smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1nn(CC(=O)O[C@H](C(=O)NC(N)=O)C(C)C)c(C)c1[N+](=O)[O-] 3428029 UFYXZKFLHPQOCQ-NSHDSACASA-N 341.324 0.171 5 40 ECBB C[C@H](CS(C)(=O)=O)NC(=O)CCNc1ccccc1[N+](=O)[O-] 69808568 BSYITEWPBBMICT-SNVBAGLBSA-N 329.378 0.946 5 40 ECBB CNS(=O)(=O)c1ccc(N(CCOC)CCOC)c([N+](=O)[O-])c1 15206920 YPEDQGIAYKYTLJ-UHFFFAOYSA-N 347.393 0.602 5 40 ECBB NC(=O)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 69769707 WFVWVYUWPFVAAW-SECBINFHSA-N 335.316 0.704 5 40 ECBB O=[N+]([O-])[C@H]1[C@H](c2cccs2)[C@H]([N+](=O)[O-])[C@H]2C[C@@]1(O)[C@H]1OC[C@H]2O1 247715379 NBRMGPBDYBCTGR-IEGZOITLSA-N 342.329 0.628 5 40 ECBB O=C(C1CC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 7309774 NCDAIVJEBYTGEQ-UHFFFAOYSA-N 339.373 0.838 5 40 ECBB CN1C[C@@H](N(C)S(=O)(=O)c2cccnc2[N+](=O)[O-])CCC1=O 1561704233 NFTZZELCRHQBPU-VIFPVBQESA-N 328.350 0.231 5 40 ECBB O=C(COC(=O)CN1C(=O)CCC1=O)Nc1ccc([N+](=O)[O-])cc1 24661250 KGLDZBXZKVFQCV-UHFFFAOYSA-N 335.272 0.226 5 40 ECBB COC(=O)CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC(=O)OC 12417649 VWMSCRSTJRDQOP-UHFFFAOYSA-N 332.290 0.720 5 40 ECBB Cc1nn(CC(=O)NCCCN2CCOCC2)c(C)c1[N+](=O)[O-] 19913577 OFAXEKAGZRTWET-UHFFFAOYSA-N 325.369 0.247 5 40 ECBB O=C(c1ccc[nH]c1=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 32830096 UDNBGGDQVLPOOJ-UHFFFAOYSA-N 329.316 0.641 5 40 ECBB CCN(C(=O)COc1cccnc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 5971220 FLDSLBWEXIIBTM-JTQLQIEISA-N 343.361 0.404 5 40 ECBB Cn1cc(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2)cc1C(N)=O 32770538 SBCXETPHXRALFC-UHFFFAOYSA-N 325.302 0.800 5 40 ECBB Cc1nsc(N2CCN(C(=O)c3cc([N+](=O)[O-])cnc3N)CC2)n1 96007124 LDHQSEIQJXTKTM-UHFFFAOYSA-N 349.376 0.694 5 40 ECBB C[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)N1CCOC[C@@H]1C 71900321 NTBDUNOMZPBNRM-RYUDHWBXSA-N 325.369 0.407 5 40 ECBB O=[N+]([O-])c1ccc(N2CCO[C@H](Cn3ccnn3)C2)c([N+](=O)[O-])c1 585118010 RMNBKXZELMLXAT-NSHDSACASA-N 334.292 1.000 5 40 ECBB COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 84190076 XEPBYBYMHWJUPC-QWRGUYRKSA-N 344.345 0.200 5 40 ECBB CN(C)N(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CS(=O)(=O)C[C@H]1O 575422329 UXTKBEBHPVOBBS-CHWSQXEVSA-N 329.378 0.031 5 40 ECBB CC(=O)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])o2)NC(=O)N[C@@]1(O)C(F)(F)F 12377595 OQVZRZYLFMNKGQ-MRTMQBJTSA-N 337.210 0.998 5 40 ECBB CC(=O)OCCn1c2nc(=O)[nH]c(=O)c-2nc2cc(C)c(C)cc21 1666568 PVRDHKBVCDWVPD-UHFFFAOYSA-N 328.328 0.765 5 40 ECBB NC(=O)COc1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)cc1 409335198 ZJOQHGOFFYZTLX-ZZXKWVIFSA-N 332.272 0.831 5 40 ECBB C[C@H](O)CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 6911588 JIEYNNOVRLUDCS-JTQLQIEISA-N 345.377 0.408 5 40 ECBB CC[C@H](C)[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(=O)OC 40464862 ASQXEHFEGSCLQU-TVQRCGJNSA-N 325.321 0.460 5 40 ECBB CCOC(=O)C(NC(C)=O)(C(=O)OCC)c1ccc([N+](=O)[O-])cn1 1561330 LHWFQJFPKIQJOV-UHFFFAOYSA-N 339.304 0.447 5 40 ECBB CNS(=O)(=O)c1ccc(N2CCC(C(N)=O)CC2)c([N+](=O)[O-])c1 6822424 QAZDTMXOWKRZFQ-UHFFFAOYSA-N 342.377 0.205 5 40 ECBB CCOC(=O)c1nnn(-c2nonc2N)c1-c1cccc([N+](=O)[O-])c1 3095481 MONJPYJSXWFVDW-UHFFFAOYSA-N 345.275 0.984 5 40 ECBB CNS(=O)(=O)c1ccc(NC[C@](C)(N)COC)c([N+](=O)[O-])c1 72284416 LSBRYTAQBMFFNN-LBPRGKRZSA-N 332.382 0.279 5 40 ECBB Cn1nnc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1 14258553 JDCGQYGAVAFKRI-UHFFFAOYSA-N 333.308 0.207 5 40 ECBB CC1=NNC(=O)[C@@H]1CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 101131048 CMVNEUPOFLZTAP-SECBINFHSA-N 341.349 0.166 5 40 ECBB O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1CCCS(=O)(=O)C1 69841239 JFBQARXEPOLIHU-VIFPVBQESA-N 334.375 0.450 5 40 ECBB CS(=O)(=O)N1CCCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 24776769 CVWUCLCTDNXVSL-UHFFFAOYSA-N 327.362 0.702 5 40 ECBB N=C(N)NC1=NC(=O)[C@@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2)S1 20064260 GZSFFKVANRIDQX-MRVPVSSYSA-N 336.333 0.404 5 40 ECBB COC(=O)C1=C2C(=O)NCCN2C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 58420692 IAYKKCUPZDRMGU-LLVKDONJSA-N 346.299 0.218 5 40 ECBB O=c1[nH]nc(CCNc2ncc(Br)cc2[N+](=O)[O-])[nH]1 95416558 VINLAWGHYVEFCZ-UHFFFAOYSA-N 329.114 0.818 5 40 ECBB NNc1nc(Nc2ccc([N+](=O)[O-])cc2)nc(N2CCOCC2)n1 16428722 VYVMAFHWPHRJPK-UHFFFAOYSA-N 332.324 0.646 5 40 ECBB O=C(NCCN1CCS(=O)(=O)CC1)c1ccc([N+](=O)[O-])cc1 44917766 KLBIEJIJEYOZQX-UHFFFAOYSA-N 327.362 0.055 5 40 ECBB Cc1nn(C)c(N2CCN([C@H](C)C(=O)NC3CC3)CC2)c1[N+](=O)[O-] 47331234 UIKWAILHLNAHIB-LLVKDONJSA-N 336.396 0.426 5 40 ECBB Cn1ncc2c(N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)ncnc21 25569605 CYENPUFOPKCHTJ-UHFFFAOYSA-N 340.347 0.993 5 40 ECBB Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1[N+](=O)[O-] 15497238 YQHFDTFTFPOAJZ-UHFFFAOYSA-N 332.316 0.717 5 40 ECBB COC(=O)C(C(=O)OC)[C@@H](C[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 16189607 KXHGLPKCSJTILD-JTQLQIEISA-N 326.261 0.917 5 40 ECBB COC(=O)[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 548582471 YHNGRUZXVZYEJP-CQSZACIVSA-N 340.288 0.020 5 40 ECBB O=[N+]([O-])c1cccnc1N1CCN(S(=O)(=O)N2CCCC2)CC1 32908852 LNKNYSHIJUIMAR-UHFFFAOYSA-N 341.393 0.452 5 40 ECBB CCOC(=O)Cn1nnnc1[C@H](c1ccc([N+](=O)[O-])cc1)N(C)C 20494869 AZSVTUHDFGJTHM-ZDUSSCGKSA-N 334.336 0.795 5 40 ECBB COC(=O)c1cn(-c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)nn1 1857793701 OUQJWURFEOSRKU-UHFFFAOYSA-N 346.347 0.714 5 40 ECBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCN1CCOCC1 12869843 OLCYHEBKNIYEMW-UHFFFAOYSA-N 343.405 0.904 5 40 ECBB CS(=O)(=O)c1ccc(N2CCC(C(N)=O)CC2)c([N+](=O)[O-])c1 4216115 IBSMYCRTQCRCJF-UHFFFAOYSA-N 327.362 0.700 5 40 ECBB CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 10753129 VUGKNNQVLJTTEO-LBPRGKRZSA-N 327.362 0.836 5 40 ECBB CN(C)CCOCCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 95465027 UELYXEIAQANQRV-UHFFFAOYSA-N 338.364 0.019 5 40 ECBB O=C(O)CN1C(=O)N/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O 408595393 QCSWBYUSVSDCTB-XFSBKJJWSA-N 335.228 0.301 5 40 ECBB Cc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1[N+](=O)[O-] 19943140 DYKBONIOFCQGPN-UHFFFAOYSA-N 329.378 0.514 5 40 ECBB O=C(C[C@H]1SC[C@H](C(=O)O)NC1=O)Nc1ccc([N+](=O)[O-])cc1 13636819 ZPMYFIUAMGYTIJ-NXEZZACHSA-N 339.329 0.608 5 40 ECBB Cc1ccc(S(=O)(=O)N[C@@H](C)Cn2cncn2)c([N+](=O)[O-])c1 66579638 PIJPIJJYOKDJHY-JTQLQIEISA-N 325.350 0.862 5 40 ECBB COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CCC(=O)O)C(=O)O 2033535 CCONEFCPIOMISR-SECBINFHSA-N 326.261 0.651 5 40 ECBB O=C(C[C@@H]1SC[C@@H](C(=O)O)NC1=O)Nc1ccccc1[N+](=O)[O-] 20635138 JIZUODQYDAUCAD-WPRPVWTQSA-N 339.329 0.608 5 40 ECBB COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CC(=O)NC1CC1 32406774 XFRAGDIUSZSBBS-UHFFFAOYSA-N 343.361 0.503 5 40 ECBB O=C(Cn1cccc([N+](=O)[O-])c1=O)NC1CCC2(CC1)OCCO2 78979195 ZCCUKPCDWIZZEY-UHFFFAOYSA-N 337.332 0.558 5 40 ECBB COCCCn1c(=O)c2ccc3c(=O)[nH]c(=O)c4ccc(c1=O)c2c34 5236079 MNHCSLCSNBDGFU-UHFFFAOYSA-N 338.319 0.629 5 40 ECBB COc1ccnc(NNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 31721310 OXABCKPFKGKAFQ-UHFFFAOYSA-N 325.306 0.699 5 40 ECBB O=[N+]([O-])[C@H]1[C@@H](c2cccs2)[C@H]([N+](=O)[O-])[C@H]2C[C@@]1(O)[C@H]1OC[C@H]2O1 247715370 NBRMGPBDYBCTGR-BHIHFIIZSA-N 342.329 0.628 5 40 ECBB CCN1c2ccc([N+](=O)[O-])cc2CC2(C(=O)NC(=O)NC2=O)[C@H]1C 17245819 DSHGGQMZCCORKD-MRVPVSSYSA-N 332.316 0.718 5 40 ECBB O=[N+]([O-])c1cnc(N[C@@H]2C=C[C@H](CO)C2)nc1N[C@@H]1C=C[C@H](CO)C1 585092532 CUADGEFBQVPEKA-WUHRBBMRSA-N 347.375 1.083 5 40 ECBB O=[N+]([O-])c1cccnc1N1CCN(S(=O)(=O)c2cccnc2)CC1 32825041 GRLLWPWRDTZLMP-UHFFFAOYSA-N 349.372 0.896 5 40 ECBB CN1CCN(C(=O)CCNC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 40553610 YZWPTBBRTPFABY-UHFFFAOYSA-N 335.364 0.880 5 40 ECBB Cc1nn(CC(=O)OCC(=O)NCc2ccco2)c(C)c1[N+](=O)[O-] 3451365 KEVBYJBWTSXGKD-UHFFFAOYSA-N 336.304 0.861 5 40 ECBB C[C@]12C=C[C@](CO)(O1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 222247371 MWAWEQPSVBBHFO-NOXHYTERSA-N 330.296 0.790 5 40 ECBB C[C@H](OC(=O)CN1C(=O)CCC1=O)C(=O)Nc1cccc([N+](=O)[O-])c1 24498206 WLXVRTHNLXJEQF-VIFPVBQESA-N 349.299 0.614 5 40 ECBB CS(=O)(=O)N1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 24777666 TZWQKTQBYZDMMQ-UHFFFAOYSA-N 341.389 0.631 5 40 ECBB CN(C)C(=O)Cn1cc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)nn1 69528038 QNSNTJBTEXFWOJ-UHFFFAOYSA-N 332.320 0.551 5 40 ECBB NC(=O)[C@@H]1CC(=O)N(CCNc2ccc(Cl)cc2[N+](=O)[O-])C1 45958834 DKYHUNWEYFGOLE-MRVPVSSYSA-N 326.740 0.994 5 40 ECBB NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(C(=O)N2CCCC2)CC1 40511138 DJENIDBRKIKDOC-UHFFFAOYSA-N 347.375 0.928 5 40 ECBB CC(=O)OC[C@H](CO[P@@](=O)(O)CC[N+](C)(C)C)OC(C)=O 12358620 SADLPDQPNWOMMM-GFCCVEGCSA-O 326.306 0.389 5 40 ECBB biogenic,in-vitro CC(C)=C1N=C2NC(=O)C[C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)N2N1 101772245 NNJCVYDSKWNZRX-NSHDSACASA-N 344.331 0.849 5 40 ECBB Cn1cnc([N+](=O)[O-])c1N1CCN(c2ncnc3c2cnn3C)CC1 22079774 WYIZOZWFBYIAOT-UHFFFAOYSA-N 343.351 0.332 5 40 ECBB CCn1nnc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1 14258563 QVEISWLNRWGXHW-UHFFFAOYSA-N 347.335 0.690 5 40 ECBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H](C(=O)O)N1CCNCC1 22997050 ZYJIRVHKXQVIHY-CYBMUJFWSA-N 336.348 0.590 5 40 ECBB CNC(=O)[C@H]1CCC[C@H]1Nc1cc(S(N)(=O)=O)ccc1[N+](=O)[O-] 585092685 JBAGLHUMCWTSED-VHSXEESVSA-N 342.377 0.569 5 40 ECBB CS(=O)(=O)c1ccc(C(=O)O[C@@H]2CCOC2=O)cc1[N+](=O)[O-] 2664510 HHWVIDZNGFRYPT-SECBINFHSA-N 329.286 0.471 5 40 ECBB Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@](CO)(O4)[C@@H]3C2=O)c([N+](=O)[O-])c1 4121645 GYFLGFTWDXAQIG-LMOYCYGVSA-N 330.296 0.709 5 40 ECBB Cn1ccc(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)n1 24477105 UBMMSBNDNSXVRG-UHFFFAOYSA-N 331.288 0.692 5 40 ECBB CCc1nncn1CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 72302142 DNSBFYYYDVJEEK-UHFFFAOYSA-N 340.365 0.508 5 40 ECBB O=c1oc(-c2cccs2)nn1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 96435712 KKQVQJLTSHXTRU-VIFPVBQESA-N 337.317 0.731 5 40 ECBB CN(C)C(=O)[C@@H]1CSCN1C(=O)COc1ccc([N+](=O)[O-])cc1 66657797 BLIWVDONDPMYNT-LBPRGKRZSA-N 339.373 0.963 5 40 ECBB NS(=O)(=O)N1CCCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 69601912 AEDZEGARGSLGSG-UHFFFAOYSA-N 334.785 0.964 5 40 ECBB O=C1NCCCC[C@@H]1NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 84403268 XYOBOXQNYDMQQV-LBPRGKRZSA-N 327.362 0.683 5 40 ECBB C[C@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 222323055 LISZCJNACBYSRK-KOZAUXTDSA-N 330.296 0.790 5 40 ECBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(CO)C=C[C@H]2O1 408728186 IWQNSHCJXRSXNL-JXFSHQFZSA-N 346.295 0.409 5 40 ECBB Cc1nn(CC(=O)N[C@@]2(C)CCS(=O)(=O)C2)c(C)c1[N+](=O)[O-] 8985457 QYQCFWGMPZXFOQ-LBPRGKRZSA-N 330.366 0.102 5 40 ECBB CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)cc1[N+](=O)[O-] 229784765 QMZSVFCQNRPEPJ-SYQHCUMBSA-N 344.279 0.963 5 40 ECBB CC(C)CNC(=O)c1c(NC(=O)Cn2cc([N+](=O)[O-])cn2)cnn1C 2731295 UOSZFUVSAHYNQQ-UHFFFAOYSA-N 349.351 0.549 5 40 ECBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCCS(=O)(=O)C1 69699939 AENLCHAOLLQDFO-JTQLQIEISA-N 348.402 0.759 5 40 ECBB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 3152691 CKBXSKNUGJBECF-UHFFFAOYSA-N 326.290 0.081 5 40 ECBB O=C1NC(=O)C2(CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)N1 12940328 XDIQLQNYNHSXBE-UHFFFAOYSA-N 332.316 0.338 5 40 ECBB CCN1c2ccc([N+](=O)[O-])cc2CC2(C(=O)NC(=O)NC2=O)[C@@H]1C 18183458 DSHGGQMZCCORKD-QMMMGPOBSA-N 332.316 0.718 5 40 ECBB CN([C@@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 4505184 XZQJNPWNMDLSIA-LBPRGKRZSA-N 348.402 0.793 5 40 ECBB CC(=O)N[C@H](CS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)O 2044408 AVLDINKSQMNXPU-LLVKDONJSA-N 330.318 0.099 5 40 ECBB CN1CCN(c2nc(NC[C@H]3CCCO3)nc(N)c2[N+](=O)[O-])CC1 5028962 QQDFKYDWWQTPHU-SNVBAGLBSA-N 337.384 0.310 5 40 ECBB CC(=O)N[C@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1 13545986 NVTKZNQMDICGHC-GFCCVEGCSA-N 336.352 0.301 5 40 ECBB O=C(NCCCN1CCOCC1)C(=O)Nc1ccccc1[N+](=O)[O-] 23006474 XULIVBKTIHOQLN-UHFFFAOYSA-N 336.348 0.372 5 40 ECBB CN1CCO[C@@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 63987621 BLDCNNXXHQLGKU-JTQLQIEISA-N 329.378 0.741 5 40 ECBB Cc1nc(C2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)no1 78938792 MUVFABDSYKKKJV-ZDUSSCGKSA-N 336.352 0.723 5 40 ECBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3C=C[C@](CO)(O3)[C@@H]2C1=O 6215994 GAVVTURRVRJOGN-LMOYCYGVSA-N 330.296 0.709 5 40 ECBB COc1ccc2c(=O)n3nc(N(CCO)CCO)ccc3nc2c1 5514534 NHHNBJTYPNGJHF-UHFFFAOYSA-N 330.344 0.042 5 40 ECBB CC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])o2)NC(=O)N[C@]1(O)C(F)(F)F 4192833 OQVZRZYLFMNKGQ-KHQFGBGNSA-N 337.210 0.998 5 40 ECBB Cn1c2c(c(=O)n(C)c1=O)[C@@H]1c3cc([N+](=O)[O-])ccc3OC[C@@H]1CO2 5482720 YYQUSDKUHAAYFM-PELKAZGASA-N 