smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=[N+]([O-])c1cc([C@H]2C3=C(O)CCCC3=Nc3ccnn32)ccc1Cl 100788562 LWBSELWXKKHESG-INIZCTEOSA-N 344.758 4.116 5 1 EIBF CC[C@H]1OCCC[C@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 586910704 JLEKQUFUGBCSCJ-IUODEOHRSA-N 332.407 4.332 5 1 EIBF Cc1cc2[nH]c([C@@H](C)Oc3ccc(F)c(F)c3)nc2cc1[N+](=O)[O-] 587149909 IRIAAMROKUKRHY-SECBINFHSA-N 333.294 4.198 5 1 EIBF CC[C@@H](Oc1ccccc1)C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279598 NCHHEVKNPXJMNE-MRXNPFEDSA-N 325.320 4.381 5 1 EIBF NCCCCN(CCCCN)Cc1c2ccccc2cc2ccccc12 13585473 HBVRJJRVJBMIAV-UHFFFAOYSA-N 349.522 4.273 5 1 EIBF COc1cc(-c2oc3c(ccc4ccccc43)c(=O)c2O)ccc1O 73388642 BXHIJVUCWWLTHU-UHFFFAOYSA-N 334.327 4.033 5 1 EIBF O=[N+]([O-])c1cc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2cc1F 587150784 FFVITNQULOFVTG-IUCAKERBSA-N 333.269 4.160 5 1 EIBF O=[N+]([O-])c1c(Nc2ccc(Cl)c(Cl)c2)ccc2nonc12 6526283 PVQSVWLZGINSSA-UHFFFAOYSA-N 325.111 4.181 5 1 EIBF O=[N+]([O-])c1ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2c1 587078945 DLNTYIVEBCWDPT-UHFFFAOYSA-N 326.743 4.128 5 1 EIBF C[C@@H](c1nc2ccc(Oc3ccccc3)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587275648 FKAVYJCORKKWTD-LBPRGKRZSA-N 349.350 4.069 5 1 EIBF COc1ccc(Cn2c3ccccc3c(=O)c3ccccc32)cc1F 1772629959 SRHYIKLKGQHKFS-UHFFFAOYSA-N 333.362 4.351 5 1 EIBF CCSC[C@](C)(O)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2o1 28820638 YEGRJMHBPLSRAG-ZDUSSCGKSA-N 349.330 4.320 5 1 EIBF C[C@@]1(c2cccc([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 587513881 VAHUHTROWAYNBW-FQEVSTJZSA-N 337.375 4.354 5 1 EIBF CCO[C@H](C)c1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2N)cc1 587647583 JIYFJWMSAMGTOK-LLVKDONJSA-N 325.368 4.423 5 1 EIBF C[C@H](C(=O)O)c1c(-c2ccccc2F)[nH]c2cccc([N+](=O)[O-])c12 587646009 QDKWWIWYFJPISL-VIFPVBQESA-N 328.299 4.070 5 1 EIBF O=c1c2ccccc2oc2c1c(O)cc1oc(-c3ccc(O)cc3)nc12 1857751246 RXUIBSSXJYTISN-UHFFFAOYSA-N 345.310 4.166 5 1 EIBF C[N+]1(C)CCC[C@H]1[C@H]1CSC(c2ccccc2)(c2ccccc2)O1 35274587 AFLBGAQHDSOPKA-VQTJNVASSA-N 340.512 4.259 5 1 EIBF O=C(c1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])ccc12)C(F)(F)F 587644676 AFOIQUQASBEVPS-UHFFFAOYSA-N 334.253 4.488 5 1 EIBF COc1cccc(Sc2cc(O)nc3c([N+](=O)[O-])cccc23)c1 299862466 JRLOETLBASHKQN-UHFFFAOYSA-N 328.349 4.008 5 1 EIBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(F)c(F)cc3[nH]2)c1F 587139624 MLCKAAMDOHYCBS-UHFFFAOYSA-N 327.649 4.209 5 1 EIBF CCOC(=O)c1c(-c2ccccc2F)[nH]c2cccc([N+](=O)[O-])c12 587645559 CGPJLHQBWXVFFR-UHFFFAOYSA-N 328.299 4.059 5 1 EIBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1[C@@H]1CCCN1C(=O)OC(C)(C)C 587648346 DLAWXLVQCJCAHX-ZDUSSCGKSA-N 345.399 4.457 5 1 EIBF CCN(CC)CCN=c1c2ccccc2n(C)c2c1oc1ccccc12 377811536 PNNPCGFJIPSYCC-UHFFFAOYSA-N 347.462 4.320 5 1 EIBF C[N+](C)(C)C[C@@H]1COC[C@H](c2ccc(Sc3ccccc3)cc2)O1 1911578130 SSDALIWKSYHGQX-YLJYHZDGSA-N 344.500 4.001 5 1 EIBF O=[N+]([O-])c1ccc(-n2c(O)c3c(c2O)[C@@H]2C=C[C@@H]3C2)c2ccccc12 169718608 MGERBMNVFTYJJP-GHMZBOCLSA-N 334.331 4.091 5 1 EIBF COc1ccc2nc3cc(Cl)ccc3c(N=c3cc[nH]cc3)c2n1 1772592877 XXVVDRVJHNLQMY-UHFFFAOYSA-N 336.782 4.006 5 1 EIBF CN(C)c1c([N+](=O)[O-])cc2c(c1[N+](=O)[O-])CCCC21CCCCC1 103192117 YLIITUOHNNAYPR-UHFFFAOYSA-N 333.388 4.107 5 1 EIBF O=[N+]([O-])c1cncc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c12 587047693 ANKPRCXSZVSUCC-SFYZADRCSA-N 349.177 4.444 5 1 EIBF O=[N+]([O-])c1cncc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c12 587047694 ANKPRCXSZVSUCC-YUMQZZPRSA-N 349.177 4.444 5 1 EIBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3c(F)cnc(Cl)c3[nH]2)c1F 587138907 BCFQNQRISLCZOR-UHFFFAOYSA-N 345.092 4.118 5 1 EIBF COc1cc(-c2c(C)[nH]c3cccc(F)c23)c([N+](=O)[O-])cc1OC 587636362 YIUWEVJNRPLPPJ-UHFFFAOYSA-N 330.315 4.208 5 1 EIBF O=[N+]([O-])c1ccc(O[C@H](CCn2ccnc2)c2ccccc2)c(F)c1 45388386 AKYPHKQTWWMBEB-QGZVFWFLSA-N 341.342 4.141 5 1 EIBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cccc(C(C)(C)C)c2[nH]1 587268339 RYSQMNJRWSIOBO-UHFFFAOYSA-N 341.415 4.137 5 1 EIBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(C)c(C)c3[nH]2)c1 587262659 VVHLAMSRKDEPBM-UHFFFAOYSA-N 325.368 4.018 5 1 EIBF CCCc1c(O)ccc2c1O[C@H](c1ccc(C)c([N+](=O)[O-])c1)CC2=O 587473611 YOJFWYAFMLFNSC-SFHVURJKSA-N 341.363 4.268 5 1 EIBF C[N+](C)(C)C[C@@H]1CO[C@H](c2ccc(Sc3ccccc3)cc2)CO1 1911572499 WXGLQWLONQSHMW-XLIONFOSSA-N 344.500 4.001 5 1 EIBF COc1cc(-c2nc3cc(Cl)cc(C)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587261229 ZMLWRNCIZHJCEQ-UHFFFAOYSA-N 347.758 4.117 5 1 EIBF CC(=O)c1ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 587048347 SYBQORCDFRKYMV-CLTKARDFSA-N 341.754 4.498 5 1 EIBF O=C(c1ccnc(Cl)c1Cl)c1coc2cc([N+](=O)[O-])ccc12 587280160 LTJKTPMVYJYKJO-UHFFFAOYSA-N 337.118 4.274 5 1 EIBF CCN(CC)CCOc1ccc2c(=O)c3cc(Cl)ccc3[nH]c2c1 1857606170 NJJBEDBJCBUOCR-UHFFFAOYSA-N 344.842 4.055 5 1 EIBF COc1cc2[nH]c3ccccc3c(=O)c2cc1OCc1ccccc1 84651994 RDZHLFGXOXXSLN-UHFFFAOYSA-N 331.371 4.269 5 1 EIBF Cc1ccc([N+](=O)[O-])c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587507332 BUTIEXDMBTWOOO-LJQANCHMSA-N 337.375 4.489 5 1 EIBF COc1c2c(c3c(ccc4cnc5ccccc5c43)c1OC)OCO2 238752462 KRWXVXSRGMGYHY-UHFFFAOYSA-N 333.343 4.287 5 1 EIBF C[C@@H](C(=O)O)c1c(-c2ccccc2F)[nH]c2cc([N+](=O)[O-])ccc12 587645876 NFAMALHGNJFPBF-SECBINFHSA-N 328.299 4.070 5 1 EIBF Cc1ccc(-c2cc(NCC3CCCCC3)ncn2)cc1[N+](=O)[O-] 82162334 LNRPIZGRLBXOHQ-UHFFFAOYSA-N 326.400 4.352 5 1 EIBF COc1cc(OCc2nc3cc(Cl)cc(C)c3[nH]2)ccc1[N+](=O)[O-] 587263086 KYPYAFNQCSSNPK-UHFFFAOYSA-N 347.758 4.021 5 1 EIBF C[C@@]1(c2cc(F)ccc2[N+](=O)[O-])c2c(F)cccc2C[C@@H]2CCCN21 963109879 QFNFENCMNDRIRT-IFXJQAMLSA-N 344.361 4.157 5 1 EIBF COc1cc2c3c(cc4ccccc4c3c1OC)N(CC1CC1)C2=O 40876835 IUOOJKOPRAJRIP-UHFFFAOYSA-N 333.387 4.380 5 1 EIBF Brc1cc(Br)c2nc3ccccc3nc2c1 72109883 PAOXQESFUFUCPV-UHFFFAOYSA-N 338.002 4.308 5 1 EIBF Cn1c2ccccc2c(=O)c2ccc(-c3ccc4c(c3)OCO4)cc21 15934046 BIFRWFUEBRJBSK-UHFFFAOYSA-N 329.355 4.087 5 3 EIBF CCN1CCN(c2nc3ccccc3c3c2oc2ccccc23)CC1 13742135 ZLZCBCAPHFZRQJ-UHFFFAOYSA-N 331.419 4.276 5 1 EIBF Cc1cc2[nH]c(C[C@H](N)c3cccc4ccccc34)nc2cc1[N+](=O)[O-] 587258749 RUKMXJFPSKOVAV-INIZCTEOSA-N 346.390 4.175 5 1 EIBF COc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(F)F)cc1 587646571 VLZJOUPLIIYGOK-UHFFFAOYSA-N 346.289 4.200 5 1 EIBF Cn1nc(OCc2ccc3ccccc3c2)c2cc([N+](=O)[O-])ccc21 95575326 GFPNEWURVLCMTL-UHFFFAOYSA-N 333.347 4.214 5 1 EIBF O=[N+]([O-])c1cccc(CCc2nc3ccc(Br)cc3[nH]2)c1 587270440 OZSHTWJMAQHTOK-UHFFFAOYSA-N 346.184 4.019 5 1 EIBF Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C=CC1(CCCC1)O3 6494599 JIMTTZYAJQGBRG-UHFFFAOYSA-N 333.387 4.116 5 1 EIBF O=[N+]([O-])c1ccc2c(c1)nc1n2[C@H](c2c(F)cccc2F)SC1 13222672 XFSVWDXHQYTGIA-HNNXBMFYSA-N 333.319 4.016 5 1 EIBF O=C(O)Cc1ccccc1Oc1c([N+](=O)[O-])ccc(Cl)c1Cl 26390127 VARHJCYVDWPRSR-UHFFFAOYSA-N 342.134 4.321 5 1 EIBF Cc1cc2[nH]c([C@H]3Cc4cc(Cl)ccc4O3)nc2cc1[N+](=O)[O-] 587081493 XOSIKBQPQNXLJV-OAHLLOKOSA-N 329.743 4.109 5 1 EIBF CN(C)CCNc1nc2c3ccc(O)cc3ccc2c2ccccc12 13600436 JLRRZOYMICHZBO-UHFFFAOYSA-N 331.419 4.220 5 1 EIBF Cc1cc(C)c2c(=O)c3ccccc3n(CCCN3CCCC3)c2c1 103275059 JQMVVELTAKJVQI-UHFFFAOYSA-N 334.463 4.257 5 1 EIBF CC1(C)CN(C(=O)c2cccc(F)c2)c2cc([N+](=O)[O-])ccc2S1 27195051 JMYGGAAKUBYRMK-UHFFFAOYSA-N 346.383 4.265 5 1 EIBF O=C1C[C@H](c2cccc([N+](=O)[O-])c2F)Oc2c1ccc1c2CCCC1 587507991 WYMVXXVHNHZMBC-QGZVFWFLSA-N 341.338 4.319 5 1 EIBF COc1cc(CCN(C)C)c2ccc3c(OC)cccc3c2c1OC 15216306 BRVAMLXEJGKDSX-UHFFFAOYSA-N 339.435 4.123 5 1 EIBF biogenic Cc1cc(N(C)Cc2nc3ccc(C)c(C)c3[nH]2)c([N+](=O)[O-])cc1F 587136891 KRMHTWVLAIVKJG-UHFFFAOYSA-N 342.374 4.172 5 1 EIBF C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587195831 ODKPUYMYKIHQSX-JTQLQIEISA-N 344.802 4.342 5 1 EIBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(Cl)cc(F)c3[nH]2)c1 587262137 NOFFAEOKVHLIQW-UHFFFAOYSA-N 349.749 4.194 5 1 EIBF CCc1ccc(C(=O)CCc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1 587957136 QPYULDDTMHYCQC-UHFFFAOYSA-N 337.379 4.157 5 1 EIBF C[C@@H]1CCCCN1Cc1nc2ccccc2c2nc3ccccc3n12 31848143 WHFINNHQJGPGNW-OAHLLOKOSA-N 330.435 4.410 5 1 EIBF COc1cc2c(cc1[N+](=O)[O-])-c1nc3cccc4c3c(c1CC2)CC4 587211114 MABHEMBVWFLZFW-UHFFFAOYSA-N 332.359 4.016 5 1 EIBF O=[N+]([O-])c1ccc(Cl)cc1[C@H]1SCc2nc3ccccc3n21 12942708 MVWZAKQZPDBCEA-OAHLLOKOSA-N 331.784 4.392 5 1 EIBF O=[N+]([O-])c1cncc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c12 587047691 ANKPRCXSZVSUCC-HTQZYQBOSA-N 349.177 4.444 5 1 EIBF Cc1ccccc1C(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1 428469 GHXOFLMUCNLOIO-UHFFFAOYSA-N 344.370 4.210 5 1 EIBF Cc1[nH]cnc1Cn1ccc2c3ccccc3c3ccccc3c2c1=O 26982066 QAMIUVOOKKIDTJ-UHFFFAOYSA-N 339.398 4.388 5 1 EIBF O=C(O)c1cccc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc12 587266159 WEYDNQVHCZIRJY-UHFFFAOYSA-N 349.302 4.096 5 1 EIBF O=C(Nc1cc(O)cc(Cc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 1857654152 ZKNVIKZLEBKLSQ-UHFFFAOYSA-N 348.358 4.144 5 1 EIBF Cc1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2C)c2ccccc2n1 71335278 GNCUOCQTIHSTJG-UHFFFAOYSA-N 336.351 4.404 5 1 EIBF Cc1cc2[nH]c(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)nc2c(C)n1 587270367 NBEVZZFCDPGJFM-UHFFFAOYSA-N 345.362 4.212 5 1 EIBF COc1ccc2[nH]c3c(C)c4ccnc(NCCCCN)c4cc3c2c1 6069482 HPYCAZXBOZKZRJ-UHFFFAOYSA-N 348.450 4.337 5 1 EIBF O=[N+]([O-])c1c(Br)cccc1-c1c[nH]cc1Br 13449803 QLBSUDRSMMIZHU-UHFFFAOYSA-N 345.978 4.115 5 1 EIBF biogenic O=[N+]([O-])c1ccc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2c1 586895151 RFXZYNQJSAONNY-UHFFFAOYSA-N 345.358 4.297 5 1 EIBF O=C(c1cc(F)c(F)c(F)c1F)c1coc2cc([N+](=O)[O-])ccc12 587280557 ZYCGYBCKUGKUMU-UHFFFAOYSA-N 339.200 4.128 5 1 EIBF Cc1cc(Cl)cc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c12 587152262 YTOAZTDHULSXSA-UHFFFAOYSA-N 335.722 4.151 5 1 EIBF COc1ccc(CCn2c3ccccc3c(=O)c3c(O)cccc32)cc1 64559660 KBZNNHCFHVBPCF-UHFFFAOYSA-N 345.398 4.112 5 1 EIBF O=[N+]([O-])c1cccc2[nH]c(-c3ccc(Br)cc3)c(O)c12 587643849 JUSLQXBYFPGCSM-UHFFFAOYSA-N 333.141 4.211 5 1 EIBF Nc1ccc2nc3c4ccccc4/c(=N/c4ccncc4)cc-3oc2c1 169331631 BKTTXGRARKKJNK-HKOYGPOVSA-N 338.370 4.295 5 1 EIBF CCc1cc(-c2cc3c4c(cccc4n2)CC3)c(OC)c([N+](=O)[O-])c1 587211018 JVYUDXJDZZZKBN-UHFFFAOYSA-N 334.375 4.480 5 1 EIBF CC[C@H]1CCc2c(c(=O)oc3c2cc(OC)c2cccc(OC)c23)C1 5849886 JMHCSLMTGSUWIO-LBPRGKRZSA-N 338.403 4.478 5 1 EIBF Cc1[nH]c2ccc(F)c(Cl)c2c1C(=O)Nc1ccc([N+](=O)[O-])cc1 587630930 FFUCMCISOVOYJL-UHFFFAOYSA-N 347.733 4.429 5 1 EIBF O=C(O)c1[nH]c2cc(Cl)c(F)cc2c1-c1ccccc1[N+](=O)[O-] 587631434 MDGILPGBQWCZJN-UHFFFAOYSA-N 334.690 4.234 5 1 EIBF Cc1c(F)cccc1-c1cc(-c2nc3cnncc3[nH]2)cc([N+](=O)[O-])c1 587137266 WRFIINDUIYUTEL-UHFFFAOYSA-N 349.325 4.043 5 1 EIBF O=C(OCCc1c[nH]c2ccccc12)c1ccc(Cl)c([N+](=O)[O-])c1 98084805 RCQXAYFQJXDOPL-UHFFFAOYSA-N 344.754 4.129 5 1 EIBF CCCN(CCC)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(F)(F)F 58583252 HVEVBIXFNBWEFW-UHFFFAOYSA-N 335.282 4.148 5 1 EIBF CCOC(=O)[C@@H](CCCc1cccc([N+](=O)[O-])c1)c1ccccc1 71316795 JTBZYHMGUVXRFD-SFHVURJKSA-N 327.380 4.264 5 1 EIBF CCCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCc1ccc(F)cc1 49582963 IFNOTXRHMQUEBH-UHFFFAOYSA-N 344.386 4.105 5 1 EIBF O=[N+]([O-])c1cccc2[nH]c(-c3ccc(F)cc3)c(-c3ccncn3)c12 587645661 GRLCOECDAHFNPX-UHFFFAOYSA-N 334.310 4.339 5 1 EIBF CCCCn1c(=O)c2ccccc2c2cc(C(=O)N3CCCC3)ccc21 1772614602 XVALWEVGGJNGDB-UHFFFAOYSA-N 348.446 4.191 5 1 EIBF Cc1[nH]c2cc(Cl)c(F)cc2c1C(=O)Nc1cccc([N+](=O)[O-])c1 587631026 FRUQINAJIMTDOI-UHFFFAOYSA-N 347.733 4.429 5 1 EIBF O=[N+]([O-])c1ccc([C@H]2Nc3cccnc3[C@H]3c4ccccc4C[C@@H]23)cc1 653726581 MOWZGGNHVJHRIB-YZGWKJHDSA-N 343.386 4.461 5 1 EIBF Cc1nc(C)c(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)s1 587010703 AHWLDMGFQSIYRU-UHFFFAOYSA-N 345.431 4.323 5 1 EIBF O=[N+]([O-])c1cc2nc(-c3cccc(C(F)(F)F)c3)[nH]c2cc1F 587111401 BWUCVAYLSXRZOG-UHFFFAOYSA-N 325.221 4.296 5 1 EIBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Cl)c([N+](=O)[O-])c1)O2 587376137 QEGOVMMPJNRHTK-KRWDZBQOSA-N 346.770 4.019 5 1 EIBF CCOc1cc(-c2cccc(F)c2)nn1-c1cccc([N+](=O)[O-])c1C 587871893 PECAURXUTRRLBV-UHFFFAOYSA-N 341.342 4.294 5 1 EIBF COc1ccc(C[C@@H]2c3cccc(Cl)c3CC[N+]2(C)C)cc1OC 13648615 QXLBOXZJSUKEDU-GOSISDBHSA-N 346.878 4.274 5 1 EIBF Cc1ccc(-c2cc(NCCc3ccccc3)ncn2)cc1[N+](=O)[O-] 82162142 ROCKVFCPXMKOEX-UHFFFAOYSA-N 334.379 4.015 5 1 EIBF CC(C)Oc1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1 587278922 AYTUEDCFGXESQD-UHFFFAOYSA-N 325.320 4.359 5 1 EIBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(Cl)cccc1[N+](=O)[O-])O2 587377578 XBEWVJBRZOWYEZ-KRWDZBQOSA-N 346.770 4.019 5 1 EIBF CCO[P@@](=O)(NC(C)C)Oc1ccc2ccccc2c1[N+](=O)[O-] 72123378 RRQQXUNSYMFZJI-QHCPKHFHSA-N 338.300 4.269 5 1 EIBF O=[N+]([O-])c1cc(F)cc(-c2nc3cccc(Br)c3[nH]2)c1 587160435 ROQLMKHKSQTYBK-UHFFFAOYSA-N 336.120 4.040 5 1 EIBF CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1C)CC2=O 587472519 IZPLMZAPNUODNU-GOSISDBHSA-N 341.363 4.268 5 1 EIBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc3ccccc3cc2[nH]1 587159556 RPWOJZUPCVWZPT-UHFFFAOYSA-N 337.310 4.342 5 1 EIBF O=C1C[C@@H](c2cnc3c(ccc4ccccc43)c2)[C@@H](c2ccco2)N1 206035906 PJBRLJMAHULFQX-UWJYYQICSA-N 328.371 4.326 5 3 EIBF O=[N+]([O-])c1cncc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c12 587955851 RHFJPHQZOAVSRE-MRXNPFEDSA-N 344.374 4.241 5 1 EIBF CCN(CC)CCOc1nc2ccccc2c2nc3ccccc3nc12 1772651550 HFHYFHPUEDAFIS-UHFFFAOYSA-N 346.434 4.052 5 1 EIBF NC(=O)c1cccc2c1nc(Nc1ccccc1Cl)c1ccncc12 73163822 CZXVLEKLKBMPNR-UHFFFAOYSA-N 348.793 4.279 5 1 EIBF COc1cc2c3c(c4ccc(O)cc4c2cc1OC)C[C@@H]1CCCN1C3 72122803 DSYIHAGYTDJTNX-ZDUSSCGKSA-N 349.430 4.236 5 1 EIBF O=[N+]([O-])c1ccc(C2=NC(=S)N[C@H](c3cccc(Cl)c3)C2)cc1 103162700 PIMNZZOCHFRFFB-HNNXBMFYSA-N 345.811 4.057 5 1 EIBF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1 586893442 ZAZBVYSFEMXSPY-QLJPJBMISA-N 345.786 4.270 5 1 EIBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1c([N+](=O)[O-])ccc(F)c1F 587645761 JNGYMVSMAIZTQY-UHFFFAOYSA-N 333.250 4.238 5 1 EIBF CCOC(=O)c1c(-c2ccc(F)cc2F)[nH]c2cc([N+](=O)[O-])ccc12 587646112 TXRFCERRIUCLNZ-UHFFFAOYSA-N 346.289 4.198 5 1 EIBF C[C@H]1N[C@H](c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2NC1=S 29125390 GIJVFXLLTGATJD-RFAUZJTJSA-N 347.827 4.069 5 1 EIBF Cc1c2ccnc(NCCCN(C)C)c2c(C)c2c1[nH]c1ccncc12 29489052 WZKJBRQGAGGPNN-UHFFFAOYSA-N 347.466 4.245 5 1 EIBF O=[N+]([O-])c1cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2cc1F 587950394 LEZQIDZQZASZMN-UHFFFAOYSA-N 345.374 4.096 5 1 EIBF O=C(c1ccccc1)n1c(-c2ccccc2[N+](=O)[O-])nc2ccccc21 40846811 XVRSZSDNOPDMJY-UHFFFAOYSA-N 343.342 4.300 5 1 EIBF CCN(CC)CCC[C@H](C)Nc1ccnc2ccc([N+](=O)[O-])cc12 4256580 VXBNCOZSCHIUCP-AWEZNQCLSA-N 330.432 4.065 5 1 EIBF CC[C@H](C)NC(=O)c1cc2ccccc2c(-c2cccc([N+](=O)[O-])c2)n1 28342927 QHXKGGWJWHBZJW-ZDUSSCGKSA-N 349.390 4.338 5 1 EIBF CCCCNc1nc(Nc2ccc3ccccc3c2)ncc1[N+](=O)[O-] 64504100 XOQRWOTVEGUMEG-UHFFFAOYSA-N 337.383 4.494 5 1 EIBF O=[N+]([O-])c1cc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c2cc1Cl 587089692 GINXPJZCFCHOIN-QMMMGPOBSA-N 332.040 4.048 5 1 EIBF O=[N+]([O-])c1cnc2[nH]c([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2c1 587049073 KJIMTMHGJMTWPW-RKDXNWHRSA-N 349.177 4.444 5 1 EIBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(C)c(Cl)cc3[nH]2)c1 587262067 MIGVHRGFVXNSOZ-UHFFFAOYSA-N 345.786 4.363 5 1 EIBF O=C(COc1ccccc1[N+](=O)[O-])c1coc2ccc(Cl)cc12 587276456 PXACCLYRPYQAIC-UHFFFAOYSA-N 331.711 4.256 5 1 EIBF COc1ccccc1C(=O)c1c(C(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587645814 DPQASHNTKZMRIC-UHFFFAOYSA-N 346.289 4.253 5 1 EIBF O=[N+]([O-])c1cccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c12 587073306 FVQLZGOZHWTWFU-UHFFFAOYSA-N 327.771 4.399 5 1 EIBF Oc1nc(=NC2CCCC2)[nH]c2ccc3c4ccccc4sc3c12 1857542209 XXQKKYGJKZJVCG-UHFFFAOYSA-N 335.432 4.480 5 1 EIBF O=[N+]([O-])c1ccc(Cn2c(-c3cscn3)nc3ccccc32)cc1 1857585701 HVFKXKSBCTYQRM-UHFFFAOYSA-N 336.376 4.116 5 1 EIBF COc1cc2ccn(C)c3c([O])c4cc5c(cc4c(c1O)c23)OCO5 2356819373 KGFGLHLBCRUKCN-UHFFFAOYSA-N 336.323 4.071 5 1 EIBF CC1(C)C=Cc2cc(O)c(OCc3ccc([N+](=O)[O-])cc3)cc2O1 1772587906 COVWLISADQTKCI-UHFFFAOYSA-N 327.336 4.064 5 1 EIBF Cc1cc2nc3ccccc3n(-c3cccc(N(C)C)c3)c-2c(C)c1=N 101320994 KKVDOZNLQCLGJB-UHFFFAOYSA-N 342.446 4.293 5 1 EIBF O=C(c1ccc(Cl)c([N+](=O)[O-])c1)c1coc2cc([N+](=O)[O-])ccc12 587280154 LOOOSNKDFJXSEK-UHFFFAOYSA-N 346.682 4.134 5 1 EIBF CCOC(=O)[C@H](CCCc1cccc([N+](=O)[O-])c1)c1ccccc1 71316796 JTBZYHMGUVXRFD-GOSISDBHSA-N 327.380 4.264 5 1 EIBF C[C@H](c1nc2cncc([N+](=O)[O-])c2[nH]1)c1ccccc1C(F)(F)F 587097780 KKMLVHPEUTUXCW-QMMMGPOBSA-N 336.273 4.037 5 1 EIBF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587151654 SMAIVVVQOCDWBY-SSDOTTSWSA-N 337.257 4.028 5 1 EIBF O=[N+]([O-])c1cccc(COc2ccc(CN3CCCCC3)cc2)c1 61936339 SDZTWWGMGRCRPQ-UHFFFAOYSA-N 326.396 4.160 5 3 EIBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(F)c(F)c(F)c3[nH]2)c1F 587139872 QUBAOFFEXBHWFT-UHFFFAOYSA-N 345.639 4.348 5 1 EIBF C[N+](C)(C)CC[C@]1(c2ccc(Cl)cc2)Cc2ccccc2C(=O)O1 53243978 IDHQFPCLXFFXFJ-HXUWFJFHSA-N 344.862 4.045 5 1 EIBF O=[N+]([O-])c1cnc2[nH]c([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2c1 587049069 KJIMTMHGJMTWPW-IUCAKERBSA-N 349.177 4.444 5 1 EIBF C/C(=C\c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)C1CCCCC1 587966730 GFVSKIYVSZFIFH-JXMROGBWSA-N 330.344 4.363 5 1 EIBF O=[N+]([O-])c1cc2[nH]c(-c3ccc(-c4nccs4)s3)nc2cc1F 587024139 WLVRRKZMDZRCLT-UHFFFAOYSA-N 346.368 4.462 5 1 EIBF CCCc1c(O)ccc2c1O[C@@H](c1csc([N+](=O)[O-])c1)CC2=O 587494276 KNDXRQADEUZTEX-CQSZACIVSA-N 333.365 4.021 5 1 EIBF CCSCCSc1nnc(-c2ccc([N+](=O)[O-])s2)s1 29044268 KLCCFVFOKOADLE-UHFFFAOYSA-N 333.485 4.020 5 1 EIBF C[C@H]1CCCCN1CCc1nc2ccccc2c2nc3ccccc3n12 31848105 YFRALAQKARCUGI-INIZCTEOSA-N 344.462 4.453 5 1 EIBF O=[N+]([O-])c1ccc(C[n+]2ccc3c(c2)[nH]c2ccc(Cl)cc23)cc1 45357046 CSSRFHSVYCDCAC-UHFFFAOYSA-O 338.774 4.219 5 1 EIBF O=C1C[C@@H](c2ccc(F)cc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587505789 QCIJJSOALBAWKW-SFHVURJKSA-N 341.338 4.319 5 1 EIBF COC(=O)OCc1ccc2nc3ccc(OC)cc3c(Cl)c2c1 58548524 WHDHQYJSYJLPFC-UHFFFAOYSA-N 331.755 4.333 5 1 EIBF Cc1cc2[nH]c([C@H]3SCCc4sccc43)nc2cc1[N+](=O)[O-] 587037841 ZKFWRIZYAOGSIB-AWEZNQCLSA-N 331.422 4.220 5 1 EIBF O=C(O)Cc1c(-c2ccc(Cl)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587645142 XHGBOJZBHREZPW-UHFFFAOYSA-N 330.727 4.024 5 1 EIBF COc1ccc2cc([C@@H](C)c3nc4cc([N+](=O)[O-])cnc4[nH]3)ccc2c1 587934626 KKUSWTSFJUOVQF-LLVKDONJSA-N 348.362 4.180 5 1 EIBF CCSC[C@@](C)(O)c1cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2[nH]1 28820640 MRSPRXVCAWDRFJ-CYBMUJFWSA-N 348.346 4.056 5 1 EIBF COc1cc2c(c3c1c(=O)c1ccccc1n3C)C=CC1(CCCC1)O2 5579993 NRJWDDAENVKOIA-UHFFFAOYSA-N 347.414 4.419 5 1 EIBF O=[N+]([O-])c1cc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2cc1F 587084656 FNHDQCSRXVMJGL-UHFFFAOYSA-N 342.717 4.479 5 1 EIBF Cn1cc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c(C(F)(F)F)c1 587112115 KYYPAHCOIAPDJZ-UHFFFAOYSA-N 344.680 4.149 5 1 EIBF CCCc1c(O)ccc2c1O[C@@H](c1ccc([N+](=O)[O-])cc1F)CC2=O 587465667 GWQBXSRFXFMFTN-QGZVFWFLSA-N 345.326 4.099 5 1 EIBF Cn1c2ccccc2c(=Nc2ccccc2)c2ccc([N+](=O)[O-])cc21 378063497 XEEKLLKZWOQYSS-UHFFFAOYSA-N 329.359 4.472 5 1 EIBF CN(C)CCn1cc2c([N+](=O)[O-])ccc3sc4ccccc4c1c32 71341501 HXHBNWSKOHTBEU-UHFFFAOYSA-N 339.420 4.479 5 1 EIBF Cc1ccc2cc3[nH]c4ccc(Br)cc4c3[n+](C)c2c1 28477009 DXNBYYKTWJMDQM-UHFFFAOYSA-O 326.217 4.370 5 1 EIBF CCC(=O)C(CCCCCCOc1cccc([N+](=O)[O-])c1)C(=O)CC 32138834 ZVLSRKMIVMSLHW-UHFFFAOYSA-N 349.427 4.499 5 1 EIBF C[N+](C)(C)C[C@@H]1[C@@H](COC(=O)Nc2ccc(Cl)cc2)[C@H]2C=C[C@H]1C2 169336785 WDRQUQMYUBFLEZ-USJZOSNVSA-O 349.882 4.033 5 1 EIBF O=C(COc1ccc(Cl)cc1)c1coc2cc([N+](=O)[O-])ccc12 587280050 HOKDXIALDDOHCJ-UHFFFAOYSA-N 331.711 4.256 5 1 EIBF O=C1C[C@@H](c2ccc(F)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587509307 YTCXAELPDVMDAV-SFHVURJKSA-N 341.338 4.319 5 1 EIBF Cc1cc2nc(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)[nH]c2c(C)n1 587265845 UGPCBVCUPAINRG-UHFFFAOYSA-N 334.335 4.410 5 1 EIBF Cc1[nH]c2cc(F)ccc2c1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 587633109 SEJJCYBVVZUVDW-UHFFFAOYSA-N 347.733 4.429 5 1 EIBF CC(C)(C)[C@@H]1CC[C@@H](c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)C1 587968896 IDPDIDSUWRIIMR-NXEZZACHSA-N 332.360 4.309 5 1 EIBF COc1ccc(C[C@H]2c3c(Cl)cccc3CC[N+]2(C)C)cc1OC 13648608 HXAJABXJNSFXGJ-KRWDZBQOSA-N 346.878 4.274 5 1 EIBF COc1c(C)c(/C=C/C(C)=C/c2ccc([N+](=O)[O-])cc2)oc(=O)c1C 238760165 ALSKMEGPUHHNOM-WKWSCTOISA-N 341.363 4.290 5 1 EIBF CCOCc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)o1 586903194 MVAJCWUZHKMPDH-UHFFFAOYSA-N 344.374 4.456 5 1 EIBF COC(=O)c1cc2c([nH]c3ccccc32)c(=O)c2c1[nH]c1ccccc12 13384230 RLYAECUXPZNGJY-UHFFFAOYSA-N 342.354 4.102 5 1 EIBF biogenic Cc1ccc(Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)c(C)c1 64393089 GVIUPSKOYHRWIK-UHFFFAOYSA-N 326.381 4.474 5 1 EIBF O=C(c1cc(Cl)nc(Cl)c1)c1coc2cc([N+](=O)[O-])ccc12 587280559 ZZCUHDYKFXXQPO-UHFFFAOYSA-N 337.118 4.274 5 1 EIBF Cc1cc(Nc2ccc3cc4ccccc4cc3c2)n2ncnc2n1 40917822 OXYDLVAOXASTMW-UHFFFAOYSA-N 325.375 4.483 5 1 EIBF in-vivo CCCc1c(O)ccc2c1O[C@@H](c1ccc([N+](=O)[O-])c(C)c1)CC2=O 587472977 PISQZACXBOALDL-GOSISDBHSA-N 341.363 4.268 5 1 EIBF Cc1[nH]c2cc(Cl)c(F)cc2c1C(=O)Nc1ccc([N+](=O)[O-])cc1 587631594 QBTRFMSQYCYCLK-UHFFFAOYSA-N 347.733 4.429 5 1 EIBF NC(=O)c1cc([N+](=O)[O-])ccc1Nc1ccccc1-c1ccccc1 1857611526 PLBKWYOWJLYLBO-UHFFFAOYSA-N 333.347 4.104 5 1 EIBF Cc1cccc(C)c1Nc1nc2cccc([N+](=O)[O-])c2n2cncc12 13860304 WZXOJGDWGFMVGO-UHFFFAOYSA-N 333.351 4.151 5 1 EIBF Clc1nnc(NCCCn2ccnc2)c2cc3ccccc3cc12 29134206 DMWOFOBZGBIPJU-UHFFFAOYSA-N 337.814 4.135 5 1 EIBF O=[N+]([O-])c1ccc(CCN2CC[C@H]3c4ccccc4CC[C@H]3C2)cc1 26173787 VMDLVEVOBUKRBG-GHTZIAJQSA-N 336.435 4.189 5 1 EIBF CCn1c2ccc(O)c(C(=O)OC)c2c2cc3ccccc3c(O)c21 1663327 GSMHSJBMLAJUCA-UHFFFAOYSA-N 335.359 4.165 5 1 EIBF Cc1cc([N+](=O)[O-])nn1CCCC(=O)c1coc2ccc(Cl)cc12 587276749 UPLWKMHIDILONM-UHFFFAOYSA-N 347.758 4.162 5 1 EIBF Cc1cc2c(=O)oc3c(C)c(O)ccc3c2c(C)c1Br 28572296 JIZKVJIMQBNEJT-UHFFFAOYSA-N 333.181 4.340 5 1 EIBF CCCc1c(O)ccc2c1O[C@H](c1cc(C)ccc1[N+](=O)[O-])CC2=O 587473091 PTBYPBZPEYVNPY-SFHVURJKSA-N 341.363 4.268 5 1 EIBF C[C@@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587512980 QTDACTCQRUIEPI-FQEVSTJZSA-N 337.375 4.354 5 1 EIBF COc1ccc2c(c1)CCC=C2Cc1nc2ccc([N+](=O)[O-])cc2[nH]1 587933924 AGHXFJDSUZBXJM-UHFFFAOYSA-N 335.363 4.052 5 1 EIBF Cc1nn(C)c(NCc2ccc(-c3cccs3)s2)c1[N+](=O)[O-] 5212044 FRQPWTXXDABLQI-UHFFFAOYSA-N 334.426 4.039 5 1 EIBF Cn1c(COc2ccc(C(C)(C)C)cc2)nc2cc([N+](=O)[O-])ccc21 103188138 KBFUDMYJJRCIRJ-UHFFFAOYSA-N 339.395 4.358 5 1 EIBF CC(C)(C)c1ccc(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])o2)cc1 1857615592 IPPBBOSWEQHSOV-UHFFFAOYSA-N 330.384 4.150 5 1 EIBF