smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCc1ccc2c(c1)oc1c3ccc(O)cc3oc(=O)c21 70454271 GVGJFWYVWMIWMP-UHFFFAOYSA-N 280.279 3.960 5 1 CHBF biogenic,in-vitro CC(C)(C)Sc1ccc([CH-]N=O)cc1[N+](=O)[O-] 169690698 JBHLSWSUOZOUPC-UHFFFAOYSA-N 253.303 3.762 5 1 CHBF COc1ccc2nc3ccc4ccn(C)cc4c3c2c1 377386484 BLRIYBVIRNBDDX-UHFFFAOYSA-N 262.312 3.888 5 1 CHBF Cc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2N)cc1 587647403 GVNQZRRBLPOREX-UHFFFAOYSA-N 267.288 3.634 5 1 CHBF O=c1cc(/C=C/c2ccc([N+](=O)[O-])cc2)oc2ccccc12 3585862 CCDRTIJYUQSKQL-JXMROGBWSA-N 293.278 3.872 5 1 CHBF O=[N+]([O-])c1ccccc1-c1ccnc(-c2ccccn2)c1 26745854 HVLUWHCCLBDXFY-UHFFFAOYSA-N 277.283 3.719 5 1 CHBF COc1cc2c3c(cc4ccccc4c3c1OC)NCC2 13434421 YGUCZJBLGDQFBK-UHFFFAOYSA-N 279.339 3.978 5 1 CHBF COc1cc(OC)c2c(ccc3ccc(O)cc32)c1 14651030 QFDYWHOQROWGTK-UHFFFAOYSA-N 254.285 3.716 5 1 CHBF c1ccc2c(c1)[nH]c1cnc3c(nc4ccccn43)c12 13735001 YEHQQWXHNSBFQE-UHFFFAOYSA-N 258.284 3.517 5 1 CHBF Cc1c(-c2ccc(F)cn2)[nH]c2cc([N+](=O)[O-])ccc12 587645560 CJNFSSKDTVXEAJ-UHFFFAOYSA-N 271.251 3.586 5 1 CHBF O=c1oc2ccc([N+](=O)[O-])cc2c2c1Nc1ccccc1N2 101514627 SFXKAHFSAIQPDY-UHFFFAOYSA-N 295.254 3.502 5 1 CHBF COc1cc2cnc3c4ccncc4ccc3c2cc1OC 38817275 DUVIXYRCCRMMGG-UHFFFAOYSA-N 290.322 3.953 5 1 CHBF CCCCOc1cc(O)c2c(=O)c3ccccc3oc2c1 40878695 BHZJEVZXQLBDLS-UHFFFAOYSA-N 284.311 3.831 5 1 CHBF CCN(CC)[C@@H]1SC=C(c2ccc([N+](=O)[O-])cc2)S1 49019757 LUYVNJCOXHAMAL-CYBMUJFWSA-N 296.417 3.999 5 1 CHBF COc1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1 587278988 CKPMENBVVUPMPY-UHFFFAOYSA-N 297.266 3.581 5 1 CHBF O=[N+]([O-])c1ccc2c3c1[C@@H]1O[C@@H]1c1cccc(c1-3)[C@@H]1O[C@H]21 6009847 PSJVYDKXINWURE-JJXSEGSLSA-N 279.251 3.514 5 1 CHBF CCC[N+]([O-])(CCC)CCc1c[nH]c2ccccc12 71333895 LDXGXNZMEWBUSS-UHFFFAOYSA-N 260.381 3.845 5 1 CHBF CC1(C)C=Cc2c(cc3oc4ccccc4c(=O)c3c2O)O1 96932853 DFUSNNVZHPWEQA-UHFFFAOYSA-N 294.306 3.836 5 1 CHBF Cc1c(-c2cccc(N)c2)[nH]c2cccc([N+](=O)[O-])c12 587647325 FVJFEFSNWIHACB-UHFFFAOYSA-N 267.288 3.634 5 1 CHBF O=c1c2sc3ccccc3c2oc2cc(O)cc(O)c12 1486102 GRYVVGVFRXERGG-UHFFFAOYSA-N 284.292 3.572 5 1 CHBF COC(=O)[C@@H](C)c1ccc2c(=O)c3ccccc3ccc2c1 39220555 ZWBGMJXMKNGQOM-LBPRGKRZSA-N 292.334 3.630 5 1 CHBF COc1ccc(-c2nocc2-c2ccc([N+](=O)[O-])cc2)cc1 1857760359 NSMBFWUGFGULCZ-UHFFFAOYSA-N 296.282 3.925 5 1 CHBF O=c1c2ccc(Cl)cc2[nH]c2c1[nH]c1ccccc12 64526584 HKWMNMYPJNMUDM-UHFFFAOYSA-N 268.703 3.816 5 1 CHBF Cn1c2ccc(Cl)cc2c2cc3ccccc3c[n+]21 21718 WDWFACLUHRWCFL-UHFFFAOYSA-N 267.739 3.724 5 1 CHBF Cc1cc2[nH]c(=O)c3c4ccccc4cn3c2cc1C 29051814 JPAYJDICSQHMCX-UHFFFAOYSA-N 262.312 3.551 5 1 CHBF O=[N+]([O-])c1cccc(-c2cc(-c3ccccc3)n[nH]2)c1 29062907 SVHYSTBWDWOXAJ-UHFFFAOYSA-N 265.272 3.652 5 1 CHBF Nc1ccc2[nH]c3c[nH]c4c5ccccc5nc-4c3c2c1 100660631 OKSHQNWYOHTQJD-UHFFFAOYSA-N 272.311 3.884 5 1 CHBF CCc1c2ccccc2[n+](C)c2c1[nH]c1ccccc12 28015259 VEESWSQPFBOEOS-UHFFFAOYSA-O 261.348 3.861 5 1 CHBF COc1ccc(-c2cc3ccc([N+](=O)[O-])cc3[nH]2)cc1 66078585 CQCHIJJPMNEVBK-UHFFFAOYSA-N 268.272 3.752 5 1 CHBF CCc1noc(-c2ccc3c(=O)c4ccccc4oc3c2)n1 1772619538 QQNHNILOZBHEGK-UHFFFAOYSA-N 292.294 3.559 5 1 CHBF O=[N+]([O-])c1cc(Br)cc2nc(C3CCC3)[nH]c12 586885097 WOVJYAWARZUVOU-UHFFFAOYSA-N 296.124 3.501 5 1 CHBF O=[N+]([O-])c1cccc(-n2nc3cc2Oc2ccc(F)cc2-3)c1 587875602 SFTRCVOQIWDPCS-UHFFFAOYSA-N 297.245 3.692 5 1 CHBF O=[N+]([O-])c1ccc(Sc2c(O)ccc(O)c2Cl)cc1 1772588153 TUQQBVKMHAHZIV-UHFFFAOYSA-N 297.719 3.811 5 1 CHBF O=c1cc2oc3cc4ccccc4cc3nc-2c2cccnc12 36475998 GXKXIXTUJVRGHU-UHFFFAOYSA-N 298.301 3.994 5 1 CHBF COc1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)cc1 49114835 HZGKYBLBZDROKF-UHFFFAOYSA-N 295.298 3.661 5 1 CHBF O=[N+]([O-])c1cccc2[nH]c(Cc3ccc(F)cc3)c(O)c12 587645674 HOJBWFICFXMOEY-UHFFFAOYSA-N 286.262 3.512 5 1 CHBF O=c1cc(-c2cccc([N+](=O)[O-])c2)oc2ccc(F)cc12 29549174 QKZNNAUSAVZXNE-UHFFFAOYSA-N 285.230 3.507 5 1 CHBF in-vivo C[C@@H](C(=O)O)c1ccc2c(=O)c3ccccc3ccc2c1 6037127 CYCCNOGIPSEDOQ-LLVKDONJSA-N 278.307 3.541 5 1 CHBF COC(=O)c1cccc(-c2cc3cc([N+](=O)[O-])ccc3[nH]2)c1 40896581 YGBCQCXGOVJDGO-UHFFFAOYSA-N 296.282 3.530 5 1 CHBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1-c1ccn(C(C)C)n1 587647661 LQGDXBSNYXAETA-UHFFFAOYSA-N 284.319 3.829 5 1 CHBF CCCC/C=C\c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587966818 XYBXDZLIOKDPAE-WAYWQWQTSA-N 290.279 3.583 5 1 CHBF O=C(c1c(C2CC2)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)F 587645601 ZHFAHCZCPLNAOW-UHFFFAOYSA-N 298.220 3.699 5 1 CHBF Cc1ccc([C@H](c2ccc([N+](=O)[O-])cc2)n2ccnc2)cc1 28236609 DSVYPVZAPHUUAB-QGZVFWFLSA-N 293.326 3.737 5 1 CHBF O=C(c1ccc(F)c([N+](=O)[O-])c1)c1coc2ccccc12 587280935 JEAMTZLSIWCPSV-UHFFFAOYSA-N 285.230 3.711 5 1 CHBF Cn1cnc2c3c(Cl)c4ccccc4nc3ccc21 103172533 KWKWOCBVTCCTGB-UHFFFAOYSA-N 267.719 3.928 5 1 CHBF O=[N+]([O-])c1ccccc1CN1[CH]C=Cc2ccccc21 2356812345 FRVNMYQSSUICGN-UHFFFAOYSA-N 265.292 3.790 5 1 CHBF O=C(O)c1cc2c(ccc3ccc4oc(C(=O)O)cc4c32)o1 44460278 KPCHRAXFURQEBV-UHFFFAOYSA-N 296.234 3.729 5 1 CHBF in-vitro COc1ccc2[nH]c3c4c[n+](C)ccc4c(C)cc3c2c1 29463108 CCUITBXDYRRJQN-UHFFFAOYSA-O 277.347 3.616 5 1 CHBF COc1ccc(C=Cc2ccc([N+](=O)[O-])cc2)c(OC)c1 2356827522 ZKOJHCNGICYBHV-UHFFFAOYSA-N 285.299 3.782 5 1 CHBF O=[N+]([O-])c1cc(Nc2ccc3ccccc3n2)ccc1O 73223444 QMBNORVNLYVAFK-UHFFFAOYSA-N 281.271 3.592 5 1 CHBF CC[C@@H](C)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587956463 RJXYOHBYLFARCS-ZCFIWIBFSA-N 298.140 3.747 5 1 CHBF CCn1cc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C)c(C)n1 587647958 VQRSGDQOWRKTOT-UHFFFAOYSA-N 284.319 3.576 5 1 CHBF CCc1cc(O)c(Oc2ccccc2[N+](=O)[O-])cc1F 584904941 XQDRDJODNDLLTL-UHFFFAOYSA-N 277.251 3.794 5 1 CHBF in-vitro Cc1c2c3cc(O)ccc3nc-2n(C)c2ccccc12 1637736 JOSXKULEUUHSGS-UHFFFAOYSA-N 262.312 3.845 5 1 CHBF O=[N+]([O-])c1ccccc1[C@@H]1SCc2nc3ccccc3n21 5581765 PSYDBXIUPWICOV-HNNXBMFYSA-N 297.339 3.738 5 1 CHBF Cc1cc2c3c(cc4ccccc4c3c1C)N(C)C(=O)C2=O 28863126 HLXISXCPGBXLIE-UHFFFAOYSA-N 289.334 3.769 5 1 CHBF COc1cc2nc(-c3cccc([N+](=O)[O-])c3C)[nH]c2cc1C 587260886 KLZNKKWDBQSDOX-UHFFFAOYSA-N 297.314 3.764 5 1 CHBF CSCC(C)(C)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 586969555 VBFAGTVENWEUTD-UHFFFAOYSA-N 299.783 3.765 5 1 CHBF C=Cc1ccc2c(c1)c(=O)oc1c(C)c(O)ccc12 28571164 ARPCLDLOZVEXFP-UHFFFAOYSA-N 252.269 3.603 5 1 CHBF O=C(O)c1nc2ccccc2c2[nH]c3ccccc3c12 473107708 JXJSVFUEFQUINC-UHFFFAOYSA-N 262.268 3.568 5 1 CHBF Cc1ccc(-c2c(C)[nH]c3cc([N+](=O)[O-])ccc23)nc1 587649755 ZEZKGHBTCKZKIM-UHFFFAOYSA-N 267.288 3.755 5 1 CHBF O=[N+]([O-])c1cccc(COc2ccc([C@H](O)C3CC3)cc2)c1 66251401 CIKWKCMDJHCXKF-QGZVFWFLSA-N 299.326 3.617 5 1 CHBF O=[N+]([O-])c1ccc(-c2cc(-c3ccc(O)cc3)no2)cc1 169348317 ZVEGREDOONHQHF-UHFFFAOYSA-N 282.255 3.622 5 1 CHBF C[C@@H]1C[C@]12c1ccc3c(ccc4ccc(O)cc43)c1C[C@@H]2O 2356563882 PRRJPKJJZIGPIA-WWGWPZPMSA-N 290.362 3.893 5 1 CHBF C[C@@]1(c2ccccc2)CC(c2cccc([N+](=O)[O-])c2)=NO1 5808529 OQPBEHCWTUHRJG-INIZCTEOSA-N 282.299 3.635 5 1 CHBF C[N+](C)(C)CCOc1ccc(/C=C/c2ccccc2)cc1 36079926 LSHCDRJBFRVFPC-MDZDMXLPSA-N 282.407 3.942 5 1 CHBF CCc1c(-c2ccccn2)[nH]c2cc([N+](=O)[O-])ccc12 587648295 BNJXGBPYWVPTLQ-UHFFFAOYSA-N 267.288 3.701 5 1 CHBF C[N+](C)(C)[C@@H]1Cc2ccccc2[C@@H](c2ccccc2)C1 13557286 DDJVCQZXVDKEPP-IEBWSBKVSA-N 266.408 3.840 5 1 CHBF C=Cc1cc(C(=O)OC)c2c(cnc3ccccc32)c1 144627504 ICHHFDQICLUNRA-UHFFFAOYSA-N 263.296 3.818 5 1 CHBF O=[N+]([O-])c1cccc2[nH]c(-c3ccc(F)cc3F)c(O)c12 587646065 SKJCOZMUERSJAB-UHFFFAOYSA-N 290.225 3.727 5 1 CHBF CCCNc1cc(=O)oc2c1ccc1ccccc12 53243825 OYILQWPQTFHSRN-UHFFFAOYSA-N 253.301 3.768 5 1 CHBF C[n+]1c2cccc(O)c2cc2sc3ccccc3c21 66166854 REKSXVAUIHFICL-UHFFFAOYSA-O 266.345 3.738 5 1 CHBF COc1ccc2c3ccn4nc(C)c(C)cc4c-3nc2c1 377810353 FPZVYLTVTLKSTK-UHFFFAOYSA-N 277.327 3.613 5 1 CHBF CC(C)(C)[C@@H]1CC[C@@H](c2nc3cc([N+](=O)[O-])cnc3[nH]2)C1 587970104 YRJGWEZXBKXOAY-NXEZZACHSA-N 288.351 3.796 5 1 CHBF CCCC/C=C\c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587965296 JJJXNZFRKLGKLZ-WAYWQWQTSA-N 263.272 3.814 5 1 CHBF COc1cccc2c1[nH]c1c3ccncc3cc(C#N)c21 217054166 UHOPJKMQVDXYAV-UHFFFAOYSA-N 273.295 3.750 5 1 CHBF O=[N+]([O-])c1cccc2nc([C@H]3C[C@H]3c3cccc(F)c3)[nH]c12 587162860 MCVISORSBJMVDJ-RYUDHWBXSA-N 297.289 3.881 5 1 CHBF O=C(c1coc2cc([N+](=O)[O-])ccc12)[C@@H]1C[C@H]2CC[C@H]1C2 587279793 AWAHOWUXJPZQJX-OUJBWJOFSA-N 285.299 3.960 5 1 CHBF COc1c(C)cc2c(=O)oc3c(C)c(O)ccc3c2c1C 28572204 CFFZDGHCPAMSNI-UHFFFAOYSA-N 284.311 3.586 5 1 CHBF CCc1c(-c2cccnc2)[nH]c2cccc([N+](=O)[O-])c12 587648465 DYVCNRMGEYZGOE-UHFFFAOYSA-N 267.288 3.701 5 1 CHBF O=[N+]([O-])c1ccc2c(c1)-c1nc3cccc4c3c(c1C2)CC4 587211373 QEZWOHAPWUGHSA-UHFFFAOYSA-N 288.306 3.813 5 1 CHBF CC(C)=CCc1cccc2nc3c(C(=O)O)cccc3nc12 5159024 CVDTVMVFBZCMRF-UHFFFAOYSA-N 292.338 3.990 5 1 CHBF biogenic O=Cc1c[nH]c2c1ccc1c3cc(F)ccc3[nH]c12 64485706 MWJXEWYSFDLQRR-UHFFFAOYSA-N 252.248 3.754 5 1 CHBF Cc1c(-c2ccccc2)[nH]c2c([N+](=O)[O-])cc(O)cc12 72113562 GHBRKSXMDFFFSD-UHFFFAOYSA-N 268.272 3.757 5 1 CHBF CN(C)[C@H]1CC=C(c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 28819414 OQPMHMPOPMZPGV-LBPRGKRZSA-N 285.347 3.574 5 1 CHBF O=[N+]([O-])c1cccc(-c2[nH]c3cccc(F)c3c2O)c1 587635563 KOGPQCAUFOVPTE-UHFFFAOYSA-N 272.235 3.588 5 1 CHBF CCCC(=O)Oc1cc(O)nc2c1ccc1ccccc12 1772574773 UUEMKKRRAOOTSV-UHFFFAOYSA-N 281.311 3.799 5 1 CHBF CCOc1ccc(-c2cc3ccccn3c2)cc1[N+](=O)[O-] 973154 UFDWCWSDNGBDGK-UHFFFAOYSA-N 282.299 3.913 5 1 CHBF biogenic O=C(c1ccc([N+](=O)[O-])cc1)c1coc2ccccc12 587280758 XSWRMIMHPJYOQF-UHFFFAOYSA-N 267.240 3.572 5 1 CHBF Cc1c(CC[C@@H](C)[N+](=O)[O-])[nH]c2ccc(F)c(Cl)c12 587631136 HOFRQYOKPCSUSH-SSDOTTSWSA-N 284.718 3.867 5 1 CHBF O=C1c2cnc(O)cc2-c2nc3ccccc3c3cccc1c23 2356785682 AMQIOMARUCIKGU-UHFFFAOYSA-N 298.301 3.700 5 1 CHBF O=c1cc([C@@H]2CCC[C@H](O)C2)oc2c1ccc1ccccc12 1857562112 SLWFKIMWSNPYPZ-KGLIPLIRSA-N 294.350 3.965 5 1 CHBF O=[N+]([O-])c1c[nH]cc1-c1cc(Cl)cc(Cl)c1 6524439 TYCAMKSFODZPIS-UHFFFAOYSA-N 257.076 3.897 5 1 CHBF CN(C)CCN=c1c2ccccc2sc2ccccc12 27088310 FMJHEURPBKWTHX-UHFFFAOYSA-N 282.412 3.517 5 1 CHBF NCCCNc1c2ccccc2nc2c1[nH]c1ccccc12 138982910 OISNUYLKEMODBD-UHFFFAOYSA-N 290.370 3.630 5 1 CHBF C[C@@H]1C[C@]12c1ccc3c(ccc4ccc(O)cc43)c1C[C@H]2O 2356563880 PRRJPKJJZIGPIA-HDZZMESHSA-N 290.362 3.893 5 1 CHBF Cc1cc(=O)oc2c(O)c3oc4ccccc4c3cc12 27518532 KVGNGXFOHLTDJI-UHFFFAOYSA-N 266.252 3.706 5 1 CHBF C[C@@H]1C[C@@]12c1ccc3c(ccc4ccc(O)cc43)c1C[C@@H]2O 238784873 PRRJPKJJZIGPIA-WFRWYCSKSA-N 290.362 3.893 5 1 CHBF O=C(c1c(C2CC2)[nH]c2cc([N+](=O)[O-])ccc12)C(F)(F)F 587645245 MENOSXAMXFZKGH-UHFFFAOYSA-N 298.220 3.699 5 1 CHBF O=c1oc2ccc(Cl)cc2c2nc3c(cc12)CCCC3 103272138 GWYJXNTUQUDXTQ-UHFFFAOYSA-N 285.730 3.873 5 1 CHBF C=Cc1ccc(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)cc1 586881728 OMOUMPJBHJNGKL-UHFFFAOYSA-N 283.262 3.920 5 1 CHBF O=[N+]([O-])c1cccc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c12 586888378 ITDWCLZIGNSMGB-GUUCOKDPSA-N 297.358 3.939 5 1 CHBF COc1ccc2nc(/C=C/c3ccc([N+](=O)[O-])o3)ccc2c1 299819364 BVSBIAWPKYIFEG-SNAWJCMRSA-N 296.282 3.915 5 1 CHBF O=[N+]([O-])c1c(O)sc2ccccc2/c1=N/c1ccccc1 103992230 FHOXNEBXMIDYTH-SSZFMOIBSA-N 298.323 3.748 5 1 CHBF Cc1cc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2cc1F 587160165 JVLXFGZITRCQLS-UHFFFAOYSA-N 289.241 3.725 5 1 CHBF Cc1c(-c2nc3cccc(C)c3[nH]2)cccc1[N+](=O)[O-] 587260976 NSMZCHCSJMGCNX-UHFFFAOYSA-N 267.288 3.755 5 1 CHBF COc1ccc2c(c1)[nH]c(=N)c1c3cc(C)c(C)cc3cn21 299861603 LRJKSXDYPXREBX-UHFFFAOYSA-N 291.354 3.679 5 1 CHBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1CCC(F)(F)F 587645935 FMBJIHBZRAYMSH-UHFFFAOYSA-N 272.226 3.879 5 1 CHBF Cn1c2nc3ccccc3c-2cc2cc([N+](=O)[O-])ccc21 13475322 KLJGGWBGYZNZIT-UHFFFAOYSA-N 277.283 3.740 5 1 CHBF O=[N+]([O-])c1ccc2c(c1)CC[C@@H](NCc1ccccc1)CC2 653748026 WKGQZQOSXNTTNI-KRWDZBQOSA-N 296.370 3.632 5 1 CHBF CCCCC[C@H](C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 6778256 RROCMCBQTUYDSD-VIFPVBQESA-N 282.296 3.892 5 1 CHBF in-vivo Cc1cc(=O)oc2cc3oc4ccccc4c3c(O)c12 27518314 QWURTNMZCZRBDX-UHFFFAOYSA-N 266.252 3.706 5 1 CHBF COc1cc([C@@H](C)N(C)C)c2c(c1)oc(=O)c1ccccc12 220079854 SCSRJMKBYZFLKJ-LLVKDONJSA-N 297.354 3.577 5 1 CHBF Cc1ccc2nc3c(Cl)cc(=O)cc-3sc2c1 5809353 GCJIMLPITVEZGE-UHFFFAOYSA-N 261.733 3.723 5 1 CHBF NCCCNc1nc2ccccc2c2[nH]c3ccccc3c12 169309436 UZSFSIFJNVMYBV-UHFFFAOYSA-N 290.370 3.630 5 1 CHBF O=C(O)c1cc(=O)c2c(ccc3c4ccccc4sc32)[nH]1 169319937 RXAWUWHOQPDZHT-UHFFFAOYSA-N 295.319 3.594 5 1 CHBF C[C@@H]1CC[N@+]2(C)CCc3c([nH]c4ccccc34)[C@@H]2C1 261101984 GNYLBMQRZQXDNA-RNRVQEDPSA-N 255.385 3.642 5 1 CHBF O=[N+]([O-])Cc1[nH]c2cccc([N+](=O)[O-])c2c1-c1ccccc1 587647759 OMODDCYHIJXDMR-UHFFFAOYSA-N 297.270 3.520 5 1 CHBF Cc1cccc(-c2c(C)[nH]c3cccc([N+](=O)[O-])c23)n1 587648597 IWHBIMRRTRPNNB-UHFFFAOYSA-N 267.288 3.755 5 1 CHBF Cc1c(O)ccc2c1ccc1cc(O)cc(C=O)c12 13335208 VTKYCHCADSWEBT-UHFFFAOYSA-N 252.269 3.525 5 1 CHBF biogenic,in-vitro CC(=O)[C@@H](c1ccccc1)[C@H](c1ccccc1)[C@@H](C)[N+](=O)[O-] 13152325 JMJGTAJCIPQMSZ-BVGQSLNGSA-N 297.354 3.808 5 1 CHBF Cc1cc2[nH]c(CCc3ccccc3F)nc2cc1[N+](=O)[O-] 587148728 FKTPJSYHWDFYKH-UHFFFAOYSA-N 299.305 3.704 5 1 CHBF Cc1ccc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2c1C 587270934 XJZXNLSMFKXIHI-UHFFFAOYSA-N 295.342 3.873 5 1 CHBF O=[N+]([O-])c1cccc([C@H]2SCc3nc4ccccc4n32)c1 12942800 JPYOBZYHHWLYHI-OAHLLOKOSA-N 297.339 3.738 5 1 CHBF C[N+]1(C)[C@H]2Cc3ccccc3[C@@H]1Cc1ccccc12 1729827 AIORUBXFIDFMPZ-ROUUACIJSA-N 250.365 3.658 5 1 CHBF Cc1c2cc[n+](C)cc2c(C)c2c1[nH]c1c(O)cccc12 26744539 JPJCTJABODHFLU-UHFFFAOYSA-O 277.347 3.621 5 1 CHBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1N1CCCCCC1 587649431 UVBHIONQTKRHDG-UHFFFAOYSA-N 273.336 3.765 5 1 CHBF c1ccc(-c2cc3ncc4ccccc4c3nn2)cc1 28761259 NMSRVLCNNDQFTE-UHFFFAOYSA-N 257.296 3.845 5 1 CHBF O=[N+]([O-])c1ccccc1-n1nc2cc1Oc1ccc(F)cc1-2 587874691 HXBMJOWDPUOQFN-UHFFFAOYSA-N 297.245 3.692 5 1 CHBF C[N+]1(C)[C@@H]2Cc3ccccc3[C@H]1Cc1ccccc12 1729828 AIORUBXFIDFMPZ-QZTJIDSGSA-N 250.365 3.658 5 1 CHBF O=[N+]([O-])[C@H]1[C@H](c2ccc(Cl)cc2Cl)[C@H]2C=C[C@H]1C2 103129579 DAIZNWRWPDYRFJ-QQXRRDQMSA-N 284.142 3.928 5 1 CHBF COc1ccccc1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279593 NANBMCLMDTWWTA-UHFFFAOYSA-N 297.266 3.581 5 1 CHBF O=C(O)c1cccc2c1[nH]c1c3ccccc3oc21 26176778 WKBIIOXVKZNDPK-UHFFFAOYSA-N 251.241 3.766 5 1 CHBF Cc1cccc2c3nn4c(C(C)C)nnc4sc-3cc12 72114721 VBHUMOVKVPXYDP-UHFFFAOYSA-N 282.372 3.876 5 1 CHBF COc1ccc2c(=O)c3[nH]c4ccccc4c3sc2c1 43079062 GVBZGNQQEWRGDH-UHFFFAOYSA-N 281.336 3.905 5 1 CHBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)Nc1ccccc1 587646847 LRJYMKLVKDKCPL-UHFFFAOYSA-N 295.298 3.637 5 1 CHBF CN(C)c1cc(N)c2c3ccc4ccccc4c3n(C)c2n1 43119916 SBDLYUZBFDJZFG-UHFFFAOYSA-N 290.370 3.528 5 1 CHBF Cc1c2ccncc2c(CO)c2c1[nH]c1ccccc12 5159831 BXYTXDGNFNTMLR-UHFFFAOYSA-N 262.312 3.670 5 1 CHBF biogenic C[C@@H]1Nc2ccc3cc4ccccc4nc3c2CO1 40763301 XYPQFXMKQKQDAG-SNVBAGLBSA-N 250.301 3.676 5 1 CHBF COc1cc2c(ccc3cccc(OC)c32)cc1O 14650982 GBFFYRCYFWOKKQ-UHFFFAOYSA-N 254.285 3.716 5 1 CHBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1N1CCCC[C@H]1C 