345.311 0.525 5 40 ECBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=C[C@@]2(CO)O1 408728185 IWQNSHCJXRSXNL-IATRGZMQSA-N 346.295 0.409 5 40 ECBB CC(C)OC(=O)C1=NN[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 6256377 QOJWPAGWJUVIRS-MNOVXSKESA-N 346.299 0.364 5 40 ECBB CCNC(=O)CN1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 36393217 RVNSXKQIHRCWTJ-UHFFFAOYSA-N 336.392 0.727 5 40 ECBB O=c1[nH]c2ccc3c(=O)n(CCOCCO)c(=O)c4ccc1c2c34 41124573 MIQNKKDLCKOYQW-UHFFFAOYSA-N 326.308 0.241 5 40 ECBB O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)NC[C@@H]1CCCO1 3445233 SZOPUJSZIUEUKZ-NSHDSACASA-N 332.316 0.600 5 40 ECBB Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)CC(=O)NC1CC1 46033856 SSIOLZYNXVJONQ-UHFFFAOYSA-N 327.362 0.802 5 40 ECBB CCN1CCN(CCNc2nc3ccccn3c(=O)c2[N+](=O)[O-])CC1 31784519 NOCDEZJTWZNCTB-UHFFFAOYSA-N 346.391 0.652 5 40 ECBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NC[C@H]1CCCO1 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344.327 0.862 5 40 ECBB O=C1c2ccccc2S(=O)(=O)N1CCn1cc([N+](=O)[O-])ccc1=O 8705692 NKDNRPKCISTQCA-UHFFFAOYSA-N 349.324 0.601 5 40 ECBB Cc1ccc(N2CCN(C(=O)c3c[nH]c(=O)[nH]3)CC2)c([N+](=O)[O-])c1 95973727 DUUDXLVCCIDEOK-UHFFFAOYSA-N 331.332 0.882 5 40 ECBB O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NC[C@@H]1CCCO1)OCCO2 72408071 PYGOSOQXOUQREF-VIFPVBQESA-N 344.345 0.823 5 40 ECBB O=[N+]([O-])c1ccc(N2CCN3CCS(=O)(=O)C[C@@H]3C2)c(F)c1 521398409 FNTQUSBFETUJDS-NSHDSACASA-N 329.353 0.653 5 40 ECBB CCOC(=O)C1=C(COC(=O)c2ccc([N+](=O)[O-])cc2)NC(=O)NC1 12979630 CMWPTOBRLCUXJZ-UHFFFAOYSA-N 349.299 0.882 5 40 ECBB O=C(CN1CCC[C@@H](O)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 24166923 PQORVTDWVNOXRB-MRXNPFEDSA-N 348.403 0.700 5 40 ECBB Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 12446599 OJVPVNDOVQNJID-UHFFFAOYSA-N 339.333 0.386 5 40 ECBB CCn1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)n1 12843645 MAXRBOVPIVGKDJ-UHFFFAOYSA-N 347.335 0.690 5 40 ECBB Cc1nc(C2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)no1 78938801 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CN(CC(=O)NC1CC1)C(=O)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 28005678 BJSUOVRYGSATBB-UHFFFAOYSA-N 348.315 0.240 5 40 ECBB O=[N+]([O-])c1cc(I)ccc1NC[C@@H](O)CO 85245720 BWJUTZQJONWTAF-SSDOTTSWSA-N 338.101 0.965 5 40 ECBB C[C@@H](O)[C@H]1C(=O)N2[C@H]1CC(=O)[C@@H]2C(=O)OCc1ccc([N+](=O)[O-])cc1 39372641 YBIDYTOJOXKBLO-MGNUUCGSSA-N 348.311 0.187 5 40 ECBB CCS(=O)(=O)C[C@]1(c2ccc([N+](=O)[O-])cc2)OC[C@H](CO)O1 96531800 ZQRUJDBJPRPZMH-STQMWFEESA-N 331.346 0.590 5 40 ECBB CN1CCN(C[C@H](O)CN(C)c2nc3ccccn3c2[N+](=O)[O-])CC1 69900684 IUOPCUSJINMKBO-CYBMUJFWSA-N 348.407 0.287 5 40 ECBB Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)CN1CCOCC1 46035620 JAXDXSGMKLPPFE-LBPRGKRZSA-N 343.405 0.902 5 40 ECBB Cc1ccc(S(=O)(=O)N2CCN3C(=O)NC[C@H]3C2)c([N+](=O)[O-])c1 79044649 LXSQMLDVUNZPBS-JTQLQIEISA-N 340.361 0.301 5 40 ECBB CCOC(=O)Cn1nc([N+](=O)[O-])cc1I 953126696 NCJREAYHKWORTB-UHFFFAOYSA-N 325.062 0.959 5 40 ECBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCCN1CCCC1=O 10327987 HYQOMBIIJONPAU-UHFFFAOYSA-N 348.359 0.970 5 40 ECBB Cc1ccc(S(=O)(=O)N2CCOC[C@H]2CCO)cc1[N+](=O)[O-] 89652167 BXOJSQJHKKVODZ-LLVKDONJSA-N 330.362 0.675 5 40 ECBB COC(=O)c1cc(C)nc(N2CC(N[C@@H]3CCOC3)C2)c1[N+](=O)[O-] 1612979038 JAMDOBHCDFHLKE-SNVBAGLBSA-N 336.348 0.652 5 40 ECBB O=C1NC(=O)[C@@H]2[C@H]1[C@H]1C=CC=NN1[C@H]2C(=O)c1cccc([N+](=O)[O-])c1 103516277 GIMUVRCWIHSISC-FDYHWXHSSA-N 340.295 0.275 5 40 ECBB O=C(Nc1ccc(F)c(N2CCCS2(=O)=O)c1)[C@@H]1C[C@@H]1[N+](=O)[O-] 68147342 OSUNZSDENHKNKP-KOLCDFICSA-N 343.336 0.969 5 40 ECBB O=C(NCc1cccnc1)c1nc(Cn2ccc([N+](=O)[O-])n2)no1 12374821 NMZWYMLNIYPEIH-UHFFFAOYSA-N 329.276 0.548 5 40 ECBB CN1CCN(CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 22913978 KWNJYGXAIXQEPF-UHFFFAOYSA-N 342.421 0.511 5 40 ECBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(CCO)CC1 12869945 CTWLKXXBKITOBD-UHFFFAOYSA-N 329.378 0.202 5 40 ECBB CN1CCN(c2nc(N)c([N+](=O)[O-])c(NC[C@H]3CCCO3)n2)CC1 5025554 OWNQGSLKEXJXIL-SNVBAGLBSA-N 337.384 0.310 5 40 ECBB CS(=O)(=O)N1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 69699058 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COC(=O)c1ccc(O[C@@H](C)C(=O)N2CCNC2=O)c([N+](=O)[O-])c1 9836574 BLZRCMUQXWHFAY-QMMMGPOBSA-N 337.288 0.701 5 40 ECBB Cn1c(=O)c2c(ncn2Cc2ccc(O)c([N+](=O)[O-])c2)n(C)c1=O 1611124 LLWMYLUVPAFKNJ-UHFFFAOYSA-N 331.288 0.096 5 40 ECBB biogenic CNC(=O)c1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cc1 31529398 KTZLGLMEGITLKH-UHFFFAOYSA-N 344.327 0.915 5 40 ECBB CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC(=O)N(C)C 70014089 DGOHQZRDEQSEFA-UHFFFAOYSA-N 338.364 0.952 5 40 ECBB O=[N+]([O-])c1ccc(O)c(N2C(=S)N[C@H]3CS(=O)(=O)C[C@H]32)c1 217414075 ALSJGGVDKFNZDA-IONNQARKSA-N 329.359 0.161 5 40 ECBB C[C@H](CO)N1CCN(c2nc3ccccn3c(=O)c2[N+](=O)[O-])CC1 72272280 GTCPWFCEQAXSOB-LLVKDONJSA-N 333.348 0.106 5 40 ECBB CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](O4)[C@@H]3C2=O)cc1[N+](=O)[O-] 136510820 QMZSVFCQNRPEPJ-LVEBTZEWSA-N 344.279 0.963 5 40 ECBB C[C@@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C(=O)N1CCOCC1 67991469 KVDTVNSZTUGZDG-MRVPVSSYSA-N 343.286 0.850 5 40 ECBB C[C@]12C=C[C@@](CO)(O1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 100377035 MWAWEQPSVBBHFO-BHTHQVBYSA-N 330.296 0.790 5 40 ECBB O=C(NCCCN1CCOCC1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 19798036 SDZVYGFKAVRKEX-UHFFFAOYSA-N 338.320 0.955 5 40 ECBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](O)C[C@H]1C(N)=O 596620313 DLPKHTUAGHJGRO-YPMHNXCESA-N 336.348 0.152 5 40 ECBB Cc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n(N)c1=O 3866210 QLMXIQAQKJUCNV-UHFFFAOYSA-N 336.333 0.300 5 40 ECBB COc1cc(OCC(=O)N2CCC[C@H](C(N)=O)C2)ccc1[N+](=O)[O-] 69698753 YEIVDRSBRWVRSM-JTQLQIEISA-N 337.332 0.706 5 40 ECBB CN(C)C(=O)CN1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 585139885 RUCZDYBZWYPEEN-UHFFFAOYSA-N 327.772 0.853 5 40 ECBB Cn1/c(=N\C(=O)CN2C(=O)CCC2=O)sc2cc([N+](=O)[O-])ccc21 11667323 CLLOGDCUGGMNHB-CCEZHUSRSA-N 348.340 0.724 5 40 ECBB Cc1ccc(S(=O)(=O)N2CCc3c(nnn3C)C2)cc1[N+](=O)[O-] 75093738 XJIJPVKJYIOCFA-UHFFFAOYSA-N 337.361 0.779 5 40 ECBB COC(=O)Cn1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 54040626 NDTJEJBKURYDID-UHFFFAOYSA-N 340.317 0.765 5 40 ECBB C[C@@H]1CCCC[C@H]1NC(=O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O 12760078 JUHHRWYEEBTUTI-BXKDBHETSA-N 336.348 0.550 5 40 ECBB NC(=O)[C@H]1CC(=O)N(CCNc2ccc(Cl)cc2[N+](=O)[O-])C1 45958837 DKYHUNWEYFGOLE-QMMMGPOBSA-N 326.740 0.994 5 40 ECBB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](O4)[C@@H]3C2=O)cc1[N+](=O)[O-] 15228059 QMZSVFCQNRPEPJ-CRWXNKLISA-N 344.279 0.963 5 40 ECBB Cc1ccc(C(=O)OCCN(C)S(=O)(=O)N(C)C)cc1[N+](=O)[O-] 75607278 NRHIYBNOIMVVNO-UHFFFAOYSA-N 345.377 0.798 5 40 ECBB CN1CC[C@@H](NS(=O)(=O)c2cc(F)c(F)cc2[N+](=O)[O-])CC1=O 1615586024 PCWKCSZXEREBET-SSDOTTSWSA-N 349.315 0.772 5 40 ECBB COCCCNC(=O)CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OC 12537341 LTNJRAFYDUGEMM-UHFFFAOYSA-N 339.348 0.970 5 40 ECBB O=C(O)CNS(=O)(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 3887514 QRJVNKHBCYPSLO-UHFFFAOYSA-N 329.334 0.558 5 40 ECBB COC(=O)[C@H](C)OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 16223465 JKRSBHQWOYERJH-ZETCQYMHSA-N 336.256 0.296 5 40 ECBB COc1cc(CCNC(=O)CN(C)C(C)=O)c([N+](=O)[O-])cc1OC 40508615 HQURDVPGJTULMP-UHFFFAOYSA-N 339.348 0.749 5 40 ECBB Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O 36716303 BGOAQRLIMVSLJE-UHFFFAOYSA-N 326.290 0.081 5 40 ECBB COc1cc(-c2nn(CC(=O)O)c(=O)o2)c([N+](=O)[O-])cc1OC 40448112 VMAZEJRPISAKIP-UHFFFAOYSA-N 325.233 0.513 5 40 ECBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cn1ccc(=O)[nH]c1=O 16144186 FRDINFNHVQWSJZ-JTQLQIEISA-N 332.316 0.664 5 40 ECBB Cc1nn(CCC(=O)N[C@@H](C)CN2CCOCC2)c(C)c1[N+](=O)[O-] 22247851 DEVIUNJDNMPKFQ-NSHDSACASA-N 339.396 0.635 5 40 ECBB COC(=O)C(C)(C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 24586450 SVODMRPPOIHCHT-UHFFFAOYSA-N 333.304 0.857 5 40 ECBB CCOC(=O)[C@@H](NS(C)(=O)=O)[C@@H](O)c1ccc([N+](=O)[O-])cc1 5326271 FASRUFVROBYRCC-QWRGUYRKSA-N 332.334 0.109 5 40 ECBB CN(CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O 42310007 OPAKAZXNSMINAX-UHFFFAOYSA-N 330.366 0.998 5 40 ECBB NC(=O)[C@@H]1CC(=O)N(CCNc2ccc([N+](=O)[O-])cc2Cl)C1 45958709 LOUJVNXSUSMORO-MRVPVSSYSA-N 326.740 0.994 5 40 ECBB Cc1ccc(NC(=O)C2CCN(S(N)(=O)=O)CC2)cc1[N+](=O)[O-] 40497580 BDWREDYYSNEJOZ-UHFFFAOYSA-N 342.377 0.757 5 40 ECBB COCCNc1nc(N)c([N+](=O)[O-])c(N2C[C@H](C)O[C@H](C)C2)n1 13768644 WNBYYSSIAGRIFQ-DTORHVGOSA-N 326.357 0.639 5 40 ECBB CCOC(=O)C1=C(COC(=O)c2cccc([N+](=O)[O-])c2)NC(=O)NC1 18321344 UWNXVVQIKOEWDM-UHFFFAOYSA-N 349.299 0.882 5 40 ECBB C[C@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 222323989 DMHZPIRIECTZBP-KOZAUXTDSA-N 330.296 0.790 5 40 ECBB COC(=O)C1CCN(C(=O)COc2cccc([N+](=O)[O-])c2N)CC1 69895221 ZDVWHRDWQNDAAT-UHFFFAOYSA-N 337.332 0.967 5 40 ECBB C[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCOCC1 24682111 QEYKMPXNLSUULK-LLVKDONJSA-N 329.378 0.594 5 40 ECBB COC[C@@H](C)N1CCN(c2nc3ccccn3c(=O)c2[N+](=O)[O-])CC1 69455403 DUFYLXJDZDLZLR-GFCCVEGCSA-N 347.375 0.760 5 40 ECBB CN(CC(C)(CO)CO)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 89895840 ZEPYNJVPHOGKNN-UHFFFAOYSA-N 332.378 0.425 5 40 ECBB C[C@@]12C=C[C@](CO)(O1)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 222324040 DMHZPIRIECTZBP-GUYJKWIASA-N 330.296 0.790 5 40 ECBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)NC1CC1)S(C)(=O)=O 113936797 KJOWYXYKXIFDMM-UHFFFAOYSA-N 343.361 0.648 5 40 ECBB Nc1nc(NCCOCCO)nc(NCc2ccco2)c1[N+](=O)[O-] 9325775 MFILOOKORNEKQX-UHFFFAOYSA-N 338.324 0.593 5 40 ECBB Cn1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc(=O)n(C)c1=O 994810 DRUUAOLPTZJYHP-UHFFFAOYSA-N 338.707 0.898 5 40 ECBB CN(CCCCN(C)C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])C(=O)[C@H]1C[C@@H]1[N+](=O)[O-] 69975476 NDAMTELKKPOQFZ-USZNOCQGSA-N 342.352 0.014 5 40 ECBB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2 4728103 OKOZCONOOMJAQR-JTQLQIEISA-N 330.300 0.466 5 40 ECBB CCN(Cc1c(CO)cnc(C)c1O)C(=O)Cn1cc([N+](=O)[O-])cn1 585088310 UYIJOZHMJOAPPS-UHFFFAOYSA-N 349.347 0.741 5 40 ECBB CN1CCN(C(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)CC1 2781770 KGUFGHSPVFJBQB-UHFFFAOYSA-N 330.348 0.622 5 40 ECBB O=[N+]([O-])c1ccc(N2CCN(C[C@H](O)Cn3cccn3)CC2)cn1 48362373 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CCOC(=O)[C@@H](NS(C)(=O)=O)[C@H](O)c1ccc([N+](=O)[O-])cc1 5326263 FASRUFVROBYRCC-WDEREUQCSA-N 332.334 0.109 5 40 ECBB CCOC(=O)[C@@H](CO)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 95456355 GBKGSSXSDKCLBO-SECBINFHSA-N 342.304 0.266 5 40 ECBB CC1CCN(c2nc(NCCOCCO)nc(N)c2[N+](=O)[O-])CC1 5030050 DOIAMZSTQGBZKF-UHFFFAOYSA-N 340.384 0.624 5 40 ECBB CC(C)CNC(=O)NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 3602254 OIJUZBCXXILWEA-UHFFFAOYSA-N 348.315 0.673 5 40 ECBB CC(C)NC(=O)CN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 25189689 CHNITCYICPFZTH-UHFFFAOYSA-N 348.403 0.806 5 40 ECBB Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O 223284860 DWFFZULLIPGVTN-UHFFFAOYSA-N 340.317 0.389 5 40 ECBB NC(=O)[C@H]1CC(=O)N(CCNc2ccc([N+](=O)[O-])cc2Cl)C1 45958712 LOUJVNXSUSMORO-QMMMGPOBSA-N 326.740 0.994 5 40 ECBB O=c1oc(-c2cccs2)nn1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 96435711 KKQVQJLTSHXTRU-SECBINFHSA-N 337.317 0.731 5 40 ECBB Cc1ccc(S(=O)(=O)N[C@H](C)Cn2cncn2)c([N+](=O)[O-])c1 66579640 PIJPIJJYOKDJHY-SNVBAGLBSA-N 325.350 0.862 5 40 ECBB COc1ccc(NC(=O)N2CCn3c(n[nH]c3=O)C2)cc1[N+](=O)[O-] 97163177 XDOWGWIMHNFCQD-UHFFFAOYSA-N 334.292 0.536 5 40 ECBB O=C(C[C@H]1CCS(=O)(=O)C1)NCCOc1ccc([N+](=O)[O-])cc1 68184969 YAGSOXWGVYNFNI-LLVKDONJSA-N 342.373 0.915 5 40 ECBB Cn1c2c(c(=O)n(C)c1=O)[C@@H]1c3cc([N+](=O)[O-])ccc3OC[C@H]1CO2 5482721 YYQUSDKUHAAYFM-UFBFGSQYSA-N 345.311 0.525 5 40 ECBB Cc1[nH]c(=O)n(C)c(=O)c1CCC(=O)Nc1ncc([N+](=O)[O-])s1 23142040 PKJLWQLFJBSPSI-UHFFFAOYSA-N 339.333 0.318 5 40 ECBB CN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)C1=O 8994575 GVXPGEVVMIGYEA-WBMJQRKESA-N 344.327 0.814 5 40 ECBB O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN(c2cc(F)ncn2)CC1 585087705 JBQVODSIUJGQCS-UHFFFAOYSA-N 335.299 0.069 5 40 ECBB COc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@](CO)(O4)[C@@H]3C2=O)c([N+](=O)[O-])c1 100175125 PMUABOSFLCFYPJ-WFGGJUAMSA-N 346.295 0.409 5 40 ECBB CC(C)=C1N=C2NC(=O)C[C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)N2N1 101772249 NNJCVYDSKWNZRX-LLVKDONJSA-N 344.331 0.849 5 40 ECBB O=C(NCCCCN1C(=O)c2ccccc2C1=O)[C@H]1C[C@H]1[N+](=O)[O-] 71894276 AAURWTVXAWFWCM-QWHCGFSZSA-N 331.328 0.844 5 40 ECBB CN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 4032018 NZHUIQBKFWMJOQ-LLVKDONJSA-N 328.346 0.619 5 40 ECBB