CC(C)(C)Oc1cc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c(N)cc1F 587136849 XINRFECXJLPPPX-UHFFFAOYSA-N 344.346 4.037 5 1 EIBF NC(=O)c1cc(Nc2ccccc2-c2ccccc2)ccc1[N+](=O)[O-] 1857584603 RCHXUFNGQCMULO-UHFFFAOYSA-N 333.347 4.104 5 1 EIBF CC1CCN(CCn2c3ccccc3c3nc4ccccc4nc32)CC1 31847962 HXMLCNLSHQJYPL-UHFFFAOYSA-N 344.462 4.470 5 1 EIBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cnccc2[nH]1 586972268 GISDDUAFCDDXPX-UHFFFAOYSA-N 328.397 4.281 5 1 EIBF Clc1cccnc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587065597 VCTLQERJHZQPJV-UHFFFAOYSA-N 331.766 4.375 5 1 EIBF O=[N+]([O-])c1cccc(CCc2nc3ccc(C(F)(F)F)cc3[nH]2)c1 587270891 VVTZIJHKGMAVBG-UHFFFAOYSA-N 335.285 4.275 5 1 EIBF Cc1cc(C)cc(OCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1 587564031 FPMMZXGVTLSTJP-UHFFFAOYSA-N 331.759 4.320 5 1 EIBF CC(C)(C)c1ccc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2c1 587269395 BRJAWOCALFJBQS-HNNXBMFYSA-N 338.411 4.011 5 1 EIBF O=C(O)c1cc(Cl)c(Nc2ccc([N+](=O)[O-])cc2)c(Cl)c1 13558635 JFZYOJIIUDVJLS-UHFFFAOYSA-N 327.123 4.343 5 1 EIBF Cc1ccc2nc(NC(=O)Nc3cccc([N+](=O)[O-])c3)sc2c1 40379840 QPKZYTXXQMTJMC-UHFFFAOYSA-N 328.353 4.157 5 1 EIBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(C)cc(C)c3[nH]2)c1 587262863 ZPLJYVSKSLAABX-UHFFFAOYSA-N 325.368 4.018 5 1 EIBF O=[N+]([O-])c1ccc(C2=NC(=S)N[C@H](c3ccc(Cl)cc3)C2)cc1 103162027 CHMIHDAUMDEORN-AWEZNQCLSA-N 345.811 4.057 5 1 EIBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)Nc1cccc(Cl)c1 587644903 QPFMDJSYAYRBGC-UHFFFAOYSA-N 329.743 4.290 5 1 EIBF O=C(NCC1CCCCC1)c1csc(-c2ccccc2[N+](=O)[O-])n1 82089364 MKRWIOSWQANUHW-UHFFFAOYSA-N 345.424 4.028 5 1 EIBF COc1cc(-c2nc3cc(C)c(Cl)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587260688 AGGLWGYIUQEBNV-UHFFFAOYSA-N 347.758 4.117 5 1 EIBF O=C(c1ncsc1C(F)(F)F)c1coc2cc([N+](=O)[O-])ccc12 587280302 RSARKNADBDGJMH-UHFFFAOYSA-N 342.254 4.047 5 1 EIBF O=[N+]([O-])c1cc(/C=C\c2nc3cc(Cl)cnc3[nH]2)ccc1Cl 587047336 GTJSHYSKBJLWEC-RQOWECAXSA-N 335.150 4.343 5 1 EIBF Cc1[nH]c(=S)n(Nc2cccc([N+](=O)[O-])c2)c1-c1ccccc1 33493423 WVUOLJBCLMCXCL-UHFFFAOYSA-N 326.381 4.305 5 1 EIBF O=[N+]([O-])c1ccc2nc(-c3ccccc3)[nH]c(=Nc3ccccc3)c2c1 1857634787 DIOVOHNEDFKJRJ-UHFFFAOYSA-N 342.358 4.371 5 1 EIBF O=[N+]([O-])c1cnc2[nH]c(Cc3ccccc3Oc3ccccc3)nc2c1 587949905 MTXAYLBAHHUFIF-UHFFFAOYSA-N 346.346 4.249 5 1 EIBF O=[N+]([O-])c1cc2nc(Cc3ccccc3C(F)(F)F)[nH]c2cc1F 587105832 APQNYUXISPVXJL-UHFFFAOYSA-N 339.248 4.220 5 1 EIBF Cc1c(-c2c[nH]c3ccc([N+](=O)[O-])cc23)[nH]c2c(C(=O)O)cccc12 587637713 GNBMAIURUCVTBO-UHFFFAOYSA-N 335.319 4.231 5 1 EIBF O=[N+]([O-])c1cccc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc12 587231670 DSECZPQHLRCAMS-UHFFFAOYSA-N 348.362 4.021 5 1 EIBF Cc1cc2[nH]c(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)nc2c(C)n1 587047472 IKHXRLLBNURXKV-XQRVVYSFSA-N 328.759 4.307 5 1 EIBF O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1Cc2cccc3cccc(c23)C1 1772587553 YKYSZHUIZHXCHD-FMIVXFBMSA-N 344.370 4.304 5 1 EIBF CCCCNC(=O)OCCN=c1c2ccccc2ccc2ccccc12 1643734 KSNRSZDXKRCVPJ-UHFFFAOYSA-N 348.446 4.420 5 1 EIBF C[N+]12CCc3c([nH]c4ccccc34)C1c1[nH]c3ccccc3c1CC2 38969809 ZDAAEDYQMNYLQR-UHFFFAOYSA-N 328.439 4.297 5 1 EIBF COc1cccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(F)F)c1 587646206 LPNKRPJZCAWFDY-UHFFFAOYSA-N 346.289 4.200 5 1 EIBF CN(C)CCCCNc1nc2ccccc2c2nc3ccccc3nc12 1772633551 YPHZZINXXQJVGW-UHFFFAOYSA-N 345.450 4.085 5 1 EIBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cccnc4[nH]3)c2)cc1 587272571 VOISXMDHTMAHRH-UHFFFAOYSA-N 332.319 4.325 5 1 EIBF CCn1c2ccncc2c2cc(C(=O)c3ccc([N+](=O)[O-])cc3)ccc21 71318862 SMFVRMVGGKBHJO-UHFFFAOYSA-N 345.358 4.349 5 1 EIBF O=[N+]([O-])c1cncc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc12 587165153 KVYQVBVKSNHTIO-UHFFFAOYSA-N 340.339 4.401 5 1 EIBF COc1c2cc([N+](=O)[O-])ccc2nn1Cc1ccc2ccccc2c1 95580039 CHMVRMQTELGDOE-UHFFFAOYSA-N 333.347 4.155 5 1 EIBF C[N+]12CCC(CC1)[C@@H](OC(=O)Nc1ccccc1-c1ccccc1)C2 144921934 KMKLFKWYYAVHDZ-GTPZEUEISA-O 337.443 4.141 5 1 EIBF COc1ccc2c(ccc3c2ncc2c(=O)n(-c4ccccc4)[nH]c23)c1 45229390 QWVXYTFGAMCFRE-UHFFFAOYSA-N 341.370 4.029 5 1 EIBF COc1ccc2c(c1)nc(C(=O)O)c1c3cccc(Cl)c3[nH]c21 473110855 WXMYTQDKBPDSSR-UHFFFAOYSA-N 326.739 4.230 5 1 EIBF C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccc(Sc3ccccc3)cc2)CO1 1911577570 WXGLQWLONQSHMW-YLJYHZDGSA-N 344.500 4.001 5 1 EIBF CC[C@@]12C=C[C@@H](O1)[C@H](C(=O)c1ccccc1)[C@H]2c1ccc([N+](=O)[O-])cc1 299845023 DAJBYLUBGUBPJS-HDAAZOAOSA-N 349.386 4.295 5 1 EIBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3cnc4ccccc4c3[nH]2)c1F 587139307 GXZLBGWPFKJOAV-UHFFFAOYSA-N 342.717 4.479 5 1 EIBF CC[C@]1(CC[C@H](C)[N+](=O)[O-])c2cc(OC)ccc2CCN1C(C)C 962086715 CSNGPNCEWIVBHJ-KXBFYZLASA-N 334.460 4.012 5 1 EIBF CCO[C@@H](C)c1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2N)cc1 587647584 JIYFJWMSAMGTOK-NSHDSACASA-N 325.368 4.423 5 1 EIBF COc1ccc([C@H](CC(=O)c2cc3ccccc3o2)C[N+](=O)[O-])cc1 43066251 YSCIGSRMXLSCPA-OAHLLOKOSA-N 339.347 4.075 5 1 EIBF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H]([N+](=O)[O-])CCC3 587103822 BFKDOXIEMSBTKC-INIZCTEOSA-N 330.343 4.100 5 1 EIBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc3ccccc3cc2[nH]1 587270357 WAWPJWBKKBVAQN-UHFFFAOYSA-N 347.330 4.016 5 1 EIBF Cc1cc(C)c2[nH]c(-c3cc([N+](=O)[O-])ccc3N3CCCC3)nc2c1 587270369 WNSICSNYAGGTSQ-UHFFFAOYSA-N 336.395 4.355 5 1 EIBF O=[N+]([O-])c1cccc(Cl)c1CNCCc1c[nH]c2ccccc12 1857603935 STFYECVTJVAXEL-UHFFFAOYSA-N 329.787 4.062 5 1 EIBF O=[N+]([O-])c1cc(/C=C/c2nc3cc4c(cc3[nH]2)OCO4)ccc1Cl 587047711 LGMJWVNUMYMTMV-DUXPYHPUSA-N 343.726 4.024 5 1 EIBF O=C(c1ccccc1)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587644838 CYUCJYKUVXBYMC-UHFFFAOYSA-N 334.253 4.326 5 1 EIBF Cc1cc([N+](=O)[O-])ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587512458 ODCQGKBPALZBPE-IBGZPJMESA-N 337.375 4.489 5 1 EIBF O=[N+]([O-])c1ccc(COc2cccc(CN3CCCCC3)c2)cc1 61936337 JAGPKBFIBPFBIG-UHFFFAOYSA-N 326.396 4.160 5 3 EIBF O=C(O)Cc1ccccc1Oc1cc(Cl)cc(Cl)c1[N+](=O)[O-] 26394322 DOIUBIIMOQPXRJ-UHFFFAOYSA-N 342.134 4.321 5 1 EIBF Cc1cc2[nH]c(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)nc2c(C)n1 587047471 IKHXRLLBNURXKV-GQCTYLIASA-N 328.759 4.307 5 1 EIBF O=[N+]([O-])c1cc(/C=C\c2nc3ccnc(Cl)c3[nH]2)ccc1Cl 587047783 NDPQEZZZIPBCHQ-RQOWECAXSA-N 335.150 4.343 5 1 EIBF Cc1c(-c2cc3c4c(cccc4n2)CC3)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 587211895 YOGNPLIRXOGLHV-UHFFFAOYSA-N 349.346 4.434 5 1 EIBF O=[N+]([O-])c1cc2nc(Cc3c[nH]c4ccc(F)cc34)[nH]c2cc1Cl 587174370 IMIFEICPJCRWBT-UHFFFAOYSA-N 344.733 4.336 5 1 EIBF COC(=O)c1c(-c2ccc(Cl)cc2)[nH]c2cccc([N+](=O)[O-])c12 587645224 ZXRUDHBXENHDHT-UHFFFAOYSA-N 330.727 4.183 5 1 EIBF Cc1oc(-c2ccsc2)nc1Cc1nc2cccc([N+](=O)[O-])c2[nH]1 587027268 ULWHKLWKMHFAME-UHFFFAOYSA-N 340.364 4.087 5 1 EIBF COc1cc2ccn(C)c3c([O])c4cc5c(cc4c(c1O)c23)OCO5 2356821018 KGFGLHLBCRUKCN-UHFFFAOYSA-N 336.323 4.071 5 1 EIBF O=c1cc(-c2cccc(Br)c2)oc2ccc([N+](=O)[O-])cc12 26166909 IOYFMBZXVIRMNX-UHFFFAOYSA-N 346.136 4.131 5 1 EIBF in-vivo Cc1cc(Cl)ccc1OCCCc1nc2ccc([N+](=O)[O-])cc2[nH]1 587066097 IAZLJUZYXZVELK-UHFFFAOYSA-N 345.786 4.445 5 1 EIBF C[C@@H](c1nc2cc3nc4ccccc4nc3cc2[nH]1)n1cc(Cl)cn1 587082803 WXFAIFJZVWSTFI-JTQLQIEISA-N 348.797 4.119 5 1 EIBF COc1ccc2c3c(c4cc(O)c(OC)cc4c2c1)C[C@H]1CCCN1C3 28817919 GMVXEWJUDYQWDS-CYBMUJFWSA-N 349.430 4.236 5 1 EIBF Cc1c[nH]c(NCCCN(C)C)c2c3ccc4ccccc4c3nc1-2 100792219 XGUVAHXQOQENGJ-UHFFFAOYSA-N 332.451 4.493 5 1 EIBF Cc1ccc2c3c(c4c(nc13)CC[C@@H]4C[N+](=O)[O-])-c1ccccc1C2=O 587096477 BVKPCEVRMIPGLV-GFCCVEGCSA-N 344.370 4.061 5 1 EIBF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cccc([N+](=O)[O-])c2[nH]1 587925456 ANPZVBUBIJDITQ-LBPRGKRZSA-N 341.367 4.030 5 1 EIBF O=c1cc(NC[C@H](O)c2ccccc2)oc2c1ccc1ccccc12 138469510 QXNQTCFBVPDGBA-IBGZPJMESA-N 331.371 4.092 5 1 EIBF O=[N+]([O-])c1cccc2nc(-c3cccnc3NCc3ccccc3)[nH]c12 587229995 PLPWDKZRFGKRKX-UHFFFAOYSA-N 345.362 4.145 5 1 EIBF O=C(Oc1cncc(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 28975877 FFZBRNPLWVOTBP-UHFFFAOYSA-N 344.710 4.122 5 1 EIBF O=[N+]([O-])c1cc2nc([C@H]3SCCc4sccc43)[nH]c2cc1F 587037717 XKISQNMMZJUYPO-ZDUSSCGKSA-N 335.385 4.050 5 1 EIBF Cc1ccc2c(c1)c1c(n2CCc2ccc(C)nc2)CC[N+](C)(C)C1 82052173 IEOQADJNVQDEPH-UHFFFAOYSA-N 334.487 4.028 5 1 EIBF COc1cc2oc3cccc(OC)c3c(=O)c2c(O)c1CC=C(C)C 238733342 XVDIZPCDYJFVOF-UHFFFAOYSA-N 340.375 4.178 5 1 EIBF CC(C)(C)c1cc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1O 473114563 NSVBRTJRSVOIJY-UHFFFAOYSA-N 349.770 4.471 5 1 EIBF O=[N+]([O-])c1ccc(-c2[nH]nc(O)c2Cc2ccc3ccccc3c2)cc1 27712548 DIDBLFWANRWMJS-UHFFFAOYSA-N 345.358 4.435 5 1 EIBF COc1cc2cc(COC(=O)CC(C)C)ccc2c2oc(=O)ccc12 299862010 JABCPDWEZKZNOT-UHFFFAOYSA-N 340.375 4.044 5 1 EIBF COc1cc(OCc2nc3cc4ccccc4cc3[nH]2)ccc1[N+](=O)[O-] 587263353 RWMMGVBDUODFOG-UHFFFAOYSA-N 349.346 4.212 5 1 EIBF COC(=O)CCCCCCC(=O)c1coc2cc([N+](=O)[O-])ccc12 587279939 VLXDTDBZRHTZHX-UHFFFAOYSA-N 333.340 4.037 5 1 EIBF O=[N+]([O-])c1ccc(COc2ccc(CN3CCCCC3)cc2)cc1 61936336 PSICQBIVBYCXDO-UHFFFAOYSA-N 326.396 4.160 5 3 EIBF O=c1ccc2nccc3c4cc(OCc5ccccc5)ccc4n1c23 169321493 YDCAFMNWUPZFPP-UHFFFAOYSA-N 326.355 4.018 5 1 EIBF Cc1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1ccc([N+](=O)[O-])cc1 587631494 OCPJUJIONHJIMW-UHFFFAOYSA-N 332.718 4.408 5 1 EIBF O=[N+]([O-])c1cnc2[nH]c(Cc3ccc(-c4ccccc4)c(F)c3)nc2c1 587145632 MLOMZNOAPBWUHK-UHFFFAOYSA-N 348.337 4.263 5 1 EIBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4ccc(F)cc4[nH]3)c2)c1 587269866 IEGJQISLXQUXFP-UHFFFAOYSA-N 334.310 4.339 5 1 EIBF O=c1c2cc(OCc3ccccc3)ccc2[nH]c2ccc([N+](=O)[O-])cc12 84672029 LBASFVDZEVLDQP-UHFFFAOYSA-N 346.342 4.169 5 1 EIBF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 587931721 MNWJDUXFCBIRED-BFUOFWGJSA-N 337.379 4.233 5 1 EIBF CN(C)CCCCCCNC(=O)c1cccc2cc3ccccc3nc12 5957556 UGNMXZHEGRDHEO-UHFFFAOYSA-N 349.478 4.240 5 1 EIBF O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1coc2ccc(Cl)cc12 587276527 RRRCDPYMIGDGDT-UHFFFAOYSA-N 346.682 4.134 5 1 EIBF Cc1oc2c(c1-c1nc3cc([N+](=O)[O-])c(Cl)cc3[nH]1)C(=O)CCC2 586904691 YKXRRLRBVKOQJY-UHFFFAOYSA-N 345.742 4.212 5 1 EIBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C)c([N+](=O)[O-])c1)CC2=O 587473610 YOJFWYAFMLFNSC-GOSISDBHSA-N 341.363 4.268 5 1 EIBF CCCN1CCC(COc2nc3ccccc3c3cnccc23)CC1 95572754 KFMOMAKLQSWJAC-UHFFFAOYSA-N 335.451 4.284 5 1 EIBF O=[N+]([O-])c1cc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2cc1Cl 586886849 QMQQXSQAPWASNU-SGTLLEGYSA-N 339.782 4.496 5 1 EIBF CCn1c(=O)c([N+](=O)[O-])c(Sc2ccc(C)cc2)c2ccccc21 95771600 KUYPFUHCYKESPP-UHFFFAOYSA-N 340.404 4.389 5 1 EIBF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)ccc1[N+](=O)[O-])CC2=O 587473090 PTBYPBZPEYVNPY-GOSISDBHSA-N 341.363 4.268 5 1 EIBF CC[C@@H](C)Oc1ccc(Cn2ccnc2)c2c(=O)c3ccccc3oc12 95591309 LBQPGQYUZRSKKW-CQSZACIVSA-N 348.402 4.368 5 1 EIBF O=C(c1ncoc1-c1ccccc1)c1coc2cc([N+](=O)[O-])ccc12 587280161 LUHMMLWVIROEPW-UHFFFAOYSA-N 334.287 4.227 5 1 EIBF CNC(=S)C1=CC2(CCCCCC2)Oc2ccc([N+](=O)[O-])cc21 26579693 CMBMAUZHZRWJHB-UHFFFAOYSA-N 332.425 4.010 5 1 EIBF Nc1c(F)cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1F 587134170 AMMAHEQMLGPYTG-UHFFFAOYSA-N 347.328 4.187 5 1 EIBF O=[N+]([O-])c1ccc(C2=NO[C@H]3CCCCC[C@H]23)cc1C(F)(F)F 95574916 KUSUWQRZGSYMFE-GWCFXTLKSA-N 328.290 4.297 5 1 EIBF CCN(c1ccc2nonc2c1[N+](=O)[O-])c1cccc2ccccc12 3909314 JZCJZMAMRRWFLP-UHFFFAOYSA-N 334.335 4.442 5 1 EIBF CC(C)(C)c1cccc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c12 587270102 KHTUZXWZJDANJM-HNNXBMFYSA-N 338.411 4.011 5 1 EIBF O=C1CCC[C@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)CC1 586883562 BZWRMHFRDOCTIC-LBPRGKRZSA-N 330.391 4.276 5 1 EIBF O=[N+]([O-])c1cccc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c12 587097753 NCIGKEXPMXNFQL-UHFFFAOYSA-N 325.221 4.296 5 1 EIBF COc1cccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1O 587785463 AYDWYKFAAHPASP-UHFFFAOYSA-N 342.358 4.041 5 1 EIBF CNCCc1c2[nH]c3ccccc3c3ccnc(c4ncsc14)c23 13432837 AQTLXCYZJJTLKN-UHFFFAOYSA-N 332.432 4.241 5 1 EIBF biogenic CCc1cc(O)c2c(c1)C[C@H]1c3c(cc(CC)c(O)c3-2)CC[N+]1(C)C 238753026 LAVJPAQIYBTNQR-KRWDZBQOSA-O 338.471 4.119 5 1 EIBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(Cl)cncc3[nH]2)o1 587265175 PMPAKSXNXQQNIW-UHFFFAOYSA-N 340.726 4.447 5 1 EIBF O=[N+]([O-])c1c(F)cccc1[C@@H]1NCCc2c(Cl)cc(Cl)cc21 963119734 HTIJGRZZHDZZJK-AWEZNQCLSA-N 341.169 4.276 5 1 EIBF O=[N+]([O-])c1ccc(-c2nc3c(NCc4ccccc4)nccc3[nH]2)cc1 1857634203 LAHSVHNMCNVDJG-UHFFFAOYSA-N 345.362 4.145 5 1 EIBF CCc1nc2cccc3c2c(c1C[C@H](C)[N+](=O)[O-])-c1ccccc1C3=O 587104814 JXXHDNJCPJCWDQ-LBPRGKRZSA-N 346.386 4.216 5 1 EIBF O=[N+]([O-])c1cc(/C=C/c2nc3ccc(Cl)nc3[nH]2)ccc1Cl 587047566 KZBLKOLVBNCSEL-QHHAFSJGSA-N 335.150 4.343 5 1 EIBF CC(=O)c1c(-c2cc(Cl)ccc2O)[nH]c2cc([N+](=O)[O-])ccc12 587645226 ZZHRRZAAZVXNBP-UHFFFAOYSA-N 330.727 4.305 5 1 EIBF O=[N+]([O-])c1ccc2c(c1)NC(c1ccc(Br)cc1)=CO2 957579804 FQFAZDZVBDFURB-UHFFFAOYSA-N 333.141 4.160 5 1 EIBF Cc1ccnc2c1CCN[C@@H]2c1ccc(SC(C)C)c([N+](=O)[O-])c1 963073170 PFVKGFAOHRQTNO-QGZVFWFLSA-N 343.452 4.034 5 1 EIBF Cc1c[nH]c(C(=O)O)c1-c1cccn1-c1ccc(Cl)cc1[N+](=O)[O-] 1650878 PEILFELNUZCKAY-UHFFFAOYSA-N 345.742 4.041 5 1 EIBF O=c1c2cccc3c(N4CCCC4)ccc(c32)c2nc3ccccc3n12 96934439 LRFHUDGASNNMAS-UHFFFAOYSA-N 339.398 4.192 5 1 EIBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccc(Cl)cc3[nH]2)c1 587270376 WRXLDLYVYKGAEX-UHFFFAOYSA-N 342.786 4.392 5 1 EIBF O=C1C[C@@H](c2ccc([N+](=O)[O-])cc2F)Oc2c1ccc1c2CCCC1 587508734 ZXUMMVYJTVIIIZ-SFHVURJKSA-N 341.338 4.319 5 1 EIBF COc1cc(OC)c2cnc3c4cc5c(cc4ccc3c2c1)OCO5 15119299 WIYIZYXTKKLKKT-UHFFFAOYSA-N 333.343 4.287 5 1 EIBF biogenic,in-vitro O=[N+]([O-])c1c(O)c(F)c(OCc2ccc3ccccc3c2)c(F)c1F 27657734 KMNWNWUDNUXKEG-UHFFFAOYSA-N 349.264 4.450 5 1 EIBF CC[C@H](Oc1ccccc1Cl)c1nc2cc([N+](=O)[O-])cnc2[nH]1 587062909 YDBZIBNSEHFKFB-LBPRGKRZSA-N 332.747 4.050 5 1 EIBF COc1ccc2c([O])c3c4c(ccn3C)cc(OC)c(O)c4c2c1O 2356839171 KXHVCELRZGRIOZ-UHFFFAOYSA-N 338.339 4.057 5 1 EIBF CC(C)COc1cccc(OCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 587565890 MJRIRJQIGKXWQC-UHFFFAOYSA-N 341.367 4.085 5 1 EIBF CN(C)CCNC(=O)c1cc2cccc3sc4ccccc4c(c1)c23 1857567183 QUXGPCIEPZNVBR-UHFFFAOYSA-N 348.471 4.499 5 1 EIBF CNC(=O)OCc1c2ccncc2c(C)c2c1[nH]c1ccc(OC)cc12 13221024 KCKJVLUFUWEYGI-UHFFFAOYSA-N 349.390 4.042 5 1 EIBF COc1cc2oc3c(OC)cccc3c(=O)c2c(O)c1CC=C(C)C 14819726 ADQOAYRZNAECHD-UHFFFAOYSA-N 340.375 4.178 5 1 EIBF endogenous,in-man C[C@@H]1N=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N=C1S 29125432 RAULBGNGEPBWOW-VIFPVBQESA-N 345.811 4.448 5 1 EIBF O=C(Nc1ccccc1[N+](=O)[O-])c1cccc2c1C(=O)c1ccccc1-2 40395008 WYWKMBLTHVUQED-UHFFFAOYSA-N 344.326 4.059 5 1 EIBF COc1cccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12 587047103 BDMZQZOMFWYZSM-VURMDHGXSA-N 329.743 4.304 5 1 EIBF CCOC(=O)c1c(-c2ccc(F)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587645566 CVMRHMMBFNHMPK-UHFFFAOYSA-N 328.299 4.059 5 1 EIBF COc1ccc2c3c(c4cc5c(cc4c2c1)OCO5)C[C@H]1CCCN1C3 15216022 SQVBRXGPXHOUAI-CYBMUJFWSA-N 347.414 4.251 5 1 EIBF biogenic CC1(C)C=Cc2c(cc3c4c2oc2ccccc2c4nn3CCO)O1 26578065 TYRLCKRUTPZZQI-UHFFFAOYSA-N 334.375 4.112 5 1 EIBF c1ccc(Nc2nc3c(-c4nc[nH]n4)cccc3c3cnccc23)cc1 73157699 SUWUBTVCKQZMPW-UHFFFAOYSA-N 338.374 4.312 5 1 EIBF Nc1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)ccc1F 587139723 RSKDBJPAVXTCHK-UHFFFAOYSA-N 329.338 4.048 5 1 EIBF Cn1c2ccccc2c2c3c(c4c5ccccc5n(C)c4c21)C(=O)NC3 29569911 SUEMEPLCFVXWCH-UHFFFAOYSA-N 339.398 4.220 5 1 EIBF C[C@@](C(=O)O[C@@H]1C[C@@H]2CC[C@@H]1[N+]2(C)C)(c1ccccc1)C1CCCC1 169702546 QFJDHDDFPKAMOX-ITTUMRLJSA-N 342.503 4.057 5 1 EIBF CN1C[C@](O)(c2ccc3c(ccc4ccccc43)c2)O[C@@H]2CCCC[C@@H]21 473118787 LMKBZJWIOPGNSG-YTFSRNRJSA-N 347.458 4.411 5 1 EIBF CCO[C@@H](C)c1nc(C)c(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)s1 587015179 ZRIFGLIXWUOXRW-VIFPVBQESA-N 332.385 4.001 5 1 EIBF O=[N+]([O-])c1ccc2c(c1)C(c1ccccc1Cl)=Nc1c[nH]nc1N2 64540309 JOBYRTMUHJKCCU-UHFFFAOYSA-N 339.742 4.197 5 1 EIBF COc1cc(-c2oc3c(ccc4ccccc43)c(=O)c2O)ccc1F 96283612 FMJOJTPFLNJFIL-UHFFFAOYSA-N 336.318 4.467 5 1 EIBF COc1ccc2cc([C@@H](C)c3nc4cncc([N+](=O)[O-])c4[nH]3)ccc2c1 587933991 CYQPECDWTCEUBZ-LLVKDONJSA-N 348.362 4.180 5 1 EIBF COc1cc2c3c(c4ccc(O)cc4c2cc1OC)CN1CCC[C@@H]1C3 13370332 BFZAOGGSKQRCNS-CYBMUJFWSA-N 349.430 4.236 5 1 EIBF biogenic,in-vitro COc1cc2c(oc(=O)c3cc(C)cc(OC)c32)c2cccc(O)c12 15256801 MVBUSXGIUAXYFA-UHFFFAOYSA-N 336.343 4.131 5 1 EIBF biogenic COc1cc2ccc3cc(OC)c(OC)c(OC)c3c2cc1OC 216209406 RNTAIKBFRNJDIV-UHFFFAOYSA-N 328.364 4.036 5 1 EIBF O=[N+]([O-])c1cc2nc(CNc3ccccc3Cl)[nH]c2cc1Cl 587060444 MCZDBOMWVXXDRH-UHFFFAOYSA-N 337.166 4.390 5 1 EIBF CC[C@H](Oc1ccccc1F)c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 587156711 YDDQLPMYPFRWEQ-HNNXBMFYSA-N 329.331 4.449 5 1 EIBF COc1nc2c3cc4c(cc3ccc2c2ccc3c(c12)OCO3)OCO4 14636698 YKFHPKQJKJQLCZ-UHFFFAOYSA-N 347.326 4.007 5 1 EIBF biogenic O=[N+]([O-])c1cc(/C=C/c2nc3cccc([N+](=O)[O-])c3[nH]2)ccc1Cl 587048414 ASRRJYPSXCLXOA-FNORWQNLSA-N 344.714 4.203 5 1 EIBF COc1ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 51023595 YAKOIXCSPBCSII-CLTKARDFSA-N 329.743 4.304 5 1 EIBF Cn1c(COc2cccc3ccccc23)nc2cc([N+](=O)[O-])ccc21 103186801 SWKGUHIAERFTLI-UHFFFAOYSA-N 333.347 4.214 5 1 EIBF O=[N+]([O-])c1cncc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c12 587047692 ANKPRCXSZVSUCC-JGVFFNPUSA-N 349.177 4.444 5 1 EIBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C(C)C)c([N+](=O)[O-])c1)O2 587389213 JXHVORUGTDGRED-GOSISDBHSA-N 340.379 4.315 5 1 EIBF CC[C@@]1(CC[C@@H](C)[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 587511292 ORJNLOYTNXEWTP-BFUOFWGJSA-N 331.412 4.125 5 1 EIBF COc1cc(Cn2c3ccccc3c(=O)c3ccccc32)cc(OC)c1 40413720 IKGXTINFOCFGMP-UHFFFAOYSA-N 345.398 4.220 5 1 EIBF CCN(CC)CCNc1c2ccccc2[n+](C)c2c1oc1ccccc12 55723055 PNNPCGFJIPSYCC-UHFFFAOYSA-O 348.470 4.317 5 1 EIBF Cn1nc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c(F)c1O 587156115 VLIXRMJMWAHYCD-UHFFFAOYSA-N 332.338 4.115 5 1 EIBF CC(C)(C)c1cccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c12 587158263 BKQYROWAIJAHFL-UHFFFAOYSA-N 343.358 4.487 5 1 EIBF CCCc1c(O)ccc2c1O[C@H](c1ccc(C)cc1[N+](=O)[O-])CC2=O 587468610 CMPKRLDKAPLYGJ-SFHVURJKSA-N 341.363 4.268 5 1 EIBF CC[C@]1(CC[C@@H](C)[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 587511296 ORJNLOYTNXEWTP-YJYMSZOUSA-N 331.412 4.125 5 1 EIBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cccc(Cl)c3[nH]2)c1 587262145 ODFAGJXASJZFFQ-UHFFFAOYSA-N 331.759 4.054 5 1 EIBF O=[N+]([O-])c1ccc2cc(-c3nnc(-c4ccc(F)cc4)o3)oc2c1 1857620666 BCCXMWJKYPPRSI-UHFFFAOYSA-N 325.255 4.197 5 1 EIBF CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)[nH]c2cc(F)ccc12 587635742 MJWVSTFTABHDJJ-UHFFFAOYSA-N 328.299 4.059 5 1 EIBF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587929856 NEIYDFNGLPCHAZ-BBATYDOGSA-N 341.342 4.064 5 1 EIBF O=C1c2cccc3cc4ccccc4c(c23)C(=O)N1Cc1ccccn1 27859180 KBZFSIBOBYMSKS-UHFFFAOYSA-N 338.366 4.184 5 1 EIBF CC(C)NCCCNc1c2ccccc2[n+](C)c2c1[nH]c1ccccc12 28979848 QQHBUFYYSDYQNX-UHFFFAOYSA-O 347.486 4.099 5 1 EIBF O[C@@H](c1nc2c3ccccc3c3ccccc3c2[nH]1)C1CCOCC1 586916120 KMWRJZMEELNHTP-HXUWFJFHSA-N 332.403 4.329 5 1 EIBF C[C@]1(c2cc(F)ccc2[N+](=O)[O-])c2c(F)cccc2C[C@H]2CCCN21 963109885 QFNFENCMNDRIRT-KUHUBIRLSA-N 344.361 4.157 5 1 EIBF CC[C@@]1(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)CC(=O)c2ccccc2C1 587959302 DBSSDJBPNWEIBZ-FQEVSTJZSA-N 349.390 4.239 5 1 EIBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(Cl)ccc1[N+](=O)[O-])O2 587379162 SZDPXEQEXCQBOA-QGZVFWFLSA-N 346.770 4.019 5 1 EIBF O=[N+]([O-])c1ccc(C2=NO[C@H](c3ccc(-c4ccncc4)cc3)C2)o1 1772584824 VVHHGIYSDATJJI-KRWDZBQOSA-N 335.319 4.116 5 1 EIBF Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cc([N+](=O)[O-])ccc23)o1 587645032 HVDVAJZRWIIRAA-UHFFFAOYSA-N 338.241 4.227 5 1 EIBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1[C@H]1CCCN1C(=O)OC(C)(C)C 587649406 UOQHOVWOQGQZMO-OAHLLOKOSA-N 345.399 4.457 5 1 EIBF O=c1oc2ccccc2c2oc3ccc4c(c3c12)CN(CC1CC1)CO4 1772605074 VVZHFYOUXLTIMM-UHFFFAOYSA-N 347.370 4.254 5 1 EIBF O=[N+]([O-])c1ccc2[nH]cc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)c2c1 45290672 DPHKLRAICLJWHM-UHFFFAOYSA-N 336.307 4.056 5 1 EIBF O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc(-c2ccc(Cl)cc2)o1 95558219 LVAFMHDXJQZTLG-UHFFFAOYSA-N 349.755 4.217 5 1 EIBF O=C(c1ccc(Cl)nc1Cl)c1coc2cc([N+](=O)[O-])ccc12 587280191 NCENSWVFAYKNCW-UHFFFAOYSA-N 337.118 4.274 5 1 EIBF O=[N+]([O-])c1ccc2c(Nc3cccc(Br)c3)ncnc2c1 3815406 RZBBKHCMKJSCKV-UHFFFAOYSA-N 345.156 4.044 5 1 EIBF O=[N+]([O-])c1cc2c(/C=C/c3ccccc3)n[nH]c2cc1N1CCCC1 49072365 HBGNZQRVHBIHPS-CMDGGOBGSA-N 334.379 4.242 5 1 EIBF C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(O)(c1ccccc1)c1ccccc1)C2 103229895 SPCFAZXKBQPYBW-FJPGZJACSA-N 336.499 4.330 5 1 EIBF COc1cc2c3c(c4ccccc4c2cc1OC)[C@H](O)[C@@H]1CCCN1C3 66259868 ANQNMLURNXPSDY-PGRDOPGGSA-N 349.430 4.022 5 1 EIBF COc1cc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2cc1C 587139292 FZCHLYDSWWJDNC-UHFFFAOYSA-N 335.722 4.248 5 1 EIBF O=C(O)Cc1cccc2c(=O)c3cccc(-c4ccccc4)c3oc12 28769749 DZPOQYAJKSTALU-UHFFFAOYSA-N 330.339 4.240 5 1 EIBF CC[C@@H](Oc1ccccc1Cl)c1nc2cc([N+](=O)[O-])cnc2[nH]1 587062908 YDBZIBNSEHFKFB-GFCCVEGCSA-N 332.747 4.050 5 1 EIBF O=[N+]([O-])c1ccc([C@@H]2CC(c3cccnc3)=NN2c2ccccc2)cc1 4566929 BEIVMFALHSLDEH-FQEVSTJZSA-N 344.374 4.346 5 1 EIBF O=C(O)CCCc1c(-c2ccc(F)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587645905 OCRBJBXTQQMSAX-UHFFFAOYSA-N 342.326 4.290 5 1 EIBF O=[N+]([O-])c1ccc(-c2cc(CNCc3c[nH]c4ccccc34)on2)cc1 653721461 FVJLTFIUGRTOKK-UHFFFAOYSA-N 348.362 4.021 5 1 EIBF COc1ccc(C(=O)Nc2ccc3ccc4cccnc4c3n2)cc1 28224827 BEJXBXQWIBLCNR-UHFFFAOYSA-N 329.359 4.044 5 1 EIBF O=C(O)c1ccc2oc3ccc(C(=O)C4CCCC4)cc3c(=O)c2c1 169322620 PUKQJVAVCMIXLM-UHFFFAOYSA-N 336.343 4.017 5 1 EIBF CCn1c(=O)c(-c2ccccc2)nc2c(Cl)c3ncccc3cc21 653753011 FDZWIRIGVGYZNP-UHFFFAOYSA-N 335.794 4.285 5 1 EIBF O=[N+]([O-])c1cc(F)cc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1 587160111 HLDBWQPXUISTPI-UHFFFAOYSA-N 341.220 4.176 5 1 EIBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cnccc4[nH]3)c2)cc1 587272367 RFGRGVKYQFVSSH-UHFFFAOYSA-N 332.319 4.325 5 1 EIBF COc1cc2c3c(c4ccc(O)cc4c2cc1OC)CN1CCC[C@H]1C3 13370330 BFZAOGGSKQRCNS-ZDUSSCGKSA-N 349.430 4.236 5 1 EIBF biogenic NC(=O)c1c(Cl)c(Cl)c2nc3ccccc3c(O)c2c1Cl 58603697 CBSPPWQOPSUHHB-UHFFFAOYSA-N 341.581 4.153 5 1 EIBF O=[N+]([O-])c1ccc(-n2ccc([C@H](c3ccccc3)n3ccnc3)c2)cc1 1857555986 CMNAEROYMIKZBP-FQEVSTJZSA-N 344.374 4.220 5 1 EIBF COc1cccc(-c2nc3cc(C(=O)O)ccc3c3cnccc23)c1 73224853 CINIRJLZWOCOCA-UHFFFAOYSA-N 330.343 4.157 5 1 EIBF O=C1C[C@@H](c2cc([N+](=O)[O-])ccc2F)Oc2c1ccc1c2CCCC1 587504239 IACKVDFMFUZMBA-SFHVURJKSA-N 341.338 4.319 5 1 EIBF