587649349 SIBULEWMSQKTDP-SNVBAGLBSA-N 273.336 3.763 5 1 CHBF O=[N+]([O-])c1ccccc1COc1c[nH]c2ccccc12 84397732 JEHAUZCWZJBDCW-UHFFFAOYSA-N 268.272 3.655 5 1 CHBF Cn1c2ccccc2c(=O)c2ccc3c(c21)C=CC(C)(C)O3 27524636 OQHMSKQIPWZJKT-UHFFFAOYSA-N 291.350 3.876 5 1 CHBF CC[C@H](C)Nc1cc(-c2ccc(C)c([N+](=O)[O-])c2)ncn1 82162445 JUYRQWHXVUMORG-NSHDSACASA-N 286.335 3.571 5 1 CHBF O=[N+]([O-])c1ccc2nc(-c3ccoc3C3CC3)[nH]c2c1 586900851 FSEOCXPYTHQKBS-UHFFFAOYSA-N 269.260 3.609 5 1 CHBF CC1(C)C=Cc2c(ccc3oc4cc(O)ccc4c(=O)c23)O1 14514246 WUBJQVSGRLKHQK-UHFFFAOYSA-N 294.306 3.836 5 1 CHBF Cn1cc(-c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 6523751 LGSWFGKMFPAYBV-UHFFFAOYSA-N 271.103 3.907 5 1 CHBF c1cnc2ccc3c4cc5c(cc4cnc3c2c1)OCO5 49807837 XLKKIOLXDAIQKT-UHFFFAOYSA-N 274.279 3.665 5 1 CHBF COc1ccc2c(c1)C[C@H]1[C@]3(CCCC[C@@H]23)CC[N+]1(C)C 95558848 VECGWUSFYLNHCH-GBESFXJTSA-N 286.439 3.744 5 1 CHBF O=[N+]([O-])c1ccc2c(O)c(-c3ccc(F)cc3)[nH]c2c1 587645977 PGFCLHVOLGUWTE-UHFFFAOYSA-N 272.235 3.588 5 1 CHBF O=[N+]([O-])c1cc2nc(/C=C\c3ccsc3)[nH]c2cc1F 587026082 QZSZQJBAOLZAHH-UPHRSURJSA-N 289.291 3.842 5 1 CHBF O=C(COc1ccc([N+](=O)[O-])cc1)c1coc2ccccc12 314614616 VNKJZKYAXPOPPG-UHFFFAOYSA-N 297.266 3.603 5 1 CHBF COc1cc(O)c2c(ccc3ccc(OC)cc32)c1 14651036 NTVJURNVFOEVHP-UHFFFAOYSA-N 254.285 3.716 5 1 CHBF endogenous,in-man COc1ccc(OC)c(C=Cc2ccc([N+](=O)[O-])cc2)c1 1857623731 HVSBSYHEGIPGAW-UHFFFAOYSA-N 285.299 3.782 5 1 CHBF O=[N+]([O-])c1cccc(/C=C2\CCCN=C2c2cccnc2)c1 53230255 YVOVKTCLMUMXGH-GXDHUFHOSA-N 293.326 3.656 5 1 CHBF O=[N+]([O-])Cc1c(-c2ccccc2)[nH]c2cccc(F)c12 587636129 RKTDHBSWJUNCLS-UHFFFAOYSA-N 270.263 3.751 5 1 CHBF C[C@@H]1CC[N@+]2(C)CCc3c([nH]c4ccccc34)[C@H]2C1 261101985 GNYLBMQRZQXDNA-SMNXXWJPSA-N 255.385 3.642 5 1 CHBF O=[N+]([O-])c1cccc(-c2ccc([N+](=O)[O-])c3cccnc23)c1 1857643291 MVBWYAATEDGACD-UHFFFAOYSA-N 295.254 3.718 5 1 CHBF O=[N+]([O-])c1ccc2nc(/C=C\c3ccsc3)[nH]c2c1 587025629 LYWCISNZIIZPMG-RJRFIUFISA-N 271.301 3.703 5 1 CHBF CCN(CC)C/C(C)=C(/C)Cc1ccc([N+](=O)[O-])cc1 29208917 KJDTUHBRLHPOLX-YPKPFQOOSA-N 276.380 3.816 5 1 CHBF Cc1cc(=O)oc2c1c(O)cc1oc3ccccc3c12 28767452 HRNJCEWLZTZYRU-UHFFFAOYSA-N 266.252 3.706 5 1 CHBF O=[N+]([O-])c1ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3)[nH]c2c1 587162248 INKQJGUHDMHVFW-CHWSQXEVSA-N 297.289 3.881 5 1 CHBF COc1cc(C)ccc1-c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 587925045 JDDDANJZSRKHNH-UHFFFAOYSA-N 297.314 3.764 5 1 CHBF CC[C@H]1C[N+]23CCc4c([nH]c5cc(O)ccc45)[C@@H]2C[C@@H]1CC3 86031883 FSZWMVOPDDTKGW-VRHCHQEBSA-O 297.422 3.737 5 1 CHBF C/C(=C/c1nc2cncc([N+](=O)[O-])c2[nH]1)C1CCCCC1 587966723 FZKPJWMWPRIHNQ-YFHOEESVSA-N 286.335 3.850 5 1 CHBF O=Nc1c2nc3ccccc3n(O)c-2c2ccccc12 4078311 OCERACDICRUDGM-UHFFFAOYSA-N 263.256 3.930 5 3 CHBF Cc1cc(Nc2cccc([N+](=O)[O-])c2)nc2cc(O)ccc12 4961177 IJKAFBCWNISTIJ-UHFFFAOYSA-N 295.298 3.901 5 1 CHBF Cc1coc2c1c(=O)oc1c3cccc(O)c3ccc21 45385094 USEVRKPQGIPKDJ-UHFFFAOYSA-N 266.252 3.706 5 1 CHBF O=[N+]([O-])c1cnc2c(c1)Sc1cc(Cl)ccc1N2 1857633516 ZWJUXPBEDCHCKC-UHFFFAOYSA-N 279.708 3.851 5 1 CHBF CC[C@H](C(=O)OC[N+](CC)(CC)CC)c1ccccc1 27526368 JERDLZDHCYOSOH-INIZCTEOSA-N 278.416 3.557 5 1 CHBF Cc1ccc(OCc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1 587565351 COOCQZIKUBYPQT-UHFFFAOYSA-N 297.314 3.667 5 1 CHBF CC1=CC[C@H](c2nnc(C)o2)[C@@H](c2ccc([N+](=O)[O-])cc2)C1 209448 NOUCIWSLYZNDKD-LSDHHAIUSA-N 299.330 3.894 5 1 CHBF Cc1ccc(Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1 40980990 NHXIZROPQHPWME-UHFFFAOYSA-N 268.272 3.635 5 1 CHBF O=[N+]([O-])c1cccc(-c2cc3c4c(cccc4n2)CC3)c1O 587211308 OYLDQTMQXQMAAK-UHFFFAOYSA-N 292.294 3.614 5 1 CHBF Nc1ccc2c3ccc([N+](=O)[O-])cc3[c-](N=O)c2c1 169693825 AJYVHCKNZNPWSF-UHFFFAOYSA-N 254.225 3.600 5 1 CHBF COC(=O)c1cc2ccc3c4ccccc4[nH]c3c2cc1O 40949832 XZZXEOXDAIQXTP-UHFFFAOYSA-N 291.306 3.967 5 1 CHBF O=[N+]([O-])c1ccc(C2=NO[C@@H](c3ccc(F)cc3)C2)cc1 98082258 HPONFDZDVLEMPI-OAHLLOKOSA-N 286.262 3.600 5 1 CHBF CCO[P@](=O)(Oc1ccc([N+](=O)[O-])cc1)OC(C)C 28262923 PSUNTQOMZQDQME-IBGZPJMESA-N 289.224 3.543 5 1 CHBF CC1(C)C=Cc2cc3oc4ccccc4c(=O)c3c(O)c2O1 96932842 GQQNCIBKGHDXHZ-UHFFFAOYSA-N 294.306 3.836 5 1 CHBF Cc1c(-c2nc3cccc(F)c3[nH]2)cccc1[N+](=O)[O-] 587260738 BQSPBBUMGBNMEG-UHFFFAOYSA-N 271.251 3.586 5 1 CHBF CCNc1c([N+](=O)[O-])cc2c(c1[N+](=O)[O-])CCCC2(C)C 38527887 KORCEOUIQDTRDT-UHFFFAOYSA-N 293.323 3.549 5 1 CHBF COc1cccc2c1cc1c3ccccc3nc-1n2C 13475331 FJJGFKBPRNRITA-UHFFFAOYSA-N 262.312 3.840 5 1 CHBF CC(C)=CCc1c(O)cc2oc3ccccc3c(=O)c2c1O 1857598361 WCCUCTBHOOFRIW-UHFFFAOYSA-N 296.322 3.866 5 1 CHBF Cc1cc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2cc1C 587160377 QDZXPMSJXOUGHV-UHFFFAOYSA-N 285.278 3.894 5 1 CHBF COc1nc2cc3cccnc3c(Cl)c2nc1C(C)C 653765576 DDJNKVAUOCHNHG-UHFFFAOYSA-N 287.750 3.963 5 1 CHBF COc1cc(OC)c2c3c(cc4ccccc42)NC(=O)c13 13484724 BXABBTKWRFXWJL-UHFFFAOYSA-N 279.295 3.576 5 1 CHBF biogenic,in-vitro CC1=CN2[CH]C=CC(C)=C2N1Cc1ccccc1[N+](=O)[O-] 2356831721 BRRHMEYACSGLEC-UHFFFAOYSA-N 282.323 3.537 5 1 CHBF C/C(=C/c1nc2cc([N+](=O)[O-])cnc2[nH]1)C1CCCCC1 587969247 XEQQQDCAFHLEGM-YFHOEESVSA-N 286.335 3.850 5 1 CHBF Nc1c(-c2ccc(Cl)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587645218 ZUQZEDHRSQIVDK-UHFFFAOYSA-N 287.706 3.979 5 1 CHBF COc1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)on2)cc1 38684244 BLMXMHISOLYJNJ-UHFFFAOYSA-N 296.282 3.925 5 1 CHBF Cc1c2c3cc(N)ccc3nc-2n(C)c2ccccc12 653751698 ISBUGCPZXZATEZ-UHFFFAOYSA-N 261.328 3.722 5 1 CHBF O=[N+]([O-])c1cc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2cc1Cl 587967944 VAEWVWKUYKJTAZ-DJLDLDEBSA-N 289.722 3.804 5 1 CHBF Cc1ccc(C)c2[nH]c(CCc3cccc([N+](=O)[O-])c3)nc12 587270966 YJIJLSGYTDYSDV-UHFFFAOYSA-N 295.342 3.873 5 1 CHBF Cc1cn(-c2ccc([N+](=O)[O-])cc2)c2ccccc12 143403443 BZBPVWMOKDPCCG-UHFFFAOYSA-N 252.273 3.847 5 1 CHBF O=C(O)c1cc2c(Nc3ccccc3)ccc([N+](=O)[O-])c2[nH]1 103244212 IYLWMBBQUBUEMF-UHFFFAOYSA-N 297.270 3.518 5 1 CHBF O=[N+]([O-])c1ccc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 586890344 ONHCILGEEHMYCE-BTIUKSQHSA-N 297.358 3.939 5 1 CHBF CC(=O)[C@@H](c1ccccc1)[C@@H](c1ccccc1)[C@@H](C)[N+](=O)[O-] 13152323 JMJGTAJCIPQMSZ-XWIAVFTESA-N 297.354 3.808 5 1 CHBF O=[N+]([O-])Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1ccccc1 587647947 VDOTZXLLDYJVBV-UHFFFAOYSA-N 297.270 3.520 5 1 CHBF c1ccc2nc3cc4[nH]c(CC5CC5)nc4cc3nc2c1 587963913 VWSSFXKKVZPKMM-UHFFFAOYSA-N 274.327 3.612 5 1 CHBF C[C@H]1CCO[C@H](c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)C1 586917064 KTOVXNKUPZDOEX-MADCSZMMSA-N 295.726 3.612 5 1 CHBF O=[N+]([O-])c1ccc2c(c1)c([N+](=O)[O-])c(O)c1ccccc12 1857546870 GWDKYNCDSWGPBJ-UHFFFAOYSA-N 284.227 3.515 5 1 CHBF Cc1nc(-c2ccccc2)c2cc([N+](=O)[O-])ccc2n1 110119 DCDZFMFVNXWRTH-UHFFFAOYSA-N 265.272 3.513 5 1 CHBF O=c1oc2ccccc2c2nc3cc(F)ccc3cc12 73199386 XKWPJVLOSUQQQO-UHFFFAOYSA-N 265.243 3.634 5 1 CHBF O=[N+]([O-])c1cc(-c2cn3cc(Cl)sc3n2)ccc1F 73139698 GUOIXIFTSABLLU-UHFFFAOYSA-N 297.698 3.764 5 1 CHBF CC[C@H](C)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587954794 CIVHGYKODGKYHS-LURJTMIESA-N 298.140 3.747 5 1 CHBF C[n+]1ccc2c3c(nc4ccccc42)-c2ccccc2-c31 1772603412 RTEWVPHRSLJLPZ-UHFFFAOYSA-N 269.327 3.860 5 1 CHBF CCCC[C@@H]1Cc2cc3c(cc2[C@@H]1[N+](C)(C)C)OCO3 40719801 PFVKZADTTKZZGV-SJKOYZFVSA-N 276.400 3.525 5 1 CHBF Cc1c(F)cc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1F 587133286 RPPRWGBNIFRHPQ-UHFFFAOYSA-N 289.241 3.725 5 1 CHBF Cc1[nH]c2cc(F)ccc2c1C(=O)c1ccc([N+](=O)[O-])cc1 587635109 DGJKCYWPTYBZBH-UHFFFAOYSA-N 298.273 3.755 5 1 CHBF COc1cccc(C)c1-c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 587786126 HSOIZGNRGQLHLL-UHFFFAOYSA-N 297.314 3.764 5 1 CHBF O=[N+]([O-])c1ccc(Nc2ccc3ccccc3n2)cc1 5280478 HMSBPHQTMVDQHH-UHFFFAOYSA-N 265.272 3.887 5 1 CHBF O=[N+]([O-])c1ccc2nc([C@H]3C[C@H]3c3cccc(F)c3)[nH]c2c1 587162257 INKQJGUHDMHVFW-STQMWFEESA-N 297.289 3.881 5 1 CHBF Cc1[nH]c2cccc(F)c2c1C(=O)c1ccc([N+](=O)[O-])cc1 587635081 DCLMPJDLLBBUGV-UHFFFAOYSA-N 298.273 3.755 5 1 CHBF O=[N+]([O-])c1ccc(-c2nc3cc4cccnc4cc3[nH]2)cc1 73224437 YCWLBFXSHZRXHT-UHFFFAOYSA-N 290.282 3.686 5 1 CHBF C[n+]1cc2ccccc2c2cc(OC(F)(F)F)ccc21 1772623213 JOSGTFXQAMZEMF-UHFFFAOYSA-N 278.253 3.716 5 1 CHBF CC[C@H](C)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587956462 RJXYOHBYLFARCS-LURJTMIESA-N 298.140 3.747 5 1 CHBF O=Cc1cn2c3c1ccc1c4ccccc4n(c13)CCC2 473154405 HDDUENAEAFHQIA-UHFFFAOYSA-N 274.323 3.965 5 1 CHBF CN(C)[C@@H]1CC=C(c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 28819416 OQPMHMPOPMZPGV-GFCCVEGCSA-N 285.347 3.574 5 1 CHBF Cc1ccc([N+](=O)[O-])c2c(C)cc(-c3ccncc3)nc12 40834076 GIHJXAFGIJOXNJ-UHFFFAOYSA-N 279.299 3.822 5 1 CHBF Cc1c(-c2cccc(N)c2)[nH]c2cc([N+](=O)[O-])ccc12 587647913 SSHMTYCOODRQAZ-UHFFFAOYSA-N 267.288 3.634 5 1 CHBF O=[N+]([O-])Cc1c(-c2ccccc2)[nH]c2cc(F)ccc12 587634907 BSRYVIBNODUGFE-UHFFFAOYSA-N 270.263 3.751 5 1 CHBF COc1ccc2c(c1)C[C@@H]1[C@@]3(CCCC[C@H]23)CC[N+]1(C)C 195380373 VECGWUSFYLNHCH-QRVBRYPASA-N 286.439 3.744 5 1 CHBF Cc1cccc(-c2c(C)[nH]c3cc([N+](=O)[O-])ccc23)n1 587648894 NSVUSDUAWGTISK-UHFFFAOYSA-N 267.288 3.755 5 1 CHBF Cn1c2c3cccc([N+](=O)[O-])c3nc-2cc2cc(F)ccc21 138269788 HKQYKAMOXOYKSU-UHFFFAOYSA-N 295.273 3.879 5 1 CHBF Cc1cc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c(C)o1 587279723 PNODVOSTSWAVII-UHFFFAOYSA-N 285.255 3.782 5 1 CHBF O=c1oc(C=Cc2ccc([N+](=O)[O-])cc2)cc2ccccc12 2356862780 PNDKYSVXWAMJRN-UHFFFAOYSA-N 293.278 3.872 5 1 CHBF Cc1ccc2c(=O)cc(-c3cccc([N+](=O)[O-])c3)oc2c1 193353 RIKMKJPGLIGDQQ-UHFFFAOYSA-N 281.267 3.677 5 1 CHBF Cc1cc([N+](=O)[O-])c(C)c2c1[nH]c1ccc(O)cc12 1633362 TUAGXPFZJDEELX-UHFFFAOYSA-N 256.261 3.552 5 1 CHBF COc1ccc2c(c1)c1c3c(cc[nH]c23)ccn1O 238742493 OBBGWGKGEGRSMV-UHFFFAOYSA-N 252.273 3.522 5 1 CHBF Cc1oc(-c2nc3c4c(ccc3[nH]2)CCCC4)cc1[N+](=O)[O-] 587269702 ZACXVBWCNGKOJP-UHFFFAOYSA-N 297.314 3.918 5 1 CHBF Cc1c(-c2nc3ccc(F)cc3[nH]2)cccc1[N+](=O)[O-] 587261024 PXINHWJNDAPBLI-UHFFFAOYSA-N 271.251 3.586 5 1 CHBF Cn1nc(-c2ccccc2)cc1-c1cccc([N+](=O)[O-])c1 29063523 NHKSPZSHWKCFDP-UHFFFAOYSA-N 279.299 3.662 5 1 CHBF CCCC(CCC)C(=O)OC1C[C@@H]2CC[C@@H](C1)[N+]2(C)C 100036834 XGGHHHBGPSNXFE-GJZGRUSLSA-N 282.448 3.516 5 1 CHBF world COc1ccccc1-c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 49088919 FTAMPEJSPZGPDU-UHFFFAOYSA-N 295.298 3.661 5 1 CHBF N[C@H]1CCC[C@H](c2cc(=O)c3ccc4ccccc4c3o2)C1 1857578945 LGISYBPZLMJKNX-KBPBESRZSA-N 293.366 3.931 5 1 CHBF CC1=CC[C@@H](c2nnc(C)o2)[C@H](c2ccc([N+](=O)[O-])cc2)C1 209446 NOUCIWSLYZNDKD-CABCVRRESA-N 299.330 3.894 5 1 CHBF O=[N+]([O-])c1cccc2nc(C3(F)CCCCC3)[nH]c12 587132510 ROSDJWKHWSBVOX-UHFFFAOYSA-N 263.272 3.600 5 1 CHBF COc1ccc2[nH]c3c4ccncc4cc(C#N)c3c2c1 217054428 PAHHKMMVQJCPJI-UHFFFAOYSA-N 273.295 3.750 5 1 CHBF O=C(O)c1cc(=O)c2ccc3sc4ccccc4c3c2[nH]1 169319932 ADELMOAEWQJLPC-UHFFFAOYSA-N 295.319 3.594 5 1 CHBF Cc1ccc(C(=Cc2ccc([N+](=O)[O-])cc2)C(=O)O)cc1 1857742040 GRTMODVOMTUGFW-UHFFFAOYSA-N 283.283 3.528 5 1 CHBF C[n+]1c2ccc(C(=O)O)cc2cc2sc3ccccc3c21 28642111 FEQVLPHSGNPJAP-UHFFFAOYSA-O 294.355 3.730 5 1 CHBF O=[N+]([O-])c1ccc(-c2c[nH]c(-c3ccccc3)n2)cc1 40876628 RCDZDLBJPAUVCN-UHFFFAOYSA-N 265.272 3.652 5 1 CHBF O=[N+]([O-])c1ccc2oc(-c3ccc(O)cc3)cc2c1 473115215 QTKSCQOTEGOTRO-UHFFFAOYSA-N 255.229 3.714 5 1 CHBF CC(C)[C@]1(C)CCCc2c1cc([N+](=O)[O-])c(F)c2[N+](=O)[O-] 103192329 PYUZJTKDPCVTDY-AWEZNQCLSA-N 296.298 3.892 5 1 CHBF O=[N+]([O-])c1ccc(-c2cncn2C2CCCCC2)cc1 1911586041 MGMKAVYIFFPIFI-UHFFFAOYSA-N 271.320 3.964 5 1 CHBF Cc1ccccc1Oc1cc(O)nc2c([N+](=O)[O-])cccc12 299869335 UKZVJRPWBLPNJO-UHFFFAOYSA-N 296.282 3.949 5 1 CHBF Cc1coc2c(O)c3oc(=O)c4ccccc4c3cc12 27213718 ICSYQSSZHFJEAD-UHFFFAOYSA-N 266.252 3.706 5 1 CHBF C[n+]1c2c(Cl)cccc2cc2[nH]c3ccccc3c21 28473117 BXNWXOWCXAYJFW-UHFFFAOYSA-O 267.739 3.952 5 1 CHBF CCCCC[C@@H](C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 6778230 RROCMCBQTUYDSD-SECBINFHSA-N 282.296 3.892 5 1 CHBF in-vivo Cc1c(O)ccc2c1ccc1cc(O)cc([C@H](C)O)c12 238788930 GTPRMEPXPKYOKK-JTQLQIEISA-N 268.312 3.766 5 1 CHBF CC1(C)C=Cc2cc(O)c3c(=O)c4ccccc4oc3c2O1 96932851 WWEMWFCLNGFTGG-UHFFFAOYSA-N 294.306 3.836 5 1 CHBF O=C(Nc1ccc2nc3ccccc3nc2c1)c1ccco1 96932239 LYKGWVIVZWWMNP-UHFFFAOYSA-N 289.294 3.628 5 1 CHBF O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2O)cc1 64485864 KVYQMQPIAUECHP-UHFFFAOYSA-N 265.652 3.746 5 1 CHBF O=[N+]([O-])c1cc2nc(C3(F)CCCCC3)[nH]c2cc1F 587131644 ARAHJUKFHBGARR-UHFFFAOYSA-N 281.262 3.739 5 1 CHBF Cc1cc(=O)cc2sc3cc(Cl)ccc3nc1-2 5809355 VNTZUMCHJBZCGI-UHFFFAOYSA-N 261.733 3.723 5 1 CHBF COc1ccc(-c2nc3cc([N+](=O)[O-])ccc3s2)cc1 66078582 BHOLRAZWUXMJHK-UHFFFAOYSA-N 286.312 3.880 5 1 CHBF C[C@]12Cc3ccccc3C[C@H](c3ccccc31)[N+]2(C)C 36011793 LLGFAFQPEWRHLZ-MOPGFXCFSA-N 264.392 3.832 5 1 CHBF O=C(O)c1cccc2nc3c(Cl)ccc(Cl)c3nc12 1857632606 AINIPYUFUTYALL-UHFFFAOYSA-N 293.109 3.788 5 1 CHBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1N1CCC[C@@H](C)C1 587648329 CNGIWYSAUCZUGQ-SNVBAGLBSA-N 273.336 3.621 5 1 CHBF Clc1ccccc1N1CC[N+]2(CCc3ccccc32)CC1 66074446 WTFLDIMSBCASOW-UHFFFAOYSA-N 299.825 3.724 5 1 CHBF CN(C)[C@H]1Cc2ccccc2[C@H](c2cccc([N+](=O)[O-])c2)C1 139457226 BNPPCWFJMXBSSK-WMZOPIPTSA-N 296.370 3.603 5 1 CHBF Cc1cc2[nH]c([C@@H]3CC=CC[C@H]3C)nc2cc1[N+](=O)[O-] 587970505 IWATYPQHKWYAPJ-MWLCHTKSSA-N 271.320 3.849 5 1 CHBF C[C@@H](O)Cc1nc2c3ccccc3c3ccccc3c2[nH]1 586889478 FSZGJPSOKVFTFS-LLVKDONJSA-N 276.339 3.793 5 1 CHBF CN1CCC[C@H]1c1cnc2cc3ccncc3cc2c1 26144826 KNSFSUWITNPURL-KRWDZBQOSA-N 263.344 3.550 5 1 CHBF CCn1ncc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C)c1C 587647407 GWGLIOFUHBUPTI-UHFFFAOYSA-N 284.319 3.576 5 1 CHBF CCSc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 40393814 JBKSYQDCCXIKGH-UHFFFAOYSA-N 296.226 3.634 5 1 CHBF CC(C)CCNc1cc(-c2cccc([N+](=O)[O-])c2)ncn1 82160630 WHULWUSTERAJCG-UHFFFAOYSA-N 286.335 3.510 5 1 CHBF C/C(=C\c1nc2cncc([N+](=O)[O-])c2[nH]1)C1CCCCC1 587966722 FZKPJWMWPRIHNQ-JXMROGBWSA-N 286.335 3.850 5 1 CHBF O=[N+]([O-])c1ccccc1Oc1ccc(Cl)cc1O 64485962 COIDXTLVJPMZNP-UHFFFAOYSA-N 265.652 3.746 5 1 CHBF Cc1cc(=O)oc2cc(O)c3c4ccccc4oc3c12 40567149 JSYOHFFQONDFEO-UHFFFAOYSA-N 266.252 3.706 5 1 CHBF C=Cc1cc(OC)cc2c(=O)oc3c(C)c(O)ccc3c12 28572295 GYTKTHIBPORIKN-UHFFFAOYSA-N 282.295 3.612 5 1 CHBF CCCCn1c(=O)c2ccccc2c2cc(O)ccc21 49070857 KMRQFUNWNKVHIW-UHFFFAOYSA-N 267.328 3.660 5 1 CHBF O=[N+]([O-])c1ccc2c(O)c(Cc3ccc(F)cc3)[nH]c2c1 587645644 GEENGWGPBORDOT-UHFFFAOYSA-N 286.262 3.512 5 1 CHBF C[n+]1c2ccc(Cl)cc2cc2[nH]c3ccccc3c21 28476576 MHAZYZZEHCFEDZ-UHFFFAOYSA-O 267.739 3.952 5 1 CHBF Cc1ccc([C@@H](c2ccc([N+](=O)[O-])cc2)n2ccnc2)cc1 28236604 DSVYPVZAPHUUAB-KRWDZBQOSA-N 293.326 3.737 5 1 CHBF O=C(O)c1c2nc3ccccc3c-2[nH]c2ccccc12 100871046 ILIWFZGLKQQZIS-UHFFFAOYSA-N 262.268 3.519 5 1 CHBF O=[N+]([O-])c1ccc2nc(C(Cl)(Cl)Cl)ccc2c1 84652709 XVMMYPXUAOJBCG-UHFFFAOYSA-N 291.521 3.970 5 1 CHBF COc1ccc2c(c1)c1c3cnccc3ccc1n2C 5161532 OHTQLXBHKUSFLB-UHFFFAOYSA-N 262.312 3.888 5 1 CHBF Cc1cc2[nH]c(C3(F)CCCCC3)nc2cc1[N+](=O)[O-] 587133191 ZTKLVZBRVMYLEE-UHFFFAOYSA-N 277.299 3.908 5 1 CHBF