O=C(NCCCCN1C(=O)c2ccccc2C1=O)[C@@H]1C[C@@H]1[N+](=O)[O-] 71894273 AAURWTVXAWFWCM-OLZOCXBDSA-N 331.328 0.844 5 40 ECBB O=[N+]([O-])c1cccc(CS(=O)(=O)NCCN2CCOCC2)c1 30852574 BBAJFOWOIKQOHF-UHFFFAOYSA-N 329.378 0.346 5 40 ECBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC(=O)NCc1ccccc1 7778226 YODXSOINBGRRKH-UHFFFAOYSA-N 330.300 0.783 5 40 ECBB O=[N+]([O-])c1ccc(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 32652343 VIZYPAYGPIMXCR-CQSZACIVSA-N 325.390 0.904 5 40 ECBB CCOC(=O)N1CCN(C(=O)[C@H](C)n2cc([N+](=O)[O-])c(C)n2)CC1 72343334 ZSTRDOIKLNBVNR-NSHDSACASA-N 339.352 0.961 5 40 ECBB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3O2)cc1[N+](=O)[O-] 253492628 QMZSVFCQNRPEPJ-AAVRWANBSA-N 344.279 0.963 5 40 ECBB CC(C)NC(=O)CN1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 24586262 FSKGXWDJSGNLTH-UHFFFAOYSA-N 349.391 0.340 5 40 ECBB C[C@]12C=C[C@](CO)(O1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 4818456 MWAWEQPSVBBHFO-CZPYZCIJSA-N 330.296 0.790 5 40 ECBB NC(=O)C(=CNc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(N)=O 1637380 DSMMFRXERNBORU-UHFFFAOYSA-N 333.329 0.985 5 40 ECBB CN1C[C@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C(C)(C)C1 1616038331 GIVSVOLZNMMYLP-LBPRGKRZSA-N 328.394 0.994 5 40 ECBB CS(=O)(=O)CCN1CCN(Cc2ccccc2[N+](=O)[O-])CC1 95973373 SPWBGZDVBLPRIF-UHFFFAOYSA-N 327.406 0.757 5 40 ECBB C[C@H](OC(=O)[C@H]1C[C@@H]1[N+](=O)[O-])C(=O)N1CC(=O)Nc2ccccc21 32933356 KVQSIXMEUJICIZ-AUTRQRHGSA-N 333.300 0.569 5 40 ECBB Cc1nn(C)c(N2CCN(CC(=O)N3CCCC3)CC2)c1[N+](=O)[O-] 47331096 OLLHZDRCPANLCK-UHFFFAOYSA-N 336.396 0.381 5 40 ECBB CCS(=O)(=O)C[C@@]1(c2ccc([N+](=O)[O-])cc2)OC[C@@H](CO)O1 96531806 ZQRUJDBJPRPZMH-CHWSQXEVSA-N 331.346 0.590 5 40 ECBB CNC(=O)[C@@H]1CCC[C@H]1Nc1cc(S(N)(=O)=O)ccc1[N+](=O)[O-] 585092683 JBAGLHUMCWTSED-NXEZZACHSA-N 342.377 0.569 5 40 ECBB O=C(C[C@H]1SC[C@@H](C(=O)O)NC1=O)Nc1cccc([N+](=O)[O-])c1 9288451 UKDBULFYWHKNSB-VHSXEESVSA-N 339.329 0.608 5 40 ECBB CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)NS(C)(=O)=O 71890874 YSRBHLGLLYUHQR-UHFFFAOYSA-N 331.350 0.358 5 40 ECBB N=C(Nc1ccc([N+](=O)[O-])cn1)N1CCN(c2ncccn2)CC1 225238340 NEBLYUPTQITBTG-UHFFFAOYSA-N 328.336 0.949 5 40 ECBB Cc1ccc(OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])n1 7220302 SJAXXWUDLONYIW-SNVBAGLBSA-N 343.361 0.323 5 40 ECBB Cc1ccc2ncn(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)c(=O)c2c1 96435728 RLHDKDBSJOHQPH-LBPRGKRZSA-N 329.316 0.871 5 40 ECBB Cc1cccc(OC[C@H](O)CNC(=O)Cn2cc([N+](=O)[O-])nc2C)c1 68440926 SSZJGNCFKWWSJV-CYBMUJFWSA-N 348.359 0.964 5 40 ECBB COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] 32900133 RVMBUDNMJSDKPE-SNVBAGLBSA-N 344.345 0.930 5 40 ECBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1-n1ccnc1 9154879 IOIXQHFDKLIXNT-UHFFFAOYSA-N 338.345 0.801 5 40 ECBB O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC(C(=O)N2CCOCC2)CC1 9155368 OAMUZVPOYUAROQ-UHFFFAOYSA-N 336.348 0.634 5 40 ECBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3C=C[C@@](CO)(O3)[C@@H]2C1=O 226628452 GAVVTURRVRJOGN-ZWUHOBOKSA-N 330.296 0.709 5 40 ECBB O=C(CN1CCC(O)CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 25399334 BDWXISAHXRVOAG-UHFFFAOYSA-N 348.403 0.700 5 40 ECBB COC(=O)COC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 16206067 WJRQQETWFXSZFF-UHFFFAOYSA-N 330.680 0.694 5 40 ECBB CCOC(=O)CCCNC(=O)COC(=O)c1ccc([N+](=O)[O-])o1 3313975 OXJOHGQXBHYTKN-UHFFFAOYSA-N 328.277 0.804 5 40 ECBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCS(=O)(=O)CC1 47206981 LHVMKLQWQGWSCS-UHFFFAOYSA-N 327.362 0.572 5 40 ECBB CN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 3174335 NZHUIQBKFWMJOQ-NSHDSACASA-N 328.346 0.619 5 40 ECBB CNS(=O)(=O)c1ccc(N[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 12557553 RMNAUZUOMVQRNF-QMMMGPOBSA-N 349.390 0.102 5 40 ECBB C[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1S(C)(=O)=O 9246745 YWSCLABMYGIFBZ-VIFPVBQESA-N 344.349 0.973 5 40 ECBB CCCNC(=O)[C@H](C)Oc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 12775902 OGVDUJQVXIMXLJ-QMMMGPOBSA-N 331.350 0.536 5 40 ECBB COC(=O)c1ccc([N+](=O)[O-])c(N(C)CCc2nccc(O)n2)n1 1615552871 YUQPMCMURPQENT-UHFFFAOYSA-N 333.304 0.951 5 40 ECBB CN1CCN(C(=O)[C@@H]2CCCN(c3ccc([N+](=O)[O-])cn3)C2)CC1 20649855 LINGNFOCAHWGEU-CYBMUJFWSA-N 333.392 0.980 5 40 ECBB O=C1NCCCC[C@H]1NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 84403267 XYOBOXQNYDMQQV-GFCCVEGCSA-N 327.362 0.683 5 40 ECBB O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)NCCCN1CCCC1=O 3345941 FDKSZRAMIXCIRT-UHFFFAOYSA-N 349.343 0.880 5 40 ECBB CCOC(=O)N1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 31671664 GHUVVJCWADHCQD-UHFFFAOYSA-N 338.320 0.057 5 40 ECBB COCCN(CCOC)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 7063778 YWJNBOUTFUCVKE-CQSZACIVSA-N 328.365 0.929 5 40 ECBB CN1CCN(CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 23237242 ZGNKAWXSTPQORR-UHFFFAOYSA-N 328.394 0.121 5 40 ECBB O=C(O)CCN(c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])[N+](=O)[O-] 408842116 LYBUYMQUUCWSEM-UHFFFAOYSA-N 345.180 0.884 5 40 ECBB Cc1cc(S(=O)(=O)NCCN2CCOCC2)cc([N+](=O)[O-])c1C 19619082 LYSZJEJJDJPCAR-UHFFFAOYSA-N 343.405 0.822 5 40 ECBB C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCOCC1 69700434 LDPNDBPOMAIQSD-NSHDSACASA-N 329.378 0.594 5 40 ECBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCS(=O)(=O)C1 32771406 ZKIPPOBNYIUZFQ-JTQLQIEISA-N 348.402 0.616 5 40 ECBB C[C@@H]1CCCC[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O 12760068 JUHHRWYEEBTUTI-SKDRFNHKSA-N 336.348 0.550 5 40 ECBB CCOC(=O)[C@H](NS(C)(=O)=O)[C@@H](O)c1ccc([N+](=O)[O-])cc1 5326004 FASRUFVROBYRCC-MNOVXSKESA-N 332.334 0.109 5 40 ECBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)NC(C)C)S(C)(=O)=O 33617744 LDLVZGJGKPDLNC-UHFFFAOYSA-N 345.377 0.894 5 40 ECBB CN(CC(=O)N1CCc2c1ccc([N+](=O)[O-])c2F)S(C)(=O)=O 585124441 DIJQPLUWPLKGMH-UHFFFAOYSA-N 331.325 0.514 5 40 ECBB Cc1cc(S(=O)(=O)Nc2cc(C(N)=O)n[nH]2)ccc1[N+](=O)[O-] 89591393 HHDLPPILUNQPFE-UHFFFAOYSA-N 325.306 0.526 5 40 ECBB O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)c1 7982990 JQULIWIQUZIGIU-UHFFFAOYSA-N 349.372 0.896 5 40 ECBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H](NCCCO)C(=O)O 5258387 GALBQYZWERDXSS-GFCCVEGCSA-N 325.321 0.657 5 40 ECBB C[C@H]1CN(C(=O)COC(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H](C)O1 4868498 GZCBPCGRCGQXFC-UWVGGRQHSA-N 337.332 0.970 5 40 ECBB O=c1oc2cc(O[C@@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)ccc2c2ccccc12 6623665 XYWYWFCGRDAPEG-KBEGMRNHSA-N 344.319 0.764 5 40 ECBB biogenic COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O 1758256 CCONEFCPIOMISR-VIFPVBQESA-N 326.261 0.651 5 40 ECBB O=C(O)[C@@H](Cc1cnc[nH]1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 16429275 UVIDHWCYONHNTG-LLVKDONJSA-N 340.317 0.292 5 40 ECBB CCNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 34864597 YVYCEQYWQGNPPH-UHFFFAOYSA-N 328.394 0.963 5 40 ECBB NC(=O)[C@@H]1C[C@@H](O)CN1c1ccc([N+](=O)[O-])cc1Br 585117969 KQBJOKMBGMLXKZ-XCBNKYQSSA-N 330.138 0.782 5 40 ECBB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@](CO)(O4)[C@@H]3C2=O)c([N+](=O)[O-])c1 100172091 GYFLGFTWDXAQIG-RSUWNVLCSA-N 330.296 0.709 5 40 ECBB O=[N+]([O-])c1ccc(N2CCN(c3ccc4nnnn4n3)CC2)cn1 25569612 MZSBCWLMMRLZHB-UHFFFAOYSA-N 327.308 0.149 5 40 ECBB CCNC(=O)COC(=O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 3317419 IBOOCECPFHAHPO-UHFFFAOYSA-N 343.723 0.657 5 40 ECBB aggregator C[C@@H](Cn1cncn1)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 69842141 HWRFYODQNTXYPW-JTQLQIEISA-N 325.350 0.694 5 40 ECBB NS(=O)(=O)N1CCCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 71897233 RZPJDDWVZFOVPL-UHFFFAOYSA-N 332.357 0.445 5 40 ECBB O=[N+]([O-])c1cccc(OC[C@H](O)CNCCCN2CCOCC2)c1 7063756 BBYITZPPXHMGTA-OAHLLOKOSA-N 339.392 0.646 5 40 ECBB Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)NCCCN1CCOCC1 19288299 QZNUECZIZNBPFR-UHFFFAOYSA-N 345.787 0.592 5 40 ECBB Cn1c(=O)n(C)c2nc(Cl)c(Cc3ccc([N+](=O)[O-])cc3)n2c1=O 28527022 PEMQKRKINWYUQU-UHFFFAOYSA-N 349.734 0.884 5 40 ECBB C[C@@H]1CCCN(c2nc(N3CCN(C)CC3)nc(N)c2[N+](=O)[O-])C1 5249643 KRFCTMHXLYYXJY-LLVKDONJSA-N 335.412 0.955 5 40 ECBB COc1ccc([N+](=O)[O-])cc1OCC(=O)N1CCC(C(N)=O)CC1 24420922 PTTABURATSXDKW-UHFFFAOYSA-N 337.332 0.706 5 40 ECBB COc1ccc([N+](=O)[O-])cc1OCC(=O)N1CCC[C@@H](C(N)=O)C1 31674014 PUXYJBVXYLPLDQ-SNVBAGLBSA-N 337.332 0.706 5 40 ECBB CC[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1[N+](=O)[O-] 82295 FDYYLUKIFCVSRP-SNVBAGLBSA-N 336.373 0.820 5 40 ECBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(CO)C=C[C@H]2O1 104572305 GAVVTURRVRJOGN-JXFSHQFZSA-N 330.296 0.709 5 40 ECBB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1[N+](=O)[O-])CC(=O)N2 8594205 NUGIQFDFXDWJCO-VIFPVBQESA-N 330.300 0.466 5 40 ECBB C[C@@]1(NC(=O)Nc2cc([N+](=O)[O-])ccc2O)CCS(=O)(=O)C1 20502995 LJQMJEBYJPWNJJ-GFCCVEGCSA-N 329.334 0.999 5 40 ECBB CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 4505338 GWFZMQMMOMSYBT-SNVBAGLBSA-N 334.375 0.402 5 40 ECBB O=[N+]([O-])c1ccc(N2CCN(C[C@H](O)Cn3cccn3)CC2)nc1 69844073 XPKTZQBKNYKQEN-AWEZNQCLSA-N 332.364 0.369 5 40 ECBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1(C(N)=O)CCCC1 71914075 NVQVRSPEIDJEFG-UHFFFAOYSA-N 327.362 0.980 5 40 ECBB CCC[C@H](O)[C@H](CO)Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 596273474 RHTNZRONYOUQLG-ONGXEEELSA-N 333.366 0.176 5 40 ECBB O=C1NC(=O)[C@@H]2[C@H]1[C@H]1C=CC=NN1[C@@H]2C(=O)c1cccc([N+](=O)[O-])c1 103516275 GIMUVRCWIHSISC-LPWJVIDDSA-N 340.295 0.275 5 40 ECBB COC(=O)[C@H](CC(C)C)NC(=O)CNc1c([N+](=O)[O-])c(C)nn1C 95985538 UBGPTXDWDYIVSL-JTQLQIEISA-N 341.368 0.753 5 40 ECBB CN1CCN(C(=O)C2CCN(c3ccc([N+](=O)[O-])cn3)CC2)CC1 20648877 HXGUDXGQMHXYOW-UHFFFAOYSA-N 333.392 0.980 5 40 ECBB C[C@@]12C=C[C@](CO)(O1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 100377041 MWAWEQPSVBBHFO-AVRGHOLYSA-N 330.296 0.790 5 40 ECBB COCCN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 4392139 WRYHACDCWWNZSU-ZDUSSCGKSA-N 342.373 0.871 5 40 ECBB COc1cc([N+](=O)[O-])cnc1N1CCN(CC(=O)N2CCCC2)CC1 585133163 XQEJMMSKUUKUFC-UHFFFAOYSA-N 349.391 0.743 5 40 ECBB CN(C)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 9226760 JBLPQIWLPFVKJM-UHFFFAOYSA-N 328.350 0.540 5 40 ECBB O=C(Nc1ccc(F)c(N2CCCS2(=O)=O)c1)[C@H]1C[C@@H]1[N+](=O)[O-] 68147343 OSUNZSDENHKNKP-ONGXEEELSA-N 343.336 0.969 5 40 ECBB CC(C)NC(=O)c1ccccc1NC(=O)Cn1cnc([N+](=O)[O-])n1 48355106 HSUMPEQLFCUWFK-UHFFFAOYSA-N 332.320 0.963 5 40 ECBB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@](CO)(O4)[C@@H]3C2=O)c([N+](=O)[O-])c1 169617780 GYFLGFTWDXAQIG-ZWUHOBOKSA-N 330.296 0.709 5 40 ECBB O=C(CCn1cncn1)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 69492868 OADFTLLZVGDMII-UHFFFAOYSA-N 331.336 0.320 5 40 ECBB CCOC(=O)CN1CCCN(c2c([N+](=O)[O-])nc(C)n2C)CC1 71904173 DKPKUIZLHOHJHC-UHFFFAOYSA-N 325.369 0.712 5 40 ECBB Cc1n[nH]c(SCC(=O)NCCCN2CCOCC2)c1[N+](=O)[O-] 20137802 GZOQRMZZESNCTB-UHFFFAOYSA-N 343.409 0.557 5 40 ECBB CNC(=O)CN1CCC(NC(=O)c2cccc(C)c2[N+](=O)[O-])CC1 40511042 GFRXTABSFFBYMF-UHFFFAOYSA-N 334.376 0.843 5 40 ECBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCc1ccc2c(c1)OCO2 6120217 JHWYUCDJANNDCM-UHFFFAOYSA-N 331.284 0.802 5 40 ECBB COCCN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 4392141 VCWFTAVUNUDILQ-CYBMUJFWSA-N 342.373 0.871 5 40 ECBB O=C(COc1ccccc1)NCCNC(=O)Cn1ccc([N+](=O)[O-])n1 48374215 ZRJKHMGAPZNMMT-UHFFFAOYSA-N 347.331 0.103 5 40 ECBB Cc1cc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)c(N)c([N+](=O)[O-])c1 72272378 VACDKPWQZHIVIO-VIFPVBQESA-N 327.362 0.650 5 40 ECBB CN(C)CCN(CCOCCO)C(=O)Nc1cccc([N+](=O)[O-])c1 70040479 XMTYDULTTVEYLD-UHFFFAOYSA-N 340.380 0.999 5 40 ECBB O=C(C[C@H]1SC[C@@H](C(=O)O)NC1=O)Nc1ccc([N+](=O)[O-])cc1 13636816 ZPMYFIUAMGYTIJ-VHSXEESVSA-N 339.329 0.608 5 40 ECBB COC(=O)C(C(=O)OC)[C@@H](C[N+](=O)[O-])c1ccc(O)c(OC)c1 2304114 FFTFGIIVDMEPEC-VIFPVBQESA-N 327.289 0.723 5 40 ECBB CN(CCCNC(=O)Nc1ccccc1[N+](=O)[O-])S(C)(=O)=O 31096219 OKCIJZXMCWSKQS-UHFFFAOYSA-N 330.366 0.998 5 40 ECBB COCCNc1nc(N)c([N+](=O)[O-])c(N2C[C@H](C)O[C@@H](C)C2)n1 5177032 WNBYYSSIAGRIFQ-IUCAKERBSA-N 326.357 0.639 5 40 ECBB CCN1CCN(c2nc(NCCOC)nc(N)c2[N+](=O)[O-])CC1 5099928 AXDBGMKOVKMLAN-UHFFFAOYSA-N 325.373 0.167 5 40 ECBB COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)O)cc1[N+](=O)[O-] 11691444 BSKSJSMXQFQQTO-SECBINFHSA-N 330.318 0.841 5 40 ECBB CCN(CC)S(=O)(=O)CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 71883481 KIPCFINVFMQRBH-UHFFFAOYSA-N 344.393 0.578 5 40 ECBB O=C(COc1cccc(OCC(=O)NC2CC2)c1[N+](=O)[O-])NC1CC1 95982871 WUXRQMOQGYONCA-UHFFFAOYSA-N 349.343 0.910 5 40 ECBB CN1CCN(C(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)CC1 21554608 YTIXFYIXLXTLSO-UHFFFAOYSA-N 334.376 0.819 5 40 ECBB CC(C)(C)NC(=O)NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 2644532 