O=C1C[C@H](c2ccc(F)cc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587505786 QCIJJSOALBAWKW-GOSISDBHSA-N 341.338 4.319 5 1 EIBF Cc1ncc([N+](=O)[O-])n1CCO[C@@H](c1ccccc1)C1CCCCC1 28460941 AAXXMQQUPDDYOT-IBGZPJMESA-N 343.427 4.438 5 1 EIBF C[C@H]1CCCCN1Cc1nc2ccccc2c2nc3ccccc3n12 31848145 WHFINNHQJGPGNW-HNNXBMFYSA-N 330.435 4.410 5 1 EIBF COc1ccc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2c1 587264276 FGOGZMHKOIIYOL-UHFFFAOYSA-N 335.319 4.407 5 1 EIBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cc4[nH]ncc4cc3[nH]2)o1 587265594 QWNXWRKSLFKTFN-UHFFFAOYSA-N 345.318 4.274 5 1 EIBF CCN(CCCNCCCN)Cc1c2ccccc2cc2ccccc12 13685294 XROPLQDKCHMITN-UHFFFAOYSA-N 349.522 4.143 5 1 EIBF O=[N+]([O-])c1cc(O)c2cc(-c3ccc(Br)cc3)[nH]c2c1 72113155 WAQYCHXCHAJIKW-UHFFFAOYSA-N 333.141 4.211 5 1 EIBF COc1cccc(C(=O)c2c(C(F)F)[nH]c3cc([N+](=O)[O-])ccc23)c1 587645947 FYKZSBLDROATDP-UHFFFAOYSA-N 346.289 4.253 5 1 EIBF O=[N+]([O-])c1ccc2nc3n(c2c1)[C@H](c1c(F)cccc1F)SC3 13222667 NWGWIRRSIXWBBQ-HNNXBMFYSA-N 333.319 4.016 5 1 EIBF Cc1ccc(-c2nc(-c3nc4cc([N+](=O)[O-])c(C)cc4[nH]3)cs2)o1 587016364 KPDRWGVFZJTPDN-UHFFFAOYSA-N 340.364 4.471 5 1 EIBF Cc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])c1 587507351 CGVDWPPBAWSHFL-IBGZPJMESA-N 337.375 4.489 5 1 EIBF C[C@]1(c2cccc([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 587513882 VAHUHTROWAYNBW-HXUWFJFHSA-N 337.375 4.354 5 1 EIBF CC(C)[C@H](c1nc2ccc([N+](=O)[O-])cc2[nH]1)N(C)C(=O)OC(C)(C)C 587197739 LWSMFPCVVJBTJI-CQSZACIVSA-N 348.403 4.035 5 1 EIBF COc1ccc(Cl)cc1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587280258 PXQGYRFTMQVSSF-UHFFFAOYSA-N 331.711 4.234 5 1 EIBF Nc1ccccc1-c1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 587249910 RRERUYLLCQLUAA-UHFFFAOYSA-N 330.347 4.387 5 1 EIBF COc1ccc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c(C(F)(F)F)c1 587097245 HKAWXCYOLAVSSY-UHFFFAOYSA-N 337.257 4.166 5 1 EIBF O=C(O)Cc1c(-c2ccc(F)c(Cl)c2)[nH]c2cccc([N+](=O)[O-])c12 587646667 ZVMPWTJSZOXXLR-UHFFFAOYSA-N 348.717 4.163 5 1 EIBF CCCCOc1c2cc([N+](=O)[O-])ccc2nn1Cc1ccccc1 95580038 ZKXDTKSYTOWFQM-UHFFFAOYSA-N 325.368 4.172 5 1 EIBF CN(C)CCCNc1c2nc3ccccc3c-2n(C)c2ccccc12 169721009 ZKDHOJPLQZBKOZ-UHFFFAOYSA-N 332.451 4.195 5 1 EIBF COc1ccc(CC(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1C 587279023 DOMHGBXSWULMTL-UHFFFAOYSA-N 325.320 4.083 5 1 EIBF O=[N+]([O-])c1cc(Cl)ccc1[C@@H]1c2c(F)cccc2C[C@@H]2CCCN21 963101389 RHFJKTPDJSBSMO-SCLBCKFNSA-N 346.789 4.497 5 1 EIBF N=C(Nc1ccccc1)Nc1cccc(Cc2ccc([N+](=O)[O-])cc2)n1 45325131 FFBIKNZAWMNQAH-UHFFFAOYSA-N 347.378 4.039 5 1 EIBF CCCCn1c(/C=C/c2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O 299864444 RGCXMUHFQDONHM-VAWYXSNFSA-N 349.390 4.275 5 1 EIBF Cc1cc2[nH]c([C@@H]3C[C@@H]3c3cccc(F)c3F)nc2cc1[N+](=O)[O-] 587153232 XFYVPAASVMDAOF-GHMZBOCLSA-N 329.306 4.329 5 1 EIBF C[N+]1(C)[C@@H]2CC[C@@H]1CC(CC(O)(c1ccsc1)c1ccsc1)C2 101420168 GYXKSBFUKPTYKI-QZTJIDSGSA-N 348.557 4.453 5 1 EIBF Cc1ccc(-c2cc(NCc3ccc(F)cc3)ncn2)cc1[N+](=O)[O-] 82161582 ZRYPHOWMBBZNLA-UHFFFAOYSA-N 338.342 4.111 5 1 EIBF O=[N+]([O-])c1cccc2c(-c3ccc(Br)cc3)cc(O)nc12 299865884 OFYOXVHPZBNMGP-UHFFFAOYSA-N 345.152 4.278 5 1 EIBF CCOC(=O)c1c(-c2ccccc2[N+](=O)[O-])[nH]c2cccc(F)c12 587634874 AJIFHVLAYIRNBY-UHFFFAOYSA-N 328.299 4.059 5 1 EIBF Cc1ccc([C@@H](C)[C@H](O)c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1 586893432 ZAZBVYSFEMXSPY-HWPZZCPQSA-N 345.786 4.270 5 1 EIBF O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NC1CCCCC1 45391913 BPONCRGKKXZYJF-UHFFFAOYSA-N 333.266 4.266 5 1 EIBF O=[N+]([O-])c1cc2nc(-c3ccc(C4CCC4)cc3)[nH]c2cc1[N+](=O)[O-] 586881795 VXJXADKMSYBXPF-UHFFFAOYSA-N 338.323 4.314 5 1 EIBF CCCc1c(O)ccc2c1O[C@H](c1ccc([N+](=O)[O-])cc1F)CC2=O 587465665 GWQBXSRFXFMFTN-KRWDZBQOSA-N 345.326 4.099 5 1 EIBF Cc1c(CC[C@@H](C)[N+](=O)[O-])nc2cccc3c2c1-c1ccccc1C3=O 587105058 MOPXPFLTNDNFHT-GFCCVEGCSA-N 346.386 4.352 5 1 EIBF O=c1cc(-c2ccccc2[N+](=O)[O-])oc2ccc(Br)cc12 29555465 GXUSNZYZTBJMIT-UHFFFAOYSA-N 346.136 4.131 5 1 EIBF in-vivo Cc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] 587507350 CGNXXPFXYCAEMX-LJQANCHMSA-N 337.375 4.489 5 1 EIBF O=C1C[C@@H](Cc2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CCCC1 587511091 DEXVTNAZEOREMG-MRXNPFEDSA-N 337.375 4.050 5 1 EIBF C[C@H](c1nc2c3cccnc3c3ncccc3c2[nH]1)n1cc(Cl)cn1 587082157 MALORPLYZSGLIM-SNVBAGLBSA-N 348.797 4.119 5 1 EIBF Oc1c(F)cc(F)cc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587133827 BXMDHEPBBRMSDR-UHFFFAOYSA-N 348.312 4.310 5 1 EIBF O=[N+]([O-])c1cccc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c12 587174931 OIFBHZKBTNVUEP-UHFFFAOYSA-N 330.706 4.412 5 1 EIBF O=c1[nH]ccc2c3[nH]c(-c4ccccc4)nc3c3ccc(F)cc3c12 28955731 RKEVLNISIKYNSD-UHFFFAOYSA-N 329.334 4.364 5 1 EIBF CC(C)(C)c1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1O 45349352 SCIXTMQLHIMUID-UHFFFAOYSA-N 329.356 4.242 5 1 EIBF CC(=O)c1ccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 587048348 SYBQORCDFRKYMV-XVNBXDOJSA-N 341.754 4.498 5 1 EIBF O=[N+]([O-])c1cc(Cl)ccc1[C@H]1c2c(F)cccc2C[C@@H]2CCCN21 963101392 RHFJKTPDJSBSMO-UGSOOPFHSA-N 346.789 4.497 5 1 EIBF O=[N+]([O-])c1ccc(-n2ccc([C@@H](c3ccccc3)n3ccnc3)c2)cc1 1857555987 CMNAEROYMIKZBP-HXUWFJFHSA-N 344.374 4.220 5 1 EIBF O=[N+]([O-])c1cccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c12 587079228 HRTPLXKVPACHDL-UHFFFAOYSA-N 326.743 4.128 5 1 EIBF CC(C)c1c(N)cc2c(c1[N+](=O)[O-])CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CN 205739856 KETUXRWWAVMPHL-FFZOFVMBSA-N 345.487 4.269 5 1 EIBF Cn1c([N+](=O)[O-])cnc1SCCCCCCCCCCC(=O)O 169347024 UNCHAPNCHYIADN-UHFFFAOYSA-N 343.449 4.016 5 1 EIBF O=[N+]([O-])c1cnc2[nH]c([C@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2c1 587049062 KJIMTMHGJMTWPW-BDAKNGLRSA-N 349.177 4.444 5 1 EIBF O=[N+]([O-])c1cccc(CCc2nc3cc(Cl)c(F)c(F)c3[nH]2)c1 587269298 ABSVYMZAVRPINK-UHFFFAOYSA-N 337.713 4.188 5 1 EIBF CC(C)=CCOc1cc(O)c2c(=O)c3c(O)cc(C)cc3oc2c1 14815324 YCHMIHRTWFOENV-UHFFFAOYSA-N 326.348 4.011 5 1 EIBF biogenic CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1[N+](=O)[O-])CC2=O 587473385 SZUFNDCQLZSONX-IBGZPJMESA-N 341.363 4.134 5 1 EIBF C[C@@]1(c2ccccc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 587509644 IEXAKBJXCHZESF-FQEVSTJZSA-N 337.375 4.354 5 1 EIBF C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@](C)(O)CC[C@@]43C)[C@@H]1CC[C@@H]2[N+](=O)[O-] 261166959 SCLZOWKUTFYLGM-NVDHCXGJSA-N 335.488 4.425 5 1 EIBF Cc1oc(-c2nc3c(C)cc(Br)cc3[nH]2)cc1[N+](=O)[O-] 587268563 DSVVPBGYZXCVFD-UHFFFAOYSA-N 336.145 4.110 5 1 EIBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(Cl)cc([N+](=O)[O-])c1)O2 587378745 PMBXHFSCSAIGRX-QGZVFWFLSA-N 346.770 4.019 5 1 EIBF CN(C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccc2c(c1)OCCC2 1772592989 UUAVVFFHXQYTIP-QPJJXVBHSA-N 338.407 4.065 5 1 EIBF COc1cc(OCc2nc3cc(C)c(Cl)cc3[nH]2)ccc1[N+](=O)[O-] 587262926 ILXGTCRVGMOFPE-UHFFFAOYSA-N 347.758 4.021 5 1 EIBF CC[C@]1(CC[C@@H](C)[N+](=O)[O-])c2cc(OC)ccc2CCN1C(C)C 962086696 CSNGPNCEWIVBHJ-BEFAXECRSA-N 334.460 4.012 5 1 EIBF c1ccc(N2CCN(c3nc4ccccc4c4ccccc34)CC2)nc1 103264604 PJKZWTKAGJRJFY-UHFFFAOYSA-N 340.430 4.110 5 1 EIBF COc1ccc(OCCCCCCCc2cc(C)no2)c([N+](=O)[O-])c1 27861159 KTYSFCFZRLZNPL-UHFFFAOYSA-N 348.399 4.472 5 1 EIBF C[C@H](c1nc2cc3nc4ccccc4nc3cc2[nH]1)n1cc(Cl)cn1 587082804 WXFAIFJZVWSTFI-SNVBAGLBSA-N 348.797 4.119 5 1 EIBF Cc1ccc(C(=O)Oc2cc(O)c3c(=O)c4ccccc4oc3c2)cc1 653716288 QURPZMUFTWHEOW-UHFFFAOYSA-N 346.338 4.179 5 1 EIBF O=C(O)c1cc(=O)c2c(ccc3sc4c(Cl)cccc4c32)[nH]1 169319947 NFPGXNZNFNSGGY-UHFFFAOYSA-N 329.764 4.248 5 1 EIBF O=C(O)c1cc(=O)c2c(cc(Cl)c3sc4ccccc4c32)[nH]1 169319952 CWUJTYLBGZOKOZ-UHFFFAOYSA-N 329.764 4.248 5 1 EIBF O=C(c1cc(Cl)ccc1[N+](=O)[O-])c1coc2cc([N+](=O)[O-])ccc12 587280162 LYWBOGJKEPNYHN-UHFFFAOYSA-N 346.682 4.134 5 1 EIBF O=[N+]([O-])c1cc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2cc1F 587966474 HWZNPNGCLQBHCR-UHFFFAOYSA-N 327.359 4.450 5 1 EIBF Cc1oc(-c2ccsc2)nc1Cc1nc2ccc([N+](=O)[O-])cc2[nH]1 587027250 SRWZZNLQYOOOTC-UHFFFAOYSA-N 340.364 4.087 5 1 EIBF Cc1ccc(-c2noc(-c3c(C)[nH]c4cccc([N+](=O)[O-])c34)n2)cc1 587649701 XLUBWYLNTPWJIC-UHFFFAOYSA-N 334.335 4.410 5 1 EIBF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587927347 PNQGKBKBGFSYJD-ZDUSSCGKSA-N 341.367 4.030 5 1 EIBF Cc1c(CO)c(-c2ccc([N+](=O)[O-])cc2)c(C)n1Cc1ccccc1 82157732 GGFDZIYIMIQGQP-UHFFFAOYSA-N 336.391 4.221 5 1 EIBF CCC[N+]12CCC(C(O)(c3ccccc3)c3ccccc3)(CC1)CC2 40952409 FKOCUINLFFLKCK-UHFFFAOYSA-N 336.499 4.333 5 1 EIBF O=[N+]([O-])c1ccc(Cl)nc1Nc1ccc(OC(F)(F)F)cc1 84742171 NDFFSLCKTVSNMB-UHFFFAOYSA-N 333.653 4.285 5 1 EIBF C[N+]1(C)CCC[C@@H]1[C@@H]1CSC(c2ccccc2)(c2ccccc2)O1 35273602 AFLBGAQHDSOPKA-UXHICEINSA-N 340.512 4.259 5 1 EIBF O=[N+]([O-])c1cc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2cc1F 587150780 FFVITNQULOFVTG-BDAKNGLRSA-N 333.269 4.160 5 1 EIBF O=C(O)CCc1c(-c2ccc(Cl)cc2)[nH]c2cccc([N+](=O)[O-])c12 587644612 HTBVINPSPMSXJH-UHFFFAOYSA-N 344.754 4.414 5 1 EIBF OC(c1ccccc1)(c1ccccc1)C12CC[N+](CC3CC3)(CC1)CC2 40428663 YPUAAUYYFSPUHN-UHFFFAOYSA-N 348.510 4.333 5 1 EIBF Oc1c(F)cc(F)cc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587134007 HOLHJJCBHNPODS-UHFFFAOYSA-N 348.312 4.310 5 1 EIBF O=[N+]([O-])c1cccc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c12 586894653 AHYINQPGLIIFAU-UHFFFAOYSA-N 345.358 4.297 5 1 EIBF O=[N+]([O-])c1cc2nc(-c3ncsc3-c3ccccc3)[nH]c2cc1F 587028003 LOZWGIODODNRGO-UHFFFAOYSA-N 340.339 4.401 5 1 EIBF Nc1nc(-c2cccc([N+](=O)[O-])c2)cc(-c2cccc3ccccc23)n1 28707222 FSOIHOIOSOLAHU-UHFFFAOYSA-N 342.358 4.454 5 1 EIBF COc1ccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 44881961 YAKOIXCSPBCSII-XVNBXDOJSA-N 329.743 4.304 5 1 EIBF COc1cccc(CNc2ccnc3[nH]c4ccc([N+](=O)[O-])cc4c23)c1 1857759487 KDZRBSFVKQWODV-UHFFFAOYSA-N 348.362 4.245 5 1 EIBF CN(C)CCn1c2ccc3ccccc3c2c2nc3ccccc3nc21 66074080 RKXGXOAZLXFWCB-UHFFFAOYSA-N 340.430 4.453 5 1 EIBF CC[C@]1(C)C=Cc2c(cc(OC)c3c(=O)c4ccccc4n(C)c23)O1 5499975 PKUQXCJIJWWZFK-OAQYLSRUSA-N 335.403 4.275 5 1 EIBF C[n+]1c2ccccc2c(Nc2cccnc2)c2[nH]c3ccccc3c21 64559900 AYZFGCSUHYJNGL-UHFFFAOYSA-O 325.395 4.437 5 1 EIBF CCCC(Br)(CCC)c1nc2cncc([N+](=O)[O-])c2[nH]1 586970449 DYFUJCKZZLKJET-UHFFFAOYSA-N 341.209 4.057 5 1 EIBF O=C(c1csc(C(F)(F)F)n1)c1coc2cc([N+](=O)[O-])ccc12 587280298 RPJKPUIIWKJTBU-UHFFFAOYSA-N 342.254 4.047 5 1 EIBF O=[N+]([O-])c1cc([C@@H]2SCc3nc4ccccc4n32)ccc1Cl 12942502 MOUAFIJXFJXMHU-HNNXBMFYSA-N 331.784 4.392 5 1 EIBF Cc1ccccc1Nc1c(-c2ccc([N+](=O)[O-])cc2)nc2cnccn12 200594 ZTSTUFHKJVWGIG-UHFFFAOYSA-N 345.362 4.357 5 1 EIBF COc1ccc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2c1 587269892 ILKDCLNEQKVITI-UHFFFAOYSA-N 346.346 4.209 5 1 EIBF COc1c(C)c(C=CC(C)=Cc2ccc([N+](=O)[O-])cc2)oc(=O)c1C 2356872353 ALSKMEGPUHHNOM-UHFFFAOYSA-N 341.363 4.290 5 1 EIBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(F)cc(F)c3[nH]2)c1 587269318 LDEFSLNPGYDCAO-UHFFFAOYSA-N 344.321 4.017 5 1 EIBF Cc1ccc([N+](=O)[O-])cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587511063 CWTYYYGMFSTDLF-IBGZPJMESA-N 337.375 4.489 5 1 EIBF CCCCCN[P@@](=O)(OCC)Oc1ccc(C)cc1[N+](=O)[O-] 72124533 QYRKNKYSZHWRIN-JOCHJYFZSA-N 330.321 4.206 5 1 EIBF O[C@]1(c2ccc3c(ccc4ccccc43)c2)CN2CCCC[C@@H]2CO1 473124737 WWFNMPJZMWZKDY-DENIHFKCSA-N 333.431 4.023 5 1 EIBF Oc1cccc(CCc2nc3c4cccnc4c4ncccc4c3[nH]2)c1 586896549 TVVDCHMGVDRMPJ-UHFFFAOYSA-N 340.386 4.150 5 1 EIBF C[C@@]1(c2cc([N+](=O)[O-])c(Cl)s2)NCCc2cc(Cl)ccc21 963381359 VYMBLMQXMJJQSZ-CQSZACIVSA-N 343.235 4.372 5 1 EIBF CC1(C)CCOc2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc21 1857649091 AQIMAXIDZNCAMC-UHFFFAOYSA-N 341.367 4.299 5 1 EIBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(F)cnc2[nH]1 586968272 BBLXYYOMYVKHLG-UHFFFAOYSA-N 346.387 4.420 5 1 EIBF COc1ccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c(C(F)(F)F)c1 587096895 DNVHHIGIRMJQHB-UHFFFAOYSA-N 337.257 4.166 5 1 EIBF Cc1ccc(C)c2[nH]c(-c3cc([N+](=O)[O-])ccc3N3CCCC3)nc12 587268780 FKUHTMJCCMVKRA-UHFFFAOYSA-N 336.395 4.355 5 1 EIBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Cl)c([N+](=O)[O-])c1)O2 587376139 QEGOVMMPJNRHTK-QGZVFWFLSA-N 346.770 4.019 5 1 EIBF COc1c(OCC=C(C)C)c(C)cc2oc3cccc(O)c3c(=O)c12 2356786287 ZSDSOYQGZQOBBE-UHFFFAOYSA-N 340.375 4.314 5 1 EIBF O=C(O)c1cc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2-c2ccccc2)c[nH]1 587649040 OFEYQRHQHZPFHL-UHFFFAOYSA-N 347.330 4.436 5 1 EIBF C[C@H](Oc1ccc2ccccc2c1)c1nc2cncc([N+](=O)[O-])c2[nH]1 587951808 SBVHORFBVXCIFD-NSHDSACASA-N 334.335 4.159 5 1 EIBF O=[N+]([O-])c1ccc(Cc2cccnc2)c(OCCc2ccccc2)c1 299855502 BFRUEBOGSICGKZ-UHFFFAOYSA-N 334.375 4.202 5 1 EIBF O=[N+]([O-])c1ccc(OCCCOc2ccc(-n3cccc3)cc2)cc1 473115499 TUQFXURKGAQBAA-UHFFFAOYSA-N 338.363 4.233 5 1 EIBF O=C(COc1ccc([N+](=O)[O-])cc1)c1coc2ccc(Cl)cc12 587276428 OOFZNDFLOSGFHE-UHFFFAOYSA-N 331.711 4.256 5 1 EIBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(Cl)cc([N+](=O)[O-])c1)O2 587378742 PMBXHFSCSAIGRX-KRWDZBQOSA-N 346.770 4.019 5 1 EIBF C[C@@H](C(=O)O)c1c(-c2cccc(F)c2)[nH]c2cc([N+](=O)[O-])ccc12 587646295 ZMGZBUAEBSDKDU-SECBINFHSA-N 328.299 4.070 5 1 EIBF O[C@@]1(c2ccc3c(ccc4ccccc43)c2)CN2CCCC[C@H]2CO1 473124742 WWFNMPJZMWZKDY-UGKGYDQZSA-N 333.431 4.023 5 1 EIBF Cc1ccc(-c2nc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)cs2)o1 587016097 GHYNYGXQRCZTGD-UHFFFAOYSA-N 344.327 4.302 5 1 EIBF CCCc1c(O)ccc2c1O[C@H](c1cc(F)ccc1[N+](=O)[O-])CC2=O 587466680 MBRNTVSVZPOIGP-KRWDZBQOSA-N 345.326 4.099 5 1 EIBF O=[N+]([O-])c1cncc2nc(Cc3ccccc3-c3ccccc3)[nH]c12 587958734 IYCRLOLYISUMRE-UHFFFAOYSA-N 330.347 4.124 5 1 EIBF O=c1[nH]c(NCc2ccccc2)nc2ccc3ccc(Cl)cc3c12 13832483 QWGFWZZQCGAMGN-UHFFFAOYSA-N 335.794 4.342 5 1 EIBF COc1cc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1F 587048568 XMVLTSMDYRDUPJ-HWKANZROSA-N 347.733 4.443 5 1 EIBF O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1oc3ccccc3c21 40822497 LJKKZFJQIHKQPL-UHFFFAOYSA-N 326.311 4.104 5 1 EIBF COc1ccc(-c2oc3ccc4ccccc4c3c(=O)c2O)cc1OC 96283616 ISMDXLAGCDUAEU-UHFFFAOYSA-N 348.354 4.336 5 1 EIBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cccc(F)c2[nH]1 587110103 SILGHOVNLJEYQM-UHFFFAOYSA-N 339.248 4.220 5 1 EIBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1[C@@H]1CCCN1C(=O)OC(C)(C)C 587649405 UOQHOVWOQGQZMO-HNNXBMFYSA-N 345.399 4.457 5 1 EIBF O=C(O)c1nc2ccccc2c2[nH]c3c(Br)cccc3c12 473108868 PCUWPDUAQBAWHT-UHFFFAOYSA-N 341.164 4.330 5 1 EIBF Cc1cc(N(C)Cc2nc3cc(C)c(F)cc3[nH]2)c([N+](=O)[O-])cc1F 587136974 MRPUVFJIOGJOAD-UHFFFAOYSA-N 346.337 4.003 5 1 EIBF CCCOc1cccc(Cc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c1 587779281 XSOIFXKFLXCMFT-UHFFFAOYSA-N 325.368 4.159 5 1 EIBF O=[N+]([O-])c1cncc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c12 587962753 XIVRHGFQFOZUIS-UHFFFAOYSA-N 330.347 4.124 5 1 EIBF C[C@H](C(=O)O)c1c(-c2ccccc2F)[nH]c2cc([N+](=O)[O-])ccc12 587645877 NFAMALHGNJFPBF-VIFPVBQESA-N 328.299 4.070 5 1 EIBF O=[N+]([O-])c1cccc(-c2nc(-c3cccnc3)cc3cccnc23)c1 13805269 FSRCBTSVLQDXOV-UHFFFAOYSA-N 328.331 4.267 5 1 EIBF CCn1c(-c2ccc(OC)cc2)c([N+](=O)[O-])c2ccc(OC)cc21 96908668 ZCPPPSCAHCEACI-UHFFFAOYSA-N 326.352 4.254 5 1 EIBF COc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1O 169544821 TWLWSVJREFONKJ-UHFFFAOYSA-N 342.358 4.041 5 1 EIBF CN1C[C@](O)(c2ccc3c(ccc4ccccc43)c2)O[C@H]2CCCC[C@@H]21 473118782 LMKBZJWIOPGNSG-RJGXRXQPSA-N 347.458 4.411 5 1 EIBF COC(=O)Cc1c(-c2ccc(Cl)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587644897 QICMUEDATBZGMF-UHFFFAOYSA-N 344.754 4.112 5 1 EIBF O=[N+]([O-])c1ccc2[nH]c(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)nc2c1 57825777 WKLRRMONUXXHQT-QHHAFSJGSA-N 344.714 4.203 5 1 EIBF Cc1ccc(-c2nc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)cs2)o1 587017353 UTIIPLOWXMMGTJ-UHFFFAOYSA-N 326.337 4.163 5 1 EIBF Cc1cc2[nH]c(Cn3ccc4ccc(Cl)cc43)nc2cc1[N+](=O)[O-] 587078745 AVHDZVCWQPGBTH-UHFFFAOYSA-N 340.770 4.436 5 1 EIBF Cc1c(O)c(Cl)c(C)c2c1c(=O)oc1c(Cl)c(O)ccc12 28571350 OZHCNLHMTXQNEO-UHFFFAOYSA-N 325.147 4.281 5 1 EIBF CCc1ccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1Br 586977310 KXTAZNLRHSVJLR-UHFFFAOYSA-N 346.184 4.463 5 1 EIBF Cc1ncsc1CCc1nc2cc3nc4ccccc4nc3cc2[nH]1 587027342 CBFZWZYQAVEHTF-UHFFFAOYSA-N 345.431 4.209 5 1 EIBF CC[C@@]1(CC[C@@H](C)[N+](=O)[O-])c2cc(OC)ccc2CCN1C(C)C 962086710 CSNGPNCEWIVBHJ-DNVCBOLYSA-N 334.460 4.012 5 1 EIBF O=[N+]([O-])c1ccc(C2=NO[C@@H](c3ccc(-c4ccncc4)cc3)C2)o1 1772584827 VVHHGIYSDATJJI-QGZVFWFLSA-N 335.319 4.116 5 1 EIBF CCCCN(C)CCn1c2ccccc2c2nc3ccccc3nc21 31847958 DWBQUZIAACIGIU-UHFFFAOYSA-N 332.451 4.470 5 1 EIBF C[N+](C)(C)C[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1COC(=O)Nc1ccc(Cl)cc1 169336786 WDRQUQMYUBFLEZ-LBTBCDHLSA-O 349.882 4.033 5 1 EIBF O=[N+]([O-])c1ccc(C[n+]2ccc3ccnc4c3c2-c2ccccc2-4)cc1 1772605150 YWGDCHBGZVMABL-UHFFFAOYSA-N 340.362 4.126 5 1 EIBF CC1(C)Cc2cnn(-c3ccc(F)cc3)c2-c2cc([N+](=O)[O-])ccc21 84617713 MYNGOLXEMAECPH-UHFFFAOYSA-N 337.354 4.420 5 1 EIBF O=[N+]([O-])c1cc(/C=C/c2nc3ccnc(Cl)c3[nH]2)ccc1Cl 587047782 NDPQEZZZIPBCHQ-DUXPYHPUSA-N 335.150 4.343 5 1 EIBF NC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12 66104860 JPYQFPGTGGLOMD-UHFFFAOYSA-N 348.793 4.279 5 1 EIBF C[C@@](C(=O)O[C@@H]1C[C@@H]2CC[C@H]1[N+]2(C)C)(c1ccccc1)C1CCCC1 169702548 QFJDHDDFPKAMOX-GPQLQYNLSA-N 342.503 4.057 5 1 EIBF Cc1cc(N(C)Cc2nc3ccc(F)c(C)c3[nH]2)c([N+](=O)[O-])cc1F 587136617 HIKQZFXXSRIFEU-UHFFFAOYSA-N 346.337 4.003 5 1 EIBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)NC1CCCCCCC1 587647057 NYLTYZVWBDPMEP-UHFFFAOYSA-N 329.400 4.227 5 1 EIBF O=[N+]([O-])c1ccc(C2=NO[C@@H](c3ccc(N4CCCCC4)cc3)C2)o1 28961959 YSBMULXISDQRJU-QGZVFWFLSA-N 341.367 4.044 5 1 EIBF O=c1c2cc3c(cc2c2ccccc2n1CCc1ccccc1)OCO3 95563418 IYJJHCQITZCPLK-UHFFFAOYSA-N 343.382 4.126 5 1 EIBF O=[N+]([O-])c1cccc(Cn2c(-c3cscn3)nc3ccccc32)c1 473134967 KGENDYSSTCNTDT-UHFFFAOYSA-N 336.376 4.116 5 1 EIBF C[C@]12CC=C(C[N+](=O)[O-])C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@@H]12 2356818546 ZINUHMYIMBDCGQ-BUJXUYPKSA-N 331.456 4.411 5 1 EIBF Cc1ccc([N+](=O)[O-])c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587507304 BUTIEXDMBTWOOO-IBGZPJMESA-N 337.375 4.489 5 1 EIBF O=[N+]([O-])c1ccc2[nH]c(-c3nc(-c4ccc(Cl)cc4)no3)cc2c1 64491913 XWRVEKAYDUDZBJ-UHFFFAOYSA-N 340.726 4.447 5 1 EIBF O=[N+]([O-])c1ccc2c(O)c(-c3ccc(Br)cc3)[nH]c2c1 587644198 PMBSVEHLELIWHX-UHFFFAOYSA-N 333.141 4.211 5 1 EIBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(Cl)cc3[nH]2)c1 587261732 HJUGQKIMJDLDAD-UHFFFAOYSA-N 331.759 4.054 5 1 EIBF O=c1nc2oc3ccc4ccccc4c3cc-2c(=O)n1C1CCCCC1 95552679 BMOMWOOGZDLKOU-UHFFFAOYSA-N 346.386 4.113 5 1 EIBF CC(=O)Oc1c(-c2ccc(Cl)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587644877 PMLNNKHLAGVWOE-UHFFFAOYSA-N 330.727 4.322 5 1 EIBF Cc1ncsc1-c1c[nH]cc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587027791 GXPQLNUNEPBGGD-UHFFFAOYSA-N 343.343 4.037 5 1 EIBF CC[C@]12CCC[N+]3([O-])CCc4c(n(c5ccccc45)[C@H](OC)C1)[C@H]23 49050245 KFAHAKAGWDLBIH-VIXCBWPKSA-N 326.440 4.292 5 1 EIBF O=[N+]([O-])c1ccc(C2=NO[C@@H]3CCCCC[C@H]23)c(C(F)(F)F)c1 95580591 YLOOXUHFJVFILH-WCQYABFASA-N 328.290 4.297 5 1 EIBF O=[N+]([O-])c1cc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2cc1Cl 587085204 ZVEUWFHVWJVSES-UHFFFAOYSA-N 349.177 4.253 5 1 EIBF O=C(CCCCCCN(Cc1ccccc1)Cc1ccccc1)NO 201617951 DTZPKSVXYRJCGJ-UHFFFAOYSA-N 340.467 4.145 5 1 EIBF COc1ccccc1Sc1cc(O)nc2c([N+](=O)[O-])cccc12 299860853 HIPLDHFBRWTTFZ-UHFFFAOYSA-N 328.349 4.008 5 1 EIBF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587929855 NEIYDFNGLPCHAZ-ADLMAVQZSA-N 341.342 4.064 5 1 EIBF O=[N+]([O-])c1cc([C@@H]2C3=C(O)CCCC3=Nc3ccnn32)ccc1Cl 100788560 LWBSELWXKKHESG-MRXNPFEDSA-N 344.758 4.116 5 1 EIBF O=[N+]([O-])c1cnc2[nH]c(/C=C\c3cccc(Cl)c3Cl)nc2c1 587055090 RITQWGOUDDJUDM-PLNGDYQASA-N 335.150 4.343 5 1 EIBF O=[N+]([O-])c1cc(F)cc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 587160502 UCQIJHQMPBBCML-UHFFFAOYSA-N 343.211 4.435 5 1 EIBF CCCc1c(O)ccc2c1O[C@H](c1ccc([N+](=O)[O-])c(F)c1)CC2=O 587466991 OYYANLDVEIYYBE-KRWDZBQOSA-N 345.326 4.099 5 1 EIBF C[C@@H]1N[C@H](c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2NC1=S 29125389 GIJVFXLLTGATJD-BJOHPYRUSA-N 347.827 4.069 5 1 EIBF COc1c(C(N)=O)c2c3ccccc3[nH]c2c2c1c1ccccc1n2C 45340155 MPIGOIIVJVSCTB-UHFFFAOYSA-N 343.386 4.074 5 1 EIBF O=c1cc(NC[C@@H](O)c2ccccc2)oc2c1ccc1ccccc12 138469383 QXNQTCFBVPDGBA-LJQANCHMSA-N 331.371 4.092 5 1 EIBF O=[N+]([O-])c1cnc2[nH]c(Cc3ccccc3-c3ccccc3)nc2c1 587958740 JBTVFBFDAVJJEH-UHFFFAOYSA-N 330.347 4.124 5 1 EIBF C[N+](C)(C)C[C@@H]1COC[C@H](c2ccc(Sc3ccccc3)cc2)O1 1911578610 SSDALIWKSYHGQX-YLJYHZDGSA-N 344.500 4.001 5 1 EIBF Cc1cc2cc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4[nH]3)ccc2[nH]1 48321691 LIXGFCJHDAJMAR-UHFFFAOYSA-N 334.335 4.118 5 1 EIBF NC(=O)c1ccc2nc(Nc3cccc(Cl)c3)c3ccncc3c2c1 73169601 CGKRFSJIEAWXSY-UHFFFAOYSA-N 348.793 4.279 5 1 EIBF COc1ccc(NC(C)(C)c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1 587201145 HPHLKABSKPBMNQ-UHFFFAOYSA-N 340.383 4.135 5 1 EIBF Cc1c(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)cccc1[N+](=O)[O-] 587261082 SFMWTJUEDSEBRJ-UHFFFAOYSA-N 337.257 4.345 5 1 EIBF C[C@H](N1Cc2c(cccc2[N+](=O)[O-])C1=O)C12CC3CC(CC(C3)C1)C2 1857756617 BNDAWLDNWGHBRW-PGBBXINNSA-N 340.423 4.156 5 1 EIBF COc1ccc(C[C@@H]2c3c(Cl)cccc3CC[N+]2(C)C)cc1OC 13648606 HXAJABXJNSFXGJ-QGZVFWFLSA-N 346.878 4.274 5 1 EIBF Nc1ccc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccccc1 49088177 CUPGOCIGDONGNB-UHFFFAOYSA-N 333.347 4.096 5 1 EIBF O=[N+]([O-])c1ccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2c1 587131807 USPPZHNMDIEUKK-UHFFFAOYSA-N 329.306 4.353 5 1 EIBF O=C(c1ccc(F)cc1)c1c(C(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587646330 OFPHWZUETYAYCC-UHFFFAOYSA-N 334.253 4.384 5 1 EIBF CC[C@H](Oc1ccccc1)C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279597 NCHHEVKNPXJMNE-INIZCTEOSA-N 325.320 4.381 5 1 EIBF O=C1C[C@@]2(CCc3ccc([N+](=O)[O-])cc32)Oc2c1ccc1c2CCCC1 587511030 CVJGXQFPLRTNFV-OAQYLSRUSA-N 349.386 4.281 5 1 EIBF O=C(O)Cc1c(-c2ccc(Cl)c(F)c2)[nH]c2cc([N+](=O)[O-])ccc12 587645473 BNXMDSFZWBLPLR-UHFFFAOYSA-N 348.717 4.163 5 1 EIBF O=[N+]([O-])c1ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2c1 587021577 MFQCKBSMHPJJOT-UHFFFAOYSA-N 336.376 4.185 5 1 EIBF CCOC(=O)c1nccc2c(C)c3c(cc12)c1cc(O)ccc1n3C 26494212 UUCZWCYFBWQUPA-UHFFFAOYSA-N 334.375 4.070 5 1 EIBF C[C@]12CC=C(C[N+](=O)[O-])C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)CC[C@H]12 2356842472 DTXNPOBNJOPXJO-FLIUJYPFSA-N 333.472 4.203 5 1 EIBF Cc1ccc(Cc2nc3cccc([N+](=O)[O-])c3[nH]2)cc1C(F)(F)F 587095498 HCULAQQVGCTRIA-UHFFFAOYSA-N 335.285 4.389 5 1 EIBF CCOC(=O)c1c(-c2ccc(F)c(F)c2)[nH]c2cc([N+](=O)[O-])ccc12 587645409 ARGUOQWVYLLOEM-UHFFFAOYSA-N 346.289 4.198 5 1 EIBF Cc1cc2[nH]c(Cc3csc(-c4ccco4)n3)nc2cc1[N+](=O)[O-] 587016860 FDVHVKWWVFWTCE-UHFFFAOYSA-N 340.364 4.087 5 1 EIBF Cc1cccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c12 