O=[N+]([O-])c1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 587211643 VHSYHDJNXLKODF-UHFFFAOYSA-N 276.295 3.909 5 1 CHBF O=[N+]([O-])c1cc2nc(/C=C/c3ccsc3)[nH]c2cc1F 587026081 QZSZQJBAOLZAHH-OWOJBTEDSA-N 289.291 3.842 5 1 CHBF C[N+](C)(C)/C=C/c1c[nH]c2cc(Br)ccc12 205429733 AWHASJFJHGQPOV-VOTSOKGWSA-N 280.189 3.607 5 1 CHBF O=c1cc(CN2CCCC2)c2c(ccc3ccccc32)o1 7785947 DTSAPERJQRICGP-UHFFFAOYSA-N 279.339 3.542 5 3 CHBF c1ccc2c(c1)cc([C@H]1NCCc3nc[nH]c31)c1ccccc12 1625659 CBYUYCTYGJQFGR-LJQANCHMSA-N 299.377 3.951 5 1 CHBF CCOC(=O)/C=C/c1ccc2oc3ccccc3c(=O)c2c1 15962547 KOYNZEQCHCSYBP-CSKARUKUSA-N 294.306 3.523 5 3 CHBF O=c1cc(N2CCCCC2)c2ccc3ccccc3c2o1 53295155 HKSXADVWDIXWJW-UHFFFAOYSA-N 279.339 3.937 5 1 CHBF O=[N+]([O-])c1ccc(Cl)nc1Oc1cccc2ocnc12 1857755981 DETGPHSLFBGTLY-UHFFFAOYSA-N 291.650 3.577 5 1 CHBF O=C(c1cccc(F)c1)c1coc2cc([N+](=O)[O-])ccc12 587280125 KJENNGMRKRIAAK-UHFFFAOYSA-N 285.230 3.711 5 1 CHBF CN(C)c1ccc2nc3c4ccccc4c(=N)cc-3oc2c1 136636674 DCPNUQJHDCGPJQ-UHFFFAOYSA-N 289.338 3.631 5 1 CHBF Cc1ccc(C)c(Cc2nc3cccc([N+](=O)[O-])c3[nH]2)c1 587959429 RJGOUCSRXNMMKN-UHFFFAOYSA-N 281.315 3.679 5 1 CHBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1N1CCCC[C@@H]1C 587649348 SIBULEWMSQKTDP-JTQLQIEISA-N 273.336 3.763 5 1 CHBF C[N+]1(C)CCCC[C@H]1CC(=O)c1ccc(Cl)cc1 13554227 MIOSMZUWRFRZRT-AWEZNQCLSA-N 266.792 3.542 5 1 CHBF O=[N+]([O-])c1c[nH]cc1-c1ccc(Cl)cc1Cl 6525155 WZMLJCSFWWFOPF-UHFFFAOYSA-N 257.076 3.897 5 1 CHBF [O-][n+]1c2c3cc4c(cn3ccc-2c2ccccc21)CCCC4 473109194 QQRQGCWPZBOPRW-UHFFFAOYSA-N 288.350 3.710 5 1 CHBF Cc1cccc(OCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1C 587563853 JYUXRRAXNAKSTP-UHFFFAOYSA-N 297.314 3.667 5 1 CHBF Cc1ccc2c(c1)oc(=O)c1c3cc4c(cc3oc21)OCO4 238774350 WPEXWIYRWVPINB-UHFFFAOYSA-N 294.262 3.730 5 1 CHBF O=[N+]([O-])c1ccc(SCC2CCCCC2)c2nonc12 299822368 OMZFQVHXSIWEMH-UHFFFAOYSA-N 293.348 3.803 5 1 CHBF c1ccc(-c2nnc3c(ccc4ccccc43)n2)cc1 169318595 DDOZHCQSSAAZMY-UHFFFAOYSA-N 257.296 3.845 5 1 CHBF O=[N+]([O-])c1ccsc1Sc1sccc1[N+](=O)[O-] 196280814 MFRCXZWQGBQBNX-UHFFFAOYSA-N 288.331 3.777 5 1 CHBF O=c1[nH]c(/C=C/c2ccccc2)nc2ccc3ncccc3c12 29409976 OZIMPKFBPUILOS-DHZHZOJOSA-N 299.333 3.642 5 1 CHBF Cc1ccc(/C=C/c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 45284470 RFPWGACXZFCMPI-RMKNXTFCSA-N 279.299 3.950 5 1 CHBF Nc1ccc(Sc2cc(Cl)ccc2[N+](=O)[O-])cc1 299818912 AOYCJGHOUIGGHO-UHFFFAOYSA-N 280.736 3.982 5 1 CHBF O=c1c2c3ccccc3[nH]c2c2cccc3c2n1CCC3 1636370 QFTPORFQUYPIJS-UHFFFAOYSA-N 274.323 3.582 5 1 CHBF CC(C)/N=c1\cc(O)c2ccc3ccccc3c2o1 13676978 BTSNIVIKRJKDLG-BMRADRMJSA-N 253.301 3.601 5 1 CHBF Cc1ccc(Oc2cc(O)nc3c([N+](=O)[O-])cccc23)cc1 299862656 JZTODCIXQBAJLP-UHFFFAOYSA-N 296.282 3.949 5 1 CHBF Cc1cccnc1-c1c(C)[nH]c2cc([N+](=O)[O-])ccc12 587649112 QHSVUJDZWRTYHP-UHFFFAOYSA-N 267.288 3.755 5 1 CHBF Cc1oc(-c2nc3c(C)ccc(C)c3[nH]2)cc1[N+](=O)[O-] 587269700 YZUDFGLBBGSZHT-UHFFFAOYSA-N 271.276 3.656 5 1 CHBF COc1cc2cnc3c4cccnc4ccc3c2cc1OC 49807836 PRMWCHSIEIWGID-UHFFFAOYSA-N 290.322 3.953 5 1 CHBF COc1c2ccc(C=O)cc2c(OC)c2c(O)cccc12 238778235 VLJUCDZJBABGOC-UHFFFAOYSA-N 282.295 3.528 5 1 CHBF CSc1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587644679 AHAWTFLLQAJKKN-UHFFFAOYSA-N 276.239 3.817 5 1 CHBF CN(C)c1ccc2[nH]c(=O)c3sc4ccccc4c3c2c1 103231115 RUDLPBDVUAHFKT-UHFFFAOYSA-N 294.379 3.962 5 1 CHBF CC[C@@H](C)Nc1cc(-c2ccc(C)c([N+](=O)[O-])c2)ncn1 82162444 JUYRQWHXVUMORG-LLVKDONJSA-N 286.335 3.571 5 1 CHBF c1cnc2c(c1)c1nc(CC3CC3)[nH]c1c1cccnc12 587961865 GYGGWCDDRZATLD-UHFFFAOYSA-N 274.327 3.612 5 1 CHBF Cc1ccc2c(=O)cc(-c3ccc([N+](=O)[O-])cc3)oc2c1 103217851 PPEMVWGYDQPRLX-UHFFFAOYSA-N 281.267 3.677 5 1 CHBF COC(=O)c1cc2c3ccccc3[nH]c2c2[nH]ccc12 84741409 LOUXAZYBZOGYCE-UHFFFAOYSA-N 264.284 3.589 5 1 CHBF O=[N+]([O-])c1ccc([C@H]2CN3CCC[C@H]3c3ccccc32)cc1 28090006 NEBIUZBZGRZRHR-MSOLQXFVSA-N 294.354 3.877 5 1 CHBF O=c1cc(NC[C@@H]2CCCO2)oc2c1ccc1ccccc12 13608098 USVRQGNGVBJZLK-ZDUSSCGKSA-N 295.338 3.537 5 1 CHBF COc1ccc2c(c1)[nH]c1c3ccncc3cc(C#N)c21 217045281 UVJQEKJPAVSBTA-UHFFFAOYSA-N 273.295 3.750 5 1 CHBF CCCc1c2c3ccccc3nc-2nc2ccccn12 6381513 UYZUAUHFKWVRAB-UHFFFAOYSA-N 261.328 3.940 5 1 CHBF O=[N+]([O-])c1ccc2nc(/C=C/C=C/c3ccncc3)[nH]c2c1 1857590657 QCANUIVTXUFIEK-ZPUQHVIOSA-N 292.298 3.593 5 1 CHBF CCN1CCN(c2nc3ccccc3c3ccccc23)CC1 103264608 CVGOKWFXCKYZQQ-UHFFFAOYSA-N 291.398 3.530 5 1 CHBF Cc1c2ccncc2c(C)c2c1[nH]c1ccc(CO)cc12 27195424 BLXMRBDANRAFTB-UHFFFAOYSA-N 276.339 3.978 5 1 CHBF Cc1ccc2oc(=O)c(-c3ccccc3[N+](=O)[O-])cc2c1 299826294 LNHYZJWJBZUDOM-UHFFFAOYSA-N 281.267 3.677 5 1 CHBF Cc1oc(-c2nc3cc(Cl)ccc3[nH]2)cc1[N+](=O)[O-] 587268961 OTWNWHASNRUYNQ-UHFFFAOYSA-N 277.667 3.693 5 1 CHBF C[C@H]1CC[N+]2(C)CCc3c([nH]c4ccccc34)[C@@H]2C1 72119688 GNYLBMQRZQXDNA-FTUQNNFZSA-N 255.385 3.642 5 1 CHBF Cc1c(-c2nc3ccc(F)c(C)c3[nH]2)cccc1[N+](=O)[O-] 587261135 VRUAKWSPDQAKLT-UHFFFAOYSA-N 285.278 3.894 5 1 CHBF CCCCn1c(=O)c2ccccc2c2cc(C(=O)O)ccc21 1772650297 BJPSNICEASFSBH-UHFFFAOYSA-N 295.338 3.653 5 1 CHBF CN1CCC[C@@H]1c1cnc2cc3ccncc3cc2c1 26144818 KNSFSUWITNPURL-QGZVFWFLSA-N 263.344 3.550 5 1 CHBF Cc1noc2cc3c(nc12)[nH]c1ccc(Cl)cc13 95576191 IOBRTSOVHXOCIF-UHFFFAOYSA-N 257.680 3.819 5 1 CHBF O=[N+]([O-])c1ccc2c(ccc3nc4ccccc4n32)c1 73224387 OPYOXUVTRDODDJ-UHFFFAOYSA-N 263.256 3.549 5 1 CHBF CCc1cc2c3c(cc[n+]2nc1CC)[nH]c1ccccc13 29227312 MFTRNYMHPZSJDV-UHFFFAOYSA-O 276.363 3.580 5 1 CHBF COc1ccc2nc(O)c3c4ccccc4oc3c2c1 1911586208 BLSNYJILRCNJEZ-UHFFFAOYSA-N 265.268 3.848 5 1 CHBF O=C(Cc1cccs1)c1coc2cc([N+](=O)[O-])ccc12 587280360 UWEQIUKSZIUOON-UHFFFAOYSA-N 287.296 3.828 5 1 CHBF Cc1ccc2oc(-c3ccccc3[N+](=O)[O-])nc2c1 6523004 KJMNQEXVUNOESP-UHFFFAOYSA-N 254.245 3.711 5 1 CHBF O=C(Nc1cc2ccccc2s1)c1ccc([N+](=O)[O-])o1 1857589787 ROGOOCVTUYFJNG-UHFFFAOYSA-N 288.284 3.655 5 1 CHBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1N1CCC[C@@H](C)C1 587648492 FXEQGJSOUCMDNA-SNVBAGLBSA-N 273.336 3.621 5 1 CHBF C[N+]1(CCC(=O)c2ccccc2)CC[C@H]2CC[C@H](C2)C1 1615819 CRFHUZSZRWPLEA-QNRNLVPOSA-N 272.412 3.526 5 1 CHBF COc1ccc2c(c1)C[C@@H]1[C@]3(CCCC[C@H]23)CC[N+]1(C)C 195380363 VECGWUSFYLNHCH-GUDVDZBRSA-N 286.439 3.744 5 1 CHBF O=c1[nH]c2ccc([N+](=O)[O-])cc2c2c1sc1ccccc12 103238211 ZXYZYEGIRRSMBT-UHFFFAOYSA-N 296.307 3.804 5 1 CHBF O=[N+]([O-])c1cccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3)[nH]c12 587162863 MCVISORSBJMVDJ-VXGBXAGGSA-N 297.289 3.881 5 1 CHBF CCCC/C=C/C=C/C=C/[C@@H]1CC[C@@H](O)[C@H](C)[N+]1(C)[O-] 95590787 LZZRCKFXUQNNGN-HXHJOQRJSA-N 279.424 3.701 5 1 CHBF O=[N+]([O-])c1ccc2oc(-c3ccc(CO)cc3)cc2c1 473117562 ZPCKWOKIDUIYLG-UHFFFAOYSA-N 269.256 3.500 5 1 CHBF O=c1ccc2nc3cc(Br)ccc3sc-2c1 5809351 UIAFEZIAARMPOQ-UHFFFAOYSA-N 292.157 3.524 5 1 CHBF C[n+]1c2ccccc2c(Cl)c2[nH]c3ccccc3c21 13555488 ADGRFUSPRPIXEG-UHFFFAOYSA-O 267.739 3.952 5 1 CHBF O=[N+]([O-])c1ccc2nc(/C=C/C=C/c3ccccn3)[nH]c2c1 1857600359 HDODJKHITNBEQP-OXAVVNGUSA-N 292.298 3.593 5 1 CHBF Cn1c2c3ccccc3nc-2cc2cc(F)ccc21 136475053 OAMMLMHCYGFVMP-UHFFFAOYSA-N 250.276 3.970 5 1 CHBF CC(=O)Nc1ccc2[nH]c3ccnc4cccc(c2c1)c43 35940847 ASRKQPYAYWQISX-UHFFFAOYSA-N 275.311 3.828 5 1 CHBF O=[N+]([O-])c1cccc(-c2cc3cc(O)ccc3o2)c1 473113617 JQSQVHOCKPMVBW-UHFFFAOYSA-N 255.229 3.714 5 1 CHBF O=C(c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12)C1CC1 587645363 SCGYSJAXWSNPHE-UHFFFAOYSA-N 298.220 3.688 5 1 CHBF CC(=O)c1ccc2nc(-c3cccc([N+](=O)[O-])c3C)[nH]c2c1 587261225 ZLCSMWFLGGQMPJ-UHFFFAOYSA-N 295.298 3.649 5 1 CHBF Cc1c(F)ccc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c12 587160214 MFDJHDNLJHANIA-UHFFFAOYSA-N 289.241 3.725 5 1 CHBF O=[N+]([O-])c1ccc2c3c1[C@H]1O[C@H]1c1cccc(c1-3)[C@@H]1O[C@H]21 6009846 PSJVYDKXINWURE-XUWVNRHRSA-N 279.251 3.514 5 1 CHBF CC1(C)CCc2c(cc(O)c3oc4ccccc4c(=O)c23)O1 13407842 FCPDVYLYBDYRQM-UHFFFAOYSA-N 296.322 3.755 5 1 CHBF CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc([N+](=O)[O-])c2)C1 139457349 BNPPCWFJMXBSSK-SJLPKXTDSA-N 296.370 3.603 5 1 CHBF Cc1ccccc1C(C)(C)c1nc2cc([N+](=O)[O-])cnc2[nH]1 587954617 BYCUVZYCWTXUDV-UHFFFAOYSA-N 296.330 3.500 5 1 CHBF COc1ccc2[nH]c3c(C)c4ccnc(C=O)c4cc3c2c1 27551300 IRAWFJNKIQYLEW-UHFFFAOYSA-N 290.322 3.999 5 1 CHBF Cn1c2c3cc([N+](=O)[O-])ccc3nc-2cc2ccccc21 59335027 HXRGYKPTKACJDO-UHFFFAOYSA-N 277.283 3.740 5 1 CHBF O=[N+]([O-])c1cccc(COc2ccc([C@@H](O)C3CC3)cc2)c1 66251402 CIKWKCMDJHCXKF-KRWDZBQOSA-N 299.326 3.617 5 1 CHBF c1ccc2cc3c(NC4=NCCO4)cccc3cc2c1 1639221 DYWYQTOLSPOWGU-UHFFFAOYSA-N 262.312 3.791 5 1 CHBF CC[C@H](C)CC(=O)c1coc2cc([N+](=O)[O-])ccc12 587278964 CDCDTYKJQDAYMB-VIFPVBQESA-N 261.277 3.960 5 1 CHBF CN(C)CCc1cc2c(c3c1ccc1ccccc13)OCO2 187287 FXTBDJZGDJJCQU-UHFFFAOYSA-N 293.366 3.826 5 3 CHBF biogenic,in-vitro CCOc1ccc2[nH]c3cc(N)ccc3c3nccc1c23 43019533 VMKDPGNBYLZKKQ-UHFFFAOYSA-N 277.327 3.850 5 1 CHBF O=C(O)C(=Cc1ccc([N+](=O)[O-])cc1)CCc1ccccc1 1857623048 PWGUASFROBOVCP-UHFFFAOYSA-N 297.310 3.696 5 1 CHBF O=C(c1coc2cc([N+](=O)[O-])ccc12)[C@H]1C[C@H]2CC[C@H]1C2 587279792 AWAHOWUXJPZQJX-KWBADKCTSA-N 285.299 3.960 5 1 CHBF CC1(C)CCc2cc3oc4ccccc4c(=O)c3c(O)c2O1 96932843 GIFMZEFTVVYDLL-UHFFFAOYSA-N 296.322 3.755 5 1 CHBF O=[N+]([O-])c1cc2nc(C3=CCCC3)[nH]c2cc1Cl 586883072 GGTVSNFYTXBGQQ-UHFFFAOYSA-N 263.684 3.692 5 1 CHBF O=[N+]([O-])c1cccc2nc(/C=C\c3ccsc3)[nH]c12 587025556 LAPKZYUCYYVZAY-PLNGDYQASA-N 271.301 3.703 5 1 CHBF O=c1cc(N2CCCC2)oc2c1ccc1ccccc12 13608068 CYNBNMZZLAYOIM-UHFFFAOYSA-N 265.312 3.546 5 1 CHBF in-vivo Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1ccccc1F 587646034 QUCRRZVSJCHSNG-UHFFFAOYSA-N 298.273 3.755 5 1 CHBF O=[N+]([O-])c1ccc(-c2[nH]c3cc(F)ccc3c2O)cc1 587634869 ABKJVQXXFKPDKJ-UHFFFAOYSA-N 272.235 3.588 5 1 CHBF Cc1c(CC[C@H](C)[N+](=O)[O-])[nH]c2ccc(F)c(Cl)c12 587631137 HOFRQYOKPCSUSH-ZETCQYMHSA-N 284.718 3.867 5 1 CHBF O=Nc1c2ccccc2n2c(O)c3ccccc3nc12 26382107 KCJXTVCDNZPNLT-UHFFFAOYSA-N 263.256 3.744 5 1 CHBF CC(C)(C)c1[nH]c2cc([N+](=O)[O-])ccc2c1-n1cccn1 587647782 PQJKAQJDLYPCJZ-UHFFFAOYSA-N 284.319 3.559 5 1 CHBF Cc1cc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2cc1C 587269778 GQFIQMXODKNHPD-UHFFFAOYSA-N 295.342 3.873 5 1 CHBF C[C@@H]1C[C@@]12c1ccc3c(ccc4ccc(O)cc43)c1C[C@H]2O 2356563881 PRRJPKJJZIGPIA-LAOHPYGUSA-N 290.362 3.893 5 1 CHBF CC[C@H](C)Oc1oc(=O)c2cc([N+](=O)[O-])ccc2c1Cl 95592530 ZYAHDCWKWBXTKS-ZETCQYMHSA-N 297.694 3.532 5 1 CHBF O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2C=CCCCC[C@H]21 5027839 ZPANZFWPFCWZHP-ZNMIVQPWSA-N 286.331 3.526 5 1 CHBF Cc1ccc2oc(=O)c3cc4c(nc3c2c1)CCCC4 103272130 VAPADQYBANFREN-UHFFFAOYSA-N 265.312 3.528 5 1 CHBF C=Cn1nc2c3ccccc3n(C)c3c([N+](=O)[O-])ccc1c23 27181729 RBRWLQINYPQXGH-UHFFFAOYSA-N 292.298 3.690 5 1 CHBF Cc1cc2[nH]c(-c3ccc(F)c(F)c3)nc2cc1[N+](=O)[O-] 587145626 MBALLJBCHNMJMP-UHFFFAOYSA-N 289.241 3.725 5 1 CHBF Nc1nc2ccc(OC(F)(F)F)cc2c2ccccc12 169350051 XWCSZCRBGGOVRU-UHFFFAOYSA-N 278.233 3.869 5 1 CHBF CC(C)=CCOc1ccc2c(=O)c3ccccc3oc2c1O 103220305 LEJDIPMLLAUCFE-UHFFFAOYSA-N 296.322 3.997 5 1 CHBF Cc1cc(Br)cc2nc3ccccc3nc12 72107634 GLEJNKZUJXQPDR-UHFFFAOYSA-N 273.133 3.854 5 1 CHBF COc1ccc2ccc3cc(O)c(OC)cc3c2c1 238736974 HAPQIYBQMTXCDP-UHFFFAOYSA-N 254.285 3.716 5 1 CHBF Nc1ccc(Sc2ccc([N+](=O)[O-])c(Cl)c2)cc1 299818548 AARSJNGVCQWNOS-UHFFFAOYSA-N 280.736 3.982 5 1 CHBF Cc1ccccc1C(C)(C)c1nc2cncc([N+](=O)[O-])c2[nH]1 587955280 MLHFPILRXTZMFS-UHFFFAOYSA-N 296.330 3.500 5 1 CHBF O=[N+]([O-])c1cccc(C2=NO[C@@H](C3CCCCC3)C2)c1 6511841 LIDYDCSVBDFIMT-OAHLLOKOSA-N 274.320 3.668 5 1 CHBF COc1ccc2c(ccc3cc(OC)c(O)c(OC)c32)c1 28971876 PPSSKXJCNJHWMI-UHFFFAOYSA-N 284.311 3.724 5 1 CHBF CC[C@@H](C)CC(=O)c1coc2cc([N+](=O)[O-])ccc12 587278963 CDCDTYKJQDAYMB-SECBINFHSA-N 261.277 3.960 5 1 CHBF COc1cccc2cc3nc4ccccc4c-3n(C)c12 203864307 GKVINXMTHBKXGU-UHFFFAOYSA-N 262.312 3.840 5 1 CHBF CC1=Nc2ccccc2/C1=C/NNc1ccccc1[N+](=O)[O-] 104035033 WVGBZWHCYNNWQY-JLHYYAGUSA-N 294.314 3.658 5 3 CHBF Cc1c(-c2nc3ccc(F)c(F)c3[nH]2)cccc1[N+](=O)[O-] 587261100 TWYPAMUPRGKKOW-UHFFFAOYSA-N 289.241 3.725 5 1 CHBF C[N+]1(C)CCCC[C@@H]1CC(=O)c1ccc(Cl)cc1 13554226 MIOSMZUWRFRZRT-CQSZACIVSA-N 266.792 3.542 5 1 CHBF Nc1cc([N+](=O)[O-])c2cc(-c3ccccc3)oc2c1 72112990 WESPOYZDAXPQCN-UHFFFAOYSA-N 254.245 3.590 5 1 CHBF CC(C)(C)c1[nH]c2cccc([N+](=O)[O-])c2c1-n1cccn1 587648011 YFSJCSDCLMSCOB-UHFFFAOYSA-N 284.319 3.559 5 1 CHBF Cc1cc(O)c(C)c(Sc2ccc([N+](=O)[O-])cc2)c1O 1772577761 NCRSQNFLBWMJBI-UHFFFAOYSA-N 291.328 3.774 5 1 CHBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3ccccc3[nH]2)c1F 587139571 KENZLSCBHMZNQY-UHFFFAOYSA-N 291.669 3.931 5 1 CHBF O=[N+]([O-])c1cccc2nc([C@@H]3C[C@H]3c3cccc(F)c3)[nH]c12 587162857 MCVISORSBJMVDJ-NWDGAFQWSA-N 297.289 3.881 5 1 CHBF O=[N+]([O-])c1cccc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c12 586888383 ITDWCLZIGNSMGB-PXDYOCJYSA-N 297.358 3.939 5 1 CHBF Cc1c(-c2ccc([N+](=O)[O-])cc2)c(=O)oc2ccccc12 53298785 JVGFTSMVTATEBH-UHFFFAOYSA-N 281.267 3.677 5 1 CHBF O=[N+]([O-])c1cccc2c(Oc3ccccc3)cc(O)nc12 299869502 UUJVELHSXMPWSK-UHFFFAOYSA-N 282.255 3.641 5 1 CHBF Cc1cccc2c(=O)[nH]c3cc(C(F)(F)F)c(N)cc3c12 29413118 YLLSINQKXQIDCU-UHFFFAOYSA-N 292.260 3.591 5 1 CHBF Cc1c(-c2cccc([N+](=O)[O-])c2)[nH]c2cccc([N+](=O)[O-])c12 587647312 FQXKALLHWPXRTP-UHFFFAOYSA-N 297.270 3.960 5 1 CHBF CCOC(=O)c1cc2ccc3c4ccccc4[nH]c3c2[nH]1 29136301 CKLNENIFGSFRTI-UHFFFAOYSA-N 278.311 3.979 5 1 CHBF Cc1cc2nc(-c3ccc(CN=O)cc3)[nH]c2cc1[N+](=O)[O-] 587189598 CGKPSBJMAMXILJ-UHFFFAOYSA-N 296.286 3.713 5 1 CHBF COc1ccc2c(c1)c1c3ccncc3ccc1n2C 5161531 SMMYGTMKVDKSLQ-UHFFFAOYSA-N 262.312 3.888 5 1 CHBF CCC(=O)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587645371 SKRJOQUEVGIZOE-UHFFFAOYSA-N 286.209 3.688 5 1 CHBF Cc1ccc2c(c1)O[C@@H](c1cccc([N+](=O)[O-])c1)CC2=O 75285976 OBTAQMIHVVJLBD-OAHLLOKOSA-N 283.283 3.610 5 1 CHBF C=Cc1cccc2c3cc4c(cc3c(=O)n(CC)c12)OCO4 53243309 QZFXRQOTEDLEAB-UHFFFAOYSA-N 293.322 3.546 5 1 CHBF Nc1cccc2ccc3ncc(-c4ccccc4)cc3c(=O)c12 34842026 QGLVHCTZJWXHQT-UHFFFAOYSA-N 298.345 3.997 5 1 CHBF Cc1cc(C)c2nc(-c3cc([N+](=O)[O-])c(C)o3)[nH]c2c1 587268535 CMHKEONSDLRZQO-UHFFFAOYSA-N 271.276 3.656 5 1 CHBF CCCC/C=C/C=C/C=C/[C@@H]1CC[C@H](O)[C@H](C)[N@@+]1(C)[O-] 255231112 LZZRCKFXUQNNGN-QARZIOGCSA-N 279.424 3.701 5 1 CHBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1CCC(F)(F)F 587646237 LYCDKISCTUVBOH-UHFFFAOYSA-N 272.226 3.879 5 1 CHBF CC1(C)CCC(Cc2nc3cncc([N+](=O)[O-])c3[nH]2)CC1 587961101 POUASFHRQOGKAA-UHFFFAOYSA-N 288.351 3.625 5 1 CHBF CC1(C)C[C@@H]2C[C@@](C)(CN2Cc2cccc([N+](=O)[O-])c2)C1 214312 GQOSNBDGQBEHJN-NVXWUHKLSA-N 288.391 3.995 5 1 CHBF CC1(C)CCc2c(cc(O)c3c(=O)c4ccccc4oc23)O1 28650410 NIYOFKHNJSNYPA-UHFFFAOYSA-N 296.322 3.755 5 1 CHBF C[n+]1c2ccccc2cc2[nH]c3c(Cl)cccc3c21 66157526 YTXFXBZXGDIVGL-UHFFFAOYSA-O 267.739 3.952 5 1 CHBF Cc1cc2[nH]c(-c3occ4c3CCC4)nc2cc1[N+](=O)[O-] 586905468 QADZVAIXWPPGEB-UHFFFAOYSA-N 283.287 3.528 5 1 CHBF CCc1[nH]c2cc(Cl)c(F)cc2c1C[C@@H](C)[N+](=O)[O-] 587631120 HCPIUEBJSOPXMP-SSDOTTSWSA-N 284.718 3.731 5 1 CHBF O=[N+]([O-])c1ccc([C@@H]2SCc3nc4ccccc4n32)cc1 12942539 GPJQAAFNSXDREJ-HNNXBMFYSA-N 297.339 3.738 5 1 CHBF CC1(C)C=Cc2c(cc3c(=O)c4ccccc4oc3c2O)O1 96932846 PDMOSLIHIMBXHC-UHFFFAOYSA-N 294.306 3.836 5 1 CHBF