FAAMHNBBNLWOHP-UHFFFAOYSA-N 348.315 0.815 5 40 ECBB O=C(c1c[nH]c(=O)[nH]1)N1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 71897108 JIPFOUQGOLITIZ-UHFFFAOYSA-N 349.322 0.708 5 40 ECBB C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1Cc1cc(=O)n(C)c(=O)n1C 75094688 WXEPVCRYLPDFPB-SNVBAGLBSA-N 330.344 0.943 5 40 ECBB C[C@@H](OC(=O)CN1C(=O)CCC1=O)C(=O)Nc1cccc([N+](=O)[O-])c1 24498203 WLXVRTHNLXJEQF-SECBINFHSA-N 349.299 0.614 5 40 ECBB CS(=O)(=O)NC1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 10044522 MYIPHGLYMMMXAQ-UHFFFAOYSA-N 342.377 0.212 5 40 ECBB CC(C)CNC(=O)[C@H](C)Oc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 12760187 YHKPXHWVLSIABF-VIFPVBQESA-N 345.377 0.782 5 40 ECBB CNS(=O)(=O)c1ccc(N2CCNC(=O)C[C@H]2C)c([N+](=O)[O-])c1 71889414 IZVHTILPIXLGCU-SECBINFHSA-N 342.377 0.218 5 40 ECBB O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CCCN(CC(F)(F)F)C1 580795870 CUOUGULRSBWTAP-VIFPVBQESA-N 335.286 0.934 5 40 ECBB CCOC(=O)/C=c1/[nH]c(=O)/c(=C/c2ccc(NC)c([N+](=O)[O-])c2)s1 105739610 VPWGKHBKNSKHIQ-AJDRMPRJSA-N 349.368 0.559 5 40 ECBB CCOC(=O)[C@H](NS(C)(=O)=O)[C@H](O)c1ccc([N+](=O)[O-])cc1 5325993 FASRUFVROBYRCC-GHMZBOCLSA-N 332.334 0.109 5 40 ECBB CCOC(=O)C1=NN[C@@]2(C)C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 4852738 RQLCLNJODMMSBW-MEBBXXQBSA-N 346.299 0.365 5 40 ECBB COc1ccc(NC(=O)CN2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 34864554 RFKBHXDOJHHQCZ-UHFFFAOYSA-N 336.348 0.706 5 40 ECBB COc1cc(OC)nc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)n1 12919612 CPJVVFZTBGOGGO-UHFFFAOYSA-N 335.276 0.202 5 40 ECBB N=C(N)NCCC[C@@H](NSc1ccccc1[N+](=O)[O-])C(=O)O 5772162 AEPJKGYGGNIEOL-MRVPVSSYSA-N 327.366 0.908 5 40 ECBB CC(C)NS(=O)(=O)c1ccc(N[C@@H](C)CC(N)=O)c([N+](=O)[O-])c1 72296140 BJSGJRJVKCGXQB-VIFPVBQESA-N 344.393 0.957 5 40 ECBB O=C(CCn1cc([N+](=O)[O-])cn1)NCc1ccc2[nH]c(=O)[nH]c2c1 97107592 STSNREIMBWRHOI-UHFFFAOYSA-N 330.304 0.667 5 40 ECBB Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(CCO)CC2)cc1F 585115478 BLQIIPALEWVLJG-UHFFFAOYSA-N 347.368 0.341 5 40 ECBB C[C@H]1C[C@@H](O)CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 598903454 NIBVVKCLAMSOOR-GXFFZTMASA-N 336.348 0.946 5 40 ECBB COCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C)c1=N 100919442 WDLRTDZSTQOVBX-UHFFFAOYSA-N 341.371 0.350 5 40 ECBB CCN(C(=O)Cn1nc(C)c([N+](=O)[O-])c1C)[C@H]1CCS(=O)(=O)C1 8986116 FQKDRMWVOMHHQX-NSHDSACASA-N 344.393 0.444 5 40 ECBB O=c1[nH]c(=O)c2ccc3c(=O)n(-c4ccccn4)c(=O)c4ccc1c2c43 227116764 DPNLHYHVJCAQEB-UHFFFAOYSA-N 343.298 0.976 5 40 ECBB CS(=O)(=O)N[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 29205867 UETOQDMXXCLBME-LBPRGKRZSA-N 341.389 0.678 5 40 ECBB CN(C)N(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CS(=O)(=O)C[C@@H]1O 575422341 UXTKBEBHPVOBBS-STQMWFEESA-N 329.378 0.031 5 40 ECBB COC(=O)CCCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 22749677 ZYHKTOQWWKECAV-UHFFFAOYSA-N 337.332 0.784 5 40 ECBB Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 13382181 KLDPSSJBNCHXPJ-UHFFFAOYSA-N 331.306 0.832 5 40 ECBB COc1ccc(NC(=O)CN2CCC(C(N)=O)CC2)c([N+](=O)[O-])c1 6510528 UZHBVYFNPZSACI-UHFFFAOYSA-N 336.348 0.739 5 40 ECBB CN1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 65585697 YKBQOHYCJRBLHE-UHFFFAOYSA-N 343.361 0.302 5 40 ECBB Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H]2C[C@@]21C(N)=O 1615605549 MIXQBZPXKSKOLO-YGRLFVJLSA-N 339.373 0.932 5 40 ECBB NS(=O)(=O)c1cccc(N2CCN(CC3CC3)CC2)c1[N+](=O)[O-] 95997097 PIVMKXDXKXFDIA-UHFFFAOYSA-N 340.405 0.774 5 40 ECBB O=[N+]([O-])c1ccc(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 32652347 VIZYPAYGPIMXCR-AWEZNQCLSA-N 325.390 0.904 5 40 ECBB O=C(C[C@@H]1CCS(=O)(=O)C1)NCCOc1ccc([N+](=O)[O-])cc1 68184967 YAGSOXWGVYNFNI-NSHDSACASA-N 342.373 0.915 5 40 ECBB COCCCNC(=O)c1cc2c(=O)n3ccccc3nc2n(C)c1=N 100919646 FBFCKNFJUHLYBQ-UHFFFAOYSA-N 341.371 0.432 5 40 ECBB Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@]1(C)CCS(=O)(=O)C1 30320918 JJIJZCFAWAOAIJ-LBPRGKRZSA-N 348.402 0.759 5 40 ECBB CN(Cc1ccccc1)C(=O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O 27053082 UDNMVWCSUPNSKK-UHFFFAOYSA-N 344.327 0.514 5 40 ECBB COC(=O)c1ccc(O[C@H](C)C(=O)N2CCNC2=O)c([N+](=O)[O-])c1 9836575 BLZRCMUQXWHFAY-MRVPVSSYSA-N 337.288 0.701 5 40 ECBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3C=C[C@@](CO)(O3)[C@@H]2C1=O 408728184 IWQNSHCJXRSXNL-FOCJUVANSA-N 346.295 0.409 5 40 ECBB C[C@H]1CN(S(=O)(=O)CCNc2ncccc2[N+](=O)[O-])C[C@H](C)O1 32923660 VJXOXAULBPXQJR-QWRGUYRKSA-N 344.393 0.841 5 40 ECBB CCS(=O)(=O)NCCNC(=O)Cc1cccc(F)c1[N+](=O)[O-] 585089537 VFUUAVXHGLAPBQ-UHFFFAOYSA-N 333.341 0.332 5 40 ECBB CN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc([N+](=O)[O-])cc1 71979979 WPZFIRRILZRFIF-CYBMUJFWSA-N 349.343 0.942 5 40 ECBB CCCc1cc(C(=O)N2CCN(c3c([N+](=O)[O-])ncn3C)CC2)[nH]n1 12525619 UVZGKLWERJSVKY-UHFFFAOYSA-N 347.379 0.966 5 40 ECBB O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CCCN(CC(F)(F)F)C1 580795869 CUOUGULRSBWTAP-SECBINFHSA-N 335.286 0.934 5 40 ECBB Cc1c(NC(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)cccc1[N+](=O)[O-] 89540520 IVSXMCHLSXWCKN-SNVBAGLBSA-N 347.331 0.078 5 40 ECBB CCOC(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 16222252 FHTOQJGCSWPULX-UHFFFAOYSA-N 336.256 0.297 5 40 ECBB NS(=O)(=O)c1ccc(NCCCn2ccnc2)c([N+](=O)[O-])c1 5268339 VFGFLUVHYXJUBY-UHFFFAOYSA-N 325.350 0.941 5 40 ECBB COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)NN1CCN(C)CC1 4455691 FAYZAWDJZNVTJO-UHFFFAOYSA-N 337.380 0.562 5 40 ECBB Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O 223284694 AUBPYXBRFHUXHT-UHFFFAOYSA-N 340.317 0.389 5 40 ECBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3C=C[C@@](CO)(O3)[C@@H]2C1=O 226628457 GAVVTURRVRJOGN-QCQGSNGOSA-N 330.296 0.709 5 40 ECBB CC[C@@H](C)[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(=O)OC 40464859 ASQXEHFEGSCLQU-RNCFNFMXSA-N 325.321 0.460 5 40 ECBB C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCCO)C(=O)NC1CC1 12553760 BIAZCSYDRINOLH-VIFPVBQESA-N 337.332 0.823 5 40 ECBB CNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n(CCOC)c1=N 100627889 KTVSJUJWUXEGSB-UHFFFAOYSA-N 341.371 0.443 5 40 ECBB N=C(Nc1ncccc1[N+](=O)[O-])N1CCN(C(=O)[C@@H]2CCCO2)CC1 225244636 SQARLIRLJMPNCG-LBPRGKRZSA-N 348.363 0.660 5 40 ECBB COCCN1CCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 58430478 KXAWPDBBQRWSKO-CYBMUJFWSA-N 343.405 0.984 5 40 ECBB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](O4)[C@@H]3C2=O)cc1[N+](=O)[O-] 100302255 QMZSVFCQNRPEPJ-XUXIUFHCSA-N 344.279 0.963 5 40 ECBB CN1CCN(c2nc(N)c([N+](=O)[O-])c(NCc3ccco3)n2)CC1 5091381 RNQKAYYILLFZNK-UHFFFAOYSA-N 333.352 0.924 5 40 ECBB O=C(NCCCNC(=O)c1ccccc1[N+](=O)[O-])c1cnccn1 9355893 BHYDMVSXSISDFF-UHFFFAOYSA-N 329.316 0.935 5 40 ECBB COc1ccc([N+](=O)[O-])cc1OCC(=O)N1CCC[C@H](C(N)=O)C1 31674018 PUXYJBVXYLPLDQ-JTQLQIEISA-N 337.332 0.706 5 40 ECBB CCN(CC)S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 22195515 WNQZQHDAHQYSHS-UHFFFAOYSA-N 343.409 0.698 5 40 ECBB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3189169 MVMKMIUFQUSEIL-MRVPVSSYSA-N 329.290 0.420 5 40 ECBB CC(C)(C)[C@]1(C)NC(=O)N(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O 278498833 CRUYFWHZSVLEKH-QMTHXVAHSA-N 339.352 0.509 5 40 ECBB Cc1cc(NC(=O)COC(=O)[C@@H]2CCC(=O)N2)c([N+](=O)[O-])cc1C 5838824 CKIXNNLLBYULIX-JTQLQIEISA-N 335.316 0.972 5 40 ECBB NC(=O)C1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 22520866 PVIKNRDKSJYMGW-UHFFFAOYSA-N 327.362 0.622 5 40 ECBB CN(CC(=O)Nc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 7975678 WBHXDEMHDIIUSM-JTQLQIEISA-N 345.352 0.791 5 40 ECBB Cc1nn(CC(=O)NCCN2C(=O)CSC2=O)c(C)c1[N+](=O)[O-] 3443881 VDXRCAILJFCAFK-UHFFFAOYSA-N 341.349 0.220 5 40 ECBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NC[C@@H]1CCCO1 8471771 IWOPJQDADFQVHU-VIFPVBQESA-N 333.300 0.486 5 40 ECBB CNC(=O)[C@H](C)CN(C)c1cc(S(N)(=O)=O)c(C)cc1[N+](=O)[O-] 585118725 ZSBAOCZXFXQMKX-SECBINFHSA-N 344.393 0.369 5 40 ECBB COCCN(CCOC)c1cc(C)nc(-n2cc([N+](=O)[O-])cn2)n1 5251756 HKXRCKAZFPQHHD-UHFFFAOYSA-N 336.352 0.978 5 40 ECBB Cc1cc(C(=O)NC2CCS(=O)(=O)CC2)c(N)c([N+](=O)[O-])c1 104849601 ZHGTYIXWGNOEFV-UHFFFAOYSA-N 327.362 0.792 5 40 ECBB NC(=O)c1cccnc1N1CCC(CNC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC1 78869404 JOVOIDBRAUYGMR-OLZOCXBDSA-N 347.375 0.178 5 40 ECBB Cc1nc([N+](=O)[O-])c(N2CCN(C(=O)Cc3ccccn3)CC2)n1C 195544975 PPXPRLILOKCIAM-UHFFFAOYSA-N 344.375 0.923 5 40 ECBB COc1ccc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 12793071 PGIPQUOXRHLPRY-JTQLQIEISA-N 328.346 0.863 5 40 ECBB O=[N+]([O-])c1ccc(N2C(=S)N[C@@H]3CS(=O)(=O)C[C@@H]32)c(O)c1 217414943 NOUACKDTFSVMSB-APPZFPTMSA-N 329.359 0.161 5 40 ECBB CN(C)C(=O)C(C)(C)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 69615629 ZFRCGCAUSOPJKE-UHFFFAOYSA-N 329.378 0.881 5 40 ECBB CN1CCN(CCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 13668029 CNRKUQANZZSNIK-UHFFFAOYSA-N 342.421 0.511 5 40 ECBB NC1=NC(=O)[C@@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])S1 8653009 BEIOEEYJKRINAY-MRVPVSSYSA-N 339.289 0.788 5 40 ECBB Cc1ccc(Cc2nnn(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)n2)cc1 193426066 YHPHXILPUSWBMK-CQSZACIVSA-N 343.347 0.738 5 40 ECBB COc1ccc(S(=O)(=O)N[C@@H](C)Cn2cncn2)c([N+](=O)[O-])c1 69704185 AXZPPYRANLMSAE-VIFPVBQESA-N 341.349 0.562 5 40 ECBB CN(CCN1CCCS1(=O)=O)c1nc2sccn2c1[N+](=O)[O-] 74774757 DARCLABKFYZTRJ-UHFFFAOYSA-N 345.406 0.776 5 40 ECBB C[C@@]12C=C[C@](CO)(O1)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 100187827 DMHZPIRIECTZBP-AVRGHOLYSA-N 330.296 0.790 5 40 ECBB Cc1nn(C)c(NCCS(=O)(=O)N2CCSCC2)c1[N+](=O)[O-] 70037621 PWAFBXLHSOWWII-UHFFFAOYSA-N 349.438 0.427 5 40 ECBB O=C(O)[C@H](Cc1c[nH]cn1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 4136633 SFHVSASNRLSIDT-JTQLQIEISA-N 330.256 0.610 5 40 ECBB O=C(CCNc1ccc([N+](=O)[O-])cn1)N[C@@H]1CCS(=O)(=O)C1 13733810 WDMCIDNJFMXKOC-SECBINFHSA-N 328.350 0.095 5 40 ECBB O=c1oc2cc(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)ccc2c2ccccc12 6623666 XYWYWFCGRDAPEG-VUNQQRPYSA-N 344.319 0.764 5 40 ECBB biogenic CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 4505340 GWFZMQMMOMSYBT-JTQLQIEISA-N 334.375 0.402 5 40 ECBB Cc1cc(S(=O)(=O)N2CCN(CCO)CC2)c(F)cc1[N+](=O)[O-] 585086214 GFAICSWTVZBMMG-UHFFFAOYSA-N 347.368 0.341 5 40 ECBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@H](N2CCCC2)C1 69950605 XZRIHHSSQCUHQK-ZDUSSCGKSA-N 334.376 0.843 5 40 ECBB O=c1[nH]cnc2cc(N3CCC[C@@H](OCCO)C3)c([N+](=O)[O-])cc12 69968581 XSLFZGRBHXDSOL-SNVBAGLBSA-N 334.332 0.809 5 40 ECBB CCSc1ccc(C(=O)NC(CO)(CO)CO)cc1[N+](=O)[O-] 5953856 PXNNBAYDAPOPRC-UHFFFAOYSA-N 330.362 0.152 5 40 ECBB O=[N+]([O-])c1ccc(N2CCC2)c(S(=O)(=O)N2CCOCC2)c1 12555159 BHUXOOBFDMIGEQ-UHFFFAOYSA-N 327.362 0.826 5 40 ECBB CN(C)c1nccc(N2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)n1 89326975 KOXCUPLFVXYPOF-UHFFFAOYSA-N 346.395 0.470 5 40 ECBB O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1CCCS(=O)(=O)C1 69841237 JFBQARXEPOLIHU-SECBINFHSA-N 334.375 0.450 5 40 ECBB CCn1ncc(NC(=O)CCn2ncc([N+](=O)[O-])c2C)c1C(N)=O 2782347 IQTRCRPFGUBZCJ-UHFFFAOYSA-N 335.324 0.444 5 40 ECBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NC1CC1)S(C)(=O)=O 10365657 OSAOPAGENPZOJJ-UHFFFAOYSA-N 327.362 0.948 5 40 ECBB COC(=O)C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCOCC1 19900301 GKUPZLDKLRWDNQ-CYBMUJFWSA-N 337.332 0.797 5 40 ECBB Nc1nccnc1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 32830100 ZZECNMYQVPYGGN-UHFFFAOYSA-N 329.320 0.324 5 40 ECBB Cn1c(=O)c2c(ncn2Cc2c(F)cccc2[N+](=O)[O-])n(C)c1=O 69770952 MCSRSCUDPRYKBW-UHFFFAOYSA-N 333.279 0.529 5 40 ECBB CN(Cc1cnn(C)c1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 25047665 YYFCMKAGNPRIIU-UHFFFAOYSA-N 331.332 0.717 5 40 ECBB O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3nnnn3C3CC3)C2)nc1 72665092 BRXQZYGIKMLVKZ-SNVBAGLBSA-N 330.352 0.998 5 40 ECBB O=C(NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NN1CCOCC1 161779 QFWBGJYGPYAHEH-UHFFFAOYSA-N 328.712 0.935 5 40 ECBB COc1cc(C(=O)NCCCN2CCN(C)CC2)ccc1[N+](=O)[O-] 78498231 HFAKAFQNYCEWLC-UHFFFAOYSA-N 336.392 0.971 5 40 ECBB O=C(C[C@@H]1SC[C@H](C(=O)O)NC1=O)Nc1ccccc1[N+](=O)[O-] 20635141 JIZUODQYDAUCAD-SCZZXKLOSA-N 339.329 0.608 5 40 ECBB Cn1c(=O)c2c(ncn2CC(=O)c2cccc([N+](=O)[O-])c2)n(C)c1=O 27525332 GRYYGPXTAAWUAD-UHFFFAOYSA-N 343.299 0.225 5 40 ECBB O=c1oc2cc(O[C@@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)ccc2c2ccccc12 33439010 XYWYWFCGRDAPEG-DNMXQMFDSA-N 344.319 0.764 5 40 ECBB biogenic CC(C)(C)NC(=O)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 3309342 JIQIQUSCZSRRHJ-UHFFFAOYSA-N 348.315 0.815 5 40 ECBB Nc1nc(NCCOCCO)nc(N2CCCCCC2)c1[N+](=O)[O-] 4305942 XCOFLNKGTLFVNF-UHFFFAOYSA-N 340.384 0.768 5 40 ECBB CN1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CCC1=O 585098940 UDZQDCXRIKVYKI-UHFFFAOYSA-N 327.362 0.667 5 40 ECBB