587109823 OAZALIKJIRHHOU-UHFFFAOYSA-N 335.285 4.389 5 1 EIBF O=c1cc(C[C@H]2NCCc3ccccc32)c2ccc3ccccc3c2o1 64552870 SLSOWZHTNYTZBQ-OAQYLSRUSA-N 341.410 4.376 5 1 EIBF COc1ccc2c3c(c4cc(OC)c(O)cc4c2c1)C[C@H]1CCCN1C3 28817923 YGIJCEZNLVPDPL-CYBMUJFWSA-N 349.430 4.236 5 1 EIBF CCC(C)(C)c1ccc(OCc2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 587565627 NXBPCAQQZPUAQO-UHFFFAOYSA-N 340.383 4.133 5 1 EIBF Cc1ccc(Nc2nnc(-c3cccc([N+](=O)[O-])c3)s2)c(C)c1 64437116 CTOGFUZRYLCBRJ-UHFFFAOYSA-N 326.381 4.474 5 1 EIBF Cc1cc(Cc2nc3cccc([N+](=O)[O-])c3[nH]2)ccc1Br 586976458 LJRSYYCWFHIKIW-UHFFFAOYSA-N 346.184 4.133 5 1 EIBF O=C(c1cnc(-c2ccccc2)nc1)c1coc2cc([N+](=O)[O-])ccc12 587279016 DJAPZUZIKOJBAP-UHFFFAOYSA-N 345.314 4.029 5 1 EIBF C[C@@H](C(=O)O)c1c(-c2cccc(F)c2)[nH]c2cccc([N+](=O)[O-])c12 587645797 KHODGKSAFOANRV-SECBINFHSA-N 328.299 4.070 5 1 EIBF O=c1cc(-c2ccco2)oc2cc3oc(-c4ccco4)cc(=O)c3cc12 103176773 LYQSLTQPACQRBS-UHFFFAOYSA-N 346.294 4.419 5 1 EIBF Cc1cc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2cc1Cl 587151969 WIEMUNRVKPFYCP-UHFFFAOYSA-N 335.722 4.151 5 1 EIBF Cc1c(-c2c[nH]c3ccc([N+](=O)[O-])cc23)[nH]c2cccc([N+](=O)[O-])c12 587647775 PHGVHVGVJFQFEX-UHFFFAOYSA-N 336.307 4.441 5 1 EIBF Cc1ccc(CSCCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1 586971548 UHOSVZICCFZKIU-UHFFFAOYSA-N 345.399 4.395 5 1 EIBF Cc1cc(F)c2[nH]c(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])nc2c1 587137189 SESFFGWZOQJBKM-UHFFFAOYSA-N 346.337 4.003 5 1 EIBF O=C(O)C(=O)c1c2[nH]c3ccccc3c2cc2[nH]c3ccccc3c12 14585607 WHEPTQIRTYUHFN-UHFFFAOYSA-N 328.327 4.223 5 1 EIBF biogenic CN1[C@H]2CC[C@@H]1CC(Oc1ccc([N+](=O)[O-])cc1)(c1ccccc1)C2 28875923 BRCANXWYXRAZQA-UFRUDQCGSA-N 338.407 4.126 5 1 EIBF O=C(O)c1[nH]c2ccc(F)c(Cl)c2c1-c1ccccc1[N+](=O)[O-] 587631484 NSCWBAMKPSVOTM-UHFFFAOYSA-N 334.690 4.234 5 1 EIBF Cc1cc(-c2c(-c3ccccc3)c3cc([N+](=O)[O-])ccc3[nH]c2=O)on1 29126708 WUODVVWLDXKMCY-UHFFFAOYSA-N 347.330 4.067 5 1 EIBF C[C@H]1N[C@@H](c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2NC1=S 29125388 GIJVFXLLTGATJD-PSLIRLAXSA-N 347.827 4.069 5 1 EIBF O=[N+]([O-])c1ccccc1C[n+]1ccc(-c2cc3ccccc3o2)cc1 299844709 UTKUZBTZWUTFSL-UHFFFAOYSA-N 331.351 4.344 5 1 EIBF CCCc1c(O)ccc2c1O[C@H](c1ccc([N+](=O)[O-])c(C)c1)CC2=O 587472978 PISQZACXBOALDL-SFHVURJKSA-N 341.363 4.268 5 1 EIBF O=[N+]([O-])c1ccc(-n2nc3cc2Oc2ccc(F)cc2-3)c(Cl)c1 587874272 SBOAPWXXHGJTQU-UHFFFAOYSA-N 331.690 4.346 5 1 EIBF NCCCCCCNCC(=O)Nc1c2ccccc2cc2ccccc12 169331174 HVXCWBLBRWNYLV-UHFFFAOYSA-N 349.478 4.040 5 1 EIBF COc1ccc2c3c(c4cc(OC)c(O)cc4c2c1)CN1CCC[C@@H]1C3 14824801 DACRWRGHESRUQW-CYBMUJFWSA-N 349.430 4.236 5 1 EIBF biogenic,in-vivo COC(=O)c1cccc2nc3cc(C(=O)C4CCCCC4)ccc3nc12 103221449 PYUNPXVKNRFLRJ-UHFFFAOYSA-N 348.402 4.333 5 1 EIBF O=[N+]([O-])c1c(Br)ccc2nc(-c3ccoc3C3CC3)[nH]c12 586900702 DSCZHVQZDHTIHA-UHFFFAOYSA-N 348.156 4.371 5 1 EIBF O=[N+]([O-])c1ccc(-c2ncncc2-c2cccc(C(F)(F)F)c2)o1 1772648005 UVXXUEZLCZTRKV-UHFFFAOYSA-N 335.241 4.331 5 1 EIBF Cc1c2ccncc2c(C)c2c1[nH]c1ccc(CNCCN(C)C)cc12 27198020 PFXHKFIQCWVZGJ-UHFFFAOYSA-N 346.478 4.137 5 1 EIBF CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccc([N+](=O)[O-])cc1 72127513 XFRTYNYJWIERRS-UHFFFAOYSA-N 338.363 4.214 5 1 EIBF CCOC(=O)c1c(-c2cccc(F)c2)[nH]c2cc([N+](=O)[O-])ccc12 587645463 BKFXEJMHSIGVGP-UHFFFAOYSA-N 328.299 4.059 5 1 EIBF C[C@]12CC=C(C[N+](=O)[O-])C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 2356818547 ZINUHMYIMBDCGQ-JMCXLBPQSA-N 331.456 4.411 5 1 EIBF CN(C)CCNc1c2cc(Cl)ccc2nc2[nH]c3ccccc3c12 40402684 JNKFGADRRJRNOE-UHFFFAOYSA-N 338.842 4.496 5 1 EIBF O=C(O)c1ccc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2c1 587265601 RGIORXDRHDIXOZ-UHFFFAOYSA-N 349.302 4.096 5 1 EIBF O=[N+]([O-])c1cc2nc(-c3ncccc3C(F)(F)F)[nH]c2cc1Cl 587108384 LMVXPZJUQBRCLK-UHFFFAOYSA-N 342.664 4.205 5 1 EIBF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587927346 PNQGKBKBGFSYJD-CYBMUJFWSA-N 341.367 4.030 5 1 EIBF CCCCCc1cn(-c2ccc(CC[N+]3(C)CCCCC3)cc2)nn1 103275273 AMHUREWUXZPCFN-UHFFFAOYSA-N 341.523 4.173 5 1 EIBF O=[N+]([O-])c1cccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c12 587131326 FCSOKKFLHBJSED-UHFFFAOYSA-N 329.306 4.353 5 1 EIBF O=[N+]([O-])c1cc(/C=C/c2nc3cc(Cl)ncc3[nH]2)ccc1Cl 587047813 NYCBTTXVOUMCGE-DUXPYHPUSA-N 335.150 4.343 5 1 EIBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(F)c([N+](=O)[O-])c1)CC2=O 587465126 AXJYWIRSUYAUMA-QGZVFWFLSA-N 345.326 4.099 5 1 EIBF Cc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(F)(F)F)o1 587644837 CXLAFAATOMDQJP-UHFFFAOYSA-N 338.241 4.390 5 1 EIBF Cc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(F)F)cc1 587646168 KTXNTSMSORIHLP-UHFFFAOYSA-N 330.290 4.499 5 1 EIBF O=[N+]([O-])c1cc(Cl)ccc1[C@@H]1c2c(F)cccc2C[C@H]2CCCN21 963101387 RHFJKTPDJSBSMO-FZKQIMNGSA-N 346.789 4.497 5 1 EIBF CCOc1cc(C=O)c2c(ccc3ccc(OC)c(OC)c32)c1OC 1611793 SYZUCTPMCOIUMC-UHFFFAOYSA-N 340.375 4.230 5 1 EIBF Cc1ccc(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1C(F)(F)F 587095570 LEVUKLOPZKKWNI-UHFFFAOYSA-N 335.285 4.389 5 1 EIBF CNC(=O)c1cccc2c1nc(Nc1ccccc1F)c1ccncc12 73159428 RCBCKGFUIXSXGK-UHFFFAOYSA-N 346.365 4.025 5 1 EIBF COc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2-c2ccncn2)cc1 587648433 DSSUFDWDAHLXCW-UHFFFAOYSA-N 346.346 4.209 5 1 EIBF COc1c(C)c(C=CC(C)=Cc2ccc([N+](=O)[O-])cc2)oc(=O)c1C 2356868747 ALSKMEGPUHHNOM-UHFFFAOYSA-N 341.363 4.290 5 1 EIBF COc1ccc2[nH]c3c(C)c4ccnc(NCCCN)c4c(C)c3c2c1 28225299 LZXFTRLKBYMANY-UHFFFAOYSA-N 348.450 4.255 5 1 EIBF Nc1ccc(/C=C\c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 587251879 NYARBIZASVLXGZ-YFHOEESVSA-N 337.386 4.412 5 1 EIBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3c(C)ccc(C)c3[nH]2)c1 587261865 JFYLLFMAMJEQCR-UHFFFAOYSA-N 325.368 4.018 5 1 EIBF CC(C)c1cc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c(O)c(C(C)C)c1 586897130 YCUMXZBTKPQEHY-UHFFFAOYSA-N 340.383 4.486 5 1 EIBF C[N+](C)(N)CCCN1c2ccccc2Sc2ccc(Cl)cc21 28246294 CSUMXQFRJKILGE-UHFFFAOYSA-N 334.896 4.283 5 1 EIBF O=[N+]([O-])c1ccc(-c2cc(-c3ccc(Br)cc3)n[nH]2)cc1 49112314 ZBQHENCJXKUWKK-UHFFFAOYSA-N 344.168 4.414 5 1 EIBF Cc1cc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c2cc1C 587136044 APYVHWATTJAIDU-UHFFFAOYSA-N 342.374 4.172 5 1 EIBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3nccc(Cl)c3[nH]2)o1 587264656 JHRKJJSCDBCWFE-UHFFFAOYSA-N 340.726 4.447 5 1 EIBF Cc1ccnc2c1CCN[C@H]2c1ccc(SC(C)C)c([N+](=O)[O-])c1 963073163 PFVKGFAOHRQTNO-KRWDZBQOSA-N 343.452 4.034 5 1 EIBF O=[N+]([O-])c1cc2nc(-c3cncc(C(F)(F)F)c3)[nH]c2cc1Cl 587115739 ZPOMHWYDIQJLPT-UHFFFAOYSA-N 342.664 4.205 5 1 EIBF Cc1ccc(NC2(c3nc4cncc([N+](=O)[O-])c4[nH]3)CCCC2)cc1 587236688 DZXSAQUWKQEFQF-UHFFFAOYSA-N 337.383 4.056 5 1 EIBF O=[N+]([O-])c1cccc(Nc2nc(-c3ccccc3)nc3ncccc23)c1 1772576956 DIBNMXLBUUGTML-UHFFFAOYSA-N 343.346 4.344 5 1 EIBF C[N+](C)(C)C1CCC(C(O)(c2cccs2)c2cccs2)CC1 2153 VROKFRFJNZCFMH-UHFFFAOYSA-N 336.546 4.311 5 1 EIBF in-man COc1cc2c3c(c4cc(O)ccc4c2cc1OC)C[C@@H]1CCCN1C3 72125855 KPTHFBDKGUGCRU-ZDUSSCGKSA-N 349.430 4.236 5 1 EIBF O=[N+]([O-])c1cc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c2cc1Cl 587961775 UFZUJNZYAXPOSP-RYUDHWBXSA-N 327.771 4.471 5 1 EIBF CC(C)c1cc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c(O)c(C(C)C)c1 586895956 DDCJYYXXASEWDT-UHFFFAOYSA-N 340.383 4.486 5 1 EIBF COc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c([N+](=O)[O-])c1 49072771 DGOGGARUBZDBTI-UHFFFAOYSA-N 338.150 4.454 5 1 EIBF O=C(c1ccc([N+](=O)[O-])c(Cl)c1)c1coc2cc([N+](=O)[O-])ccc12 587280283 RAHZKLOXAQIXIQ-UHFFFAOYSA-N 346.682 4.134 5 1 EIBF Cn1c2c(O)cccc2c(=O)c2c3occc3c3c(c21)C=CC(C)(C)O3 169326104 ODAXTUBDQMPXJB-UHFFFAOYSA-N 347.370 4.328 5 1 EIBF COc1ccc([C@H]2Oc3ccc(Cl)cc3C=C2[N+](=O)[O-])cc1OC 1642819 JVADFMNGKNKTEX-QGZVFWFLSA-N 347.754 4.109 5 1 EIBF C[C@@H](Cn1ccnc1)[C@@H](Oc1ccccc1[N+](=O)[O-])c1ccccc1 45339795 IBYPMLFICCRUPA-HNAYVOBHSA-N 337.379 4.248 5 1 EIBF Nc1ccccc1-c1ccc(-c2nc3c([N+](=O)[O-])cccc3[nH]2)cc1 587249612 PFUYFJMMIIYTLA-UHFFFAOYSA-N 330.347 4.387 5 1 EIBF O=C(O)Cc1c(-c2ccc(Cl)c(F)c2)[nH]c2cccc([N+](=O)[O-])c12 587646224 XOSIAVTYFLZUMA-UHFFFAOYSA-N 348.717 4.163 5 1 EIBF CC[C@@H]1OCCC[C@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1 586908753 DAPINWASFPRMFV-BLVKFPJESA-N 332.407 4.332 5 1 EIBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc([N+](=O)[O-])cc1Cl)O2 587377236 VKKFXWRLLPAHMJ-QGZVFWFLSA-N 346.770 4.019 5 1 EIBF COc1cc(C2(c3nc4cc([N+](=O)[O-])c(C)cc4[nH]3)CC2)ccc1C 587927624 UFOHZOZENZMNST-UHFFFAOYSA-N 337.379 4.176 5 1 EIBF CCCc1c(O)ccc2c1O[C@](C)(c1ccc([N+](=O)[O-])cc1)CC2=O 587468134 BJDQPKMDZKZKJD-IBGZPJMESA-N 341.363 4.134 5 1 EIBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3ccccc3c1[N+](=O)[O-])O2 587388656 FJPOFLKMWZKEPU-SFHVURJKSA-N 348.358 4.345 5 1 EIBF CCCN(CCC)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])o1 28960043 DFVMDUGIFBWANI-UHFFFAOYSA-N 331.372 4.067 5 1 EIBF O=[N+]([O-])c1cc2nc(CCCCc3cccc(O)c3)[nH]c2cc1Cl 586895968 FNZSXCNIDNSLOK-UHFFFAOYSA-N 345.786 4.396 5 1 EIBF O=C(Nc1ccc(-c2ccccc2)cc1[N+](=O)[O-])c1ccccc1O 40934224 OOHAKVXWIBBCMJ-UHFFFAOYSA-N 334.331 4.220 5 1 EIBF Cc1cc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2cc1F 587270452 YIFHHMXCMJFTRY-UHFFFAOYSA-N 340.358 4.186 5 1 EIBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cccnc2[nH]1 586974597 VYOPAZWNMHHMFF-UHFFFAOYSA-N 328.397 4.281 5 1 EIBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccc3c(c2[nH]1)CCCC3 587158823 KAASCSSHPXRBCK-UHFFFAOYSA-N 341.342 4.068 5 1 EIBF O=[N+]([O-])c1ccccc1COc1ccccc1-c1nc2cccnc2o1 1772620815 GIZSPYLZSHLVTB-UHFFFAOYSA-N 347.330 4.377 5 1 EIBF O=[N+]([O-])c1ccc(C2=NO[C@H]3CCCCC[C@@H]23)c(C(F)(F)F)c1 95574896 YLOOXUHFJVFILH-YPMHNXCESA-N 328.290 4.297 5 1 EIBF CCCCn1c(/C=C/c2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O 299862564 NLFMZAUAWDZULP-JLHYYAGUSA-N 349.390 4.275 5 1 EIBF CC(=O)c1nc([N+](=O)[O-])c(NCc2ccc(Cl)c(Cl)c2)s1 1772627678 FUFPOFJRUAOXRH-UHFFFAOYSA-N 346.195 4.173 5 1 EIBF COc1ccc(C[C@H]2c3cccc(Cl)c3CC[N+]2(C)C)cc1OC 13648618 QXLBOXZJSUKEDU-SFHVURJKSA-N 346.878 4.274 5 1 EIBF CCN(CC)CCn1nc2c3ccccc3sc3c(N)ccc1c32 29322586 YIKSPNOVLBBLAL-UHFFFAOYSA-N 338.480 4.328 5 1 EIBF O=[N+]([O-])c1cc(F)cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1 587160653 YGXVRDZHZNEFDK-UHFFFAOYSA-N 325.221 4.296 5 1 EIBF C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccc(Sc3ccccc3)cc2)CO1 1911577311 WXGLQWLONQSHMW-YLJYHZDGSA-N 344.500 4.001 5 1 EIBF CN(C)CCCCn1c2ccccc2c2ccc3c(C=O)c[nH]c3c21 84711800 VGZNWCWWERCEPK-UHFFFAOYSA-N 333.435 4.430 5 1 EIBF Cc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(F)(F)F)o1 587644849 DNIXUNGMDDVIEG-UHFFFAOYSA-N 338.241 4.390 5 1 EIBF OC[C@H](c1ccc2c(c1)OCO2)c1c2ccccc2nc2ccccc12 3826951 RVEUDTXJLDUWSX-QGZVFWFLSA-N 343.382 4.241 5 1 EIBF CNC(=O)OCc1c2cnccc2c(C)c2[nH]c3ccc(OC)cc3c12 27552920 KYARZJKYCBYJLA-UHFFFAOYSA-N 349.390 4.042 5 1 EIBF O=[N+]([O-])c1ccc(C2=NN[C@@H](c3ccc(Cl)cc3Cl)C2)cc1 98082964 DJCPDORTSQVIER-OAHLLOKOSA-N 336.178 4.340 5 1 EIBF C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(O)(c1cccs1)c1cccs1)C2 103234821 LCPINUBFMFYVEB-MUJYYYPQSA-N 348.557 4.453 5 1 EIBF C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccc(Sc3ccccc3)cc2)O1 1911578609 SSDALIWKSYHGQX-XLIONFOSSA-N 344.500 4.001 5 1 EIBF O=[N+]([O-])c1cccc(COc2cccc(CN3CCCCC3)c2)c1 61936340 QIMPSTNHQJHGRX-UHFFFAOYSA-N 326.396 4.160 5 3 EIBF O=C(Nc1ccc([N+](=O)[O-])cc1OCc1ccccc1)c1ccccc1 29135941 YOEJQISAJUSJNZ-UHFFFAOYSA-N 348.358 4.426 5 1 EIBF Cc1ccc(CSCCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 586970792 IXUASAWGQMSWJK-UHFFFAOYSA-N 327.409 4.255 5 1 EIBF O=[N+]([O-])c1cc(/C=C\c2nc3cc(Cl)ncc3[nH]2)ccc1Cl 587047814 NYCBTTXVOUMCGE-RQOWECAXSA-N 335.150 4.343 5 1 EIBF C[C@@H]1N[C@@H](c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2NC1=S 29125387 GIJVFXLLTGATJD-VFZGTOFNSA-N 347.827 4.069 5 1 EIBF Cc1cc(Nc2ccc(C)c([N+](=O)[O-])c2)c2c(ccc3nc[nH]c32)n1 39214821 XKYZTTYVHBBUEK-UHFFFAOYSA-N 333.351 4.380 5 1 EIBF O=[N+]([O-])c1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@@H]3C2)c2ccccc12 169718609 MGERBMNVFTYJJP-PHIMTYICSA-N 334.331 4.091 5 1 EIBF O=[N+]([O-])c1cnc2[nH]c(/C=C/c3cccc(Cl)c3Cl)nc2c1 587055092 RITQWGOUDDJUDM-SNAWJCMRSA-N 335.150 4.343 5 1 EIBF CC(=O)Oc1c(-c2ccc(Cl)cc2)[nH]c2cccc([N+](=O)[O-])c12 587644811 OWTQUTGCVNAXIA-UHFFFAOYSA-N 330.727 4.322 5 1 EIBF CCN(CC)CCC[C@H](C)Nc1ccnc2cc([N+](=O)[O-])ccc12 27524138 ORUAKEMELJTUDK-AWEZNQCLSA-N 330.432 4.065 5 1 EIBF O=[N+]([O-])c1cc(F)cc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 587160047 DMEAUGNBVJMXCJ-UHFFFAOYSA-N 343.211 4.435 5 1 EIBF O=C1c2cccc3cc4ccccc4c(c23)C(=O)N1Cc1cccnc1 27868665 PPILGWZSFNLORG-UHFFFAOYSA-N 338.366 4.184 5 1 EIBF CCCc1c(O)ccc2c1O[C@H](c1cc(F)cc([N+](=O)[O-])c1)CC2=O 587469157 XCKMDKRZGFKJTB-KRWDZBQOSA-N 345.326 4.099 5 1 EIBF NC(=O)c1cccc2c1nc(Nc1cccc(Cl)c1)c1ccncc12 73169805 FSCBAXKYVITFPI-UHFFFAOYSA-N 348.793 4.279 5 1 EIBF Cc1cc2[nH]c(Cc3ccccc3C(F)(F)F)nc2cc1[N+](=O)[O-] 587106348 AIVOYICSFCBBFC-UHFFFAOYSA-N 335.285 4.389 5 1 EIBF CC(=O)c1c(-c2cc(Cl)ccc2O)[nH]c2cccc([N+](=O)[O-])c12 587645163 YFLIOQKPBZTZMC-UHFFFAOYSA-N 330.727 4.305 5 1 EIBF COc1cccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12 587047102 BDMZQZOMFWYZSM-SOFGYWHQSA-N 329.743 4.304 5 1 EIBF CC(=O)Oc1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2ccc(F)c(Cl)c12 587631185 IQLRSASMZBUKKH-UHFFFAOYSA-N 348.717 4.461 5 1 EIBF O=C(c1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCCc2ccccc21 1857749416 VKOOODLTIXZIQV-UHFFFAOYSA-N 348.358 4.448 5 1 EIBF Cc1c(F)ccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c12 587268687 BMFWAXYWMIFJTN-UHFFFAOYSA-N 340.358 4.186 5 1 EIBF COC(=O)c1c(-c2ccc(Cl)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587644820 PDJBPCPEZFIPGV-UHFFFAOYSA-N 330.727 4.183 5 1 EIBF O=C(c1cccc(Cl)c1[N+](=O)[O-])c1coc2cc([N+](=O)[O-])ccc12 587280262 QHVLHWQEVMSUDL-UHFFFAOYSA-N 346.682 4.134 5 1 EIBF Cc1cc([N+](=O)[O-])ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587512461 ODCQGKBPALZBPE-LJQANCHMSA-N 337.375 4.489 5 1 EIBF COc1ccc2nc(C(=O)O)c3c4cccc(Cl)c4[nH]c3c2c1 473107700 JWICEQLMDWKZGQ-UHFFFAOYSA-N 326.739 4.230 5 1 EIBF COc1cc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2cc1F 587138881 AESUPIQEFRYDSV-UHFFFAOYSA-N 339.685 4.078 5 1 EIBF O=[N+]([O-])c1cc(Cl)cc(-c2cc3c4c(cccc4n2)CC3)c1O 587209802 XZDVMZBSSPHACX-UHFFFAOYSA-N 326.739 4.268 5 1 EIBF O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1nc2c(Cl)cccc2s1 28126774 GBKQGXODPBEINR-GQCTYLIASA-N 349.755 4.103 5 1 EIBF CC(C)[C@H](c1nc2cccc([N+](=O)[O-])c2[nH]1)N(C)C(=O)OC(C)(C)C 587197717 LDSMWIDDCHMTCY-CQSZACIVSA-N 348.403 4.035 5 1 EIBF COc1cc(OCc2nc3ccc(Cl)c(C)c3[nH]2)ccc1[N+](=O)[O-] 587262976 JWBQKTRZQYTDIB-UHFFFAOYSA-N 347.758 4.021 5 1 EIBF CC(C)Oc1ccc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2c1 587269564 GBACRXKASOKMQN-UHFFFAOYSA-N 325.368 4.044 5 1 EIBF COc1ccc(-c2cc3nc(N4CCC4)c4ccccc4c3nn2)cc1 28758057 ISRFFUUSKJOMHT-UHFFFAOYSA-N 342.402 4.064 5 1 EIBF CN(C/C=C/c1cccc([N+](=O)[O-])c1)Cc1ccc2c(c1)OCCC2 1772596925 USRDWNZYFGYWII-ZZXKWVIFSA-N 338.407 4.065 5 1 EIBF O=C(Nc1ccccn1)c1sc2ccc([N+](=O)[O-])cc2c1Cl 169304574 BDJCLJLPGINDBY-UHFFFAOYSA-N 333.756 4.110 5 1 EIBF C1=Cc2cc3cc4c([nH]3)c(c3nc(cc5ccc(cc1n2)[nH]5)CC3)CC4 34997284 ZFVPUXOTXTUDQH-UHFFFAOYSA-N 338.414 4.369 5 1 EIBF in-vitro O=C(O)c1cc(=O)c2cc3sc4ccccc4c3c(Cl)c2[nH]1 169319976 FUHQTTBVLCRJJI-UHFFFAOYSA-N 329.764 4.248 5 1 EIBF O=[N+]([O-])c1cc(/C=C/c2nc3cc4cn[nH]c4cc3[nH]2)ccc1Cl 587050432 QHGRFYYJFOXRFN-DUXPYHPUSA-N 339.742 4.171 5 1 EIBF O=C1C[C@H](c2cc([N+](=O)[O-])ccc2F)Oc2c1ccc1c2CCCC1 587504237 IACKVDFMFUZMBA-GOSISDBHSA-N 341.338 4.319 5 1 EIBF O=[N+]([O-])c1csc2c(O)nc(/C=C/c3ccc(Cl)cc3)nc12 1857591253 KBHDGVCQGAKSFT-ZZXKWVIFSA-N 333.756 4.129 5 1 EIBF COc1ccc2c3c(c4cc(OC)c(O)cc4c2c1)C[C@@H]1CCCN1C3 28817925 YGIJCEZNLVPDPL-ZDUSSCGKSA-N 349.430 4.236 5 1 EIBF O=[N+]([O-])c1cnc2[nH]c(Cc3cccc(-c4ccccc4)c3)nc2c1 587961058 HZNVYGDSSZWSOF-UHFFFAOYSA-N 330.347 4.124 5 1 EIBF COc1cccc([C@@H](C)Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1 587930080 GQRJNZVWCDZUMH-JTQLQIEISA-N 345.786 4.479 5 1 EIBF COc1c(OC)c2ccn(C)c3c([O])c4cccc(O)c4c(c1O)c23 2356850227 RDYWQBSQMNERGC-UHFFFAOYSA-N 338.339 4.057 5 1 EIBF O=[N+]([O-])c1cc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2cc1Cl 586886843 QMQQXSQAPWASNU-KZULUSFZSA-N 339.782 4.496 5 1 EIBF CCN(CC)CCC[C@@H](C)Nc1ccnc2cc([N+](=O)[O-])ccc12 27524137 ORUAKEMELJTUDK-CQSZACIVSA-N 330.432 4.065 5 1 EIBF COc1ccc2c(CN(C)C)cc3cc(OC)c(OC)cc3c2c1 28565875 SDWZXYREXTYJEY-UHFFFAOYSA-N 325.408 4.080 5 1 EIBF O=C(c1c(Cl)ccnc1Cl)c1coc2cc([N+](=O)[O-])ccc12 587280417 WKDXNYYPODECRI-UHFFFAOYSA-N 337.118 4.274 5 1 EIBF O=[N+]([O-])c1cc2nc(-c3csc4ccc(O)cc34)[nH]c2cc1F 587033040 PTMZJHUXUOEDPP-UHFFFAOYSA-N 329.312 4.198 5 1 EIBF CCCc1c(O)ccc2c1O[C@H](c1ccc(F)c([N+](=O)[O-])c1)CC2=O 587465125 AXJYWIRSUYAUMA-KRWDZBQOSA-N 345.326 4.099 5 1 EIBF CCOC(=O)c1c(-c2ccc(F)c(C)c2)[nH]c2cc([N+](=O)[O-])ccc12 587645820 DWJATDBGGCFFRX-UHFFFAOYSA-N 342.326 4.367 5 1 EIBF O=[N+]([O-])c1cc(CSc2nc3ccccc3s2)cc([N+](=O)[O-])c1 3596422 OFORVWAMYXQRGH-UHFFFAOYSA-N 347.377 4.405 5 1 EIBF O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC2(C=Cc3ccccc32)CC1 13728390 XEBYQWAXGQRPJO-UHFFFAOYSA-N 349.390 4.187 5 1 EIBF CCO[C@@H](C)c1nc(C)c(-c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)s1 587014891 SSMVVXGWHLQNGY-JTQLQIEISA-N 346.412 4.309 5 1 EIBF O=[N+]([O-])c1cccc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c12 587108884 CBDDEBRXBYWJOM-UHFFFAOYSA-N 325.221 4.296 5 1 EIBF CCc1ccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2c1 587268994 GNYAZCUFAHUULW-UHFFFAOYSA-N 336.395 4.301 5 1 EIBF Cc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1[N+](=O)[O-] 587511152 NNNYXCJPZROUBS-SFHVURJKSA-N 337.375 4.489 5 1 EIBF CN(C/C=C/c1ccc([N+](=O)[O-])cc1)Cc1ccc2c(c1)OCCC2 1772603972 OXRIRMGLPMIDIX-DUXPYHPUSA-N 338.407 4.065 5 1 EIBF Cc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1[N+](=O)[O-] 587511150 NNNYXCJPZROUBS-GOSISDBHSA-N 337.375 4.489 5 1 EIBF O=[N+]([O-])c1ccc2c(Nc3cccc(C(F)(F)F)c3)ncnc2c1 13745564 VMGLSQQSTMVBST-UHFFFAOYSA-N 334.257 4.300 5 1 EIBF C[C@@H]1CCc2sc(-c3nc4cc(F)c([N+](=O)[O-])cc4[nH]3)cc2C1 587034274 RLJMCKLCWNWNEK-MRVPVSSYSA-N 331.372 4.464 5 1 EIBF Cc1ccc([C@H](C)[C@@H](O)c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1 586893438 ZAZBVYSFEMXSPY-MGPLVRAMSA-N 345.786 4.270 5 1 EIBF C[C@@H]1CC=CC[C@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587968332 ZGGHWLHYUJFXHH-RKDXNWHRSA-N 336.189 4.303 5 1 EIBF CCc1ccc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1Br 586976526 GGBKHWPOERULQX-UHFFFAOYSA-N 346.184 4.463 5 1 EIBF CC(C)COc1cccc(OCc2nc3cccc([N+](=O)[O-])c3[nH]2)c1 587565677 HXEYWYFWIMXYBU-UHFFFAOYSA-N 341.367 4.085 5 1 EIBF COC(=O)C(=O)c1c2ccccc2n2ccc3c4ccccc4[nH]c3c12 5549883 JSCOOTAVKPBHTB-UHFFFAOYSA-N 342.354 4.083 5 1 EIBF biogenic O=C1CCC[C@@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)CC1 586883557 BZWRMHFRDOCTIC-GFCCVEGCSA-N 330.391 4.276 5 1 EIBF CC[C@]12CCC[N@@+]3([O-])CCc4c(n(c5ccccc45)[C@H](OC)C1)[C@H]23 299811344 KFAHAKAGWDLBIH-RPUPUWCGSA-N 326.440 4.292 5 1 EIBF Cc1ccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2c1 587110067 RIHUYBNZONNWOF-UHFFFAOYSA-N 335.285 4.389 5 1 EIBF CN1C(=O)c2c(c3c4ccccc4[nH]c3c3[nH]c4ccccc4c23)C1=O 6523659 IWLPAJLRFOBUKU-UHFFFAOYSA-N 339.354 4.181 5 1 EIBF Cc1ccc2[nH]c(-[c-]3c(=O)[nH]c4ccc([N+](=O)[O-])cc43)c(N=O)c2c1 169723375 OVTXBIJINAVYNK-UHFFFAOYSA-N 335.299 4.010 5 1 EIBF Cc1[nH]c2cccc(F)c2c1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 587632908 NNWOYCBMQWIMBF-UHFFFAOYSA-N 347.733 4.429 5 1 EIBF COc1ccc2c(c1)c(OC)cc1cc(OC)c(OC)c(OC)c12 14650810 DKNGVACRFHEWBZ-UHFFFAOYSA-N 328.364 4.036 5 1 EIBF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc([N+](=O)[O-])ccc1Cl)O2 587374147 HBSVAIKLZWIDOJ-QGZVFWFLSA-N 346.770 4.019 5 1 EIBF CCO[C@H](C)c1nc(C)c(-c2nc3cccc([N+](=O)[O-])c3[nH]2)s1 587014669 OLAJAFKYOJAVKX-SECBINFHSA-N 332.385 4.001 5 1 EIBF O=[N+]([O-])c1cc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2cc1F 587150782 FFVITNQULOFVTG-DTWKUNHWSA-N 333.269 4.160 5 1 EIBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccc(F)c(F)c3[nH]2)c1 587269005 GTKKQPHAZGACQO-UHFFFAOYSA-N 344.321 4.017 5 1 EIBF O=[N+]([O-])c1ccc2cc(-c3nnc(-c4ccccc4F)o3)oc2c1 1857585144 GKNJNGUAMXXHQL-UHFFFAOYSA-N 325.255 4.197 5 1 EIBF O=[N+]([O-])c1c(Sc2cc(F)cc(Cl)c2)ccc2nonc12 95596175 RHJVDBAOBMUJDK-UHFFFAOYSA-N 325.708 4.075 5 1 EIBF CN=c1ccc2c3cccc4c3c(c3ccccc3n4C)n(C)c-2c1 377805979 ZJCBDXLMLHDSNR-UHFFFAOYSA-N 325.415 4.459 5 1 EIBF CCC(C)(C)c1ccc(OCc2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 587565817 UNSAUTMTCZLKDC-UHFFFAOYSA-N 340.383 4.133 5 1 EIBF Cc1[nH]c2ccccc2c(=O)c1Cc1c(C)[nH]c2cc([N+](=O)[O-])ccc12 587648527 GXSVQERSMHTBOJ-UHFFFAOYSA-N 347.374 4.125 5 1 EIBF Nc1ccc(-c2nc3c(cc(O)c4c(=O)c5ccccc5oc43)o2)cc1 1857636925 IZXUAHCNVQZKSP-UHFFFAOYSA-N 344.326 4.042 5 1 EIBF Cc1ccc(OCCOc2cc(Cl)ccc2Cl)c([N+](=O)[O-])n1 73221602 BXYNXPYLIXHMGH-UHFFFAOYSA-N 343.166 4.063 5 1 EIBF C[C@H](Oc1ccc2ccccc2c1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 587951794 RJCBBIIKWFTAOH-NSHDSACASA-N 334.335 4.159 5 1 EIBF C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(O)(c1ccsc1)c1ccsc1)C2 103235724 GYXKSBFUKPTYKI-GBEXYDAJSA-N 348.557 4.453 5 1 EIBF Cc1oc(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)cc1[N+](=O)[O-] 587268606 GSJVAXWCIBLFTJ-UHFFFAOYSA-N 347.330 4.271 5 1 EIBF O=[N+]([O-])c1ccc(Sc2c(O)c(Cl)cc(O)c2Cl)cc1 1772597353 FZJTUNOVDLJMHV-UHFFFAOYSA-N 332.164 4.464 5 1 EIBF CN(c1ccc(OC(F)(F)F)cc1)c1nc(Cl)ccc1[N+](=O)[O-] 95594083 PXNUUDRRNISQKA-UHFFFAOYSA-N 347.680 4.310 5 1 EIBF O=[N+]([O-])c1cn(Cc2ccccc2)c2ccc(Br)cc12 1857586179 OMFUKXJLWRLYDM-UHFFFAOYSA-N 331.169 4.360 5 1 EIBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3nc(Cl)ccc3[nH]2)o1 587266349 ZAAIACJISHJNIL-UHFFFAOYSA-N 340.726 4.447 5 1 EIBF CCCc1c(O)ccc2c1O[C@@H](c1c(F)cccc1[N+](=O)[O-])CC2=O 587464985 DJKYIEMJNCBTBA-MRXNPFEDSA-N 345.326 4.099 5 1 EIBF O=[N+]([O-])c1cncc2nc(Cc3ccccc3Oc3ccccc3)[nH]c12 587949573 HXOQJYPFVRRTLS-UHFFFAOYSA-N 346.346 4.249 5 1 EIBF O=C(O)c1cc2cc(/C=C/c3ccc([N+](=O)[O-])cc3)ccc2cc1O 1857588386 BBEPYRRSSZBCMY-OWOJBTEDSA-N 335.315 4.322 5 1 EIBF O=[N+]([O-])c1ccc(NC(=S)OCCc2cccc(Cl)c2)cc1 40423953 SVKAERTXDOVOSR-UHFFFAOYSA-N 336.800 4.204 5 1 EIBF CCCc1c(O)ccc2c1O[C@@H](c1cc(F)cc([N+](=O)[O-])c1)CC2=O 587469158 XCKMDKRZGFKJTB-QGZVFWFLSA-N 345.326 4.099 5 1 EIBF O=Nc1[nH]c(O)c(-c2ccccc2)c1-c1ccc(O)c([N+](=O)[O-])c1 2356859692 NMMDNCZQLOFGES-UHFFFAOYSA-N 325.280 4.066 5 1 EIBF O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2ccc(Br)cc12 29544424 GMVMGIYPRPPNMB-UHFFFAOYSA-N 346.136 4.131 5 1 EIBF in-vivo CCCc1c(O)ccc2c1O[C@H](c1cccc(C)c1[N+](=O)[O-])CC2=O 587473540 