Cc1ccc(-c2cc(O)nc3c([N+](=O)[O-])cccc23)cc1 299861076 HRRIVLZZTNFINE-UHFFFAOYSA-N 280.283 3.824 5 1 CHBF O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2/C=C/CCCC[C@@H]12 136692746 ZPANZFWPFCWZHP-TVGHIAMMSA-N 286.331 3.526 5 1 CHBF CC1(C)CCc2cc3c(=O)c4ccccc4oc3c(O)c2O1 96928339 MLFQPQKMYSPJGK-UHFFFAOYSA-N 296.322 3.755 5 1 CHBF O=[N+]([O-])c1cc2cn[nH]c2c2c(-c3ccccc3)c[nH]c12 96258218 IMXNSLXJEYDPGL-UHFFFAOYSA-N 278.271 3.619 5 1 CHBF CCCCn1c(CCC)nc2cc([N+](=O)[O-])ccc21 1772631779 OIIQNWJLNHMJQI-UHFFFAOYSA-N 261.325 3.697 5 1 CHBF O=[N+]([O-])c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)cc2c1 34150024 FFBILAUZHAYIJA-UHFFFAOYSA-N 283.243 3.651 5 1 CHBF COc1ccc2c(ccc3cc(O)c(OC)cc32)c1 14651000 UCVNCEXOYIMYFV-UHFFFAOYSA-N 254.285 3.716 5 1 CHBF biogenic,in-vitro O=[N+]([O-])c1ccc(/C=C/c2cccc([N+](=O)[O-])c2)cc1 6092536 WMOGPQFWQAXCTI-SNAWJCMRSA-N 270.244 3.673 5 1 CHBF in-vivo CNC(=O)/C=C/c1c2ccccc2cc2ccccc12 103228262 QBZGFOKADVOYDI-ZHACJKMWSA-N 261.324 3.752 5 1 CHBF O=C(c1c(C(F)F)[nH]c2cccc([N+](=O)[O-])c12)C1CC1 587645970 HPGVGCJEGIXALB-UHFFFAOYSA-N 280.230 3.606 5 1 CHBF C[C@@H]1CC=CC[C@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1 587971138 UQOMWJYJLPLYHS-NXEZZACHSA-N 257.293 3.541 5 1 CHBF O=[N+]([O-])c1cccc(Nc2ccc3ccccc3n2)c1 13236411 MPEBSMBCQILRBM-UHFFFAOYSA-N 265.272 3.887 5 1 CHBF Cc1cc(F)c2[nH]c(-c3cc(F)cc([N+](=O)[O-])c3)nc2c1 587160276 PAZFINQDHXOXKL-UHFFFAOYSA-N 289.241 3.725 5 1 CHBF CCCCN(CCCC)c1nc2ccccn2c1[N+](=O)[O-] 103221808 IGEQDBROWAEMNY-UHFFFAOYSA-N 290.367 3.649 5 1 CHBF O=c1oc2ccc(F)cc2cc1-c1ccc([N+](=O)[O-])cc1 71316588 KGTQXTMQYYGMCT-UHFFFAOYSA-N 285.230 3.507 5 1 CHBF C[N@@+]1(CCC(=O)c2ccccc2)CC[C@H]2CC[C@@H](C2)C1 254127900 CRFHUZSZRWPLEA-GJYPPUQNSA-N 272.412 3.526 5 1 CHBF Cc1cc2c3c4ccccc4nc-3cc(C)n2nc1C 377819919 FFMNIHWZXCAXHL-UHFFFAOYSA-N 261.328 3.913 5 1 CHBF Nc1cccc(Sc2ccc([N+](=O)[O-])cc2Cl)c1 299828026 GOXKMBAISGUMKE-UHFFFAOYSA-N 280.736 3.982 5 1 CHBF CCNC[C@H](O)c1cc2ccccc2c2ccccc12 169326436 ZHYWXNYHUMASOT-SFHVURJKSA-N 265.356 3.636 5 1 CHBF Cn1c(-c2cc(Cl)ccc2[N+](=O)[O-])nc2ccccc21 71297054 DJTVJQYFAYQDSA-UHFFFAOYSA-N 287.706 3.802 5 1 CHBF O=c1cc([C@@H]2CCC[C@@H](O)C2)oc2c1ccc1ccccc12 1857565300 SLWFKIMWSNPYPZ-ZIAGYGMSSA-N 294.350 3.965 5 1 CHBF Nc1ccnc2c(Cl)c(Cl)c3ncccc3c12 28713567 KNVXJZBXEIBGOE-UHFFFAOYSA-N 264.115 3.672 5 1 CHBF CC1(C)CCc2c(cc3oc4ccccc4c(=O)c3c2O)O1 28650412 WJVAAIKKVCXFJE-UHFFFAOYSA-N 296.322 3.755 5 1 CHBF CCCc1nnc2sc3cc4c(C)cccc4c-3nn12 72142400 IIJPFRNIZOCKJA-UHFFFAOYSA-N 282.372 3.705 5 1 CHBF O=[N+]([O-])c1ccc2nc(C3(F)CCCCC3)[nH]c2c1 587132558 SJVRNNJAPOWCJQ-UHFFFAOYSA-N 263.272 3.600 5 1 CHBF Cc1[nH]c2c(C)cc(Cl)cc2c1-n1cc([N+](=O)[O-])cn1 587626997 LJBPQKLWHNOYCY-UHFFFAOYSA-N 290.710 3.532 5 1 CHBF CN1O[C@H](CO)C[C@@H]1c1c2ccccc2cc2ccccc12 28566909 VFLVQRHVLUXZGM-MAUKXSAKSA-N 293.366 3.662 5 1 CHBF CCc1[nH]c2cc(Cl)c(F)cc2c1C[C@H](C)[N+](=O)[O-] 587631121 HCPIUEBJSOPXMP-ZETCQYMHSA-N 284.718 3.731 5 1 CHBF Cc1c(-c2cc([N+](=O)[O-])ccc2O)[nH]c2cccc(F)c12 587636320 WAMCKPXFPCLCLJ-UHFFFAOYSA-N 286.262 3.896 5 1 CHBF CCCC/C=C\c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 587965561 MZTOXCHZALVSKB-SREVYHEPSA-N 259.309 3.983 5 1 CHBF O=[N+]([O-])c1ccc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 586890347 ONHCILGEEHMYCE-ORMQQPANSA-N 297.358 3.939 5 1 CHBF Cc1cccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c1 587279708 PAOGKHYLPSMYRS-UHFFFAOYSA-N 281.267 3.880 5 1 CHBF O=[N+]([O-])c1ccc(-c2[nH]c3cccc(F)c3c2O)cc1 587636133 RMPGUODETWDRES-UHFFFAOYSA-N 272.235 3.588 5 1 CHBF c1ccc2c(c1)cc([C@@H]1NCCc3nc[nH]c31)c1ccccc12 5723387 CBYUYCTYGJQFGR-IBGZPJMESA-N 299.377 3.951 5 1 CHBF CC1=CC[C@@H](c2nnc(C)o2)[C@@H](c2ccc([N+](=O)[O-])cc2)C1 209450 NOUCIWSLYZNDKD-HUUCEWRRSA-N 299.330 3.894 5 1 CHBF O=C(c1ccccc1[N+](=O)[O-])c1coc2ccccc12 587280617 NFRWXIDDMHYLJT-UHFFFAOYSA-N 267.240 3.572 5 1 CHBF COc1ccc(-c2nc3ccc([N+](=O)[O-])cc3s2)cc1 66075882 ZEJYOPOTUVODLN-UHFFFAOYSA-N 286.312 3.880 5 1 CHBF Cc1ccc(C)c2[nH]c(-c3cc(F)cc([N+](=O)[O-])c3)nc12 587160263 OKMSFFHRKBATDG-UHFFFAOYSA-N 285.278 3.894 5 1 CHBF COc1cc([N+](=O)[O-])cc2c1cc(-c1ccccc1)n2C 72113792 WGLJHKIKTMMYCF-UHFFFAOYSA-N 282.299 3.762 5 1 CHBF O=[N+]([O-])c1cccc(-c2cnc(NC3CCCCC3)[nH]2)c1 72113328 HRTDBBFNZHSDFB-UHFFFAOYSA-N 286.335 3.730 5 1 CHBF O=[N+]([O-])c1ccccc1CN1[CH]C=CC=C1c1ccccn1 2356864935 LEKAZYXFRIOEQN-UHFFFAOYSA-N 292.318 3.564 5 1 CHBF CCc1ccc2[nH]c(-c3cc([N+](=O)[O-])c(C)o3)nc2c1 587269007 PHYATEWHIFNVKM-UHFFFAOYSA-N 271.276 3.602 5 1 CHBF O=[N+]([O-])c1ccc(Cc2nc3cc(Cl)ccc3o2)cc1 28814960 JIVGSIMLSHYCIV-UHFFFAOYSA-N 288.690 3.980 5 1 CHBF CNCCc1cc(OC)c(OC)c2c1ccc1ccccc12 13374021 BRMNMGRFCCRFNA-UHFFFAOYSA-N 295.382 3.772 5 1 CHBF C[C@H](O)Cc1nc2c3ccccc3c3ccccc3c2[nH]1 586889485 FSZGJPSOKVFTFS-NSHDSACASA-N 276.339 3.793 5 1 CHBF Cc1c2ccn(CCN)cc2c(C)c2c1nc1ccccc12 1772627306 DSFOKKSSGVFFRD-UHFFFAOYSA-N 289.382 3.918 5 1 CHBF COc1c2c(cc3cc(O)c4c(=O)cc(C)oc4c13)CC=C2 2356519255 UFLHNXGIJRFCEP-UHFFFAOYSA-N 294.306 3.538 5 1 CHBF O=[N+]([O-])c1cccc(Cn2cnc(-c3ccsc3)c2)c1 14946209 UNSOKCLOXGBFRH-UHFFFAOYSA-N 285.328 3.568 5 1 CHBF CCCCOc1oc(=O)c2cc([N+](=O)[O-])ccc2c1Cl 95590929 RLEFHHOTSHNZMP-UHFFFAOYSA-N 297.694 3.534 5 1 CHBF O=c1cc([C@H]2CC[C@H](O)CC2)oc2c1ccc1ccccc12 1857596066 RGHRTLYJUVLEBU-HDJSIYSDSA-N 294.350 3.965 5 1 CHBF COc1cc(Br)cc2nc3ccccc3nc12 72108543 NBYICNJIRHYVFV-UHFFFAOYSA-N 289.132 3.554 5 1 CHBF C/C=C1/C[N@+]2(C)CCc3c([nH]c4ccccc34)C[C@H]1CC2 1772646135 NPDGGBMJYOFNHK-BBVABDQRSA-N 281.423 3.679 5 1 CHBF CCCc1c(O)c2cccc(Cl)c2[n+]2ccccc12 13559481 LCUDXCJVEVMHBM-UHFFFAOYSA-O 272.755 3.890 5 1 CHBF O=C(CNC1CC1)Nc1c2ccccc2cc2ccccc12 169326460 NXQOSBHNHXIFEU-UHFFFAOYSA-N 290.366 3.684 5 1 CHBF Cc1cc(C)cc(OCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 587563948 CWSGSORTSFFLCX-UHFFFAOYSA-N 297.314 3.667 5 1 CHBF O=C(COc1ccccc1[N+](=O)[O-])c1coc2ccccc12 314613318 VISAIRGLIJCZQZ-UHFFFAOYSA-N 297.266 3.603 5 1 CHBF COc1ccc2[nH]c3c(C)cc([N+](=O)[O-])c(C)c3c2c1 1633042 VBEOXLVPNMQASP-UHFFFAOYSA-N 270.288 3.855 5 1 CHBF CCc1cc(OC)cc2c(=O)oc3c(C)c(O)ccc3c12 28570967 RENXKFQJFVGQMB-UHFFFAOYSA-N 284.311 3.531 5 1 CHBF Cc1cccnc1-c1c(C)[nH]c2cccc([N+](=O)[O-])c12 587649484 VTJLASBPAXPNEK-UHFFFAOYSA-N 267.288 3.755 5 1 CHBF CC1(C)C=C(c2ccc([N+](=O)[O-])cc2)c2ccc(O)cc2O1 169330233 HLKDBQQENBRNNK-UHFFFAOYSA-N 297.310 3.903 5 1 CHBF Cc1cc2c3cc(O)ccc3nc2c2cn(C)ccc12 377416618 RCIJCCCPIPJFQG-UHFFFAOYSA-N 262.312 3.894 5 1 CHBF O=N[CH-]c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 169690700 BYCSKIGBAAAGKL-UHFFFAOYSA-N 275.215 3.802 5 1 CHBF O=[N+]([O-])c1ccc2[nH]c([C@@H]3Cc4ccccc4S3)nc2c1 314961052 PQCLBEKBZUOREM-AWEZNQCLSA-N 297.339 3.861 5 1 CHBF O=C(Cc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 40848264 RNTLTKJIOKKSGA-UHFFFAOYSA-N 275.691 3.674 5 1 CHBF in-vivo C[N+](C)(C)[C@H]1Cc2ccccc2[C@@H](c2ccccc2)C1 26818483 DDJVCQZXVDKEPP-PKOBYXMFSA-N 266.408 3.840 5 1 CHBF N=C(N)SCc1c2ccccc2nc2ccccc12 653718358 PPPSIXVSRUKBRN-UHFFFAOYSA-N 267.357 3.515 5 1 CHBF [O-][N+](CCc1c[nH]c2ccccc12)(CC1CC1)CC1CC1 71331111 GYLOIKCPKFNDPM-UHFFFAOYSA-N 284.403 3.845 5 1 CHBF O=C(O)c1ccc(-c2ccc([N+](=O)[O-])c(Cl)c2)cc1 13606290 JWUOGATXWQORKJ-UHFFFAOYSA-N 277.663 3.613 5 1 CHBF Cc1oc(-c2nc3c(Cl)cccc3[nH]2)cc1[N+](=O)[O-] 587269180 RXDPRGIYPCVEQG-UHFFFAOYSA-N 277.667 3.693 5 1 CHBF O=[N+]([O-])c1cccc(-c2[nH]c3cc(F)ccc3c2O)c1 587636334 WRDIHAYFIWATRJ-UHFFFAOYSA-N 272.235 3.588 5 1 CHBF COc1ccc2cc3c4ccccc4nc-3n(C)c2c1 13475334 VKIJNAAQJUFECL-UHFFFAOYSA-N 262.312 3.840 5 1 CHBF COc1cc2oc3ccc(Cl)cc3c(=O)c2cc1OC 73166591 XNKHBELZJXAXOZ-UHFFFAOYSA-N 290.702 3.617 5 1 CHBF Cc1c(-c2ccc(F)cc2O)[nH]c2cccc([N+](=O)[O-])c12 587645404 AIILPAKNZZUCTP-UHFFFAOYSA-N 286.262 3.896 5 1 CHBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1ccc(F)cc1 587645573 DAPVTAZYERIZGQ-UHFFFAOYSA-N 298.273 3.755 5 1 CHBF C[N+]1(C)CCCC[C@H]1CCC(=O)c1ccc(Cl)cc1 13554229 NGWBQTMXONMERN-HNNXBMFYSA-N 280.819 3.932 5 1 CHBF O=[N+]([O-])c1ccc2c(c1)C=C[C@@H](c1ccccc1)O2 68247250 RCKFRUGOMZMJAI-AWEZNQCLSA-N 253.257 3.742 5 1 CHBF Cc1c/c(=N\c2ccc([N+](=O)[O-])cc2)oc2cc(O)ccc12 98082215 WEZWDHWREZGWKE-WUKNDPDISA-N 296.282 3.587 5 1 CHBF CCn1cc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C)c(C)n1 587647915 SYBFUQOWXDLSBW-UHFFFAOYSA-N 284.319 3.576 5 1 CHBF c1ccc2c(c1)[nH]c1c[nH]c3c4ccncc4nc-3c12 100640708 FUTRDVKMGNYUPP-UHFFFAOYSA-N 258.284 3.697 5 1 CHBF Cc1cscc1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587280753 XIPMJXQZIORGOE-UHFFFAOYSA-N 287.296 3.942 5 1 CHBF O=C(c1ccc(F)cc1[N+](=O)[O-])c1coc2ccccc12 587280845 CKCGUCXTIRZXMU-UHFFFAOYSA-N 285.230 3.711 5 1 CHBF COc1cc2ccc3cc(O)ccc3c2cc1OC 14650998 MXKHHHIAZOCPEQ-UHFFFAOYSA-N 254.285 3.716 5 1 CHBF C/C(=C\CO)CC/C=C(\C)CNc1ccc([N+](=O)[O-])cc1 33917566 VFTGLKIJFDTNHS-NCLYQNMFSA-N 290.363 3.672 5 1 CHBF O=[N+]([O-])c1cccc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c12 587960302 KTASSHACWOXRCH-STQMWFEESA-N 293.326 3.817 5 1 CHBF O=C(c1ccccc1)n1cc(/C=C/[N+](=O)[O-])c2ccccc21 1620274 ZVRNPVWKMUSAJX-ZHACJKMWSA-N 292.294 3.577 5 1 CHBF c1cc2c(ccc3c4cc5c(cc4cnc23)OCO5)cn1 36429171 JLGXWACDORIROG-UHFFFAOYSA-N 274.279 3.665 5 1 CHBF Cc1ccsc1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587280063 HZROWOSFNIDXJK-UHFFFAOYSA-N 287.296 3.942 5 1 CHBF O=C1Nc2ccccc2/C1=C\C=C\c1ccc([N+](=O)[O-])cc1 474603556 CPNUDRZQULAFCT-HPZPYXEMSA-N 292.294 3.644 5 1 CHBF Cc1oc(-c2nc3c(ccc4ncccc43)[nH]2)cc1[N+](=O)[O-] 587268918 NFKAGGDRLHWNBE-UHFFFAOYSA-N 294.270 3.588 5 1 CHBF CC[C@H](C)c1nc2c(OC)cc3ccnc4ccn1c2c34 2356799517 UNRPNMKWWQSSHK-JTQLQIEISA-N 279.343 3.996 5 1 CHBF Nc1ccc(Sc2ccc(Cl)cc2[N+](=O)[O-])cc1 196943061 HZBYBPWTEQRTGG-UHFFFAOYSA-N 280.736 3.982 5 1 CHBF Cc1c(O)ccc2c1ccc1cc(O)cc([C@@H](C)O)c12 2356520991 GTPRMEPXPKYOKK-SNVBAGLBSA-N 268.312 3.766 5 1 CHBF Cc1cccc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c12 587160000 BFZGORDCXARYKG-UHFFFAOYSA-N 271.251 3.586 5 1 CHBF Cc1cccc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c12 587269384 BUARYCAJOWZTQO-UHFFFAOYSA-N 281.315 3.565 5 1 CHBF Cn1c2c3cc([N+](=O)[O-])ccc3nc-2cc2cc(F)ccc21 138269672 CKJWHKWBJCKBLB-UHFFFAOYSA-N 295.273 3.879 5 1 CHBF O=C(c1ccc([N+](=O)[O-])cc1F)c1coc2ccccc12 587280949 KCOJDJBPHJRQSA-UHFFFAOYSA-N 285.230 3.711 5 1 CHBF CCc1[nH]c2ccc(F)c(Cl)c2c1C[C@H](C)[N+](=O)[O-] 587631251 JNRYOZQBDNKTQH-ZETCQYMHSA-N 284.718 3.731 5 1 CHBF Cc1c(CC[C@H](C)[N+](=O)[O-])[nH]c2cc(Cl)c(F)cc12 587631357 KCYNBKCFYBPWNO-ZETCQYMHSA-N 284.718 3.867 5 1 CHBF Cc1ccc(C(=O)c2coc3ccccc23)cc1[N+](=O)[O-] 587280602 MGCICVUCSHTSMV-UHFFFAOYSA-N 281.267 3.880 5 1 CHBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)Nc1ccccc1 587647068 ONLJXZCDYREXOQ-UHFFFAOYSA-N 295.298 3.637 5 1 CHBF Cc1nc(Nc2ccccc2)c2scc([N+](=O)[O-])c2n1 1857571385 LBGPDBVVYZFSMP-UHFFFAOYSA-N 286.316 3.652 5 1 CHBF CC1=NCC[N@+]1(CCc1ccccc1)Cc1ccccc1 254075172 DSCWRLBFIKKWFK-OAQYLSRUSA-N 279.407 3.678 5 1 CHBF O=[N+]([O-])Cc1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c12 587647959 VRPNBFKIGVDYOA-UHFFFAOYSA-N 297.270 3.520 5 1 CHBF CCCc1nc2c3ccc(F)cc3c3c(=O)[nH]ccc3c2[nH]1 29136005 YJTOMISLUNIESJ-UHFFFAOYSA-N 295.317 3.649 5 1 CHBF O=C(c1ccsc1)c1coc2cc([N+](=O)[O-])ccc12 587280808 ZDJXTFXDGHTYTA-UHFFFAOYSA-N 273.269 3.634 5 1 CHBF COc1cccc2[nH]c3c4ccncc4cc(C#N)c3c12 217054330 DSISPBFCWKLZEA-UHFFFAOYSA-N 273.295 3.750 5 1 CHBF Cc1cc2[nH]c(/C=C/c3ccc(N)cc3)nc2cc1[N+](=O)[O-] 587252543 ZACZQWLMELTQGK-QPJJXVBHSA-N 294.314 3.532 5 1 CHBF O=[N+]([O-])c1ccc(O)c(-c2cc3c4c(cccc4n2)CC3)c1 587210728 FLPKJDKHPIQOST-UHFFFAOYSA-N 292.294 3.614 5 1 CHBF CC(=O)Nc1ccc2c(C)c3c(nc2n1)[nH]c1ccccc13 1857755 XDNDEHOBFXNQQS-UHFFFAOYSA-N 290.326 3.531 5 1 CHBF O=C(O)c1cc2c3ccccc3[nH]c2c2[nH]ccc12 84690331 UTTLLHVBBKIZJB-UHFFFAOYSA-N 250.257 3.501 5 1 CHBF Cn1c([N+](=O)[O-])cnc1/C=C/c1cccc2ccccc12 40834565 OIKFIVHTXHLTBQ-MDZDMXLPSA-N 279.299 3.652 5 1 CHBF O=[N+]([O-])c1cccc2[nH]c(-c3ccc(F)cc3)c(O)c12 587646079 SQPHWDYMNOMASF-UHFFFAOYSA-N 272.235 3.588 5 1 CHBF Cc1cc2[nH]c(=N)c3c4ccccc4cn3c2cc1C 299844655 OLTOERWGZFTDJD-UHFFFAOYSA-N 261.328 3.670 5 1 CHBF CC[C@H](C(=O)O)c1ccc2c(=O)c3ccccc3ccc2c1 39220561 AWEQLPUHWLIXIH-HNNXBMFYSA-N 292.334 3.931 5 1 CHBF CCc1c(-c2cn(CC)nc2C)[nH]c2cc([N+](=O)[O-])ccc12 587647755 ODYXZCKWKWFADW-UHFFFAOYSA-N 298.346 3.830 5 1 CHBF O=[N+]([O-])c1ccccc1[C@H]1SCc2nc3ccccc3n21 13223016 PSYDBXIUPWICOV-OAHLLOKOSA-N 297.339 3.738 5 1 CHBF O=[N+]([O-])c1cc(F)cc(-c2nc3cc(F)c(F)cc3[nH]2)c1 587160133 IOMMAFLXGGHYDX-UHFFFAOYSA-N 293.204 3.555 5 1 CHBF CC1(C)CCC(Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)CC1 587961823 YFQNCSAJWGFJIY-UHFFFAOYSA-N 288.351 3.625 5 1 CHBF Cc1c(-c2cccc([N+](=O)[O-])c2)[nH]c2c(C(=O)O)cccc12 587638479 QNBCFPYTNJBBQW-UHFFFAOYSA-N 296.282 3.750 5 1 CHBF c1ccc(Cn2c3cccc4cccc(c43)n3cnnc23)cc1 1772650166 UAIKSPYYLWXLNC-UHFFFAOYSA-N 298.349 3.886 5 1 CHBF O=c1cc(/C=C/c2cccc([N+](=O)[O-])c2)[nH]c2ccccc12 1857580480 LKKAARKBWKGBHB-CMDGGOBGSA-N 292.294 3.607 5 1 CHBF Cc1cc(C)c2[nH]c(CCc3cccc([N+](=O)[O-])c3)nc2c1 587269452 CRLUBGLRXXAVCA-UHFFFAOYSA-N 295.342 3.873 5 1 CHBF CC[C@@H](C)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587954801 CIVHGYKODGKYHS-ZCFIWIBFSA-N 298.140 3.747 5 1 CHBF CC(C)=CCc1ccc(O)c2nc3ccccc3nc12 2356789284 DCPGJTYJDDAAMX-UHFFFAOYSA-N 264.328 3.997 5 1 CHBF Cc1c2c(nc3ccc([N+](=O)[O-])cc13)-c1c(N)cccc1C2 587211771 WJLJVTINBVAMNL-UHFFFAOYSA-N 291.310 3.605 5 1 CHBF CCc1[nH]c2c(C)cc(Cl)cc2c1C[C@@H](C)[N+](=O)[O-] 587626829 IFZFHJPSTVSTKM-SECBINFHSA-N 280.755 3.900 5 1 CHBF CCc1ccc(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)cc1CC 586879741 QHCBXSOUURJTIT-UHFFFAOYSA-N 296.330 3.658 5 1 CHBF Cc1[nH]c2c(C)cc(Cl)cc2c1-n1ccc([N+](=O)[O-])n1 587627413 VKIPMGMNJLVSJG-UHFFFAOYSA-N 290.710 3.532 5 1 CHBF O=[N+]([O-])c1ccc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 586890345 ONHCILGEEHMYCE-BWCYYRKRSA-N 297.358 3.939 5 1 CHBF Cc1ccc2oc(=O)c(-c3cccc([N+](=O)[O-])c3)cc2c1 230841142 QHMFVFSWIUVIKQ-UHFFFAOYSA-N 281.267 3.677 5 1 CHBF Cc1ccc(-c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c(F)c1 587146746 VCMPJHWXYOWSHD-UHFFFAOYSA-N 285.278 3.894 5 1 CHBF COc1cc2ccnc3ccn4c(CC(C)C)nc1c4c23 2356803444 XCLVLUQTDDUZRP-UHFFFAOYSA-N 279.343 3.681 5 1 CHBF COc1cc2ccnc3ccn4c(C(C)C)nc1c4c23 36468809 RPPSCMBZOUNEAI-UHFFFAOYSA-N 265.316 3.606 5 1 CHBF O=[N+]([O-])c1ccc(-c2cnc(NC3CCCCC3)[nH]2)cc1 72108574 CUGBHZWMIYIUHT-UHFFFAOYSA-N 286.335 3.730 5 1 CHBF Cc1ccnc(-c2c(C)[nH]c3cc([N+](=O)[O-])ccc23)c1 587649089 PGXDVMFYNYJZAH-UHFFFAOYSA-N 267.288 3.755 5 1 CHBF O=[N+]([O-])c1cccc2ccc(C(Cl)(Cl)Cl)nc12 36477284 OHDZCTLOHUQTEN-UHFFFAOYSA-N 291.521 3.970 5 1 CHBF Cc1cccc(OCc2nc3cccc([N+](=O)[O-])c3[nH]2)c1C 587564847 ZIHHRDGMVMBLBK-UHFFFAOYSA-N 297.314 3.667 5 1 CHBF CC(=O)Cc1c([N+](=O)[O-])oc2ccc3ccccc3c12 25969243 RTVLGLAEBUGVOK-UHFFFAOYSA-N 269.256 3.626 5 1 CHBF O=C(c1ccccc1)c1coc2cc([N+](=O)[O-])ccc12 587279300 FVSOLOUKQCKRJJ-UHFFFAOYSA-N 267.240 3.572 5 1 CHBF O=[N+]([O-])c1ccc2c(c1)CC[C@H](NCc1ccccc1)CC2 653748028 WKGQZQOSXNTTNI-QGZVFWFLSA-N 296.370 