smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CS(=O)(=O)Nc1ccc2ccc3ncccc3c(=O)c2c1 72108446 ONNNEFWZGMQXPO-UHFFFAOYSA-N 300.339 2.120 5 1 DEBF CC(C)N1C[C@H]2C[C@@H](CN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 100833888 MEHYSILUYHYKPX-ZIAGYGMSSA-N 317.389 2.397 5 1 DEBF Cc1cnc(C)n1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 1857764747 QSKQBBKOYVMEEJ-LBPRGKRZSA-N 318.333 2.478 5 1 DEBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc3c(cc2[nH]1)OCO3 587268050 VZYZGRFUROHJCW-QMMMGPOBSA-N 315.289 2.314 5 1 DEBF COc1cccc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c12 587272789 AJZACERRIPMERT-VIFPVBQESA-N 301.306 2.480 5 1 DEBF CC1(C)Oc2ccc([N+](=O)[O-])cc2[C@@H](N2CCCC2=N)[C@@H]1O 27558626 XZFYBBLMCVJSGL-KGLIPLIRSA-N 305.334 2.241 5 1 DEBF Cc1cc(N(C)Cc2nc3cncnc3[nH]2)c([N+](=O)[O-])cc1F 587137361 WNMPKHHLMIHWNT-UHFFFAOYSA-N 316.296 2.345 5 1 DEBF O=[N+]([O-])c1ccc2nc(N3CCNCC3)c(CCCF)cc2c1 3819480 BOSJPIZMLDBYRP-UHFFFAOYSA-N 318.352 2.455 5 1 DEBF CC(=O)NC1(c2nc3cncc([N+](=O)[O-])c3[nH]2)CCC(C)CC1 587234131 GULXJTQKWKUQIY-UHFFFAOYSA-N 317.349 2.408 5 1 DEBF CN(C1=C(c2cccc([N+](=O)[O-])c2)C(=O)NC1=O)c1ccccc1 14946038 NPACVUDPISMSSR-UHFFFAOYSA-N 323.308 2.099 5 1 DEBF COC(=O)Nc1ccc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)cn1 587244658 HRSGKUIPBBCYJS-UHFFFAOYSA-N 314.261 2.106 5 1 DEBF Cn1nc([N+](=O)[O-])cc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587274994 PJAJEKZOSUMTTK-UHFFFAOYSA-N 323.215 2.193 5 1 DEBF O=[N+]([O-])c1cccc(CN[C@@]23O[C@@H]4[C@H]5[C@@H]2[C@@H]2[C@@H]6C[C@H]([C@@H]4[C@@H]63)[C@@H]52)c1 253674218 GKCCEHGRTWUFEG-FTBTZSRISA-N 310.353 2.167 5 1 DEBF COc1ccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2c1 587273593 MHMFVPRCVDKYIJ-UHFFFAOYSA-N 301.306 2.309 5 1 DEBF O=[N+]([O-])c1ccc(OCc2nc3ccnc(O)c3[nH]2)cc1F 587148137 BRVRLSKKTRRUTP-UHFFFAOYSA-N 304.237 2.290 5 1 DEBF CC1(C)OC[C@H](Cn2cc(-c3ccc([N+](=O)[O-])cc3)nn2)O1 1772596319 VKBKLQPBZALRBZ-LBPRGKRZSA-N 304.306 2.005 5 1 DEBF O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2C[C@H]3CC[C@@H]2C3)cc1 3896943 PQPQVZIFCZGIFQ-QJPTWQEYSA-N 310.375 2.309 5 1 DEBF COc1cc(OC)c2c(=O)c3cc(N)c(OC)cc3n(C)c2c1 45498600 KSZVGRAHNXOHES-UHFFFAOYSA-N 314.341 2.300 5 1 DEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cccc(F)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587264449 RUPSPCHWRPXTAV-KXUCPTDWSA-N 305.309 2.363 5 1 DEBF C[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 100387206 PIPAJLPNWZMYQA-BFYDXBDKSA-N 304.410 2.076 5 3 DEBF in-vitro COc1cccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c12 587262674 HGZNUAKSYJYOFV-VWYCJHECSA-N 317.345 2.232 5 1 DEBF COC(=O)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)C[C@@H]2CC[C@H]1N2C 26160132 JWBRJGZNZCKAEB-GBJTYRQASA-N 304.346 2.334 5 1 DEBF C/C=C/[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC(=O)O1 96328669 URKJDRUHVTUEAA-IVPXFZNXSA-N 305.286 2.402 5 1 DEBF COC(=O)c1cccc2nc([C@H](C)n3cc([N+](=O)[O-])cn3)[nH]c12 587277419 VQHBDKHFQABUNH-QMMMGPOBSA-N 315.289 2.064 5 1 DEBF O=Cc1ccc(OCCc2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 587566451 NIFWXFIPODMNIN-UHFFFAOYSA-N 312.285 2.300 5 1 DEBF Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccccc1S 98083877 DOAHTPHEJKMQTI-UHFFFAOYSA-N 306.347 2.417 5 1 DEBF COc1cc(O)c2c(=O)c3c(O)cc(O)c(OC)c3oc2c1 169308863 PAVWLYTVSSXEMJ-UHFFFAOYSA-N 304.254 2.080 5 1 DEBF COc1ccc2c(=O)c3cccc(CNC[C@H](C)O)c3oc2c1 95590983 RSCZTQVWKMHIIA-NSHDSACASA-N 313.353 2.425 5 1 DEBF COc1cccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c12 587262670 HGZNUAKSYJYOFV-GARJFASQSA-N 317.345 2.232 5 1 DEBF N[C@@]1(c2nc3cc([N+](=O)[O-])cnc3[nH]2)C[C@H]1c1ccccc1F 587154871 UHGBCCFSEZXLLE-BONVTDFDSA-N 313.292 2.347 5 1 DEBF CCCCCC[C@@H]([C@H](C)O)[N+]1([O-])C(O)=Nc2c(N)ncnc21 169714033 KQLKDNMOHIBDED-MOUQWJFJSA-N 309.370 2.143 5 1 DEBF O=[N+]([O-])/C=C/COCc1cc2c(cc1Br)OCO2 1861553 MLFRYNXYNRRLRL-OWOJBTEDSA-N 316.107 2.485 5 1 DEBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cccc([N+](=O)[O-])c2[nH]1 587274234 OKEPBRRMGOJBGJ-MRVPVSSYSA-N 316.277 2.380 5 1 DEBF COC(=O)c1ccc2c(=O)c3c(O)cc(C)cc3oc2c1O 2356324863 LRQLJNGBYUMLTD-UHFFFAOYSA-N 300.266 2.452 5 1 DEBF O=[N+]([O-])c1cccnc1NCc1nc2ccc(CCO)cc2[nH]1 587268985 OZYFRAKXTTWACW-UHFFFAOYSA-N 313.317 2.013 5 1 DEBF COc1cc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2cn1 587270105 KMVPPPKPRSAOQV-NSHDSACASA-N 313.317 2.117 5 1 DEBF CCCCCC[C@H]([C@H](C)O)[N+]1([O-])C(=O)Nc2c(N)ncnc21 27216249 KQLKDNMOHIBDED-LIHPQCKMSA-N 309.370 2.129 5 1 DEBF Cc1ccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2n1 587268929 DTGAWDMIOCJZEP-UHFFFAOYSA-N 321.300 2.422 5 1 DEBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC(Br)=NO1 299821336 KQJBHVBLTJNGSF-MRVPVSSYSA-N 314.095 2.031 5 1 DEBF COc1cc(OC[C@@H]2CO2)cc2c1c(=O)c1ccccc1n2C 45290717 SUAHNLBXEIMQMQ-GFCCVEGCSA-N 311.337 2.478 5 1 DEBF O=[N+]([O-])c1ccn(CCCc2nc3c(F)cnc(Cl)c3[nH]2)n1 587273281 JNYFZWUAHOCVIJ-UHFFFAOYSA-N 324.703 2.488 5 1 DEBF COc1ccc2c(=O)c3c(O)c(OC)cc(O)c3oc2c1OC 14648931 MSSJWSORFOSITF-UHFFFAOYSA-N 318.281 2.383 5 1 DEBF biogenic N=C(N)c1ccc(-c2[nH]c3cc(C(=N)N)ccc3c2[N+](=O)[O-])cc1 169315967 JPMBYXIGHMRQPH-UHFFFAOYSA-N 322.328 2.311 5 1 DEBF Cc1cc(=O)oc2c1ccc1oc(=N)c(C(=O)NC3CC3)cc12 653793674 OJQOOEGPIAPNKX-UHFFFAOYSA-N 310.309 2.219 5 1 DEBF O=[N+]([O-])c1ccccc1S(=O)(=O)c1c[nH]c2ncccc12 43066609 RNFQRXIUIIHFOL-UHFFFAOYSA-N 303.299 2.304 5 1 DEBF Cc1cncc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c12 587263551 BYFOPPPZEZHTOU-JTQLQIEISA-N 313.317 2.123 5 1 DEBF O=C(COC(=O)[C@H]1C[C@H]2C=C[C@@H]1C2)Nc1ccccc1[N+](=O)[O-] 104086344 QNQSWEBDKKSBPP-TUAOUCFPSA-N 316.313 2.289 5 1 DEBF COCCOCCOc1ccc2nc3ccc(=O)cc-3oc2c1 199627574 VPMYWQIWACTSPN-UHFFFAOYSA-N 315.325 2.335 5 1 DEBF COc1cc2oc3ccc(OC)c(O)c3c(=O)c2c(O)c1OC 14648922 VZWRMDCZALDEEU-UHFFFAOYSA-N 318.281 2.383 5 1 DEBF biogenic CC1(C)CN(c2cc(=O)n3ccc4ccccc4c3n2)CCO1 13608181 KDTWTVUZFRUIPU-UHFFFAOYSA-N 309.369 2.463 5 1 DEBF CN(C)CCCCCN1CC(=O)N(C)c2cc([N+](=O)[O-])ccc21 103262741 SZHXLEDDQSDEAU-UHFFFAOYSA-N 320.393 2.110 5 1 DEBF O=C(c1n[nH]cc1[N+](=O)[O-])c1coc2cc([N+](=O)[O-])ccc12 587280055 HREGIXLDMHUSQE-UHFFFAOYSA-N 302.202 2.203 5 1 DEBF COc1ccc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2n1 587270838 RKTDEVBQRSYUPQ-NSHDSACASA-N 313.317 2.117 5 1 DEBF O=C(O)c1ccc2nc3ccc(Br)cc3c(=O)n2c1 33865592 ZQBBGEMIULQPFZ-UHFFFAOYSA-N 319.114 2.308 5 1 DEBF N=c1[nH]c2nc(-c3cc(F)cc([N+](=O)[O-])c3)nc-2c(Cl)[nH]1 587160458 SMFSYLONZBPCQP-UHFFFAOYSA-N 308.660 2.085 5 1 DEBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cnc(Cl)[nH]c-2n1 587271042 XXKZMGNTBRPGLD-VIFPVBQESA-N 318.724 2.109 5 1 DEBF Cn1nnc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1C(F)F 587129572 YDSCCYXUSIEVGB-UHFFFAOYSA-N 312.211 2.343 5 1 DEBF CCCCCNC1=NCCN1OCc1cccc([N+](=O)[O-])c1 13539086 GIXHIFPRMNMPMW-UHFFFAOYSA-N 306.366 2.478 5 1 DEBF NCCc1c[nH]c(=S)n1[C@H]1COc2c(cccc2[N+](=O)[O-])C1 13681186 FNPSIDQPVWLMAI-LLVKDONJSA-N 320.374 2.131 5 1 DEBF Nc1ccc(O)c(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 299836501 NMGQLUJTRQLFMY-UHFFFAOYSA-N 313.273 2.011 5 1 DEBF COC(=O)[C@@H]1[C@@H](OC(=O)c2ccccc2)C[C@H]2CC[C@@H]1[N+]2(C)C 4887113 NRJDVMYLISHSNW-UGUYLWEFSA-N 318.393 2.012 5 1 DEBF COC(=O)[C@@H]1C(C(C)C)=NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 169730070 GHYAPWMBHNILQF-DGCLKSJQSA-N 319.317 2.245 5 1 DEBF O=[N+]([O-])c1ccccc1S(=O)(=O)n1ccc2ncccc21 43013378 HTLJGJRVYAUACF-UHFFFAOYSA-N 303.299 2.182 5 1 DEBF CC(C)(C)OC(=O)[C@H](N)CCc1nc2cccc([N+](=O)[O-])c2[nH]1 587256397 HONFYSLDSBGUML-SECBINFHSA-N 320.349 2.073 5 1 DEBF O=C1Nc2ccc([N+](=O)[O-])cc2[C@]1(O)c1cc(Cl)ccc1O 29310652 YOOACWPSRVYQQL-AWEZNQCLSA-N 320.688 2.142 5 1 DEBF CC(=O)N1N=C(c2cccnc2)O[C@H]1c1ccccc1[N+](=O)[O-] 103295375 USVZNFKQOMKUIB-HNNXBMFYSA-N 312.285 2.229 5 1 DEBF COc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cn2)cc1 72182389 BUHYSCPNVFQTSO-UHFFFAOYSA-N 302.290 2.320 5 1 DEBF O=C1C([c-]2c(=O)[nH]c3cc([N+](=O)[O-])ccc32)=Nc2ccccc21 169729439 MYKNXMPEGQZDQZ-UHFFFAOYSA-N 306.257 2.472 5 1 DEBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc3c(cc2[nH]1)OCO3 587274535 PTJJERSDHCDYLC-QMMMGPOBSA-N 315.289 2.200 5 1 DEBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc3cn[nH]c3cc2[nH]1 587267215 GTXMTWIKZQGGKD-QMMMGPOBSA-N 311.305 2.462 5 1 DEBF C[N+](C)(C)CCO[P@@](=O)(O)OCCCc1ccccc1 98208728 NFUBQNQOSNBRKK-UHFFFAOYSA-O 302.331 2.459 5 1 DEBF in-vitro Cc1c(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cccc1[N+](=O)[O-] 587260815 GZAYLYADDPEOLH-UHFFFAOYSA-N 304.697 2.254 5 1 DEBF O=[N+]([O-])c1ccn(CCCc2nc3c(Cl)ccnc3[nH]2)n1 587274145 TYZJUQBHTUMYEX-UHFFFAOYSA-N 306.713 2.349 5 1 DEBF O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 100481889 PQPQVZIFCZGIFQ-UTUOFQBUSA-N 310.375 2.309 5 1 DEBF CC(=O)O[C@H]1[C@H]2CC[C@H]1[C@H]1N=NN(c3ccc([N+](=O)[O-])cc3)[C@@H]21 254143393 HTDOPPBDHXBYCB-SBJFKYEJSA-N 316.317 2.491 5 1 DEBF CC1(C)C[C@H]1C(=O)N/C(=C\CCCCC[N+](C)(C)C)C(=O)O 26021897 NOSQAJGISWGCEY-ODUNQGDFSA-O 311.446 2.384 5 1 DEBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(F)cnc2[nH]1 587269337 AXZLMORTDIDWOC-NSHDSACASA-N 301.281 2.248 5 1 DEBF CC(C)N1C[C@@H]2C[C@H](CN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 100833886 MEHYSILUYHYKPX-KBPBESRZSA-N 317.389 2.397 5 1 DEBF COc1cc(/C=C(\[C@@H](C)O)n2c([N+](=O)[O-])cnc2C)ccc1O 1857646160 WBFHIHXKRTZBGW-TZZQWBKVSA-N 319.317 2.193 5 1 DEBF O=C(COC(=O)[C@H]1C[C@@H]2C=C[C@@H]1C2)Nc1ccccc1[N+](=O)[O-] 104086338 QNQSWEBDKKSBPP-UTUOFQBUSA-N 316.313 2.289 5 1 DEBF Cc1cc2[nH]c(-c3nc(Cl)cnc3N)nc2cc1[N+](=O)[O-] 587086370 HNUMAHCVIZBPHM-UHFFFAOYSA-N 304.697 2.472 5 1 DEBF