Nc1nc(NCCOCCO)nc(NCc2ccccc2)c1[N+](=O)[O-] 4306412 RPURUHJQHKEJMD-UHFFFAOYSA-N 348.363 1.000 5 40 ECBB CCN(C(=O)COc1cccnc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 5971219 FLDSLBWEXIIBTM-SNVBAGLBSA-N 343.361 0.404 5 40 ECBB Cc1ccc(S(=O)(=O)N2CCN3C(=O)NC[C@@H]3C2)c([N+](=O)[O-])c1 79044641 LXSQMLDVUNZPBS-SNVBAGLBSA-N 340.361 0.301 5 40 ECBB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)cc1[N+](=O)[O-] 229784769 QMZSVFCQNRPEPJ-MQYQWHSLSA-N 344.279 0.963 5 40 ECBB COc1cc([N+](=O)[O-])ccc1OCC(=O)N1CCN(C(C)=O)CC1 69386357 QDCDJVIRXPNYRW-UHFFFAOYSA-N 337.332 0.673 5 40 ECBB CN(C)C(=O)[C@H]1CSCN1C(=O)COc1ccc([N+](=O)[O-])cc1 66657798 BLIWVDONDPMYNT-GFCCVEGCSA-N 339.373 0.963 5 40 ECBB C[C@@]12C=C[C@](CO)(O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 135726422 LISZCJNACBYSRK-GUYJKWIASA-N 330.296 0.790 5 40 ECBB CC(C)(C)[C@]1(C)NC(=O)N(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O 278498829 CRUYFWHZSVLEKH-IINYFYTJSA-N 339.352 0.509 5 40 ECBB Cn1cnc([N+](=O)[O-])c1NC[C@H]([C@@H]1CCOC1)N1CCOCC1 24204429 WJZRRKBOQUYPFY-VXGBXAGGSA-N 325.369 0.478 5 40 ECBB C=Cn1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)n1 10119628 UKHOLHIPKOXRSQ-UHFFFAOYSA-N 345.319 0.771 5 40 ECBB C[C@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C(=O)N1CCOCC1 67991468 KVDTVNSZTUGZDG-QMMMGPOBSA-N 343.286 0.850 5 40 ECBB COC(=O)c1cc(B(O)OC(C)(C)C(C)(C)O)cc([N+](=O)[O-])c1 200314922 NXQCODIRULQAIT-UHFFFAOYSA-N 325.126 0.635 5 40 ECBB O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1C(CO)(CO)CO 5328311 ZLBLPLSNDQHINN-UHFFFAOYSA-N 346.295 0.060 5 40 ECBB CC1=NN(C(=O)[C@H](C)Cn2cc([N+](=O)[O-])cn2)[C@](O)(C(F)F)C1 6263572 HDXJMXXUVXWZSY-JMCQJSRRSA-N 331.279 0.989 5 40 ECBB O=[N+]([O-])c1ccc(N2CCN(C[C@@H](O)Cn3cccn3)CC2)nc1 69844071 XPKTZQBKNYKQEN-CQSZACIVSA-N 332.364 0.369 5 40 ECBB O=[N+]([O-])c1cccnc1N1CCN([C@H]2CCS(=O)(=O)C2)CC1 17283017 JAIQMAWGDSILKO-NSHDSACASA-N 326.378 0.299 5 40 ECBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CCNC(C)=O 4339673 QAEYLTPDCWHCQT-UHFFFAOYSA-N 339.304 0.611 5 40 ECBB NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 57985470 CKFLAYWWWUSXFE-GFCCVEGCSA-N 349.368 0.970 5 40 ECBB C[C@]1(NCCNCc2ccc([N+](=O)[O-])cc2)CCS(=O)(=O)C1 575421396 QEEQIUXGXHYELU-AWEZNQCLSA-N 327.406 0.851 5 40 ECBB Cn1c(=O)c2[nH]c(COc3ccccc3[N+](=O)[O-])nc2n(C)c1=O 13284955 PZEVAZCBLWMXBK-UHFFFAOYSA-N 331.288 0.448 5 40 ECBB COc1ccc(S(=O)(=O)N(C)CC(=O)N(C)C)cc1[N+](=O)[O-] 8884048 ZPJCAGZIQLWKKJ-UHFFFAOYSA-N 331.350 0.312 5 40 ECBB CC1=C(C(=O)N(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)n2nnnc2N1 35323726 RUWIANTWHCIBNG-GFCCVEGCSA-N 329.320 0.958 5 40 ECBB CS(=O)(=O)N1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 36392285 FWKOGGTUNQCJRO-UHFFFAOYSA-N 327.362 0.749 5 40 ECBB Cc1cccnc1NC(=O)C(=O)NC(=O)c1[nH]nc(C)c1[N+](=O)[O-] 13302094 OYUIVZBITIBYOU-UHFFFAOYSA-N 332.276 0.225 5 40 ECBB Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cnn(CC(N)=O)c2)c1 280862881 BFKLZTTZLLTOTI-UHFFFAOYSA-N 347.331 0.993 5 40 ECBB COC(=O)C(C)(C)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 23152502 XPZPYFKCVYTPEX-UHFFFAOYSA-N 349.299 0.259 5 40 ECBB O=C(Nc1ccc(N2CCOCC2)nc1)c1cc([N+](=O)[O-])c[nH]c1=O 28959225 VMJXZUKOPRVKLV-UHFFFAOYSA-N 345.315 0.767 5 40 ECBB CCOC(=O)C1=NN[C@]2(C)C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 4852740 RQLCLNJODMMSBW-BMIGLBTASA-N 346.299 0.365 5 40 ECBB Nc1nc(S)nc(O)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 8651771 NYEYEVPZXQXXMT-UHFFFAOYSA-N 343.346 0.762 5 40 ECBB N=C(Nc1ncccc1[N+](=O)[O-])N1CCN(C(=O)[C@H]2CCCO2)CC1 253574446 SQARLIRLJMPNCG-GFCCVEGCSA-N 348.363 0.660 5 40 ECBB CC1(C)C2([N+](=O)[O-])CN3CC1([N+](=O)[O-])CN(C2)C3c1ccccn1 19324648 YJXZNHJPEGPZOW-UHFFFAOYSA-N 333.348 0.782 5 40 ECBB CN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1cccc([N+](=O)[O-])c1 71979981 RGENFHBRMRTVOO-CYBMUJFWSA-N 349.343 0.942 5 40 ECBB NC(=O)CN1CCCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 69537069 ZDHLRKHNTDWSPF-VOTSOKGWSA-N 332.360 0.628 5 40 ECBB C[C@H](O)[C@H]1C(=O)N2[C@H]1CC(=O)[C@@H]2C(=O)OCc1ccc([N+](=O)[O-])cc1 44672482 YBIDYTOJOXKBLO-MSRLKIHKSA-N 348.311 0.187 5 40 ECBB CN(C)CCn1ccc2nc3ccn(N(C)C)c(=O)c3cc2c1=O 40398653 MAMDGKGYMABYOH-UHFFFAOYSA-N 327.388 0.471 5 40 ECBB COC(=O)[C@H]1N(C(=O)OC)c2ccc([N+](=O)[O-])cc2S1(=O)=O 12417569 MCTRITRIXRFPGF-VIFPVBQESA-N 330.274 0.454 5 40 ECBB O=c1[nH]n2cc(-n3cc([N+](=O)[O-])cn3)cnc2c1Br 1103308 ISIBVDDMXCRLOX-UHFFFAOYSA-N 325.082 0.879 5 40 ECBB COCCCn1c(=N)c(C(N)=O)cc2c(=O)n3ccccc3nc21 100088637 HHOVLKHPIKVDIP-UHFFFAOYSA-N 327.344 0.264 5 40 ECBB COC(=O)N1CCN(CCNC(=O)c2ccc([N+](=O)[O-])o2)CC1 44227124 HMZNXPQZWFJCMS-UHFFFAOYSA-N 326.309 0.302 5 40 ECBB COC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCO)c1=N 100749137 WDHIUDPEKZRYCA-UHFFFAOYSA-N 328.328 0.216 5 40 ECBB biogenic Cc1nn(CC(=O)O[C@@H](C(=O)NC(N)=O)C(C)C)c(C)c1[N+](=O)[O-] 3428031 UFYXZKFLHPQOCQ-LLVKDONJSA-N 341.324 0.171 5 40 ECBB COc1ccc([C@H](C[N+](=O)[O-])C2C(=O)NC(=O)NC2=O)cc1OC 1448928 INBGGGJSBAKBRD-QMMMGPOBSA-N 337.288 0.046 5 40 ECBB CO[C@@H](C)[C@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@@H](O)[C@H]12)C(C)C 16982999 QSTHEUSPIBEICI-IZQLYZSVSA-N 329.393 0.339 5 40 ECBB O=C(O)CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 1676297 WPAZMIBKHXQHSZ-SECBINFHSA-N 332.290 0.191 5 40 ECBB O=[N+]([O-])c1cc(S(=O)(=O)NCCN2CCOCC2)ccc1Cl 19619018 IUHPWOOFODCLOQ-UHFFFAOYSA-N 349.796 0.859 5 40 ECBB O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCCCn1cccn1 30169490 RWBSWPCQBILPNI-UHFFFAOYSA-N 331.332 0.728 5 40 ECBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(CO)C=C[C@H]2O1 408735158 KPGCRGTYKOASRL-VSBTWAGUSA-N 346.295 0.409 5 40 ECBB CN1CCN(c2nn(-c3ccc([N+](=O)[O-])cc3)nc2C(=O)O)CC1 256048539 UGDVKEGRZFAOIU-UHFFFAOYSA-N 332.320 0.626 5 40 ECBB NC(=O)c1c(NC(=O)Cn2cnc([N+](=O)[O-])n2)sc2c1CCC2 3671826 FNWUDNJDUQONCU-UHFFFAOYSA-N 336.333 0.474 5 40 ECBB CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 3218704 OHHGKNUETCFESD-SECBINFHSA-N 334.375 0.402 5 40 ECBB CNC(=O)c1ccc(Cn2cc(C(=O)OC)cc([N+](=O)[O-])c2=O)cc1 66748129 ZSPOSOABTVNJSC-UHFFFAOYSA-N 345.311 0.951 5 40 ECBB Cc1nn(CC(=O)NCCNC(=O)c2cccnc2)c(C)c1[N+](=O)[O-] 31797321 QOZRRRFHXOLTIZ-UHFFFAOYSA-N 346.347 0.349 5 40 ECBB O=C(Cn1cc([N+](=O)[O-])cn1)NCCc1c[nH]nc1C(F)(F)F 585088305 URAWPYTUWBFZHS-UHFFFAOYSA-N 332.242 0.892 5 40 ECBB C[C@@H](CNc1ncc(Br)cc1[N+](=O)[O-])S(N)(=O)=O 95453356 SSEUDGNXXXBVRC-YFKPBYRVSA-N 339.171 0.841 5 40 ECBB Cc1cc(S(=O)(=O)N2CCN(CCO)CC2)cc([N+](=O)[O-])c1C 12998475 MBGRAAMOMMFQMB-UHFFFAOYSA-N 343.405 0.510 5 40 ECBB COCCn1c(N)c(Sc2ccc([N+](=O)[O-])cc2)c(=O)[nH]c1=O 3262893 HGDNWKPTFDQVEL-UHFFFAOYSA-N 338.345 0.825 5 40 ECBB CC(=O)N[C@@H](CSc1ccc([N+](=O)[O-])cc1)C(=O)NCC(=O)O 2381650 VTYTZXHLNVVKRI-NSHDSACASA-N 341.345 0.392 5 40 ECBB CN1CCN(C)[C@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 95442708 JVRSOESMXUTCLR-OAHLLOKOSA-N 335.408 0.682 5 40 ECBB Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC(=O)NCC(F)F 281079732 VGEPSGHPCKFPGW-UHFFFAOYSA-N 337.304 0.563 5 40 ECBB COc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c1O 408593572 QHVKZTMLWCDWRP-FPYGCLRLSA-N 337.244 0.286 5 40 ECBB O=C(COC(=O)CCN1C(=O)CCC1=O)Nc1ccccc1[N+](=O)[O-] 25124647 MYCMFGZWBIVSFU-UHFFFAOYSA-N 349.299 0.616 5 40 ECBB C[C@@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])S(N)(=O)=O 95453351 XBLILCROZNINPK-ZETCQYMHSA-N 337.379 0.087 5 40 ECBB COC(=O)C(C(=O)OC)[C@H](C[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 16189609 KXHGLPKCSJTILD-SNVBAGLBSA-N 326.261 0.917 5 40 ECBB CCOC(=O)CN(C)C(=O)Cn1cc([N+](=O)[O-])cc(Cl)c1=O 79001593 UVYJVWNKPSQGTO-UHFFFAOYSA-N 331.712 0.431 5 40 ECBB CC(C)(C)[C@@]1(C)NC(=O)N(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O 278498836 CRUYFWHZSVLEKH-YGRLFVJLSA-N 339.352 0.509 5 40 ECBB Cc1cc([N+](=O)[O-])nn1C[C@H](C)C(=O)Nc1cnn(C)c1C(N)=O 2787907 XFGFOIJKZSNVAO-ZETCQYMHSA-N 335.324 0.207 5 40 ECBB O=C(C[C@@H]1SC[C@H](C(=O)O)NC1=O)Nc1cccc([N+](=O)[O-])c1 9288465 UKDBULFYWHKNSB-ZJUUUORDSA-N 339.329 0.608 5 40 ECBB CCNC(=O)[C@@H](C)NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F 585115183 PTSHAFJUCVSWCU-MRVPVSSYSA-N 333.341 0.845 5 40 ECBB Cc1c(CN2CCN(C(=O)c3nn(C)cc3[N+](=O)[O-])CC2)cnn1C 22266701 JRYVMAMIRQDWAB-UHFFFAOYSA-N 347.379 0.328 5 40 ECBB COc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@](CO)(O4)[C@@H]3C2=O)c([N+](=O)[O-])c1 100175122 PMUABOSFLCFYPJ-RSUWNVLCSA-N 346.295 0.409 5 40 ECBB CCNC(=O)CN(CC)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 48332176 RUMXPNRKADNNQW-UHFFFAOYSA-N 329.378 0.883 5 40 ECBB O=C(NCCN1CCOCC1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 23105390 URZCKKIRZBLHAY-UHFFFAOYSA-N 340.311 0.121 5 40 ECBB O=C(O)CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 2045536 WPAZMIBKHXQHSZ-VIFPVBQESA-N 332.290 0.191 5 40 ECBB CCN(CC)CCCn1c(S)nnc1Cn1cnc([N+](=O)[O-])n1 12394153 RYXALYAWNPFOCU-UHFFFAOYSA-N 340.413 0.847 5 40 ECBB O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O 585081592 TXLXDGLAJVMNQM-MJBXVCDLSA-N 338.364 0.570 5 40 ECBB O=C(O)COc1ccc(/C=C\c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1 30840515 HLJNIPMFPFDHFQ-UTCJRWHESA-N 333.256 0.605 5 40 ECBB Cc1cc(C(=O)N[C@@H]2CCN(c3ncc[nH]c3=O)C2)ccc1[N+](=O)[O-] 1615586405 MAJKPBMKIRYCSJ-GFCCVEGCSA-N 343.343 0.995 5 40 ECBB O=C(NCC1CC1)[C@@H]1CSCN1C(=O)Cn1ccc([N+](=O)[O-])n1 65565029 SAGCQRNHCBZMFR-JTQLQIEISA-N 339.377 0.219 5 40 ECBB CN1CCN(C(=O)CS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 25246833 AQWYZTBIXGYQHS-UHFFFAOYSA-N 327.362 0.143 5 40 ECBB CN(C)CCCNc1nc(N)c([N+](=O)[O-])c(NC[C@H]2CCCO2)n1 5176079 MJQVDTRHHUCFCE-SNVBAGLBSA-N 339.400 0.922 5 40 ECBB CN1CCN(C[C@@H](O)CN(C)c2ncc([N+](=O)[O-])cc2Cl)CC1 96412884 OQLKFARANDKJOK-LBPRGKRZSA-N 343.815 0.688 5 40 ECBB Cc1nn(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c(=O)c2ccccc12 89568314 SZPHWSMOYQLPBX-LBPRGKRZSA-N 329.316 0.871 5 40 ECBB CC1=NN(C(=O)[C@H](C)Cn2cc([N+](=O)[O-])cn2)[C@@](O)(C(F)F)C1 6263588 HDXJMXXUVXWZSY-KRTXAFLBSA-N 331.279 0.989 5 40 ECBB CS(=O)(=O)N1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 17744628 PHWPPVUULIMSJV-UHFFFAOYSA-N 328.350 0.704 5 40 ECBB CCOc1ccc(N[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1 3898633 JZIXSJLUBHNHOB-AJVHJNHVSA-N 328.321 0.233 5 40 ECBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)N1CCOCC1 24682137 HIGFNXURPXSMGP-LBPRGKRZSA-N 343.405 0.902 5 40 ECBB Cc1cnc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])s1 71896160 VVSQMNRJNHSWRR-VGMNWLOBSA-N 342.402 0.957 5 40 ECBB NS(=O)(=O)c1cc(N2CCN3CCCC[C@@H]3C2)cc([N+](=O)[O-])c1 89764418 GCVVRMFLNUTDGY-LLVKDONJSA-N 340.405 0.917 5 40 ECBB C[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCOCC1 69700436 LDPNDBPOMAIQSD-LLVKDONJSA-N 329.378 0.594 5 40 ECBB Cn1c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc(=O)n(C)c1=O 484490 FKVMBFFMTANXLA-UHFFFAOYSA-N 338.707 0.898 5 40 ECBB Cc1cc([N+](=O)[O-])nn1C[C@@H](C)C(=O)Nc1cnn(C)c1C(N)=O 2787906 XFGFOIJKZSNVAO-SSDOTTSWSA-N 335.324 0.207 5 40 ECBB O=C(Cn1ncn2cccc2c1=O)N1CCc2cc([N+](=O)[O-])ccc21 97165534 BNOLUWUDIJGXEC-UHFFFAOYSA-N 339.311 0.994 5 40 ECBB C[C@H]1C[C@H](O)CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 598903453 NIBVVKCLAMSOOR-GWCFXTLKSA-N 336.348 0.946 5 40 ECBB COC[C@@H](C)NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 408601467 AAXMQYRRIJXILI-SNVBAGLBSA-N 345.377 0.512 5 40 ECBB C=Cn1nnc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1 10119627 WGYRYQXDCWBFMN-UHFFFAOYSA-N 345.319 0.771 5 40 ECBB COC(=O)[C@@H](C)OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 16223464 JKRSBHQWOYERJH-SSDOTTSWSA-N 336.256 0.296 5 40 ECBB COC(=O)c1ncn(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)n1 72280973 DNOZPOFJYXKVJZ-UHFFFAOYSA-N 331.288 0.562 5 40 ECBB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2 4728104 OKOZCONOOMJAQR-SNVBAGLBSA-N 330.300 0.466 5 40 ECBB Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc2ncn(C)c(=O)c2c1 1011980 BIGHTVJJYZRVOR-UHFFFAOYSA-N 328.288 0.828 5 40 ECBB O=C(NCCCO)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 409050960 FLALHHZWDRLLLL-UHFFFAOYSA-N 335.360 0.946 5 40 ECBB O=C1NC[C@H]2CN(c3c(Br)cncc3[N+](=O)[O-])CCN12 95980573 LHIWIOXCARPAOG-ZETCQYMHSA-N 342.153 0.966 5 40 ECBB COc1cc(OCC(=O)NCCN2CCOCC2)ccc1[N+](=O)[O-] 70777445 WZEFZCXDQVOLQU-UHFFFAOYSA-N 339.348 0.431 5 40 ECBB Cc1cccc2c(=O)n(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)cnc12 96435777 WFJJFVVLFGFGJK-GFCCVEGCSA-N 329.316 0.871 5 40 ECBB Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)CN1CCOCC1 46035621 JAXDXSGMKLPPFE-GFCCVEGCSA-N 343.405 0.902 5 40 ECBB O=c1c(Br)cc([N+](=O)[O-])cn1Cc1nnnn1C1CC1 95416395 NGRUGEONAVUTKG-UHFFFAOYSA-N 341.125 0.889 5 40 ECBB Cc1nnc(CNC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)n1C 598896841 PWNOUSKVRRLCJT-UHFFFAOYSA-N 347.335 0.470 5 40 ECBB