3.632 5 1 CHBF CC(C)=CCOc1cc(O)c2c(=O)c3ccccc3oc2c1 28650392 IZBWCGBOOSCKRX-UHFFFAOYSA-N 296.322 3.997 5 1 CHBF CC1=CN2C=C(C)N(Cc3ccccc3[N+](=O)[O-])[C]2C=C1 2356853219 KZWLRDOUAVWEIQ-UHFFFAOYSA-N 282.323 3.537 5 1 CHBF Cc1c2c[n+](C)ccc2c(C)c2c1c1cc(O)ccc1n2C 1558678 DOLXKRGCDYCTQR-UHFFFAOYSA-O 291.374 3.632 5 1 CHBF O=[N+]([O-])c1ccc(CN2CCC(c3ccccc3)CC2)o1 653801355 VVAHLTLSTXGDOE-UHFFFAOYSA-N 286.331 3.567 5 1 CHBF O=[N+]([O-])c1c[nH]cc1-c1c(Cl)cccc1Cl 6524986 SXHJYGDNQXCLAC-UHFFFAOYSA-N 257.076 3.897 5 1 CHBF CCCC[C@@H]1[C@@H](OC(C)=O)CCC[C@@]12CCCC[N+]2(C)C 28004989 YXZDNOABRLUUIE-SQNIBIBYSA-N 296.475 3.908 5 1 CHBF Cc1c2cn(C)ccc2cc2c1c1ccccc1[n+]2C 653723625 RTRVBCPUKUNDPM-UHFFFAOYSA-N 261.348 3.618 5 1 CHBF CCc1ccc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)cc1CC 586879364 OTRRVAWJMOUDHY-UHFFFAOYSA-N 296.330 3.658 5 1 CHBF CC(C)CCC(=O)c1coc2cc([N+](=O)[O-])ccc12 587278880 AJZAGMCYWDNYCS-UHFFFAOYSA-N 261.277 3.960 5 1 CHBF C[N+](C)(C)Cc1cn(Cc2ccccc2)c2ccccc12 103301013 IRZHDJDTAAZZCI-UHFFFAOYSA-N 279.407 3.896 5 1 CHBF CCOc1cc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)ccc1C 587780192 NIEXEJBFINKORW-UHFFFAOYSA-N 297.314 3.845 5 1 CHBF Cc1ccc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2c1C 587160391 QHEFOSDTKKZNDJ-UHFFFAOYSA-N 285.278 3.894 5 1 CHBF Oc1c2c3ccccc3nc-2c2cccc3c2n1CC3 104649458 AOXRJSYWVOBNDG-UHFFFAOYSA-N 260.296 3.556 5 1 CHBF O=[N+]([O-])c1ccc(-n2nc3cc2Oc2ccc(F)cc2-3)cc1 587876005 XUNGKWNIELOLIG-UHFFFAOYSA-N 297.245 3.692 5 1 CHBF C[C@@H]1CC=CC[C@H]1c1nc2ccc([N+](=O)[O-])cc2[nH]1 587970939 PBVWIHPJVQTFKO-MWLCHTKSSA-N 257.293 3.541 5 1 CHBF C[C@@H]1CC[N+]2(C)CCc3c([nH]c4ccccc34)[C@@H]2C1 72119687 GNYLBMQRZQXDNA-HNENUHGKSA-N 255.385 3.642 5 1 CHBF O=[N+]([O-])c1cccc2c(-c3ccccc3)cc(O)nc12 299855243 AUCOHKKVNFWKLC-UHFFFAOYSA-N 266.256 3.516 5 1 CHBF O=c1c2cccc(Cl)c2nc2c3ccccc3ccn12 1857645060 CQBYGIYZYWCSEX-UHFFFAOYSA-N 280.714 3.654 5 1 CHBF CC1(C)CCc2c(c3ccccc3c3nccnc23)O1 40828782 MTTCJOLBNDKEAW-UHFFFAOYSA-N 264.328 3.887 5 1 CHBF Cc1cc2[nH]c(-c3cnc(Cl)s3)nc2cc1[N+](=O)[O-] 587022874 CAHPDZYJDZVLIQ-UHFFFAOYSA-N 294.723 3.556 5 1 CHBF Clc1nnc(Nc2cc[nH]n2)c2cc3ccccc3cc12 66066340 JMVNGIKKZXPWAY-UHFFFAOYSA-N 295.733 3.903 5 1 CHBF O=[N+]([O-])c1cccc(C2=NCC[C@H](c3ccccc3)O2)c1 8680156 RZMRPHRFKNFRHE-OAHLLOKOSA-N 282.299 3.503 5 3 CHBF aggregator C=Cc1cc(C)cc2c(=O)oc3c(C)c(O)ccc3c12 28570966 YERWNPWXTZFJOJ-UHFFFAOYSA-N 266.296 3.912 5 1 CHBF O=c1cc(O)cc2oc3c(sc4ccccc43)c(O)c1-2 169717707 ZGDRYCFYPMQPSB-UHFFFAOYSA-N 284.292 3.524 5 1 CHBF O=[N+]([O-])c1ccccc1-c1cc2c3c(cccc3n1)CC2 587211271 OHDJUHHNFGOYBL-UHFFFAOYSA-N 276.295 3.909 5 1 CHBF COc1ccc(/C=C/c2cccc([N+](=O)[O-])c2)cc1 205971369 OQTPCVHPYCNENY-AATRIKPKSA-N 255.273 3.774 5 1 CHBF CC(C)(C)[C@@H]1CC[C@@H](c2nc3cncc([N+](=O)[O-])c3[nH]2)C1 587969725 VQRCHWOGRNNFLE-NXEZZACHSA-N 288.351 3.796 5 1 CHBF CN1O[C@@H](CO)C[C@@H]1c1c2ccccc2cc2ccccc12 28567768 VFLVQRHVLUXZGM-CRAIPNDOSA-N 293.366 3.662 5 1 CHBF CC1(C)C=C(c2cccc([N+](=O)[O-])c2)c2ccc(O)cc2O1 169330236 LXFNLAFYUJZCSN-UHFFFAOYSA-N 297.310 3.903 5 1 CHBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1N1CCCC[C@@H]1C 587648250 AIIPVCHKKGFNRL-JTQLQIEISA-N 273.336 3.763 5 1 CHBF O=[N+]([O-])c1ccc2oc(-c3cccc(O)c3)cc2c1 473114999 QHTZZLZILHYRJL-UHFFFAOYSA-N 255.229 3.714 5 1 CHBF CCCC/C=C/C=C/C=C/[C@@H]1CC[C@@H](O)[C@H](C)[N@+]1(C)[O-] 299844820 LZZRCKFXUQNNGN-JVDBEELFSA-N 279.424 3.701 5 1 CHBF O=C(c1ccccc1F)c1coc2cc([N+](=O)[O-])ccc12 587280431 WUGNMPYDLYVWMA-UHFFFAOYSA-N 285.230 3.711 5 1 CHBF O=[N+]([O-])c1ccc([C@H]2SCc3nc4ccccc4n32)cc1 12942786 GPJQAAFNSXDREJ-OAHLLOKOSA-N 297.339 3.738 5 1 CHBF CC1(C(=O)c2c(C(F)F)[nH]c3cc([N+](=O)[O-])ccc23)CC1 587645805 DJSPOXDYSYPOOS-UHFFFAOYSA-N 294.257 3.997 5 1 CHBF C/C=C/c1cccc2c(=O)oc3c(C)c(O)ccc3c12 28571354 VIOPLQWKXTXZNC-HWKANZROSA-N 266.296 3.993 5 1 CHBF Oc1nc2cc(C(F)(F)F)ccc2c2nc(Cl)ncc12 299837097 POHOVAREWBDFQU-UHFFFAOYSA-N 299.639 3.556 5 1 CHBF O=[N+]([O-])c1cc(CSc2ccccc2)cc([N+](=O)[O-])c1 169332065 PGZAZNMJJYGTAS-UHFFFAOYSA-N 290.300 3.795 5 1 CHBF O=C(c1cccs1)c1coc2cc([N+](=O)[O-])ccc12 587279818 BSSLZWVUOSLGPA-UHFFFAOYSA-N 273.269 3.634 5 1 CHBF COc1ccc(-n2cc([N+](=O)[O-])c3ccc(OC)cc32)cc1 96907013 XWIQJWPECYLWPI-UHFFFAOYSA-N 298.298 3.556 5 1 CHBF O=[N+]([O-])c1cccc(-c2cc3cc([N+](=O)[O-])ccc3o2)c1 473117778 ZZCHNAODUAWQNM-UHFFFAOYSA-N 284.227 3.916 5 1 CHBF O=[N+]([O-])c1c(Nc2ccc(Cl)cc2)ccc2nonc12 95598301 RFTDVRBOQALWRE-UHFFFAOYSA-N 290.666 3.528 5 1 CHBF O=C(COc1ccccc1)c1coc2cc([N+](=O)[O-])ccc12 587279768 RLENRHBRSMWMRZ-UHFFFAOYSA-N 297.266 3.603 5 1 CHBF Cc1c(C(=O)c2coc3ccccc23)cccc1[N+](=O)[O-] 587280600 LUFLBYRXDVEIRI-UHFFFAOYSA-N 281.267 3.880 5 1 CHBF O=[N+]([O-])c1ccc(-c2ccsc2)c2ncccc12 1857756689 VVIOXBASZNNJBU-UHFFFAOYSA-N 256.286 3.872 5 1 CHBF C[N+]1(C)CCCC[C@@H]1CCC(=O)c1ccc(Cl)cc1 13554228 NGWBQTMXONMERN-OAHLLOKOSA-N 280.819 3.932 5 1 CHBF N=C(N)NCc1ccc2ccc3cccc4ccc1c2c34 28825489 FMYYPSBFCDITMC-UHFFFAOYSA-N 273.339 3.567 5 1 CHBF Cc1ccc2[nH]c(-c3cc([N+](=O)[O-])c(C)o3)nc2c1C 587268935 NQRHSVDFXOZKKM-UHFFFAOYSA-N 271.276 3.656 5 1 CHBF O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1[C@@H]2/C=C/CCCC[C@@H]21 169300806 ZPANZFWPFCWZHP-HSWLJPHWSA-N 286.331 3.526 5 1 CHBF c1ccc2c(c1)[nH]c1cccc3cc4[n+](c2c31)CCC4 7337 OXJADAYPJJDRMG-UHFFFAOYSA-O 259.332 3.708 5 1 CHBF CC1(C)C[C@H]2C[C@](C)(CN2Cc2cccc([N+](=O)[O-])c2)C1 3680977 GQOSNBDGQBEHJN-RDJZCZTQSA-N 288.391 3.995 5 1 CHBF O=[N+]([O-])c1cccc(C2=NCC[C@@H](c3ccccc3)O2)c1 8680155 RZMRPHRFKNFRHE-HNNXBMFYSA-N 282.299 3.503 5 3 CHBF aggregator COC(=O)[C@H](C)c1ccc2c(=O)c3ccccc3ccc2c1 39220556 ZWBGMJXMKNGQOM-GFCCVEGCSA-N 292.334 3.630 5 1 CHBF O=c1c2ccccc2c2ccccc2n1CCn1cccc1 40976181 WSBNNSALNMZPAO-UHFFFAOYSA-N 288.350 3.656 5 1 CHBF O=[N+]([O-])c1ccc2nc(-c3cc(S)ccc3F)[nH]c2c1 587143188 ZVKPXNHFFZCCQO-UHFFFAOYSA-N 289.291 3.566 5 1 CHBF Nc1ccc(/C=C/c2ccnc3ccccc23)c([N+](=O)[O-])c1 36382851 WVRDXMPCBLNUNI-AATRIKPKSA-N 291.310 3.896 5 1 CHBF C[N@+]1(CCC(=O)c2ccccc2)CC[C@H]2CC[C@H](C2)C1 253917051 CRFHUZSZRWPLEA-GPMSIDNRSA-N 272.412 3.526 5 1 CHBF C[n+]1cn(-c2ccc3ccc4cccc5ccc2c3c45)cn1 1857574878 QGACMAFESYHTHY-UHFFFAOYSA-N 284.342 3.594 5 1 CHBF O=[N+]([O-])c1ccc2oc(CCc3ccccc3)nc2c1 28815130 ZNGNOMCYPCKIPF-UHFFFAOYSA-N 268.272 3.521 5 1 CHBF COc1cc(C(F)(F)F)cc2[nH]c3ccccc3c(=O)c12 28713685 NDERVWDPVVBTJK-UHFFFAOYSA-N 293.244 3.709 5 1 CHBF O=[N+]([O-])c1ccc(Nc2nnc(-c3ccccc3)s2)cc1 28637987 QBGSDAQLMYYWLV-UHFFFAOYSA-N 298.327 3.857 5 1 CHBF CC1(C)CCc2cc(O)c3c(=O)c4ccccc4oc3c2O1 96932852 ITRAHUAVOADDFX-UHFFFAOYSA-N 296.322 3.755 5 1 CHBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1ccn(C(C)C)n1 587647384 GKEYFZVCKIBVQB-UHFFFAOYSA-N 284.319 3.829 5 1 CHBF CC(=O)[C@@H](c1ccccc1)[C@H](c1ccccc1)[C@H](C)[N+](=O)[O-] 13152324 JMJGTAJCIPQMSZ-KKXDTOCCSA-N 297.354 3.808 5 1 CHBF C[C]1N(C)c2ccccc2N1Cc1ccccc1[N+](=O)[O-] 2356839926 WIFVBCLAWSRYSG-UHFFFAOYSA-N 282.323 3.561 5 1 CHBF COc1ccc2c(c1)cc1nc3ccccc3c-1n2C 136162141 NQENVJWOAGDNGG-UHFFFAOYSA-N 262.312 3.840 5 1 CHBF CC1(C)C=C(c2ccccc2[N+](=O)[O-])c2ccc(O)cc2O1 169330239 LULOWCCUVXGXJT-UHFFFAOYSA-N 297.310 3.903 5 1 CHBF CCCC/C=C/C=C/C=C/[C@@H]1CC[C@H](O)[C@H](C)[N@+]1(C)[O-] 299844821 LZZRCKFXUQNNGN-PEASYARQSA-N 279.424 3.701 5 1 CHBF CC1(C)C=Cc2c(ccc3oc4c(O)cccc4c(=O)c23)O1 14514137 DKOPSUVPBSAXRA-UHFFFAOYSA-N 294.306 3.836 5 1 CHBF O=[N+]([O-])c1cc(C(F)(F)F)cc2cc(Cl)c(O)nc12 1857591028 XOBIXGOPCUGVRU-UHFFFAOYSA-N 292.600 3.521 5 1 CHBF COc1ccc2c(c1)Sc1cc([N+](=O)[O-])ccc1N2C 84713426 VVBPFJNACIRSHD-UHFFFAOYSA-N 288.328 3.836 5 1 CHBF CC[C@]1(C)C[C@H]1c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 586892079 TWKIPKRHOYBOHE-LKFCYVNXSA-N 259.309 3.683 5 1 CHBF COC(=O)c1c2ccccc2nc2c1[nH]c1ccccc12 14517293 AAONKCQWDVKDQP-UHFFFAOYSA-N 276.295 3.656 5 1 CHBF CC(C)[C@H](C)Nc1nc2cc[nH]c(=O)c2c2cc(F)ccc12 64549713 PKCJWSFDRJQONO-JTQLQIEISA-N 299.349 3.672 5 1 CHBF Cc1ccc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2c1 587270887 VUEAIOADVLZNGW-UHFFFAOYSA-N 281.315 3.565 5 1 CHBF C[N+](C)(C)CCOc1ccc(CCc2ccccc2)cc1 36079927 MFWQZKAUKJATCE-UHFFFAOYSA-N 284.423 3.557 5 1 CHBF O=[N+]([O-])c1cccc2nc(/C=C/c3ccsc3)[nH]c12 587025560 LAPKZYUCYYVZAY-SNAWJCMRSA-N 271.301 3.703 5 1 CHBF CCNC(=O)Nc1ccc2c(c1)c(C)nc1ccccc12 1772615564 LVBYTCXDVQRCKX-UHFFFAOYSA-N 279.343 3.838 5 1 CHBF O=[N+]([O-])c1ccc2nc(-c3ccccc3)ccc2c1 40392701 QGJPWQJZBMPMAT-UHFFFAOYSA-N 250.257 3.810 5 1 CHBF C=Cc1c(C)c(O)cc2ccc3oc(=O)ccc3c12 14492285 RVJDVUXMXQZYLK-UHFFFAOYSA-N 252.269 3.603 5 1 CHBF Cc1ccc(-c2cc(O)nc3c([N+](=O)[O-])cccc23)s1 299859544 FWLHOAYPEBEWHP-UHFFFAOYSA-N 286.312 3.886 5 1 CHBF COc1ccc2nc3c(C)cc4ccccc4n3c2c1 1637735 UKVTYFCFSASELC-UHFFFAOYSA-N 262.312 3.958 5 1 CHBF O=[N+]([O-])c1cc2[nH]ncc2c2c1[nH]c1ccc(Cl)cc12 96272477 VLAUCAGVICCIPT-UHFFFAOYSA-N 286.678 3.759 5 1 CHBF OCCNc1c2ccccc2nc2c1oc1ccccc12 13675791 AANGINPFIOQWTE-UHFFFAOYSA-N 278.311 3.538 5 1 CHBF Cc1c(-c2ccccc2)[nH]c2c(O)cc([N+](=O)[O-])cc12 72113256 KEGBNTQQKKEAHI-UHFFFAOYSA-N 268.272 3.757 5 1 CHBF Nc1ccc(Sc2ccc([N+](=O)[O-])cc2Cl)cc1 222637447 ZAERKCQIFUJYIJ-UHFFFAOYSA-N 280.736 3.982 5 1 CHBF COc1cccc2nc3cc4ccccc4cc3nc12 72109746 KRFXVKZYAKMTKX-UHFFFAOYSA-N 260.296 3.945 5 1 CHBF Cc1cc(N2CCC(C)CC2)nc2ccc([N+](=O)[O-])cc12 20104340 ZNTIUNMVTILPLE-UHFFFAOYSA-N 285.347 3.688 5 1 CHBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1N1CCCCCC1 587649108 QEGFGJSKIUKNLS-UHFFFAOYSA-N 273.336 3.765 5 1 CHBF CN(C)CCCN=c1c2ccccc2sc2ccccc12 27086183 LZIPRRUCHRODJE-UHFFFAOYSA-N 296.439 3.907 5 1 CHBF CC(C)(C(=O)O)c1ccc2c(=O)c3ccccc3ccc2c1 169347064 DTKWCYZINQXWPV-UHFFFAOYSA-N 292.334 3.715 5 1 CHBF CC[C@@]1(C)C[C@H]1c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 586892084 TWKIPKRHOYBOHE-XPTSAGLGSA-N 259.309 3.683 5 1 CHBF Cc1ccc(-c2c(C)[nH]c3cccc([N+](=O)[O-])c23)nc1 587649090 PHBVTVMYVLKRFO-UHFFFAOYSA-N 267.288 3.755 5 1 CHBF O=[N+]([O-])c1cc2[nH]ncc2c2c1ncc1ccc(Cl)cc12 299828337 ICYDQKBSGOJZLC-UHFFFAOYSA-N 298.689 3.826 5 1 CHBF CC[C@@H](C)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587956240 OWZXOFDLFHCTJR-ZCFIWIBFSA-N 253.689 3.638 5 1 CHBF c1ccc2nc3cc4[nH]c(C5CCC5)nc4cc3nc2c1 586884972 SQUYLLKRACBDSK-UHFFFAOYSA-N 274.327 3.927 5 1 CHBF O=C(Cc1ccc(F)cc1)c1coc2cc([N+](=O)[O-])ccc12 587280017 GOOZVJBFLNVJEG-UHFFFAOYSA-N 299.257 3.906 5 1 CHBF COc1ccc2c(c1)c1c3ncccc3ccc1n2C 5161533 FFUPGCUVYDJGMK-UHFFFAOYSA-N 262.312 3.888 5 1 CHBF O=c1cc(N2CCCCC2)oc2c1ccc1ccccc12 3119 MAIHLQWUOLIOEP-UHFFFAOYSA-N 279.339 3.937 5 1 CHBF in-vivo O=[N+]([O-])c1cnc(Cl)cc1Oc1cccc2ocnc12 1857757832 HJNRLKPQQMXIKI-UHFFFAOYSA-N 291.650 3.577 5 1 CHBF COc1cc2cccnc2c2nc(C)c3cc[nH]c3c12 40974890 TXAWJOBFXRMHPM-UHFFFAOYSA-N 263.300 3.581 5 1 CHBF CC(C)c1nnc2sc3cc4ccccc4c-3nn12 72116767 LEOBEQFVTMMZAE-UHFFFAOYSA-N 268.345 3.567 5 1 CHBF COc1c(C)cc2c3c(cc4ccc(O)cc4c13)NC2=O 140833074 NMAMOKYEDOEQIW-UHFFFAOYSA-N 279.295 3.581 5 1 CHBF CC(=O)[C@@H](c1ccccc1)[C@@H](c1ccccc1)[C@H](C)[N+](=O)[O-] 13152322 JMJGTAJCIPQMSZ-VHSSKADRSA-N 297.354 3.808 5 1 CHBF Cc1cccc(-c2ccc([N+](=O)[O-])c3[nH]c(C(=O)O)cc23)c1 103242923 HIMLLYLUWXSMHJ-UHFFFAOYSA-N 296.282 3.750 5 1 CHBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1NC(=O)OC(C)(C)C 587646531 FIOYKKKRBWJQDF-UHFFFAOYSA-N 291.307 3.732 5 1 CHBF O=C(c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)C1CC1 66252356 JXLBCEUKCCZUPC-UHFFFAOYSA-N 297.310 3.767 5 1 CHBF Cc1cccc2c1ccc1c3c(c(=O)oc12)[C@@H](C)CO3 198422205 ZWWLADNULPMMGW-JTQLQIEISA-N 266.296 3.751 5 1 CHBF O=[N+]([O-])c1cc(F)cc(-c2nc3cc(F)cc(F)c3[nH]2)c1 587160182 KVCZOFIWKDFSOV-UHFFFAOYSA-N 293.204 3.555 5 1 CHBF Cc1cccc2cc(-c3ccc([N+](=O)[O-])cc3)c(=O)oc12 1857605289 JMRDPDJMXDDATP-UHFFFAOYSA-N 281.267 3.677 5 1 CHBF COc1ccc2c(c1)cc1c3c(cc4c(c32)OCO4)CCN1 13434464 CWOCFACQEGXSSY-UHFFFAOYSA-N 293.322 3.698 5 1 CHBF CCc1cc2c3ccccc3n(O)c2c2c[n+](C)ccc12 238754660 NLEOXZGJTXDZQJ-UHFFFAOYSA-N 277.347 3.572 5 1 CHBF O=[N+]([O-])c1ccc2c(c1)C=C[C@H](c1ccccc1)O2 68247251 RCKFRUGOMZMJAI-CQSZACIVSA-N 253.257 3.742 5 1 CHBF C[N+](C)(CCCOc1ccccc1)c1ccccc1 4245705 WXRCUDNVDQZRME-UHFFFAOYSA-N 256.369 3.723 5 1 CHBF Cc1c(-c2nc3cc(F)c(F)cc3[nH]2)cccc1[N+](=O)[O-] 587260814 GVAWFEOIYNFSFB-UHFFFAOYSA-N 289.241 3.725 5 1 CHBF Cc1cc2[nH]c3cc4ccccc4c(=O)n3c2cc1C 102013728 GWPMHMIOWQSBMP-UHFFFAOYSA-N 262.312 3.551 5 1 CHBF O=[N+]([O-])c1cccc([C@@H]2SCc3nc4ccccc4n32)c1 12942610 JPYOBZYHHWLYHI-HNNXBMFYSA-N 297.339 3.738 5 1 CHBF COc1ccc(Br)c2nc3ccccc3nc12 32272301 BTPLLEQWBPUCQB-UHFFFAOYSA-N 289.132 3.554 5 1 CHBF N[C@H]1CCC[C@@H](c2cc(=O)c3ccc4ccccc4c3o2)C1 1857578946 LGISYBPZLMJKNX-KGLIPLIRSA-N 293.366 3.931 5 1 CHBF COc1cc2c3c(cc4ccccc4c3c1OC)N(C)C2=O 13484721 DPJMELSPGMOETA-UHFFFAOYSA-N 293.322 3.600 5 1 CHBF Cc1cccc2c1oc(=O)c1cc3c(nc12)CCCC3 103272134 GNPYMAZZTKOIAG-UHFFFAOYSA-N 265.312 3.528 5 1 CHBF CCCC/C=C/C=C/C=C/[C@@H]1CC[C@@H](O)[C@H](C)[N@@+]1(C)[O-] 255231111 LZZRCKFXUQNNGN-GEZABEOASA-N 279.424 3.701 5 1 CHBF CCCC1(c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)CCC1 586877892 VFJRBVPXVGPYBI-UHFFFAOYSA-N 277.299 3.832 5 1 CHBF COc1ccc2c3nc4ccccc4c-3c(O)oc2c1 101648544 XCJRYXGJPIIDGN-UHFFFAOYSA-N 265.268 3.800 5 1 CHBF CCc1[nH]c2c(C)cc(Cl)cc2c1C[C@H](C)[N+](=O)[O-] 587626832 IFZFHJPSTVSTKM-VIFPVBQESA-N 280.755 3.900 5 1 CHBF c1cnc2c(c1)c1nc(C3CCC3)[nH]c1c1cccnc12 586885247 ZIMCMCGMJJPLAT-UHFFFAOYSA-N 274.327 3.927 5 1 CHBF C[n+]1cc2ccccc2c2cccc(OC(F)(F)F)c21 1772604327 RYRVWDHXFNLJPH-UHFFFAOYSA-N 278.253 3.716 5 1 CHBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1ccc(F)cc1 587645842 MBNGQYJRGZJPJL-UHFFFAOYSA-N 298.273 3.755 5 1 CHBF Cc1cc(C)cc(C(=O)n2ccc3cc([N+](=O)[O-])ccc32)c1 40565726 JQPNADUIKBHJSB-UHFFFAOYSA-N 294.310 3.855 5 1 CHBF O=[N+]([O-])c1cccc2c(Sc3ccccc3)cc(O)nc12 299869717 VGCDAAJZNJDBGW-UHFFFAOYSA-N 298.323 4.000 5 1 CHBF COc1cc(OC)c2c(=O)c3cc(Cl)ccc3oc2c1 1772584796 PTELSNCFCPIJTF-UHFFFAOYSA-N 290.702 3.617 5 1 CHBF O=[N+]([O-])c1cc2cn[nH]c2c2c1[nH]c1ccc(Cl)cc12 96272484 YCOPDPFCEMUKCX-UHFFFAOYSA-N 286.678 3.759 5 1 CHBF CC[C@@]1(C)C[C@@H]1c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 586892083 TWKIPKRHOYBOHE-OTYXRUKQSA-N 259.309 3.683 5 1 CHBF O=[N+]([O-])c1ccc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c2c1 587961061 PMLSOVPQIQZYDT-JSGCOSHPSA-N 293.326 3.817 5 1 CHBF COc1ccc2[nH]c3c(C)c4ccnc(CO)c4cc3c2c1 27550223 ZLTSTBKNYCEXOB-UHFFFAOYSA-N 292.338 3.679 5 1 CHBF Cn1c2cccc(=O)c-2cc2sc3ccccc3c21 377836310 REKSXVAUIHFICL-UHFFFAOYSA-N 265.337 3.858 5 1 CHBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1N1CCC[C@H](C)C1 587648328 CNGIWYSAUCZUGQ-JTQLQIEISA-N 273.336 3.621 5 1 CHBF O=c1cc(NC[C@H]2CCCO2)oc2c1ccc1ccccc12 101029396 USVRQGNGVBJZLK-CYBMUJFWSA-N 295.338 3.537 5 1 CHBF Cn1c2c3ccccc3nc-2c(C(=O)O)c2ccccc21 195927430 DPPRYNPDEDQLAA-UHFFFAOYSA-N 276.295 3.530 5 1 CHBF CSc1ccc2[nH]c(-c3cc([N+](=O)[O-])c(C)o3)nc2c1 587269179 RUYSJVSIBXGIIW-UHFFFAOYSA-N 289.316 3.761 5 1 CHBF Cc1c(-c2cc([N+](=O)[O-])ccc2O)[nH]c2cc(F)ccc12 587635108 DDYREMARZYVQOD-UHFFFAOYSA-N 286.262 3.896 5 1 CHBF COc1c(-c2cccc([N+](=O)[O-])c2)[nH]c2cc(F)ccc12 