Nc1cncc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 587253713 HDPNJDVJDRGOKG-UHFFFAOYSA-N 300.234 2.024 5 1 DEBF Cc1nc2nccnc2cc1NC(=O)c1ccc([N+](=O)[O-])cc1 1772588590 FYVKKYXHBSWHPZ-UHFFFAOYSA-N 309.285 2.494 5 1 DEBF CCN(CC)CCCN1CC(=O)Nc2cc([N+](=O)[O-])ccc21 473137879 ZZSUPQYTDYAZFL-UHFFFAOYSA-N 306.366 2.085 5 1 DEBF Cc1cc(C(=O)NCCN(C)C)c2nc3ccccc3nc2c1 5808518 NNRORILCTYSCHJ-UHFFFAOYSA-N 308.385 2.383 5 1 DEBF Cn1nc([N+](=O)[O-])cc1-c1nc2cc3c(cc2[nH]1)OCCCO3 587274727 KODRYDHYUUDWIX-UHFFFAOYSA-N 315.289 2.033 5 1 DEBF N=c1ccc2c(nc3ccccc3[n+]2[O-])n1Cc1ccccc1 101336301 PQVDHJTTYOGOIF-UHFFFAOYSA-N 302.337 2.351 5 1 DEBF C[N+](C)(C)CCCNC[C@@H](O)COc1cccc2ccccc12 39234987 KBFBTBQJHFFALX-QGZVFWFLSA-N 317.453 2.265 5 1 DEBF O=[N+]([O-])c1ccn(CCCc2nc3cc4c(cc3[nH]2)OCO4)n1 587273595 MIUNYTRRYJJLSI-UHFFFAOYSA-N 315.289 2.029 5 1 DEBF COc1cc(O)c2c(=O)c3c(O)ccc(O)c3oc2c1OC 14648983 ZXGKYKCGVKMAQK-UHFFFAOYSA-N 304.254 2.080 5 1 DEBF biogenic COc1cc2oc3cc(O)cc(O)c3c(=O)c2c(O)c1OC 238738507 FIQGVMSAUQNXHJ-UHFFFAOYSA-N 304.254 2.080 5 1 DEBF NC(=O)c1cccc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c12 587160512 UMUAAEZXFPSXPV-UHFFFAOYSA-N 300.249 2.376 5 1 DEBF CC(C)c1nn(C)c2c1[C@H](c1cncc([N+](=O)[O-])c1)NCC2 962923455 ZCTMGKKZRJUUJA-HNNXBMFYSA-N 301.350 2.082 5 1 DEBF COc1c2c(cc3c1c(=O)c1cccc(OC)c1n3C)OCO2 14721302 QYWWGVQKWKTLMU-UHFFFAOYSA-N 313.309 2.438 5 1 DEBF biogenic,in-vitro CN1CC[C@@H]2[C@H](CCC[C@H]2NC(=O)c2ccc([N+](=O)[O-])cc2)C1 299804588 HRKMDSLEHKGZGW-FVQBIDKESA-N 317.389 2.445 5 1 DEBF COc1ccc(OC)c2c1cc1c(=O)nc(SC)nc-1n2C 28651772 ASIPGSZSRFWZCV-UHFFFAOYSA-N 317.370 2.172 5 1 DEBF CO[C@@]1(c2ccccc2)N=CC(=O)Nc2ccc([N+](=O)[O-])cc21 33828950 QDBFYSCQBAAYIY-MRXNPFEDSA-N 311.297 2.465 5 1 DEBF CC[C@@H]1C[N@+]2([O-])CC[C@]34c5ccccc5N[C@H]3[C@@H](CO)[C@H]1C[C@@H]42 255269971 TWXSNNUYFGAFNA-WLPRDMRESA-N 314.429 2.474 5 1 DEBF C[C@H](c1nc2ccc([C@@H](N)N=O)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587275757 GGZVCMBTGVHKEV-KRTXAFLBSA-N 315.293 2.001 5 1 DEBF CN1CCC=C([C@H]2SCC(=O)N2c2ccc([N+](=O)[O-])cc2)C1 45285284 DBOYGBHYMWFPQX-OAHLLOKOSA-N 319.386 2.263 5 1 DEBF CC(=O)Nc1ccc(/N=c2\cc([N+](=O)[O-])cc(Cl)n2O)cc1 100611197 TZIBQROEQSJONO-DTQAZKPQSA-N 322.708 2.478 5 1 DEBF Cc1c(CC[C@@H](C)[N+](=O)[O-])[nH]c2ccc(S(C)(=O)=O)cc12 587649794 BRKKKTCQZAPJIG-SECBINFHSA-N 310.375 2.478 5 1 DEBF COCC(=O)Cc1nc2cc3nc4ccccc4nc3cc2[nH]1 587563480 REHSBABDRLPQRX-UHFFFAOYSA-N 306.325 2.417 5 1 DEBF NCCc1c[nH]c(=S)n1[C@H]1COc2ccc([N+](=O)[O-])cc2C1 13681176 RWBYHVOPHRDVAI-GFCCVEGCSA-N 320.374 2.131 5 1 DEBF O=C(NCc1ccoc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 13685612 OGFUWLSWHJYFLK-UHFFFAOYSA-N 313.269 2.168 5 1 DEBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(CCO)cc2[nH]1 587267102 FPTPNFIGTTZTBS-JTQLQIEISA-N 315.333 2.120 5 1 DEBF COC(=O)c1ccc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2n1 587160520 UXMBHHRSJZKJMP-UHFFFAOYSA-N 316.248 2.459 5 1 DEBF CCc1[nH]c2ccc(S(C)(=O)=O)cc2c1C[C@H](C)[N+](=O)[O-] 587650918 XCIDWTQWFBTZCG-VIFPVBQESA-N 310.375 2.342 5 1 DEBF Cc1oc(-c2nc3c(S)nc(S)nc3[nH]2)cc1[N+](=O)[O-] 587268664 AYCXRCLZEDALMJ-UHFFFAOYSA-N 309.332 2.407 5 1 DEBF COc1ccc(C(=O)OC2C[C@@H]3CC[C@@H](C2)[N+]3(C)[O-])cc1OC 100652910 WAXSPCSJSGNROP-RKSAHCFOSA-N 321.373 2.498 5 1 DEBF COc1cc2nc(-c3cnc(N)c([N+](=O)[O-])c3)[nH]c2cc1OC 587268292 PKULTXBFQHDUBW-UHFFFAOYSA-N 315.289 2.133 5 1 DEBF COC(=O)c1cc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2cn1 587160233 NHNTWSZNEUOMRA-UHFFFAOYSA-N 316.248 2.459 5 1 DEBF C[C@@H]1CC(=O)[C@H](Cc2nc3c(Cl)ccnc3[nH]2)[C@@H]1C[N+](=O)[O-] 587266297 ZVTBPFIJDFCGSG-IWSPIJDZSA-N 322.752 2.272 5 1 DEBF Cc1ccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2n1 587264331 LRFZYBDNKACWRN-JTQLQIEISA-N 313.317 2.123 5 1 DEBF COCc1nn(C)cc1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279955 WKCCVDQFAZZFMO-UHFFFAOYSA-N 315.285 2.452 5 1 DEBF CC(=O)N1N=C(c2ccccc2)O[C@@H]1c1ccc([N+](=O)[O-])o1 96913465 HGPKTFGSATYETK-CQSZACIVSA-N 301.258 2.427 5 1 DEBF CN1CC[C@@H]2[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3)CCC[C@H]2C1 1841669 HRKMDSLEHKGZGW-BPUTZDHNSA-N 317.389 2.445 5 1 DEBF Nc1ncc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1[N+](=O)[O-] 587268404 WGGNAVOEPVZBOT-UHFFFAOYSA-N 318.224 2.163 5 1 DEBF C[N+]1(CCC[N+]2(C)C[C@H]3[C@@H]4C=C[C@H](CC4)[C@@H]3C2)CCOCC1 195473590 JMKKOXFXRSJPNL-YRXWBPOGSA-N 306.494 2.142 5 1 DEBF C/C=C1/C[N+]2(C)[C@H]3C[C@@]45c6ccccc6N[C@H]4[C@@H]2C[C@@H]1[C@@H]3[C@H]5O 238789637 PTTBJZJFOPMWEE-BKXFGDMDSA-N 309.433 2.277 5 1 DEBF CC=C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC(=O)O1 2356863556 URKJDRUHVTUEAA-CHWSQXEVSA-N 305.286 2.402 5 1 DEBF CN1CC[C@H]2[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3)CCC[C@H]2C1 26182270 HRKMDSLEHKGZGW-IMJJTQAJSA-N 317.389 2.445 5 1 DEBF COc1cc(C)c(O)c2oc3ccc(O)c(C(=O)O)c3c(=O)c12 14815351 WNNZOICLHAOLHA-UHFFFAOYSA-N 316.265 2.373 5 1 DEBF biogenic Cc1cc(NC(=O)c2c(C)[nH]c3cc([N+](=O)[O-])ccc23)no1 587647488 ZJDREDPYXMAFKO-UHFFFAOYSA-N 300.274 2.933 5 1 DEBF CCn1nnc(-c2ccc3c(=O)c4cc(O)ccc4oc3c2)n1 13755840 HYHPORHNIKDYGO-UHFFFAOYSA-N 308.297 2.325 5 1 DEBF COc1c(O)cc2oc3ccc(O)c(OC)c3c(=O)c2c1O 14648916 KUNUETKBUPYSON-UHFFFAOYSA-N 304.254 2.080 5 1 DEBF biogenic,in-vitro O=[N+]([O-])c1cc2nc([C@H](O)c3cccc(O)c3)[nH]c2cc1F 586891226 NOIPTYBSAVIMJL-CYBMUJFWSA-N 303.249 2.398 5 1 DEBF CCOc1ccc(C(=O)CN2[CH]C=CC=C2N)cc1[N+](=O)[O-] 2356872361 FTIVTCBDCPYAQO-UHFFFAOYSA-N 302.310 2.010 5 1 DEBF COCCOCCOCC(=O)c1coc2cc([N+](=O)[O-])ccc12 587279384 IBKUYEOIAXKMHA-UHFFFAOYSA-N 323.301 2.203 5 1 DEBF O=C1C[C@H]2C[C@H]2C(=O)[C@@H]1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] 103153731 MKTDFJCGANZGFP-JSTDYGSISA-N 307.689 2.225 5 1 DEBF COC(=O)c1cccc2nc3c(C(=O)OC)ccc(O)c3nc12 14502722 AZNRLLWCRMDTJC-UHFFFAOYSA-N 312.281 2.062 5 1 DEBF biogenic OC[C@@H](O)[C@H](O)c1nc2c3ccccc3c3ccccc3c2[nH]1 586886735 CAUGIBJZUVIENA-PBHICJAKSA-N 308.337 2.256 5 1 DEBF OC[C@H](O)[C@@H](O)c1nc2c3ccccc3c3ccccc3c2[nH]1 586886742 CAUGIBJZUVIENA-WMLDXEAASA-N 308.337 2.256 5 1 DEBF O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 3124014 HUIPNFJWRBQICC-CQSZACIVSA-N 301.302 2.450 5 3 DEBF COc1cc(OC)c2c(=O)c3c(O)cccc3oc2c1CCO 2356720926 OBLQSDVXVVKOJA-UHFFFAOYSA-N 316.309 2.204 5 1 DEBF O=[N+]([O-])c1cccc(CN[C@@]23O[C@H]4[C@@H]5[C@H]6C[C@@H]([C@@H]7[C@@H]6[C@@H]4[C@@H]72)[C@H]53)c1 253674223 GKCCEHGRTWUFEG-UYXRRPAWSA-N 310.353 2.167 5 1 DEBF CC(C)(O)[C@H](O)Cc1ccc2c(=O)c3ccccc3oc2c1O 13334715 ABBHVLUUYSTWRC-CQSZACIVSA-N 314.337 2.326 5 1 DEBF biogenic O=[N+]([O-])c1cccc(S(=O)(=O)c2c[nH]c3ncccc23)c1 42921268 OGGGLQTULLADHQ-UHFFFAOYSA-N 303.299 2.304 5 1 DEBF COc1cc2nc(Cn3c([N+](=O)[O-])cnc3C)[nH]c2cc1F 587274754 SGYLOPIAXUIDLS-UHFFFAOYSA-N 305.269 2.172 5 1 DEBF COc1c(O)c(OC)c2oc3cccc(O)c3c(=O)c2c1O 35015485 ISYRSHCFJHQXRU-UHFFFAOYSA-N 304.254 2.080 5 1 DEBF CCOC(=O)c1cn(-c2c(C)[nH]c3cccc([N+](=O)[O-])c23)nn1 587647420 HUULIOUGLFQIKS-UHFFFAOYSA-N 315.289 2.142 5 1 DEBF Cc1cc(-c2ccc3c(O)nc(O)nc3n2)c(O)c([N+](=O)[O-])c1 587555201 OSCCTWLMPIDKTJ-UHFFFAOYSA-N 314.257 2.025 5 1 DEBF CC(C)(C)C(=O)N1C[C@@H]2CN(Cc3ccc([N+](=O)[O-])o3)C[C@@H]2C1 1857642554 HBIHUEBSEHKLRR-TXEJJXNPSA-N 321.377 2.124 5 1 DEBF N[C@]1(c2nc3cc([N+](=O)[O-])cnc3[nH]2)C[C@H]1c1ccccc1F 587154873 UHGBCCFSEZXLLE-ZUZCIYMTSA-N 313.292 2.347 5 1 DEBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(N)ncc3[nH]2)c1 587262792 GBGCUOGTDHTVJV-UHFFFAOYSA-N 313.317 2.378 5 1 DEBF O=C(O)/C=C/C=C\c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587966414 CMBFSQCOTPEGPH-HSFFGMMNSA-N 304.218 2.033 5 1 DEBF COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1[N+](=O)[O-] 116343212 FKYPXQCVZVCRCL-UHFFFAOYSA-N 319.321 2.474 5 1 DEBF CCOC(=O)c1ccc2nc(-c3cc([N+](=O)[O-])nn3C)[nH]c2c1 587273498 CLSRHUKCUDTWCM-UHFFFAOYSA-N 315.289 2.048 5 1 DEBF C[C@@H](c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587277166 PVWPHLXLTHBNSP-LURJTMIESA-N 320.240 2.324 5 1 DEBF COc1cc2nc(-c3cnc(N)c([N+](=O)[O-])c3)[nH]c2cc1F 587267576 ABIXPLCYNMXBNU-UHFFFAOYSA-N 303.253 2.263 5 1 DEBF Cc1ccnc2c1CCN[C@H]2c1cc(C=O)c(O)c([N+](=O)[O-])c1 963078585 YGNWYIZCOSTJBB-AWEZNQCLSA-N 313.313 2.051 5 1 DEBF CCOC(=O)C1=C(C)N=C(OC)N[C@H]1c1cccc([N+](=O)[O-])c1 26579252 RVBQIBMRQBVLMH-ZDUSSCGKSA-N 319.317 2.079 5 1 DEBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(F)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587263182 KKUNDNNCEQHWIY-IEBDPFPHSA-N 305.309 2.363 5 1 DEBF C[C@H]1CCC(=O)N1[C@@H]1c2cc([N+](=O)[O-])ccc2C(C)(C)[C@H]1O 10425 KIQTXVQSKRUYCC-AMFBXLIHSA-N 304.346 2.299 5 1 DEBF Cc1ccc2nc3cccc(C(=O)NCCN(C)C)c3nc2c1 27985522 GVYNEQCOZRYYSD-UHFFFAOYSA-N 308.385 2.383 5 1 DEBF CS(=O)(=O)/C=C/c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 586922574 ANJQYOYRJKPPOW-NSCUHMNNSA-N 301.711 2.140 5 1 DEBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1nn(C)cc1[N+](=O)[O-])O2 587388449 BUCYPADCLJJCJQ-OAHLLOKOSA-N 316.317 2.100 5 1 DEBF COc1cc(O)c2c(=O)c3ccc(OC)c(OC)c3[nH]c2c1 14725176 BDQCAEJTZSIKFA-UHFFFAOYSA-N 301.298 2.413 5 1 DEBF biogenic COc1ccc2oc3c(OC)c(O)cc(O)c3c(=O)c2c1OC 14648967 QSEOPCHBGJGKPI-UHFFFAOYSA-N 318.281 2.383 5 1 DEBF biogenic Cc1cc(N(C)Cc2nc3ncc[nH]c-3n2)c([N+](=O)[O-])cc1F 587136942 LYVLHOZLPIDFCF-UHFFFAOYSA-N 316.296 2.297 5 1 DEBF COC(=O)c1cc(O)cc2c(=O)c3c(O)cc(C)cc3oc12 238744640 FMNORJDMOXUEDR-UHFFFAOYSA-N 300.266 2.452 5 1 DEBF Cc1cnc(CCNC(=O)c2ccc([N+](=O)[O-])o2)n1C1CCC1 1857774538 KCEDKRNEBYVUDA-UHFFFAOYSA-N 318.333 2.390 5 1 DEBF Cc1cnc(Cl)c2[nH]c(Cn3c([N+](=O)[O-])cnc3C)nc12 587274877 VQSFPKYUFKNXCK-UHFFFAOYSA-N 306.713 2.381 5 1 DEBF CON(C)C(=O)CNc1cc(=O)oc2c1ccc1ccccc12 53299123 QZXRQASRQUVJAJ-UHFFFAOYSA-N 312.325 2.378 5 1 DEBF