XGNIIDDYDDEMEJ-KRWDZBQOSA-N 341.363 4.268 5 1 EIBF O=[N+]([O-])c1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)cc1 1772590765 SLDIYKGJUGCLEE-UHFFFAOYSA-N 343.346 4.344 5 1 EIBF CCN(CC)CCn1nc2c3ccccc3oc3c4[nH]cnc4cc1c23 40767267 KVGYPINMAMURDV-UHFFFAOYSA-N 347.422 4.154 5 1 EIBF Cc1oc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1[N+](=O)[O-] 587268520 BOMZIMGRGICUFH-UHFFFAOYSA-N 345.318 4.136 5 1 EIBF CCOC(=O)c1c2[nH]c3ccc(OC)cc3c2cc2nc(C)sc12 29465894 RAGNAZDMUFQOMY-UHFFFAOYSA-N 340.404 4.425 5 1 EIBF C[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([N+](=O)[O-])CC[C@H]12 96175841 SCLZOWKUTFYLGM-CWBOUKHSSA-N 335.488 4.425 5 1 EIBF O=[N+]([O-])c1cncc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c12 587056071 YONAFBPANICQLG-PLNGDYQASA-N 335.150 4.343 5 1 EIBF COc1c(CC=C(C)C)cc2c(=O)c3c(O)cccc3oc2c1OC 14819781 IWAHPMCGADAHBK-UHFFFAOYSA-N 340.375 4.178 5 1 EIBF biogenic,in-vitro O=C(Nc1ccccc1)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587645272 NNDSJZGDYGBHNH-UHFFFAOYSA-N 349.268 4.347 5 1 EIBF O=[N+]([O-])c1cc(F)cc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c1 587160030 CNYUDYYRMSRXRY-UHFFFAOYSA-N 327.649 4.209 5 1 EIBF O=[N+]([O-])c1cc2[nH]c(-c3ccc(OC4CCC4)cc3)nc2cc1F 587951064 IRPRCQKROUYROH-UHFFFAOYSA-N 327.315 4.209 5 1 EIBF COc1nc2c3cc4c(cc3ccc2c2cc3c(cc12)OCO3)OCO4 13374891 NHNBHRYVJDOMHG-UHFFFAOYSA-N 347.326 4.007 5 1 EIBF biogenic Oc1c2nc(cc3ccc([nH]3)c(O)c3nc(cc4ccc1[nH]4)C=C3)C=C2 64625111 HHNOFPUVHHXYNE-UHFFFAOYSA-N 342.358 4.067 5 1 EIBF in-vitro FC(F)(c1ccccn1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587090640 UMHHTCKNXULNPM-UHFFFAOYSA-N 347.328 4.194 5 1 EIBF COc1cc(-c2c(C)[nH]c3cc(F)ccc23)c([N+](=O)[O-])cc1OC 587635477 IMYKSUAYIDSGKV-UHFFFAOYSA-N 330.315 4.208 5 1 EIBF C[N+](C)(C)CCCCCCCCCCN1C(=O)c2ccccc2C1=O 14947236 XMFOBGXNQDOERN-UHFFFAOYSA-N 345.507 4.110 5 1 EIBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cccc(F)c4[nH]3)c2)c1 587269924 JHPOVTFVXFNMPK-UHFFFAOYSA-N 334.310 4.339 5 1 EIBF Cc1cc2[nH]c(-c3c[nH]cc3-c3scnc3C)nc2cc1[N+](=O)[O-] 587028218 MLIALUWBTFURJU-UHFFFAOYSA-N 339.380 4.207 5 1 EIBF COc1ccccc1-c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)C(F)F 587645824 DZEUYVMCOYHNRB-UHFFFAOYSA-N 346.289 4.200 5 1 EIBF O=[N+]([O-])c1cc(F)cc(-c2nc3ccc(Br)cc3[nH]2)c1 587160558 VZBIOBIJYOJOGN-UHFFFAOYSA-N 336.120 4.040 5 1 EIBF CCCc1c(O)ccc2c1O[C@H](c1cccc([N+](=O)[O-])c1F)CC2=O 587465235 CEGRGMODZMRWGY-INIZCTEOSA-N 345.326 4.099 5 1 EIBF Cn1c(-c2ccc(Cl)cc2Cl)nnc1-c1ccccc1[N+](=O)[O-] 29043164 WTGORQWZMJCRJC-UHFFFAOYSA-N 349.177 4.364 5 1 EIBF c1ccc2nc3cc4[nH]c(-c5occ6c5CCC6)nc4cc3nc2c1 586905092 GOOHLSXGQLNJJI-UHFFFAOYSA-N 326.359 4.408 5 1 EIBF CC(C)(C)Oc1cc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c(N)cc1F 587135644 ACNZGJLTMYETJM-UHFFFAOYSA-N 344.346 4.037 5 1 EIBF Cc1cc2[nH]c([C@H](C)Oc3ccc(F)c(F)c3)nc2cc1[N+](=O)[O-] 587149916 IRIAAMROKUKRHY-VIFPVBQESA-N 333.294 4.198 5 1 EIBF Cc1ccc2c(c1)[nH]c1c2sc2c1c(=O)c(C(=O)O)cn2C1CC1 71315760 DMWAQMPFYIOCAO-UHFFFAOYSA-N 338.388 4.039 5 1 EIBF C[C@@H](Oc1ccc(F)cc1F)C(=O)c1coc2cc([N+](=O)[O-])ccc12 587280187 NALXMFODMAPPIQ-SECBINFHSA-N 347.273 4.269 5 1 EIBF C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587151655 SMAIVVVQOCDWBY-ZETCQYMHSA-N 337.257 4.028 5 1 EIBF O=C(c1cc(-c2ccccc2)on1)c1coc2cc([N+](=O)[O-])ccc12 587279869 FKSPFAOCBSQNMB-UHFFFAOYSA-N 334.287 4.227 5 1 EIBF O=C(c1c(-c2ccc(F)cc2)[nH]c2cc([N+](=O)[O-])ccc12)C(F)F 587646309 NJMZQQSHNCTKTQ-UHFFFAOYSA-N 334.253 4.330 5 1 EIBF COc1cccc(C2(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CCCC2)c1 587931535 AITWBSGEIQSKLR-UHFFFAOYSA-N 337.379 4.340 5 1 EIBF C[C@@H](c1nc2cc([N+](=O)[O-])cnc2[nH]1)c1ccccc1C(F)(F)F 587097037 GUQHPQYFOAXUKE-MRVPVSSYSA-N 336.273 4.037 5 1 EIBF CC(C)(C)c1ccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2c1 587158327 CKZLOVNGNDVQFU-UHFFFAOYSA-N 343.358 4.487 5 1 EIBF CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2cccc(F)c12 587635369 FYSJQLXDOSANHB-UHFFFAOYSA-N 328.299 4.059 5 1 EIBF CCCCNC(=O)Cc1cccc2c(=O)c3ccc(C)c(C)c3oc12 103299268 GIPQRGWKKLQAHU-UHFFFAOYSA-N 337.419 4.022 5 1 EIBF COc1ccc(Cn2c3ccccc3c(=O)c3ccccc32)cc1OC 64549242 ORCOWDAFUSEAKC-UHFFFAOYSA-N 345.398 4.220 5 1 EIBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Cl)cc1[N+](=O)[O-])O2 587379866 YHZATNSWIHNGOH-KRWDZBQOSA-N 346.770 4.019 5 1 EIBF O=[N+]([O-])c1ccc2c(-c3ccncn3)c(-c3ccc(F)cc3)[nH]c2c1 587645883 NJGROWSPLZYSKF-UHFFFAOYSA-N 334.310 4.339 5 1 EIBF O=Cc1c2[nH]c3ccccc3c2c(C(=O)O)c2[nH]c3ccccc3c12 14585610 ZUEZOQULQLAXBW-UHFFFAOYSA-N 328.327 4.466 5 1 EIBF biogenic O=[N+]([O-])c1cc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2cc1F 587081067 QTPUTWQGUHHRAB-UHFFFAOYSA-N 344.733 4.267 5 1 EIBF O=C(c1cccs1)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587645383 SWBLRYXXUPBMGY-UHFFFAOYSA-N 340.282 4.387 5 1 EIBF CC1CCN(CCc2nc3ccccc3c3nc4ccccc4n23)CC1 31848097 QBLPFVYAIFQAOI-UHFFFAOYSA-N 344.462 4.310 5 1 EIBF O=c1c2ccccc2[nH]c2cc(OCCc3ccccc3)cc(O)c12 58512102 JPABTBVKJRTSBN-UHFFFAOYSA-N 331.371 4.008 5 1 EIBF O=[N+]([O-])c1cc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2cc1F 587088080 TWPQGIXSVHKGNJ-UHFFFAOYSA-N 330.706 4.412 5 1 EIBF CN(C)C(=O)[C@@H]1CC(c2ccc3ccc4cccc5ccc2c3c45)=NO1 84604864 ZKADKSCDLPHUID-IBGZPJMESA-N 342.398 4.165 5 1 EIBF Cc1c[nH]c(NCCCN(C)C)c2c3c(ccc4ccccc43)nc1-2 101469078 PWBQUOONJKAXNI-UHFFFAOYSA-N 332.451 4.493 5 1 EIBF CN1CCN(c2nc3ccccc3c3c2ccc2ccccc23)CC1 13742149 ASUOWQNSLNMXFU-UHFFFAOYSA-N 327.431 4.293 5 1 EIBF CCCCn1c(=O)c2ccccc2c2cc(C(=O)NC(C)C)ccc21 169327700 WZLPSMCHQHGUDA-UHFFFAOYSA-N 336.435 4.093 5 1 EIBF CCN(CC)CCNc1nc2ccccc2c2nc3ccccc3nc12 1772603130 FFUJQEBVTFMRQD-UHFFFAOYSA-N 345.450 4.085 5 1 EIBF O=C(O)c1cc2cc(/C=C/c3cccc([N+](=O)[O-])c3)ccc2cc1O 1857574117 QPSULSJAUWKSBP-SNAWJCMRSA-N 335.315 4.322 5 1 EIBF O=c1oc2ccccc2c2nc3cc(Br)ccc3cc12 73199385 KKOUKWIMIPWVCB-UHFFFAOYSA-N 326.149 4.257 5 1 EIBF Cc1c(C(=O)CCC(C)C)cc2c(oc(=O)c3c(O)cccc32)c1O 2356790231 FIGLCXOLNUODKQ-UHFFFAOYSA-N 340.375 4.285 5 1 EIBF C[C@H](Oc1ccc(F)cc1F)C(=O)c1coc2cc([N+](=O)[O-])ccc12 587280188 NALXMFODMAPPIQ-VIFPVBQESA-N 347.273 4.269 5 1 EIBF CCCCCN[P@](=O)(OCC)Oc1ccc(C)cc1[N+](=O)[O-] 72124534 QYRKNKYSZHWRIN-QFIPXVFZSA-N 330.321 4.206 5 1 EIBF CC[C@@H](Oc1ccccc1F)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587154667 GJMSKBGTJRIRGE-CQSZACIVSA-N 333.294 4.279 5 1 EIBF Cc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2Cn2ccnc2)cc1 587647993 XKDZEACBLSYFQW-UHFFFAOYSA-N 332.363 4.296 5 1 EIBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(F)c(F)cc3[nH]2)c1 587269309 LAOJZEODCFUHEA-UHFFFAOYSA-N 344.321 4.017 5 1 EIBF Cc1cc2[nH]c([C@H]3C[C@@H]3c3cccc(F)c3F)nc2cc1[N+](=O)[O-] 587153234 XFYVPAASVMDAOF-MNOVXSKESA-N 329.306 4.329 5 1 EIBF O=[N+]([O-])c1ccc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2c1 587068305 PSBFWFKQGIGBNM-UHFFFAOYSA-N 339.742 4.182 5 1 EIBF O=[N+]([O-])c1ccc([C@H](c2c[nH]cc2-c2ccccc2)n2ccnc2)cc1 5974739 ZZLWYSBRYWHHQI-HXUWFJFHSA-N 344.374 4.424 5 1 EIBF O=c1c2ccccc2n(CCCc2ccccc2)c2cccc(O)c12 64573084 QWVUTQLMOMQMRO-UHFFFAOYSA-N 329.399 4.493 5 1 EIBF COc1cc2c(cc1OCc1ccc([N+](=O)[O-])cc1)C=CC(C)(C)O2 1772642657 DWFBSYIRRXCVKI-UHFFFAOYSA-N 341.363 4.367 5 1 EIBF C[C@@H](N1Cc2c(cccc2[N+](=O)[O-])C1=O)C12CC3CC(CC(C3)C1)C2 1857756616 BNDAWLDNWGHBRW-JSFDKUKPSA-N 340.423 4.156 5 1 EIBF COc1cc(O)cc2c1ccc1c(=O)oc3c(OC)cc(C)cc3c12 2356324727 UCKONQFHGVKQKI-UHFFFAOYSA-N 336.343 4.131 5 1 EIBF CCO[C@H](C)c1nc(C)c(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)s1 587015178 ZRIFGLIXWUOXRW-SECBINFHSA-N 332.385 4.001 5 1 EIBF Cn1c2ccccc2c2c(NCCCN)nc3ccc(Cl)cc3c21 169309480 CYVNWCPOSQMYTQ-UHFFFAOYSA-N 338.842 4.294 5 1 EIBF O[C@]1(c2ccc3c(ccc4ccccc43)c2)CN2CCCC[C@H]2CO1 473124740 WWFNMPJZMWZKDY-SIKLNZKXSA-N 333.431 4.023 5 1 EIBF CCC(=O)C(CCCCCCOc1ccccc1[N+](=O)[O-])C(=O)CC 32138836 URUXHIMRHUZDHG-UHFFFAOYSA-N 349.427 4.499 5 1 EIBF O=[N+]([O-])c1cccc2ncnc(Nc3cccc(Br)c3)c12 13743117 CFLDNHCFXUEPKN-UHFFFAOYSA-N 345.156 4.044 5 1 EIBF in-vivo CC[C@H](Oc1ccccc1Cl)c1nc2cncc([N+](=O)[O-])c2[nH]1 587061983 MZONEXBOZSMIPD-LBPRGKRZSA-N 332.747 4.050 5 1 EIBF O=C(c1cc([N+](=O)[O-])ccc1Cl)c1coc2cc([N+](=O)[O-])ccc12 587279846 DGNKKCAXSXEJCK-UHFFFAOYSA-N 346.682 4.134 5 1 EIBF O=C1C[C@@H](c2cc(F)cc([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587501938 HAUSVPWOBDYVEI-SFHVURJKSA-N 341.338 4.319 5 1 EIBF NCCCNCCCCCNCc1c2ccccc2cc2ccccc12 13522113 IKVONIJTJQAKTE-UHFFFAOYSA-N 349.522 4.191 5 1 EIBF O=C(Nc1nccs1)[C@@H](CC1CCCC1)c1ccc([N+](=O)[O-])cc1 49070979 SPHMVBLDKHUISJ-HNNXBMFYSA-N 345.424 4.354 5 1 EIBF O=[N+]([O-])c1cnc2[nH]c([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2c1 587049064 KJIMTMHGJMTWPW-DTWKUNHWSA-N 349.177 4.444 5 1 EIBF O=C(c1cnc(Cl)c(Cl)c1)c1coc2cc([N+](=O)[O-])ccc12 587280142 LBAFKBKQVFCVLU-UHFFFAOYSA-N 337.118 4.274 5 1 EIBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C(C)C)c([N+](=O)[O-])c1)O2 587389216 JXHVORUGTDGRED-SFHVURJKSA-N 340.379 4.315 5 1 EIBF Nc1ccc(-c2nc(-c3cc(F)ccc3F)cs2)cc1[N+](=O)[O-] 587921926 BZGYWKFXUZTAPI-UHFFFAOYSA-N 333.319 4.246 5 1 EIBF O=[N+]([O-])c1cc(/C=C\c2nc3cc4c(cc3[nH]2)OCO4)ccc1Cl 587047713 LGMJWVNUMYMTMV-RQOWECAXSA-N 343.726 4.024 5 1 EIBF Cc1c(-c2nc3cccc(Br)c3[nH]2)cccc1[N+](=O)[O-] 587260791 FNVCNXUKIQQKPL-UHFFFAOYSA-N 332.157 4.209 5 1 EIBF O=[N+]([O-])c1cccc(CCc2nc3cccc(C(F)(F)F)c3[nH]2)c1 587270732 RIMDYKGFSOIKAX-UHFFFAOYSA-N 335.285 4.275 5 1 EIBF Cc1c(Cl)[nH]c(C(=O)c2cc(Cl)cc(Cl)c2O)c1[N+](=O)[O-] 2356819418 ZWKHFNKKZRTSHH-UHFFFAOYSA-N 349.557 4.128 5 1 EIBF C[C@@H](NC(=O)c1ccc2c(=O)c3ccccc3[nH]c2c1)c1ccccc1 14970292 BCOFSTGTSIOSBF-CQSZACIVSA-N 342.398 4.172 5 1 EIBF CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc([N+](=O)[O-])cc12 653723345 UFHFWRMKMKAHPD-UHFFFAOYSA-N 338.363 4.083 5 1 EIBF O=c1c2ccccc2oc2cc(OCCCN3CCCCC3)ccc12 71329302 LIFYJRQFNJPHLL-UHFFFAOYSA-N 337.419 4.201 5 1 EIBF Clc1ncc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)s1 587023920 WZYJYMUMGGSAMQ-UHFFFAOYSA-N 337.795 4.436 5 1 EIBF O=[N+]([O-])c1ccc(-n2c(O)c3c(c2O)[C@@H]2C=C[C@@H]3CC2)c2ccccc12 169718569 WYSOPFLHNMKWQL-VXGBXAGGSA-N 348.358 4.481 5 1 EIBF Cc1c(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cnn1-c1ccccc1 587279556 LHRRMUNMAVBCTF-UHFFFAOYSA-N 347.330 4.066 5 1 EIBF Cc1nc2c(sc(=S)n2-c2ccccc2)c2nc3ncccc3n12 12947145 MSILFMRUQFROEC-UHFFFAOYSA-N 349.444 4.321 5 1 EIBF COc1ccc2c3c(c4cc(O)c(OC)cc4c2c1)C[C@@H]1CCCN1C3 28817921 GMVXEWJUDYQWDS-ZDUSSCGKSA-N 349.430 4.236 5 1 EIBF O=[N+]([O-])c1ccc2nc3n(c2c1)[C@@H](c1c(F)cccc1F)SC3 13222648 NWGWIRRSIXWBBQ-OAHLLOKOSA-N 333.319 4.016 5 1 EIBF C[n+]1c2ccc(F)cc2cc2[nH]c3ccc(Br)cc3c21 28472448 JGKZBSUDOLKBKZ-UHFFFAOYSA-O 330.180 4.200 5 1 EIBF O=C1Nc2ccc([N+](=O)[O-])cc2/C1=C\c1ccc(-c2ccsc2)o1 45385777 CPOKLUGURVHSNY-RIYZIHGNSA-N 338.344 4.409 5 1 EIBF O=[N+]([O-])c1ccc(Cn2ccc3nc(-c4ccccc4F)nc-3c2)cc1 100068509 XXHJOOXSCBNZSX-UHFFFAOYSA-N 348.337 4.146 5 1 EIBF COc1oc(=O)c2cc(Nc3cccc([N+](=O)[O-])c3)ccc2c1Cl 95590127 CXMIUSMLBRRFKN-UHFFFAOYSA-N 346.726 4.107 5 1 EIBF CCN(C(=O)c1c(C)[nH]c2cc([N+](=O)[O-])ccc12)c1ccccc1C 587647126 QXIPBTODVVQNLE-UHFFFAOYSA-N 337.379 4.360 5 1 EIBF O=c1c2cc(-c3ccccc3)cnc2sn1-c1ccc([N+](=O)[O-])cc1 1862021 GQIRUGALFFPBHU-UHFFFAOYSA-N 349.371 4.022 5 1 EIBF O=[N+]([O-])c1cccc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c12 587120400 HOVBLVYJDWPXCY-UHFFFAOYSA-N 347.256 4.033 5 1 EIBF Nc1cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)ccc1F 587139519 MZNDGLNGJATSCC-UHFFFAOYSA-N 329.338 4.048 5 1 EIBF CC[C@]1(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)CC(=O)c2ccccc2C1 587959304 DBSSDJBPNWEIBZ-HXUWFJFHSA-N 349.390 4.239 5 1 EIBF Cc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] 587507349 CGNXXPFXYCAEMX-IBGZPJMESA-N 337.375 4.489 5 1 EIBF O=[N+]([O-])c1cnc2[nH]c([C@H](Cc3ccccc3)c3ccccc3)nc2c1 587956373 YXSHOEQPZJRJLM-QGZVFWFLSA-N 344.374 4.241 5 1 EIBF CC(C)(C)C(=O)Nc1cccc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c1 587241948 LPNCOOUTLSIRMB-UHFFFAOYSA-N 338.367 4.123 5 1 EIBF CCOP(=O)(OCC)c1ccc2ccc3ccccc3c(=O)c2c1 36380859 CMSAFZCCZAPNEN-UHFFFAOYSA-N 342.331 4.245 5 3 EIBF Nc1cccc(CNc2ccnc3oc4ccc([N+](=O)[O-])cc4c23)c1 1857763144 YJQXKYKSVGTLJN-UHFFFAOYSA-N 334.335 4.084 5 1 EIBF O=c1cc(-c2ccc(Br)cc2)oc2ccc([N+](=O)[O-])cc12 29555461 OSHQANHMWJQRHB-UHFFFAOYSA-N 346.136 4.131 5 1 EIBF O=[N+]([O-])c1cc2nc([C@](F)(Cl)C(F)(F)F)[nH]c2cc1Cl 587089691 GINXPJZCFCHOIN-MRVPVSSYSA-N 332.040 4.048 5 1 EIBF COc1ccc2[nH]c3c(C)c4ccnc(NCCN(C)C)c4cc3c2c1 6069487 YRVWYVYYBYNJQZ-UHFFFAOYSA-N 348.450 4.160 5 1 EIBF Cc1oc(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)cc1[N+](=O)[O-] 587268849 MFOUQCDXHLOULE-UHFFFAOYSA-N 329.209 4.197 5 1 EIBF Cc1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1ccc([N+](=O)[O-])cc1 587631799 UZEUWBMCYZSZPK-UHFFFAOYSA-N 332.718 4.408 5 1 EIBF C[C@@H](Oc1ccc(F)cc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587168049 DMPJLOCYZBQIJA-MRVPVSSYSA-N 335.722 4.404 5 1 EIBF O=C1C[C@@]2(CCc3c([N+](=O)[O-])cccc32)Oc2c1ccc1c2CCCC1 587512533 OSVSMLWICFTWEW-OAQYLSRUSA-N 349.386 4.281 5 1 EIBF O=[N+]([O-])c1cccc(COc2ccccc2CN2CCCCC2)c1 61936342 AXMHJHRSWKLGNT-UHFFFAOYSA-N 326.396 4.160 5 3 EIBF O=c1c2ccc(OCc3ccccc3)cc2[nH]c2ccc([N+](=O)[O-])cc12 84652064 PUZWEUXOEFGABN-UHFFFAOYSA-N 346.342 4.169 5 1 EIBF CC[C@H](C)Oc1ccc(Cn2ccnc2)c2c(=O)c3ccccc3oc12 95591310 LBQPGQYUZRSKKW-AWEZNQCLSA-N 348.402 4.368 5 1 EIBF O=[N+]([O-])c1cc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2cc1Cl 586886834 QMQQXSQAPWASNU-KPZWWZAWSA-N 339.782 4.496 5 1 EIBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3ccccc3c1[N+](=O)[O-])O2 587388655 FJPOFLKMWZKEPU-GOSISDBHSA-N 348.358 4.345 5 1 EIBF COc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2-c2ccncn2)cc1 587649470 VMNTVIVNDMVKBD-UHFFFAOYSA-N 346.346 4.209 5 1 EIBF COc1ccc2c(c1)CCC=C2Cc1nc2cccc([N+](=O)[O-])c2[nH]1 587934225 FLSCUNLULBOMCI-UHFFFAOYSA-N 335.363 4.052 5 1 EIBF O=c1oc2ccccc2cc1-c1ccc2c(=O)oc3ccccc3c2n1 103198701 RENSMVBAODWGRA-UHFFFAOYSA-N 341.322 4.115 5 1 EIBF Cc1cnc(Cl)c2[nH]c(-c3cc(Cl)cc([N+](=O)[O-])c3F)nc12 587139025 CGCJBYHBHCCFKY-UHFFFAOYSA-N 341.129 4.287 5 1 EIBF COc1cccc(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 587929977 BMTZWWZYWQRTTJ-UHFFFAOYSA-N 340.386 4.259 5 1 EIBF O=[N+]([O-])c1cc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2cc1F 587110344 ZVHJQFQDDGXMKN-UHFFFAOYSA-N 343.211 4.435 5 1 EIBF COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 587931729 MNWJDUXFCBIRED-DJJJIMSYSA-N 337.379 4.233 5 1 EIBF O=C1C[C@H](c2ccc([N+](=O)[O-])cc2F)Oc2c1ccc1c2CCCC1 587508730 ZXUMMVYJTVIIIZ-GOSISDBHSA-N 341.338 4.319 5 1 EIBF O=C(c1ccc([N+](=O)[O-])cc1)c1cc2c(ccc3ccccc32)oc1=O 45506030 IYIILTWQWXIBGB-UHFFFAOYSA-N 345.310 4.085 5 1 EIBF CNc1cccc(-c2cccc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)c2)c1 587233442 PODKQFICPGJSBB-UHFFFAOYSA-N 345.362 4.242 5 1 EIBF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc([N+](=O)[O-])cc1)CC2=O 587468140 BJDQPKMDZKZKJD-LJQANCHMSA-N 341.363 4.134 5 1 EIBF Cc1oc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1[N+](=O)[O-] 587269619 WLQGBLKWADTRDY-UHFFFAOYSA-N 345.318 4.136 5 1 EIBF O=C(c1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)F 587644761 BQOZPUFEJKYNAR-UHFFFAOYSA-N 334.253 4.488 5 1 EIBF O=[N+]([O-])c1ccc(CN2CCC3(CCCc4ccccc43)CC2)cc1 13455513 HTXQJLPAELTFJM-UHFFFAOYSA-N 336.435 4.465 5 1 EIBF Cc1c(F)c(=O)oc2c1c1c(c3oc([N+](=O)[O-])cc32)C=CC(C)(C)O1 169342977 QUZRAWNSPRGFNQ-UHFFFAOYSA-N 345.282 4.079 5 1 EIBF COc1cccc(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)c1 587932407 XJQOLNPTABRAAM-UHFFFAOYSA-N 340.386 4.259 5 1 EIBF Cc1cc2[nH]c(-c3csc4ccc(O)cc34)nc2cc1[N+](=O)[O-] 587032427 VCATWCBEMPMUMA-UHFFFAOYSA-N 325.349 4.367 5 1 EIBF O=[N+]([O-])c1c(Br)ccc2nc(C3(F)CCCCC3)[nH]c12 587131430 HJWOZZQUBWGGNN-UHFFFAOYSA-N 342.168 4.363 5 1 EIBF COc1ccc(C(=O)c2c(C(F)F)[nH]c3cc([N+](=O)[O-])ccc23)cc1 587646640 YZMMKKBSOMASMU-UHFFFAOYSA-N 346.289 4.253 5 1 EIBF COc1ccc2c(c1)C[C@H](c1nc3cc([N+](=O)[O-])c(C)cc3[nH]1)CC2 587944997 DAUMITPGTZQJPS-CYBMUJFWSA-N 337.379 4.061 5 1 EIBF COc1c(C)c2c(c3c1c(=O)c1ccccc1n3C)C=CC(C)(C)O2 5552267 ZFTRTFXXUXJXOU-UHFFFAOYSA-N 335.403 4.193 5 1 EIBF C[C@@H](c1nc2cncc([N+](=O)[O-])c2[nH]1)c1ccccc1C(F)(F)F 587097777 KKMLVHPEUTUXCW-MRVPVSSYSA-N 336.273 4.037 5 1 EIBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)Nc1ccc(Cl)cc1 587645515 XSSQHMPXMWDVLB-UHFFFAOYSA-N 329.743 4.290 5 1 EIBF COc1cc(O)c2c(=O)c3cccc(OC)c3oc2c1CC=C(C)C 14819735 DYDKJWHPMNCISB-UHFFFAOYSA-N 340.375 4.178 5 1 EIBF biogenic Oc1nc(O)c2ccc(-c3ccc4c(ccc5ccccc54)c3)nc2n1 587562052 OEMVTIUKEWMRIS-UHFFFAOYSA-N 339.354 4.409 5 1 EIBF CCCC(Br)(CCC)c1nc2cc([N+](=O)[O-])cnc2[nH]1 586971576 UXEJPAZPXISSNF-UHFFFAOYSA-N 341.209 4.057 5 1 EIBF Cc1nc(C)c(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)s1 587011517 LDMAKNZRFUSGAH-UHFFFAOYSA-N 345.431 4.323 5 1 EIBF O=[N+]([O-])c1ccc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2c1 587060815 NAXMQNQMVXLHLC-UHFFFAOYSA-N 340.726 4.447 5 1 EIBF Cc1cc(F)c2[nH]c(-c3cc([N+](=O)[O-])ccc3N3CCCC3)nc2c1 587269948 UKBFUYVUMBYMLA-UHFFFAOYSA-N 340.358 4.186 5 1 EIBF NCCCNc1c2c3ccccc3nc-2oc2ccc(Cl)cc12 95574738 KVWLMAVCSYHAFY-UHFFFAOYSA-N 325.799 4.500 5 1 EIBF O=[N+]([O-])c1cccc(-c2cc(N[C@@H]3CCc4ccccc43)ncn2)c1 82160495 PEKYWWGEJNDGSA-QGZVFWFLSA-N 332.363 4.151 5 1 EIBF CC[C@@]12C=C[C@@H](O1)[C@@H](C(=O)c1ccccc1)[C@@H]2c1ccc([N+](=O)[O-])cc1 169299027 DAJBYLUBGUBPJS-BNDYYXHWSA-N 349.386 4.295 5 1 EIBF CCO[C@@H](C)c1nc(C)c(-c2nc3cccc([N+](=O)[O-])c3[nH]2)s1 587014671 OLAJAFKYOJAVKX-VIFPVBQESA-N 332.385 4.001 5 1 EIBF O=[N+]([O-])c1cc(/C=C/c2nc3cc(Cl)cnc3[nH]2)ccc1Cl 587047335 GTJSHYSKBJLWEC-DUXPYHPUSA-N 335.150 4.343 5 1 EIBF CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1C)CC2=O 587472520 IZPLMZAPNUODNU-SFHVURJKSA-N 341.363 4.268 5 1 EIBF Cc1ccc(C(=O)CN2C=C[C](Cc3ccc([N+](=O)[O-])cc3)C=C2)cc1 2356845745 NOWHACPHEPUNKR-UHFFFAOYSA-N 347.394 4.246 5 1 EIBF O=C(O)Cc1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 26394819 YEIAAELTBYZYJO-UHFFFAOYSA-N 341.241 4.033 5 1 EIBF O=C(O)CCc1c(-c2cc(F)cc(F)c2)[nH]c2cccc([N+](=O)[O-])c12 587646185 WKIQSXOPBKPQPA-UHFFFAOYSA-N 346.289 4.039 5 1 EIBF COc1cccc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c12 587270341 MJXIOHVLHIFLPY-UHFFFAOYSA-N 346.346 4.209 5 1 EIBF Cc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])c1 587507352 CGVDWPPBAWSHFL-LJQANCHMSA-N 337.375 4.489 5 1 EIBF O=[N+]([O-])c1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@@H]3CC2)c2ccccc12 169718570 WYSOPFLHNMKWQL-TXEJJXNPSA-N 348.358 4.481 5 1 EIBF CN(C)CCCNc1c2ccccc2nc2c1[nH]c1ccc(F)cc12 49046013 PSAVPVCOJIBFJO-UHFFFAOYSA-N 336.414 4.372 5 1 EIBF CN1[C@H]2CC[C@H]1CC(Oc1ccc([N+](=O)[O-])cc1)(c1ccccc1)C2 101154475 BRCANXWYXRAZQA-ROUUACIJSA-N 338.407 4.126 5 1 EIBF COc1cccc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc12 587265666 RUVRBEAHCBAKLT-UHFFFAOYSA-N 335.319 4.407 5 1 EIBF COc1ccccc1C(=O)c1c(C(F)F)[nH]c2cccc([N+](=O)[O-])c12 587646252 MEXXDTCBOUXDID-UHFFFAOYSA-N 346.289 4.253 5 1 EIBF CC(C)CNC(=O)c1cc2ccccc2c(-c2cccc([N+](=O)[O-])c2)n1 28330630 VPFOKVXTMNUAPE-UHFFFAOYSA-N 349.390 4.196 5 1 EIBF CSc1ccc2nc(CCOc3cc(C)ccc3[N+](=O)[O-])[nH]c2c1 587262481 ANNFSMGYLGKHOG-UHFFFAOYSA-N 343.408 4.123 5 1 EIBF CCOc1ccc(OCC)c(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1 587778765 SWWVRJOSJQHYQS-UHFFFAOYSA-N 345.330 4.075 5 1 EIBF C[C@H](Nc1cc(-c2cccc([N+](=O)[O-])c2)ncn1)c1ccc(F)cc1 82162163 LQTIDWOYHLGVBW-LBPRGKRZSA-N 338.342 4.364 5 1 EIBF O=[N+]([O-])c1cc(O)cc([C@@H]2NCCc3cccc(-c4ccccc4)c32)c1 962667810 VTYAHFLQGNEORM-NRFANRHFSA-N 346.386 4.203 5 1 EIBF CCc1ccc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c2c1 587137423 ZOEZBNFCPWJLDO-UHFFFAOYSA-N 342.374 4.117 5 1 EIBF Cc1cc(Cl)ccc1OCCCc1nc2cccc([N+](=O)[O-])c2[nH]1 587066366 MBADTFPJMROFNM-UHFFFAOYSA-N 345.786 4.445 5 1 EIBF O=C(Oc1cncc(Cl)c1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 28975858 KVPGYJGIPXOKGJ-UHFFFAOYSA-N 344.710 4.122 5 1 EIBF Cc1cc(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)ccc1Br 586977592 RJQRPMQEAXNPQP-UHFFFAOYSA-N 346.184 4.133 5 1 EIBF Cc1cc2[nH]c([C@@H]3C[C@H]3c3cccc(F)c3F)nc2cc1[N+](=O)[O-] 587153236 XFYVPAASVMDAOF-WDEREUQCSA-N 329.306 4.329 5 1 EIBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(C)c(C)cc3[nH]2)c1 587261491 CHLACIGHPGCGDX-UHFFFAOYSA-N 325.368 4.018 5 1 EIBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1[C@H]1CCCN1C(=O)OC(C)(C)C 587648345 DLAWXLVQCJCAHX-CYBMUJFWSA-N 345.399 4.457 5 1 EIBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4ccncc4[nH]3)cc2)cc1 587271580 GZCYDWFUWMZMNJ-UHFFFAOYSA-N 332.319 4.325 5 1 EIBF CCOC(=O)c1c(-c2ccc(F)cc2)[nH]c2cccc([N+](=O)[O-])c12 587645853 MLFQXDJOIJFONZ-UHFFFAOYSA-N 328.299 4.059 5 1 EIBF CCN(CC)CCNc1c2ccccc2[n+](C)c2c1[nH]c1ccccc12 55669659 UMIYOWAGIUAAFR-UHFFFAOYSA-O 347.486 4.053 5 1 EIBF Clc1ncc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)s1 587023627 RVGDTUHCYFUJSW-UHFFFAOYSA-N 337.795 4.436 5 1 EIBF O=C(c1cccs1)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587645273 NNHFHSJYCPYCOC-UHFFFAOYSA-N 340.282 4.387 5 1 EIBF Cc1cc2[nH]c(-c3ccc(N)cc3C(F)(F)F)nc2cc1[N+](=O)[O-] 587095362 FQPDYVSNOHVGQL-UHFFFAOYSA-N 336.273 4.048 5 1 EIBF COC[C@@](C)(CO)NCc1ccc2ccc3cccc4ccc1c2c34 26467970 KIZJPOVJOMFMIX-JOCHJYFZSA-N 333.431 4.071 5 1 EIBF O=[N+]([O-])c1ccc(OCc2nc3ccc4c(c3[nH]2)CCCC4)cc1F 587149965 XACISIKSWBJPGU-UHFFFAOYSA-N 341.342 4.068 5 1 EIBF O=C(c1ccc(F)cc1)c1c(C(F)F)[nH]c2cccc([N+](=O)[O-])c12 587645815 DRWPJXGZBSXVCD-UHFFFAOYSA-N 334.253 4.384 5 1 EIBF Nc1nnc2cc(-c3c(O)ccc4ccccc34)c3ccccc3c2n1 72110863 YFTDOWITCRADKX-UHFFFAOYSA-N 338.370 4.286 5 1 EIBF O=[N+]([O-])c1c(Nc2cc(F)cc(C(F)(F)F)c2)ccc2nonc12 95596179 FBLSAINZUURAAQ-UHFFFAOYSA-N 342.208 4.033 5 1 EIBF C[C@H](c1nc2ccc(Oc3ccccc3)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587275646 FKAVYJCORKKWTD-GFCCVEGCSA-N 349.350 4.069 5 1 EIBF C[C@H](CN(C)C)Nc1c2nc3ccccc3c-2n(C)c2ccccc12 135708819 HMAZTPZEJXIJBZ-CQSZACIVSA-N 332.451 4.193 5 1 EIBF CC[C@@H](C)NC(=O)c1cc2ccccc2c(-c2cccc([N+](=O)[O-])c2)n1 28342920 QHXKGGWJWHBZJW-CYBMUJFWSA-N 349.390 4.338 5 1 EIBF Cc1cc(N(C)Cc2nc3cccc(Cl)c3[nH]2)c([N+](=O)[O-])cc1F 587137006 OIGHELGXAPXOKP-UHFFFAOYSA-N 348.765 4.208 5 1 EIBF COC(=O)c1c(-c2ccccc2Cl)[nH]c2cccc([N+](=O)[O-])c12 587644388 AIMKJGDLZIIZIT-UHFFFAOYSA-N 330.727 4.183 5 1 EIBF CCN(C(=O)c1c(C)[nH]c2cccc([N+](=O)[O-])c12)c1ccccc1C 587646491 CILPMCMZHLSVJL-UHFFFAOYSA-N 337.379 4.360 5 1 EIBF COc1ccc2c(c1)sc1ccccc1n(C(C)=O)n2C(C)=O 139701800 WBEHFGPYRISDGZ-UHFFFAOYSA-N 328.393 4.111 5 1 EIBF O[C@@]1(c2ccc3c(ccc4ccccc43)c2)CN2CCCC[C@@H]2CO1 473124738 WWFNMPJZMWZKDY-KNQAVFIVSA-N 333.431 4.023 5 1 EIBF O=[N+]([O-])c1ccc([C@H]2CC(c3cccnc3)=NN2c2ccccc2)cc1 4566930 BEIVMFALHSLDEH-HXUWFJFHSA-N 344.374 4.346 5 1 EIBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)NC1CCCCCCC1 587646825 KWIHRLWPCLEIPL-UHFFFAOYSA-N 329.400 4.227 5 1 EIBF O=C1C[C@@H](c2c(F)cccc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587501187 AOBXVRBPAFFVSK-KRWDZBQOSA-N 341.338 4.319 5 1 EIBF O=C1C[C@H](c2ccc(F)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587509305 YTCXAELPDVMDAV-GOSISDBHSA-N 341.338 4.319 5 1 EIBF CC[C@]1(CC[C@H](C)[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 587511293 ORJNLOYTNXEWTP-DJJJIMSYSA-N 331.412 4.125 5 1 EIBF C[C@]1(c2cc([N+](=O)[O-])c(Cl)s2)NCCc2cc(Cl)ccc21 963381358 VYMBLMQXMJJQSZ-AWEZNQCLSA-N 343.235 4.372 5 1 EIBF Cc1cc(C)c2c(n1)nn1c(/C=C/c3ccc([N+](=O)[O-])cc3)c(C)[nH]c21 1857744515 AQONGZCDJVMKCL-RMKNXTFCSA-N 347.378 4.214 5 1 EIBF CC(C)(C)c1cccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c12 587148414 GQHGSVRGBMJGJU-UHFFFAOYSA-N 343.358 4.487 5 1 EIBF CCn1cc2c(=O)c(OC)ccc-2c2ccc3cc4c(cc3c21)OCO4 26386659 TXDLZJFVDWGURX-UHFFFAOYSA-N 347.370 4.017 5 1 EIBF CC(=O)Nc1ccc(/C=C/c2ccnc3ccccc23)cc1[N+](=O)[O-] 36382748 XTBPTRYUYIIUJS-SOFGYWHQSA-N 333.347 4.272 5 1 EIBF O=C(c1cccc([N+](=O)[O-])c1)c1cc2c(ccc3ccccc32)oc1=O 40834405 PNESHJRONHDRBF-UHFFFAOYSA-N 345.310 4.085 5 1 EIBF Cn1c2ccccc2c2c(NCCCN)c3cc(Cl)ccc3nc21 84689397 NIQKHCSATHEBNF-UHFFFAOYSA-N 338.842 4.294 5 1 EIBF CCOC(=O)CCCCCC(=O)c1coc2cc([N+](=O)[O-])ccc12 587279584 MOTQSYABSBKNPS-UHFFFAOYSA-N 333.340 4.037 5 1 EIBF Cn1c2nc3ccccc3c-2c(NCCCO)c2cc(Cl)ccc21 102994617 KIOLHQDKZLJRSS-UHFFFAOYSA-N 339.826 4.279 5 1 EIBF O=C(c1cc([N+](=O)[O-])ccc1Br)c1coc2ccccc12 587280570 JWALAQXTTVXVTJ-UHFFFAOYSA-N 346.136 4.335 5 1 EIBF CCc1cc(OCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)ccc1Cl 587052933 UQUKAWULDCHXNT-UHFFFAOYSA-N 349.749 4.405 5 1 EIBF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 587931730 MNWJDUXFCBIRED-ORAYPTAESA-N 337.379 4.233 5 1 EIBF O=[N+]([O-])c1cccc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c12 587060840 NVJJXUHJMYPGIP-UHFFFAOYSA-N 340.726 4.447 5 1 EIBF COC(=O)Cc1c(-c2ccc(Cl)cc2)[nH]c2cccc([N+](=O)[O-])c12 587644636 JESIYVYQUPBZQJ-UHFFFAOYSA-N 344.754 4.112 5 1 EIBF O=[N+]([O-])c1cc2nc(COC/C=C\c3ccccc3)[nH]c2cc1Cl 587780544 CGVZEZZKLDCIKE-DAXSKMNVSA-N 343.770 4.355 5 1 EIBF CN(C)CCCn1c(=O)c2sc3ccccc3c2c2ccccc21 27521340 CWEWUUWWUREOJL-UHFFFAOYSA-N 336.460 4.321 5 1 EIBF Cc1nc(-c2c[nH]cc2-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cs1 587021492 OFIJILXGRRGAKU-UHFFFAOYSA-N 343.343 4.037 5 1 EIBF Cc1cc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2cc1C 587270417 XKCGPNCNMVRLQE-UHFFFAOYSA-N 336.395 4.355 5 1 EIBF Cc1cc2[nH]c([C@H]3C[C@H]3c3cccc(F)c3F)nc2cc1[N+](=O)[O-] 587153235 XFYVPAASVMDAOF-QWRGUYRKSA-N 329.306 4.329 5 1 EIBF O=c1ccc2c3c(cc[n+]2Cc2ccc(Cl)cc2)c2ccccc2n13 653806243 IBXNZEJIJJGSRJ-UHFFFAOYSA-N 345.809 4.033 5 1 EIBF COc1ccc(Sc2cc(O)nc3c([N+](=O)[O-])cccc23)cc1 299868135 QYPHNJUCLOZABY-UHFFFAOYSA-N 328.349 4.008 5 1 EIBF CC(C)(C)C(=O)Nc1cccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 587241984 MULPKECERJHFNG-UHFFFAOYSA-N 338.367 4.123 5 1 EIBF O=[N+]([O-])c1ccc2nc([C@H]3NCCc4cc(Cl)ccc43)ccc2c1 963390812 MXTYNJUBNGRIDU-SFHVURJKSA-N 339.782 4.032 5 1 EIBF CC(=O)c1ccc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2c1 587139382 IVMNTUGKSGLUCD-UHFFFAOYSA-N 333.706 4.133 5 1 EIBF CCC[C@@]1(c2cccc([N+](=O)[O-])c2)CC(=O)c2cc(C)cc(N)c2O1 587390519 QXDGUFPKBYYNEP-IBGZPJMESA-N 340.379 4.146 5 1 EIBF O=[N+]([O-])c1cc(O)cc([C@H]2NCCc3cccc(-c4ccccc4)c32)c1 962667813 VTYAHFLQGNEORM-OAQYLSRUSA-N 346.386 4.203 5 1 EIBF CC[C@@H](C)NC(=O)c1cc2ccccc2c(-c2ccc([N+](=O)[O-])cc2)n1 28343566 QGARIXNQARPPSF-CYBMUJFWSA-N 349.390 4.338 5 1 EIBF O=[N+]([O-])c1ccc(NC(=S)OCCc2ccc(Cl)cc2)cc1 45497974 QCVFZJSRATUZAS-UHFFFAOYSA-N 336.800 4.204 5 1 EIBF CC/C(=C/c1ccc(OCCN(C)C)cc1)c1ccc([N+](=O)[O-])cc1 1911586907 GRPVFBZGSVXVIO-ICFOKQHNSA-N 340.423 4.486 5 1 EIBF C[C@@](C(=O)O[C@@H]1C[C@H]2CC[C@H]1[N+]2(C)C)(c1ccccc1)C1CCCC1 169702549 QFJDHDDFPKAMOX-NXLVEIQXSA-N 342.503 4.057 5 1 EIBF O=[N+]([O-])c1cc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc2cc1Cl 587084702 RTFTWDGBJFXEDS-UHFFFAOYSA-N 343.557 4.493 5 1 EIBF COc1cc(-c2nc3cc4ccccc4cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587260816 GZWXQXWIOAVVLM-UHFFFAOYSA-N 349.346 4.309 5 1 EIBF O=C(c1ccc(OC(F)F)cc1)c1coc2cc([N+](=O)[O-])ccc12 587280158 LRWNWCJTTHGKAV-UHFFFAOYSA-N 333.246 4.173 5 1 EIBF Cc1ccc(-c2csc3ncn4c(=O)c5ccccc5nc4c23)cc1 45389982 VGSWSMGTTZPVGO-UHFFFAOYSA-N 343.411 4.433 5 1 EIBF O=C(O)c1ccc2c(c1)nc(Nc1cccc(F)c1)c1ccncc12 66111487 ROVRRTZZCDGHGR-UHFFFAOYSA-N 333.322 4.364 5 1 EIBF Cc1c(-c2nc3cccc(OC(F)(F)F)c3[nH]2)cccc1[N+](=O)[O-] 587261165 XBNPKGLJTNSXKZ-UHFFFAOYSA-N 337.257 4.345 5 1 EIBF CCOC(=O)c1oc2cc(-c3cccc([N+](=O)[O-])c3)cc(O)c2c1C 28380967 NNQNMLSESZJLOK-UHFFFAOYSA-N 341.319 4.199 5 1 EIBF O=[N+]([O-])c1ccc(C2=NO[C@@H]3CCCCC[C@@H]23)cc1C(F)(F)F 95574919 KUSUWQRZGSYMFE-ZWNOBZJWSA-N 328.290 4.297 5 1 EIBF O=C(c1coc2cc([N+](=O)[O-])ccc12)C1(Br)CCCC1 587279758 RCKSUEKJBYOASI-UHFFFAOYSA-N 338.157 4.231 5 1 EIBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1-c1c([N+](=O)[O-])ccc(F)c1F 587645873 NEBYTMOMNDWVQR-UHFFFAOYSA-N 333.250 4.238 5 1 EIBF C[C@H](C(=O)O)c1c(-c2cccc(F)c2)[nH]c2cccc([N+](=O)[O-])c12 587645798 KHODGKSAFOANRV-VIFPVBQESA-N 328.299 4.070 5 1 EIBF Cc1cc(NC(=O)C2CCCCC2)nc2c1c(=O)oc1ccccc12 100288278 YWQDODSJXMHTFS-UHFFFAOYSA-N 336.391 4.168 5 3 EIBF COc1cc2c3c(c4ccccc4c2cc1OC)[C@@H](O)[C@H]1CCCN1C3 66259903 ANQNMLURNXPSDY-GCJKJVERSA-N 349.430 4.022 5 1 EIBF CCO[P@](=O)(NC(C)C)Oc1ccc2ccccc2c1[N+](=O)[O-] 72123379 RRQQXUNSYMFZJI-HSZRJFAPSA-N 338.300 4.269 5 1 EIBF O=[N+]([O-])c1cccc(-c2cc(N[C@H]3CCc4ccccc43)ncn2)c1 82160491 PEKYWWGEJNDGSA-KRWDZBQOSA-N 332.363 4.151 5 1 EIBF CN(C)C(=O)[C@H]1CC(c2ccc3ccc4cccc5ccc2c3c45)=NO1 84604866 ZKADKSCDLPHUID-LJQANCHMSA-N 342.398 4.165 5 1 EIBF CC[C@@H]1OCCC[C@@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 586910708 JLEKQUFUGBCSCJ-WFASDCNBSA-N 332.407 4.332 5 1 EIBF Cc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(F)F)cc1 587646362 PZCZVWBXAQIVPO-UHFFFAOYSA-N 330.290 4.499 5 1 EIBF O=C(O)c1cc2cc(/C=C/c3ccccc3[N+](=O)[O-])ccc2cc1O 1857570693 YMYATBOUFSZSSG-FNORWQNLSA-N 335.315 4.322 5 1 EIBF CC(C)(Nc1ncc([N+](=O)[O-])c(NC2CCCC2)n1)c1ccccc1 64531807 MSQRMZLDWYPVSS-UHFFFAOYSA-N 341.415 4.087 5 1 EIBF CCOC(=O)c1c(-c2ccccc2[N+](=O)[O-])[nH]c2cc(F)ccc12 587635810 NMYYJFJNHBEXCT-UHFFFAOYSA-N 328.299 4.059 5 1 EIBF C[C@@H](c1nc2c3cccnc3c3ncccc3c2[nH]1)n1cc(Cl)cn1 587082156 MALORPLYZSGLIM-JTQLQIEISA-N 348.797 4.119 5 1 EIBF Cc1ccc2c(ccc3nc(CCc4cccc([N+](=O)[O-])c4)[nH]c32)n1 587270956 XYQJMFPFBBJCRL-UHFFFAOYSA-N 332.363 4.113 5 1 EIBF O=[N+]([O-])c1ccc(Nc2nc(-c3ccccc3)nc3ncccc23)cc1 1772634950 GCKSHISDHZSEHC-UHFFFAOYSA-N 343.346 4.344 5 1 EIBF CC(=O)Oc1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2cc(Cl)c(F)cc12 587631118 HBUBNIOEPDKUMG-UHFFFAOYSA-N 348.717 4.461 5 1 EIBF CCOc1ccc(OCC)c(-c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c1 587779217 YVHXXORBDGLTLF-UHFFFAOYSA-N 341.367 4.244 5 1 EIBF CCCC1(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CCC1 586877591 FZZDDWCHDNVYFN-UHFFFAOYSA-N 338.205 4.455 5 1 EIBF O=[N+]([O-])c1ccc2[nH]c(-c3ccc(-c4nccs4)s3)nc2c1 587023560 MDJZKFCIVVESGQ-UHFFFAOYSA-N 328.378 4.323 5 1 EIBF O=C1C[C@H](c2cc(F)ccc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587502976 JPQBIBXIERMXCH-GOSISDBHSA-N 341.338 4.319 5 1 EIBF O=c1[nH]c(C23CC4CC(CC(C4)C2)C3)cc2c1c(=O)oc1ccccc12 5544450 DBGDBAKUONXXJW-UHFFFAOYSA-N 347.414 4.102 5 1 EIBF Cc1ccc2c3c(c4c(nc13)[C@@H]([N+](=O)[O-])CCC4)-c1ccccc1C2=O 587098654 RKRDTVBTRVRHCC-INIZCTEOSA-N 344.370 4.409 5 1 EIBF CCc1c([C@@H](C)NC(=O)OC(C)(C)C)[nH]c2cccc([N+](=O)[O-])c12 587647143 RRUZAMCVMODSML-SNVBAGLBSA-N 333.388 4.224 5 1 EIBF O=c1[nH]c(O)c2c3c[nH]c4cccc(oc5nc6ccccc6c-5c1-2)c43 2356759297 ZRFZDXJUCWCPME-UHFFFAOYSA-N 341.326 4.066 5 1 EIBF CCc1cccc2c1[C@H](Cc1ccc(OC)c(OC)c1)[N+](C)(C)CC2 13648584 QCUFYJNYERATCK-IBGZPJMESA-N 340.487 4.183 5 1 EIBF O=[N+]([O-])c1ccc(COc2ccccc2-c2nc3cccnc3o2)cc1 1772573581 AMNGFOAGIOJJRX-UHFFFAOYSA-N 347.330 4.377 5 1 EIBF O=C(O)Cc1cccc(Cl)c1Oc1c(Cl)cccc1[N+](=O)[O-] 26397402 CTILTIDOGWWBGM-UHFFFAOYSA-N 342.134 4.321 5 1 EIBF O=C1C[C@@H](c2csc([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587532009 OFFGXWDLFJHYFT-HNNXBMFYSA-N 329.377 4.242 5 1 EIBF CCCc1c(O)ccc2c1O[C@H](c1ccc(F)cc1[N+](=O)[O-])CC2=O 587467311 QQCXINLGVWFQLG-KRWDZBQOSA-N 345.326 4.099 5 1 EIBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C)cc1[N+](=O)[O-])CC2=O 587468608 CMPKRLDKAPLYGJ-GOSISDBHSA-N 341.363 4.268 5 1 EIBF Nc1ccc(/C=C\c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 587251466 FGXPKUOLMRLBSG-YFHOEESVSA-N 337.386 4.412 5 1 EIBF CCCc1c(O)ccc2c1O[C@@H](c1cccc([N+](=O)[O-])c1F)CC2=O 587465345 CEGRGMODZMRWGY-MRXNPFEDSA-N 345.326 4.099 5 1 EIBF C[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H]([N+](=O)[O-])CC[C@H]12 96175843 SCLZOWKUTFYLGM-HESXETMVSA-N 335.488 4.425 5 1 EIBF O=[N+]([O-])c1cc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2cc1Cl 587036714 KKJIVGDLOOCDHN-ZDUSSCGKSA-N 349.799 4.043 5 1 EIBF O=[N+]([O-])c1cc(Cl)ccc1-n1nc2cc1Oc1ccc(F)cc1-2 587873639 FUJZMLJSQLJNBW-UHFFFAOYSA-N 331.690 4.346 5 1 EIBF CCc1cccc2c1[C@@H](Cc1ccc(OC)c(OC)c1)[N+](C)(C)CC2 13648587 QCUFYJNYERATCK-LJQANCHMSA-N 340.487 4.183 5 1 EIBF O=C1C[C@@H](c2ccc([N+](=O)[O-])s2)Oc2c1ccc1c2CCCC1 587531460 KMNLTFMFDWVZTR-AWEZNQCLSA-N 329.377 4.242 5 1 EIBF CCC(=O)OC[n+]1ccc2c(C)c3[nH]c4ccccc4c3c(C)c2c1 1622709 GSHHQYUFZNRUED-UHFFFAOYSA-O 333.411 4.289 5 1 EIBF CCCc1c(O)ccc2c1O[C@@H](c1ccc([N+](=O)[O-])s1)CC2=O 587492165 BDFAVORLWIRTJB-CYBMUJFWSA-N 333.365 4.021 5 1 EIBF O=[N+]([O-])c1cncc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c12 587145335 LBBFOBMUKXZYTB-UHFFFAOYSA-N 348.337 4.263 5 1 EIBF O=C1C[C@]2(CCc3ccc([N+](=O)[O-])cc32)Oc2c1ccc1c2CCCC1 587511020 CVJGXQFPLRTNFV-NRFANRHFSA-N 349.386 4.281 5 1 EIBF CN(C)CCn1c2ccccc2c2nc3cc4ccccc4cc3nc21 1632588 LBLODJMEBRDDPY-UHFFFAOYSA-N 340.430 4.453 5 1 EIBF CCCc1nc2c(s1)CCc1onc(-c3cccc([N+](=O)[O-])c3)c1-2 12726546 CMDPVJGORWEYHZ-UHFFFAOYSA-N 341.392 4.424 5 3 EIBF Cc1ccccc1-c1ccc(Cc2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 587959591 PYGUTLHWYAPZJU-UHFFFAOYSA-N 344.374 4.432 5 1 EIBF O=[N+]([O-])c1cc(/C=C/c2nc3c(Cl)ccnc3[nH]2)ccc1Cl 587048307 SBNIAMHNCPRDKO-DUXPYHPUSA-N 335.150 4.343 5 1 EIBF O=[N+]([O-])c1cc2[nH]c(-c3ccc(Br)o3)nc2cc1Cl 587008884 ZNSGHQBLUKZWIJ-UHFFFAOYSA-N 342.536 4.147 5 1 EIBF CCC[C@]1(c2cccc([N+](=O)[O-])c2)CC(=O)c2cc(C)cc(N)c2O1 587390523 QXDGUFPKBYYNEP-LJQANCHMSA-N 340.379 4.146 5 1 EIBF COc1ccc2c(c1)C[C@@H](c1nc3cc([N+](=O)[O-])c(C)cc3[nH]1)CC2 587944998 DAUMITPGTZQJPS-ZDUSSCGKSA-N 337.379 4.061 5 1 EIBF O=[N+]([O-])c1ccc(-n2cc(-c3ccc(C(F)(F)F)cc3)cn2)cc1 103199930 CLDQYHFVCCQQSE-UHFFFAOYSA-N 333.269 4.466 5 1 EIBF O=C(O)c1cc(=O)c2c(ccc3sc4ccc(Cl)cc4c32)[nH]1 169319945 CFYQJQPGSOVGND-UHFFFAOYSA-N 329.764 4.248 5 1 EIBF CNc1cc(Cl)ccc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587066783 HKTHHIIMRPTWRF-UHFFFAOYSA-N 337.166 4.487 5 1 EIBF COC[C@](C)(CO)NCc1ccc2ccc3cccc4ccc1c2c34 26467977 KIZJPOVJOMFMIX-QFIPXVFZSA-N 333.431 4.071 5 1 EIBF CN(C(=N)Nc1cccc2ccccc12)c1ccc(F)c([N+](=O)[O-])c1 299825067 VOJHNRAEFMRTOU-UHFFFAOYSA-N 338.342 4.370 5 1 EIBF CCOC(=O)c1c(-c2ccccc2F)[nH]c2cc([N+](=O)[O-])ccc12 587645789 KFJJHRORWHQXTQ-UHFFFAOYSA-N 328.299 4.059 5 1 EIBF O=C(O)Cc1c(-c2ccc(F)c(Cl)c2)[nH]c2cc([N+](=O)[O-])ccc12 587646595 WTUXQNHWRRPBQI-UHFFFAOYSA-N 348.717 4.163 5 1 EIBF C[N+]1(C)CCC[C@@H]1c1ccc(C(O)(c2ccccc2)c2ccccc2)o1 45260527 LPJZXUYTCJIHTG-HXUWFJFHSA-N 348.466 4.475 5 1 EIBF CC[C@@H]1OCCC[C@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 586910703 JLEKQUFUGBCSCJ-DOMZBBRYSA-N 332.407 4.332 5 1 EIBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cnc(Cl)cc3[nH]2)o1 587264519 HHRCOQRPNGDJIO-UHFFFAOYSA-N 340.726 4.447 5 1 EIBF CCOc1cc(-c2cccc(F)c2)nn1-c1cccc(F)c1[N+](=O)[O-] 587870996 NDGLDOJKFHNICB-UHFFFAOYSA-N 345.305 4.124 5 1 EIBF O=Nc1[nH]c(O)c(-c2ccc(O)c([N+](=O)[O-])c2)c1-c1ccccc1 2356837430 USHVEFFKMOOCLY-UHFFFAOYSA-N 325.280 4.066 5 1 EIBF COC(=O)c1cc2c3ccccc3[nH]c2c2cn(C3CCCCC3)c[n+]12 299844614 KPEWLDILOHTXPH-UHFFFAOYSA-O 348.426 4.153 5 1 EIBF CCCSc1ncccc1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587280150 LKHKUCNTCFTRSZ-UHFFFAOYSA-N 342.376 4.469 5 1 EIBF Cc1[nH]c2ccc(F)c(Cl)c2c1C(=O)Nc1cccc([N+](=O)[O-])c1 587631413 LLHJQDKJBLTHLW-UHFFFAOYSA-N 347.733 4.429 5 1 EIBF O=C(O)c1ccc2c(c1)nc(NCCc1ccccc1)c1ccncc12 66112501 XNRLOZWUTBNQJG-UHFFFAOYSA-N 343.386 4.136 5 1 EIBF COc1cc(C2(c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)CC2)ccc1C 587928040 WSHYPLCHYXCWQH-UHFFFAOYSA-N 341.342 4.007 5 1 EIBF COc1cccc(C2(c3nc4cccc([N+](=O)[O-])c4[nH]3)CCCC2)c1 587933152 KYYSFYSTLPJMDO-UHFFFAOYSA-N 337.379 4.340 5 1 EIBF Fc1ccc(OCc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 587167908 ATKJBJVAKLFHBG-UHFFFAOYSA-N 344.349 4.377 5 1 EIBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc([N+](=O)[O-])ccc1Cl)O2 587374145 HBSVAIKLZWIDOJ-KRWDZBQOSA-N 346.770 4.019 5 1 EIBF CCCCCCOc1ccc(C(=O)OCCCC[N+](C)(C)C)cc1 13741638 RWRWGKWHDQADAQ-UHFFFAOYSA-N 336.496 4.289 5 1 EIBF CCN(CC)c1nc(O)c2c(n1)c(OC)cc1c3ccccc3oc12 653697852 VDHOGOMTVIRHFM-UHFFFAOYSA-N 337.379 4.090 5 1 EIBF O=[N+]([O-])c1ccc(C(=S)Nc2ccc(C(F)(F)F)cc2)cc1 40891537 VNVHFGDUXJROEF-UHFFFAOYSA-N 326.299 4.401 5 1 EIBF CCO[C@H](C)c1nc(C)c(-c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)s1 587014892 SSMVVXGWHLQNGY-SNVBAGLBSA-N 346.412 4.309 5 1 EIBF COC(=O)Nc1ccc(-c2cc3c4c(cccc4n2)CC3)c([N+](=O)[O-])c1 587210797 IDQCCCJIZWFPAF-UHFFFAOYSA-N 349.346 4.087 5 1 EIBF Cc1ccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2c1C 587268745 CUZWKKDLFPQTOQ-UHFFFAOYSA-N 336.395 4.355 5 1 EIBF CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1F)CC2=O 587467032 PQLLIABXJLYVSE-QGZVFWFLSA-N 345.326 4.099 5 1 EIBF CCN(CC)CCC[C@@H](C)Nc1ccnc2ccc([N+](=O)[O-])cc12 4256579 VXBNCOZSCHIUCP-CQSZACIVSA-N 330.432 4.065 5 1 EIBF O=c1c2ccccc2n(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 95577674 PUJLYWBGHLAZMW-UHFFFAOYSA-N 330.343 4.111 5 1 EIBF COc1ccccc1-c1ccc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)cc1 587932459 OOIAFCSOLZAQDB-UHFFFAOYSA-N 346.346 4.209 5 1 EIBF COc1ccc2oc3c(CC=C(C)C)c(OC)cc(O)c3c(=O)c2c1 238780891 KWTMKMLGOHAOCU-UHFFFAOYSA-N 340.375 4.178 5 1 EIBF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1[N+](=O)[O-] 587507926 DHMQQWVUPBLXMA-LJQANCHMSA-N 337.375 4.489 5 1 EIBF Cc1[nH]c(C)c([N+](=O)[O-])c(=O)c1-c1ccc(Oc2ccccc2)cc1 45337851 JABJGZGOBODTHP-UHFFFAOYSA-N 336.347 4.359 5 1 EIBF O=C(Nc1cccc(C2=Nc3ccccc3C2)c1)c1ccc([N+](=O)[O-])o1 66259665 CAFKPJYCMCGJFJ-UHFFFAOYSA-N 347.330 4.117 5 1 EIBF C[C@@H](Nc1cc(-c2cccc([N+](=O)[O-])c2)ncn1)c1ccc(F)cc1 82162165 LQTIDWOYHLGVBW-GFCCVEGCSA-N 338.342 4.364 5 1 EIBF Cc1[nH]c2c(C(=O)O)cccc2c1-c1c([N+](=O)[O-])ccc(F)c1F 587637201 DIYHJAFGFVKFNU-UHFFFAOYSA-N 332.262 4.028 5 1 EIBF c1ccc(-c2cc3nc(N4CCCC4)c4ccccc4c3nn2)cc1 28758442 FRXHUKCFBXGFBN-UHFFFAOYSA-N 326.403 4.445 5 1 EIBF c1cc2ccc3ncc(-c4ccc(N5CCOCC5)cc4)cc3c2cn1 28957585 SKSXHKGHLRZGHK-UHFFFAOYSA-N 341.414 4.287 5 1 EIBF CCc1ccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1CC 586880457 ZIWWXYZNMISBFI-UHFFFAOYSA-N 340.339 4.171 5 1 EIBF Cc1cc2[nH]c([C@@H]3SCCc4sccc43)nc2cc1[N+](=O)[O-] 587037846 ZKFWRIZYAOGSIB-CQSZACIVSA-N 331.422 4.220 5 1 EIBF Cc1ccc(OCCc2ccc(Cl)cc2Cl)c([N+](=O)[O-])n1 66129025 USQCWLFLNYTENO-UHFFFAOYSA-N 327.167 4.227 5 1 EIBF C[C@@](C(=O)O[C@@H]1C[C@H]2CC[C@@H]1[N+]2(C)C)(c1ccccc1)C1CCCC1 169702547 QFJDHDDFPKAMOX-XAPVIXHLSA-N 342.503 4.057 5 1 EIBF Cc1nc(C2CC2)sc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587012644 QIMBCJKSRUYJON-UHFFFAOYSA-N 334.788 4.434 5 1 EIBF Cc1cccc(C(C)C)c1NC(=O)Nc1ccc([N+](=O)[O-])cc1O 45365920 MUNUDJMIBVTCOZ-UHFFFAOYSA-N 329.356 4.376 5 1 EIBF CCCN1CCC(COc2nc3ccccc3c3ncccc23)CC1 95571600 MREMSPSMZSVSJS-UHFFFAOYSA-N 335.451 4.284 5 1 EIBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(C(C)(C)C)cc2[nH]1 587267632 BYJJXNFRLRAVEU-UHFFFAOYSA-N 341.415 4.137 5 1 EIBF O=[N+]([O-])c1cc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c2cc1F 587097193 GJDJZBHGEZWDRZ-UHFFFAOYSA-N 343.211 4.435 5 1 EIBF CSCC[C@@](C)(O)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 28820594 DJOCDXQNTSDOFI-CYBMUJFWSA-N 348.346 4.056 5 1 EIBF O=C(c1ccccc1[N+](=O)[O-])c1cc2c(ccc3ccccc32)oc1=O 40950202 OMUZOZGDVWBXLT-UHFFFAOYSA-N 345.310 4.085 5 1 EIBF COc1ccc2cc(-c3cc(C(C)=O)c(O)c([N+](=O)[O-])c3)ccc2c1 299825907 LRSKAWWXZFDBDK-UHFFFAOYSA-N 337.331 4.332 5 1 EIBF O=[N+]([O-])c1ccc(F)c(F)c1Cc1cc2c3c(cccc3n1)CC2 587210143 GRXXLOKEYVCAJL-UHFFFAOYSA-N 326.302 4.111 5 1 EIBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(Cl)nccc3[nH]2)o1 587264168 CNWHQHFTPWDYBT-UHFFFAOYSA-N 340.726 4.447 5 1 EIBF CCCc1c(O)ccc2c1O[C@H](c1ccc([N+](=O)[O-])s1)CC2=O 587492167 BDFAVORLWIRTJB-ZDUSSCGKSA-N 333.365 4.021 5 1 EIBF CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)n1 587081139 WHAVZOYXCHMZHC-SSDOTTSWSA-N 337.742 4.098 5 1 EIBF CC[C@H](C)n1cc(Cl)c(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)n1 587081140 WHAVZOYXCHMZHC-ZETCQYMHSA-N 337.742 4.098 5 1 EIBF O=C(O)Cc1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)cc1Cl 28766964 ASWKMXGQJPORMK-UHFFFAOYSA-N 342.134 4.321 5 1 EIBF O=[N+]([O-])c1cc2c3c(c([N+](=O)[O-])c([N+](=O)[O-])cc3c1)-c1ccccc1-2 43947467 WJRXFNAKNAZDCL-UHFFFAOYSA-N 337.247 4.212 5 1 EIBF O=[N+]([O-])c1ccc(C[n+]2ccc(-c3cc4ccccc4o3)cc2)cc1 299844653 OHHSCDSOAOGOTG-UHFFFAOYSA-N 331.351 4.344 5 1 EIBF O=[N+]([O-])c1ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 587050992 WKLRRMONUXXHQT-KXFIGUGUSA-N 344.714 4.203 5 1 EIBF C[C@@H]1CCCCN1CCc1nc2ccccc2c2nc3ccccc3n12 31848103 YFRALAQKARCUGI-MRXNPFEDSA-N 344.462 4.453 5 1 EIBF OC[C@@H](c1ccc2c(c1)OCO2)c1c2ccccc2nc2ccccc12 11689465 RVEUDTXJLDUWSX-KRWDZBQOSA-N 343.382 4.241 5 1 EIBF CC[C@@]12C=C[C@@H](O1)[C@@H](C(=O)c1ccccc1)[C@H]2c1ccc([N+](=O)[O-])cc1 299845024 DAJBYLUBGUBPJS-XCJLJZCSSA-N 349.386 4.295 5 1 EIBF O=C(O)c1cc(-c2[nH]c3cccc([N+](=O)[O-])c3c2-c2ccccc2)c[nH]1 587648535 HMFDJTOWRDMFIS-UHFFFAOYSA-N 347.330 4.436 5 1 EIBF O=[N+]([O-])c1ccc2cc(-c3nnc(-c4cccc(F)c4)o3)oc2c1 1857567278 KWENEIIRGXLINZ-UHFFFAOYSA-N 325.255 4.197 5 1 EIBF O=C1C[C@@H](c2cccc([N+](=O)[O-])c2F)Oc2c1ccc1c2CCCC1 587507990 WYMVXXVHNHZMBC-KRWDZBQOSA-N 341.338 4.319 5 1 EIBF COc1cc(C)ccc1OCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587564232 PDAPMHURVUBRFC-UHFFFAOYSA-N 347.758 4.021 5 1 EIBF Cc1ccc(-n2nc(C)c(Sc3ccccc3[N+](=O)[O-])c2N)cc1 4979968 YRRWWPPJLYWDES-UHFFFAOYSA-N 340.408 4.131 5 3 EIBF CC(=O)c1ccccc1-c1c2ccc(=N)cc-2oc2cc(N)ccc12 33998591 FCKJRYOPYPEWNQ-UHFFFAOYSA-N 328.371 4.469 5 1 EIBF investigational Cc1ccc(OCCOc2cccc(Cl)c2Cl)c([N+](=O)[O-])n1 73222291 KDMLSEOGTAZAIG-UHFFFAOYSA-N 343.166 4.063 5 1 EIBF Cc1noc(C)c1-c1ccc2ncn(Cc3ccccc3[N+](=O)[O-])c2c1 169322612 HXMDYFQZVAMNLN-UHFFFAOYSA-N 348.362 4.265 5 1 EIBF O=[N+]([O-])c1cc2nc(CCc3cc4ccccc4o3)[nH]c2cc1F 586904587 YAKRMFXZUKETOZ-UHFFFAOYSA-N 325.299 4.142 5 1 EIBF O=[N+]([O-])c1cccc(CCc2nc3cccc(Br)c3[nH]2)c1 587270706 QSFKSWUWMKFBEZ-UHFFFAOYSA-N 346.184 4.019 5 1 EIBF C[C@H](C(=O)O)c1c(-c2cccc(F)c2)[nH]c2cc([N+](=O)[O-])ccc12 587646296 ZMGZBUAEBSDKDU-VIFPVBQESA-N 328.299 4.070 5 1 EIBF CCOc1cc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)ccc1C 587778453 NBHMSKJEBVYSIO-UHFFFAOYSA-N 331.759 4.499 5 1 EIBF O=C(Nc1ccc([N+](=O)[O-])cc1)c1nc2cc(Cl)ccc2s1 1857749963 WQMCAGMSKCXMKR-UHFFFAOYSA-N 333.756 4.110 5 1 EIBF O=[N+]([O-])c1cc(/C=C\c2nc3cc4cn[nH]c4cc3[nH]2)ccc1Cl 587050434 QHGRFYYJFOXRFN-RQOWECAXSA-N 339.742 4.171 5 1 EIBF Cc1cc(Cl)cc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c12 587159557 RQTHQYGVNPLACA-UHFFFAOYSA-N 335.722 4.151 5 1 EIBF O=C(c1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1)N1CCCC1 118724 PMAZNLMYJONNEA-UHFFFAOYSA-N 346.770 4.277 5 3 EIBF O=C1C[C@H](c2ccc([N+](=O)[O-])c(F)c2)Oc2c1ccc1c2CCCC1 587508363 VGXPFRFMDSZWTQ-GOSISDBHSA-N 341.338 4.319 5 1 EIBF O=[N+]([O-])c1cccc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc12 587067980 DYHXRJCWWYBBIC-UHFFFAOYSA-N 339.742 4.182 5 1 EIBF Cc1cc2[nH]c([C@@H]3Cc4cc(Cl)ccc4O3)nc2cc1[N+](=O)[O-] 587081490 XOSIKBQPQNXLJV-HNNXBMFYSA-N 329.743 4.109 5 1 EIBF CCOC(=O)c1c(-c2ccc(F)cc2F)[nH]c2cccc([N+](=O)[O-])c12 587645999 PUOLRXHCNZPWIO-UHFFFAOYSA-N 346.289 4.198 5 1 EIBF CC[C@H]1OCCC[C@@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1 586908763 DAPINWASFPRMFV-HXPMCKFVSA-N 332.407 4.332 5 1 EIBF COc1cc(O)c2c(c1)cc(C)c1c3c(c(=O)oc12)C=CC(C)(C)O3 14883261 OGTVKOGEJPVHQE-UHFFFAOYSA-N 338.359 4.153 5 1 EIBF biogenic,in-vitro Nc1c(F)cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1F 587135282 YFNRBGAOYUKQRQ-UHFFFAOYSA-N 347.328 4.187 5 1 EIBF Cc1cc(Br)c2nc(-c3cc([N+](=O)[O-])c(C)o3)[nH]c2c1 587269087 PIMNUCMMKHCOOB-UHFFFAOYSA-N 336.145 4.110 5 1 EIBF COc1ccc([C@@H](CC(=O)c2cc3ccccc3o2)C[N+](=O)[O-])cc1 43066247 YSCIGSRMXLSCPA-HNNXBMFYSA-N 339.347 4.075 5 1 EIBF O=C(O)c1cc2c(Nc3cccc(Cl)c3)ccc([N+](=O)[O-])c2[nH]1 103244231 XMGPBVYOHVGVKG-UHFFFAOYSA-N 331.715 4.171 5 1 EIBF Cc1c(-c2ccc(Cl)c([N+](=O)[O-])c2)[nH]c2c(C(=O)O)cccc12 587639182 XFYPXUKLMIXTNY-UHFFFAOYSA-N 330.727 4.403 5 1 EIBF COC(=O)c1ccc2c(c1)nc(Nc1ccccc1)c1ccncc12 139805137 ZDRFMOGTFALGGJ-UHFFFAOYSA-N 329.359 4.313 5 1 EIBF CN(C[C@H](O)c1ccccc1)c1cc(=O)c2ccc3ccccc3c2o1 13676941 NWEHSLMNLGXUJR-FQEVSTJZSA-N 345.398 4.116 5 1 EIBF Cc1ccc(SCCN(C)C)c2c(=O)c3ccccc3sc12 27869209 XSUZZGIAOLFLEJ-UHFFFAOYSA-N 329.490 4.377 5 1 EIBF C[N+]1(C)CCC[C@H]1c1ccc(C(O)(c2ccccc2)c2ccccc2)o1 45260530 LPJZXUYTCJIHTG-FQEVSTJZSA-N 348.466 4.475 5 1 EIBF Cc1oc(-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-] 587268927 NKBNPVUHIRWGQP-UHFFFAOYSA-N 329.209 4.197 5 1 EIBF O=C(c1cc(Cl)cnc1Cl)c1coc2cc([N+](=O)[O-])ccc12 587279805 BCYYLARWRVVXHL-UHFFFAOYSA-N 337.118 4.274 5 1 EIBF C[C@]12CC=C(C[N+](=O)[O-])C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 2356842471 DTXNPOBNJOPXJO-DSWGTCOTSA-N 333.472 4.203 5 1 EIBF CC[C@]12CCC[N@+]3([O-])CCc4c(n(c5ccccc45)[C@H](OC)C1)[C@H]23 255222473 KFAHAKAGWDLBIH-PBVWOCPUSA-N 326.440 4.292 5 1 EIBF Cc1c(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)oc2c1[C@@H](O)CCC2 586905606 VLYBSOWIZMUNJG-LBPRGKRZSA-N 347.758 4.063 5 1 EIBF CC[C@H](Oc1ccccc1F)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587154664 GJMSKBGTJRIRGE-AWEZNQCLSA-N 333.294 4.279 5 1 EIBF O=C1C[C@H](c2cc(F)cc([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587501937 HAUSVPWOBDYVEI-GOSISDBHSA-N 341.338 4.319 5 1 EIBF O=C1C[C@H](c2csc([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587532010 OFFGXWDLFJHYFT-OAHLLOKOSA-N 329.377 4.242 5 1 EIBF O=C(Nc1ccccc1)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587645511 XOFQXIFVVGOUCZ-UHFFFAOYSA-N 349.268 4.347 5 