[nH]1 4906135 FRHFIFZBKPBIMX-UHFFFAOYSA-N 264.241 0.601 5 40 CCBB C[C@@H]1CC(=O)NCCN1c1ccc([N+](=O)[O-])cn1 71889450 DBSHLHZFQHJEEE-MRVPVSSYSA-N 250.258 0.705 5 40 CCBB COCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 18259769 BSHIGESJRZXNAD-UHFFFAOYSA-N 250.210 0.837 5 40 CCBB CC(C)(CN1CCN(CC(C)(C)[N+](=O)[O-])CC1)[N+](=O)[O-] 1689551 PYQLJAPEWWPYND-UHFFFAOYSA-N 288.348 0.715 5 40 CCBB Cc1nn(C)c(C(=O)Nc2ccn(C)n2)c1[N+](=O)[O-] 2782045 DJERGEKKNGNOPD-UHFFFAOYSA-N 264.245 0.623 5 40 CCBB CS(=O)(=O)N(CC(=O)O)c1cccc([N+](=O)[O-])c1 4703678 YEWMQFQGAMGRQI-UHFFFAOYSA-N 274.254 0.445 5 40 CCBB CN(C)S(=O)(=O)NCc1ccc([N+](=O)[O-])cc1 49239691 FFEYWBNNHGJCTQ-UHFFFAOYSA-N 259.287 0.491 5 40 CCBB Cc1nn(CSc2nncn2N)c(C)c1[N+](=O)[O-] 2554081 TUYYUVQTBOLBSV-UHFFFAOYSA-N 269.290 0.463 5 40 CCBB O=[N+]([O-])c1cn(C[C@H]2CO2)c(I)n1 8622424 XLQZRRHJSQFHQZ-BYPYZUCNSA-N 295.036 0.795 5 40 CCBB O=C(CCNC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])NC1CCCCC1 48747376 FCFQBTQIPXRBSM-MNOVXSKESA-N 283.328 0.607 5 40 CCBB CC1=CS(=O)(=O)C[C@@]1(Br)[N+](=O)[O-] 5416373 SYGSYIZJESZTLD-RXMQYKEDSA-N 256.077 0.687 5 40 CCBB O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2n1CCN=2 16669746 NREGANFHQKEHGS-YFHOEESVSA-N 275.289 0.280 5 40 CCBB CN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 6671036 HHBFITWCAPNTEO-UHFFFAOYSA-N 273.314 0.435 5 40 CCBB Cc1ncc([N+](=O)[O-])n1CCNC(=O)NC(C)C 20030983 PXKZGNBLZYWTGH-UHFFFAOYSA-N 255.278 0.807 5 40 CCBB C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C(N)=O 87025818 BUOIEIYHWDUGEC-QMMMGPOBSA-N 265.269 0.517 5 40 CCBB COC(=O)[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])cc1C 95942129 VWJXKGKQGPHODQ-CYBMUJFWSA-N 296.279 0.557 5 40 CCBB COCCNC(=O)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 10326753 QIUAGUSSMCWETR-UHFFFAOYSA-N 285.231 0.435 5 40 CCBB Cc1nn(CCC(=O)NCCCN(C)C)c(C)c1[N+](=O)[O-] 2782215 JGLUOGYLLLIFMA-UHFFFAOYSA-N 297.359 0.866 5 40 CCBB Cn1cc([N+](=O)[O-])cc1C(=O)NC1=NCCS1 14129125 WROPJQSNJGIGAE-UHFFFAOYSA-N 254.271 0.766 5 40 CCBB CCn1cc([N+](=O)[O-])c(C(=O)NCc2cnn(C)c2)n1 36611124 CKDIAYLQWGWBEI-UHFFFAOYSA-N 278.272 0.475 5 40 CCBB COC(=O)CCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 6849179 IDUHBRVLABUXOQ-UHFFFAOYSA-N 278.220 0.754 5 40 CCBB CC(=O)N1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 32806202 NRZNEUHXVOJIGT-UHFFFAOYSA-N 295.324 0.973 5 40 CCBB Cc1cc(NC(=O)CNc2[nH]nc(C)c2[N+](=O)[O-])no1 6908750 MQXSTBVUFKNGCX-UHFFFAOYSA-N 280.244 0.973 5 40 CCBB NC[C@@H]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 50246595 ZHPCGUQINWRBCM-VIFPVBQESA-N 285.325 0.564 5 40 CCBB