O=[N+]([O-])c1ccn(CCCc2nc3ccnc(Cl)c3[nH]2)n1 587273534 LJNANIMXQGPWKD-UHFFFAOYSA-N 306.713 2.349 5 1 DEBF CC1(C)C[C@@H](O)[C@H]([C@@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)N1 13143605 QELWLAXNVYAKPA-MCIONIFRSA-N 308.378 2.156 5 1 DEBF CSc1ccc(C(=O)[C@H]2C(=O)C[C@H]3C[C@H]3C2=O)c([N+](=O)[O-])c1 103153748 CJWFQSUCJQZBMZ-XBURVNOZSA-N 319.338 2.294 5 1 DEBF O=c1[nH]nc(-c2ccc([N+](=O)[O-])cc2)c2cc3c(cc12)OCO3 26716687 RTWGBWNBYCPVQN-UHFFFAOYSA-N 311.253 2.227 5 1 DEBF O=[N+]([O-])c1ccc(-c2nnc3n2N[C@@H](c2ccc[nH]2)S3)o1 72175893 UOGWMVHSIYXNEE-SNVBAGLBSA-N 304.291 2.122 5 1 DEBF COc1ccc2c(=O)c3cccc(CNC[C@@H](C)O)c3oc2c1 95590984 RSCZTQVWKMHIIA-LLVKDONJSA-N 313.353 2.425 5 1 DEBF Cc1ncc([N+](=O)[O-])n1Cc1nc2c(F)cnc(Cl)c2[nH]1 587273585 IVSGZVUYMRDJNU-UHFFFAOYSA-N 310.676 2.212 5 1 DEBF COc1cc2nc([C@@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2cc1OC 587275794 GPRPVNNSCGHSMN-MRVPVSSYSA-N 317.305 2.294 5 1 DEBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(C(=O)O)cc2[nH]1 587274962 YBNVROIZWFYZAN-MRVPVSSYSA-N 315.289 2.170 5 1 DEBF O=C1NC(=O)/C(=C\c2coc3ccc([N+](=O)[O-])cc3c2=O)S1 40846524 XPIVKSRUOHPCIX-XCVCLJGOSA-N 318.266 2.025 5 1 DEBF COc1ccccc1CC(=O)c1nc2c([N+](=O)[O-])cncc2[nH]1 587929832 MPXPSDCLWTXOJF-UHFFFAOYSA-N 312.285 2.300 5 1 DEBF CC[C@@H]1C[N+]2([O-])CC[C@]34c5ccccc5N[C@H]3[C@@H](CO)[C@H]1C[C@@H]42 40846636 TWXSNNUYFGAFNA-IROWCEQYSA-N 314.429 2.474 5 1 DEBF O=[N+]([O-])c1ccc(F)c(-c2ccc3c(O)nc(O)nc3n2)c1 587368359 OCMBNYVRDHLWMY-UHFFFAOYSA-N 302.221 2.150 5 1 DEBF COc1nccc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c12 587269569 FINIUZBYDBWKBU-NSHDSACASA-N 313.317 2.117 5 1 DEBF C[C@@H](c1ccc(F)cc1)n1ccn2cc([N+](=O)[O-])nc2c1=O 1857581721 MFVQATDBMAIKLA-VIFPVBQESA-N 302.265 2.153 5 1 DEBF N=c1sc([N+](=O)[O-])c2n1CCN2Cc1ccc(Cl)nc1 103160042 PTXSRGPVYBZSED-UHFFFAOYSA-N 311.754 2.006 5 1 DEBF O=C(NCc1cccc([N+](=O)[O-])c1)OCCCc1c[nH]cn1 13747071 JEGKJVGFTGBOQM-UHFFFAOYSA-N 304.306 2.177 5 1 DEBF O=C(O)Cc1cccc2c(=O)c3cccc(CC(=O)O)c3oc12 28770418 FYWAKKVCWVVXAB-UHFFFAOYSA-N 312.277 2.200 5 1 DEBF CC(C)n1cnc2cc3c(=O)c4ccccc4n(CCO)c3nc21 474609916 XFYBYSQKXUOIHN-UHFFFAOYSA-N 322.368 2.473 5 1 DEBF Cc1cc(N(C)Cc2nc3cnncc3[nH]2)c([N+](=O)[O-])cc1F 587136719 JWBYVOQIHURFLY-UHFFFAOYSA-N 316.296 2.345 5 1 DEBF O=c1nc(O)c2nc3ccccc3n(Cc3ccccc3F)c-2n1 261170695 SYCXHEFTBZZSQU-UHFFFAOYSA-N 322.299 2.184 5 1 DEBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccnc(N)c3[nH]2)c1 587262468 AALMTZKSBRPYHL-UHFFFAOYSA-N 313.317 2.378 5 1 DEBF COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@H]1OC(=O)c1ccccc1)[N+]2(C)C 1701681 NRJDVMYLISHSNW-QKPAOTATSA-N 318.393 2.012 5 1 DEBF O=[N+]([O-])c1ncn(CCCCNc2ccnc3cccnc23)n1 73166463 HWCZWXXBJPNRPW-UHFFFAOYSA-N 313.321 2.022 5 1 DEBF COc1cc2c3c(c1)O[C@@]1(CC[C@@H](C[N+](=O)[O-])C1)[C@@H](C2)C3=O 587434466 VRDPYICPQWLBHV-RCAYSMOQSA-N 303.314 2.258 5 1 DEBF CSc1ccc(C(=O)[C@@H]2C(=O)C[C@H]3C[C@H]3C2=O)c([N+](=O)[O-])c1 103153745 CJWFQSUCJQZBMZ-OHILOLKFSA-N 319.338 2.294 5 1 DEBF O=c1n2c(c(O)n1-c1ccc([N+](=O)[O-])c3ccccc13)CCC2 169685708 SIOSWUKQYAMRQZ-UHFFFAOYSA-N 311.297 2.352 5 1 DEBF O=C1C([c-]2c(=O)[nH]c3ccc([N+](=O)[O-])cc32)=Nc2ccccc21 169686772 ZHHAGIQADGAIRQ-UHFFFAOYSA-N 306.257 2.472 5 1 DEBF O=C(CCN1CC[N+]2(CCCC2)CC1)c1cccc([N+](=O)[O-])c1 29311394 GCCNCMUYZHJQRN-UHFFFAOYSA-N 318.397 2.094 5 1 DEBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cccc([N+](=O)[O-])c2[nH]1 587274236 OKEPBRRMGOJBGJ-QMMMGPOBSA-N 316.277 2.380 5 1 DEBF O=C(Cc1ccccc1)Nc1cc(C(=O)O)cc([N+](=O)[O-])c1 36476141 OKHMLFPITZORMU-UHFFFAOYSA-N 300.270 2.474 5 1 DEBF O=C(O)COCc1nc2c3cccnc3c3ncccc3c2[nH]1 587562858 HULVLVPMZBDPQS-UHFFFAOYSA-N 308.297 2.261 5 1 DEBF Nc1ccc(C(=O)CCc2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 587251457 HYGWTSQKKXHATI-UHFFFAOYSA-N 311.301 2.264 5 1 DEBF CO[C@H]1C=C[C@@]23CC[N@@+]([O-])(Cc4cc5c(cc42)OCO5)[C@@H]3C1 1857573538 TWWZIVWNWSQGQA-FCRVUTKVSA-N 301.342 2.229 5 1 DEBF COc1c(OC)c(O)c2c(=O)c3cccc(O)c3[nH]c2c1OC 2356719937 LYLWPSZBLUXEOD-UHFFFAOYSA-N 317.297 2.118 5 1 DEBF CC[C@@H](C)NC1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc2S1 95582976 YMPNHXLVHKEKFC-SSDOTTSWSA-N 315.376 2.133 5 1 DEBF Cc1cc2[nH]c(CNC(=O)c3cscn3)nc2cc1[N+](=O)[O-] 587028118 KZSMMXJFIWUQNG-UHFFFAOYSA-N 317.330 2.166 5 1 DEBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(CCO)cc2[nH]1 587274981 YQLWOXZKYKEKFV-SNVBAGLBSA-N 315.333 2.006 5 1 DEBF O=[N+]([O-])c1nccn1CCCCN=c1[nH]cnc2ccccc12 1857748870 VWRUWQZIUYOBDA-UHFFFAOYSA-N 312.333 2.049 5 1 DEBF Cc1nc(N(C)C)ncc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587195178 RYRJLQDNEXOIOK-UHFFFAOYSA-N 316.296 2.442 5 1 DEBF Cc1cc(-c2ccc([N+](=O)[O-])cc2)nn(CCCC(=O)O)c1=N 377453192 CLLCADAJAIGCCN-UHFFFAOYSA-N 316.317 2.111 5 1 DEBF O=[N+]([O-])c1cc2nc(CCOCC3CC3)[nH]c2cc1[N+](=O)[O-] 587783053 FDFYLIDUPJUCCH-UHFFFAOYSA-N 306.278 2.348 5 1 DEBF COc1cc2nc(Cn3c([N+](=O)[O-])cnc3C)[nH]c2cc1OC 587274768 SJUSYVVQSKEHOK-UHFFFAOYSA-N 317.305 2.042 5 1 DEBF C[C@H]1CCC[C@H](NC(=O)COC(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1C 4965030 QETSVXHUMUSHDS-AXFHLTTASA-N 324.333 2.286 5 1 DEBF COc1cc2c3c(c1)O[C@@H](c1ncccc1[N+](=O)[O-])[C@@H](C2)C3=O 587434808 ZYKFJNLYKXJCPQ-MGPLVRAMSA-N 312.281 2.487 5 1 DEBF O=[N+]([O-])c1cc2nc(-c3cnc(Cl)nc3)[nH]c2cc1[N+](=O)[O-] 587084926 KOFVGNHPFGDXND-UHFFFAOYSA-N 320.652 2.490 5 1 DEBF Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(F)c(F)c(F)c2[nH]1 587273750 LJDFTOAZCPZDFW-UHFFFAOYSA-N 311.223 2.442 5 1 DEBF COc1ccc2c(=O)c3c(OC)c(O)cc(O)c3oc2c1OC 238778373 DDSBGWZLXYXUCB-UHFFFAOYSA-N 318.281 2.383 5 1 DEBF CC(C)(O)[C@@H](O)Cc1ccc2c(=O)c3ccccc3oc2c1O 13334716 ABBHVLUUYSTWRC-AWEZNQCLSA-N 314.337 2.326 5 1 DEBF biogenic O=C1NC(c2ccccc2)=C([N+](=O)[O-])[C@H](c2ccc(O)cc2)N1 5871735 FZXYZAAJYXPPQW-AWEZNQCLSA-N 311.297 2.392 5 1 DEBF Cc1cc(NCCN(C)C)[n+]2[nH]c3nc4ccccc4cc3c2n1 377853414 GPNITDMZEJHEQA-UHFFFAOYSA-O 321.408 2.132 5 1 DEBF O=[N+]([O-])c1cnc2[nH]c(Cc3csc4nccn34)nc2c1 587040854 SMUITXOYRWHDOM-UHFFFAOYSA-N 300.303 2.166 5 1 DEBF CC(C)(C)C(=O)N1C[C@H]2CN(Cc3ccc([N+](=O)[O-])o3)C[C@@H]2C1 1857642555 HBIHUEBSEHKLRR-VXGBXAGGSA-N 321.377 2.124 5 1 DEBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccccc3[nH]2)cc1 586920214 GBOJPBLCJUTFTP-UHFFFAOYSA-N 317.326 2.445 5 1 DEBF Cc1cc([N+](=O)[O-])nn1CCCC(=O)NCc1ccccc1 3896262 HMJOYJLCURJOQR-UHFFFAOYSA-N 302.334 2.196 5 3 DEBF O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2)cc1 4103718 RUQXZTHQFIRYFB-HGSJOUDDSA-N 320.370 2.037 5 1 DEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cccc(F)c3[nH]2)[C@H]1C[N+](=O)[O-] 587264451 RUPSPCHWRPXTAV-UTLUCORTSA-N 305.309 2.363 5 1 DEBF COc1cc(OC)c2oc3cc(O)cc(O)c3c(=O)c2c1OC 14648937 ABTYONUSOFOBNE-UHFFFAOYSA-N 318.281 2.383 5 1 DEBF biogenic COc1c(O)cc2oc3c(OC)cc(O)cc3c(=O)c2c1O 238769680 KXZSOSZUFXHBHD-UHFFFAOYSA-N 304.254 2.080 5 1 DEBF C[C@@H]1C[C@@](O)(CC(=O)O)c2c(ccc(Cl)c2[N+](=O)[O-])O1 13456134 PCCGBAOTMWRDPX-SREIQFSDSA-N 301.682 2.082 5 1 DEBF O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 3124013 HUIPNFJWRBQICC-AWEZNQCLSA-N 301.302 2.450 5 3 DEBF Nc1nc2nn(-c3ccc([N+](=O)[O-])cc3)nc2c2ccccc12 103091852 RHSLWFHFYZAZRT-UHFFFAOYSA-N 306.285 2.459 5 1 DEBF NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(C(=O)O)cc1 36387458 CASBTGCUPQIBNJ-UHFFFAOYSA-N 315.285 2.004 5 3 DEBF in-vitro COC(=O)c1ccc2[nH]c(-c3cc([N+](=O)[O-])c(C)o3)nc2n1 587269242 UIRYBGWSGLEFEN-UHFFFAOYSA-N 302.246 2.221 5 1 DEBF COc1ccc2nc3c(C(=O)NCCN(C)C)cccc3nc2c1 5808501 JZPFQGHDPGYORO-UHFFFAOYSA-N 324.384 2.083 5 1 DEBF C[C@H](O)Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 586893206 WSCMAEXGFNVBIK-YFKPBYRVSA-N 300.112 2.157 5 1 DEBF COc1cccc2nc3c(C(=O)NCCN(C)C)cccc3nc12 5808521 MPTQOFJVHJLYRK-UHFFFAOYSA-N 324.384 2.083 5 1 DEBF O=C(Cn1cnc(N2CCCC2)c1[N+](=O)[O-])c1ccccc1 40918057 HWSBTTKSWHSPQN-UHFFFAOYSA-N 300.318 2.274 5 1 DEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(F)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587263184 KKUNDNNCEQHWIY-MIMYLULJSA-N 305.309 2.363 5 1 DEBF COc1cc(O)c2c(=O)c3c(O)c(OC)ccc3oc2c1O 14648949 WGKXNCOXEXVDGV-UHFFFAOYSA-N 304.254 2.080 5 1 DEBF biogenic Cc1csc(C(=O)NCCCCn2ccnc2[N+](=O)[O-])c1 299838021 PZXSWZNYXMPUNA-UHFFFAOYSA-N 308.363 2.371 5 1 DEBF COc1cc(/C=C(\[C@H](C)O)n2c([N+](=O)[O-])cnc2C)ccc1O 1857646159 WBFHIHXKRTZBGW-DAVUEJTQSA-N 319.317 2.193 5 1 DEBF O=[n+]1c2ccc(Br)cc2n(O)c2ccc(O)cc21 377722247 JCNGKURBBDNSFZ-UHFFFAOYSA-O 308.111 2.414 5 1 DEBF O=[N+]([O-])c1ccc2c(c1)Cc1cc3c(O)nc(O)nc3nc1CC2 587552687 CHQPAGSHFTUDSX-UHFFFAOYSA-N 324.296 2.034 5 1 DEBF C[C@@H]1CC(=O)[C@H](Cc2nc3cncc(Cl)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587263270 LBYYMUYLXCYPNY-IWSPIJDZSA-N 322.752 2.272 5 1 DEBF COc1cc(OC)c2[nH]c([C@@H](C)n3cc([N+](=O)[O-])cn3)nc2c1 587275731 GDGQXJONHDIRQC-MRVPVSSYSA-N 317.305 2.294 5 1 DEBF Cc1ccc2c(n1)c(O)c(NC(=O)[C@H](C)O)c1ccc(C)nc12 2356792129 JIUXDJNYRHLQIG-JTQLQIEISA-N 311.341 2.425 5 1 DEBF COC(=O)c1c(OC)ccc2oc3cccc(O)c3c(=O)c12 15119054 MEQSKFCSGPLKKJ-UHFFFAOYSA-N 300.266 2.447 5 1 DEBF biogenic CN1CCC=C([C@@H]2SCC(=O)N2c2ccc([N+](=O)[O-])cc2)C1 45285286 DBOYGBHYMWFPQX-HNNXBMFYSA-N 319.386 2.263 5 1 DEBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Cl)ncc3[nH]2)[C@@H]1C[N+](=O)[O-] 587265641 XEIRITMEPGGNFL-IWSPIJDZSA-N 322.752 2.272 5 1 DEBF C[N+]1(Cc2ccccc2)CCN([P@@]2(=O)NCCCO2)CC1 40566875 CBHXJTBZLMGQIE-OAQYLSRUSA-N 310.358 2.067 5 1 DEBF O=[N+]([O-])c1ccn(CCCc2nc3cc4cn[nH]c4cc3[nH]2)n1 587273602 MPQXCWCMGXZUEO-UHFFFAOYSA-N 311.305 2.177 5 1 DEBF O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)O 13154383 CARARMWAMTUKGH-FQPOAREZSA-N 304.302 2.280 5 1 DEBF COc1cc(OCc2nc3c(N)ccnc3[nH]2)ccc1[N+](=O)[O-] 587261763 