C[S@](=O)c1ccc(OCC(=O)N2CCOCC2)c([N+](=O)[O-])c1 4387584 MOCBBIXEOWGVSK-JOCHJYFZSA-N 328.346 0.570 5 40 ECBB O=[N+]([O-])c1ccc(N2C(=S)N[C@H]3CS(=O)(=O)C[C@H]32)c(O)c1 217414743 NOUACKDTFSVMSB-IONNQARKSA-N 329.359 0.161 5 40 ECBB COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)O)cc1[N+](=O)[O-] 11691445 BSKSJSMXQFQQTO-VIFPVBQESA-N 330.318 0.841 5 40 ECBB Cc1ccc(S(=O)(=O)NCCCn2cncn2)cc1[N+](=O)[O-] 32916554 UFONYTQEIMXCJG-UHFFFAOYSA-N 325.350 0.863 5 40 ECBB O=c1c2cnn(-c3ccccc3)c2nnn1Cn1cnc([N+](=O)[O-])c1 89857558 HMHSBHPZKDQPSM-UHFFFAOYSA-N 338.287 0.588 5 40 ECBB CN1CCN(c2nc(NCc3ccco3)nc(N)c2[N+](=O)[O-])CC1 4306013 PQLKLZBORRMNKP-UHFFFAOYSA-N 333.352 0.924 5 40 ECBB CN(C)CCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 13669509 QIXLMDAWYKJAIS-UHFFFAOYSA-N 344.393 0.039 5 40 ECBB Cc1cccc([N+](=O)[O-])c1C(=O)OCc1cc(=O)n(C)c(=O)n1C 45661001 DQNATWIPZHMABH-UHFFFAOYSA-N 333.300 0.658 5 40 ECBB CN1CC[C@H](NS(=O)(=O)c2cc(F)c(F)cc2[N+](=O)[O-])CC1=O 1615586026 PCWKCSZXEREBET-ZETCQYMHSA-N 349.315 0.772 5 40 ECBB N=C(N)NC1=NC(=O)[C@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)S1 20028245 QBYMYKDJFVQQSM-QMMMGPOBSA-N 336.333 0.404 5 40 ECBB NC(=O)c1cc([N+](=O)[O-])cn(C[C@H](O)COCc2ccco2)c1=O 25245178 AVNWUZWSLJLEEF-JTQLQIEISA-N 337.288 0.026 5 40 ECBB C[C@H]1CCCN(c2nc(NCCOCCO)nc(N)c2[N+](=O)[O-])C1 4306228 FSINRBMQLKUIJM-JTQLQIEISA-N 340.384 0.624 5 40 ECBB O=C(CN1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1)N1CCCC1 35336395 KFNWQQMXWRYSQK-UHFFFAOYSA-N 335.364 0.303 5 40 ECBB Nc1nnc(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 20201304 AYFDUKOFPYEGIW-UHFFFAOYSA-N 329.363 0.550 5 40 ECBB O=[N+]([O-])c1ccc(O)c(N2C(=S)N[C@@H]3CS(=O)(=O)C[C@H]32)c1 217414233 ALSJGGVDKFNZDA-VXNVDRBHSA-N 329.359 0.161 5 40 ECBB CC1(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CCC1 585115800 UAYATXPSMJMRSB-UHFFFAOYSA-N 338.349 0.996 5 40 ECBB CS(=O)(=O)NC1CCN(c2ccc([N+](=O)[O-])c(C(=O)O)c2)CC1 12554699 OZNFJTODVMDLGA-UHFFFAOYSA-N 343.361 0.811 5 40 ECBB Cc1c(NCC(=O)N[C@@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] 15319828 RZHYWIPIUZQZKB-SNVBAGLBSA-N 327.362 0.618 5 40 ECBB C[C@H]1CN(C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2N)C[C@H](C)O1 4246163 HWFCCLFSNMADMC-UWVGGRQHSA-N 337.332 0.970 5 40 ECBB CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc([N+](=O)[O-])cc1 27018784 BTSSQQOPDPTMMP-GFCCVEGCSA-N 335.316 0.489 5 40 ECBB O=C(OCC(=O)N1CCNC1=O)c1ccc(Cl)c([N+](=O)[O-])c1 6062183 IYAWPYHSWFCJKZ-UHFFFAOYSA-N 327.680 0.957 5 40 ECBB Cn1cc(C(=O)NCC2CCN(c3c([N+](=O)[O-])ncn3C)CC2)cn1 69535494 QAROFDVASOCKLW-UHFFFAOYSA-N 347.379 0.708 5 40 ECBB Cc1cc(S(=O)(=O)NCCCCC(N)=O)cc([N+](=O)[O-])c1F 95461671 NFCDYJVMONMRBY-UHFFFAOYSA-N 333.341 0.976 5 40 ECBB Cc1nc(N)[nH]c(=O)c1CCCNC(=O)c1ccc([N+](=O)[O-])cc1 17014782 FBPBCOTUXQFUHI-UHFFFAOYSA-N 331.332 0.931 5 40 ECBB CN(C)S(=O)(=O)N1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 48355112 HNVHTILJJDERDY-UHFFFAOYSA-N 342.421 0.561 5 40 ECBB Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)N1CCOCC1 275871 UCEDPJZZMQHSMO-UHFFFAOYSA-N 333.142 0.721 5 40 ECBB CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H](O4)[C@@H]3C2=O)cc1[N+](=O)[O-] 100302253 QMZSVFCQNRPEPJ-XDQVBPFNSA-N 344.279 0.963 5 40 ECBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NCCCO 8147552 VEAQQPYRMSCMNP-UHFFFAOYSA-N 345.377 0.410 5 40 ECBB Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@](CO)(O4)[C@@H]3C2=O)c([N+](=O)[O-])c1 4121643 GYFLGFTWDXAQIG-NFFDBFGFSA-N 330.296 0.709 5 40 ECBB O=C(NCC1CC1)[C@H]1CSCN1C(=O)Cn1ccc([N+](=O)[O-])n1 65565028 SAGCQRNHCBZMFR-SNVBAGLBSA-N 339.377 0.219 5 40 ECBB O=C(Cn1cc([N+](=O)[O-])cn1)NCCN1CCc2ccccc2C1 30317322 SWQDAFSMJPJSGA-UHFFFAOYSA-N 329.360 0.966 5 40 ECBB C[C@@H]1C[C@H](O)CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 598903455 NIBVVKCLAMSOOR-MFKMUULPSA-N 336.348 0.946 5 40 ECBB O=C(CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1)NCC(F)(F)F 26483731 RAPQXPHPGLLMMZ-UHFFFAOYSA-N 347.297 0.790 5 40 ECBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCCS(=O)(=O)C1 69699936 AENLCHAOLLQDFO-SNVBAGLBSA-N 348.402 0.759 5 40 ECBB CCOC(=O)N1CCN(C(=O)Cn2nc(C)c([N+](=O)[O-])c2C)CC1 7785287 KGFHFICGVLEWOA-UHFFFAOYSA-N 339.352 0.709 5 40 ECBB Cn1c(=O)c2ccccc2n2c(Cn3nccc3[N+](=O)[O-])nnc12 58210210 GSEZDGIKMWXDKX-UHFFFAOYSA-N 325.288 0.734 5 40 ECBB Nc1nc(C(=O)NCc2nnc3n2CCCCC3)ccc1[N+](=O)[O-] 95468793 YTOYTKQWUNQBLZ-UHFFFAOYSA-N 331.336 0.820 5 40 ECBB COC(=O)[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 548582470 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CCOc1ccc(N[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]2O)c([N+](=O)[O-])c1 3898631 JZIXSJLUBHNHOB-OSHDJZDNSA-N 328.321 0.233 5 40 ECBB C[C@]12C=C[C@@](CO)(O1)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 100187834 LISZCJNACBYSRK-BHTHQVBYSA-N 330.296 0.790 5 40 ECBB COC(=O)c1cc(F)ccc1Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O 69808616 BHTYQHKJVKMVBL-UHFFFAOYSA-N 349.274 0.829 5 40 ECBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCN(CCO)CC2)ccc1Cl 41092082 OBAGMFMNXJWNAO-UHFFFAOYSA-N 349.796 0.547 5 40 ECBB COCCNC(=O)COC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 3322722 AFQIZUFTWKLESD-UHFFFAOYSA-N 342.304 0.531 5 40 ECBB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(N)=O)cc1[N+](=O)[O-] 7304904 NGRFNJQCHLSCEO-NSHDSACASA-N 327.362 0.932 5 40 ECBB NC(=O)c1nnn2c1sc1c(C(=O)O)nnn1c1ccccc12 3772546 FADOGJBMEYWIMS-UHFFFAOYSA-N 329.301 0.346 5 40 ECBB CN(C)CCCNc1nc(N)c([N+](=O)[O-])c(N2CCN(C)CC2)n1 4306015 MMIYBDDJMCJYAY-UHFFFAOYSA-N 338.416 0.082 5 40 ECBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@](CO)(O3)[C@@H]2C1=O 408735156 KPGCRGTYKOASRL-KBNOKHGBSA-N 346.295 0.409 5 40 ECBB CCS(=O)(=O)C[C@]1(c2cccc([N+](=O)[O-])c2)OC[C@H](CO)O1 96531817 VMTKYQIXVBMLGS-STQMWFEESA-N 331.346 0.590 5 40 ECBB CCc1nn(C)c2[nH]nc(NC(=O)CCn3cc([N+](=O)[O-])cn3)c12 72286140 SLYQTSMXFGGZQF-UHFFFAOYSA-N 332.324 0.992 5 40 ECBB C[C@]1(NC(=O)COC(=O)c2ccc([N+](=O)[O-])o2)CCS(=O)(=O)C1 24458828 UAZWPHWCSYQDLE-LBPRGKRZSA-N 346.317 0.038 5 40 ECBB O=C(NCCCCN1C(=O)c2ccccc2C1=O)[C@@H]1C[C@H]1[N+](=O)[O-] 71894275 AAURWTVXAWFWCM-CHWSQXEVSA-N 331.328 0.844 5 40 ECBB CCn1c(=N)c(C(=O)NCCOC)cc2c(=O)n3ccccc3nc21 100814852 FKLIVHVDBYXCBQ-UHFFFAOYSA-N 341.371 0.525 5 40 ECBB Cc1c(NC(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)cccc1[N+](=O)[O-] 89540521 IVSXMCHLSXWCKN-JTQLQIEISA-N 347.331 0.078 5 40 ECBB CS(=O)(=O)c1ccc(NCCc2nc(N)no2)c([N+](=O)[O-])c1 76061372 XWQMSLVUDVCZPP-UHFFFAOYSA-N 327.322 0.618 5 40 ECBB O=[N+]([O-])c1ccc2nc(N3CCNCC3)c(N3CCNCC3)nc2c1 6222161 MBURRSGRHNXZGN-UHFFFAOYSA-N 343.391 0.357 5 40 ECBB NC(=O)c1ccc(SCC(=O)N2CCC(=O)CC2)c([N+](=O)[O-])c1 6608899 ZQDKFCIZHFHLAL-UHFFFAOYSA-N 337.357 0.977 5 40 ECBB O=C1NC[C@H]2CN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CCN12 75105993 SNYJNOPLXUENOW-LBPRGKRZSA-N 344.331 0.854 5 40 ECBB COCCNC(=O)c1cc2c(=O)n3ccccc3nc2n(C)c1=N 100817171 HIZIEHWZXLVPSL-UHFFFAOYSA-N 327.344 0.042 5 40 ECBB CN1CCN(c2cc(N3CCOCC3)c([N+](=O)[O-])c3nonc23)CC1 4888883 ZYNBGCUSAKBJKB-UHFFFAOYSA-N 348.363 0.719 5 40 ECBB C[C@H](O)CNc1ccc(S(=O)(=O)NCCC(=O)O)cc1[N+](=O)[O-] 9339440 UDMAQCMMDNUCLO-QMMMGPOBSA-N 347.349 0.141 5 40 ECBB O=C(NC[C@@H]1COc2ccccc2O1)c1cc([N+](=O)[O-])c[nH]c1=O 28813028 PVIXUZMIBQYSTB-SNVBAGLBSA-N 331.284 0.853 5 40 ECBB CN(CCCCN(C)C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] 69975472 NDAMTELKKPOQFZ-WYUUTHIRSA-N 342.352 0.014 5 40 ECBB CCOC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)nn(CC(N)=O)c1=O 225965637 CZTZWQKUSQCWRW-UHFFFAOYSA-N 346.299 0.481 5 40 ECBB N=c1c(C(N)=O)cc2c(=O)n3ccccc3nc2n1Cc1cccnc1 100088248 ZSZQRFKQTVDODU-UHFFFAOYSA-N 346.350 0.671 5 40 ECBB CN(C)[C@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C1CC1 65590231 URCLQDKYLAGEJW-CYBMUJFWSA-N 328.394 0.994 5 40 ECBB O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N1CCOCC1)OCCO2 72242362 CKJXPNNYRLDBDJ-UHFFFAOYSA-N 330.318 0.387 5 40 ECBB CCNC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCO)c1=N 16732968 NEQFPGKNNJQPRX-UHFFFAOYSA-N 341.371 0.261 5 40 ECBB COc1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])cc1OC 17635038 HRAMUMHXEDHGOU-QMMMGPOBSA-N 344.345 0.529 5 40 ECBB CCCCN1C[C@@]2([N+](=O)[O-])C(=O)C[C@H]3O[C@H](C)C[C@H]2[C@@]3([N+](=O)[O-])C1 248250355 RZTSBUXVIFQTTD-YXRJLALLSA-N 341.364 0.900 5 40 ECBB CC(=O)N1CCN(CCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 69388576 IRIPSKWBKSPDTQ-QPJJXVBHSA-N 346.387 0.888 5 40 ECBB COC(=O)CCN(Cc1ncc([N+](=O)[O-])n1C)C1CCOCC1 97166034 BGOFMKQGIZHBAM-UHFFFAOYSA-N 326.353 0.872 5 40 ECBB CO[C@H](C)[C@](O)(C(=O)OCC1=CC[N@+]2(C)CC[C@@H](O)[C@H]12)C(C)C 253614744 ATTSKHOTAFAWSP-CNGORYIKSA-N 328.429 0.471 5 40 ECBB biogenic,in-vitro CCOC(=O)Cn1c(=O)nc2n(C)c3cc(C)c(C)cc3nc-2c1=O 1569985941 UTTAUDMKCURTRM-UHFFFAOYSA-N 342.355 0.775 5 40 ECBB COC(=O)c1cccc([N+](=O)[O-])c1NCCCN1CCNC(=O)C1 585092715 KDPHASYVKWEKHX-UHFFFAOYSA-N 336.348 0.615 5 40 ECBB CN1CCN(C(=O)c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)CC1 16189182 XYNVWARMMIIGKV-UHFFFAOYSA-N 347.419 0.734 5 40 ECBB CC(C)NC(=O)CN(C)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 66277089 TUIUJQLMTYBIIS-UHFFFAOYSA-N 337.332 0.963 5 40 ECBB O=[N+]([O-])[C@@H]1[C@H]2C[C@@](O)([C@H]3OC[C@H]2O3)[C@H]([N+](=O)[O-])[C@@H]1c1cccs1 247715383 NBRMGPBDYBCTGR-KPRRFYRBSA-N 342.329 0.628 5 40 ECBB C[C@H]1CN(C(=O)Cn2c(-c3ccc([N+](=O)[O-])cc3)noc2=O)CCO1 69508518 NSHNKDBLXSUNSK-JTQLQIEISA-N 348.315 0.659 5 40 ECBB CCS(=O)(=O)N(C)CCCNc1ccc2ncc([N+](=O)[O-])n2n1 95443276 GVGGMDSUWMZUPJ-UHFFFAOYSA-N 342.381 0.721 5 40 ECBB CC(=O)N1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 3356314 QEOKGEZHIOGODV-UHFFFAOYSA-N 334.332 0.015 5 40 ECBB O=C(NCc1ccncc1)c1nc(Cn2ccc([N+](=O)[O-])n2)no1 12360668 QDIUSQGFWXKSPE-UHFFFAOYSA-N 329.276 0.548 5 40 ECBB C[S@@](=O)c1ccc(OCC(=O)N2CCOCC2)c([N+](=O)[O-])c1 4387583 MOCBBIXEOWGVSK-QFIPXVFZSA-N 328.346 0.570 5 40 ECBB CN/C(=C\[N+](=O)[O-])NCC[S@@](=O)Cc1ccc(C[N+](C)(C)[O-])o1 21981350 LUDYETSZJZHPPA-NWMLYGLHSA-N 346.409 0.487 5 40 ECBB in-vitro COC(=O)CN1C(=O)N/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O 107725558 YQTCREAAJSQFSA-WAPJZHGLSA-N 349.255 0.389 5 40 ECBB Cc1cc(NC(=O)COC(=O)[C@H]2CCC(=O)N2)c([N+](=O)[O-])cc1C 5838842 CKIXNNLLBYULIX-SNVBAGLBSA-N 335.316 0.972 5 40 ECBB O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N(Cc1cccnc1)[C@@H]1CCS(=O)(=O)C1 72235991 SNCQIIGHRPKRRG-UPJWGTAASA-N 339.373 0.263 5 40 ECBB O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCCN1CCOCC1 35623028 DPKJWTYGEYJFCZ-UHFFFAOYSA-N 349.796 0.859 5 40 ECBB O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccco1 24442817 JDGRKRWXPDSMGN-UHFFFAOYSA-N 339.329 0.896 5 40 ECBB CC[C@@H](C)[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(=O)OC 40464861 ASQXEHFEGSCLQU-NOZJJQNGSA-N 325.321 0.460 5 40 ECBB CC[C@@H]1C[C@H]1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] 585115527 FLXCCSGITDZXIN-VXNVDRBHSA-N 338.349 0.852 5 40 ECBB CNC(=O)[C@@H]1CCCN1C(=O)CNc1nc2ccccn2c1[N+](=O)[O-] 69437076 GDJTVWFDPGQYCE-JTQLQIEISA-N 346.347 0.391 5 40 ECBB CCC[C@H](O)[C@@H](CO)Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 596273472 RHTNZRONYOUQLG-KOLCDFICSA-N 333.366 0.176 5 40 ECBB O=C1C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)NC(N2CCOCC2)=N1 17072226 VSODOBQGTPBNBC-LBPRGKRZSA-N 347.331 0.110 5 40 ECBB Cc1nc([N+](=O)[O-])c(S(=O)(=O)CC(N)=O)n1Cc1ccccc1 497192 STEWSPJNLNKNKN-UHFFFAOYSA-N 338.345 0.407 5 40 ECBB O=C(NCCN1CCOCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 31214487 LEBZUQLOWBNSSM-UHFFFAOYSA-N 345.359 0.843 5 40 ECBB NC1=NC(=O)[C@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])S1 8653010 BEIOEEYJKRINAY-QMMMGPOBSA-N 339.289 0.788 5 40 ECBB CCOC(=O)CN1N=N[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]21 409016963 MGGFFBPBDIFPJB-VXGBXAGGSA-N 347.287 0.451 5 40 ECBB CN1N=C(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1=O 5900028 ZAXKBVMXXZKGEM-UHFFFAOYSA-N 345.359 0.852 5 40 ECBB O=[N+]([O-])c1cccc(OC[C@@H](O)CNCCCN2CCOCC2)c1 7063760 BBYITZPPXHMGTA-HNNXBMFYSA-N 339.392 0.646 5 40 ECBB C[C@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])S(N)(=O)=O 95453352 XBLILCROZNINPK-SSDOTTSWSA-N 337.379 0.087 5 40 ECBB C[C@@]12C=C[C@](CO)(O1)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 100187838 LISZCJNACBYSRK-AVRGHOLYSA-N 330.296 0.790 5 40 ECBB C[C@@H]1CN(C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C[C@@H](C)O1 3239969 PRSWJKPOCNARKY-NXEZZACHSA-N 347.327 0.827 5 40 ECBB Cc1nc(N2CCC(C(N)=O)CC2)nc(N2CCCC2)c1[N+](=O)[O-] 36708805 IJSQRAHEJBMMGN-UHFFFAOYSA-N 334.380 0.995 5 40 ECBB C[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)N1CCOC[C@H]1C 71900320 NTBDUNOMZPBNRM-NWDGAFQWSA-N 325.369 0.407 5 40 ECBB Cc1ccc([C@H]2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1[N+](=O)[O-] 20851366 