587636249 TZEVLRUFZWQJPE-UHFFFAOYSA-N 286.262 3.891 5 1 CHBF COc1ccc2c(ccc3cc(O)cc(OC)c32)c1 14651072 BLEJCVUXRRNLMA-UHFFFAOYSA-N 254.285 3.716 5 1 CHBF biogenic,in-vitro Cc1ccccc1NC(=N)Nc1ccc([N+](=O)[O-])cc1C 26486282 URIJSKQEDHOILM-UHFFFAOYSA-N 284.319 3.670 5 1 CHBF Cc1c(-c2cc(F)ccc2O)[nH]c2cc([N+](=O)[O-])ccc12 587646047 RQKLSKLRUJXAII-UHFFFAOYSA-N 286.262 3.896 5 1 CHBF Cc1cc(N2C[C@@H](C)C[C@@H](C)C2)nc2ccc([N+](=O)[O-])cc12 20104828 WTIFPMCXNFARLP-TXEJJXNPSA-N 299.374 3.934 5 1 CHBF C/C(=C\c1nc2cc([N+](=O)[O-])cnc2[nH]1)C1CCCCC1 587969246 XEQQQDCAFHLEGM-JXMROGBWSA-N 286.335 3.850 5 1 CHBF Cc1ccc2nc3c(O)ccc(Br)c3nc2c1 1857650352 ADKJVWOCWCAOOX-UHFFFAOYSA-N 289.132 3.560 5 1 CHBF O=c1cc2c3ccccc3sn2c2ccccc12 5799 NNIJXNZKDVJFKO-UHFFFAOYSA-N 251.310 3.667 5 1 CHBF Cc1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])cc(O)c12 72114130 FCHBAUUTKDXNDI-UHFFFAOYSA-N 268.272 3.757 5 1 CHBF CC1(C)C=Cc2c(ccc3c(=O)c4ccccc4[nH]c23)O1 85493077 KTYOMDAQMUMSNR-UHFFFAOYSA-N 277.323 3.866 5 1 CHBF biogenic,in-vitro CN(C)CCCN=c1c2ccccc2ccc2ccccc12 27087597 PZBSZXAUFAPJOL-UHFFFAOYSA-N 290.410 3.845 5 1 CHBF Nc1ccccc1Sc1ccc([N+](=O)[O-])cc1Cl 299840160 UTCLJUIDJMXNTG-UHFFFAOYSA-N 280.736 3.982 5 1 CHBF CCC(CC)Nc1cc(-c2cccc([N+](=O)[O-])c2)ncn1 82160230 YPKUJOOYHVBRJP-UHFFFAOYSA-N 286.335 3.652 5 1 CHBF O=c1oc2ccccc2c2nc3ccc(F)cc3cc12 73199520 SZTLMHCSUKPLCY-UHFFFAOYSA-N 265.243 3.634 5 1 CHBF CCC(=O)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587645523 YEKWCLXPLSJYJZ-UHFFFAOYSA-N 286.209 3.688 5 1 CHBF C[n+]1cc2ccccc2c2cc(C(F)(F)F)ccc21 1772640850 CZDGXRVMVLQDTL-UHFFFAOYSA-N 262.254 3.836 5 1 CHBF COc1cccc2c(=O)cc3c4ccccc4sn3c12 16686 AIGBDSLDPIIATC-UHFFFAOYSA-N 281.336 3.676 5 1 CHBF COc1ccc2c(c1)C[C@@H]1[C@]3(CCCC[C@@H]23)CC[N+]1(C)C 95558850 VECGWUSFYLNHCH-IPMKNSEASA-N 286.439 3.744 5 1 CHBF CC[C@@]1(C)C[C@H]1c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586890374 ORJOTUYXDMXVAB-CPFSXVBKSA-N 263.272 3.514 5 1 CHBF Oc1cccc2nc3cc(Cl)c(Cl)cc3nc12 72109902 CCHVJTHNRIENCA-UHFFFAOYSA-N 265.099 3.795 5 1 CHBF Nc1ccc(Cl)cc1Sc1ccccc1[N+](=O)[O-] 39233803 PSDQWZJQLPEYIE-UHFFFAOYSA-N 280.736 3.982 5 1 CHBF Nc1cc(/C=C\c2ccc([N+](=O)[O-])s2)nc2ccccc12 48307277 WWKUJMAYPBERME-WAYWQWQTSA-N 297.339 3.957 5 1 CHBF CCCCCCOc1ccc2oc(=O)c([N+](=O)[O-])cc2c1 13737799 YZZBVUGTKISTDJ-UHFFFAOYSA-N 291.303 3.660 5 1 CHBF O=[N+]([O-])c1ccccc1C=C(Cl)c1ccccn1 2356837423 OCJISCREOHRMEA-UHFFFAOYSA-N 260.680 3.727 5 1 CHBF CC(C)=CCC[C@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1 2356843003 NASKHWUBMLAQKD-LBPRGKRZSA-N 277.320 3.887 5 1 CHBF Cc1ccc(C)c(Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1 587959291 QBHZQANULPELIY-UHFFFAOYSA-N 299.305 3.818 5 1 CHBF Cn1nc(-c2ccc([N+](=O)[O-])cc2)cc1-c1ccccc1 29063682 ISBCZOABBVVYPW-UHFFFAOYSA-N 279.299 3.662 5 1 CHBF COc1c(-c2cccc([N+](=O)[O-])c2)[nH]c2cccc(F)c12 587634866 AAKKUYYUJHWBQL-UHFFFAOYSA-N 286.262 3.891 5 1 CHBF O=[N+]([O-])c1cccc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c12 586888379 ITDWCLZIGNSMGB-KVFJLYFUSA-N 297.358 3.939 5 1 CHBF O=C(O)c1ccc2ccc3ccc(Cl)cc3c(=O)c2c1 169336747 WRGFEGDRHUWPGW-UHFFFAOYSA-N 284.698 3.705 5 1 CHBF Cc1cc2cn3c4ccc(O)cc4nc(N)c3c2cc1C 203384627 VNJLXLIAJUKACY-UHFFFAOYSA-N 277.327 3.545 5 1 CHBF O=[N+]([O-])c1cc2nc(-c3ccoc3C3CC3)[nH]c2cc1F 586902210 VYEZMKQBRZJLEF-UHFFFAOYSA-N 287.250 3.748 5 1 CHBF O=[N+]([O-])c1cccc(-c2ncc3c(n2)-c2ccccc2C3)c1 1857265 KODIFUTVLXURDD-UHFFFAOYSA-N 289.294 3.623 5 1 CHBF CC[C@@H](C)Oc1oc(=O)c2cc([N+](=O)[O-])ccc2c1Cl 95592529 ZYAHDCWKWBXTKS-SSDOTTSWSA-N 297.694 3.532 5 1 CHBF O=[N+]([O-])c1ccc2c(O)c(-c3ccc(F)cc3F)[nH]c2c1 587645502 BSNHYCMBZXCKHM-UHFFFAOYSA-N 290.225 3.727 5 1 CHBF Cc1ccc2nc(-c3cccc([N+](=O)[O-])c3C)[nH]c2c1 587260734 BMLCJKRXUKAWCO-UHFFFAOYSA-N 267.288 3.755 5 1 CHBF O=C(Cc1ccccc1)c1coc2cc([N+](=O)[O-])ccc12 587280000 XVHMKNFNUNXLDX-UHFFFAOYSA-N 281.267 3.766 5 1 CHBF C[n+]1c2ccccc2cc2[nH]c3ccc(Cl)cc3c21 66157525 DKKAJTZYSKRJHU-UHFFFAOYSA-O 267.739 3.952 5 1 CHBF COc1cccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c1 587279940 VMCOOIDZJMTKNC-UHFFFAOYSA-N 297.266 3.581 5 1 CHBF COc1c(C=O)cc(OC)c2c(OC)c3ccccc3cc12 14775029 HJNRNEPJAUPFHZ-UHFFFAOYSA-N 296.322 3.831 5 1 CHBF CCOC(=O)c1cnc2ccc3ccccc3c2c1 207444924 MYCWDRHSRNWJKW-UHFFFAOYSA-N 251.285 3.565 5 1 CHBF CCCCc1c(=O)c2cccnc2n2c1oc1ccccc12 26264519 AFUOJQMUPCWQHP-UHFFFAOYSA-N 292.338 3.937 5 1 CHBF CC[N+]1(CC)CCN(c2ccc3ccccc3c2)CC1 653801608 KYIOZNULDMKHPT-UHFFFAOYSA-N 269.412 3.516 5 1 CHBF CC(C)(C)CC(=O)c1coc2cc([N+](=O)[O-])ccc12 587279530 KFVNKLBLAKLFFR-UHFFFAOYSA-N 261.277 3.960 5 1 CHBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1NC(=O)OC(C)(C)C 587647296 UZPNNRQZJLXYPO-UHFFFAOYSA-N 291.307 3.732 5 1 CHBF COc1cc2ccc3cc(O)ccc3c2c(OC)c1OC 14650872 XOYDRISJWPIZCQ-UHFFFAOYSA-N 284.311 3.724 5 1 CHBF C[C@@H]1CC[N@@+]2(C)CCc3c([nH]c4ccccc34)[C@@H]2C1 261101983 GNYLBMQRZQXDNA-GFJSAUFNSA-N 255.385 3.642 5 1 CHBF COc1cccc2c3cccc(OC)c3c3[nH]cnc3c12 13219282 YHVDSLJVICOSOM-UHFFFAOYSA-N 278.311 3.887 5 3 CHBF COc1ccc2c([N+](=O)[O-])c(-c3ccccc3)[nH]c2c1 206038213 QHPMHDYLUWGTED-UHFFFAOYSA-N 268.272 3.752 5 3 CHBF COc1c(CO)cc(OC)c2c(OC)c3ccccc3cc12 14775032 AUXAAYLMDQYKOU-UHFFFAOYSA-N 298.338 3.511 5 1 CHBF COc1cc2c3occc3c(=O)oc2c2ccccc12 35034136 LQPQPCLKLRFDQX-UHFFFAOYSA-N 266.252 3.701 5 1 CHBF C[N+](C)(C)Cc1cn(Cc2ccc(O)cc2)c2ccccc12 103300497 RTEIKCPHPAQRML-UHFFFAOYSA-O 295.406 3.601 5 1 CHBF CCCC/C=C/c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 587965562 MZTOXCHZALVSKB-VOTSOKGWSA-N 259.309 3.983 5 1 CHBF Cc1cc(C=Cc2ccccc2N)c([N+](=O)[O-])cc1[N+](=O)[O-] 2356875717 BTJRRYMDLAROMV-UHFFFAOYSA-N 299.286 3.564 5 1 CHBF C=Cc1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 586880902 IFLCTIVPVRZOBL-UHFFFAOYSA-N 265.272 3.781 5 1 CHBF CC1=CC[C@H](c2nnc(C)o2)[C@H](c2ccc([N+](=O)[O-])cc2)C1 209444 NOUCIWSLYZNDKD-GJZGRUSLSA-N 299.330 3.894 5 1 CHBF C[C@@H](Cc1ccccc1)[N+](C)([O-])Cc1ccccc1 6021063 LXPCOISGJFXEJE-BUSXIPJBSA-N 255.361 3.762 5 1 CHBF in-man CN(C)c1cc(N)c2c(n1)[nH]c1c3ccccc3ccc12 42920746 CFVFARBJCQHGGR-UHFFFAOYSA-N 276.343 3.518 5 1 CHBF Cc1c(-c2ccc(F)cc2O)[nH]c2cc([N+](=O)[O-])ccc12 587645413 AVMPJUWNOWMVDD-UHFFFAOYSA-N 286.262 3.896 5 1 CHBF O=[N+]([O-])c1ccc(C2=NO[C@H](c3ccc(F)cc3)C2)cc1 98082257 HPONFDZDVLEMPI-HNNXBMFYSA-N 286.262 3.600 5 1 CHBF CCc1c(C(=O)O)[nH]c2c([N+](=O)[O-])cc(CC(C)C)cc12 103242890 JYGIXLKTYDBWLP-UHFFFAOYSA-N 290.319 3.535 5 1 CHBF CCC(CC)C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279404 JCXWZUMQOJDAGW-UHFFFAOYSA-N 261.277 3.960 5 1 CHBF CN(C)CCC[N+]1([O-])c2ccccc2CCc2ccccc21 1678359 CADMPLPEJHVVFU-UHFFFAOYSA-N 296.414 3.874 5 1 CHBF in-vitro O=[N+]([O-])c1ccc([C@@H]2CN3CCC[C@H]3c3ccccc32)cc1 28089999 NEBIUZBZGRZRHR-ROUUACIJSA-N 294.354 3.877 5 1 CHBF CN1O[C@H](CO)C[C@@H]1c1cc2ccccc2c2ccccc12 28566685 KWQPICNTGPAZRM-IFXJQAMLSA-N 293.366 3.662 5 1 CHBF Cc1c(-c2ccccc2)[nH]c2c(O)ccc([N+](=O)[O-])c12 72113422 NNQIJCZMEQCVIB-UHFFFAOYSA-N 268.272 3.757 5 1 CHBF CC(C)=CCC[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1 238767638 NASKHWUBMLAQKD-GFCCVEGCSA-N 277.320 3.887 5 1 CHBF O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)c[nH]2)cc1 34514438 NVMIEUCZOPTAMD-UHFFFAOYSA-N 265.272 3.652 5 1 CHBF Cc1ccc2[nH]c(-c3cscn3)c([N+](=O)[O-])c2c1 206038239 BHHAKHZFHNYDTJ-UHFFFAOYSA-N 259.290 3.508 5 3 CHBF Cc1oc(-c2nc3c(cnc4ccccc43)[nH]2)cc1[N+](=O)[O-] 587268631 HMMKWGPPWRDJIY-UHFFFAOYSA-N 294.270 3.588 5 1 CHBF COc1ccc2nc3ccc4cn(C)ccc4c3c2c1 377386498 IPKMQSPWZBVTRS-UHFFFAOYSA-N 262.312 3.888 5 1 CHBF O=[N+]([O-])c1ccc(-c2ccc(-c3ccccn3)nc2)cc1 26815558 MFHXIVGZDFYNDM-UHFFFAOYSA-N 277.283 3.719 5 1 CHBF O=[N+]([O-])c1cccc(-c2ncc(-c3ccccc3)[nH]2)c1 40395836 DIHAAICMOKNHQT-UHFFFAOYSA-N 265.272 3.652 5 1 CHBF CC[C@@H](C)CNc1cc(-c2cccc([N+](=O)[O-])c2)ncn1 82160574 JEYPKSFSIONZPP-LLVKDONJSA-N 286.335 3.510 5 1 CHBF COc1ccc2oc3ccc(Cl)cc3c(=O)c2c1 73166442 QBXUIADKIFXNFY-UHFFFAOYSA-N 260.676 3.608 5 1 CHBF O=C(c1cc([N+](=O)[O-])ccc1F)c1coc2ccccc12 587281065 SHNGGUOSXHZVNL-UHFFFAOYSA-N 285.230 3.711 5 1 CHBF O=[N+]([O-])c1cccc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c12 586888386 ITDWCLZIGNSMGB-UWCDFFNFSA-N 297.358 3.939 5 1 CHBF CC1(C)C=C(N2CCCCC2)c2sc([N+](=O)[O-])cc2O1 101321033 BIUJIJARDSRAFL-UHFFFAOYSA-N 294.376 3.654 5 1 CHBF Cc1cccc2c1ccc1c(=O)c3c(oc12)C(=O)OC[C@H]3C 14689981 JKXNGDLZOMUEBL-SNVBAGLBSA-N 294.306 3.529 5 1 CHBF biogenic,in-vitro CCc1c(-c2ccc(N)cc2)[nH]c2cccc([N+](=O)[O-])c12 587647935 UJQOXKDDOFQXOR-UHFFFAOYSA-N 281.315 3.888 5 1 CHBF C[n+]1c2cc(Cl)ccc2cc2[nH]c3ccccc3c21 28476554 BTTDLYDDKRUEAK-UHFFFAOYSA-O 267.739 3.952 5 1 CHBF CC(=O)N1c2ccccc2Sc2cc([N+](=O)[O-])ccc21 84654581 SRWCFWYMQYEDIP-UHFFFAOYSA-N 286.312 3.744 5 1 CHBF Cc1c(O)c(C)c2oc(=O)c3cccc4ccc1c2c43 14690251 TVBFRYCGWYXLGF-UHFFFAOYSA-N 264.280 3.860 5 1 CHBF O=[N+]([O-])c1cccc(-c2cc3c4c(cccc4n2)CC3)c1 587211034 KFGBCBOBAZHHFO-UHFFFAOYSA-N 276.295 3.909 5 1 CHBF c1cnc2c3[nH]cc4[nH]c5ccccc5c4c-3nc2c1 100640720 DLEZDQQOGQGPDX-UHFFFAOYSA-N 258.284 3.697 5 1 CHBF COc1ccc2nc3ccc(CO)cc3c(Cl)c2c1 58582606 SVADWGDAYUSWBI-UHFFFAOYSA-N 273.719 3.542 5 1 CHBF CCc1c(-c2ccc(N)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587648056 ZMHUVIHICUHZEP-UHFFFAOYSA-N 281.315 3.888 5 1 CHBF C[n+]1c2ccccc2cc2[nH]c3cccc(Cl)c3c21 66166858 KIKNZZGHCNGHAT-UHFFFAOYSA-O 267.739 3.952 5 1 CHBF O=c1cc2oc3c(ccc4ccccc43)nc-2c2cccnc12 36475992 BXBNBMJXSMUYTR-UHFFFAOYSA-N 298.301 3.994 5 1 CHBF O=[N+]([O-])c1ccc2[nH]c(/C=C/c3ccsc3)nc2c1 57825810 LYWCISNZIIZPMG-DAFODLJHSA-N 271.301 3.703 5 1 CHBF O=[N+]([O-])c1cc(Cl)ccc1-c1ccsc1[N+](=O)[O-] 103207049 XCXJLJOKDXXREF-UHFFFAOYSA-N 284.680 3.885 5 1 CHBF O=[N+]([O-])c1ccc2nc(Nc3cccc(O)c3)sc2c1 58554779 YVHFWFRFJKOCCU-UHFFFAOYSA-N 287.300 3.654 5 1 CHBF C[C@]1(c2ccccc2)CC(c2cccc([N+](=O)[O-])c2)=NO1 6442079 OQPBEHCWTUHRJG-MRXNPFEDSA-N 282.299 3.635 5 1 CHBF O=[N+]([O-])c1cc2nc(C=C3CCC3)[nH]c2cc1Cl 587964551 CCXKZSUMCIODQH-UHFFFAOYSA-N 263.684 3.692 5 1 CHBF Cc1cc(C)cc(OCc2nc3cccc([N+](=O)[O-])c3[nH]2)c1 587564650 NSQBDAIVMTXIKN-UHFFFAOYSA-N 297.314 3.667 5 1 CHBF CCn1ncc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C)c1C 587647404 GVVSKMLWLRMHAP-UHFFFAOYSA-N 284.319 3.576 5 1 CHBF Cc1ccc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2c1 587160239 NPMHMDQUFPXKNZ-UHFFFAOYSA-N 271.251 3.586 5 1 CHBF COc1cc(O)c2c(ccc3cc(OC)c(OC)cc32)c1 150133917 OJXFCMHKFIMBEM-UHFFFAOYSA-N 284.311 3.724 5 1 CHBF Cc1cc2[nH]c(-c3ccoc3C3CC3)nc2cc1[N+](=O)[O-] 586902191 VNAPZQGUNFBWPL-UHFFFAOYSA-N 283.287 3.917 5 1 CHBF CC(C)[C@@]1(C)CCCc2c1cc([N+](=O)[O-])c(F)c2[N+](=O)[O-] 103192333 PYUZJTKDPCVTDY-CQSZACIVSA-N 296.298 3.892 5 1 CHBF O=[N+]([O-])c1cccc(-c2ccc3cc(F)ccc3n2)c1 40380187 KBCWZIJEKXTTSL-UHFFFAOYSA-N 268.247 3.949 5 1 CHBF O=[N+]([O-])c1ccc([C@H]2Nc3ccccc3[C@H]3OCC[C@@H]23)cc1 203716909 DCYCWGRAMMIOGJ-USXIJHARSA-N 296.326 3.839 5 1 CHBF O=[N+]([O-])c1c(O)cccc1-c1cc2c3c(cccc3n1)CC2 587211866 XVYGGFMDWMUPMF-UHFFFAOYSA-N 292.294 3.614 5 1 CHBF O=[N+]([O-])c1c[nH]cc1-c1ccc(Cl)c(Cl)c1 6525302 QXRUCCDIYORSIZ-UHFFFAOYSA-N 257.076 3.897 5 1 CHBF CC(C)c1nc2cc3cccnc3c(Cl)c2nc1O 73387869 JBLWQLQMADAKQT-UHFFFAOYSA-N 273.723 3.660 5 1 CHBF Cc1c(-c2ccc(O)c(F)c2)[nH]c2cc([N+](=O)[O-])ccc12 587646135 UMWBPTNPVMIQFW-UHFFFAOYSA-N 286.262 3.896 5 1 CHBF O=[N+]([O-])c1cccc2c1Cc1c-2nc2cccc3c2c1CC3 587211354 PYZBQGBSTLDMAJ-UHFFFAOYSA-N 288.306 3.813 5 1 CHBF Cn1c([N+](=O)[O-])cnc1/C=C/c1ccc2ccccc2c1 14180934 OVOXYFCCLZWVHT-VQHVLOKHSA-N 279.299 3.652 5 1 CHBF CC[N+](CC)(CC)Cc1cc2ccccc2n1C(=O)OC 1633592 MXACPUIAWDLCPE-UHFFFAOYSA-N 289.399 3.632 5 1 CHBF C=Cc1ccc(-c2nc3c([N+](=O)[O-])cccc3[nH]2)cc1 586882097 TWNDIRHLUIHCHI-UHFFFAOYSA-N 265.272 3.781 5 1 CHBF Cc1ccnc2[nH]c3cc(C(C)C)ccc3c(=O)c12 63539529 NMHMCXTYPRADBA-UHFFFAOYSA-N 252.317 3.508 5 1 CHBF Cc1cc(-c2nc3c([N+](=O)[O-])cccc3o2)cc(C)c1O 1772572311 UPKRZBDXHYEPAA-UHFFFAOYSA-N 284.271 3.725 5 1 CHBF O=[N+]([O-])c1ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3)[nH]c2c1 587162255 INKQJGUHDMHVFW-QWHCGFSZSA-N 297.289 3.881 5 1 CHBF CC(C)=CCc1ccc(O)c2nc3cccc(O)c3nc12 2356341016 DMFRYLWCEVZIEN-UHFFFAOYSA-N 280.327 3.703 5 1 CHBF O=C(Cc1ccccc1F)c1coc2cc([N+](=O)[O-])ccc12 587280117 JXDCVTZWFBOLPV-UHFFFAOYSA-N 299.257 3.906 5 1 CHBF Cc1cc(N2C[C@@H](C)C[C@H](C)C2)nc2ccc([N+](=O)[O-])cc12 20104830 WTIFPMCXNFARLP-RYUDHWBXSA-N 299.374 3.934 5 1 CHBF Nc1cc(/C=C/c2ccc([N+](=O)[O-])s2)nc2ccccc12 45187264 WWKUJMAYPBERME-AATRIKPKSA-N 297.339 3.957 5 1 CHBF COc1ccc2nc3c(ccc4c3cccn4C)c2c1 377806023 UPFBNKLWTISWLC-UHFFFAOYSA-N 262.312 3.888 5 1 CHBF CC(C)Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])o1 474609606 RATSWKJUSXYXJY-UHFFFAOYSA-N 288.303 3.639 5 1 CHBF O=Cc1c[nH]c2c1ccc1c3cccc(F)c3[nH]c12 64490587 VIRITAWLUCSUIP-UHFFFAOYSA-N 252.248 3.754 5 1 CHBF O=Cc1cc(-c2csc3ccccc23)cc([N+](=O)[O-])c1O 169699610 QOJZKZFDRHHCAA-UHFFFAOYSA-N 299.307 3.995 5 1 CHBF CCc1c(-c2ccccn2)[nH]c2cccc([N+](=O)[O-])c12 587649488 VVLNDJVECLDKTK-UHFFFAOYSA-N 267.288 3.701 5 1 CHBF C/C(NNc1ccc([N+](=O)[O-])cc1)=C1/C=Nc2ccccc21 13130835 XWCMRAZAXKMYIU-RVDMUPIBSA-N 294.314 3.658 5 3 CHBF CC(C)=CCc1c(O)cc(O)c2c(=O)c3ccccc3oc12 73294679 ABGJIAQFBKKJIR-UHFFFAOYSA-N 296.322 3.866 5 1 CHBF Cc1nc2cc3[nH]c4ccccc4c(=O)c3cc2s1 5504210 UYKDXAGVOUDQQR-UHFFFAOYSA-N 266.325 3.599 5 1 CHBF O=[N+]([O-])c1ccc(/C=C/c2nc3ccccc3[nH]2)s1 27084970 YLDZGYPAPFWWAI-FNORWQNLSA-N 271.301 3.703 5 1 CHBF COC(=O)c1ccccc1-c1cc2cc([N+](=O)[O-])ccc2[nH]1 40875521 MDUGWVFAVGDETC-UHFFFAOYSA-N 296.282 3.530 5 1 CHBF Cc1ccc(C)c(Nc2ncnc3ccc([N+](=O)[O-])cc23)c1 653716282 OUIXZIRKCIVDKX-UHFFFAOYSA-N 294.314 3.898 5 1 CHBF Cc1cc(C)c2[nH]c(-c3cc(F)cc([N+](=O)[O-])c3)nc2c1 587160662 YTJIJFIUNIAOTR-UHFFFAOYSA-N 285.278 3.894 5 1 CHBF CC[C@H](CO)Nc1nc2ccccc2c2ccccc12 31719272 JMLOZRUDDWTUHZ-GFCCVEGCSA-N 266.344 3.571 5 1 CHBF C[C@H](c1ccc2c(c1)oc(=O)c1ccccc12)N(C)C 220079751 LIZYKHYLXJGMFT-LLVKDONJSA-N 267.328 3.569 5 1 CHBF CC(C)=CCn1cc(CC[N+](C)(C)C)c2ccccc21 84687967 HIUSIUNCNRYZPO-UHFFFAOYSA-N 271.428 3.856 5 1 CHBF Cc1c(-c2cccc([N+](=O)[O-])c2)[nH]c2cc([N+](=O)[O-])ccc12 587647999 XPKAZWACCSEJBO-UHFFFAOYSA-N 297.270 3.960 5 1 CHBF CC1(C)C=Cc2c(cc(O)c3c(=O)c4ccccc4oc23)O1 96932854 IXSPMALLMDABPI-UHFFFAOYSA-N 294.306 3.836 5 1 CHBF N#Cc1cc2cnccc2c2[nH]c3ccc(F)cc3c12 217054272 MHURZKJMJCNXDR-UHFFFAOYSA-N 261.259 3.880 5 1 CHBF CCn1c2ccccc2c2c1cc1ccccc1[n+]2C 39063479 BUTMGRBZCDOCDO-UHFFFAOYSA-N 261.348 3.792 5 1 CHBF O=[N+]([O-])c1c(Nc2cccc(Cl)c2)ccc2nonc12 6526425 FUUWQJVNALIXDT-UHFFFAOYSA-N 290.666 3.528 5 1 CHBF CCc1cc2cc3cc(CC)c(N)cc3nc2cc1N 5140304 YMHUEYFGYIOCQL-UHFFFAOYSA-N 265.360 3.677 5 1 CHBF O=c1cc2oc3ccc4ccccc4c3nc-2c2cccnc12 36475978 ZDPHBEKEDYCRHN-UHFFFAOYSA-N 298.301 3.994 5 1 CHBF O=[N+]([O-])Cc1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])ccc12 587646867 ACNDFPQHRGRFJD-UHFFFAOYSA-N 297.270 3.520 5 1 CHBF O=c1c2ccc(O)cc2oc2c1sc1ccccc12 1486103 PVSPFDYRVIHMSL-UHFFFAOYSA-N 268.293 3.867 5 1 CHBF Cc1noc2cc3c(nc12)[nH]c1c(Cl)cccc13 95580649 KSBBQJMGYSESDB-UHFFFAOYSA-N 257.680 3.819 5 