IJARZKDYMPGQKW-UHFFFAOYSA-N 315.289 2.036 5 1 DEBF CO[C@]1(c2ccccc2)N=CC(=O)Nc2ccc([N+](=O)[O-])cc21 33828952 QDBFYSCQBAAYIY-INIZCTEOSA-N 311.297 2.465 5 1 DEBF C=C[S@](=O)c1sc(Cl)c(N2CCOCC2)c1[N+](=O)[O-] 4301283 JMYKVYIOIYMTPA-LJQANCHMSA-N 322.795 2.397 5 3 DEBF NC(=O)c1ccc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2c1 587160121 IDLAZDZSPZEPQA-UHFFFAOYSA-N 300.249 2.376 5 1 DEBF COC(=O)c1cc(OC)c2oc(=O)c3cc(O)ccc3c2c1 2356718488 XNHWQNPFLGIETD-UHFFFAOYSA-N 300.266 2.447 5 1 DEBF COc1cc(O)c2c(=O)c3c(O)cc(C)cc3oc(=O)c2c1 238788422 YVFJBYLLLWUXQF-UHFFFAOYSA-N 300.266 2.035 5 1 DEBF Nc1nc2ccc3c(N)c(Br)ccc3c2c(=O)[nH]1 13832415 SFGQODWSGDEDEQ-UHFFFAOYSA-N 305.135 2.003 5 1 DEBF COc1ccc(C(=O)CN2C=CC(C)=C[C]2N)cc1[N+](=O)[O-] 2356815987 GQWWIIGTBQJRNN-UHFFFAOYSA-N 302.310 2.010 5 1 DEBF Nc1ccn(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)c(=O)n1 73196383 LJHFJJWZWHOLNE-UHFFFAOYSA-N 312.285 2.042 5 1 DEBF Cc1cc2[nH]c(-c3cc([N+](=O)[O-])nn3C)nc2cc1[N+](=O)[O-] 587274764 LXJFONNPDGYHTL-UHFFFAOYSA-N 302.250 2.088 5 1 DEBF O=C(Cn1cnc([N+](=O)[O-])c1[N+](=O)[O-])c1ccc(Cl)cc1 33592371 PKFDKMDIKIYPQZ-UHFFFAOYSA-N 310.653 2.236 5 1 DEBF O=[N+]([O-])c1ccccc1CCc1ccc2c(O)nc(O)nc2n1 587553223 FZOKJZGDWPHPGL-UHFFFAOYSA-N 312.285 2.129 5 1 DEBF C[N+](C)(C)CCCNC[C@H](O)COc1cccc2ccccc12 39234986 KBFBTBQJHFFALX-KRWDZBQOSA-N 317.453 2.265 5 1 DEBF Cn1nc(C(F)(F)F)cc1-c1nc2cncc([N+](=O)[O-])c2[nH]1 587116831 DKGLCOXGHVHKKI-UHFFFAOYSA-N 312.211 2.285 5 1 DEBF Cn1nc([N+](=O)[O-])cc1-c1nc2ccc(Br)nc2[nH]1 587274848 NWPNMRSBSBDQHP-UHFFFAOYSA-N 323.110 2.029 5 1 DEBF C[C@H]1C[C@@H](OC[C@@H](O)C[N+]2(C)CCOCC2)CC(C)(C)C1 2692843 FDQUJFFWDKRYJR-HRCADAONSA-N 300.463 2.056 5 1 DEBF O=[N+]([O-])c1ccccc1CN[C@@]12O[C@@H]3[C@H]4[C@@H]1[C@H]1C[C@@H]4[C@@H]4[C@@H]1[C@@H]2[C@H]34 194999868 QLIBBSDFSQDDLG-KWKBPDGQSA-N 310.353 2.167 5 1 DEBF Cc1ccc(N)c(Nc2ccc([N+](=O)[O-])c3nc[nH]c(=O)c23)c1 96937618 DTTVSQAEHUJZOV-UHFFFAOYSA-N 311.301 2.466 5 1 DEBF O=C(O)c1cc(O)ccc1-c1c(C(=O)O)cccc1[N+](=O)[O-] 26502820 ZNUPWRKKIYUDHX-UHFFFAOYSA-N 303.226 2.364 5 1 DEBF COc1ccc(C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)[O-])cc1OC 238742066 WAXSPCSJSGNROP-ILBPDZKLSA-N 321.373 2.498 5 1 DEBF O=C(c1cccc([N+](=O)[O-])c1)c1ccc2n1CC[C@H]2C(=O)O 25997077 WQOPDXBKFXPQBE-LLVKDONJSA-N 300.270 2.199 5 1 DEBF COc1cc(O)c2c(=O)c3cc(O)c(OC)c(O)c3oc2c1 14649031 MSKWVOZFYMGPOJ-UHFFFAOYSA-N 304.254 2.080 5 1 DEBF biogenic CC=C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC(=O)O1 2356863558 URKJDRUHVTUEAA-OLZOCXBDSA-N 305.286 2.402 5 1 DEBF C[C@H](c1nc2cc(C(=O)O)c(F)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587277313 SNFSJHOVIYLSFA-ZCFIWIBFSA-N 319.252 2.114 5 1 DEBF CC(C)CCNC(=O)[C@@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 8578683 ZRWZFDPFBNQPHL-AWEZNQCLSA-N 305.334 2.250 5 3 DEBF N[C@@]1(c2nc3cc4nc5ccccc5nc4cc3[nH]2)CCOC1 587248248 JLNMBBJLDKATOM-KRWDZBQOSA-N 305.341 2.234 5 1 DEBF CCCCCC[C@H]([C@H](C)O)[N@@+]1([O-])C(=O)Nc2c(N)ncnc21 253752302 KQLKDNMOHIBDED-DQPNGWRMSA-N 309.370 2.129 5 1 DEBF O=[N+]([O-])c1cc(-c2nc3cnccc3[nH]2)nn1CC(F)(F)F 587091648 HGLDTDUTLNMJNN-UHFFFAOYSA-N 312.211 2.292 5 1 DEBF Cc1c(CC[C@H](C)[N+](=O)[O-])[nH]c2ccc(S(C)(=O)=O)cc12 587649796 BRKKKTCQZAPJIG-VIFPVBQESA-N 310.375 2.478 5 1 DEBF O=C(CS(=O)(=O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 28712320 DUKGILGDTRZXAG-UHFFFAOYSA-N 323.301 2.391 5 1 DEBF CC(=O)O[C@@H]1[C@@H]2CC[C@@H]1[C@@H]1[C@@H]2N=NN1c1ccc([N+](=O)[O-])cc1 102953911 HTDOPPBDHXBYCB-KJWHEZOQSA-N 316.317 2.491 5 1 DEBF CC(=O)Cc1cc(O)cc2oc3cc(O)cc(O)c3c(=O)c12 2356802521 SISQNEPGDXOOLM-UHFFFAOYSA-N 300.266 2.195 5 1 DEBF O=c1c2cc(Cl)ccc2cnn1-c1ncccc1[N+](=O)[O-] 587652731 GUQKVBICULLGJB-UHFFFAOYSA-N 302.677 2.342 5 1 DEBF Nc1ncnc2[nH]c(-c3cc(Cl)cc([N+](=O)[O-])c3F)nc12 587139971 USRVECJIEOMNIN-UHFFFAOYSA-N 308.660 2.303 5 1 DEBF COC(=O)c1ccc2nc([C@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2c1 587276261 JTWBPGUNIPSCNM-QMMMGPOBSA-N 315.289 2.064 5 1 DEBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc([N+](=O)[O-])nn1C)O2 587389800 NGIXVNMFUXWUGA-HNNXBMFYSA-N 316.317 2.100 5 1 DEBF O=C(Nc1ccccc1N1CC[C@H](O)C1)c1ccc([N+](=O)[O-])o1 28960449 ZAEUHZGQIAGWMS-JTQLQIEISA-N 317.301 2.011 5 1 DEBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(CO)cc2[nH]1 587267625 NTYIAGVXTWWKOZ-VIFPVBQESA-N 301.306 2.078 5 1 DEBF Cc1c2ccnc(NC[C@H](O)CO)c2cc2c3c[nH]ccc-3nc12 101218432 VGFTVZPSGYCTNT-NSHDSACASA-N 322.368 2.289 5 1 DEBF O=[N+]([O-])c1ccc(C[C@@]2(O)c3ccccc3C3=NCCCN32)cc1 28954236 FCZFQMGHPBNECX-GOSISDBHSA-N 323.352 2.449 5 1 DEBF CCn1c(=O)cc(C)c2cc3c(C)cc(=O)n4c3c(c21)OCC4 1857562219 TWPIXYJTTOQVPD-UHFFFAOYSA-N 310.353 2.346 5 1 DEBF Cc1ccc(C(=O)O)c(OCCn2c([N+](=O)[O-])cnc2C)c1 45351564 HMOBSQBMAZWSFJ-UHFFFAOYSA-N 305.290 2.185 5 1 DEBF COc1c(OC)c2c3c(oc(=O)c4cc(O)cc(c43)CC2)c1O 238773308 QIGTWFBEGSWQKB-UHFFFAOYSA-N 314.293 2.473 5 1 DEBF NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])c3nonc23)cc1 299829584 WAEXQARWDFRTHA-UHFFFAOYSA-N 316.298 2.381 5 1 DEBF O=C(COC(=O)[C@@H]1C[C@H]2C=C[C@@H]1C2)Nc1ccccc1[N+](=O)[O-] 104086350 QNQSWEBDKKSBPP-QJPTWQEYSA-N 316.313 2.289 5 1 DEBF Nc1ncc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1[N+](=O)[O-] 587268285 PEQUZHPMMLGDSL-UHFFFAOYSA-N 324.300 2.000 5 1 DEBF O=c1[nH]c2cc(C(F)(F)F)c([N+](=O)[O-])c(Cl)c2nc1O 13743970 VWVTXPWDTYSRCN-UHFFFAOYSA-N 309.587 2.209 5 1 DEBF CCn1c2nc(N3CCOCC3)nc(=O)c-2cc2cc(C)ccc21 28651850 BZWYHWZTNNANJJ-UHFFFAOYSA-N 324.384 2.061 5 1 DEBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cccc([N+](=O)[O-])c2[nH]1 587268274 ZQOCYKBYSGWHAR-MRVPVSSYSA-N 316.277 2.494 5 1 DEBF O=C(c1cc([N+](=O)[O-])c2cccnc2c1O)N1CCCCC1 1857755976 BSNXRVAMHSEUKJ-UHFFFAOYSA-N 301.302 2.475 5 1 DEBF CCS(=O)(=O)c1nnc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 103206198 SLIRITISJLFWQB-UHFFFAOYSA-N 317.710 2.092 5 1 DEBF NCCCNc1ccc([N+](=O)[O-])c2[nH]c3ccccc3c(=O)c12 84729325 BVBYMWUGWRCFTB-UHFFFAOYSA-N 312.329 2.350 5 1 DEBF Cc1[nH]c2ccc([N+](=O)[O-])cc2c1C[C@H](CC[N+](=O)[O-])[N+](=O)[O-] 73370870 OVELHFYXOUIQDP-JTQLQIEISA-N 322.277 2.239 5 1 DEBF CC[C@@H]1C[N@@+]2([O-])CC[C@]34c5ccccc5N[C@H]3[C@@H](CO)[C@H]1C[C@@H]42 299806798 TWXSNNUYFGAFNA-FVKGJAPESA-N 314.429 2.474 5 1 DEBF CCOC(=O)c1cn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc1C 28459932 GMQHOFRUHMCIPS-UHFFFAOYSA-N 320.261 2.174 5 1 DEBF O=C(Oc1cccc2oc(=O)[nH]c12)c1ccc([N+](=O)[O-])cc1 95604000 YOAKXXSDMIDKKS-UHFFFAOYSA-N 300.226 2.249 5 1 DEBF Nc1ncc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1[N+](=O)[O-] 587268286 PETWQOIUXHWGSD-UHFFFAOYSA-N 300.234 2.024 5 1 DEBF C[C@H](Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)c1ccccc1 40936969 PTQWEICYVNJUTJ-JTQLQIEISA-N 321.358 2.415 5 1 DEBF N[C@@H](c1nc2cc3nc4ccccc4nc3cc2[nH]1)C1COC1 587255510 ITIAZUXTTONXLW-MRXNPFEDSA-N 305.341 2.306 5 1 DEBF O=[N+]([O-])c1ccc2c(c1)CCc1nc3nc(O)nc(O)c3cc1C2 587555899 TULCQXSOTXCNLG-UHFFFAOYSA-N 324.296 2.034 5 1 DEBF C[C@](O)(CF)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 13649224 DOKFODCPWNEOMY-JTQLQIEISA-N 310.203 2.273 5 1 DEBF COc1c(F)ccc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c1N 587132894 KJEPETDQBWIWHO-UHFFFAOYSA-N 303.253 2.263 5 1 DEBF Cc1oc(-c2nc3cc(S(C)(=O)=O)ccc3[nH]2)cc1[N+](=O)[O-] 587268507 AXVRHCMHAUIOJE-UHFFFAOYSA-N 321.314 2.443 5 1 DEBF Cc1cnc(C)n1[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 1857650301 ORJKFFROCNODHV-NSHDSACASA-N 304.306 2.088 5 1 DEBF Cc1c2ccnc(NC[C@@H](O)CO)c2cc2c3c[nH]ccc-3nc12 101218436 VGFTVZPSGYCTNT-LLVKDONJSA-N 322.368 2.289 5 1 DEBF COc1ccc2nc3ccccc3nc2c1C(=O)NCCN(C)C 27897651 GOOOWLOKSVNGDN-UHFFFAOYSA-N 324.384 2.083 5 1 DEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Cl)ncc3[nH]2)[C@H]1C[N+](=O)[O-] 587265644 XEIRITMEPGGNFL-VGMNWLOBSA-N 322.752 2.272 5 1 DEBF COc1cc(-c2ccc3c(O)nc(O)nc3n2)ccc1[N+](=O)[O-] 587554636 MDKQRUFSJZBTSI-UHFFFAOYSA-N 314.257 2.020 5 1 DEBF C=C[S@@](=O)c1sc(Cl)c(N2CCOCC2)c1[N+](=O)[O-] 4301282 JMYKVYIOIYMTPA-IBGZPJMESA-N 322.795 2.397 5 3 DEBF Nc1ncc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1[N+](=O)[O-] 587267701 DIONVWCXZNVCKK-UHFFFAOYSA-N 300.234 2.024 5 1 DEBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc(CO)cc2[nH]1 587270856 SCXRAYSSPNKIAM-ZDUSSCGKSA-N 312.329 2.206 5 1 DEBF CC[C@@H]1CN(c2cc(=O)n3ccc4ccccc4c3n2)CCO1 13608184 FFDVKXGMOXGQDE-CQSZACIVSA-N 309.369 2.463 5 1 DEBF Cc1c2oc3c(C)cc(F)c(C=O)c3nc-2c(C=O)c(N)c1=O 33430664 FZXCPKZDZYBQBV-UHFFFAOYSA-N 314.272 2.256 5 1 DEBF in-vitro O=[N+]([O-])c1ccn(CCCc2nc3cccc([N+](=O)[O-])c3[nH]2)n1 587274699 ZHZPIJHNBVAVLB-UHFFFAOYSA-N 316.277 2.209 5 1 DEBF CC(C)c1nn(C)c2c1[C@@H](c1cncc([N+](=O)[O-])c1)NCC2 962923465 ZCTMGKKZRJUUJA-OAHLLOKOSA-N 301.350 2.082 5 1 DEBF O=[N+]([O-])c1cccc(CN[C@@]23O[C@@H]4[C@@H]5[C@@H]6[C@H]([C@@H]7C[C@@H]6[C@@H]4[C@@H]72)[C@@H]53)c1 169362525 GKCCEHGRTWUFEG-UYPPVIEPSA-N 310.353 2.167 5 1 DEBF C[C@H](c1ccc(F)cc1)n1ccn2cc([N+](=O)[O-])nc2c1=O 1857581720 MFVQATDBMAIKLA-SECBINFHSA-N 302.265 2.153 5 1 DEBF Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)cc1 15174390 JAPFOGCBNAFZBR-UHFFFAOYSA-N 307.331 2.294 5 1 DEBF CCc1nn(C)c(C(=O)NCc2ccc([N+](=O)[O-])cc2)c1Cl 103177547 HLBGVZNWAUOGAS-UHFFFAOYSA-N 322.752 2.474 5 1 DEBF CC(=O)N1N=C(c2cccnc2)O[C@@H]1c1ccccc1[N+](=O)[O-] 103295377 USVZNFKQOMKUIB-OAHLLOKOSA-N 312.285 2.229 5 1 DEBF O=[N+]([O-])c1ccccc1CN[C@@]12O[C@H]3[C@@H]4[C@H]5C[C@@H]([C@@H]6[C@@H]5[C@@H]3[C@@H]61)[C@H]42 253660158 QLIBBSDFSQDDLG-OGXSZOORSA-N 310.353 2.167 5 1 DEBF CN(c1ccc([N+](=O)[O-])cc1OC1CCCC1)S(C)(=O)=O 13682018 NKKBPINOBZGQOL-UHFFFAOYSA-N 314.363 2.312 5 1 DEBF CCN(CC)CCCN1CC(=O)N(C)c2cc([N+](=O)[O-])ccc21 473135971 MBBFOIZHMBRVGF-UHFFFAOYSA-N 320.393 2.110 5 1 