1 EIBF O=C1Nc2c(ccc(Cl)c2Cl)/C1=C/c1ccc([N+](=O)[O-])cc1 45261302 DASDMXQNOXZMTK-XFFZJAGNSA-N 335.146 4.394 5 1 EIBF O=C(c1ccc(Br)cc1)c1coc2cc([N+](=O)[O-])ccc12 587279698 OXAUWLKQOMOOKO-UHFFFAOYSA-N 346.136 4.335 5 1 EIBF CC1(C)COc2c(-c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)cccc21 586912517 VDYOSKMFHQXLAT-UHFFFAOYSA-N 343.770 4.462 5 1 EIBF CC[C@@H](Oc1ccccc1Cl)c1nc2cncc([N+](=O)[O-])c2[nH]1 587061982 MZONEXBOZSMIPD-GFCCVEGCSA-N 332.747 4.050 5 1 EIBF CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(C)c([N+](=O)[O-])cc3[nH]2)n1 587078886 CNLJOFKREIYWKQ-SECBINFHSA-N 333.779 4.267 5 1 EIBF O=[N+]([O-])c1cc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2cc1F 587085493 WOPJOYILUBUQJB-UHFFFAOYSA-N 342.717 4.479 5 1 EIBF O=C1NC(=O)c2c1c1c3c(ccc1c1[nH]c4ccccc4c21)CCCC3 13554106 JHPGPLSKVAHFFK-UHFFFAOYSA-N 340.382 4.237 5 1 EIBF COc1ccc(C(=O)Nc2ccc3nc4ccccc4nc3c2)cc1 96935024 ASCYHHDVLGNAFK-UHFFFAOYSA-N 329.359 4.044 5 1 EIBF O=[N+]([O-])c1ccc(C2=NN[C@H](c3ccc(Cl)cc3Cl)C2)cc1 98082963 DJCPDORTSQVIER-HNNXBMFYSA-N 336.178 4.340 5 1 EIBF C[C@H](c1ccc(N(C)C)cc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587195832 ODKPUYMYKIHQSX-SNVBAGLBSA-N 344.802 4.342 5 1 EIBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(Cl)c(C)c3[nH]2)c1 587262856 ZDGHMHAOWPXQDA-UHFFFAOYSA-N 345.786 4.363 5 1 EIBF Cc1ccccc1C(C)(C)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587956030 YCHYHKUGZYGZML-UHFFFAOYSA-N 340.339 4.014 5 1 EIBF CC[C@]1(Cc2nc3cccc([N+](=O)[O-])c3[nH]2)CC(=O)c2ccccc2C1 587961692 STXABYJQAPGZAO-HXUWFJFHSA-N 349.390 4.239 5 1 EIBF CC(C)=CCn1c2ccc(Br)c(=O)c-2nc2ccccc21 83920701 SPXDZPBINDWJSY-UHFFFAOYSA-N 343.224 4.230 5 1 EIBF in-vitro O=[N+]([O-])c1ccc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2c1 587110230 XBKIKFLCYSOEDA-UHFFFAOYSA-N 325.221 4.296 5 1 EIBF FC(F)(F)[C@H]1C[C@@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1 587094001 YFAMLKSRDJXOJF-IUCAKERBSA-N 328.297 4.325 5 1 EIBF O=[N+]([O-])c1ccc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2c1 587120475 KQFUQXZIJXIBDV-UHFFFAOYSA-N 347.256 4.033 5 1 EIBF FC(F)(F)[C@H]1C[C@@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 587093558 PAXSEXYPHQTULZ-QWRGUYRKSA-N 328.297 4.325 5 1 EIBF O=C1C[C@H](Cc2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CCCC1 587511089 DEXVTNAZEOREMG-INIZCTEOSA-N 337.375 4.050 5 1 EIBF Nc1ccc(/C=C/c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 587251465 FGXPKUOLMRLBSG-JXMROGBWSA-N 337.386 4.412 5 1 EIBF O=[N+]([O-])c1ccc2c(c1)CC[C@H](NCCCCc1ccccc1)CC2 653779494 AXPJTEPRVLKIKC-HXUWFJFHSA-N 338.451 4.455 5 1 EIBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(F)cc(F)c3[nH]2)c1F 587139277 FLCOFQCMMAWBLR-UHFFFAOYSA-N 327.649 4.209 5 1 EIBF COc1cccc(CCC(=O)c2coc3cc([N+](=O)[O-])ccc23)c1F 587280250 PPVLFYVSCWNMHC-UHFFFAOYSA-N 343.310 4.304 5 1 EIBF Cc1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3c(c21)C(=O)NC3=O 13519375 ZPEBZVFGLUUCDX-UHFFFAOYSA-N 339.354 4.148 5 1 EIBF COc1ccc2cnc3c4cc5c(cc4ccc3c2c1OC)OCO5 238753629 GGOQNPMQWNXDQK-UHFFFAOYSA-N 333.343 4.287 5 1 EIBF C[C@](C(=O)O[C@@H]1C[C@H]2CC[C@H]1[N+]2(C)C)(c1ccccc1)C1CCCC1 473180435 QFJDHDDFPKAMOX-VMBXEPDQSA-N 342.503 4.057 5 1 EIBF O=[N+]([O-])c1cc(F)cc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1 587160434 RNCQSADAUIXFAQ-UHFFFAOYSA-N 341.220 4.176 5 1 EIBF O=C(c1cccc(Br)c1)c1coc2cc([N+](=O)[O-])ccc12 587279017 DLNBEFKPLCXSQM-UHFFFAOYSA-N 346.136 4.335 5 1 EIBF Cc1cc(NC(=O)c2ccccc2F)nc2c1c(=O)oc1ccccc12 100711197 BZXHNNQBAGEBMR-UHFFFAOYSA-N 348.333 4.041 5 3 EIBF COc1cccc(C(=O)c2c(C(F)F)[nH]c3cccc([N+](=O)[O-])c23)c1 587646392 RCRAUXKQHZUWDM-UHFFFAOYSA-N 346.289 4.253 5 1 EIBF CCc1ccc(CCNc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)cc1 82162298 NRDXVMMJGDPNLS-UHFFFAOYSA-N 348.406 4.269 5 1 EIBF Cc1[nH]c2c(C(=O)O)cccc2c1-c1ccc(Cl)cc1[N+](=O)[O-] 587638122 JHOAXWMPYKELJH-UHFFFAOYSA-N 330.727 4.403 5 1 EIBF Cc1ncc([N+](=O)[O-])n1CCO[C@H](c1ccccc1)C1CCCCC1 28460938 AAXXMQQUPDDYOT-LJQANCHMSA-N 343.427 4.438 5 1 EIBF O=C1CCC[C@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)CC1 586885886 OCZNUWYUEARLLL-LBPRGKRZSA-N 330.391 4.276 5 1 EIBF CC[C@H]1OCCC[C@@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 586910705 JLEKQUFUGBCSCJ-SWLSCSKDSA-N 332.407 4.332 5 1 EIBF Cc1cccc(OCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1C 587563708 HQNSAUJCEUTQQN-UHFFFAOYSA-N 331.759 4.320 5 1 EIBF Cc1ccc2c3c(c4c(nc13)[C@H]([N+](=O)[O-])CCC4)-c1ccccc1C2=O 587098656 RKRDTVBTRVRHCC-MRXNPFEDSA-N 344.370 4.409 5 1 EIBF O=C1C[C@@H](c2ccc([N+](=O)[O-])c(F)c2)Oc2c1ccc1c2CCCC1 587508366 VGXPFRFMDSZWTQ-SFHVURJKSA-N 341.338 4.319 5 1 EIBF O=C(O)Cc1ccccc1Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-] 26386740 PNXMDBRTOSAIKV-UHFFFAOYSA-N 342.134 4.321 5 1 EIBF CCCC1(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)CCC1 586877521 BNCCGNDYDGUCTR-UHFFFAOYSA-N 338.205 4.455 5 1 EIBF O=[N+]([O-])c1cc(/C=C\c2nc3c(Cl)ccnc3[nH]2)ccc1Cl 587048310 SBNIAMHNCPRDKO-RQOWECAXSA-N 335.150 4.343 5 1 EIBF CCO[C@@H](C)c1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2N)cc1 587647981 WVHBGZKGOHKYGQ-NSHDSACASA-N 325.368 4.423 5 1 EIBF Cc1ccc(-c2noc(-c3c(C)[nH]c4cc([N+](=O)[O-])ccc34)n2)cc1 587649046 OLNBUHYDCCRCMM-UHFFFAOYSA-N 334.335 4.410 5 1 EIBF CN1CCC[C@@H]1CCNc1ccc2sc3ccccc3c(=O)c2c1 12477116 UFPSLFRMJFJQLX-OAHLLOKOSA-N 338.476 4.311 5 3 EIBF CN(C[C@@H](O)c1ccccc1)c1cc(=O)c2ccc3ccccc3c2o1 13676939 NWEHSLMNLGXUJR-HXUWFJFHSA-N 345.398 4.116 5 1 EIBF O=C(O)Cc1c(-c2ccc(Cl)cc2)[nH]c2cccc([N+](=O)[O-])c12 587645150 XNQQUWONWVODFB-UHFFFAOYSA-N 330.727 4.024 5 1 EIBF O=c1oc(OCC2CCCCC2)c(Cl)c2ccc([N+](=O)[O-])cc12 40957161 XOKCRTWLUAYWIT-UHFFFAOYSA-N 337.759 4.314 5 1 EIBF C[N+](C)(C)C[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1COC(=O)Nc1ccc(Cl)cc1 169336782 WDRQUQMYUBFLEZ-DFEHZGFQSA-O 349.882 4.033 5 1 EIBF O=[N+]([O-])c1cc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2cc1F 587085948 PMWUFJGOZVDESL-UHFFFAOYSA-N 342.717 4.479 5 1 EIBF O=[N+]([O-])c1ccc(C2=NO[C@H](c3ccc(-c4ccccn4)cc3)C2)o1 1772645116 QKJMVPMFZXFJCG-KRWDZBQOSA-N 335.319 4.116 5 1 EIBF O=C(O)CCCC/C=C(\c1cccnc1)c1cccc([N+](=O)[O-])c1 26740001 RIRQCORMOFHCGX-MFOYZWKCSA-N 326.352 4.067 5 1 EIBF O=C1CCC[C@@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)CC1 586885883 OCZNUWYUEARLLL-GFCCVEGCSA-N 330.391 4.276 5 1 EIBF CC1(C)CCC(Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)CC1 587960915 NSZXRQKRGZJYAO-UHFFFAOYSA-N 332.360 4.138 5 1 EIBF C[C@H]1CCc2sc(-c3nc4cc(F)c([N+](=O)[O-])cc4[nH]3)cc2C1 587034275 RLJMCKLCWNWNEK-QMMMGPOBSA-N 331.372 4.464 5 1 EIBF CCCc1c(O)ccc2c1O[C@@H](c1ccc([N+](=O)[O-])c(F)c1)CC2=O 587466992 OYYANLDVEIYYBE-QGZVFWFLSA-N 345.326 4.099 5 1 EIBF CC[C@H](C)NC(=O)c1cc2ccccc2c(-c2ccc([N+](=O)[O-])cc2)n1 28343572 QGARIXNQARPPSF-ZDUSSCGKSA-N 349.390 4.338 5 1 EIBF Nc1nc(-c2ccc([N+](=O)[O-])cc2)cc(-c2cccc3ccccc23)n1 28707225 ZHJGZQSPESFFBT-UHFFFAOYSA-N 342.358 4.454 5 1 EIBF CC[C@@H]1OCCC[C@@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1 586908761 DAPINWASFPRMFV-BUXKBTBVSA-N 332.407 4.332 5 1 EIBF COc1cccc([C@H](C)Cc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c1 587929900 DJILQNICOYCYNC-LLVKDONJSA-N 325.368 4.134 5 1 EIBF O=[N+]([O-])c1ccc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2c1 587175642 WQLRAHXHDFAOOE-UHFFFAOYSA-N 330.706 4.412 5 1 EIBF C[C@@H](C(=O)O)c1c(-c2ccccc2F)[nH]c2cccc([N+](=O)[O-])c12 587646008 QDKWWIWYFJPISL-SECBINFHSA-N 328.299 4.070 5 1 EIBF O=C(Oc1cncc(Cl)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 28975870 OGRUFOQJVSKQTN-UHFFFAOYSA-N 344.710 4.122 5 1 EIBF O=C(O)c1cc2c(Nc3ccc(Cl)cc3)ccc([N+](=O)[O-])c2[nH]1 103244233 OIJPNQHDAFDZHL-UHFFFAOYSA-N 331.715 4.171 5 1 EIBF COc1cccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(F)F)c1 587646328 OCFWQVYRNZIWPF-UHFFFAOYSA-N 346.289 4.200 5 1 EIBF C[N+](C)(C)CC[C@@]1(c2ccc(Cl)cc2)Cc2ccccc2C(=O)O1 53243980 IDHQFPCLXFFXFJ-FQEVSTJZSA-N 344.862 4.045 5 1 EIBF Cn1c2ccccc2c2c(NCCCO)c3cc(Cl)ccc3nc21 84689440 LFDIAOWFCUTZJZ-UHFFFAOYSA-N 339.826 4.327 5 1 EIBF O=[N+]([O-])c1ccc(OCc2nc3cc4ccccc4cc3[nH]2)cc1F 587149455 SQSYNXVJXHLDIH-UHFFFAOYSA-N 337.310 4.342 5 1 EIBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4ncccc4[nH]3)cc2)cc1 587272359 RANBZFZAIRRTNC-UHFFFAOYSA-N 332.319 4.325 5 1 EIBF Cc1cc(C)n(-c2c(-c3cccc(N)c3)[nH]c3cc([N+](=O)[O-])ccc23)n1 587647660 LLNSVVULCRJVGA-UHFFFAOYSA-N 347.378 4.128 5 1 EIBF Cc1[nH]c2ccccc2c(=O)c1Cc1c(C)[nH]c2cccc([N+](=O)[O-])c12 587649054 OQISBUBFXBWDPS-UHFFFAOYSA-N 347.374 4.125 5 1 EIBF Cc1cc(N(C)Cc2nc3ccc(Cl)cc3[nH]2)c([N+](=O)[O-])cc1F 587137025 OZCBOCSPNFWSCJ-UHFFFAOYSA-N 348.765 4.208 5 1 EIBF O=[N+]([O-])c1ccc(Cc2nc3cc4ccccc4cc3[nH]2)c([N+](=O)[O-])c1 587264900 PUMGRWWNHWVUNI-UHFFFAOYSA-N 348.318 4.123 5 1 EIBF CCCc1c(O)ccc2c1O[C@H](c1c(F)cccc1[N+](=O)[O-])CC2=O 587464984 DJKYIEMJNCBTBA-INIZCTEOSA-N 345.326 4.099 5 1 EIBF O=[N+]([O-])c1ccc2c(c1)CC[C@@H](NCCCCc1ccccc1)CC2 653779493 AXPJTEPRVLKIKC-FQEVSTJZSA-N 338.451 4.455 5 1 EIBF CN1C[C@](O)(c2ccc3c(ccc4ccccc43)c2)O[C@@H]2CCCC[C@H]21 473118781 LMKBZJWIOPGNSG-DNVJHFABSA-N 347.458 4.411 5 1 EIBF O=[N+]([O-])c1cc2[nH]c(-c3ccc(OC(F)F)cc3)nc2cc1Cl 587131020 VOYPFCCPDQDPSB-UHFFFAOYSA-N 339.685 4.393 5 1 EIBF CCCCc1nc2ccccc2n1Cc1cc(C)c(O)c([N+](=O)[O-])c1 26261793 QCDDXURYXAGYGT-UHFFFAOYSA-N 339.395 4.349 5 1 EIBF CN1CCCN(c2nc3ccccc3c3[nH]c4ccccc4c23)CC1 169309442 SGLNANGHWZNPDM-UHFFFAOYSA-N 330.435 4.011 5 1 EIBF C[N+]12CCC(OC(=O)Nc3ccsc3-c3ccccc3)(CC1)CC2 169331622 WULDTQUTKIYUIV-UHFFFAOYSA-O 343.472 4.347 5 1 EIBF O=C(Nc1nccs1)[C@H](CC1CCCC1)c1ccc([N+](=O)[O-])cc1 49070977 SPHMVBLDKHUISJ-OAHLLOKOSA-N 345.424 4.354 5 1 EIBF O=[N+]([O-])c1cc2nc(C[C@H]3OCCc4ccsc43)[nH]c2cc1Cl 587036713 KKJIVGDLOOCDHN-CYBMUJFWSA-N 349.799 4.043 5 1 EIBF Cc1cc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2cc1Cl 587158427 DZQNBOKTKHMGSB-UHFFFAOYSA-N 335.722 4.151 5 1 EIBF CCCc1c(O)ccc2c1O[C@](C)(c1cccc([N+](=O)[O-])c1)CC2=O 587473137 QFKRNKBKLRUYGK-IBGZPJMESA-N 341.363 4.134 5 1 EIBF O=c1c(Br)c(-c2cccc([N+](=O)[O-])c2)oc2ccccc12 26145441 KTDFHLLJNVYRHL-UHFFFAOYSA-N 346.136 4.131 5 1 EIBF Fc1ccc(OCc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 587168824 NRILUZTXQCJMCV-UHFFFAOYSA-N 344.349 4.377 5 1 EIBF CC[N+](CC)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1 33641127 ZMCUJOGARKOVLZ-UHFFFAOYSA-N 340.487 4.238 5 1 EIBF CN(C)CCCNc1nc2ccccc2c2c1c1ccccc1n2C 169309474 ZJZLDEYMIZHPNQ-UHFFFAOYSA-N 332.451 4.243 5 1 EIBF CCc1c([C@@H](C)NC(=O)OC(C)(C)C)[nH]c2cc([N+](=O)[O-])ccc12 587646536 FPXOJQMZNGWOOZ-SNVBAGLBSA-N 333.388 4.224 5 1 EIBF O=[N+]([O-])c1ccc(Cl)cc1[C@@H]1SCc2nc3ccccc3n21 5545936 MVWZAKQZPDBCEA-HNNXBMFYSA-N 331.784 4.392 5 1 EIBF O=[N+]([O-])c1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@H]3CC2)c2ccccc12 169718571 WYSOPFLHNMKWQL-RYUDHWBXSA-N 348.358 4.481 5 1 EIBF CC[C@H]1OCCC[C@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1 586908762 DAPINWASFPRMFV-CWTRNNRKSA-N 332.407 4.332 5 1 EIBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4ccnc(O)c4[nH]3)c2)cc1 587271475 CKTLYAMMUKNQNC-UHFFFAOYSA-N 348.318 4.031 5 1 EIBF Cn1c2ccccc2c2c(NCC(C)(C)CN)nc3ccccc3c21 169309472 OUUVYZHJKLZPDF-UHFFFAOYSA-N 332.451 4.277 5 1 EIBF Cc1cc2[nH]c(C3(c4ccccc4)CCC(=O)CC3)nc2cc1[N+](=O)[O-] 586877806 QGXGKINUZJWTSM-UHFFFAOYSA-N 349.390 4.209 5 1 EIBF C[C@@H]1CC=CC[C@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587966324 CULYLACXGOZHFV-PSASIEDQSA-N 336.189 4.303 5 1 EIBF CC[C@@]1(CC[C@H](C)[N+](=O)[O-])c2cc(OC)ccc2CCN1C(C)C 962086713 CSNGPNCEWIVBHJ-HNAYVOBHSA-N 334.460 4.012 5 1 EIBF CC(C)(C)c1ccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2c1 587148419 GTCZWGGRSUFHEP-UHFFFAOYSA-N 343.358 4.487 5 1 EIBF COc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 73240823 OZUGEHGDVKXQFQ-UHFFFAOYSA-N 326.359 4.335 5 1 EIBF COc1cc(Cl)ccc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587065990 CNDTYRDDTMOKDT-UHFFFAOYSA-N 338.150 4.454 5 1 EIBF O=[N+]([O-])c1cnc2nc(-c3sccc3-c3ccc(F)cc3)[nH]c2c1 587165351 RSWWPSOYVYQWDP-UHFFFAOYSA-N 340.339 4.401 5 1 EIBF C[C@]1(c2ccccc2[N+](=O)[O-])NCCc2c(Cl)cc(Cl)cc21 963109033 ORSHQQATXQNSII-MRXNPFEDSA-N 337.206 4.311 5 1 EIBF O=[N+]([O-])c1ccc2c(c1)nc1n2[C@@H](c2c(F)cccc2F)SC1 5580471 XFSVWDXHQYTGIA-OAHLLOKOSA-N 333.319 4.016 5 1 EIBF O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccc(Cl)cc1Cl 45353692 CWCZXUGASXHLMK-UHFFFAOYSA-N 342.138 4.251 5 1 EIBF O[C@H](c1nc2c3ccccc3c3ccccc3c2[nH]1)C1CCOCC1 586916116 KMWRJZMEELNHTP-FQEVSTJZSA-N 332.403 4.329 5 1 EIBF CNc1cccc(-c2cccc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)c2)c1 587233612 UJOZWHFSODKJOO-UHFFFAOYSA-N 345.362 4.242 5 1 EIBF O=c1cc(C[C@@H]2NCCc3ccccc32)c2ccc3ccccc3c2o1 64552873 SLSOWZHTNYTZBQ-NRFANRHFSA-N 341.410 4.376 5 1 EIBF c1ccc2c(c1)nc(CCN1CCCCC1)n1c3ccccc3nc21 31848107 LZXQJYFWTDKEHR-UHFFFAOYSA-N 330.435 4.064 5 1 EIBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)Nc1cccc(Cl)c1 587645215 ZROLNGJYJMFJNH-UHFFFAOYSA-N 329.743 4.290 5 1 EIBF CCOC(=O)[C@@H](CCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 71317833 XGHJUWNGXMYTGQ-SFHVURJKSA-N 327.380 4.264 5 1 EIBF COc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(F)F)cc1 587646378 QRMKWPNLDUSPTN-UHFFFAOYSA-N 346.289 4.200 5 1 EIBF COc1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)c([N+](=O)[O-])c1 49072033 GHYYUUFQHMDLOK-UHFFFAOYSA-N 337.257 4.166 5 1 EIBF O=C(O)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)c1ncncc12 84564518 ALAIPVZHEGKVLY-UHFFFAOYSA-N 335.750 4.197 5 1 EIBF O=C1C[C@H](c2c(F)cccc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587501190 AOBXVRBPAFFVSK-QGZVFWFLSA-N 341.338 4.319 5 1 EIBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc(F)cc2[nH]1 587109370 IETOTCWNHYMGGT-UHFFFAOYSA-N 339.248 4.220 5 1 EIBF CCN(CC)CCOc1ccc2[nH]c3ccc(Cl)cc3c(=O)c2c1 1857550765 GCANQCROXHVTQJ-UHFFFAOYSA-N 344.842 4.055 5 1 EIBF CN(C)c1ccc2c(-c3cccs3)c3ccc(=[N+](C)C)cc-3oc2c1 40393375 YYTOSYZNSWRWFX-UHFFFAOYSA-N 349.479 4.364 5 1 EIBF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H]([N+](=O)[O-])CCC3 587103825 BFKDOXIEMSBTKC-MRXNPFEDSA-N 330.343 4.100 5 1 EIBF CCOc1ccccc1OCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587780426 UAIGMLPBGGQKGA-UHFFFAOYSA-N 347.758 4.102 5 1 EIBF CN(C)CCNC(=O)c1cc2c3ccccc3sc2c2ccccc12 1857595795 WCDIORQNFWIEGB-UHFFFAOYSA-N 348.471 4.499 5 1 EIBF O=[N+]([O-])c1cc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2cc1F 587150787 FFVITNQULOFVTG-RKDXNWHRSA-N 333.269 4.160 5 1 EIBF O=[N+]([O-])c1cccc(Nc2nc(-c3ccccn3)nc3ccccc23)c1 1772617617 DSKAOEDWCCHUEB-UHFFFAOYSA-N 343.346 4.344 5 1 EIBF O=[N+]([O-])c1cc(/C=C\c2nc3ccc(Cl)nc3[nH]2)ccc1Cl 587047565 KZBLKOLVBNCSEL-KXFIGUGUSA-N 335.150 4.343 5 1 EIBF c1cnc2c(c1)c1nc(-c3occ4c3CCC4)[nH]c1c1cccnc12 586905246 ICIGKMBWNADNKU-UHFFFAOYSA-N 326.359 4.408 5 1 EIBF O=[N+]([O-])c1cnc2[nH]c(-c3cccc(-c4ccccc4F)c3)nc2c1 587152918 HVKHMVMBAAZUMA-UHFFFAOYSA-N 334.310 4.339 5 1 EIBF C[C@H](Oc1ccc(F)cc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587168261 DMPJLOCYZBQIJA-QMMMGPOBSA-N 335.722 4.404 5 1 EIBF Nc1ccc(-c2nc(-c3ccc(F)c(F)c3)cs2)cc1[N+](=O)[O-] 587922387 NSLNPLJJCYNJAZ-UHFFFAOYSA-N 333.319 4.246 5 1 EIBF O=c1c2ccccc2oc2c1c(O)cc1oc(-c3ccccc3)nc12 1857751708 GCOZSHPDIBQMEM-UHFFFAOYSA-N 329.311 4.460 5 1 EIBF CCn1ncc2c1n/c(=N\c1ccccc1)n1ccc3ccccc3c21 28099219 SESQCGYGAGCXIO-XTQSDGFTSA-N 339.402 4.090 5 1 EIBF CCOC(=O)[C@H](CCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 71317834 XGHJUWNGXMYTGQ-GOSISDBHSA-N 327.380 4.264 5 1 EIBF C[N+](C)(C)C[C@H]1[C@@H](COC(=O)Nc2ccc(Cl)cc2)[C@H]2C=C[C@H]1C2 169336781 WDRQUQMYUBFLEZ-ZZCKCESHSA-O 349.882 4.033 5 1 EIBF CNC(=O)OCc1nccc2c(C)c3[nH]c4ccc(OC)cc4c3cc12 12953241 QYAZLTPLJOAHOV-UHFFFAOYSA-N 349.390 4.042 5 1 EIBF Oc1cccc(CCc2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 586896438 QLKKHEUNWQRNMP-UHFFFAOYSA-N 340.386 4.150 5 1 EIBF Cn1c2ccccc2c(=O)c2ccc(NCCc3cccs3)cc21 61969076 UXZOFKZVAVKIHW-UHFFFAOYSA-N 334.444 4.408 5 3 EIBF CC[C@H](C)n1cc(Cl)c(-c2nc3cc(C)c([N+](=O)[O-])cc3[nH]2)n1 587078887 CNLJOFKREIYWKQ-VIFPVBQESA-N 333.779 4.267 5 1 EIBF COc1ccc(-c2cccc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)c2)cc1 587936250 VEURLYFRCDKYJS-UHFFFAOYSA-N 346.346 4.209 5 1 EIBF O=[N+]([O-])c1ccc(-c2ncncc2-c2ccc(C(F)(F)F)cc2)o1 1772620754 XXYIVFKJTPVXNT-UHFFFAOYSA-N 335.241 4.331 5 1 EIBF O=[N+]([O-])c1ccc2nc3c(nc2c1)-c1cccc2c([N+](=O)[O-])ccc-3c12 29059254 VLKXFRYSMZJSAD-UHFFFAOYSA-N 344.286 4.247 5 1 EIBF O=[N+]([O-])c1ccc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2c1 587232339 PVQWNWLLNDJFJS-UHFFFAOYSA-N 348.362 4.021 5 1 EIBF COc1cc(-c2nc3ccc(Cl)c(C)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587260821 HCLJSBCSUHQERV-UHFFFAOYSA-N 347.758 4.117 5 1 EIBF Oc1nc(O)c2ccc(-c3c4ccccc4cc4ccccc34)nc2n1 587562166 QLOJEHTUIFAWRU-UHFFFAOYSA-N 339.354 4.409 5 1 EIBF O=C1c2cc3ccccc3cc2-n2c1nc1cc3ccccc3cc1c2=O 84727679 BQKIJUWHHNMHKU-UHFFFAOYSA-N 348.361 4.237 5 1 EIBF O=[N+]([O-])c1cc(Br)cc2nc(C3(F)CCCCC3)[nH]c12 587131663 RBSJWUDKPNOXFK-UHFFFAOYSA-N 342.168 4.363 5 1 EIBF Cc1cc2oc3ccc(NCCCn4ccnc4)cc3c(=O)c2cc1C 12477126 XKPCVIBYVCCYDX-UHFFFAOYSA-N 347.418 4.262 5 3 EIBF O=c1cc(N2CCOc3ccccc32)oc2c1ccc1ccccc12 13608075 DWOLFGTUHKTKHO-UHFFFAOYSA-N 329.355 4.477 5 1 EIBF O=[N+]([O-])c1ccc(C2=NO[C@H]3CCCCC[C@@H]23)cc1C(F)(F)F 95574918 KUSUWQRZGSYMFE-MFKMUULPSA-N 328.290 4.297 5 1 EIBF COc1ccc2oc3c(OC)c4c(cc3c(=O)c2c1)OC(C)(C)C=C4 96928331 SZCKEMOXYIXMNL-UHFFFAOYSA-N 338.359 4.148 5 1 EIBF CN1CCCN(c2nc3ccccc3c3c2c2ccccc2n3C)CC1 169309478 NTJXVBOJZBJZQV-UHFFFAOYSA-N 344.462 4.022 5 1 EIBF COC(=O)c1c(-c2ccccc2Cl)[nH]c2cc([N+](=O)[O-])ccc12 587644969 SJICVGUKKRQUCJ-UHFFFAOYSA-N 330.727 4.183 5 1 EIBF COc1ccc(CCc2cccc3c(=O)c4ccccc4[nH]c23)cc1O 95595619 DFSYSXZNFNWXSD-UHFFFAOYSA-N 345.398 4.181 5 1 EIBF CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2cc(F)ccc12 587635673 KXQYLHJNQQUPIL-UHFFFAOYSA-N 328.299 4.059 5 1 EIBF Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cccc([N+](=O)[O-])c23)o1 587644832 CSQKFHCIHJEFNU-UHFFFAOYSA-N 338.241 4.227 5 1 EIBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(Cl)c(F)cc3[nH]2)c1 587262656 VVAZMLNFNZSSKZ-UHFFFAOYSA-N 349.749 4.194 5 1 EIBF CC(C)C(CO)(CO)NCc1ccc2ccc3cccc4ccc1c2c34 26466384 SUMKIGSVBGQGLW-UHFFFAOYSA-N 347.458 4.053 5 1 EIBF Cn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)NC3 10787 YLDKSXXXIVZVJZ-UHFFFAOYSA-N 325.371 4.209 5 1 EIBF CC[C@@]1(C)C=Cc2c(cc(OC)c3c(=O)c4ccccc4n(C)c23)O1 5549386 PKUQXCJIJWWZFK-NRFANRHFSA-N 335.403 4.275 5 1 EIBF CCCCn1c2nc(-c3ccccc3)nc(=O)c-2cc2ccccc21 40895072 SLHAWWDAJKTLSZ-UHFFFAOYSA-N 329.403 4.363 5 1 EIBF O=C(c1ccccc1)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587644760 BPOSXUJEWJDRMB-UHFFFAOYSA-N 334.253 4.326 5 1 EIBF O=[N+]([O-])c1ccc2nc([C@@H]3NCCc4cc(Cl)ccc43)ccc2c1 963390811 MXTYNJUBNGRIDU-GOSISDBHSA-N 339.782 4.032 5 1 EIBF O=[N+]([O-])c1cccc([C@H](OCCCc2cnc[nH]2)c2ccccc2)c1 1857628683 CRTYYKOCTYXVIC-LJQANCHMSA-N 337.379 4.057 5 1 EIBF Nc1ccc2oc(-c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)cc2c1 587251979 PREQAPIDSBCKCY-UHFFFAOYSA-N 328.715 4.120 5 1 EIBF O=C(O)CCc1c(-c2cc(F)cc(F)c2)[nH]c2cc([N+](=O)[O-])ccc12 587646293 ZIVULCHKONGWGK-UHFFFAOYSA-N 346.289 4.039 5 1 EIBF COc1ccc2c3c(c4cc(OC)c(O)cc4c2c1)CN1CCC[C@H]1C3 14824800 DACRWRGHESRUQW-ZDUSSCGKSA-N 349.430 4.236 5 1 EIBF biogenic O=[N+]([O-])c1ccc(NC(=S)OCCc2ccccc2Cl)cc1 40975295 JNBUHWYEGMNSHO-UHFFFAOYSA-N 336.800 4.204 5 1 EIBF O=[N+]([O-])c1cncc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c12 587955850 RHFJPHQZOAVSRE-INIZCTEOSA-N 344.374 4.241 5 1 EIBF Cc1ccc(OCCOc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])n1 73222293 YWFNLCWUEWCPOQ-UHFFFAOYSA-N 343.166 4.063 5 1 EIBF C[N+](C)(C)NCCN1c2ccccc2Sc2ccc(Cl)cc21 28246302 ZVYLQFNJTFRZHF-UHFFFAOYSA-N 334.896 4.154 5 1 EIBF CCSC[C@@](C)(O)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 28820508 OBFCFCYHBKFERX-CYBMUJFWSA-N 348.346 4.056 5 1 EIBF Clc1cccnc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587065474 QKJMDKCQOFGTOV-UHFFFAOYSA-N 331.766 4.375 5 1 EIBF Cc1cc(C)cc(Sc2c([N+](=O)[O-])c(=O)[nH]c3ccccc23)c1 5892128 CQEBYYQVFPXTQH-UHFFFAOYSA-N 326.377 4.204 5 1 EIBF Cc1nc(-c2c[nH]cc2-c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cs1 587020510 CBWJRXWFDCWCGW-UHFFFAOYSA-N 339.380 4.207 5 1 EIBF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587929858 NEIYDFNGLPCHAZ-ZMZPIMSZSA-N 341.342 4.064 5 1 EIBF O=[N+]([O-])c1cc(Br)cc2nc(-c3ccoc3C3CC3)[nH]c12 586902427 ZKQHSNHKAMZPAZ-UHFFFAOYSA-N 348.156 4.371 5 1 EIBF Cc1cc2[nH]c(-c3cc([N+](=O)[O-])c(C)o3)nc2cc1Br 587268552 DDMVAKGFLNNJEB-UHFFFAOYSA-N 336.145 4.110 5 1 EIBF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 587931731 MNWJDUXFCBIRED-YJYMSZOUSA-N 337.379 4.233 5 1 EIBF C[N+]1(C)CCC(OC(=O)C2(c3ccccc3)CCCCCC2)CC1 43195396 YLLMZSCQYQANKC-UHFFFAOYSA-N 330.492 4.061 5 1 EIBF Cc1cc2[nH]c(COC34CC5CC(CC(C5)C3)C4)nc2cc1[N+](=O)[O-] 587951738 ZDVTVHKZTJMETM-UHFFFAOYSA-N 341.411 4.265 5 1 EIBF Cc1ccccc1-c1ccc(Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 587959557 PECHVTJTCJAIKA-UHFFFAOYSA-N 344.374 4.432 5 1 EIBF O=[N+]([O-])c1ccc(OCCNc2ccnc3cc(Cl)ccc23)cc1 29212843 OGZNXBJQNKJSML-UHFFFAOYSA-N 343.770 4.287 5 1 EIBF COc1c(OC)c(OC)c2c(ccc3ccccc32)c1CCN(C)C 1604277 CCVOLLCITTYDJG-UHFFFAOYSA-N 339.435 4.123 5 1 EIBF biogenic O=[N+]([O-])c1cncc2nc(-c3cccc(-c4ccccc4F)c3)[nH]c12 587153610 VCKOGPSDQMEBCF-UHFFFAOYSA-N 334.310 4.339 5 1 EIBF CCSC[C@](C)(O)c1cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2[nH]1 28820643 MRSPRXVCAWDRFJ-ZDUSSCGKSA-N 348.346 4.056 5 1 EIBF Cc1cc(N(C)Cc2nc3c(C)ccc(C)c3[nH]2)c([N+](=O)[O-])cc1F 587136027 ABALNSVKWDSBKE-UHFFFAOYSA-N 342.374 4.172 5 1 EIBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(F)cc1[N+](=O)[O-])CC2=O 587467313 QQCXINLGVWFQLG-QGZVFWFLSA-N 345.326 4.099 5 1 EIBF Oc1nc(O)c2ccc(-c3ccc4ccc5ccccc5c4c3)nc2n1 587562414 ZODWIKVORHFTKZ-UHFFFAOYSA-N 339.354 4.409 5 1 EIBF CN1CCC[C@H]1CCNc1ccc2sc3ccccc3c(=O)c2c1 12477121 UFPSLFRMJFJQLX-HNNXBMFYSA-N 338.476 4.311 5 3 EIBF Cc1noc(C)c1-c1ccc2c(c1)ncn2Cc1ccccc1[N+](=O)[O-] 169322613 XZCRRWCQWMSWPO-UHFFFAOYSA-N 348.362 4.265 5 1 EIBF CCCOc1cccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c1 587279041 DUPJOWYQFQXYQH-UHFFFAOYSA-N 325.320 4.361 5 1 EIBF COc1cc2c(ccc3c4cc(OC)c(OC)cc4cnc23)cc1O 5733046 FQLWLTBQJXDYHM-UHFFFAOYSA-N 335.359 4.273 5 1 EIBF CC1(C)CCc2cc3c(=O)c4cc(Cl)ccc4oc3c(O)c2O1 96927745 DDUWZQMDYIOMAA-UHFFFAOYSA-N 330.767 4.409 5 1 EIBF CC[C@@]1(Cc2nc3cccc([N+](=O)[O-])c3[nH]2)CC(=O)c2ccccc2C1 587961690 STXABYJQAPGZAO-FQEVSTJZSA-N 349.390 4.239 5 1 EIBF O=[N+]([O-])c1cccc(-c2ccc([C@H]3NCCc4ccc(O)cc43)cc2)c1 963341108 KJZJMOHEIWLXFT-OAQYLSRUSA-N 346.386 4.203 5 1 EIBF COc1cccc(-c2c3cc(N)ccc3c3ccc(=N)cc-3n2C)c1 377386493 IGYURVHKDVOINN-UHFFFAOYSA-N 329.403 4.020 5 1 EIBF