O=C(O)CCn1cnc2ccc([N+](=O)[O-])cc2c1=O 2438812 PXCWYIIAPIBRGQ-UHFFFAOYSA-N 263.209 0.779 5 40 CCBB O=C(O)CNC(=O)CNSc1ccccc1[N+](=O)[O-] 33679829 YMUMNRVFERQUCZ-UHFFFAOYSA-N 285.281 0.392 5 40 CCBB Cc1ccc([N+](=O)[O-])cc1N[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]1O 3878466 ZKCLGQZHQXASOJ-INBRJWNWSA-N 298.295 0.143 5 40 CCBB Nn1c(S)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 25574051 DMJQTVSWUADETG-UHFFFAOYSA-N 298.240 0.470 5 40 CCBB Cc1cc2nc3c(=O)n(C)c(=O)nc-3[nH]c2cc1N 5737185 ZNWCTCNIYBQELQ-UHFFFAOYSA-N 257.253 0.012 5 40 CCBB biogenic NC(=O)[C@@H]1COCCN1Cc1c(F)cccc1[N+](=O)[O-] 92229421 XPLGSGDOWOIFCZ-NSHDSACASA-N 283.259 0.420 5 40 CCBB O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1CCCNC1 71397272 IUSRQGSYQOAHSK-SECBINFHSA-N 285.325 0.625 5 40 CCBB NCCCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 225496612 KFHGSYYGUKSWGJ-UHFFFAOYSA-N 265.316 0.283 5 40 CCBB O=C(N[C@@H]1CCSC1=O)c1ccc([N+](=O)[O-])o1 258609 UMYUETHEOWUHMM-RXMQYKEDSA-N 256.239 0.950 5 40 CCBB CC(C)CCC1(CC[N+](C)(C)C)C(=O)NC(=O)NC1=O 1752431 YPHKUSYTWQSMMN-UHFFFAOYSA-O 284.380 0.871 5 40 CCBB CCN([C@H]1CCNC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 71312729 YXYPKEXBVJMYOF-NSHDSACASA-N 299.352 0.967 5 40 CCBB C[C@H]1CN[C@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 86468462 BHSAAKDZSMOFQQ-ZJUUUORDSA-N 299.352 0.966 5 40 CCBB Cn1ccc(N2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2=O)n1 195553214 CUZORZVUZBEPSC-JTQLQIEISA-N 290.283 0.893 5 40 CCBB N[C@@H](CCC(=O)OCc1ccccc1[N+](=O)[O-])C(=O)O 1857794528 VIVPKBQEXREGQI-VIFPVBQESA-N 282.252 0.830 5 40 CCBB COc1ccc(C(=O)NCCC(=O)O)cc1[N+](=O)[O-] 19396715 GUPSWOOKLHJNSQ-UHFFFAOYSA-N 268.225 0.808 5 40 CCBB COC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 183391 LDMGQCBNJVSAQZ-UHFFFAOYSA-N 274.254 0.046 5 40 CCBB Cn1nccc1CNC(=O)c1n[nH]c([N+](=O)[O-])c1Cl 1012169 BJKSGCHOGFAUHA-UHFFFAOYSA-N 284.663 0.635 5 40 CCBB O=Cc1ccc(N2CCOCC2=O)cc1[N+](=O)[O-] 230483668 QRQSPPMBILIERG-UHFFFAOYSA-N 250.210 0.771 5 40 CCBB COc1ccc(Cn2nnnc2N)cc1[N+](=O)[O-] 59475027 GRRFUONVOYCQGY-UHFFFAOYSA-N 250.218 0.220 5 40 CCBB COC(=O)CNC(=O)CSc1ccc([N+](=O)[O-])cc1 15789749 BXDGKLKBXTYBLH-UHFFFAOYSA-N 284.293 0.976 5 40 CCBB Cn1c(CNC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])nc2ccccc21 89749708 NBJUOJQIKMDNCQ-KCJUWKMLSA-N 274.280 0.855 5 40 CCBB CS(=O)(=O)N(c1ccccc1[N+](=O)[O-])S(C)(=O)=O 4309882 NKZKNGVRTHCNCV-UHFFFAOYSA-N 294.310 0.320 5 40 CCBB NC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 87384354 CCUQRIVBPNHTJT-LLVKDONJSA-N 285.325 0.610 5 40 CCBB O=C(NC[C@@H]1CCCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 