DEBF O=[N+]([O-])c1cccc2nc(CSc3cccc[n+]3[O-])[nH]c12 586968262 ASGLHHRKUPGWDL-UHFFFAOYSA-N 302.315 2.397 5 1 DEBF O=C1CS[C@H](c2c(F)cccc2F)N1[C@H]1CC[C@H]1[N+](=O)[O-] 299807965 DIEVHEDSLKQSSU-OPQQBVKSSA-N 314.313 2.347 5 1 DEBF COc1ccccc1/C=C/c1ncc([N+](=O)[O-])n1C[C@@H](C)O 96929048 AGGPGFFVBRMLNI-WSKFYRRCSA-N 303.318 2.351 5 1 DEBF O=C1CN(CCCN2CCCCC2)c2ccc([N+](=O)[O-])cc2N1 473134091 BPSWRKDBUVKHJP-UHFFFAOYSA-N 318.377 2.229 5 1 DEBF CC(C)(CC(=O)O)Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587956046 RRBFTLANKYZOAW-UHFFFAOYSA-N 322.277 2.423 5 1 DEBF COc1ccc2[nH]c3c(c4c(n5cccc35)C(=O)NC4=O)c2c1 84724912 KYSZMTKRAGNSIU-UHFFFAOYSA-N 305.293 2.466 5 1 DEBF COc1c2c3c(ccnc3c3c(O)cccc13)C(=O)C(=O)N2C 14516262 ZMQBRASCENYESU-UHFFFAOYSA-N 308.293 2.261 5 1 DEBF biogenic CCOC(=O)[C@](CC)(C(C)=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 3149799 GGNONWCYHGEEFC-CQSZACIVSA-N 324.289 2.303 5 1 DEBF biogenic O=[N+]([O-])c1ccc(-c2nnc3n2N[C@H](c2ccc[nH]2)S3)o1 72175894 UOGWMVHSIYXNEE-JTQLQIEISA-N 304.291 2.122 5 1 DEBF CC(=O)O[C@@H]1[C@H]2CC[C@H]1[C@@H]1[C@H]2N=NN1c1ccc([N+](=O)[O-])cc1 254143391 HTDOPPBDHXBYCB-BTFPBAQTSA-N 316.317 2.491 5 1 DEBF Nc1cc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c2ccccc2n1 587254326 RFPMYMSTDOTHAA-UHFFFAOYSA-N 306.285 2.664 5 1 DEBF O=C(O)[C@H](O)[C@H](O)c1nc2c3ccccc3c3ccccc3c2[nH]1 586885579 CMPATEDNOJVHMK-JKSUJKDBSA-N 322.320 2.348 5 1 DEBF Cn1ncc([N+](=O)[O-])c1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279858 DUZNHQXKJASRON-UHFFFAOYSA-N 316.229 2.214 5 1 DEBF CN(C)CCCNC(=O)c1cccc2nc3ccccc3nc12 5808522 JKMSMPGKSRAWDR-UHFFFAOYSA-N 308.385 2.465 5 1 DEBF CCCCNc1ccc(C(=O)OCC[N+](C)(C)CCCN)cc1 13672785 QXDCQICQQSQQFK-UHFFFAOYSA-O 322.473 2.481 5 1 DEBF C[C@@H](c1nc2ccc([C@H](N)N=O)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587275756 GGZVCMBTGVHKEV-JVXZTZIISA-N 315.293 2.001 5 1 DEBF O=C(O)C[C@@H](O)Cc1nc2cc3nc4ccccc4nc3cc2[nH]1 586887454 FJDQWUXNIOMHDZ-VIFPVBQESA-N 322.324 2.037 5 1 DEBF COC(=O)C[C@H](C)Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587787327 USWWBUKOWNFFKM-SSDOTTSWSA-N 322.277 2.121 5 1 DEBF COC(=O)C1=C(C)N=C(SC)N[C@@H]1c1cccc([N+](=O)[O-])c1 13740159 MVPKEMFRHCJQBS-GFCCVEGCSA-N 321.358 2.405 5 1 DEBF C/C(=C\C[C@@]12CCN(C)[C@@H]1[N+](C)(C)c1ccc(O)cc12)CO 144269068 AEBVWAUJMBGHNV-HOLBGWAUSA-O 303.426 2.201 5 1 DEBF CO[C@H](COc1cccc2ccccc12)C[N+](C)(C)CCO 28099093 RDVFLNVCFJGFHD-INIZCTEOSA-N 304.410 2.302 5 1 DEBF Nc1cc(C(=O)O)ccc1Cc1nc2cccc([N+](=O)[O-])c2[nH]1 587248907 BQMSHNWYJVBHOA-UHFFFAOYSA-N 312.285 2.342 5 1 DEBF COc1ccc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 587273563 IHVZWLZOMIJRMT-VIFPVBQESA-N 301.306 2.480 5 1 DEBF Cc1ccc(Cn2c(C)c(C)n3cc([N+](=O)[O-])nc3c2=O)cc1 1857534706 UNIOSRKXYXAKPC-UHFFFAOYSA-N 312.329 2.378 5 1 DEBF N[C@@]1(c2nc3cc([N+](=O)[O-])cnc3[nH]2)C[C@@H]1c1ccccc1F 587154870 UHGBCCFSEZXLLE-BMIGLBTASA-N 313.292 2.347 5 1 DEBF COc1c(O)c(OC)c2oc3cc(O)cc(C)c3c(=O)c2c1O 14647657 UUIMUKZSHBAGSU-UHFFFAOYSA-N 318.281 2.389 5 1 DEBF biogenic CCOc1ccc(C(=O)CN2C=C(C)C=C[C]2N)cc1[N+](=O)[O-] 2356867235 QIVFOMLIDSEGFE-UHFFFAOYSA-N 316.337 2.400 5 1 DEBF CC(=O)c1c(NNc2ccc([N+](=O)[O-])cc2)cc(C)oc1=O 73280502 UWUJLNLMQLXFOL-UHFFFAOYSA-N 303.274 2.498 5 1 DEBF C[C@@](O)(CF)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 13649222 DOKFODCPWNEOMY-SNVBAGLBSA-N 310.203 2.273 5 1 DEBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1nn(C)cc1[N+](=O)[O-])O2 587388448 BUCYPADCLJJCJQ-HNNXBMFYSA-N 316.317 2.100 5 1 DEBF CN1CCO[C@](O)(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1 473128432 ZQIQFGKIFFQDMD-KRWDZBQOSA-N 314.341 2.369 5 1 DEBF CC(=O)N1N=C(c2ccccc2)O[C@H]1c1ccc([N+](=O)[O-])o1 96913464 HGPKTFGSATYETK-AWEZNQCLSA-N 301.258 2.427 5 1 DEBF CC(C)(O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1O 95607315 TXGBFMUJGCQMKI-UHFFFAOYSA-N 308.212 2.029 5 1 DEBF Cc1cc2[nH]c([C@@H](C)Cn3cc([N+](=O)[O-])cn3)nc2c(C)n1 587273036 CVWZDNIUJNQDDD-QMMMGPOBSA-N 300.322 2.483 5 1 DEBF CC1=NC(=O)N[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]1C(=O)OC(C)C 169730075 FDQDEAFGKVKTIA-CHWSQXEVSA-N 319.317 2.388 5 1 DEBF O=C(/N=c1\[nH]c2ccc(F)c(F)c2[nH]1)c1cccc([N+](=O)[O-])c1 40565761 FIIOSTLPFOSGCQ-UHFFFAOYSA-N 318.239 2.424 5 1 DEBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3c(O)ncnc3[nH]2)c1F 587139644 NMBIWFHXMQQQQE-UHFFFAOYSA-N 309.644 2.426 5 1 DEBF COc1ccccc1CC(=O)c1nc2ncc([N+](=O)[O-])cc2[nH]1 587932256 WSZVONDMEWRUFA-UHFFFAOYSA-N 312.285 2.300 5 1 DEBF COC(=O)[C@H](N=O)c1ccc(Br)cc1[N+](=O)[O-] 957572235 WBDIPWCPXNIXPL-MRVPVSSYSA-N 303.068 2.338 5 1 DEBF CNC1=N[C@@H](c2ccccc2)c2cc([N+](=O)[O-])ccc2N(C)C1=O 169321165 ZMOJDUXNXWZWDQ-HNNXBMFYSA-N 324.340 2.279 5 1 DEBF O=[N+]([O-])c1ccc2c(c1)C[C@@H]([C@@H](c1ccccc1)n1cnnn1)O2 26184191 RYTXKAWKLRHFTJ-JKSUJKDBSA-N 323.312 2.174 5 1 DEBF CN(C)CCCNc1ccc2nnn3c4ccccc4c(=O)c1c23 100853234 KYGNKTSYAJKOQO-UHFFFAOYSA-N 321.384 2.197 5 1 DEBF CCCNc1nc(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2s1 96910789 PPIMMMLKLLPJSL-UHFFFAOYSA-N 310.291 2.295 5 1 DEBF O=[N+]([O-])c1c[nH]c(-c2nnc(-c3cccc([N+](=O)[O-])c3O)o2)c1 103281417 PENHDQDARATJLR-UHFFFAOYSA-N 317.217 2.254 5 1 DEBF C[N+](C)(C)CCOC(=O)Nc1ccncc1Br 28977287 VWOQCRMQOHQBNI-UHFFFAOYSA-O 303.180 2.099 5 1 DEBF O=[N+]([O-])c1cc2nc([C@H]3CC[C@@H](O)CC3)[nH]c2cc1[N+](=O)[O-] 586896585 OOEUCYNTXNSVEG-OCAPTIKFSA-N 306.278 2.398 5 1 DEBF O=C1CS[C@H](c2c(F)cccc2F)N1[C@H]1CC[C@@H]1[N+](=O)[O-] 40428806 DIEVHEDSLKQSSU-OUJBWJOFSA-N 314.313 2.347 5 1 DEBF OCCNCc1c2ccccc2c(CNCCO)c2ccccc12 28761601 OXGVIAOYVIBCAF-UHFFFAOYSA-N 324.424 2.157 5 1 DEBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cccc(C(=O)O)c2[nH]1 587274911 WHKPWFOAKKMZFQ-QMMMGPOBSA-N 315.289 2.170 5 1 DEBF COC(=O)[C@@H]1[C@@H](OC(=O)c2ccccc2)C[C@H]2CC[C@H]1[N+]2(C)C 100644999 NRJDVMYLISHSNW-WCVJEAGWSA-N 318.393 2.012 5 3 DEBF CNc1ncc2c(n1)c(NC1CC1)nc1cc(C(=O)O)ccc12 199793326 QVFOYWTZJGRSMS-UHFFFAOYSA-N 309.329 2.492 5 1 DEBF COc1cc([N+](=O)[O-])c(N2CCC(=O)NC2=O)cc1C(C)(C)C 84652968 BMTIPWCCSAJECY-UHFFFAOYSA-N 321.333 2.347 5 1 DEBF Cn1cc(C2=NC[C@@]3(C[N+]4([O-])CCC3CC4)O2)c2ccccc21 13451679 KZALJJIWYSXCCF-QZIMMCEPSA-N 311.385 2.432 5 1 DEBF CCc1[nH]c2ccc(S(C)(=O)=O)cc2c1C[C@@H](C)[N+](=O)[O-] 587650916 XCIDWTQWFBTZCG-SECBINFHSA-N 310.375 2.342 5 1 DEBF Cc1cccc2c1n(C)c1nc(-c3ccccc3)nc(=O)c-1[n+]2[O-] 101427632 JXKUMGMBMQUBCX-UHFFFAOYSA-N 318.336 2.042 5 1 DEBF O=[N+]([O-])c1ccccc1CN[C@]12O[C@H]3[C@H]4[C@@H]1[C@H]1C[C@@H]4[C@@H]4[C@@H]1[C@@H]2[C@H]34 194999885 QLIBBSDFSQDDLG-MORDOOMOSA-N 310.353 2.167 5 1 DEBF CNc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1[N+](=O)[O-] 587553327 GOFOPJICCDUQER-UHFFFAOYSA-N 313.273 2.053 5 1 DEBF Cn1nc([N+](=O)[O-])cc1-c1nc2cc(Br)ncc2[nH]1 587274298 IOIZJFMXVSIUKQ-UHFFFAOYSA-N 323.110 2.029 5 1 DEBF CC1(C)OC(=O)C(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)=C1N 587254967 AKTKJOKEDMXVBI-UHFFFAOYSA-N 322.708 2.130 5 1 DEBF CS(=O)(=O)/C=C\c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 586922572 ANJQYOYRJKPPOW-IHWYPQMZSA-N 301.711 2.140 5 1 DEBF COc1cc(CO)c2c(c1)oc(=O)c1cc(O)c(OC)cc12 140040229 QFMFJEWJLZEZLH-UHFFFAOYSA-N 302.282 2.161 5 1 DEBF O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc([N+](=O)[O-])s1 95562768 KPPWPQNDTUMUOJ-UHFFFAOYSA-N 300.277 2.273 5 1 DEBF CC[N+]1(C)CCN(C(=O)c2ccccc2Br)CC1 82052768 JGYSALOTFHMPGS-UHFFFAOYSA-N 312.231 2.371 5 1 DEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(Cl)nc3[nH]2)[C@H]1C[N+](=O)[O-] 587262207 GDEVPENXNNYFIP-VGMNWLOBSA-N 322.752 2.272 5 1 DEBF COc1cc2c(cc1O)C(=O)O[C@@H]1CC=C3CC[N+](C)([O-])[C@H]3[C@H]21 6482993 IRCPWLIFGUDILW-IPCZQBQASA-N 317.341 2.070 5 1 DEBF Cc1cccc2cc3c(O)ncc(C(=O)NCCN(C)C)c3nc12 25997479 MPCXYXJVELUNCQ-UHFFFAOYSA-N 324.384 2.088 5 1 DEBF Cc1ccnc2[nH]c([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)nc12 587263519 BHGPVTGQVBITGU-JTQLQIEISA-N 313.317 2.123 5 1 DEBF O=C(O)[C@H](O)[C@@H](O)c1nc2c3ccccc3c3ccccc3c2[nH]1 586885576 CMPATEDNOJVHMK-HZPDHXFCSA-N 322.320 2.348 5 1 DEBF COc1cc(O)c2c(=O)c3cc(O)c(OC)c(OC)c3oc2c1 14649048 JACQDZKEJDMRDC-UHFFFAOYSA-N 318.281 2.383 5 1 DEBF biogenic COc1cc(O)c2c(=O)c3c(O)c(OC)cc(OC)c3oc2c1 14648940 JKAOZIKMVJGWBK-UHFFFAOYSA-N 318.281 2.383 5 1 DEBF biogenic COc1cc(C[C@@H](O)c2cccnc2)c([N+](=O)[O-])cc1OC 1857754743 ZLFNBWJQXSVCLW-CYBMUJFWSA-N 304.302 2.283 5 1 DEBF COc1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c1 587265206 UYMYSKUUXWTCFM-ADEWGFFLSA-N 317.345 2.232 5 1 DEBF COc1cccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c12 587262673 HGZNUAKSYJYOFV-OUAUKWLOSA-N 317.345 2.232 5 1 DEBF CC(C)(C)OC(=O)N1CCN(Cc2ccc([N+](=O)[O-])o2)CC1 653780870 ZBLCEKGJFKRNDC-UHFFFAOYSA-N 311.338 2.241 5 1 DEBF Nc1cc(C(=O)O)ccc1Cc1nc2ccc([N+](=O)[O-])cc2[nH]1 587250663 VTLQSMJMNJSILW-UHFFFAOYSA-N 312.285 2.342 5 1 DEBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(CO)cc2[nH]1 587267623 NTYIAGVXTWWKOZ-SECBINFHSA-N 301.306 2.078 5 1 DEBF COc1ccc2nc3cccc(C(=O)NCCN(C)C)c3nc2c1 5808516 KXXQDLYRQKKJLH-UHFFFAOYSA-N 324.384 2.083 5 1 DEBF O=[N+]([O-])c1ccccc1-c1ccc(N2CCC(O)CC2)nn1 27203908 MCNXPIUSIOFZAX-UHFFFAOYSA-N 300.318 2.013 5 1 DEBF O=[N+]([O-])c1ccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2c1 587274052 RSPUCNVFIJAIQZ-UHFFFAOYSA-N 316.277 2.209 5 1 DEBF N[C@H](c1ccsc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587026672 MBXKDANALGMUMG-LLVKDONJSA-N 319.302 2.489 5 1 DEBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(C(=O)O)cc2[nH]1 587266911 CLEHYAXOCDLWTN-QMMMGPOBSA-N 315.289 2.284 5 1 DEBF CCN(CC)[N+](=O)NOc1ccc([N+](=O)[O-])cc1C(F)(F)F 377819832 NOHDHYQGYRTHOL-UHFFFAOYSA-N 323.251 2.448 5 1 DEBF Cn1cc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1/C=C/C(=O)O 