CCOC(=O)c1c(-c2cccc(F)c2)[nH]c2cccc([N+](=O)[O-])c12 587645786 KCONKRBGALSAAP-UHFFFAOYSA-N 328.299 4.059 5 1 EIBF O=[N+]([O-])c1ccc(C2=NO[C@@H]3CCCCC[C@H]23)cc1C(F)(F)F 95574917 KUSUWQRZGSYMFE-GXFFZTMASA-N 328.290 4.297 5 1 EIBF CCOc1ccc(CC(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1 587279721 PLTBMGPGFZOTSE-UHFFFAOYSA-N 325.320 4.165 5 1 EIBF CCCc1c(O)ccc2c1O[C@@H](c1cc(F)ccc1[N+](=O)[O-])CC2=O 587466682 MBRNTVSVZPOIGP-QGZVFWFLSA-N 345.326 4.099 5 1 EIBF COc1ccc2[nH]c3c(C)c4ccnc(COC(C)=O)c4cc3c2c1 27549304 RKFJAZDWMUFMEF-UHFFFAOYSA-N 334.375 4.249 5 1 EIBF COc1cc2c3c(c4ccc(O)cc4c2cc1OC)C[C@H]1CCCN1C3 72124337 DSYIHAGYTDJTNX-CYBMUJFWSA-N 349.430 4.236 5 1 EIBF O=[N+]([O-])c1cc2nc([C@@H]3SCCc4sccc43)[nH]c2cc1F 587037712 XKISQNMMZJUYPO-CYBMUJFWSA-N 335.385 4.050 5 1 EIBF COc1ccc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c(OC)c1C 587786223 FHBHRBWDKRPVQO-UHFFFAOYSA-N 347.758 4.117 5 1 EIBF Cc1c(Cl)ccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c12 587159795 ZATHIQWUEMYGHH-UHFFFAOYSA-N 335.722 4.151 5 1 EIBF CCc1cc(OCc2nc3ccc([N+](=O)[O-])cc3[nH]2)ccc1Cl 587052788 MRYFRIJWARSWBG-UHFFFAOYSA-N 331.759 4.266 5 1 EIBF Cc1noc(-c2ccccc2[N+](=O)[O-])c1-c1ccccc1[N+](=O)[O-] 206038529 XUODRKACDQTKOD-UHFFFAOYSA-N 325.280 4.133 5 3 EIBF COc1c(C)c(C)c([N+](=O)[O-])c(Cl)c1C/C=C(\C)CCC(=O)O 13759765 BVTDVNBVQVSGLW-WEVVVXLNSA-N 341.791 4.227 5 1 EIBF Cc1ccc2c3c(c4c(nc13)CC[C@H]4C[N+](=O)[O-])-c1ccccc1C2=O 587096479 BVKPCEVRMIPGLV-LBPRGKRZSA-N 344.370 4.061 5 1 EIBF COc1cccc([C@H](C)Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1 587930083 GQRJNZVWCDZUMH-SNVBAGLBSA-N 345.786 4.479 5 1 EIBF O=[N+]([O-])c1cc2nc(-c3ccc4c(c3O)CCCC4)[nH]c2cc1Cl 586897745 IRINTDLMDCSYDF-UHFFFAOYSA-N 343.770 4.376 5 1 EIBF Oc1nc(O)c2ccc(-c3ccc4cc5ccccc5cc4c3)nc2n1 587562163 QESLANHXUQMXEL-UHFFFAOYSA-N 339.354 4.409 5 1 EIBF O=[N+]([O-])c1ccc(C2=NO[C@@H](c3ccc(-c4ccccn4)cc3)C2)o1 1772645117 QKJMVPMFZXFJCG-QGZVFWFLSA-N 335.319 4.116 5 1 EIBF COc1ccc2c3c(c4cc5c(cc4c2c1)OCO5)C[C@@H]1CCCN1C3 15216024 SQVBRXGPXHOUAI-ZDUSSCGKSA-N 347.414 4.251 5 1 EIBF biogenic COc1ccc2nc(-c3nc4cc(C)c([N+](=O)[O-])cc4[nH]3)sc2c1 587035877 VKWMYBOOEAJOCS-UHFFFAOYSA-N 340.364 4.065 5 1 EIBF O=[N+]([O-])c1cncc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c12 587056073 YONAFBPANICQLG-SNAWJCMRSA-N 335.150 4.343 5 1 EIBF O=[N+]([O-])c1ccc([C@@H](c2c[nH]cc2-c2ccccc2)n2ccnc2)cc1 5974748 ZZLWYSBRYWHHQI-FQEVSTJZSA-N 344.374 4.424 5 1 EIBF O=[N+]([O-])c1cccc(COc2ccccc2-c2nc3cccnc3o2)c1 1772590360 FHLQVZVPZFEKDX-UHFFFAOYSA-N 347.330 4.377 5 1 EIBF Cc1ccc(CSCCc2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 586970141 AOAAYSBRGPKUJY-UHFFFAOYSA-N 327.409 4.255 5 1 EIBF O=[N+]([O-])c1cc(F)cc(-c2nc3cccc(C(F)(F)F)c3[nH]2)c1 587160115 HUPQHVQZZUVRGA-UHFFFAOYSA-N 325.221 4.296 5 1 EIBF Cc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2Cn2ccnc2)cc1 587647972 WMYFNFNFZBDMPX-UHFFFAOYSA-N 332.363 4.296 5 1 EIBF C[C@@]1(c2cc(F)ccc2[N+](=O)[O-])c2c(F)cccc2C[C@H]2CCCN21 963109875 QFNFENCMNDRIRT-AUUYWEPGSA-N 344.361 4.157 5 1 EIBF C[C@H](c1nc2cc([N+](=O)[O-])cnc2[nH]1)c1ccccc1C(F)(F)F 587097039 GUQHPQYFOAXUKE-QMMMGPOBSA-N 336.273 4.037 5 1 EIBF COc1ccc(CCC(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1 587279893 SPVZKAHWGZMGSP-UHFFFAOYSA-N 325.320 4.165 5 1 EIBF COc1ccc(C(=O)c2c(C(F)F)[nH]c3cccc([N+](=O)[O-])c23)cc1 587645645 AQLPOLSSHFNRBV-UHFFFAOYSA-N 346.289 4.253 5 1 EIBF O=C(O)CCCc1c(-c2ccc(F)cc2)[nH]c2cccc([N+](=O)[O-])c12 587645714 IMVXESHWCLUDGG-UHFFFAOYSA-N 342.326 4.290 5 1 EIBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cccc(Cl)c3[nH]2)c1 587268649 AMZDUGIAQYMSQE-UHFFFAOYSA-N 342.786 4.392 5 1 EIBF COc1ccccc1-c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)C(F)F 587646384 RABDMHROTGNGLT-UHFFFAOYSA-N 346.289 4.200 5 1 EIBF O=C(c1coc2cc([N+](=O)[O-])ccc12)C1(c2ccc(F)cc2)CC1 587280106 JFPQUSKYMNXXFT-UHFFFAOYSA-N 325.295 4.395 5 1 EIBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3ccc(F)c(F)c3[nH]2)c1F 587140320 YWEPFZKFSHWRNL-UHFFFAOYSA-N 327.649 4.209 5 1 EIBF CC(C)c1cc(C(=O)Nc2ncc([N+](=O)[O-])s2)c(O)c(C(C)C)c1 95558621 REJGKUBUPILWBD-UHFFFAOYSA-N 349.412 4.256 5 1 EIBF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1[N+](=O)[O-] 587507925 DHMQQWVUPBLXMA-IBGZPJMESA-N 337.375 4.489 5 1 EIBF CC[C@@]1(CC[C@H](C)[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 587511294 ORJNLOYTNXEWTP-ORAYPTAESA-N 331.412 4.125 5 1 EIBF COc1ccccc1-c1ccc(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)cc1 587931648 LQDVYCAQAGLRLC-UHFFFAOYSA-N 346.346 4.209 5 1 EIBF O=[N+]([O-])c1ccc(OCC2CCN(Cc3ccc(F)cc3)CC2)cc1 13605798 HTYUTOAGQKZAEN-UHFFFAOYSA-N 344.386 4.025 5 1 EIBF O=[N+]([O-])c1cc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2cc1F 587131799 UGXPABXTBOHOHQ-UHFFFAOYSA-N 347.296 4.492 5 1 EIBF C[C@]1(c2ccccc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 587509647 IEXAKBJXCHZESF-HXUWFJFHSA-N 337.375 4.354 5 1 EIBF CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)[nH]c2cccc(F)c12 587635072 CUVVENRDRWHPNG-UHFFFAOYSA-N 328.299 4.059 5 1 EIBF Nc1nc(-c2ccccc2)nc2nc3c(Cl)ccc(Cl)c3nc12 96915918 QERIWKSRALVWFJ-UHFFFAOYSA-N 342.189 4.129 5 1 EIBF O=[N+]([O-])c1ccc(-c2ncncc2-c2ccccc2C(F)(F)F)o1 1772655102 FYJZGTLRESNOMT-UHFFFAOYSA-N 335.241 4.331 5 1 EIBF O=[N+]([O-])c1ccc(COc2ccccc2CN2CCCCC2)cc1 8488 XGANIWMVQUZRIC-UHFFFAOYSA-N 326.396 4.160 5 3 EIBF Cc1c[nH]c(NCCCN(C)C)c2c3ccc4c(O)cccc4c3nc1-2 100791378 RNBSNBOWYSDWJD-UHFFFAOYSA-N 348.450 4.199 5 1 EIBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(Cl)ccc1[N+](=O)[O-])O2 587379161 SZDPXEQEXCQBOA-KRWDZBQOSA-N 346.770 4.019 5 1 EIBF COc1ccc2cc(/C=C/C(=O)O)c3cc(OC)c(OC)cc3c2c1 40973664 PSOBYIBDHSULJE-FNORWQNLSA-N 338.359 4.117 5 1 EIBF Cc1ncsc1CCc1nc2c3cccnc3c3ncccc3c2[nH]1 587028288 PINUWJJHTNQAQC-UHFFFAOYSA-N 345.431 4.209 5 1 EIBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3ncc(Cl)cc3[nH]2)o1 587264496 GRAKBBBCNPHCDL-UHFFFAOYSA-N 340.726 4.447 5 1 EIBF Cc1cc(C)n(-c2c(-c3cccc(N)c3)[nH]c3cccc([N+](=O)[O-])c23)n1 587647582 JIVHPRINSFEQIN-UHFFFAOYSA-N 347.378 4.128 5 1 EIBF COc1ccc([C@@H]2Oc3ccc(Cl)cc3C=C2[N+](=O)[O-])cc1OC 5957115 JVADFMNGKNKTEX-KRWDZBQOSA-N 347.754 4.109 5 1 EIBF C[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2[N+](=O)[O-] 118935168 SCLZOWKUTFYLGM-UXGBMSEJSA-N 335.488 4.425 5 1 EIBF Cc1c(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)oc2c1[C@H](O)CCC2 586905605 VLYBSOWIZMUNJG-GFCCVEGCSA-N 347.758 4.063 5 1 EIBF FC(F)(c1ccccn1)c1nc2c3cccnc3c3ncccc3c2[nH]1 587089601 FGNQUPCCJWWPRM-UHFFFAOYSA-N 347.328 4.194 5 1 EIBF O=C1c2c(ccc3ccccc23)-n2c1nc1cc3ccccc3cc1c2=O 84726304 DWCUNNUJRPOJMK-UHFFFAOYSA-N 348.361 4.237 5 1 EIBF Cc1ccc([C@H](C)[C@H](O)c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1 586893440 ZAZBVYSFEMXSPY-QFYYESIMSA-N 345.786 4.270 5 1 EIBF Cc1cc(C)c2[nH]c(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])nc2c1 587137430 ZSMDDZBTRYLHSA-UHFFFAOYSA-N 342.374 4.172 5 1 EIBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc([N+](=O)[O-])cc1Cl)O2 587377234 VKKFXWRLLPAHMJ-KRWDZBQOSA-N 346.770 4.019 5 1 EIBF C[C@@H](CN(C)C)Nc1c2nc3ccccc3c-2n(C)c2ccccc12 135708783 HMAZTPZEJXIJBZ-AWEZNQCLSA-N 332.451 4.193 5 1 EIBF CC[C@@H](Oc1ccccc1F)c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 587156715 YDDQLPMYPFRWEQ-OAHLLOKOSA-N 329.331 4.449 5 1 EIBF Cc1c(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cccc1[N+](=O)[O-] 587261210 YULAXKWKSYQLRE-UHFFFAOYSA-N 332.703 4.008 5 1 EIBF O=[N+]([O-])c1cc([C@H]2SCc3nc4ccccc4n32)ccc1Cl 5545935 MOUAFIJXFJXMHU-OAHLLOKOSA-N 331.784 4.392 5 1 EIBF COc1cccc(Nc2nc3cc(C(=O)O)ccc3c3cnccc23)c1 66101656 ORFKRAIKKNYTFV-UHFFFAOYSA-N 345.358 4.233 5 1 EIBF O=[N+]([O-])c1cccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c12 587021360 JCKNAHPQRJBDLD-UHFFFAOYSA-N 336.376 4.185 5 1 EIBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3ccc4ncccc4c3[nH]2)c1F 587139635 MUBOAURSIZLCMW-UHFFFAOYSA-N 342.717 4.479 5 1 EIBF O=[N+]([O-])c1ccc(C2=NO[C@@H](c3ccc(-c4cccnc4)cc3)C2)o1 1772632693 AHJPSFBFUZZXKF-QGZVFWFLSA-N 335.319 4.116 5 1 EIBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(Cl)cccc1[N+](=O)[O-])O2 587377581 XBEWVJBRZOWYEZ-QGZVFWFLSA-N 346.770 4.019 5 1 EIBF O=[N+]([O-])c1cc(Nc2ncnc3c2sc2ccccc23)ccc1O 95578866 IPZUOCXHZOQAET-UHFFFAOYSA-N 338.348 4.202 5 1 EIBF COc1ccc2c(c1)CCC=C2Cc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 587933925 AHLWDVAALIQEAB-UHFFFAOYSA-N 349.390 4.360 5 1 EIBF CC[C@@H]1CCc2c(c(=O)oc3c2cc(OC)c2cccc(OC)c23)C1 1635224 JMHCSLMTGSUWIO-GFCCVEGCSA-N 338.403 4.478 5 1 EIBF O=C(c1ccccc1Br)c1coc2cc([N+](=O)[O-])ccc12 587279913 UDJDCPYUOPLJDE-UHFFFAOYSA-N 346.136 4.335 5 1 EIBF CNCCc1c2ncsc2c2nccc3c4ccccc4[nH]c1c32 34294453 MARHCJRZNAJNBA-UHFFFAOYSA-N 332.432 4.241 5 1 EIBF biogenic CCO[C@H](C)c1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2N)cc1 587647980 WVHBGZKGOHKYGQ-LLVKDONJSA-N 325.368 4.423 5 1 EIBF Cc1c(Cl)ccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c12 587151128 QCICTISDQMJKIU-UHFFFAOYSA-N 335.722 4.151 5 1 EIBF O=[N+]([O-])c1ccc(C2=NO[C@H](c3ccc(N4CCCCC4)cc3)C2)o1 28961964 YSBMULXISDQRJU-KRWDZBQOSA-N 341.367 4.044 5 1 EIBF CN(C)CCCCCn1c2ccccc2c2nc3ccccc3nc21 1772639645 VDFRXFQJHNBSCO-UHFFFAOYSA-N 332.451 4.470 5 1 EIBF Cc1cccc2[nH]c(C(=O)O)c(Sc3ccc([N+](=O)[O-])cc3)c12 95585654 GYZVLCPXNZAYHH-UHFFFAOYSA-N 328.349 4.234 5 1 EIBF Cc1cc2[nH]c(CCCCc3cccc(O)c3)nc2cc1[N+](=O)[O-] 586896768 XQJBMLJLRVHYOY-UHFFFAOYSA-N 325.368 4.051 5 1 EIBF C[C@H]1N=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N=C1S 29125433 RAULBGNGEPBWOW-SECBINFHSA-N 345.811 4.448 5 1 EIBF O=C(c1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCc2ccccc2C1 1857630728 GIIJQDFIRNNRQG-UHFFFAOYSA-N 348.358 4.053 5 1 EIBF COc1ccc(-c2cccc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)c2)cc1 587936082 RIOGMXBNBYEPCM-UHFFFAOYSA-N 346.346 4.209 5 1 EIBF COc1cc2c3c(c4cccc(O)c4c2cc1OC)C[C@@H]1CCCN1C3 72142776 XEATVZZXKFURFH-ZDUSSCGKSA-N 349.430 4.236 5 1 EIBF Cc1c(-c2c[nH]c3ccc([N+](=O)[O-])cc23)[nH]c2cc([N+](=O)[O-])ccc12 587648004 XTONNHMONQLXBL-UHFFFAOYSA-N 336.307 4.441 5 1 EIBF Cc1cc(Cl)cc2c(-c3ccccc3[N+](=O)[O-])c(C(=O)O)[nH]c12 587626942 KVJNNURMDZVCMO-UHFFFAOYSA-N 330.727 4.403 5 1 EIBF C/C(=C/c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)C1CCCCC1 587966731 GFVSKIYVSZFIFH-YFHOEESVSA-N 330.344 4.363 5 1 EIBF O=c1cc(-c2cccc([N+](=O)[O-])c2)oc2cccc(Br)c12 29225464 AANJEGNNNSDLGW-UHFFFAOYSA-N 346.136 4.131 5 1 EIBF O=[N+]([O-])c1cccc(Nc2nc3ncccc3n2Cc2ccccc2)c1 84740308 PTIIMKUMGDPPRB-UHFFFAOYSA-N 345.362 4.131 5 1 EIBF O=[N+]([O-])c1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c1 587073719 LQYGQMCWIQAORR-UHFFFAOYSA-N 327.771 4.399 5 1 EIBF CCOC(=O)Nc1ccc2cc3ccc4c(c3nc2c1)COC(=O)N4 28017156 CYWUMTZUZOTGNM-UHFFFAOYSA-N 337.335 4.019 5 1 EIBF O=[N+]([O-])c1ccc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c2c1 587097524 KHXNWOXILXJHCF-UHFFFAOYSA-N 325.221 4.296 5 1 EIBF COc1c(F)cc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1F 587134784 MXHWVCXTVGMAMO-UHFFFAOYSA-N 339.685 4.078 5 1 EIBF CCCc1c(O)ccc2c1O[C@H](c1ccc([N+](=O)[O-])cc1C)CC2=O 587473398 TWTKSXZTODZSOY-SFHVURJKSA-N 341.363 4.268 5 1 EIBF Cc1onc(-c2ccccc2[N+](=O)[O-])c1-c1ccccc1[N+](=O)[O-] 206038605 MWQHOLBMEUNORC-UHFFFAOYSA-N 325.280 4.133 5 3 EIBF CCOCc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)o1 586903736 UBTKKQXJRLJUMK-UHFFFAOYSA-N 344.374 4.456 5 1 EIBF CN1C[C@](O)(c2ccc3c(ccc4ccccc43)c2)O[C@H]2CCCC[C@H]21 473118785 LMKBZJWIOPGNSG-XPWALMASSA-N 347.458 4.411 5 1 EIBF Cn1nc([N+](=O)[O-])cc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 587274744 LCQOFRRTYOSIRI-UHFFFAOYSA-N 343.346 4.178 5 1 EIBF CCCc1c(O)ccc2c1O[C@@H](c1cccc(C)c1[N+](=O)[O-])CC2=O 587473541 XGNIIDDYDDEMEJ-QGZVFWFLSA-N 341.363 4.268 5 1 EIBF O=[N+]([O-])c1cccc([C@@H](OCCCc2cnc[nH]2)c2ccccc2)c1 1857628682 CRTYYKOCTYXVIC-IBGZPJMESA-N 337.379 4.057 5 1 EIBF Cn1c2ccccc2c(=Nc2ccccc2)c2cc([N+](=O)[O-])ccc21 26935735 CNWOLTPGZURGQH-UHFFFAOYSA-N 329.359 4.472 5 1 EIBF COc1cc2c3ccc4c(c3cnc2c2cc3c(cc12)OCO3)OCO4 238738936 INYSJMFNPYAXRC-UHFFFAOYSA-N 347.326 4.007 5 1 EIBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(Cl)cc(C)c3[nH]2)c1 587261377 AFHARUIFLNQXRP-UHFFFAOYSA-N 345.786 4.363 5 1 EIBF COC(=O)c1ccccc1-c1c2ccc(N)cc2[o+]c2cc(N)ccc12 28877013 ZWODABSNRKVFCK-UHFFFAOYSA-N 345.378 4.485 5 1 EIBF in-vitro COc1cc2c3c(cc4cc(Cl)ccc4c3c1OC)N(C)C2=O 40401398 FRBSOUBKLUIMMD-UHFFFAOYSA-N 327.767 4.254 5 1 EIBF CCc1cc(OCc2nc3cccc([N+](=O)[O-])c3[nH]2)ccc1Cl 587052833 OZLLMQYWXAAVPX-UHFFFAOYSA-N 331.759 4.266 5 1 EIBF COc1cc(CC[N+](C)(C)[O-])c2ccc3ccccc3c2c1OC 13374019 HIGPYKBZLWYMDX-UHFFFAOYSA-N 325.408 4.127 5 1 EIBF CCc1nc2cccc3c2c(c1C[C@@H](C)[N+](=O)[O-])-c1ccccc1C3=O 587104813 JXXHDNJCPJCWDQ-GFCCVEGCSA-N 346.386 4.216 5 1 EIBF Cc1c(-c2nc3ccc(Br)cc3[nH]2)cccc1[N+](=O)[O-] 587260832 HYKPHVABRMKVFQ-UHFFFAOYSA-N 332.157 4.209 5 1 EIBF C[C@]1(c2cc(F)ccc2[N+](=O)[O-])c2c(F)cccc2C[C@@H]2CCCN21 963109889 QFNFENCMNDRIRT-LIRRHRJNSA-N 344.361 4.157 5 1 EIBF Cc1ccc(-c2nc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)cs2)o1 587016352 KOFKRMOWLNSFLZ-UHFFFAOYSA-N 326.337 4.163 5 1 EIBF O=[N+]([O-])c1c(F)cccc1[C@H]1NCCc2c(Cl)cc(Cl)cc21 963119735 HTIJGRZZHDZZJK-CQSZACIVSA-N 341.169 4.276 5 1 EIBF Cc1c(CC[C@H](C)[N+](=O)[O-])nc2cccc3c2c1-c1ccccc1C3=O 587105059 MOPXPFLTNDNFHT-LBPRGKRZSA-N 346.386 4.352 5 1 EIBF Cc1oc(-c2nc3c(C)c(Br)ccc3[nH]2)cc1[N+](=O)[O-] 587268550 DCDSZFKBSHKVDZ-UHFFFAOYSA-N 336.145 4.110 5 1 EIBF CCSc1ncccc1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279794 AYKBLEADHYIHNT-UHFFFAOYSA-N 328.349 4.079 5 1 EIBF O=C(Nc1cccc([N+](=O)[O-])c1)c1nc2cc(Cl)ccc2s1 1857744334 OKFJFAYEMHJTDD-UHFFFAOYSA-N 333.756 4.110 5 1 EIBF NC(=O)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)c1ccncc12 73221836 LOJQISPFNMBOGL-UHFFFAOYSA-N 333.778 4.202 5 1 EIBF O=[N+]([O-])c1ccc(C2=NC(=S)N[C@@H](c3ccc(Cl)cc3)C2)cc1 103162029 CHMIHDAUMDEORN-CQSZACIVSA-N 345.811 4.057 5 1 EIBF O=[N+]([O-])c1cc(/C=C\c2nc3cccc([N+](=O)[O-])c3[nH]2)ccc1Cl 587048413 ASRRJYPSXCLXOA-ALCCZGGFSA-N 344.714 4.203 5 1 EIBF O=[N+]([O-])c1cccc2[nH]c(-c3ccc(-c4nccs4)s3)nc12 587023259 GXWBVFXECBLKER-UHFFFAOYSA-N 328.378 4.323 5 1 EIBF CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1F)CC2=O 587467030 PQLLIABXJLYVSE-KRWDZBQOSA-N 345.326 4.099 5 1 EIBF COc1nc2cc3cccnc3c(Cl)c2nc1Cc1ccccc1 653756000 VPCYYJBRCLBDAB-UHFFFAOYSA-N 335.794 4.431 5 1 EIBF CCCc1cc(=O)oc2c1c1c(c3occc(=O)c32)C=CC(C)(C)O1 29133649 HAIQYKXZUHXYBX-UHFFFAOYSA-N 338.359 4.036 5 1 EIBF Cn1c2ccccc2c2ncc3c(=O)n(-c4ccc(Cl)cc4)[nH]c3c21 139629494 AHXWIQLDINLFCV-UHFFFAOYSA-N 348.793 4.012 5 1 EIBF O=C1C[C@H](c2ccc([N+](=O)[O-])s2)Oc2c1ccc1c2CCCC1 587531461 KMNLTFMFDWVZTR-CQSZACIVSA-N 329.377 4.242 5 1 EIBF O=[N+]([O-])c1cnc2[nH]c([C@@H](Cc3ccccc3)c3ccccc3)nc2c1 587956372 YXSHOEQPZJRJLM-KRWDZBQOSA-N 344.374 4.241 5 1 EIBF CN(C)CCNc1nc2c3cc(O)ccc3ccc2c2ccccc12 13600440 SRFNXHDTEHLVJM-UHFFFAOYSA-N 331.419 4.220 5 1 EIBF O=[N+]([O-])c1cc(/C=C\c2nc3cncc(Cl)c3[nH]2)ccc1Cl 587048193 QYCREXABWBVMOP-RQOWECAXSA-N 335.150 4.343 5 1 EIBF O=c1c2ccccc2n(CCCN2CCCC2)c2ccc(Cl)cc12 29037557 HYFXJDANCKDWKL-UHFFFAOYSA-N 340.854 4.294 5 1 EIBF CCOC(=O)c1c(-c2ccc(F)c(F)c2)[nH]c2cccc([N+](=O)[O-])c12 587645621 FUTBLWLEWOGFDY-UHFFFAOYSA-N 346.289 4.198 5 1 EIBF Oc1nc(O)c2ccc(-c3cc4ccccc4c4ccccc34)nc2n1 587561338 GSARXKQRDXXIGQ-UHFFFAOYSA-N 339.354 4.409 5 1 EIBF COc1cccc([C@@H](C)Cc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c1 587929906 DJILQNICOYCYNC-NSHDSACASA-N 325.368 4.134 5 1 EIBF Cc1ccc(NCCOc2ccc(Cl)cc2Cl)c([N+](=O)[O-])n1 73220865 DVOGOTLOUBMSJD-UHFFFAOYSA-N 342.182 4.096 5 1 EIBF COc1c2ccccc2nc2cc(I)ccc12 95585458 GRGKKGLSYZQYGQ-UHFFFAOYSA-N 335.144 4.001 5 1 EIBF O=[N+]([O-])c1cc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2cc1Cl 586886857 QMQQXSQAPWASNU-XIKOKIGWSA-N 339.782 4.496 5 1 EIBF CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1[N+](=O)[O-])CC2=O 587473386 SZUFNDCQLZSONX-LJQANCHMSA-N 341.363 4.134 5 1 EIBF CCc1c([C@H](C)NC(=O)OC(C)(C)C)[nH]c2cc([N+](=O)[O-])ccc12 587646535 FPXOJQMZNGWOOZ-JTQLQIEISA-N 333.388 4.224 5 1 EIBF O=[N+]([O-])c1c(O)oc2ccccc2/c1=N\c1ccc2ccccc2c1 102958857 USDIJZDAIVVUCP-LVZFUZTISA-N 332.315 4.432 5 1 EIBF C[C@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587512982 QTDACTCQRUIEPI-HXUWFJFHSA-N 337.375 4.354 5 1 EIBF O=[N+]([O-])c1cccc2c(Nc3cccc(Br)c3)ncnc12 3815335 QJBJVUJYJKBCJC-UHFFFAOYSA-N 345.156 4.044 5 1 EIBF O=c1[nH]c(=O)c2c1c1oc3ccccc3oc1c1[nH]c3ccccc3c12 58511436 LOKHQTFUGLPYBD-UHFFFAOYSA-N 342.310 4.015 5 1 EIBF O=[N+]([O-])c1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@H]3C2)c2ccccc12 169718610 MGERBMNVFTYJJP-QWRGUYRKSA-N 334.331 4.091 5 1 EIBF O=[N+]([O-])c1ccc(Cc2ccncc2)c(OCCc2ccccc2)c1 299860977 KEFDYWRWIBRFTC-UHFFFAOYSA-N 334.375 4.202 5 1 EIBF O=[N+]([O-])c1ccc(C2=NC(=S)N[C@@H](c3cccc(Cl)c3)C2)cc1 103162702 PIMNZZOCHFRFFB-OAHLLOKOSA-N 345.811 4.057 5 1 EIBF Cc1ccc(-c2cc(NC3CCC(C)CC3)ncn2)cc1[N+](=O)[O-] 82162332 OSIUIXMCXRZWCY-UHFFFAOYSA-N 326.400 4.351 5 1 EIBF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cccc([N+](=O)[O-])c2[nH]1 587925455 ANPZVBUBIJDITQ-GFCCVEGCSA-N 341.367 4.030 5 1 EIBF Cc1ccc(NC2(c3nc4cc([N+](=O)[O-])cnc4[nH]3)CCCC2)cc1 587237241 NTIVTYQYHKLPPL-UHFFFAOYSA-N 337.383 4.056 5 1 EIBF O=C(O)CCc1c(-c2ccc(Cl)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587644746 MEGXHDJNPZFZFY-UHFFFAOYSA-N 344.754 4.414 5 1 EIBF CN1[C@@H]2CC[C@@H]1CC(Oc1ccc([N+](=O)[O-])cc1)(c1ccccc1)C2 101154473 BRCANXWYXRAZQA-QZTJIDSGSA-N 338.407 4.126 5 1 EIBF Cc1c(F)cccc1-c1cc(-c2nc3cncnc3[nH]2)cc([N+](=O)[O-])c1 587137296 YAJVFANBTJECSU-UHFFFAOYSA-N 349.325 4.043 5 1 EIBF O=C(c1nc(Cl)ccc1Cl)c1coc2cc([N+](=O)[O-])ccc12 587279837 CSNJXODMKAACSU-UHFFFAOYSA-N 337.118 4.274 5 1 EIBF O=C(c1c(-c2ccc(F)cc2)[nH]c2cccc([N+](=O)[O-])c12)C(F)F 587646236 LUHKJJOFNZDVIR-UHFFFAOYSA-N 334.253 4.330 5 1 EIBF COc1cc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1F 587048576 XMVLTSMDYRDUPJ-HYXAFXHYSA-N 347.733 4.443 5 1 EIBF Cc1ccc([N+](=O)[O-])cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587511065 CWTYYYGMFSTDLF-LJQANCHMSA-N 337.375 4.489 5 1 EIBF O=C1C[C@]2(CCc3c([N+](=O)[O-])cccc32)Oc2c1ccc1c2CCCC1 587512530 OSVSMLWICFTWEW-NRFANRHFSA-N 349.386 4.281 5 1 EIBF O=[N+]([O-])c1ccc2nc(-c3cccnc3NCc3ccccc3)[nH]c2c1 587230359 TWAIXHZGHGOUKZ-UHFFFAOYSA-N 345.362 4.145 5 1 EIBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Cl)cc1[N+](=O)[O-])O2 587379867 YHZATNSWIHNGOH-QGZVFWFLSA-N 346.770 4.019 5 1 EIBF O=[N+]([O-])c1ccc(C(=S)Nc2ccc(Br)cc2)cc1 38260311 WGGZOIGNWRNFBL-UHFFFAOYSA-N 337.198 4.145 5 1 EIBF O=C1c2ccc3ccccc3c2-n2c1nc1cc3ccccc3cc1c2=O 84671498 RWOBLXLBMSPVKX-UHFFFAOYSA-N 348.361 4.237 5 1 EIBF CCCc1c(O)ccc2c1O[C@@H](c1ccc([N+](=O)[O-])cc1C)CC2=O 587473397 TWTKSXZTODZSOY-GOSISDBHSA-N 341.363 4.268 5 1 EIBF O=[N+]([O-])c1ccc(Nc2nc3c4ccccc4nc-3c(O)s2)cc1 100831952 WTTSYHZGKICWRN-UHFFFAOYSA-N 338.348 4.154 5 1 EIBF CC(C)Cc1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1O 45393107 FKNDEQFEERZKOJ-UHFFFAOYSA-N 329.356 4.143 5 1 EIBF CC[C@@]12C=C[C@@H](O1)[C@H](C(=O)c1ccccc1)[C@@H]2c1ccc([N+](=O)[O-])cc1 96922672 DAJBYLUBGUBPJS-JKBKZWBZSA-N 349.386 4.295 5 1 EIBF Cn1c2nc3ccccc3c-2c(NCCCCN)c2cc(F)ccc21 103005750 NONKIPMPANHPNN-UHFFFAOYSA-N 336.414 4.121 5 1 EIBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cc4c(cc3[nH]2)OCO4)o1 587265583 QHTBYECGCKPMKP-UHFFFAOYSA-N 349.302 4.127 5 1 EIBF O=[N+]([O-])c1ccc(O[C@@H](CCn2ccnc2)c2ccccc2)c(F)c1 45388391 AKYPHKQTWWMBEB-KRWDZBQOSA-N 341.342 4.141 5 1 EIBF O=C1C[C@@H](c2cc(F)ccc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587502977 JPQBIBXIERMXCH-SFHVURJKSA-N 341.338 4.319 5 1 EIBF C[C@@]1(c2ccccc2[N+](=O)[O-])NCCc2c(Cl)cc(Cl)cc21 963109028 ORSHQQATXQNSII-INIZCTEOSA-N 337.206 4.311 5 1 EIBF COc1ccc(CCc2cccc3c(=O)c4ccccc4[nH]c23)cc1 95595349 ACDIXJCHQOMRJL-UHFFFAOYSA-N 329.399 4.475 5 1 EIBF CCc1c([C@H](C)NC(=O)OC(C)(C)C)[nH]c2cccc([N+](=O)[O-])c12 587647142 RRUZAMCVMODSML-JTQLQIEISA-N 333.388 4.224 5 1 EIBF Cc1c(-c2nc3ccccc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979707 IKFZGCICAGYDTK-UHFFFAOYSA-N 332.157 4.209 5 1 EIBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)Nc1ccc(Cl)cc1 587645179 KHZMOAYLXFQBDN-UHFFFAOYSA-N 329.743 4.290 5 1 EIBF CC1(C)CCNc2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc21 1911573407 YCKCCGFFWOWSIU-UHFFFAOYSA-N 340.383 4.332 5 1 EIBF O=C(CCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)c1ccc(F)cc1 587161761 COJUVXANTWZYDO-UHFFFAOYSA-N 347.733 4.079 5 1 EIBF O=C(c1ccc(-c2ncccn2)cc1)c1coc2cc([N+](=O)[O-])ccc12 587279595 NBTYJVBWXIQGLJ-UHFFFAOYSA-N 345.314 4.029 5 1 EIBF O=[N+]([O-])c1cc2nc(COC/C=C/c3ccccc3)[nH]c2cc1Cl 587780546 CGVZEZZKLDCIKE-QPJJXVBHSA-N 343.770 4.355 5 1 EIBF C[C@H](NC(=O)c1ccc2c(=O)c3ccccc3[nH]c2c1)c1ccccc1 14970296 BCOFSTGTSIOSBF-AWEZNQCLSA-N 342.398 4.172 5 1 EIBF CCCCN(Cc1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] 26390640 VGHQXGPVLGDSKU-UHFFFAOYSA-N 327.384 4.429 5 1 EIBF Cc1c(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cccc1[N+](=O)[O-] 587260902 LLEZOPSPOLTBOE-UHFFFAOYSA-N 325.221 4.003 5 1 EIBF O=[N+]([O-])c1cc(Cl)ccc1[C@H]1c2c(F)cccc2C[C@H]2CCCN12 963101384 RHFJKTPDJSBSMO-ACJLOTCBSA-N 346.789 4.497 5 1 EIBF CCN(CC)CCCOc1ccc2c(=O)c3ccccc3oc2c1 71318988 OFHBYYGCUDLOAB-UHFFFAOYSA-N 325.408 4.057 5 1 EIBF O=[N+]([O-])c1cc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2cc1F 587023986 UCADPVYSXNVADV-UHFFFAOYSA-N 340.339 4.401 5 1 EIBF Nc1ccc(/C=C/c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 587251877 NYARBIZASVLXGZ-JXMROGBWSA-N 337.386 4.412 5 1 EIBF COc1c(F)ccc(F)c1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587133488 YHOZNRWDBNPQBY-UHFFFAOYSA-N 339.685 4.078 5 1 EIBF CCCc1c(O)ccc2c1O[C@H](c1csc([N+](=O)[O-])c1)CC2=O 587494275 KNDXRQADEUZTEX-AWEZNQCLSA-N 333.365 4.021 5 1 EIBF CCOC(=O)c1c(-c2ccc(F)c(C)c2)[nH]c2cccc([N+](=O)[O-])c12 587646420 SJERFHOJNPJWKM-UHFFFAOYSA-N 342.326 4.367 5 1 EIBF O=[N+]([O-])c1ccc(C2=NO[C@H](c3ccc(-c4cccnc4)cc3)C2)o1 1772632692 AHJPSFBFUZZXKF-KRWDZBQOSA-N 335.319 4.116 5 1 EIBF CC(=O)Nc1ccc(Cl)c(-c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c1 587051414 XBDFEBTYWLWMMC-UHFFFAOYSA-N 344.758 4.058 5 1 EIBF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc([N+](=O)[O-])c1)CC2=O 587473138 QFKRNKBKLRUYGK-LJQANCHMSA-N 341.363 4.134 5 1 EIBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4c(O)nccc4[nH]3)cc2)cc1 587272206 PTZKJKILLVMHJH-UHFFFAOYSA-N 348.318 4.031 5 1 EIBF O=[N+]([O-])c1cccc(-c2ccc([C@@H]3NCCc4ccc(O)cc43)cc2)c1 963341107 KJZJMOHEIWLXFT-NRFANRHFSA-N 346.386 4.203 5 1 EIBF O=[N+]([O-])c1cc(/C=C/c2nc3cncc(Cl)c3[nH]2)ccc1Cl 587048192 QYCREXABWBVMOP-DUXPYHPUSA-N 335.150 4.343 5 1 EIBF COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587929857 NEIYDFNGLPCHAZ-VOJFVSQTSA-N 341.342 4.064 5 1 EIBF