1 CHBF CC(C)Nc1cc(=O)c2ccc3ccccc3c2o1 136116088 DGHVIWBSBAHDQB-UHFFFAOYSA-N 253.301 3.767 5 1 CHBF Cc1cc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cs1 587279843 DBPKSCKFSYWFOE-UHFFFAOYSA-N 287.296 3.942 5 1 CHBF CCc1cc2c3ccccc3[nH]c2c2c[n+](C)ccc12 15205311 HZFCEPMBKBUOPU-UHFFFAOYSA-O 261.348 3.861 5 1 CHBF C[n+]1c2ccccc2cc2[nH]c3cc(Cl)ccc3c21 28472577 TUWMMMHSVQILMG-UHFFFAOYSA-O 267.739 3.952 5 1 CHBF COc1cc(CCN(C)C)c2ccc3ccccc3c2c1O 238765591 QZXYPJIKYJBSSC-UHFFFAOYSA-N 295.382 3.811 5 1 CHBF COc1c(Br)ccc2nc3ccccc3nc12 72108458 GRULYNODWCZUJS-UHFFFAOYSA-N 289.132 3.554 5 1 CHBF Cc1cccc(Oc2cc(O)nc3c([N+](=O)[O-])cccc23)c1 299865435 NTZASWLMJIXTKM-UHFFFAOYSA-N 296.282 3.949 5 1 CHBF Cc1ccc2[nH]c3c4ccccc4nc(C(=O)O)c3c2c1 473111464 ZOYFHKSBGNUZAO-UHFFFAOYSA-N 276.295 3.876 5 1 CHBF O[C@H]1C=Cc2c(ccc3c4c5c(cccc5cc23)C=C4)[C@@H]1O 6094506 MCTIAYJEJOIBHA-ICSRJNTNSA-N 286.330 3.898 5 1 CHBF CCOc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2N)cc1 587647774 PGJBZCMPCBMQHJ-UHFFFAOYSA-N 297.314 3.724 5 1 CHBF N[C@@H]1CCC[C@@H](c2cc(=O)c3ccc4ccccc4c3o2)C1 1857578948 LGISYBPZLMJKNX-ZIAGYGMSSA-N 293.366 3.931 5 1 CHBF Nc1cccc(Sc2ccc(Cl)cc2[N+](=O)[O-])c1 34488615 WTOKGNGZVMEDKF-UHFFFAOYSA-N 280.736 3.982 5 1 CHBF O=[N+]([O-])c1cccc(-c2c[nH]c(-c3ccccc3)n2)c1 34219624 UETFLPDACAHRSE-UHFFFAOYSA-N 265.272 3.652 5 1 CHBF O=C1c2ccccc2-c2nccc3c2c1nc1ccccc13 8115 SGZVAGOBRALNLJ-UHFFFAOYSA-N 282.302 3.994 5 1 CHBF O=[N+]([O-])c1cc(-c2cc3c4c(cccc4n2)CC3)ccc1O 587210800 IHBYWNTUCYIBAX-UHFFFAOYSA-N 292.294 3.614 5 1 CHBF Cc1ccccc1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279377 HSDAQCIEHLSFRO-UHFFFAOYSA-N 281.267 3.880 5 1 CHBF OCCCNc1c2ccccc2nc2c1[nH]c1ccccc12 13675784 JUEOQJVHSJPTPO-UHFFFAOYSA-N 291.354 3.664 5 1 CHBF O=C(Cc1cccc(F)c1)c1coc2cc([N+](=O)[O-])ccc12 587280083 IKXIJJRLPQDHNN-UHFFFAOYSA-N 299.257 3.906 5 1 CHBF Nc1ccccc1Sc1cc(Cl)ccc1[N+](=O)[O-] 299830293 IGGWQHHUOCJXFU-UHFFFAOYSA-N 280.736 3.982 5 1 CHBF O=[N+]([O-])c1cccc2nc([C@@H]3Cc4ccccc4S3)[nH]c12 587042966 WQZGIAXQBLQIPX-ZDUSSCGKSA-N 297.339 3.861 5 1 CHBF COc1cc2c3c(cc4ccccc4c3c1O)N(C)CC2 13434422 MHVZRDIFMMTICK-UHFFFAOYSA-N 279.339 3.700 5 1 CHBF O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2/C=C/CCCC[C@@H]21 169300805 ZPANZFWPFCWZHP-XSYIJBNSSA-N 286.331 3.526 5 1 CHBF CC(C)(Cl)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587009197 WQSNFTVVIQHTAE-UHFFFAOYSA-N 274.107 3.598 5 1 CHBF Cc1cccc2c1ccc1c(=O)c3c(oc12)C(=O)OC[C@@H]3C 14689983 JKXNGDLZOMUEBL-JTQLQIEISA-N 294.306 3.529 5 1 CHBF CC[N+](CC)(CC)CCC/C=C/I 28004980 CLVTWLZJCOHVPU-CSKARUKUSA-N 296.216 3.592 5 1 CHBF CCO[P@@](=O)(Oc1ccc([N+](=O)[O-])cc1)OC(C)C 28262928 PSUNTQOMZQDQME-LJQANCHMSA-N 289.224 3.543 5 1 CHBF NCCc1c[nH]c(-c2cc3ccccc3c3ccccc23)n1 28265400 HSUJUKZKTUASFA-UHFFFAOYSA-N 287.366 3.884 5 1 CHBF Cc1c(O)ccc2c1oc(=O)c1c(C)ccc(C)c12 28571114 ZTVCPFUWMHXMFT-UHFFFAOYSA-N 254.285 3.577 5 1 CHBF CC1(c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(F)F)CC1 587646081 JCWKIJHRFHBESV-UHFFFAOYSA-N 294.257 3.575 5 1 CHBF O=[N+]([O-])c1ccc(-c2noc(-c3occc3Cl)n2)cc1 13671432 VAJJDOMFYBTINV-UHFFFAOYSA-N 291.650 3.558 5 1 CHBF Cn1c2nc3ccccc3c-2cc2cc(F)ccc21 13475318 YZYSTHPRYOULBE-UHFFFAOYSA-N 250.276 3.970 5 1 CHBF Cn1c([N+](=O)[O-])cnc1/C=C/c1ccc(Cl)cc1Cl 40424479 CGSSBLUZWNMNFW-HWKANZROSA-N 298.129 3.806 5 1 CHBF CC1(C)Oc2ccc3c(cnc4ccccc43)c2O1 40846496 ONIQHEUHUPALRF-UHFFFAOYSA-N 251.285 3.895 5 1 CHBF O=c1c2ccccc2sc2c(Cn3ccnc3)cccc12 49036413 QHPHZBRQVQYOFQ-UHFFFAOYSA-N 292.363 3.660 5 1 CHBF in-vivo Oc1c(Cl)cc(Cl)c2nc3ccccc3nc12 584623158 OGRJMLJPYWKIMB-UHFFFAOYSA-N 265.099 3.795 5 1 CHBF CCc1[nH]c2ccc(F)c(Cl)c2c1C[C@@H](C)[N+](=O)[O-] 587631249 JNRYOZQBDNKTQH-SSDOTTSWSA-N 284.718 3.731 5 1 CHBF C[N+]1(C)CCC(Oc2ccccc2Cc2ccccc2)CC1 1772649922 GNOLTODBMIBGTO-UHFFFAOYSA-N 296.434 3.895 5 1 CHBF O=c1ccc2nc(-c3ccccc3)nn3c4ccccc4c1c23 95580543 MANXJZVZCMYUIX-UHFFFAOYSA-N 297.317 3.501 5 1 CHBF Cc1cnc(-c2cc3c4c(cccc4n2)CC3)c([N+](=O)[O-])c1 587211518 SCEBQFCTUXMBRD-UHFFFAOYSA-N 291.310 3.612 5 1 CHBF CCC[C@@H](C)C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279904 SXHOVYLKJRJFTN-SECBINFHSA-N 261.277 3.960 5 1 CHBF CN(C)[C@H]1Cc2ccccc2[C@H](c2ccc([N+](=O)[O-])cc2)C1 299853841 QUNKNGVNDXGLTG-WMZOPIPTSA-N 296.370 3.603 5 1 CHBF O=Cc1cc(-c2cc3ccccc3s2)cc([N+](=O)[O-])c1O 169699636 VMNYTGIXSPIFOD-UHFFFAOYSA-N 299.307 3.995 5 1 CHBF Cc1ccc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c(F)c1 587146874 ZEZOHOXZQHUGTE-UHFFFAOYSA-N 289.241 3.725 5 1 CHBF COc1cc2ccc3cc(OC)cc4c(=O)oc(c1)c2c34 238773717 HBHOLFWVNZQIRV-UHFFFAOYSA-N 280.279 3.554 5 1 CHBF CCc1nc2c(OC)cccc2c2cc(OC)cc(OC)c12 1911581212 LTTWFQJIFKMJQR-UHFFFAOYSA-N 297.354 3.976 5 1 CHBF O=[N+]([O-])c1cccc(C2=NO[C@H](C3CCCCC3)C2)c1 5808534 LIDYDCSVBDFIMT-HNNXBMFYSA-N 274.320 3.668 5 1 CHBF CCC[C@H](C)C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279905 SXHOVYLKJRJFTN-VIFPVBQESA-N 261.277 3.960 5 1 CHBF OCCNCc1ccc2ccc3cccc4ccc1c2c34 26466952 GVUPURHIEJTQEP-UHFFFAOYSA-N 275.351 3.666 5 1 CHBF CCOc1ccc(Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1 103288410 QYRVXVGUHOHDFY-UHFFFAOYSA-N 298.298 3.726 5 1 CHBF C[N+](C)(C)Cc1cn(Cc2cccc(O)c2)c2ccccc12 103300494 OCPCOEKRVXBLAL-UHFFFAOYSA-O 295.406 3.601 5 1 CHBF CCNC[C@@H](O)c1cc2ccccc2c2ccccc12 169326435 ZHYWXNYHUMASOT-GOSISDBHSA-N 265.356 3.636 5 1 CHBF O=[N+]([O-])c1cccc2nc(-c3ccoc3C3CC3)[nH]c12 586902228 WNSFBSZTBLSSKW-UHFFFAOYSA-N 269.260 3.609 5 1 CHBF C[C@H](Cc1ccccc1)[N+](C)([O-])Cc1ccccc1 4214062 LXPCOISGJFXEJE-NNJIEVJOSA-N 255.361 3.762 5 1 CHBF in-man O=c1cc(-c2ccccc2)c2cc3c(=O)ccoc3cc2o1 1631593 SOXMYYBQFNEUOF-UHFFFAOYSA-N 290.274 3.566 5 1 CHBF COc1c2ccccc2c(OC)c2nc(C)ccc12 1647985 AXQXCRLJVWJPMF-UHFFFAOYSA-N 253.301 3.714 5 1 CHBF O=[N+]([O-])c1cccc2nc([C@H]3Cc4ccccc4S3)[nH]c12 587042965 WQZGIAXQBLQIPX-CYBMUJFWSA-N 297.339 3.861 5 1 CHBF O=[N+]([O-])c1ccccc1C=Cc1ccccc1[N+](=O)[O-] 2356872395 RXUWVHYGEJQYBF-UHFFFAOYSA-N 270.244 3.673 5 1 CHBF O=[N+]([O-])c1ccc2[nH]c([C@H]3Cc4ccccc4S3)nc2c1 314961053 PQCLBEKBZUOREM-CQSZACIVSA-N 297.339 3.861 5 1 CHBF OCc1cc2ccc3c4ccccc4[nH]c3c2cc1O 40422670 HGNBRXZQFPKZEQ-UHFFFAOYSA-N 263.296 3.672 5 1 CHBF C[n+]1c2cccc(Cl)c2cc2[nH]c3ccccc3c21 66166290 DHQGOAGYGIVRJI-UHFFFAOYSA-O 267.739 3.952 5 1 CHBF Cc1c(F)cc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1F 587133312 SMCSLFXHEFVZOH-UHFFFAOYSA-N 289.241 3.725 5 1 CHBF Cc1ccc(Cl)c2c(=O)c3ccc(N)cc3sc12 102920769 BULFJEMLUBIIJI-UHFFFAOYSA-N 275.760 3.959 5 1 CHBF C[N@+]1(CCC(=O)c2ccccc2)CC[C@H]2CC[C@@H](C2)C1 254129082 CRFHUZSZRWPLEA-JTDSTZFVSA-N 272.412 3.526 5 1 CHBF Cc1c(F)ccc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c12 587270971 YNQGRYHLVOIULH-UHFFFAOYSA-N 299.305 3.704 5 1 CHBF CCCCC[C@H]1CC(=O)c2cc([N+](=O)[O-])ccc2O1 95553566 SMODZXZUANIGJI-NSHDSACASA-N 263.293 3.509 5 1 CHBF O=[N+]([O-])c1cncc2[nH]c(-c3ccc(C4CCC4)cc3)nc12 586883632 MFIVLIPHSYKMRU-UHFFFAOYSA-N 294.314 3.801 5 1 CHBF O=[N+]([O-])c1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1 29235083 NEBIUZBZGRZRHR-ZWKOTPCHSA-N 294.354 3.877 5 1 CHBF C[N+](C)(C)[C@H]1Cc2ccccc2[C@H](c2ccccc2)C1 26818479 DDJVCQZXVDKEPP-HKUYNNGSSA-N 266.408 3.840 5 1 CHBF CC[C@@H](C)c1nc2c(OC)cc3ccnc4ccn1c2c34 2356799518 UNRPNMKWWQSSHK-SNVBAGLBSA-N 279.343 3.996 5 1 CHBF C[N+]1(C)[C@H]2Cc3ccccc3[C@H]1Cc1ccccc12 102943609 AIORUBXFIDFMPZ-HDICACEKSA-N 250.365 3.658 5 1 CHBF CC[C@@]1(C)C[C@@H]1c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586890390 ORJOTUYXDMXVAB-UHLUBPPHSA-N 263.272 3.514 5 1 CHBF CC1(C)C(=O)Nc2ccc(-c3ccc([N+](=O)[O-])s3)cc21 13860674 JAVOWJGHPLYUGR-UHFFFAOYSA-N 288.328 3.553 5 1 CHBF Nc1cc(Cl)ccc1Sc1ccccc1[N+](=O)[O-] 299821713 LNYXRUJJXXQDTC-UHFFFAOYSA-N 280.736 3.982 5 1 CHBF c1ccc2c(c1)[nH]c1c[nH]c3c4cccnc4nc-3c12 100640717 ZDGLRCMEFVYZHG-UHFFFAOYSA-N 258.284 3.697 5 1 CHBF CCCC(=O)Nc1ccc2nc3ccccc3nc2c1 96935017 PKEQOMWQTRJSKO-UHFFFAOYSA-N 265.316 3.522 5 1 CHBF Cc1c(-c2ccccc2)[nH]c2c([N+](=O)[O-])ccc(O)c12 72112739 DDMAJPRNEXYVJM-UHFFFAOYSA-N 268.272 3.757 5 1 CHBF O=C(c1c(F)cccc1[N+](=O)[O-])c1coc2ccccc12 587280851 CQSCWUHDWILHRB-UHFFFAOYSA-N 285.230 3.711 5 1 CHBF CCCC/N=c1\cc(O)c2ccc3ccccc3c2o1 13676954 CFRWOCSRJKFPQW-FBMGVBCBSA-N 267.328 3.992 5 1 CHBF Cc1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1 587279753 QVZXYQZVPUWHKZ-UHFFFAOYSA-N 281.267 3.880 5 1 CHBF O=[N+]([O-])c1cccc2ccc(-c3nc4ccccc4[nH]3)nc12 1772572278 TVXGPYBQCCKJBK-UHFFFAOYSA-N 290.282 3.686 5 1 CHBF COc1ccc2c(c1)C[C@@H]1[C@@]3(CCCC[C@@H]23)CC[N+]1(C)C 95558851 VECGWUSFYLNHCH-OTWHNJEPSA-N 286.439 3.744 5 1 CHBF O=[N+]([O-])c1ccc(CCCNc2ccccc2)cc1 29209379 OMBIFCYZHLMWOA-UHFFFAOYSA-N 256.305 3.640 5 1 CHBF CC(=O)Nc1ccc2nc3cc4ccccc4n(C)c-3c2c1 135642643 ZTFINALEZGSIDP-UHFFFAOYSA-N 289.338 3.790 5 1 CHBF Cc1ccnc(-c2c(C)[nH]c3cccc([N+](=O)[O-])c23)c1 587648551 IBLONZUYPKGRCO-UHFFFAOYSA-N 267.288 3.755 5 1 CHBF O=Cc1c[nH]c2c1ccc1c3cc([N+](=O)[O-])ccc3[nH]c12 64564419 UJHXFAONXJTHBT-UHFFFAOYSA-N 279.255 3.523 5 1 CHBF CCCCC[n+]1ccc2c3ccccc3n3c(=O)ccc1c23 653806064 MUWALLUSLFBGPA-UHFFFAOYSA-N 291.374 3.521 5 1 CHBF CCOC(=O)c1cnc2c(ccc3ccccc32)c1 207444864 QOXUOIGQBDXNRU-UHFFFAOYSA-N 251.285 3.565 5 1 CHBF O=C(O)c1cccc2c1[nH]c1c3cc([N+](=O)[O-])ccc3oc21 26181990 PXAFFCCAYUWRBD-UHFFFAOYSA-N 296.238 3.674 5 1 CHBF O=[N+]([O-])/C=C/c1c[nH]c2cc(OCc3ccccc3)ccc12 9915756 CNEFAFFOYZAVCK-CMDGGOBGSA-N 294.310 3.994 5 1 CHBF O=[N+]([O-])c1cc2nc(-c3ccc(F)c(F)c3)[nH]c2cc1F 587145680 NORFSMMFDVSBCH-UHFFFAOYSA-N 293.204 3.555 5 1 CHBF C[C@H](C(=O)O)c1ccc2c(=O)c3ccccc3ccc2c1 6030354 CYCCNOGIPSEDOQ-NSHDSACASA-N 278.307 3.541 5 1 CHBF c1ccc2c(c1)cc1c3c(cc4c(c32)OCO4)CCN1 13434451 VNNKFCMTGJUPOQ-UHFFFAOYSA-N 263.296 3.690 5 1 CHBF endogenous,in-man O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2/C=C/CCCC[C@H]21 32692580 ZPANZFWPFCWZHP-XHNNRQEMSA-N 286.331 3.526 5 1 CHBF Cn1c2cc(O)ccc2c2ccc3cc(O)ccc3c21 27309877 DLIDFTRINMTGCL-UHFFFAOYSA-N 263.296 3.896 5 1 CHBF O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1[C@@H]2C=CCCCC[C@@H]21 100482170 ZPANZFWPFCWZHP-ILXRZTDVSA-N 286.331 3.526 5 1 CHBF O=[N+]([O-])Cc1[nH]c2cc(F)ccc2c1-c1ccccc1 587636138 RRHLVZCXHXJAFB-UHFFFAOYSA-N 270.263 3.751 5 1 CHBF CC1(C(=O)c2c(C(F)F)[nH]c3cccc([N+](=O)[O-])c23)CC1 587646241 LZXYDLAJYWDWRB-UHFFFAOYSA-N 294.257 3.997 5 1 CHBF Cc1ccc2c(c1)O[C@H](c1cccc([N+](=O)[O-])c1)CC2=O 75285975 OBTAQMIHVVJLBD-HNNXBMFYSA-N 283.283 3.610 5 1 CHBF CC(=O)Nc1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c12 587646478 BEIHBSDJVYBKKF-UHFFFAOYSA-N 295.298 3.702 5 1 CHBF O=[N+]([O-])c1ccc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 586890346 ONHCILGEEHMYCE-NDBFUVGKSA-N 297.358 3.939 5 1 CHBF CSc1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587644860 DWCJTSXYRPFGOE-UHFFFAOYSA-N 276.239 3.817 5 1 CHBF Cn1c2c3cccc([N+](=O)[O-])c3nc-2cc2ccccc21 59335030 PIGVRKSJWAKENN-UHFFFAOYSA-N 277.283 3.740 5 1 CHBF Cc1cc(N2C[C@H](C)C[C@@H](C)C2)nc2ccc([N+](=O)[O-])cc12 20104826 WTIFPMCXNFARLP-VXGBXAGGSA-N 299.374 3.934 5 1 CHBF O=C(c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12)C1CC1 587645257 MWGXKEQQNAMDDU-UHFFFAOYSA-N 298.220 3.688 5 1 CHBF COc1cccc2c1sn1c3ccccc3c(=O)cc21 16688 JGXHOGFWIMZSCZ-UHFFFAOYSA-N 281.336 3.676 5 1 CHBF O=[N+]([O-])c1ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3)[nH]c2c1 587162251 INKQJGUHDMHVFW-OLZOCXBDSA-N 297.289 3.881 5 1 CHBF Cc1cccnc1-c1[nH]c2cc([N+](=O)[O-])ccc2c1C 587648692 JPWOEKAIFKQEFA-UHFFFAOYSA-N 267.288 3.755 5 1 CHBF O=[N+]([O-])c1c(O)ccc2cc(-c3ccc(O)cc3)ccc12 13645031 MYVOVZDBAWARDP-UHFFFAOYSA-N 281.267 3.826 5 1 CHBF in-vivo CC[C@@H](C(=O)O)c1ccc2c(=O)c3ccccc3ccc2c1 39220562 AWEQLPUHWLIXIH-OAHLLOKOSA-N 292.334 3.931 5 1 CHBF Cc1c(-c2ccc(F)cn2)[nH]c2cccc([N+](=O)[O-])c12 587645901 NZNCSVKKARLASH-UHFFFAOYSA-N 271.251 3.586 5 1 CHBF CC[C@H](C)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587956239 OWZXOFDLFHCTJR-LURJTMIESA-N 253.689 3.638 5 1 CHBF OCCCNc1c2ccccc2nc2c1oc1ccccc12 13675792 WQUPVNRUKLIAQJ-UHFFFAOYSA-N 292.338 3.929 5 1 CHBF Oc1c2ccccc2nc2c3nc4ccccc4c-3ccn12 100960654 QOVHTUGVMJSCMP-UHFFFAOYSA-N 285.306 3.846 5 1 CHBF Cc1ccc(C)c(Cc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c1 587960219 YRVCKBWVFDBVAG-UHFFFAOYSA-N 295.342 3.987 5 1 CHBF O=[N+]([O-])CCc1c(-c2ccccc2)[nH]c2ccccc12 1857553665 BIJLQGYOWJVCKH-UHFFFAOYSA-N 266.300 3.654 5 1 CHBF O=[N+]([O-])c1cccc2[nH]cc(/C=C/c3cccnc3)c12 72106050 SLBNPFLXVGHABZ-VOTSOKGWSA-N 265.272 3.642 5 1 CHBF CCCC/C=C/c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587965295 JJJXNZFRKLGKLZ-AATRIKPKSA-N 263.272 3.814 5 1 CHBF O=C(c1ccccc1)n1c2ccccc2c(=O)c2ccccc21 13307609 JSCWWRYOWJWQIC-UHFFFAOYSA-N 299.329 3.843 5 1 CHBF CC1=NCC[N@@+]1(CCc1ccccc1)Cc1ccccc1 254075171 DSCWRLBFIKKWFK-NRFANRHFSA-N 279.407 3.678 5 1 CHBF CC[C@]1(C)C[C@@H]1c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586890388 ORJOTUYXDMXVAB-FUXBKTLASA-N 263.272 3.514 5 1 CHBF Cc1oc(-c2nc3c(F)cc(Cl)cc3[nH]2)cc1[N+](=O)[O-] 587269127 QLNDLVFVAGPIHV-UHFFFAOYSA-N 295.657 3.832 5 1 CHBF O=C(c1ccc(F)s1)c1coc2cc([N+](=O)[O-])ccc12 587280288 RGCYAXLDFWOQDD-UHFFFAOYSA-N 291.259 3.773 5 1 CHBF COc1ccc(-c2cc3cc([N+](=O)[O-])ccc3[nH]2)cc1 1518974 JXONNBPLBBGUMO-UHFFFAOYSA-N 268.272 3.752 5 1 CHBF O=c1oc2ccccc2c2nc3cc(F)c(F)cc3cc12 82152152 WUSHQXAKFQJMPE-UHFFFAOYSA-N 283.233 3.773 5 1 CHBF COc1ccc2oc(-c3ccc([N+](=O)[O-])o3)cc2c1 2017576 ZQQNGMTTWDPHPT-UHFFFAOYSA-N 259.217 3.610 5 1 CHBF CCOc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2N)cc1 587648009 XXYDREHCYXVLLV-UHFFFAOYSA-N 297.314 3.724 5 1 CHBF CC(=O)Nc1ccccc1Sc1sccc1[N+](=O)[O-] 299821772 MCBIWOWTAQRMJX-UHFFFAOYSA-N 294.357 3.766 5 1 CHBF CCCCn1c2cccc3cccc(c32)n2cnnc12 1772623687 QJWVPZTYGPMJIX-UHFFFAOYSA-N 264.332 3.637 5 1 CHBF COc1cc2ncc3cnc4ccccc4c3c2cc1OC 14969815 MYPDPFGUWAWZKF-UHFFFAOYSA-N 290.322 3.953 5 1 CHBF O=c1[nH]c2ccc(C(F)(F)F)cc2c2ccccc12 28645719 VMEWWDIKHSWIGD-UHFFFAOYSA-N 263.218 3.700 5 1 CHBF COC(=O)c1cc2c(c3c1ccc1ccccc13)OCO2 14591303 GASGYTMJYGZAFG-UHFFFAOYSA-N 280.279 3.508 5 1 CHBF O=[N+]([O-])c1cc(F)cc(-c2nc3ccc(F)c(F)c3[nH]2)c1 587160226 MXMMNULTYKPPIS-UHFFFAOYSA-N 293.204 3.555 5 1 CHBF O=[N+]([O-])c1cc(F)cc(-c2nc3cccc(Cl)c3[nH]2)c1 587160437 RPVFGRUCNBXCDU-UHFFFAOYSA-N 291.669 3.931 5 1 CHBF Cc1cc(F)c2[nH]c(CCc3cccc([N+](=O)[O-])c3)nc2c1 587270893 WDNUAMLWDTUWAP-UHFFFAOYSA-N 299.305 3.704 5 1 CHBF Cc1oc(-c2nc3cc(F)c(Cl)cc3[nH]2)cc1[N+](=O)[O-] 587268586 FVLVTERYOCYPDH-UHFFFAOYSA-N 295.657 3.832 5 1 CHBF Cc1cc(C)c2c(c1)c(=O)oc1c(C)c(O)ccc12 28571646 FMEFVOSLOWRVPQ-UHFFFAOYSA-N 254.285 3.577 5 1 CHBF O=C(c1cccc([N+](=O)[O-])c1)c1coc2ccccc12 587280495 HRDPWYLHNQPLDM-UHFFFAOYSA-N 267.240 3.572 5 1 CHBF O=c1cc([C@H]2CC[C@@H](O)CC2)oc2c1ccc1ccccc12 1857534511 RGHRTLYJUVLEBU-OKILXGFUSA-N 294.350 3.965 5 1 CHBF Cc1c2cc[n+](C)cc2c(C)c2c1[nH]c1ccccc12 1582057 VXRLUFPGDHFNHT-UHFFFAOYSA-O 261.348 3.916 5 1 CHBF COc1cc(O)c2c(=O)c3cc4ccccc4cc3oc2c1 28655180 SNKIPBOLCGONPW-UHFFFAOYSA-N 292.290 3.814 5 1 CHBF Cc1c2cc[n+](C)c(C)c2cc2c1[nH]c1ccccc12 1576501 OEKAAQGTAWUHFK-UHFFFAOYSA-O 