26727568 OETJPGNVUJBHAG-VOTSOKGWSA-N 300.270 2.262 5 1 DEBF CCOC(=O)CNc1nc(Nc2ccccc2)ncc1[N+](=O)[O-] 653874634 UNBMWGBIKBKFCQ-UHFFFAOYSA-N 317.305 2.103 5 1 DEBF O=C(O)CCSc1nnc(-c2ccc([N+](=O)[O-])o2)s1 28569541 FKFQURJBNRJUHH-UHFFFAOYSA-N 301.305 2.273 5 1 DEBF COc1cccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c12 587262668 HGZNUAKSYJYOFV-DCAQKATOSA-N 317.345 2.232 5 1 DEBF CC(=O)N1N=C(c2ccncc2)O[C@H]1c1ccccc1[N+](=O)[O-] 33814455 QVAZDWUVGHUOAH-HNNXBMFYSA-N 312.285 2.229 5 1 DEBF CCn1nc(C)c2c(C)n(-c3cccc([N+](=O)[O-])c3)nc2c1=O 49112452 HVGHIPHXUCMVJT-UHFFFAOYSA-N 313.317 2.127 5 1 DEBF O=c1c2cc(Cl)ccc2cnn1-c1ccc([N+](=O)[O-])cn1 587653649 ZULIMNKCTQAWIM-UHFFFAOYSA-N 302.677 2.342 5 1 DEBF CCC(=O)N1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 64549366 UMXCVEHDFUBEMH-UHFFFAOYSA-N 320.349 2.117 5 1 DEBF O=C(O)CCc1c(C(=O)O)[nH]c2c([N+](=O)[O-])cc(Cl)cc12 299868795 SHHKTMLVDZWASS-UHFFFAOYSA-N 312.665 2.445 5 1 DEBF COC(=O)[C@H]1[C@H](OC(=O)c2ccccc2)C[C@H]2CC[C@H]1[N+]2(C)C 100649848 NRJDVMYLISHSNW-KLHDSHLOSA-N 318.393 2.012 5 3 DEBF COc1cc2c(cc1O)CC[N@@+]1([O-])CC=C3C=C[C@H](OC)C[C@]321 255222746 KJUGMBCUNNTOMY-ZOCIIQOWSA-N 315.369 2.382 5 1 DEBF O=C(Cc1nc2cc([N+](=O)[O-])cnc2[nH]1)OCc1ccccc1 587782971 ULJPOOBDVBJFIW-UHFFFAOYSA-N 312.285 2.152 5 1 DEBF C[C@@H](c1nc2cc3c(cc2[nH]1)OCO3)n1cc([N+](=O)[O-])cn1 587277327 SYLWEMDZLRODIX-ZETCQYMHSA-N 301.262 2.006 5 1 DEBF O=C(NC1CCCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc2c1=O 26384882 VNZPSPAGYZMUMM-UHFFFAOYSA-N 315.329 2.499 5 1 DEBF COc1cc2oc3c(OC)c(O)cc(O)c3c(=O)c2cc1O 205257443 BWHTUIWFSOQEBH-UHFFFAOYSA-N 304.254 2.080 5 1 DEBF CN[C@H](c1cccnc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587222349 KDDWOIYLYMTZTE-CYBMUJFWSA-N 301.281 2.314 5 1 DEBF COc1ccc(NC(=O)OCCn2c([N+](=O)[O-])cnc2C)cc1 231724 YOSGGGXVELAQRW-UHFFFAOYSA-N 320.305 2.357 5 3 DEBF O=[N+]([O-])c1cccc(S(=O)(=O)N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2)c1 4103721 DXWQZNFBBKSITD-JLUCKKNBSA-N 320.370 2.037 5 1 DEBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4cnccc4[nH]3)nn2)c1 587270216 SKBQYAZEGYMIAF-UHFFFAOYSA-N 307.273 2.114 5 1 DEBF O=[N+]([O-])c1ccc(-c2nnc3n2N[C@@H](c2ccco2)S3)o1 72175059 RYEWFAHXJRAMEP-SNVBAGLBSA-N 305.275 2.387 5 1 DEBF O=[N+]([O-])c1cc(CSc2cccc[n+]2[O-])cc([N+](=O)[O-])c1 169332069 RPWJISKSTNKFKD-UHFFFAOYSA-N 307.287 2.429 5 1 DEBF COc1c(O)cc(C)c2c(=O)c3c(O)cc(O)c(OC)c3oc12 14647663 QWPLJWMHZGDSRF-UHFFFAOYSA-N 318.281 2.389 5 1 DEBF biogenic O=c1nc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2c(=O)[nH]1 29331180 IXYNCRYNLVXGDJ-UHFFFAOYSA-N 324.727 2.227 5 1 DEBF O=[N+]([O-])c1cccnc1NCc1nc2cc3cn[nH]c3cc2[nH]1 587269712 ZKZSYHWJIWZMFK-UHFFFAOYSA-N 309.289 2.355 5 1 DEBF COC(=O)c1c(O)c(C)cc2c(=O)c3c(O)cccc3oc12 2356838254 LRKZMZLTEMYZDJ-UHFFFAOYSA-N 300.266 2.452 5 1 DEBF COc1ccc2[nH]c3c4cn[nH]c4c4c(c3c2c1)C(=O)NC4=O 84669718 CKGKPUXJRNHXBS-UHFFFAOYSA-N 306.281 2.090 5 1 DEBF COc1ccc2[nH]/c(=N\C(=O)c3cccc([N+](=O)[O-])c3)[nH]c2c1 36184951 RRGQOOYVIKKQCD-UHFFFAOYSA-N 312.285 2.154 5 1 DEBF CN(C)CCCCCN1CC(=O)Nc2cc([N+](=O)[O-])ccc21 103260818 TYAQLXZWZCGTGT-UHFFFAOYSA-N 306.366 2.085 5 1 DEBF O=C(O)[C@@H](O)[C@H](O)c1nc2c3ccccc3c3ccccc3c2[nH]1 586885575 CMPATEDNOJVHMK-HOTGVXAUSA-N 322.320 2.348 5 1 DEBF CC(C)CCNC(=O)[C@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 8578684 ZRWZFDPFBNQPHL-CQSZACIVSA-N 305.334 2.250 5 3 DEBF Cc1ccc2c(c1)[n+]([O-])c1c(=O)nc(-c3ccccc3)nc-1n2C 101078969 LMMVFHAFEXMOLU-UHFFFAOYSA-N 318.336 2.042 5 1 DEBF COc1ccc(C(=O)OC2C[C@H]3CC[C@H](C2)[N+]3(C)[O-])cc1OC 100652903 WAXSPCSJSGNROP-ZBUWUSMVSA-N 321.373 2.498 5 1 DEBF COc1ccc(Cc2nc3cncc([N+](=O)[O-])c3[nH]2)cc1OC 587926600 MJNTVZBCAMSAHC-UHFFFAOYSA-N 314.301 2.474 5 1 DEBF CCCc1sc(N)nc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 587013794 YNBQFKLEPZWBLL-UHFFFAOYSA-N 304.335 2.524 5 1 DEBF COc1cc(O)c2c(=O)c3c(O)c(OC)ccc3oc2c1OC 14648971 ZNARIKIJOHPGTA-UHFFFAOYSA-N 318.281 2.383 5 1 DEBF biogenic,in-vitro NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(Cl)nc1 95920674 RLTGDIGMSOHYGA-UHFFFAOYSA-N 306.709 2.354 5 1 DEBF in-vitro O=[N+]([O-])c1ncn(CCCNc2nc3ccccc3s2)n1 96938750 KVYYUZCVBXKZNZ-UHFFFAOYSA-N 304.335 2.298 5 1 DEBF O=C(c1cc([N+](=O)[O-])n[nH]1)n1nc2cc1Oc1ccc(F)cc1-2 587876131 ZMMCBFBKJYXRPZ-UHFFFAOYSA-N 315.220 2.115 5 1 DEBF CSC1=NC(=O)[C@@]2(CC(C)(C)Oc3ccc([N+](=O)[O-])cc32)N1 29307452 AHMYTNCGRFLEGX-AWEZNQCLSA-N 321.358 2.200 5 1 DEBF Cc1ncc([N+](=O)[O-])n1Cc1nnc(Cc2ccc(F)cc2)o1 84758293 YPLRQDRTDYQRHH-UHFFFAOYSA-N 317.280 2.261 5 1 DEBF O=[N+]([O-])c1cc(-c2ccc3c(O)nc(O)nc3n2)ccc1F 587368659 UPCIIMKNJNMOQV-UHFFFAOYSA-N 302.221 2.150 5 1 DEBF CCOC(=O)C1=C(C)N=C(OC)N[C@@H]1c1cccc([N+](=O)[O-])c1 26579251 RVBQIBMRQBVLMH-CYBMUJFWSA-N 319.317 2.079 5 1 DEBF Cc1nc([N+](=O)[O-])cn1CC(=O)CNc1cccc(Cl)c1 98083327 HGFCYFDCISOYDV-UHFFFAOYSA-N 308.725 2.434 5 1 DEBF CN(C)C(=O)Cc1nc2c3cccnc3c3ncccc3c2[nH]1 587197116 JDEXUESWNYYZOK-UHFFFAOYSA-N 305.341 2.290 5 1 DEBF CCC(=O)/N=c1/sc2cc([N+](=O)[O-])ccc2n1CCOC 13139098 FIFTWEVKOCDCFO-BUHFOSPRSA-N 309.347 2.095 5 1 DEBF Nc1cc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2cc1N 587159210 MXJIVXRYWRECNJ-UHFFFAOYSA-N 317.280 2.354 5 1 DEBF Cc1oc(-c2nc3cc(S(=O)(=O)O)ccc3[nH]2)cc1[N+](=O)[O-] 587268517 BIHURSWTVGWOLP-UHFFFAOYSA-N 323.286 2.286 5 1 DEBF Cc1ccc(Cc2ccc3c(O)nc(O)nc3n2)c([N+](=O)[O-])c1 587555801 SIXRHRFZETTWHM-UHFFFAOYSA-N 312.285 2.243 5 1 DEBF O=C(O)COCc1nc2cc3nc4ccccc4nc3cc2[nH]1 587562896 IQCGSGWBTRXBDO-UHFFFAOYSA-N 308.297 2.261 5 1 DEBF O=[N+]([O-])c1ccc2nc(CS(=O)(=O)C3CCCC3)[nH]c2c1 586924406 PVXXWFRUEBNSJX-UHFFFAOYSA-N 309.347 2.329 5 1 DEBF CC(=O)Oc1cc2c3c(c1)c1cc4c(cc1c(=O)n3CC2)OCO4 53313837 VHNJOZWUOKSPNS-UHFFFAOYSA-N 323.304 2.365 5 1 DEBF O=[N+]([O-])c1ccc(CN[C@]23O[C@H]4[C@@H]5[C@H]6C[C@H]([C@@H]52)[C@@H]2[C@@H]6[C@@H]4[C@@H]23)cc1 646624634 WBMNXQSYOIMHCG-WHWCGYEVSA-N 310.353 2.167 5 1 DEBF NC1CCC(c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)CC1 587256371 HDCYNEJFEZTSTP-UHFFFAOYSA-N 305.294 2.364 5 1 DEBF COc1c2c(cc3oc4cc5c(cc4c(=O)c13)OCO5)OCO2 14648896 HOZBZDJZIGVGHQ-UHFFFAOYSA-N 314.249 2.412 5 1 DEBF biogenic O=C1NC(=O)C(c2ccccc2[N+](=O)[O-])=C1Nc1ccccc1 27710913 VHACDAGXPXQUCT-UHFFFAOYSA-N 309.281 2.074 5 1 DEBF N[C@H]1CC[C@@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587246038 BGARRBPYMXQSIW-BQBZGAKWSA-N 311.139 2.438 5 1 DEBF O=[N+]([O-])c1ccc(Nc2ccc(N3C[C@@H]4C[C@H](C3)N4)cn2)cc1 1857632700 ZQHLHLOXNNOIQM-BETUJISGSA-N 311.345 2.284 5 1 DEBF CC[C@H](C)NC(=O)c1nc(-c2cccc([N+](=O)[O-])c2)cnc1N 473105951 UXEKTMIXBMPJRC-VIFPVBQESA-N 315.333 2.162 5 1 DEBF COc1cc(O)c2c(=O)c3c(O)ccc(OC)c3oc2c1OC 14648994 BLPDCVFTJDMECP-UHFFFAOYSA-N 318.281 2.383 5 1 DEBF biogenic Nc1ccc(C(=O)CCc2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 587252087 VTCFUSSECQBGPR-UHFFFAOYSA-N 311.301 2.264 5 1 DEBF O=[N+]([O-])c1ccc2c(c1NCCO)NC1(CCCCC1)[N+]2=O 139469214 MLXSTFATWRJTIQ-UHFFFAOYSA-N 307.330 2.495 5 1 DEBF CN1CCN(C(=O)c2cc3cc(Cl)cc([N+](=O)[O-])c3[nH]2)CC1 84670208 FKACYPTZQOXPJW-UHFFFAOYSA-N 322.752 2.117 5 1 DEBF O=C([CH-]c1nc2cc([N+](=O)[O-])ccc2[nH]c1=O)c1ccccc1 169688892 MPIZCNUUCUYEMC-UHFFFAOYSA-N 308.273 2.267 5 1 DEBF COC(=O)[C@@H]1C(C(C)C)=NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 169730072 GHYAPWMBHNILQF-YPMHNXCESA-N 319.317 2.245 5 1 DEBF CC1(C)Oc2ccc([N+](=O)[O-])cc2[C@]2(n3ccccc3=O)O[C@H]12 27556693 VPULINSAXWEXGA-ZBFHGGJFSA-N 314.297 2.027 5 1 DEBF O=[N+]([O-])c1cccc2c1CCc1cc3c(O)nc(O)nc3nc1-2 587556759 ZTGZPNSWHMLMPL-UHFFFAOYSA-N 310.269 2.110 5 1 DEBF CC(C)(C)OC(=O)[C@H](N)CCc1nc2ccc([N+](=O)[O-])cc2[nH]1 587256681 MRLCMLYIXGCVNG-SNVBAGLBSA-N 320.349 2.073 5 1 DEBF O=C(/C=C/c1ccccc1[N+](=O)[O-])n1[nH][n+](=O)c2ccccc21 1772622050 LMEDSUYSRYJFII-MDZDMXLPSA-N 311.277 2.146 5 1 DEBF O=[N+]([O-])c1cc2nc(COC(F)(F)F)[nH]c2cc1[N+](=O)[O-] 587122315 BOYSRNLDKCKXSJ-UHFFFAOYSA-N 306.156 2.416 5 1 DEBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2c(Cl)ncnc2[nH]1 587268211 OUEOGFYDQHCRPK-UHFFFAOYSA-N 321.728 2.283 5 1 DEBF C[C@H](CCC(=O)O)Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587962223 BNISUJQHBFDWKJ-SSDOTTSWSA-N 322.277 2.423 5 1 DEBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccnc(Cl)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587261846 DEUJEUOOLGVHCE-IWSPIJDZSA-N 322.752 2.272 5 1 DEBF Cc1c(Br)c(=O)oc2c([N+](=O)[O-])c(O)ccc12 29132305 LLESFYFHXHZKDP-UHFFFAOYSA-N 300.064 2.478 5 1 DEBF O=C(COC(=O)[C@H]1C[C@@H]2C=C[C@H]1C2)Nc1ccc([N+](=O)[O-])cc1 5505433 BPLOXGHFUHUKIW-SUNKGSAMSA-N 316.313 2.289 5 1 DEBF O=[N+]([O-])c1cc2nc(C3CC4(COC4)C3)[nH]c2cc1[N+](=O)[O-] 586914778 BWXUMPMSPJCYNE-UHFFFAOYSA-N 304.262 2.273 5 1 DEBF O=C(COC(=O)[C@H]1C[C@@H]2C=C[C@@H]1C2)Nc1ccc([N+](=O)[O-])cc1 104175136 BPLOXGHFUHUKIW-GYSYKLTISA-N 316.313 2.289 5 1 DEBF CN(C)[C@@](C)(C(=O)OC1CC[N+](C)(C)CC1)c1ccccc1 73158407 QEBAODYBLVOGEJ-GOSISDBHSA-N 305.442 2.245 5 1 DEBF COc1c(OC)c(O)c2c(=O)c3cccc(O)c3oc2c1OC 238781974 YXCUBCSFRXZFSG-UHFFFAOYSA-N 318.281 2.383 5 1 DEBF N[C@]1(c2nc3cc4nc5ccccc5nc4cc3[nH]2)CCOC1 587248249 JLNMBBJLDKATOM-QGZVFWFLSA-N 305.341 2.234 5 1 DEBF CC(=O)O[C@H]1[C@H]2CC[C@@H]1[C@@H]1[C@@H]2N=NN1c1ccc([N+](=O)[O-])cc1 5858289 HTDOPPBDHXBYCB-JARUQAPTSA-N 316.317 2.491 5 1 DEBF C[C@H](O)Cn1c([N+](=O)[O-])cnc1/C=C/c1cccc([N+](=O)[O-])c1 96929067 LFIKHFSMLLDOJC-PORFMDCZSA-N 318.289 2.251 5 1 DEBF O=C(CC[C@H]1C(=O)C2CCN1CC2)c1ccc([N+](=O)[O-])cc1 26385044 SEFPHJKLKDHARB-AWEZNQCLSA-N 302.330 2.221 5 1 DEBF O=[N+]([O-])c1cnc2[nH]c(C34CCC(CO)(CC3)CC4)nc2c1 586899593 QEXLNBSITQFZTL-UHFFFAOYSA-N 302.334 2.450 5 1 DEBF O=C(O)CN(C(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 3790582 FTYMQXKRULTMEE-UHFFFAOYSA-N 300.270 2.326 5 1 