5251531 WURBYQFWLQULIL-NSHDSACASA-N 293.279 0.829 5 40 CCBB CN1CC(=O)N(CC(=O)Nc2ccccc2[N+](=O)[O-])C1=O 5858798 GNYWPZAYQRZFHV-UHFFFAOYSA-N 292.251 0.427 5 40 CCBB Cc1cnc(N2CCN([C@H](C)C(N)=O)CC2)c([N+](=O)[O-])c1 96461258 XBMIUIGGYZPXJG-SNVBAGLBSA-N 293.327 0.294 5 40 CCBB O=[N+]([O-])c1cccnc1NCCN1CCCS1(=O)=O 60874664 OYECFDLUYLUSRM-UHFFFAOYSA-N 286.313 0.437 5 40 CCBB CNc1c([N+](=O)[O-])ccc2c1=NC1(CCCCC1)[N+]=2[O-] 4311393 BXXDFMGAIGQBSJ-UHFFFAOYSA-N 276.296 0.919 5 40 CCBB CO[C@@H]1CNC[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1C 1548448255 XHLDGDUTGPQKAU-DGCLKSJQSA-N 293.323 0.549 5 40 CCBB O=[N+]([O-])c1ccc(N[C@@H]2CCS(=O)(=O)C2)nc1 12896018 KASCYTALVNMDDI-SSDOTTSWSA-N 257.271 0.589 5 40 CCBB COC(=O)[C@H]1CCCN1c1ncc([N+](=O)[O-])c(N)n1 97104031 MEVWUBQREKFLHR-ZCFIWIBFSA-N 267.245 0.109 5 40 CCBB NCC(=O)NC(=O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1 34064467 GNHORUNUKMZOTK-NSHDSACASA-N 292.295 0.165 5 40 CCBB Cc1c(CN(C)C(=O)c2nn(C)cc2[N+](=O)[O-])cnn1C 376055 ZQSNYPKQSOUDFT-UHFFFAOYSA-N 292.299 0.642 5 40 CCBB CNC(=O)Cc1noc(-c2ccc([N+](=O)[O-])cc2)n1 79106641 USMTXAVGITUXFS-UHFFFAOYSA-N 262.225 0.933 5 40 CCBB COC(=O)c1cc([N+](=O)[O-])ccc1N1CCNCC1 3884277 PYZUYRBYEKFTPS-UHFFFAOYSA-N 265.269 0.791 5 40 CCBB O=[N+]([O-])c1ccc2c(ccn2[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)c1 4601256 MNXWZTJAKNRWBN-NDBYEHHHSA-N 294.263 0.161 5 40 CCBB C[C@]12C(=O)N(CC[N+](C)(C)C)C(=O)[C@@]1(C)[C@@H]1CC[C@@H]2O1 103863078 NQSPKNLBKKAEBP-LWWSYDQCSA-N 281.376 0.635 5 40 CCBB O=C(CCn1cc([N+](=O)[O-])cn1)N1CCN2CCC[C@H]2C1 2770901 VHEKAJLLKYVFBE-NSHDSACASA-N 293.327 0.488 5 40 CCBB Cc1ccc(NC(=O)C(=O)N[C@H](C)CO)cc1[N+](=O)[O-] 32937349 TVRDMHCEWLGXOE-MRVPVSSYSA-N 281.268 0.339 5 40 CCBB Nc1nc(N2CCCC2)nc(N2CCOCC2)c1[N+](=O)[O-] 4306435 HCIYQLPBDXSFCU-UHFFFAOYSA-N 294.315 0.404 5 40 CCBB O=[N+]([O-])c1c(NN2CCOCC2)nc2sccn12 8725207 MUOIQBSHQMHWPH-UHFFFAOYSA-N 269.286 0.963 5 40 CCBB COC(=O)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 231475 DWCJQSUSRZNHSY-SSDOTTSWSA-N 252.226 0.886 5 40 CCBB O=[N+]([O-])c1ccc(CS(=O)(=O)NCCO)cc1 35610845 LMKHCGDODZLQQM-UHFFFAOYSA-N 260.271 0.007 5 40 CCBB O=C(OC[C@@H](O)CO)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2289182 CAGUMCDZGYGVKL-ZETCQYMHSA-N 286.196 0.013 5 40 CCBB O=[N+]([O-])c1cc(C2=NCCN2)cc(C2=NCCN2)c1 4015698 MTZPNEUCJNZQBQ-UHFFFAOYSA-N 259.269 0.294 5 40 CCBB COC(=O)c1cn(C[C@@H](C)C(=O)O)nc1[N+](=O)[O-] 408716189 JUVJAJMKFDVRDY-RXMQYKEDSA-N 257.202 0.299 5 40 CCBB C[C@@H]1CNCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 71978923 GJESURAVBZIPGG-MRVPVSSYSA-N 294.267 0.937 5 40 CCBB NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 33648537 CJSQAFQNYLQGAA-UHFFFAOYSA-N 253.239 0.790 5 40 CCBB O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@@H]2CNC[C@@H]2C1 90322291 WSBREHDVLGAGBL-AOOOYVTPSA-N 297.336 0.435 5 40 CCBB CC(=O)N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)O 71256923 MYWCKMXQJXDPQZ-QMMMGPOBSA-N 268.225 0.432 5 40 CCBB CC(C)C[C@@H](CO)Nc1ncc([N+](=O)[O-])c(N)n1 69922305 RRMIKWKWHBHQOY-ZETCQYMHSA-N 255.278 0.786 5 40 CCBB COC[C@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 10325463 MNZBLZDLVGXPAQ-QMMMGPOBSA-N 281.268 0.684 5 40 CCBB Cn1ncc2nc(-c3cc([N+](=O)[O-])ccc3O)[nH]c(=O)c21 2806371 WMBVTXWMDOTTSX-UHFFFAOYSA-N 287.235 0.937 5 40 CCBB Cc1cc([N+](=O)[O-])cnc1NCCCc1n[nH]c(=O)[nH]1 84101616 DSHRLNHFGCGUOO-UHFFFAOYSA-N 278.272 0.754 5 40 CCBB O=C(Cc1ccccc1[N+](=O)[O-])O[C@H]1CCOC1=O 3257295 YIQZEVCNVMOBTC-JTQLQIEISA-N 265.221 0.996 5 40 CCBB CS(=O)(=O)c1ccc(N2CCOCC2)cc1[N+](=O)[O-] 72233617 SMVHCVZONDAYIX-UHFFFAOYSA-N 286.309 0.835 5 40 CCBB CS(=O)(=O)[C@@H](CO)[C@H](O)c1cccc([N+](=O)[O-])c1 96521805 GOHNTTXJPUZVDI-VHSXEESVSA-N 275.282 0.034 5 40 CCBB O=[N+]([O-])Nc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 100934464 BRGPAXMTNFNGON-UHFFFAOYSA-N 268.145 0.983 5 40 CCBB CN[C@@H](CC(=O)O)C(=O)Nc1cccc([N+](=O)[O-])c1 5091478 VYTLASDMZLMNBF-VIFPVBQESA-N 267.241 0.596 5 40 CCBB O=C(Nc1cccnc1N1CCOCC1)[C@H]1C[C@@H]1[N+](=O)[O-] 56164624 IEHWXZFZDGRSKK-ONGXEEELSA-N 292.295 0.522 5 40 CCBB Nc1ccc(C(=O)OCC(=O)NC2CC2)cc1[N+](=O)[O-] 6269015 MJHZBJQWVGYZNW-UHFFFAOYSA-N 279.252 0.612 5 40 CCBB CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 4504685 RMZHQFVSIFNICG-NSHDSACASA-N 298.320 0.854 5 40 CCBB CCOC(CNc1ncnc(N)c1[N+](=O)[O-])OCC 3912487 LELCBHVYGHNSQV-UHFFFAOYSA-N 271.277 0.778 5 40 CCBB CC(=O)c1ccc(N2CCN(CCO)CC2)c([N+](=O)[O-])c1 35149995 IEAXIMGCIJYNBI-UHFFFAOYSA-N 293.323 0.912 5 40 CCBB CN(C)S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 6878690 INWXUOFWTSUPFC-UHFFFAOYSA-N 290.257 0.721 5 40 CCBB O=C(NCc1ccc2c(c1)OCCO2)[C@H]1C[C@H]1[N+](=O)[O-] 44966772 VARRTQQIXCABGL-VHSXEESVSA-N 278.264 0.739 5 40 CCBB COc1cc(NCCc2n[nH]c(=O)[nH]2)ccc1[N+](=O)[O-] 89429341 NIQWNWPCTMCNMD-UHFFFAOYSA-N 279.256 0.669 5 40 CCBB C[C@H](CO)CC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C 113356638 LLTZCMHGDVZAGS-UWVGGRQHSA-O 262.326 0.098 5 40 CCBB O=c1ccc(=O)c2sc3c(=O)ccc(=O)c3sc12 14983648 HFIWRDPIRQQHEH-UHFFFAOYSA-N 276.294 0.995 5 40 CCBB NC[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 44528922 JDQORBOXSVCPNG-JTQLQIEISA-N 299.352 0.954 5 40 CCBB NC(=O)c1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 6413971 KLZSZKKALVEYGQ-UHFFFAOYSA-N 