261.348 3.916 5 1 CHBF C[N+](C)(C)CCCCCCCCCCC[N+](C)(C)C 2006807 GUZGFBIPZMQQFM-UHFFFAOYSA-N 272.521 3.910 5 1 CHBF CCCCC[C@@H]1CC(=O)c2cc([N+](=O)[O-])ccc2O1 95553565 SMODZXZUANIGJI-LLVKDONJSA-N 263.293 3.509 5 1 CHBF O=C(c1ccc(F)cc1)c1coc2cc([N+](=O)[O-])ccc12 587280231 PCMKBSSQKRYQCV-UHFFFAOYSA-N 285.230 3.711 5 1 CHBF Cn1cccc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 98084032 RTHLFHFSSWPIPH-UHFFFAOYSA-N 299.337 3.665 5 1 CHBF COc1cc2c(c3cnccc13)c1ccccc1n2C 17527 LICRTNKMYWQOOM-UHFFFAOYSA-N 262.312 3.888 5 1 CHBF Cc1cccc([N+](=O)[O-])c1C(=O)c1coc2ccccc12 587280525 IRMBBFSQZMZYIO-UHFFFAOYSA-N 281.267 3.880 5 1 CHBF Cc1cccnc1-c1[nH]c2cccc([N+](=O)[O-])c2c1C 587648522 GNQIMHUSGCYWOV-UHFFFAOYSA-N 267.288 3.755 5 1 CHBF OCCCNc1c2c3ccccc3nc-2oc2ccccc12 95575446 PETCDCWJZRGMED-UHFFFAOYSA-N 292.338 3.880 5 1 CHBF O=c1nc2n(c3cc4ccccc4cc13)Cc1ccccc1-2 518877 YEIPLPRQIZBGEN-UHFFFAOYSA-N 284.318 3.578 5 1 CHBF O=[N+]([O-])c1cc2[nH]c(-c3ccc(Cl)cc3)nc2cc1F 587068861 DQSUTJIYBXBWNE-UHFFFAOYSA-N 291.669 3.931 5 1 CHBF Cc1cc2[nH]c(/C=C\c3ccc(N)cc3)nc2cc1[N+](=O)[O-] 587252540 ZACZQWLMELTQGK-DAXSKMNVSA-N 294.314 3.532 5 1 CHBF O=C(c1ccc([N+](=O)[O-])c(F)c1)c1coc2ccccc12 587281018 PGPSEGYPQJXTFI-UHFFFAOYSA-N 285.230 3.711 5 1 CHBF O=[N+]([O-])c1cc(F)cc(-c2nc3ccc(Cl)cc3[nH]2)c1 587159990 ATUBPCBLDBEVBV-UHFFFAOYSA-N 291.669 3.931 5 1 CHBF O=[N+]([O-])c1cccc2c(-c3ccc(F)cc3)cc(O)nc12 299862853 KDGMUAZDQHAOTN-UHFFFAOYSA-N 284.246 3.655 5 1 CHBF Cc1cc2nc(-c3cccc([N+](=O)[O-])c3C)[nH]c2cc1F 587260880 KGVPFDGERPXFHP-UHFFFAOYSA-N 285.278 3.894 5 1 CHBF O=[N+]([O-])c1cccc2nc(-c3cc(S)ccc3F)[nH]c12 587142548 DZSXWTXTOBSFQX-UHFFFAOYSA-N 289.291 3.566 5 1 CHBF CCCc1nc2cc3nc4ccccc4nc3cc2[nH]1 299856906 DEXHRAHPKUAEDX-UHFFFAOYSA-N 262.316 3.612 5 1 CHBF O=[N+]([O-])Cc1[nH]c2cccc(F)c2c1-c1ccccc1 587635701 LURZMGOUCBLQDK-UHFFFAOYSA-N 270.263 3.751 5 1 CHBF Cc1c(-c2ccc(O)c(F)c2)[nH]c2cccc([N+](=O)[O-])c12 587646261 YYGZMIJUPGIYKE-UHFFFAOYSA-N 286.262 3.896 5 1 CHBF C=Cc1cc(O)c(C)c2ccc3oc(=O)ccc3c12 14492282 FRAVQEWNAHYTGR-UHFFFAOYSA-N 252.269 3.603 5 1 CHBF COc1c2ccccc2c(OC)c2cc(C=O)ccc12 15119260 DWRPPGLTMBNBPC-UHFFFAOYSA-N 266.296 3.823 5 1 CHBF C=Cc1cccc2c(=O)oc3c(C)c(O)ccc3c12 28571162 SJQIGIXIMHFJSV-UHFFFAOYSA-N 252.269 3.603 5 1 CHBF CC[C@@H](C(=O)OC[N+](CC)(CC)CC)c1ccccc1 27526366 JERDLZDHCYOSOH-MRXNPFEDSA-N 278.416 3.557 5 1 CHBF O=[N+]([O-])c1c(Br)ccc2nc(C3CCC3)[nH]c12 586883350 BKIBREUHJPMOAS-UHFFFAOYSA-N 296.124 3.501 5 1 CHBF Cc1ccc(O)c(-c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)c1 73220246 VNEUYJIONLUYIO-UHFFFAOYSA-N 295.298 3.666 5 1 CHBF COc1cccc2c1[nH]c1c3ccccc3nc(C(=O)O)c21 473109843 TWECFLXNJZAZBE-UHFFFAOYSA-N 292.294 3.576 5 1 CHBF O=c1c2c(cc3c4[nH]c5ccccc5c4ccn13)CCCC2 14695553 DXBKHLCWCLNLMS-UHFFFAOYSA-N 288.350 3.813 5 1 CHBF C[C@H]1Nc2ccc3cc4ccccc4nc3c2CO1 40763302 XYPQFXMKQKQDAG-JTQLQIEISA-N 250.301 3.676 5 1 CHBF O=C(O)c1cc(=O)c2c(ccc3sc4ccccc4c32)[nH]1 149041270 IPJTYUKFRVNJCL-UHFFFAOYSA-N 295.319 3.594 5 1 CHBF CCOc1cc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)ccc1C 587779850 GWKCMBCPJZTAGJ-UHFFFAOYSA-N 297.314 3.845 5 1 CHBF CC1(C)C[C@@H]2C[C@](C)(CN2Cc2cccc([N+](=O)[O-])c2)C1 100411879 GQOSNBDGQBEHJN-WBVHZDCISA-N 288.391 3.995 5 1 CHBF Cc1c(-c2cc(F)ccc2O)[nH]c2cccc([N+](=O)[O-])c12 587645562 CMSIIAGWPMCDLE-UHFFFAOYSA-N 286.262 3.896 5 1 CHBF C[N+](C)(C)[C@@H]1Cc2ccccc2[C@H](c2ccccc2)C1 13557325 DDJVCQZXVDKEPP-MJGOQNOKSA-N 266.408 3.840 5 1 CHBF O=c1cc(NC2CC2)c2ccc3ccccc3c2o1 53294975 BKSGXVIHEZEAJV-UHFFFAOYSA-N 251.285 3.521 5 1 CHBF Cc1csc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c1 587280153 LLJPZQLLGIFSPY-UHFFFAOYSA-N 287.296 3.942 5 1 CHBF COc1cc([C@H](C)N(C)C)c2c(c1)oc(=O)c1ccccc12 220079922 SCSRJMKBYZFLKJ-NSHDSACASA-N 297.354 3.577 5 1 CHBF Cc1c(-c2nc3cc(F)cc(F)c3[nH]2)cccc1[N+](=O)[O-] 587260865 JSPXYKQYXAWZAZ-UHFFFAOYSA-N 289.241 3.725 5 1 CHBF CC(C)Oc1ccccc1-c1nc2cc([N+](=O)[O-])ccc2[nH]1 49807585 NPFKVFVNAVRIND-UHFFFAOYSA-N 297.314 3.925 5 1 CHBF O=P(O)(O)COc1cccc2c1ccc1ccccc12 13836398 KIFQWEWIGQDLHO-UHFFFAOYSA-N 288.239 3.507 5 1 CHBF COC[n+]1ccc2c(C)c3[nH]c4ccccc4c3c(C)c2c1 26279731 FBUGIRDRYWCDEC-UHFFFAOYSA-O 291.374 3.983 5 1 CHBF COc1ccc2c(c1)cc1c3ccccc3nc-1n2C 13475313 AACFSBCTWSPSLM-UHFFFAOYSA-N 262.312 3.840 5 1 CHBF O=c1[nH]c2nccc(Nc3ccccc3)c2c2ccccc12 96269778 ONKLLWFAONHNLU-UHFFFAOYSA-N 287.322 3.820 5 1 CHBF COc1cc(-c2ccc([N+](=O)[O-])c(O)c2)nc2ccccc12 73388646 URUGBHQRCUODRG-UHFFFAOYSA-N 296.282 3.524 5 1 CHBF Cc1ccc2nc3c4c(nccc4c2c1)-c1ncccc1C3=O 27203690 XQDQFRGZXXSQCO-UHFFFAOYSA-N 297.317 3.698 5 1 CHBF CCCCn1c(=O)c2ccccc2c2ccccc21 49071200 ZVLMEBRSAAPUQR-UHFFFAOYSA-N 251.329 3.955 5 1 CHBF CCCC/C=C/c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587966814 XYBXDZLIOKDPAE-AATRIKPKSA-N 290.279 3.583 5 1 CHBF O=[N+]([O-])c1cnc2nc(-c3ccc(C4CCC4)cc3)[nH]c2c1 586883147 HEMHEHMRDYLICO-UHFFFAOYSA-N 294.314 3.801 5 1 CHBF C[n+]1cc2[nH]c3ccccc3c2c2[nH]c3ccccc3c21 26401088 WFCKBBCTSSIZCQ-UHFFFAOYSA-O 272.331 3.780 5 1 CHBF N[C@H]1CC[C@@H](c2cc(=O)c3ccc4ccccc4c3o2)CC1 1857564549 DDALGKXJVKLEBY-OKILXGFUSA-N 293.366 3.931 5 1 CHBF C[N+](C)(C)/C=C\c1c[nH]c2cc(Br)ccc12 215962149 AWHASJFJHGQPOV-SREVYHEPSA-N 280.189 3.607 5 1 CHBF CCN(CC)[C@H]1SC=C(c2ccc([N+](=O)[O-])cc2)S1 49019760 LUYVNJCOXHAMAL-ZDUSSCGKSA-N 296.417 3.999 5 1 CHBF O=C1Nc2ccccc2/C1=C/C=C/c1ccc([N+](=O)[O-])cc1 474603550 CPNUDRZQULAFCT-FLUHZAPOSA-N 292.294 3.644 5 1 CHBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1N1CCCC[C@H]1C 587648251 AIIPVCHKKGFNRL-SNVBAGLBSA-N 273.336 3.763 5 1 CHBF C[C@@H]1CC=CC[C@H]1c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587967937 UULRVRRYJDEJBJ-RKDXNWHRSA-N 275.283 3.680 5 1 CHBF O=[N+]([O-])c1ccc2[nH]c(Nc3ccc(Cl)cc3)nc2c1 40866810 PXKLOZCDWJJDCY-UHFFFAOYSA-N 288.694 3.868 5 1 CHBF O=[N+]([O-])c1ccc(Nc2cc(F)cc(F)c2)c([N+](=O)[O-])c1 1857561797 NUAYUCPDNJMFBG-UHFFFAOYSA-N 295.201 3.525 5 1 CHBF O=[N+]([O-])c1cc(O)c2cc(-c3ccc(F)cc3)[nH]c2c1 72112989 BWZOGZOKNKJDOZ-UHFFFAOYSA-N 272.235 3.588 5 1 CHBF Cc1c2cc[n+]([O-])c(C)c2cc2c1[nH]c1ccccc12 1714954 XEHXABPHDHGUCH-UHFFFAOYSA-N 262.312 3.725 5 1 CHBF Cc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2N)cc1 587647444 IQLNJYRLKNDAGC-UHFFFAOYSA-N 267.288 3.634 5 1 CHBF Cc1cccc2c(=O)cc(-c3ccc([N+](=O)[O-])cc3)oc12 103169370 VTFYBBSHZWNPBA-UHFFFAOYSA-N 281.267 3.677 5 1 CHBF Nc1c(-c2ccc(Cl)cc2)[nH]c2cccc([N+](=O)[O-])c12 587644908 QQRYICIUEMXJPK-UHFFFAOYSA-N 287.706 3.979 5 1 CHBF N[C@H]1CC[C@H](c2cc(=O)c3ccc4ccccc4c3o2)CC1 1857535271 DDALGKXJVKLEBY-HDJSIYSDSA-N 293.366 3.931 5 1 CHBF O=[N+]([O-])c1ccc2[nH]cc(/C=C/c3cccnc3)c2c1 72106820 IGQVCJNBWNPMGB-ONEGZZNKSA-N 265.272 3.642 5 1 CHBF O=C(O)c1cccc2sc3cc(Cl)ccc3c(=O)c12 36382285 JFMRVVRXIHFIJO-UHFFFAOYSA-N 290.727 3.766 5 3 CHBF COc1ccc2c(C(=O)O)cc3ccccc3c2c1OC 1620018 VWWCKIFSQVBURI-UHFFFAOYSA-N 282.295 3.708 5 1 CHBF Cc1c(CC[C@@H](C)[N+](=O)[O-])[nH]c2cc(Cl)c(F)cc12 587631356 KCYNBKCFYBPWNO-SSDOTTSWSA-N 284.718 3.867 5 1 CHBF CC[C@H](C)CNc1cc(-c2cccc([N+](=O)[O-])c2)ncn1 82160578 JEYPKSFSIONZPP-NSHDSACASA-N 286.335 3.510 5 1 CHBF O=[N+]([O-])c1ccc(COCc2ccc(Cl)cc2)cc1 1857559142 QDGMWHJOVZAMDU-UHFFFAOYSA-N 277.707 3.965 5 1 CHBF Cc1cc2[nH]c3c(c[n+](C)c4ccccc34)c2cc1C 1019600 VWKXPFOCCSQQOA-UHFFFAOYSA-O 261.348 3.916 5 3 CHBF OCCCNc1nc2ccccc2c2[nH]c3ccccc3c12 169309446 TWSGAPZVDKEWAI-UHFFFAOYSA-N 291.354 3.664 5 1 CHBF CCc1c(-c2cccnc2)[nH]c2cc([N+](=O)[O-])ccc12 587648693 JURFARZMDDDXAR-UHFFFAOYSA-N 267.288 3.701 5 1 CHBF CCc1ccc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2c1 587160038 DBVVFPVAUGROCE-UHFFFAOYSA-N 285.278 3.840 5 1 CHBF O=[N+]([O-])c1ccc(Cn2ccnc2)c(Oc2ccccc2)c1 49036153 JIPGEBKJKOMJSL-UHFFFAOYSA-N 295.298 3.632 5 1 CHBF in-vivo COC(=O)c1c2nc3ccccc3c-2n(C)c2ccccc12 14517305 GFMDRMJHODBOSU-UHFFFAOYSA-N 290.322 3.618 5 1 CHBF O=[N+]([O-])c1cnc2c(c1)Sc1cccc(Cl)c1N2 1857635472 CQTXWTAYMKHLIR-UHFFFAOYSA-N 279.708 3.851 5 1 CHBF COc1ccc2nc3c4ccn(C)cc4ccc3c2c1 377423468 BRGKMBTZHPAZFZ-UHFFFAOYSA-N 262.312 3.888 5 1 CHBF Cc1cc2nc(-c3cc([N+](=O)[O-])c(C)o3)[nH]c2cc1C 587269626 WWGKPLSSAVFVAL-UHFFFAOYSA-N 271.276 3.656 5 1 CHBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1ccccc1F 587645467 BLWNBYPOPZKXII-UHFFFAOYSA-N 298.273 3.755 5 1 CHBF O=[N+]([O-])c1ccc(/C=C/c2ccc3cccc(O)c3n2)o1 33847584 PEDMQXHJKBSKGD-VOTSOKGWSA-N 282.255 3.612 5 1 CHBF CC1=C[C]2N(C=C1)C=C(C)N2Cc1ccccc1[N+](=O)[O-] 2356867239 RGMYXESPECLKCP-UHFFFAOYSA-N 282.323 3.537 5 1 CHBF C/C=C1/C[N+]23CCc4c([nH]c5ccccc45)[C@@]2(C)[C@H]1CC3 34827369 YKFXXRDKXYTPFL-PBQVUPGISA-N 279.407 3.736 5 1 CHBF O=[N+]([O-])c1ccccc1-c1cc(-c2ccccc2)on1 34223764 HEZZBCYKMAAING-UHFFFAOYSA-N 266.256 3.917 5 3 CHBF CC(C)Oc1c2cc([N+](=O)[O-])ccc2nn1-c1ccccc1 95573581 KMIKKEPEYAAQEA-UHFFFAOYSA-N 297.314 3.721 5 1 CHBF CCCc1c2[nH]c3ccccc3nc-2c2c(c1=O)CCCC2 101999050 HRVASPXQLHHKPI-UHFFFAOYSA-N 292.382 3.859 5 1 CHBF C[C@@H]1CC[N@@+]2(C)CCc3c([nH]c4ccccc34)[C@H]2C1 261101982 GNYLBMQRZQXDNA-FXHACXQTSA-N 255.385 3.642 5 1 CHBF CC(=O)Nc1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])ccc12 587646950 NPMPHHFHTDIODR-UHFFFAOYSA-N 295.298 3.702 5 1 CHBF N[C@@H]1CCC[C@H](c2cc(=O)c3ccc4ccccc4c3o2)C1 1857578947 LGISYBPZLMJKNX-UONOGXRCSA-N 293.366 3.931 5 1 CHBF CCc1c(-c2cn(CC)nc2C)[nH]c2cccc([N+](=O)[O-])c12 587647924 TWRVQKTZWDTFHF-UHFFFAOYSA-N 298.346 3.830 5 1 CHBF COc1cc([C@H](C)N(C)C)cc2oc(=O)c3ccccc3c12 220072728 HGARWOYCHHRGRX-NSHDSACASA-N 297.354 3.577 5 1 CHBF O=[N+]([O-])c1cccc2nc(C(Cl)(Cl)Cl)ccc12 84655350 SBLZUOBSKOBHCD-UHFFFAOYSA-N 291.521 3.970 5 1 CHBF O=[N+]([O-])c1ccc(-c2nccc3ccccc23)cc1 2356844887 NCKCFKKDTKRSBR-UHFFFAOYSA-N 250.257 3.810 5 1 CHBF O=C(c1ccc([N+](=O)[O-])o1)c1coc2ccc(Cl)cc12 587278405 MATIVVLRCYUGQG-UHFFFAOYSA-N 291.646 3.818 5 1 CHBF COc1c(O)cc2c3c(cc4ccccc4c13)N(C)CC2 95597304 PJGGFHCGDNFLRX-UHFFFAOYSA-N 279.339 3.700 5 1 CHBF CCc1cn2ccc3c4ccccc4nc-3c2cc1CCO 198671171 XHUIUBANZNHJEL-UHFFFAOYSA-N 290.366 3.690 5 1 CHBF CC1=Nc2ccccc2/C1=C/NNc1ccc([N+](=O)[O-])cc1 104034216 CENGMNPBEWETHP-XNTDXEJSSA-N 294.314 3.658 5 3 CHBF Cc1cc2nc(-c3cc4c(s3)CCC4)[nH]c2cc1[N+](=O)[O-] 587036426 AZYYGLSDDDQQES-UHFFFAOYSA-N 299.355 3.997 5 1 CHBF COc1c2cc(C=O)ccc2c(OC)c2c(O)cccc12 14618644 ODKGHFABAWSKJE-UHFFFAOYSA-N 282.295 3.528 5 1 CHBF O=[N+]([O-])c1ccc2occ(-c3ccc4c(c3)OCO4)c2c1 1857577348 FFRIQILTIDJUOA-UHFFFAOYSA-N 283.239 3.737 5 1 CHBF COc1ccc2ccc3oc([N+](=O)[O-])cc3c2c1OC 2009203 WYFNATANRSCXOC-UHFFFAOYSA-N 273.244 3.511 5 1 CHBF C[N+](C)(CCO)COC1CCCCCCCCCCC1 103166885 SVQOXXYNYLGARL-UHFFFAOYSA-N 286.480 3.703 5 1 CHBF CC(C)=CCn1cc(C[N+](C)(C)C)c2ccccc21 84730172 CGZPKCDFLKXVFH-UHFFFAOYSA-N 257.401 3.814 5 1 CHBF Cc1ccc2oc(=O)c(-c3ccc([N+](=O)[O-])cc3)cc2c1 299830224 XGJDMHWEDXLYCE-UHFFFAOYSA-N 281.267 3.677 5 1 CHBF COc1cc([C@@H](C)N(C)C)cc2oc(=O)c3ccccc3c12 220072664 HGARWOYCHHRGRX-LLVKDONJSA-N 297.354 3.577 5 1 CHBF CCC(C)(C)C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279948 VTCVODDULOOUKN-UHFFFAOYSA-N 261.277 3.960 5 1 CHBF Cc1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)s1 587279836 CRXOOYZGZUIWPP-UHFFFAOYSA-N 287.296 3.942 5 1 CHBF CC1(c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(F)F)CC1 587646310 NKBZVTUMEJCNPI-UHFFFAOYSA-N 294.257 3.575 5 1 CHBF CCc1cc2c3c(cc(C)[n+]2nc1CC)[nH]c1ccccc13 29232762 XZNGNQAWANJVDQ-UHFFFAOYSA-O 290.390 3.888 5 1 CHBF COc1ccc(-c2cc(O)nc3c([N+](=O)[O-])cccc23)cc1 299861939 IWRGHLFCXGKDOQ-UHFFFAOYSA-N 296.282 3.524 5 1 CHBF O=[N+]([O-])c1cccc2nc([C@H]3C[C@@H]3c3cccc(F)c3)[nH]c12 587162856 MCVISORSBJMVDJ-NEPJUHHUSA-N 297.289 3.881 5 1 CHBF O=C1OCc2c3ccccc3nc3c4ccccc4n1c23 34460476 SFDUUZHSAMFNFS-UHFFFAOYSA-N 274.279 3.841 5 1 CHBF O=[N+]([O-])c1cccc2c(Nc3ccccc3)cc(O)nc12 299867895 QRMJKFVWLDJUMO-UHFFFAOYSA-N 281.271 3.592 5 1 CHBF CC[C@]1(C)C[C@H]1c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586890391 ORJOTUYXDMXVAB-WPPNPWJKSA-N 263.272 3.514 5 1 CHBF COC(=O)c1ccc(-c2cc3cc([N+](=O)[O-])ccc3[nH]2)cc1 40404172 XIZVYPIIYMFKHY-UHFFFAOYSA-N 296.282 3.530 5 1 CHBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1N1CCC[C@H](C)C1 587648491 FXEQGJSOUCMDNA-JTQLQIEISA-N 273.336 3.621 5 1 CHBF COc1cc(OC)c2c(ccc3cc(O)ccc32)c1 14651070 JMSVKBYLDVYHGG-UHFFFAOYSA-N 254.285 3.716 5 1 CHBF O=C(c1coc2cc([N+](=O)[O-])ccc12)C1CCCC1 587280249 POIDGIZHABYNAB-UHFFFAOYSA-N 259.261 3.714 5 1 CHBF COc1cccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)c1 49088920 MJQHVVSOAJNXNZ-UHFFFAOYSA-N 295.298 3.661 5 1 CHBF CC(=O)Nc1ccc2c(c1)nc1c3ccccc3ccn21 13219064 QWXPJFYLVPIYDS-UHFFFAOYSA-N 275.311 3.599 5 1 CHBF O=[N+]([O-])c1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H](c1ccccc1)N2 139032905 NDWLQARHOCEQCI-XKQJLSEDSA-N 296.326 3.839 5 1 CHBF Cc1c2ccccc2c(=O)n2c(-c3ccccn3)cccc12 13220988 ODAFQNKVXSIINS-UHFFFAOYSA-N 286.334 3.823 5 1 CHBF NCCCNc1c2c3ccccc3nc-2oc2ccccc12 95575430 JFSFRFHBKLWZNF-UHFFFAOYSA-N 291.354 3.847 5 1 CHBF CCc1ccc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2c1 587270854 VFIDZYGMEFLHTO-UHFFFAOYSA-N 295.342 3.819 5 1 CHBF O=C(Nc1ccccc1[N+](=O)[O-])OCC=Cc1ccccc1 1857741954 OZCYFXADSJBCHE-UHFFFAOYSA-N 298.298 3.857 5 1 CHBF Cc1cccc(C(=Cc2ccc([N+](=O)[O-])cc2)C(=O)O)c1 1857742019 QMLMIJKUDLZSBY-UHFFFAOYSA-N 283.283 3.528 5 1 CHBF O=C(c1c(C(F)F)[nH]c2cc([N+](=O)[O-])ccc12)C1CC1 587646182 LBLYKBWXPLFZHJ-UHFFFAOYSA-N 280.230 3.606 5 1 CHBF O=c1oc2ccccc2c2nc3c(F)c(F)ccc3cc12 73197783 UTIUNEICPMSDEW-UHFFFAOYSA-N 283.233 3.773 5 1 CHBF O=[N+]([O-])c1ccc(F)cc1-c1nc2ccccc2o1 71296205 UUDIVZONHFBBNF-UHFFFAOYSA-N 258.208 3.542 5 1 CHBF O=[N+]([O-])c1c[nH]cc1-c1cccc(Cl)c1Cl 6524967 BBORJSJIGHHHFN-UHFFFAOYSA-N 257.076 3.897 5 1 CHBF O=[N+]([O-])c1ccc(C2=Nc3ccccc3SC2)cc1 1720616 KSEFBZVXPCCQRC-UHFFFAOYSA-N 270.313 3.821 5 1 CHBF Cc1cc(F)c2[nH]c(-c3cccc([N+](=O)[O-])c3C)nc2c1 587260772 DTWSQFBOYDULHG-UHFFFAOYSA-N 285.278 3.894 5 1 CHBF CC(=O)Nc1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1 1857741969 KMYUHKCVKYYXKJ-UHFFFAOYSA-N 282.299 3.724 5 1 CHBF COc1ccc2c(c1)C[C@H]1[C@@]3(CCCC[C@@H]23)CC[N+]1(C)C 95558849 VECGWUSFYLNHCH-FHWLQOOXSA-N 286.439 3.744 5 1 CHBF CC[C@]1(C)C[C@@H]1c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 586892085 TWKIPKRHOYBOHE-YMTOWFKASA-N 259.309 3.683 5 1 CHBF Cc1ccc2nnn3c4ccccc4c(N=O)c3c2c1 26575338 NDGZLZBSZHCSCK-UHFFFAOYSA-N 262.272 3.742 5 1 CHBF O=[N+]([O-])c1ccccc1-c1cncn1C1CCCCC1 1911571392 NBLGMZGMWJDBGY-UHFFFAOYSA-N 271.320 3.964 5 1 CHBF CC1(C)C=Cc2cc3c(=O)c4ccccc4oc3c(O)c2O1 1857744818 JWUMCGRKTXMGHE-UHFFFAOYSA-N 294.306 3.836 5 1 CHBF COc1cc2cccnc2c2nc(C)c3ccoc3c12 40829059 OORCXOKZLVUYTL-UHFFFAOYSA-N 264.284 3.846 5 1 CHBF C[C@@H](c1ccc2c(c1)oc(=O)c1ccccc12)N(C)C 217118804 LIZYKHYLXJGMFT-NSHDSACASA-N 267.328 3.569 5 1 CHBF Cc1cc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2cc1F 587269513 FETMGMCXUJGYOJ-UHFFFAOYSA-N 299.305 3.704 5 1 CHBF CCCC[C@@H]1[C@@H](OC(C)=O)CCC[C@]12CCCC[N+]2(C)C 28004994 YXZDNOABRLUUIE-FGTMMUONSA-N 296.475 3.908 5 1 CHBF CCCC/C=C/C=C/C=C/[C@@H]1CC[C@H](O)[C@H](C)[N+]1(C)[O-] 95592319 LZZRCKFXUQNNGN-PZIHOPEQSA-N 279.424 3.701 5 1 CHBF