DEBF COc1cc(O)c2c(c1)cc1c3c(cc(=O)oc32)O[C@@](C)(O)C1 2356845629 OGUHVFHECGLHRF-QGZVFWFLSA-N 314.293 2.304 5 1 DEBF O=[N+]([O-])c1ccc2[nH]cc(-c3ccc4c(O)nc(O)nc4n3)c2c1 587553725 HIGKVYTXAWPMPH-UHFFFAOYSA-N 323.268 2.493 5 1 DEBF O=C(COC(=O)[C@@H]1C[C@@H]2C=C[C@H]1C2)Nc1ccc([N+](=O)[O-])cc1 5505431 BPLOXGHFUHUKIW-UHIISALHSA-N 316.313 2.289 5 1 DEBF COC(=O)C1=C(C(C)C)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 76216793 HVTWQRXLPHDMEC-CYBMUJFWSA-N 319.317 2.032 5 1 DEBF O=[N+]([O-])c1ccccc1CN[C@@]12O[C@@H]3[C@H]4[C@@H]1[C@@H]1[C@@H]5C[C@H]([C@@H]3[C@@H]52)[C@@H]41 253660157 QLIBBSDFSQDDLG-BHVHLLAGSA-N 310.353 2.167 5 1 DEBF COc1ccc2c(=O)c3cccc(CN[C@@H](C)CO)c3oc2c1 95588941 ZGIVCOVEGQBZSM-NSHDSACASA-N 313.353 2.425 5 1 DEBF CC[N+]1(CCOC(=O)[C@@H](CO)c2ccccc2)CCCCC1 42966417 XKVJIEZQWRWRHD-KRWDZBQOSA-N 306.426 2.326 5 1 DEBF COc1cc(O)cc2c(=O)oc3cc(C)cc(O)c3c(=O)c12 139141010 VJFPLCHRWFQSPY-UHFFFAOYSA-N 300.266 2.035 5 1 DEBF COc1cccc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c12 587272788 AJZACERRIPMERT-SECBINFHSA-N 301.306 2.480 5 1 DEBF Cc1ccnc2c1CCN[C@@H]2c1cc(C=O)c(O)c([N+](=O)[O-])c1 963078587 YGNWYIZCOSTJBB-CQSZACIVSA-N 313.313 2.051 5 1 DEBF O=C(Cc1nc2cncc([N+](=O)[O-])c2[nH]1)OCc1ccccc1 587782867 RLDFQKWVOCLLFP-UHFFFAOYSA-N 312.285 2.152 5 1 DEBF Cc1cc2[nH]c([C@H](N)Cc3cscn3)nc2cc1[N+](=O)[O-] 587029728 SZWXGAODSQITJO-SECBINFHSA-N 303.347 2.479 5 1 DEBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccnc(O)c2[nH]1 587159788 YTNQHHHQZJJYFD-UHFFFAOYSA-N 304.237 2.290 5 1 DEBF C[C@H](c1nc2cc(F)cc(C(=O)O)c2[nH]1)n1cc([N+](=O)[O-])cn1 587277189 QGTKPCLQFFMVQP-ZCFIWIBFSA-N 319.252 2.114 5 1 DEBF CNc1ccc(OC)cc1S(=O)(=O)c1ccccc1[N+](=O)[O-] 1642742 GZFALTFVEVCIOD-UHFFFAOYSA-N 322.342 2.478 5 1 DEBF O=[N+]([O-])c1cc2nc(C[S@](=O)CC3CC3)[nH]c2cc1[N+](=O)[O-] 586959708 PNSFVBHCPKOUMN-JOCHJYFZSA-N 324.318 2.038 5 1 DEBF O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 100481893 PQPQVZIFCZGIFQ-IJLUTSLNSA-N 310.375 2.309 5 1 DEBF COc1ccc(CCN2CC[N+]3(CC2)C[C@H](C)O[C@@H](C)C3)cc1 28961814 VLFNYTWLNNZDQY-IRXDYDNUSA-N 319.469 2.177 5 1 DEBF O=C(Oc1cccc2oc(=O)[nH]c12)c1cccc([N+](=O)[O-])c1 95601097 BKTBBNOOBGADMJ-UHFFFAOYSA-N 300.226 2.249 5 1 DEBF O=C(O)Cc1cc2c(c([N+](=O)[O-])c1)OCc1ccccc1C2=O 169340364 KPHCBABFJYEDDL-UHFFFAOYSA-N 313.265 2.345 5 1 DEBF CC(C)(C)C(=O)N1C[C@@H]2CN(Cc3ccc([N+](=O)[O-])o3)C[C@H]2C1 1857642553 HBIHUEBSEHKLRR-RYUDHWBXSA-N 321.377 2.124 5 1 DEBF Cc1nc(N[C@H]2CCSC2)nc(-n2ccnc2C)c1[N+](=O)[O-] 28821494 HOABTPBDLLWAEX-JTQLQIEISA-N 320.378 2.105 5 1 DEBF NC(=O)c1cc([N+](=O)[O-])c(Cl)cc1NCc1ccncc1 36387456 OCJCFQOYGYUUMS-UHFFFAOYSA-N 306.709 2.354 5 3 DEBF Cc1nc(N[C@@H]2CCSC2)nc(-n2ccnc2C)c1[N+](=O)[O-] 28821493 HOABTPBDLLWAEX-SNVBAGLBSA-N 320.378 2.105 5 1 DEBF CS(=O)(=O)c1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 169322569 NRJQSPAMWQZVEY-UHFFFAOYSA-N 318.306 2.048 5 1 DEBF O=C(COC(=O)[C@@H]1C[C@H]2C=C[C@@H]1C2)Nc1ccc([N+](=O)[O-])cc1 104175147 BPLOXGHFUHUKIW-MISXGVKJSA-N 316.313 2.289 5 1 DEBF O=[N+]([O-])c1cncc2nc(Cc3csc4nccn34)[nH]c12 587040376 JWZUKZISVXBIIX-UHFFFAOYSA-N 300.303 2.166 5 1 DEBF COc1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c1 587265211 UYMYSKUUXWTCFM-ZMLRMANQSA-N 317.345 2.232 5 1 DEBF COc1cc(OC)c2[nH]c([C@H](C)n3cc([N+](=O)[O-])cn3)nc2c1 587275734 GDGQXJONHDIRQC-QMMMGPOBSA-N 317.305 2.294 5 1 DEBF COC(=O)c1cccc2oc3cc(C(=O)O)cc(O)c3c(=O)c12 142082523 KZGBTYFIKLGTBK-UHFFFAOYSA-N 314.249 2.137 5 1 DEBF O=C1CSC[C@@H](c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)N1 587042867 HZDZCYBZZRGASS-QMMMGPOBSA-N 312.738 2.029 5 1 DEBF COc1cc(-c2nc3ccnc(O)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587261224 ZKNCGEVTPBTCBC-UHFFFAOYSA-N 316.273 2.256 5 1 DEBF Nc1ccnc2[nH]c(COc3cc(F)ccc3[N+](=O)[O-])nc12 587159229 NMXMSOJIMMDQIS-UHFFFAOYSA-N 303.253 2.166 5 1 DEBF Cc1c(Br)cc2nc(O)c(O)nc2c1[N+](=O)[O-] 13478384 VDJXQWGIDBTVDQ-UHFFFAOYSA-N 300.068 2.020 5 1 DEBF COc1ccc2c(=O)c3c(O)cc(O)cc3n(C)c2c1OC 14725174 RPXHTTDVHFFAHL-UHFFFAOYSA-N 301.298 2.120 5 1 DEBF biogenic CCCCCC[C@@H]([C@@H](C)O)[N+]1([O-])C(O)=Nc2c(N)ncnc21 169714031 KQLKDNMOHIBDED-VWTUNWRZSA-N 309.370 2.143 5 1 DEBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587273564 IHXMDSYWGWEYAV-MRVPVSSYSA-N 316.277 2.380 5 1 DEBF COc1cc(OC[C@H]2CO2)cc2c1c(=O)c1ccccc1n2C 45290720 SUAHNLBXEIMQMQ-LBPRGKRZSA-N 311.337 2.478 5 1 DEBF CCOC(=O)c1cn(-c2c(C)[nH]c3cc([N+](=O)[O-])ccc23)nn1 587647747 OBZRQPZHMSSHEY-UHFFFAOYSA-N 315.289 2.142 5 1 DEBF CC[N+]1(CCOC(=O)[C@H](CO)c2ccccc2)CCCCC1 42966419 XKVJIEZQWRWRHD-QGZVFWFLSA-N 306.426 2.326 5 1 DEBF COC(=O)Nc1ccc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)cn1 587245777 XPCFFCDVFBAIBJ-UHFFFAOYSA-N 314.261 2.106 5 1 DEBF O=[N+]([O-])c1ccccc1CN[C@@]12O[C@H]3[C@H]4[C@@H]1[C@H]1C[C@@H]4[C@@H]4[C@@H]1[C@@H]2[C@H]34 194999906 QLIBBSDFSQDDLG-SOCMUDBESA-N 310.353 2.167 5 1 DEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Cl)cnc3[nH]2)[C@@H]1C[N+](=O)[O-] 587263956 PORYYUAEDSTSPQ-FKTZTGRPSA-N 322.752 2.272 5 1 DEBF Cc1c(O)c([N+](=O)[O-])cc2cc(Br)c(=O)oc12 29132048 CCAAUVVRSQJJRV-UHFFFAOYSA-N 300.064 2.478 5 1 DEBF O=c1[nH]c2c(Cl)cc(C(F)(F)F)c([N+](=O)[O-])c2nc1O 13743995 DRMFOVJCLGSYFL-UHFFFAOYSA-N 309.587 2.209 5 1 DEBF C[C@@](O)(CO)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 28818410 GWJUFRRJSUNOGQ-LLVKDONJSA-N 304.224 2.295 5 1 DEBF Cc1cc2[nH]c(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])nc2c(C)n1 587262772 HWJQCVUXSWTIET-JFUSQASVSA-N 316.361 2.235 5 1 DEBF COc1ccc2c3c1O[C@H]1C[C@@H](O)CC[C@@]31CC[N+](C)([O-])C2 15250942 PMEAJDXXFCZXSF-FVWDGWMTSA-N 305.374 2.087 5 1 DEBF O=[N+]([O-])c1ccccc1CN[C@]12O[C@H]3[C@@H]4[C@H]5C[C@H]([C@@H]41)[C@H]1[C@H]2[C@H]3[C@H]51 253660160 QLIBBSDFSQDDLG-UDRXZECGSA-N 310.353 2.167 5 1 DEBF COc1cc2c3c(c1)O[C@H](c1ncccc1[N+](=O)[O-])[C@@H](C2)C3=O 587434809 ZYKFJNLYKXJCPQ-QFYYESIMSA-N 312.281 2.487 5 1 DEBF CCCc1nn(C)c2c(=O)[nH]c(-c3ccccc3[N+](=O)[O-])nc12 29485550 YCUPRYDDWADPAJ-UHFFFAOYSA-N 313.317 2.184 5 1 DEBF COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccccc1O 40846731 NKUGRFXFAZYXEO-UHFFFAOYSA-N 302.286 2.490 5 1 DEBF O=C1CS[C@@H](c2c(F)cccc2F)N1[C@@H]1CC[C@@H]1[N+](=O)[O-] 40428805 DIEVHEDSLKQSSU-NRUUGDAUSA-N 314.313 2.347 5 1 DEBF Cc1nc2nc(O)nc(O)c2cc1Cc1ccccc1[N+](=O)[O-] 587556240 WNOUULJBDNGMSA-UHFFFAOYSA-N 312.285 2.243 5 1 DEBF O=C(O)c1ccc2oc3ccc(OCCO)cc3c(=O)c2c1 26013454 NADDLRWCPPNNBA-UHFFFAOYSA-N 300.266 2.016 5 1 DEBF CCOc1ccc(C(=O)CN2C=CS[C]2N)cc1[N+](=O)[O-] 2356872675 QBXRWPSDCNZGHI-UHFFFAOYSA-N 308.339 2.102 5 1 DEBF Nc1nc2ccc3cc(N)c(Br)cc3c2c(=O)[nH]1 13832416 GTZWEQSBSGTYQY-UHFFFAOYSA-N 305.135 2.003 5 1 DEBF O=[N+]([O-])c1cccc(CN[C@]23O[C@@H]4[C@H]5[C@@H]2[C@H]2C[C@@H]5[C@@H]5[C@@H]2[C@@H]3[C@H]45)c1 195187689 GKCCEHGRTWUFEG-WDELBTQKSA-N 310.353 2.167 5 1 DEBF CCOc1n[nH]c(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c1Cl 587065316 NULKUVXOIWRNGI-UHFFFAOYSA-N 308.685 2.308 5 1 DEBF O=[N+]([O-])c1ccc(C[C@@]2(O)c3ccccc3C3=NCCN32)cc1 28954071 IFVLJOUMXJEVBG-QGZVFWFLSA-N 309.325 2.058 5 1 DEBF COc1cc(OC)c2[nH]c(-c3cnc(N)c([N+](=O)[O-])c3)nc2c1 587268388 VAUDYRLNXQOOLV-UHFFFAOYSA-N 315.289 2.133 5 1 DEBF NC(=O)c1cccc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c12 587270299 LPCJIYKIWPFVAX-UHFFFAOYSA-N 310.313 2.355 5 1 DEBF Cc1c(-c2nc3c(O)nc(S)nc3[nH]2)cccc1[N+](=O)[O-] 587262459 UMZBDNDUPOUFQG-UHFFFAOYSA-N 303.303 2.231 5 1 DEBF Cc1cc2[nH]c(Cn3c([N+](=O)[O-])cnc3C)nc2cc1[N+](=O)[O-] 587274118 MXVGGWSNKXGJNV-UHFFFAOYSA-N 316.277 2.241 5 1 DEBF O=C(COC(=O)[C@@H]1C[C@@H]2C=C[C@H]1C2)Nc1ccccc1[N+](=O)[O-] 5785244 QNQSWEBDKKSBPP-GRYCIOLGSA-N 316.313 2.289 5 1 DEBF C[N+](C)(C)CCS(=O)(=O)Cc1ccc(Br)cc1 103249138 WTHXMWMNHLDBDV-UHFFFAOYSA-N 321.260 2.070 5 1 DEBF C[N+]1(C)[C@H]2CC[C@@H]1CC(OC(=O)n1c(=O)[nH]c3ccccc31)C2 26188289 NDHRWNBDOBNPLT-FUNVUKJBSA-O 316.381 2.084 5 1 DEBF O=[N+]([O-])c1cccc(-c2ccc(N3CCC(O)CC3)nn2)c1 27204829 CJHHADPXYLZKEK-UHFFFAOYSA-N 300.318 2.013 5 1 DEBF O=C1c2ccoc2CC[C@H]1Cc1nc2cc([N+](=O)[O-])cnc2[nH]1 586908754 UUKLAIQEBHNSSF-QMMMGPOBSA-N 312.285 2.447 5 1 DEBF O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2)cc1 4103719 RUQXZTHQFIRYFB-JLUCKKNBSA-N 320.370 2.037 5 1 DEBF Nc1cc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c2ccccc2n1 587254670 WIBDXNFTZNUQEC-UHFFFAOYSA-N 306.285 2.664 5 1 DEBF COc1cc2c(=O)c3c(O)cc(O)cc3oc2c(OC)c1O 14649042 QHODVXXXBGXNKC-UHFFFAOYSA-N 304.254 2.080 5 1 DEBF biogenic O=[N+]([O-])c1cn(C[C@H](O)c2ccccc2)c(Br)n1 66077266 QRRZWSJJYZLTDQ-VIFPVBQESA-N 312.123 2.287 5 1 DEBF O=C(CC[C@@H]1C(=O)C2CCN1CC2)c1ccc([N+](=O)[O-])cc1 26385041 SEFPHJKLKDHARB-CQSZACIVSA-N 302.330 2.221 5 1 DEBF CC(=O)N1N=C(c2ccncc2)O[C@@H]1c1ccccc1[N+](=O)[O-] 33814456 QVAZDWUVGHUOAH-OAHLLOKOSA-N 312.285 2.229 5 1 DEBF O=C(CCc1cc2c(cc1[N+](=O)[O-])OCO2)Nc1ccccn1 96935511 RVLKXBAKIYPOHY-UHFFFAOYSA-N 315.285 2.290 5 1 DEBF COC(=O)c1cc(C)cc2oc3cc(O)cc(O)c3c(=O)c12 2356807659 XZQLXNCJYTUBJX-UHFFFAOYSA-N 300.266 2.452 5 1 DEBF CC[C@H](C)NC(=O)c1nc(-c2ccccc2[N+](=O)[O-])cnc1N 473100617 IMSUEMLRFPSOAM-VIFPVBQESA-N 315.333 2.162 5 1 DEBF O=c1c2cc3ccccc3cc2nc2ccc(-c3nnn[nH]3)cn12 27855430 XWYZQBWDVLSSPV-UHFFFAOYSA-N 314.308 2.181 5 1 DEBF COc1cc(C[C@H](O)c2ccncc2)c([N+](=O)[O-])cc1OC 1857641311 HIDURKIMQRWSOA-ZDUSSCGKSA-N 304.302 2.283 5 1 DEBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(CCO)cc2[nH]1 587274979 YQLWOXZKYKEKFV-JTQLQIEISA-N 315.333 2.006 5 1 DEBF C[C@H](O)Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 586892689 VHIFBQGJZZSIBF-YFKPBYRVSA-N 300.112 2.157 5 1 DEBF O=[N+]([O-])c1cccnc1NCc1nc2cc3c(cc2[nH]1)OCO3 587268562 DSDWXKPSXIFVDE-UHFFFAOYSA-N 313.273 2.207 5 1 DEBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc3cn[nH]c3cc2[nH]1 