XBLNJIWROKDBBV-SNVBAGLBSA-N 344.327 0.775 5 40 ECBB O=C1NC(=O)C(Cc2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1 6220025 LXIRFYCEHIWVKK-UHFFFAOYSA-N 342.105 0.882 5 40 ECBB Cn1ncc2c(=O)n(CC(=O)Nc3ccc([N+](=O)[O-])cc3)cnc21 14020056 GWXZBTHTOLISSY-UHFFFAOYSA-N 328.288 0.677 5 40 ECBB O=C(CN1CCS(=O)(=O)CC1)OCc1ccccc1[N+](=O)[O-] 45894299 HNWNUYXVKYGGHL-UHFFFAOYSA-N 328.346 0.368 5 40 ECBB CC(=O)[C@H]1[C@@H](c2ccc([N+](=O)[O-])o2)NC(=O)N[C@]1(O)C(F)(F)F 1480277 OQVZRZYLFMNKGQ-QXFUBDJGSA-N 337.210 0.998 5 40 ECBB COc1ccc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 12793066 PGIPQUOXRHLPRY-SNVBAGLBSA-N 328.346 0.863 5 40 ECBB CN1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1CO 585136917 YMJUUCLXVDHSGV-NSHDSACASA-N 342.783 0.795 5 40 ECBB CCC[C@@H](O)[C@@H](CO)Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 596273473 RHTNZRONYOUQLG-MWLCHTKSSA-N 333.366 0.176 5 40 ECBB O=C1C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)NC(N2CCOCC2)=N1 17072227 VSODOBQGTPBNBC-GFCCVEGCSA-N 347.331 0.110 5 40 ECBB COC(=O)c1ccc(OCc2nc(N)nc(N(C)C)n2)c([N+](=O)[O-])c1 9515512 BDGZYGGOIHNTFB-UHFFFAOYSA-N 348.319 0.794 5 40 ECBB Cc1cccc(OC[C@@H](O)CNC(=O)Cn2cc([N+](=O)[O-])nc2C)c1 68440927 SSZJGNCFKWWSJV-ZDUSSCGKSA-N 348.359 0.964 5 40 ECBB C[C@H](Cn1cncn1)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 69842143 HWRFYODQNTXYPW-SNVBAGLBSA-N 325.350 0.694 5 40 ECBB Cc1ccc(S(=O)(=O)NCCN2CCN(C)CC2)cc1[N+](=O)[O-] 23227974 HPQZUIVXMUCHOZ-UHFFFAOYSA-N 342.421 0.429 5 40 ECBB CC(=O)CCn1nc([N+](=O)[O-])nc1-c1nc(Br)n[nH]1 6186098 GWGPIEDLMGIXEO-UHFFFAOYSA-N 330.102 0.713 5 40 ECBB CO[C@H](C)[C@](O)(C(=O)OCC1=CC[N@+]2(C)CC[C@H](O)[C@@H]12)C(C)C 253614746 ATTSKHOTAFAWSP-MAPLJDINSA-N 328.429 0.471 5 40 ECBB biogenic,in-vitro O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CCN(CCO)CC2)c1 12998474 LSXIWICOEMBMLK-UHFFFAOYSA-N 349.796 0.547 5 40 ECBB NC(=O)NCCC[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O 8619418 HOSKVZVRXBCPIW-VIFPVBQESA-N 341.280 0.817 5 40 ECBB C[C@@H](O)CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 6911908 JIEYNNOVRLUDCS-SNVBAGLBSA-N 345.377 0.408 5 40 ECBB CN(C)N(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CS(=O)(=O)C[C@H]1O 575422338 UXTKBEBHPVOBBS-QWHCGFSZSA-N 329.378 0.031 5 40 ECBB Cn1c2c(c(=O)n(C)c1=O)[C@H]1c3cc([N+](=O)[O-])ccc3OC[C@@H]1CO2 5482718 YYQUSDKUHAAYFM-PRHODGIISA-N 345.311 0.525 5 40 ECBB CCOc1ccc(N[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1 3898632 JZIXSJLUBHNHOB-GSFXOHHKSA-N 328.321 0.233 5 40 ECBB COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] 32900132 RVMBUDNMJSDKPE-JTQLQIEISA-N 344.345 0.930 5 40 ECBB CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 8735662 HMZGFHYYZQOLQX-SECBINFHSA-N 343.317 0.762 5 40 ECBB O=C(O)[C@H](Cc1cnc[nH]1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 16429278 UVIDHWCYONHNTG-NSHDSACASA-N 340.317 0.292 5 40 ECBB COC[C@@H]1C[C@H](OC)CN1c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 596226734 RSQFLBNMLSJMCG-QWRGUYRKSA-N 345.377 0.482 5 40 ECBB NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 6321285 VSPBOMXTGRQGSF-UHFFFAOYSA-N 329.334 0.243 5 40 ECBB O=C(NCCCN1CCCC1=O)C(=O)Nc1ccccc1[N+](=O)[O-] 5251426 FJCMFFNMDSMDHY-UHFFFAOYSA-N 334.332 0.662 5 40 ECBB COC(=O)CN1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 96833119 CWWPBOWRPVPEFA-UHFFFAOYSA-N 336.348 0.324 5 40 ECBB Cc1c(CCO)c(=O)n(C)n1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1390534 LHMRMYKCQNYQFF-UHFFFAOYSA-N 341.345 0.175 5 40 ECBB CCOC(=O)C1=C(COC(=O)c2ccccc2[N+](=O)[O-])NC(=O)NC1 18321154 JKFBDPGNYLKAQF-UHFFFAOYSA-N 349.299 0.882 5 40 ECBB CCS(=O)(=O)C[C@]1(c2cccc([N+](=O)[O-])c2)OC[C@@H](CO)O1 96531821 VMTKYQIXVBMLGS-OLZOCXBDSA-N 331.346 0.590 5 40 ECBB C[C@H](CNc1ncc(Br)cc1[N+](=O)[O-])S(N)(=O)=O 95453357 SSEUDGNXXXBVRC-RXMQYKEDSA-N 339.171 0.841 5 40 ECBB Cn1c(=O)[nH]c(=O)c2c1nc1n2CC(c2cccc([N+](=O)[O-])c2)=NN1 33786640 HVRFNWCXPDLYPO-UHFFFAOYSA-N 341.287 0.161 5 40 ECBB CN1CCN(c2nn(-c3ccccc3[N+](=O)[O-])nc2C(=O)O)CC1 256047965 PSFDVPUFGXJPLW-UHFFFAOYSA-N 332.320 0.626 5 40 ECBB Cc1cc(NC(=O)CN(C)C(=O)CCn2cnc([N+](=O)[O-])c2)no1 40493497 RMKXGTMRMHAERP-UHFFFAOYSA-N 336.308 0.575 5 40 ECBB CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 25206621 MFTMVUOAVIWTQI-UHFFFAOYSA-N 348.406 0.221 5 40 ECBB CCN1CCN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 35264057 MLWJNHKPZBMHCY-LBPRGKRZSA-N 334.376 0.877 5 40 ECBB C[C@H](CNc1nc2ccccn2c(=O)c1[N+](=O)[O-])N1CCN(C)CC1 57838129 DARBXTRTWPZBPT-GFCCVEGCSA-N 346.391 0.651 5 40 ECBB C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1Cc1cc(=O)n(C)c(=O)n1C 75094689 WXEPVCRYLPDFPB-JTQLQIEISA-N 330.344 0.943 5 40 ECBB CCN1CCN(CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C(=O)C1=O 46761583 NPQMVUWLLXAQSB-UHFFFAOYSA-N 334.332 0.532 5 40 ECBB COCCN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 4392143 VCWFTAVUNUDILQ-ZDUSSCGKSA-N 342.373 0.871 5 40 ECBB CN(CCCCN(C)C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])C(=O)[C@H]1C[C@H]1[N+](=O)[O-] 69975484 NDAMTELKKPOQFZ-IWDIQUIJSA-N 342.352 0.014 5 40 ECBB CCCNC(=O)[C@@H](C)Oc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 12775897 OGVDUJQVXIMXLJ-MRVPVSSYSA-N 331.350 0.536 5 40 ECBB CC(=O)OCCN(C)[N+](=O)NOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1505839908 RVHWFJCEHOGRRZ-UHFFFAOYSA-N 344.260 0.490 5 40 ECBB COC(=O)C(C(=O)OC)[C@H](C[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 16189621 BLGNOAXVZNTWHF-SNVBAGLBSA-N 326.261 0.917 5 40 ECBB COCCn1nnnc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 19594182 SMNAJKMQDRBALV-UHFFFAOYSA-N 347.379 0.550 5 40 ECBB CCS(=O)(=O)C[C@@]1(c2ccc([N+](=O)[O-])cc2)OC[C@H](CO)O1 96531802 ZQRUJDBJPRPZMH-QWHCGFSZSA-N 331.346 0.590 5 40 ECBB CNC(=O)[C@@]1(C(=O)O)Cc2cc([N+](=O)[O-])ccc2N2CCN(C)C[C@@H]21 5389395 LLYRGLCZNALYTR-CZUORRHYSA-N 348.359 0.088 5 40 ECBB COc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@](CO)(O4)[C@@H]3C2=O)c([N+](=O)[O-])c1 169685319 PMUABOSFLCFYPJ-ZWUHOBOKSA-N 346.295 0.409 5 40 ECBB O=C(NCCc1n[nH]c(=O)[nH]1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 78998186 LDUPKCCNHVLXDG-UHFFFAOYSA-N 345.237 0.998 5 40 ECBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)CC(C)(CO)CO)c1C 95454393 HMLYXRMTLZWMJT-UHFFFAOYSA-N 346.405 0.823 5 40 ECBB O=C(CN1CCS(=O)(=O)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 59851087 AOMRYOJMAZCDPJ-UHFFFAOYSA-N 347.780 0.917 5 40 ECBB Cc1ccccc1-c1nnn(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 193398113 CYQQTCDIAJASRI-GFCCVEGCSA-N 329.320 0.814 5 40 ECBB NC(=O)C1(CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCCC1 72286182 NDYBNBLOAWXXQB-UHFFFAOYSA-N 342.377 0.700 5 40 ECBB CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 3217563 HMZGFHYYZQOLQX-VIFPVBQESA-N 343.317 0.762 5 40 ECBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)S(=O)(=O)N(C)C 578992840 RQXMIODUPUBQNZ-UHFFFAOYSA-N 330.366 0.580 5 40 ECBB CC1=C(C(=O)N(C)C)[C@H](c2cccc([N+](=O)[O-])c2)n2nnnc2N1 35323723 RUWIANTWHCIBNG-LBPRGKRZSA-N 329.320 0.958 5 40 ECBB CNC(=O)COC(=O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 3319206 KJCNATKCIFXQBY-UHFFFAOYSA-N 329.696 0.267 5 40 ECBB C[C@@H](O)[C@@H]1C(=O)N2[C@H]1CC(=O)[C@@H]2C(=O)OCc1ccc([N+](=O)[O-])cc1 39372643 YBIDYTOJOXKBLO-SCLYENHESA-N 348.311 0.187 5 40 ECBB CCOC(=O)CN1N=N[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]21 409016958 MGGFFBPBDIFPJB-NWDGAFQWSA-N 347.287 0.451 5 40 ECBB CS(=O)(=O)N[C@@H]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 29206406 RTCHWQIDVOHTOC-GFCCVEGCSA-N 341.389 0.678 5 40 ECBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN1CCN(C)CC1 23247105 MFALVLRJVCUDOC-UHFFFAOYSA-N 342.421 0.429 5 40 ECBB O=C(C[C@H]1SC[C@@H](C(=O)O)NC1=O)Nc1ccccc1[N+](=O)[O-] 20635144 JIZUODQYDAUCAD-WCBMZHEXSA-N 339.329 0.608 5 40 ECBB COc1ccc(S(=O)(=O)CC(=O)N2CCOCC2)c([N+](=O)[O-])c1 98212089 GIRVQGXSGRRTST-UHFFFAOYSA-N 344.345 0.236 5 40 ECBB Cc1cnc(NC(=O)[C@@H]2CSCN2C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])s1 71896162 VVSQMNRJNHSWRR-CIUDSAMLSA-N 342.402 0.957 5 40 ECBB O=C(NCCCN1CCCC1=O)C(=O)Nc1cccc([N+](=O)[O-])c1 5251546 GBMVQALEYPXUEV-UHFFFAOYSA-N 334.332 0.662 5 40 ECBB Cc1c2nnn(CC(=O)Nc3cccc([N+](=O)[O-])c3)c(=O)c2nn1C 32647300 OHVWEXHRNABTLU-UHFFFAOYSA-N 343.303 0.380 5 40 ECBB Cc1ccc(NC[C@]2(c3nccn3C)NC(=O)NC2=O)c([N+](=O)[O-])c1 1615613811 CMAISGNGTYVCFO-OAHLLOKOSA-N 344.331 0.784 5 40 ECBB Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CCN(S(C)(=O)=O)CC1 40497317 RAKNWLNZUSXJNY-UHFFFAOYSA-N 342.377 0.452 5 40 ECBB O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NC[C@H]1CCCO1 6528388 QSXWQHADPACRES-SNVBAGLBSA-N 333.300 0.486 5 40 ECBB NS(=O)(=O)C[C@@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 95460802 JPEGPZDAFOWNLA-NSHDSACASA-N 328.350 0.880 5 40 ECBB CCOC(=O)c1cc(C(=O)NCc2nnc(O)n2C)cc([N+](=O)[O-])c1 585126257 UIUUFVRRDFNBGM-UHFFFAOYSA-N 349.303 0.536 5 40 ECBB C[C@@H]1CN(S(=O)(=O)CCNc2ccc([N+](=O)[O-])cn2)C[C@@H](C)O1 32923662 ZKJDVLVVDAFPFW-GHMZBOCLSA-N 344.393 0.841 5 40 ECBB CN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc([N+](=O)[O-])cc1 71979978 WPZFIRRILZRFIF-ZDUSSCGKSA-N 349.343 0.942 5 40 ECBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCN2CCOCC2)c1C 32810985 BSORIGBEBHDLJA-UHFFFAOYSA-N 343.405 0.822 5 40 ECBB CN1C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N(C)C2)C(=O)N(C)C1=S 6662422 UIOFQFGJFMCVPJ-UHFFFAOYSA-N 348.384 0.789 5 40 ECBB C[C@@H]1CN(c2nc(N3CCOCC3)nc(N)c2[N+](=O)[O-])C[C@@H](C)O1 5219163 CKTXPKSEMKDNNL-NXEZZACHSA-N 338.368 0.417 5 40 ECBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1-n1cccn1 1615582264 HCHXNLPAKPZAMO-UHFFFAOYSA-N 338.345 0.801 5 40 ECBB COCCNC(=O)Cn1cc(NC(=O)c2cccc([N+](=O)[O-])c2)cn1 72295497 QNTJKOBNJDUMCH-UHFFFAOYSA-N 347.331 0.806 5 40 ECBB C[C@]12C=C[C@](CO)(O1)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 5050805 DMHZPIRIECTZBP-CZPYZCIJSA-N 330.296 0.790 5 40 ECBB C[C@H](O)CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 6648764 KYTSCFXYNMYHRO-JTQLQIEISA-N 345.377 0.408 5 40 ECBB CO[C@H](C)[C@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@@H](O)[C@H]12)C(C)C 34377855 QSTHEUSPIBEICI-LQLHWILNSA-N 329.393 0.339 5 40 ECBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3C=C[C@](CO)(O3)[C@@H]2C1=O 6215985 GAVVTURRVRJOGN-NFFDBFGFSA-N 330.296 0.709 5 40 ECBB CN(C)CC(=O)N1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 69434693 KPGKZQWCLZRIHH-VMPITWQZSA-N 346.387 0.840 5 40 ECBB CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)C[C@H]1COCCO1 1616035807 HPNLKDYPGHJQJP-GFCCVEGCSA-N 330.362 0.772 5 40 ECBB COCCN(CCOC)C[C@H](O)COc1cccc([N+](=O)[O-])c1 7063774 YWJNBOUTFUCVKE-AWEZNQCLSA-N 328.365 0.929 5 40 ECBB COCCNc1nc2nc3ccc(C)cn3c(=O)c2cc1C(N)=O 20059588 NHDBEJHVSRFJEE-UHFFFAOYSA-N 327.344 0.708 5 40 ECBB CCOC(=O)c1ccnc(NCCn2ccc(O)nc2=O)c1[N+](=O)[O-] 1616037703 OZNODSRCPSVEEH-UHFFFAOYSA-N 349.303 0.541 5 40 ECBB CS(=O)(=O)CCNC(=O)CCn1ncc2ccc([N+](=O)[O-])cc21 56880679 OULRWMSOIVBUEY-UHFFFAOYSA-N 340.361 0.495 5 40 ECBB CCn1c(=O)n(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc21 96435714 CLXBGFTXWGZOBH-LBPRGKRZSA-N 331.332 0.989 5 40 ECBB Cc1c(CCO)c(=O)n(C)n1S(=O)(=O)c1ccccc1[N+](=O)[O-] 1393707 QUFVIEXCLYUDCR-UHFFFAOYSA-N 341.345 0.175 5 40 ECBB NC(=O)COc1ccccc1/C=C\c1nc(O)c([N+](=O)[O-])c(O)n1 409338872 PWQCTYKPAFGMBI-WAYWQWQTSA-N 332.272 0.831 5 40 ECBB N=C(N)NC1=NC(=O)[C@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2)S1 20064261 GZSFFKVANRIDQX-QMMMGPOBSA-N 336.333 0.404 5 40 ECBB O=[N+]([O-])c1ccc(N2CCN(C[C@@H](O)Cn3cccn3)CC2)cn1 48362370 PJHPOTMVUYYCAJ-CQSZACIVSA-N 332.364 0.369 5 40 ECBB CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCN(CC(N)=O)CC1 69617945 QVWPIXVZNVGSPA-UHFFFAOYSA-N 336.392 0.985 5 40 ECBB CCS(=O)(=O)C[C@@]1(c2cccc([N+](=O)[O-])c2)OC[C@@H](CO)O1 96531823 VMTKYQIXVBMLGS-CHWSQXEVSA-N 331.346 0.590 5 40 ECBB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@](CO)(O4)[C@@H]3C2=O)c([N+](=O)[O-])c1 100172094 GYFLGFTWDXAQIG-WFGGJUAMSA-N 330.296 0.709 5 40 ECBB Cc1c([N+](=O)[O-])cnn1CCC(=O)NCCCN1CCOCC1 22239240 QYFQGOZTDQDAJU-UHFFFAOYSA-N 325.369 0.328 5 40 ECBB CO[C@@H](C)[C@@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@@H](O)[C@H]12)C(C)C 34377856 QSTHEUSPIBEICI-QNBSSWPYSA-N 329.393 0.339 5 40 ECBB O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2nnnn2CCO)c([N+](=O)[O-])c1 17465817 ZJDCRMICJIXCMT-UHFFFAOYSA-N 340.212 0.134 5 40 ECBB COc1ccc(NC(=O)COC(=O)C2=COCCO2)c([N+](=O)[O-])c1 4871330 SFKBLXLSTYPTCP-UHFFFAOYSA-N 338.272 0.973 5 40 ECBB Cc1ccc(OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])n1 7220306 SJAXXWUDLONYIW-JTQLQIEISA-N 343.361 0.323 5 40 ECBB O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N(Cc1cccnc1)[C@H]1CCS(=O)(=O)C1 72235992 SNCQIIGHRPKRRG-XQQFMLRXSA-N 339.373 0.263 5 40 ECBB CNS(=O)(=O)c1ccc(N[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 