275.224 0.669 5 40 CCBB CCN(/C=C/c1c([N+](=O)[O-])c(=O)n(C)c(=O)n1C)CC 98063838 CXARRGPHBMBICZ-BQYQJAHWSA-N 282.300 0.305 5 40 CCBB NCC1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 36296701 QHGGSHQBBPKQIP-UHFFFAOYSA-N 299.352 0.954 5 40 CCBB Cc1nn(CC(=O)N[C@@H]2CCCC[C@H]2O)c(C)c1[N+](=O)[O-] 51991210 VLYYLRHBEHGWEE-GHMZBOCLSA-N 296.327 0.828 5 40 CCBB CNc1ccc(/C=C2\NC(=S)NC2=O)cc1[N+](=O)[O-] 13129881 HNYSGQBQRSRHQT-YWEYNIOJSA-N 278.293 0.982 5 40 CCBB Cc1c([N+](=O)[O-])cnn1CCC(=O)NC1CCN(C)CC1 2793667 BBPBJBREWVKAPO-UHFFFAOYSA-N 295.343 0.700 5 40 CCBB O=[N+]([O-])c1cc(-n2cnnn2)c(O)c([N+](=O)[O-])c1 1836604 VPBHUWXWBDHQKB-UHFFFAOYSA-N 252.146 0.184 5 40 CCBB O=C(O)c1[nH]nc([N+](=O)[O-])c1I 72339165 WETDNIDLJRHHAD-UHFFFAOYSA-N 282.981 0.621 5 40 CCBB O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCNCC1 22219215 VBDLQKCVPSPMID-UHFFFAOYSA-N 285.325 0.579 5 40 CCBB Cc1cc(S(=O)(=O)Nc2nnc[nH]2)ccc1[N+](=O)[O-] 172192808 YKKDXNBRSCXUBO-UHFFFAOYSA-N 283.269 0.822 5 40 CCBB CCCNC(=O)COC(=O)c1ccc([N+](=O)[O-])o1 3571605 APGMLEVHUPVFGE-UHFFFAOYSA-N 256.214 0.871 5 40 CCBB CN(CCNS(C)(=O)=O)Cc1csc([N+](=O)[O-])c1 71904676 SHKYSZNTHMSOPD-UHFFFAOYSA-N 293.370 0.637 5 40 CCBB O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCNCC2)cc1 21058629 RXONDXMEJQIUCX-UHFFFAOYSA-N 285.325 0.330 5 40 CCBB COCCN(CCOC)c1ncnc(N)c1[N+](=O)[O-] 40608674 FAELPWVSRDPPES-UHFFFAOYSA-N 271.277 0.066 5 40 CCBB CCn1nc(C)c([N+](=O)[O-])c1C(=O)/N=c1/[nH]cc(C)[nH]1 97376051 HTMHPXLIHSOQIB-UHFFFAOYSA-N 278.272 0.825 5 40 CCBB CC(C)NC(=O)c1nc(Cn2ccc([N+](=O)[O-])n2)no1 4743356 GYSDJQDAWFFBLP-UHFFFAOYSA-N 280.244 0.361 5 40 CCBB O=[N+]([O-])c1ccccc1NCCN[C@@H]1CCS(=O)(=O)C1 69652784 DQUXYZZUCOXGJK-SNVBAGLBSA-N 299.352 0.783 5 40 CCBB O=c1ccc([N+](=O)[O-])cn1CCN1CCSCC1 89765131 XBHKVRQCJUGHSB-UHFFFAOYSA-N 269.326 0.805 5 40 CCBB C[C@@H](Cn1cc(-n2cc([N+](=O)[O-])cn2)cn1)C(=O)O 685936781 YEUYKVCFVZZVSG-ZETCQYMHSA-N 265.229 0.698 5 40 CCBB CC1=C(C(N)=O)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 71648 HWOIRXPMQSPIDY-SNVBAGLBSA-N 276.252 0.708 5 40 CCBB NC(=O)[C@H]1CCCCC[C@@H]1Nc1ncc([N+](=O)[O-])c(N)n1 84334914 KQYQUVXJMXWFHP-YUMQZZPRSA-N 294.315 0.813 5 40 CCBB COC(=O)[C@@H]1C[C@H](Oc2ccccc2[N+](=O)[O-])CN1 42783189 NQGHUMKNXJSFDC-IUCAKERBSA-N 266.253 0.877 5 40 CCBB Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCO)c2cc1C 1666569 MYNIJFMVMJFIPZ-UHFFFAOYSA-N 286.291 0.194 5 40 CCBB O=C(c1ccccc1CC[N+](=O)[O-])N1CCOCC1 4090780 FDCDZTHKCUAEBK-UHFFFAOYSA-N 264.281 0.978 5 40 CCBB Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1CCCO1 7344391 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