12557552 RMNAUZUOMVQRNF-MRVPVSSYSA-N 349.390 0.102 5 40 ECBB 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CN(C)S(=O)(=O)N1CCN(c2nc(Cl)ccc2[N+](=O)[O-])CC1 48264956 CGXUBSLHUWCRJT-UHFFFAOYSA-N 349.800 0.572 5 40 ECBB CS(C)(=O)=NCCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 1616020189 QYCJGMQUUXNJQU-UHFFFAOYSA-N 336.395 0.382 5 40 ECBB CCN(CC)CCNc1nc(N)c([N+](=O)[O-])c(N2CCOCC2)n1 5567998 GZDFLLUWROXGBX-UHFFFAOYSA-N 339.400 0.557 5 40 ECBB CC(=O)c1cn(CCOc2ccccc2[N+](=O)[O-])c(=O)n(C)c1=O 79098597 HVCOYQRFZDLDDW-UHFFFAOYSA-N 333.300 0.737 5 40 ECBB CC(=O)CCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 16520357 JRHDTEGTZLNBKZ-UHFFFAOYSA-N 341.389 0.880 5 40 ECBB CO[C@H](C)[C@](O)(C(=O)OCC1=CC[N+]2(C)CC[C@@H](O)[C@@H]12)C(C)C 32123914 ATTSKHOTAFAWSP-JFFTXXFLSA-N 328.429 0.471 5 40 ECBB CCc1cc(NC[C@@H](O)[C@@H](O)[C@H](O)CO)c([N+](=O)[O-])cc1Cl 4760376 BGVYXPWCTXZJNU-JHJVBQTASA-N 334.756 0.298 5 40 ECBB O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCCNC1=O 69088225 ANDTUNIPQCKLSH-CYBMUJFWSA-N 336.348 0.942 5 40 ECBB CN1C[C@@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C(C)(C)C1 1616038328 GIVSVOLZNMMYLP-GFCCVEGCSA-N 328.394 0.994 5 40 ECBB O=C(c1ccc(=O)[nH]c1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 58158457 FTECWBPWZVLGDN-UHFFFAOYSA-N 329.316 0.641 5 40 ECBB C[C@@H]1CN(S(=O)(=O)CCNc2ncccc2[N+](=O)[O-])C[C@@H](C)O1 32923654 VJXOXAULBPXQJR-GHMZBOCLSA-N 344.393 0.841 5 40 ECBB Cn1c(=O)c2ccccc2n2c(Cn3cnc([N+](=O)[O-])c3)nnc12 12779310 OFEIQRXJHRBBHA-UHFFFAOYSA-N 325.288 0.734 5 40 ECBB COCCn1c(N)c(Sc2ccccc2[N+](=O)[O-])c(=O)[nH]c1=O 3262835 DRWGNUCXSCSECM-UHFFFAOYSA-N 338.345 0.825 5 40 ECBB CCC[C@@H](O)[C@H](CO)Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 596273471 RHTNZRONYOUQLG-GXSJLCMTSA-N 333.366 0.176 5 40 ECBB Cc1cc(C(=O)NCCNC(=O)c2cnccn2)ccc1[N+](=O)[O-] 7871436 NRLKXELKBZXQCI-UHFFFAOYSA-N 329.316 0.853 5 40 ECBB CN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cccc([N+](=O)[O-])c1 71979980 RGENFHBRMRTVOO-ZDUSSCGKSA-N 349.343 0.942 5 40 ECBB CCN(CC)S(=O)(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 24529108 VPSFVKJMPNPDJG-UHFFFAOYSA-N 343.409 0.698 5 40 ECBB CN/C(=C\[N+](=O)[O-])NCC[S@](=O)Cc1ccc(C[N+](C)(C)[O-])o1 21981352 LUDYETSZJZHPPA-IYJBSMEOSA-N 346.409 0.487 5 40 ECBB in-vitro CC(C)(C(=O)N1N=CC[C@@]1(O)C(F)(F)F)n1cc([N+](=O)[O-])cn1 6262522 RCMDBBWPFRNUIT-SNVBAGLBSA-N 335.242 0.995 5 40 ECBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN1CCOCC1 19618938 JYLGONSVELWCRJ-UHFFFAOYSA-N 329.378 0.514 5 40 ECBB CCOC(=O)C(C[N+](=O)[O-])(NC(=O)c1ccccc1)C(=O)OCC 1589152 AICDDJTZHNOGOS-UHFFFAOYSA-N 338.316 0.558 5 40 ECBB CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2cn(C)nc2[N+](=O)[O-])C1 84792550 RIYFBEDNZNMGFN-VIFPVBQESA-N 346.365 0.292 5 40 ECBB NC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 6510169 ZOUJTIVNZZRSJF-AWEZNQCLSA-N 348.359 0.521 5 40 ECBB CC(C)NS(=O)(=O)c1ccc(N[C@H](C)CC(N)=O)c([N+](=O)[O-])c1 72296141 BJSGJRJVKCGXQB-SECBINFHSA-N 344.393 0.957 5 40 ECBB Nc1nc(NCCOCCO)nc(N2CCCCC2)c1[N+](=O)[O-] 5100546 OHKLRTKHIBZOKO-UHFFFAOYSA-N 326.357 0.378 5 40 ECBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)NC(=O)[C@H]2[C@@H]2C=CC=NN21 253487177 GIMUVRCWIHSISC-RVMXOQNASA-N 340.295 0.275 5 40 ECBB CNS(=O)(=O)c1ccc(N2CCS(=O)CC2)c([N+](=O)[O-])c1 69599989 JVMCLLPUTHTLSD-UHFFFAOYSA-N 333.391 0.072 5 40 ECBB C[C@@H](CCO)N(Cc1ccccc1)C(=O)Cn1cnc([N+](=O)[O-])n1 89371305 LOBHDJNWZYSIJU-LBPRGKRZSA-N 333.348 0.986 5 40 ECBB CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 10753145 VUGKNNQVLJTTEO-GFCCVEGCSA-N 327.362 0.836 5 40 ECBB Cc1cc(S(=O)(=O)N2C[C@@H](O)C[C@@H](O)C2)c(C)cc1[N+](=O)[O-] 591325889 NREQYUUOIBLLMY-PHIMTYICSA-N 330.362 0.328 5 40 ECBB C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1S(C)(=O)=O 9246743 YWSCLABMYGIFBZ-SECBINFHSA-N 344.349 0.973 5 40 ECBB Cn1cnc([N+](=O)[O-])c1NC[C@H]([C@H]1CCOC1)N1CCOCC1 24204439 WJZRRKBOQUYPFY-NWDGAFQWSA-N 325.369 0.478 5 40 ECBB CCCN1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 5688420 MEZNBFDLPYOWNV-UHFFFAOYSA-N 328.394 0.774 5 40 ECBB O=[N+]([O-])c1ccc(N2CCN(CCOCCO)CC2)c([N+](=O)[O-])c1 55043994 PCKGDQQDSSOEMM-UHFFFAOYSA-N 340.336 0.634 5 40 ECBB COC(=O)c1n[nH]c(-c2n[nH]c(C(=O)OC)c2[N+](=O)[O-])c1[N+](=O)[O-] 8763900 ZBEHDGJBGCQKFT-UHFFFAOYSA-N 340.208 0.189 5 40 ECBB O=C(NCCc1cn2ccccc2n1)NCCn1cc([N+](=O)[O-])cn1 89878888 SXSKHSOFUHXNOQ-UHFFFAOYSA-N 343.347 0.981 5 40 ECBB COc1ccc([N+](=O)[O-])cc1CN1C(=O)[C@@H]2CCCN2S1(=O)=O 1615586958 HAHFIUDEOOJWNT-NSHDSACASA-N 341.345 0.655 5 40 ECBB CN(C)N(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CS(=O)(=O)C[C@@H]1O 575422335 UXTKBEBHPVOBBS-OLZOCXBDSA-N 329.378 0.031 5 40 ECBB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C 12476641 MEWCOUFEVMLROZ-UHFFFAOYSA-N 340.317 0.389 5 40 ECBB CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 65537355 NMNNZPLXFMAHRR-LBPRGKRZSA-N 349.347 0.453 5 40 ECBB NC(=O)c1ccc(CN2CCN(Cc3ccon3)CC2)c([N+](=O)[O-])c1 72723090 ZFQWHYCGWZYEHV-UHFFFAOYSA-N 345.359 1.000 5 40 ECBB O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCCN1CCc2ccccc21 96468004 GWWRIMNKJOYBDT-UHFFFAOYSA-N 342.355 0.935 5 40 ECBB NC(=O)COc1ccccc1/C=C\c1nc(O)[nH]c(=O)c1[N+](=O)[O-] 32690740 UCHUKJLFMCMRQL-WAYWQWQTSA-N 332.272 0.418 5 40 ECBB CCn1c(=O)n(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc21 96435713 CLXBGFTXWGZOBH-GFCCVEGCSA-N 331.332 0.989 5 40 ECBB O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O 585081589 TXLXDGLAJVMNQM-BFHYXJOUSA-N 338.364 0.570 5 40 ECBB CC[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1[N+](=O)[O-] 82291 FDYYLUKIFCVSRP-JTQLQIEISA-N 336.373 0.820 5 40 ECBB NC(=O)COc1cc(OCC(N)=O)c2c(c1)oc(=O)c1ccccc12 134008 OUSICZQBEHAVMF-UHFFFAOYSA-N 342.307 0.674 5 40 ECBB biogenic CCOC(=O)CN1N=N[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]21 409016951 MGGFFBPBDIFPJB-NEPJUHHUSA-N 347.287 0.451 5 40 ECBB C[C@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 222247251 MWAWEQPSVBBHFO-KOZAUXTDSA-N 330.296 0.790 5 40 ECBB Cn1c([N+](=O)[O-])cnc1CN1CCC(C(=O)Nc2ncccn2)CC1 97103386 OXSWSCFFSHYFMW-UHFFFAOYSA-N 345.363 0.969 5 40 ECBB COc1ccc([C@@H](C[N+](=O)[O-])C2C(=O)NC(=O)NC2=O)cc1OC 1448927 INBGGGJSBAKBRD-MRVPVSSYSA-N 337.288 0.046 5 40 ECBB CCN1CCN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)c(=O)n3C)CC1 10012419 BLHUGBRSBAVNSM-UHFFFAOYSA-N 347.375 0.287 5 40 ECBB CN(C)C(=O)CN1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 36394744 ZKWPSYPZXHPUEM-UHFFFAOYSA-N 336.392 0.679 5 40 ECBB Cn1cnc([N+](=O)[O-])c1NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 24204424 WJZRRKBOQUYPFY-NEPJUHHUSA-N 325.369 0.478 5 40 ECBB Cc1cc(C(=O)NCCN2C(=O)CSC2=O)c(N)c([N+](=O)[O-])c1 72274085 TYTXYIIMIITXMD-UHFFFAOYSA-N 338.345 0.911 5 40 ECBB COC(=O)C(C(=O)OC)[C@@H](C[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 16189619 BLGNOAXVZNTWHF-JTQLQIEISA-N 326.261 0.917 5 40 ECBB Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1(S(C)(=O)=O)CC1 280260290 NUXKDKKUNAINER-UHFFFAOYSA-N 348.402 0.759 5 40 ECBB C[C@@]12C=C[C@](CO)(O1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 222247314 MWAWEQPSVBBHFO-GUYJKWIASA-N 330.296 0.790 5 40 ECBB CS(=O)(=O)N1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 24780015 SMYAOKJYNCCRJC-UHFFFAOYSA-N 343.361 0.408 5 40 ECBB C[C@@H](O)CN1CCN(c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 69663928 NEBWNICFTOQHQJ-LLVKDONJSA-N 343.405 0.501 5 40 ECBB O=C(COC(=O)CN1C(=O)CCC1=O)Nc1ccccc1[N+](=O)[O-] 25134864 XLERWWVIYVNCCB-UHFFFAOYSA-N 335.272 0.226 5 40 ECBB COC(=O)Cn1cnc2c(cnn2-c2ccc([N+](=O)[O-])cc2)c1=O 32801737 HXMFBHMQJVXRHS-UHFFFAOYSA-N 329.272 0.663 5 40 ECBB O=C(C[C@H]1SC[C@H](C(=O)O)NC1=O)Nc1ccccc1[N+](=O)[O-] 20635147 JIZUODQYDAUCAD-PSASIEDQSA-N 339.329 0.608 5 40 ECBB Cn1nnnc1Sc1c(C(=O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 16363694 KQGZFMQVKZSJHZ-UHFFFAOYSA-N 326.250 0.876 5 40 ECBB CC(C)N(CCCNC(=O)c1ccc([N+](=O)[O-])o1)S(C)(=O)=O 47042632 KEIVKGNFKCMLQA-UHFFFAOYSA-N 333.366 0.978 5 40 ECBB CCNC(=O)CN(C)S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] 40554309 MYWQZYVIUZZGLC-UHFFFAOYSA-N 331.350 0.360 5 40 ECBB CN(CC(=O)Nc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 7975673 WBHXDEMHDIIUSM-SNVBAGLBSA-N 345.352 0.791 5 40 ECBB NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN2CCCC[C@@H]2C1 95395448 OEDVHSSHJJNOTL-GFCCVEGCSA-N 340.405 0.917 5 40 ECBB COc1cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])cc1OC 17635035 HRAMUMHXEDHGOU-MRVPVSSYSA-N 344.345 0.529 5 40 ECBB O=C(OCCn1cncn1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 67484333 VUHCPPFVHLYZAR-UHFFFAOYSA-N 329.276 0.624 5 40 ECBB Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CCCS(=O)(=O)C1 69738618 SHYDLRORMMPDDR-SNVBAGLBSA-N 348.402 0.759 5 40 ECBB COC(=O)Cn1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 390835147 DPZNLLIBTRMFDO-UHFFFAOYSA-N 340.317 0.765 5 40 ECBB O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCN(c2ccccn2)CC1 16494665 YJEWWVBLHUVURR-UHFFFAOYSA-N 329.316 0.641 5 40 ECBB CC(C)OC(=O)C1=NN[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 101363267 QOJWPAGWJUVIRS-WDEREUQCSA-N 346.299 0.364 5 40 ECBB O=C(COc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCS(=O)(=O)C1 3606474 UDSWYTIUFKGPGL-MRVPVSSYSA-N 348.764 0.930 5 40 ECBB CCCC(=O)NCC(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C 72275863 ZCCAVGQJESOTQO-UHFFFAOYSA-N 343.361 0.624 5 40 ECBB O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCCN2CCOCC2)c1 19619036 PFVLZMIGUSEHBA-UHFFFAOYSA-N 349.796 0.859 5 40 ECBB NS(=O)(=O)c1ccc(NCCCc2nc(O)n[nH]2)cc1[N+](=O)[O-] 596144442 GGQOBQFFDKDXRX-UHFFFAOYSA-N 342.337 0.111 5 40 ECBB O=C(CCn1cc(Br)cn1)Nn1cc([N+](=O)[O-])cn1 6413863 QBNUUWAFZQYZIV-UHFFFAOYSA-N 329.114 0.911 5 40 ECBB O=C(NCCN1CCOCC1)c1cc2cc([N+](=O)[O-])ccc2oc1=O 20192934 WWXLONXPIRKIEZ-UHFFFAOYSA-N 347.327 0.763 5 40 ECBB CC(C)OC(=O)C1=NN[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 100671523 QOJWPAGWJUVIRS-QWRGUYRKSA-N 346.299 0.364 5 40 ECBB CNCCCN[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(=O)O 5258399 AKDZWIIMFADRBZ-CYBMUJFWSA-N 338.364 0.884 5 40 ECBB O=C(NCCN1CCOCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 65401489 FYEXDQMQYZIAOB-UHFFFAOYSA-N 345.359 0.843 5 40 ECBB O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC[C@@H]1[C@H]1CCCC[C@H]1O 585081591 TXLXDGLAJVMNQM-MGPQQGTHSA-N 338.364 0.570 5 40 ECBB COc1cc([N+](=O)[O-])ccc1NC(=O)CNC1(CO)CCOCC1 69737345 LSVQFTBZZWDUCQ-UHFFFAOYSA-N 339.348 0.673 5 40 ECBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)NC(=O)[C@H]2[C@H]2C=CC=NN12 253487179 GIMUVRCWIHSISC-XQHKEYJVSA-N 340.295 0.275 5 40 ECBB CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 5445282 OHHGKNUETCFESD-VIFPVBQESA-N 334.375 0.402 5 40 ECBB O=c1ccc([N+](=O)[O-])cn1CCn1c(-c2ccccn2)noc1=O 95446253 FFUGYZBTCYYEIP-UHFFFAOYSA-N 329.272 0.668 5 40 ECBB N=C(N)NCCC[C@H](NSc1ccccc1[N+](=O)[O-])C(=O)O 2379267 AEPJKGYGGNIEOL-QMMMGPOBSA-N 327.366 0.908 5 40 ECBB O=C1NC(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C(=O)N1 18068616 HOYAUWJKRNIHDR-GFCCVEGCSA-N 344.327 0.862 5 40 ECBB CCNc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 31611937 WDAWIRZEUVZSCQ-JTQLQIEISA-N 327.362 0.944 5 40 ECBB CN(CC(=O)NCC(=O)N1CCOCC1)c1ccccc1[N+](=O)[O-] 95463800 POTNNEVMBUUHPE-UHFFFAOYSA-N 336.348 0.006 5 40 ECBB CCNS(=O)(=O)CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl 71899706 HYODJLRONAFVNV-UHFFFAOYSA-N 335.769 0.917 5 40 ECBB O=C(O)CCC(=O)Nc1ccc2nc3c(=O)[nH]c(O)nc3nc2c1 13957338 YMBOHZNYNRVVFN-UHFFFAOYSA-N 329.272 0.375 5 40 ECBB CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 3893196 OJOWCRAFSGGULL-SNVBAGLBSA-N 334.375 0.402 5 40 ECBB 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0.196 5 40 ECBB C[C@]12C=C[C@](CO)(O1)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 5050532 LISZCJNACBYSRK-CZPYZCIJSA-N 330.296 0.790 5 40 ECBB C[C@@H]1CN(c2nc(N)c([N+](=O)[O-])c(N3CCOCC3)n2)C[C@@H](C)O1 4306442 ADFPGGBMTFDYOE-NXEZZACHSA-N 338.368 0.417 5 40 ECBB CS(=O)(=O)c1ccc(C(=O)O[C@H]2CCOC2=O)cc1[N+](=O)[O-] 2664509 HHWVIDZNGFRYPT-VIFPVBQESA-N 329.286 0.471 5 40 ECBB O=c1[nH]c(=O)c2ccc3c(=O)n(CCCCO)c(=O)c4ccc1c2c43 227116825 ZAWSTVRXFAYAAC-UHFFFAOYSA-N 338.319 0.365 5 40 ECBB Cc1n[nH]c([C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C(C)C)n1 75144779 VCSISEWOEAWMHQ-ZDUSSCGKSA-N 334.336 0.697 5 40 ECBB COC(=O)c1nn2cc(-n3cc([N+](=O)[O-])cn3)cnc2c1[N+](=O)[O-] 3095085 XQLVKLJGKCFHEO-UHFFFAOYSA-N 333.220 0.518 5 40 ECBB COCCNC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 10331732 JIQMKIFCJACWQE-UHFFFAOYSA-N 345.377 0.432 5 40 ECBB Cc1cn(CCS(C)(=O)=O)c(=O)n1-c1ccccc1[N+](=O)[O-] 69373098 BWXBYASMQIHCKX-UHFFFAOYSA-N 325.346 0.900 5 40 ECBB Cc1cc(C(=O)N[C@H]2CCN(c3ncc[nH]c3=O)C2)ccc1[N+](=O)[O-] 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