587274856 UUEIPAVNRGTYNC-MRVPVSSYSA-N 311.305 2.348 5 1 DEBF COc1cc(C[C@H](O)c2cccnc2)c([N+](=O)[O-])cc1OC 1857755969 ZLFNBWJQXSVCLW-ZDUSSCGKSA-N 304.302 2.283 5 1 DEBF O=C1c2ccoc2CC[C@H]1Cc1nc2cncc([N+](=O)[O-])c2[nH]1 586909226 WWBQUMGXHSUWSU-QMMMGPOBSA-N 312.285 2.447 5 1 DEBF O=[N+]([O-])c1cccc(CCc2nc3c(O)nc(S)nc3[nH]2)c1 587270746 RYRIOBPTBCOTGA-UHFFFAOYSA-N 317.330 2.041 5 1 DEBF CO[C@H]1C=CC2=CC[N+]3([O-])CCc4cc5c(cc4[C@]23C1)OCO5 143713438 OKPRPTWTQXQICF-ZWSMLAFMSA-N 313.353 2.396 5 1 DEBF O=c1c2ccccc2oc2cc(OCCO[N+](=O)[O-])cc(O)c12 1857750215 QZGLVRAWJAEQQJ-UHFFFAOYSA-N 317.253 2.239 5 1 DEBF Cn1nc([N+](=O)[O-])cc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587275199 YZMGQZXKAPZYIA-UHFFFAOYSA-N 322.668 2.433 5 1 DEBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(N)c(N)cc2[nH]1 587268436 XSQHTYGMGUJYSV-UHFFFAOYSA-N 315.337 2.004 5 1 DEBF N=c1sc([N+](=O)[O-])c2n1CCN2Cc1cnc(Cl)s1 103160049 WDHYASYSCSEXMY-UHFFFAOYSA-N 317.783 2.067 5 1 DEBF COc1cc2oc3ccc(O)c(OC)c3c(=O)c2c(O)c1OC 238767086 AWXXOXUZBDVCFL-UHFFFAOYSA-N 318.281 2.383 5 1 DEBF C[C@@H](O)Cn1c([N+](=O)[O-])cnc1/C=C/c1ccc([N+](=O)[O-])cc1 96929050 OMSWKYBSRSLCDV-LJJSCBMDSA-N 318.289 2.251 5 1 DEBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cccc(C(=O)O)c2[nH]1 587267167 GENRZCZKKYGZSC-QMMMGPOBSA-N 315.289 2.284 5 1 DEBF COc1cc2c3c(c1)O[C@H](c1ccc([N+](=O)[O-])cn1)[C@@H](C2)C3=O 587434047 POSXXXREBAQBDO-ZBEGNZNMSA-N 312.281 2.487 5 1 DEBF COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@H]2CC[C@H]1[N+]2(C)C 100645002 NRJDVMYLISHSNW-LVQVYYBASA-N 318.393 2.012 5 3 DEBF COC(=O)c1c(-c2cnn(C)c2)[nH]c2cc([N+](=O)[O-])ccc12 587646933 BASRUUXJUZASPP-UHFFFAOYSA-N 300.274 2.263 5 1 DEBF Cc1c(NC(N)=O)cccc1-c1nc2cncc([N+](=O)[O-])c2[nH]1 587239770 XFEBKZNSNFKXIJ-UHFFFAOYSA-N 312.289 2.332 5 1 DEBF O=c1[nH]c2cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c2nc1O 13743958 GXPKDOVDSMZROO-UHFFFAOYSA-N 309.587 2.209 5 1 DEBF CCSCCCNC[C@H](O)COc1ccccc1[N+](=O)[O-] 169330824 ZWBQCLFKAVLXRS-LBPRGKRZSA-N 314.407 2.067 5 1 DEBF C[N+]1(CCC[N+]2(C)C[C@@H]3[C@@H]4C=C[C@@H](CC4)[C@H]3C2)CCOCC1 6202653 JMKKOXFXRSJPNL-NKSMOILXSA-N 306.494 2.142 5 1 DEBF O=[N+]([O-])c1cn2c(n1)O[C@@H](COC/C=C/c1ccccc1)C2 35080373 ZKRIYXJNOVPMIH-WXJAXGNASA-N 301.302 2.282 5 1 DEBF Cn1nc([N+](=O)[O-])cc1-c1nc2cncc(Br)c2[nH]1 587275179 YBYXCRUAPVIUPM-UHFFFAOYSA-N 323.110 2.029 5 1 DEBF C[N+]1(C)C[C@@H]2CCC[N@@+]3([O-])CCC[C@@H]([C@H]23)[C@H]1CCCC(=O)O 253677756 LARHQIGWEMJSPZ-WCUVPALXSA-O 311.446 2.203 5 1 DEBF O=[N+]([O-])c1ccn(CCCc2nc3ccc(Cl)nc3[nH]2)n1 587273110 HZGSENXPUVWBHM-UHFFFAOYSA-N 306.713 2.349 5 1 DEBF COC(=O)c1ccnc2nc(-c3cc([N+](=O)[O-])c(C)o3)[nH]c12 587268888 MTWNUGGSLOAVTO-UHFFFAOYSA-N 302.246 2.221 5 1 DEBF COc1cc2c3c(c1)O[C@@]1(CC[C@H](C[N+](=O)[O-])C1)[C@@H](C2)C3=O 587434467 VRDPYICPQWLBHV-RVIYUIFMSA-N 303.314 2.258 5 1 DEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3c(Cl)ccnc3[nH]2)[C@@H]1C[N+](=O)[O-] 587266295 ZVTBPFIJDFCGSG-HRDYMLBCSA-N 322.752 2.272 5 1 DEBF N[C@H](Cc1cscn1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587029659 SPCCICPIFAULMB-MRVPVSSYSA-N 307.310 2.309 5 1 DEBF O=C(NCc1ccco1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 13685573 JEYXEQLMWMKTAO-UHFFFAOYSA-N 313.269 2.168 5 1 DEBF COc1ccc2c3c1O[C@H]1C[C@@H](O)CC[C@@]31CC[N@@+](C)([O-])C2 255259497 PMEAJDXXFCZXSF-CSBKYJRVSA-N 305.374 2.087 5 1 DEBF Cc1cnc2[nH]c([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)nc2c1 587265758 XCSIVEGHDKPSAH-JTQLQIEISA-N 313.317 2.123 5 1 DEBF NC(=O)c1cc([N+](=O)[O-])ccc1NCc1cccc([N+](=O)[O-])c1 36387463 MCBCPUIXVNTRDI-UHFFFAOYSA-N 316.273 2.214 5 3 DEBF O=[N+]([O-])c1cc2nc(C[S@@](=O)CC3CC3)[nH]c2cc1[N+](=O)[O-] 586959714 PNSFVBHCPKOUMN-QFIPXVFZSA-N 324.318 2.038 5 1 DEBF CC(C)N1C[C@@H]2C[C@@H](CN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 26572851 MEHYSILUYHYKPX-OKILXGFUSA-N 317.389 2.397 5 1 DEBF N[C@H](c1nc2cncc([N+](=O)[O-])c2[nH]1)c1ccc(F)cc1F 587151665 UMJAZSXBDKRSBG-NSHDSACASA-N 305.244 2.192 5 1 DEBF COc1cc2c3c(c1)O[C@]1(CCCC[C@H]1[N+](=O)[O-])[C@@H](C2)C3=O 587430666 KTHMSSJRNAPHKR-NORZTCDRSA-N 303.314 2.401 5 1 DEBF N=c1[nH]c2nc(CCc3cccc([N+](=O)[O-])c3)nc-2c(Cl)[nH]1 587269800 GYHFFDNIFMOIDY-UHFFFAOYSA-N 318.724 2.064 5 1 DEBF O=[N+]([O-])c1cccc(CN[C@]23O[C@H]4[C@@H]5[C@H]6C[C@H]([C@@H]52)[C@H]2[C@H]3[C@H]4[C@H]62)c1 253674232 GKCCEHGRTWUFEG-YJCHWGAMSA-N 310.353 2.167 5 1 DEBF COc1cc(OC)c2c(=O)c3c(O)cc(C)cc3oc(=O)c2c1 198930692 WDBFAIPOYWBXPB-UHFFFAOYSA-N 314.293 2.338 5 1 DEBF COc1c2c(cc3oc4ccc5c(c4c(=O)c13)OCO5)OCO2 14648928 PTJSZWUOJVHUMY-UHFFFAOYSA-N 314.249 2.412 5 1 DEBF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c([N+](=O)[O-])cnn1C)O2 587391888 ZUTYBRQOGICFCA-OAHLLOKOSA-N 316.317 2.100 5 1 DEBF CCN(CC)CC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 212239153 JFNBWSHUKPQKTJ-UHFFFAOYSA-N 308.363 2.485 5 1 DEBF O=[N+]([O-])c1ccc2c(c1)-c1nc3nc(O)nc(O)c3cc1CC2 587556152 UXBWHPYCUDMBHI-UHFFFAOYSA-N 310.269 2.110 5 1 DEBF CC1(C)C[C@@H](O)[C@@H]([C@@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)N1 13143603 QELWLAXNVYAKPA-RDBSUJKOSA-N 308.378 2.156 5 1 DEBF COc1c(O)cc2oc3cc(O)cc(OC)c3c(=O)c2c1OC 14648905 GFHNWWRULUNGDP-UHFFFAOYSA-N 318.281 2.383 5 1 DEBF biogenic Cn1cc(-c2[nH]c3cccc([N+](=O)[O-])c3c2CC(=O)O)cn1 587647933 UGHGZVAIXQCQLO-UHFFFAOYSA-N 300.274 2.104 5 1 DEBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccnc(Cl)c3[nH]2)[C@H]1C[N+](=O)[O-] 587261844 DEUJEUOOLGVHCE-HLTSFMKQSA-N 322.752 2.272 5 1 DEBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cnc(Cl)[nH]c-2n1 587267733 FJPXQQGNGHLFMG-UHFFFAOYSA-N 321.728 2.234 5 1 DEBF Nc1nc(N)c2cc(NCc3ccccc3[N+](=O)[O-])ccc2n1 169341585 DVDRTGCHOSILEJ-UHFFFAOYSA-N 310.317 2.315 5 1 DEBF CN(C)CCOC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82086423 FIZJHJMIGBUOGD-UHFFFAOYSA-N 321.358 2.437 5 1 DEBF O=C(O)[C]1C=c2c3ccccc3n3c(=O)c4ccccc4c(c23)N1 2356862738 SFWSMWLDIRMGQB-UHFFFAOYSA-N 315.308 2.147 5 1 DEBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc3cn[nH]c3cc2[nH]1 587274857 UUEIPAVNRGTYNC-QMMMGPOBSA-N 311.305 2.348 5 1 DEBF CCSCCCNC[C@H](O)COc1ccc([N+](=O)[O-])cc1 169346436 SLZQNTOPESLEKY-ZDUSSCGKSA-N 314.407 2.067 5 1 DEBF C[N+]1(C)C[C@@H]2CCC[N+]3([O-])CCC[C@@H]([C@H]23)[C@H]1CCCC(=O)O 72105496 LARHQIGWEMJSPZ-CTPPPKTMSA-O 311.446 2.203 5 1 DEBF COc1ccc2oc3c(O)c(OC)c(OC)c(O)c3c(=O)c2c1 14648840 YEVKSOUASNKVPM-UHFFFAOYSA-N 318.281 2.383 5 1 DEBF biogenic Cc1cccc2nc3cccc(C(=O)NCCN(C)C)c3nc12 5808499 KOZAIMBFPZVRMW-UHFFFAOYSA-N 308.385 2.383 5 1 DEBF COc1ccc(C(=O)NCCN(C)C)c2nc3ccccc3nc12 5808519 DUTZHQIOKDMYES-UHFFFAOYSA-N 324.384 2.083 5 1 DEBF O=C(Oc1cccc2oc(=O)[nH]c12)c1ccccc1[N+](=O)[O-] 95603162 CWOPTEVHAURXFG-UHFFFAOYSA-N 300.226 2.249 5 1 DEBF O=C1CS[C@H](c2c(F)cccc2F)N1[C@@H]1CC[C@H]1[N+](=O)[O-] 58553422 DIEVHEDSLKQSSU-GIPNMCIBSA-N 314.313 2.347 5 1 DEBF Cn1cc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2CC(=O)O)cn1 587647434 IGTIEENCXLOVNQ-UHFFFAOYSA-N 300.274 2.104 5 1 DEBF O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc([N+](=O)[O-])c2o1 167716268 AKWVFDUIJVVVGD-LBPRGKRZSA-N 315.329 2.165 5 1 DEBF C[N+](C)(C)CCc1ccc(O)c(I)c1 225134391 WEHQQPFQNMVHTI-UHFFFAOYSA-O 306.167 2.246 5 1 DEBF CN(C)CCNc1nc2cc(C(=O)O)ccc2c2cnccc12 66111469 UTTHZOMQMFDLBQ-UHFFFAOYSA-N 310.357 2.455 5 1 DEBF CC1(C)OC(C)(C)c2c1nnc(-c1ccc([N+](=O)[O-])cc1)[n+]2[O-] 27555757 JOMHSNDVIFCDRB-UHFFFAOYSA-N 316.317 2.186 5 1 DEBF O=C(CN1CCCC1)Nc1nc2ccc([N+](=O)[O-])cc2s1 299858866 DYIWJWGESNTAEM-UHFFFAOYSA-N 306.347 2.239 5 1 DEBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(Br)=NO1 299821337 KQJBHVBLTJNGSF-QMMMGPOBSA-N 314.095 2.031 5 1 DEBF CC[C@@H](C)NC(=O)c1nc(-c2ccccc2[N+](=O)[O-])cnc1N 473100616 IMSUEMLRFPSOAM-SECBINFHSA-N 315.333 2.162 5 1 DEBF O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2)cc1 104754518 RUQXZTHQFIRYFB-UOVKNHIHSA-N 320.370 2.037 5 1 DEBF COc1cc2c3c(c1)O[C@@H](c1ccc([N+](=O)[O-])cn1)[C@@H](C2)C3=O 587434046 POSXXXREBAQBDO-MEDUHNTESA-N 312.281 2.487 5 1 DEBF COc1c(O)cc2oc3c(OC)c(O)ccc3c(=O)c2c1OC 14648861 DVACNSPIYRUXHJ-UHFFFAOYSA-N 318.281 2.383 5 1 DEBF biogenic O=[N+]([O-])c1cncc2nc(C34CCC(CO)(CC3)CC4)[nH]c12 586899911 WFOOLHIHTVDJSI-UHFFFAOYSA-N 302.334 2.450 5 1 DEBF O=[N+]([O-])c1cccc(S(=O)(=O)N2C[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2)c1 4103720 DXWQZNFBBKSITD-HGSJOUDDSA-N 320.370 2.037 5 1 DEBF O=[N+]([O-])c1ccc2nn(Cc3ccccc3)c(OCCO)c2c1 653708437 BZDTZJNYCSLRPR-UHFFFAOYSA-N 313.313 2.364 5 1 DEBF Cc1oc(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)cc1[N+](=O)[O-] 587269126 QJGNOKXTCNYBIK-UHFFFAOYSA-N 314.257 2.370 5 1 DEBF COc1cc(O)c2c(=O)c3ccc(OC)c(OC)c3n(C)c2c1 14725178 CHCYJKZBXNSGCG-UHFFFAOYSA-N 315.325 2.423 5 1 DEBF endogenous,in-man N[C@]1(c2nc3cc([N+](=O)[O-])cnc3[nH]2)C[C@@H]1c1ccccc1F 587154872 UHGBCCFSEZXLLE-MEBBXXQBSA-N 313.292 2.347 5 1 DEBF Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc([N+](=O)[O-])cc1 13680742 IXCJWBJTGZAHRW-UHFFFAOYSA-N 317.330 2.201 5 1 DEBF COc1cc(OCc2nc3ccnc(O)c3[nH]2)ccc1[N+](=O)[O-] 587262946 JLZUGVPUIZYANY-UHFFFAOYSA-N 316.273 2.159 5 1 DEBF CN(C)C(=O)c1ccc(-c2cc(C=O)c(O)c([N+](=O)[O-])c2)cc1 169699649 ABQUNDUUWZFYNT-UHFFFAOYSA-N 314.297 2.482 5 1 DEBF NC(=O)c1cc([N+](=O)[O-])c(Cl)cc1NCc1ccccn1 36387455 IHYPLEOQWPVTKE-UHFFFAOYSA-N 306.709 2.354 5 3 DEBF CC(=O)n1c2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccccc1 653708439 CRGWXZXGUYETCW-UHFFFAOYSA-N 311.297 2.420 5 1 DEBF Cc1cc2[nH]c(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])nc2c(C)n1 587262779 HWJQCVUXSWTIET-ZHAHWJHGSA-N 316.361 2.235 5 1 DEBF Cc1cc(NC(=O)c2c(C)[nH]c3cccc([N+](=O)[O-])c23)no1 587647311 VJVMBHHKCNXQAI-UHFFFAOYSA-N 300.274 2.933 5 1 DEBF Nc1cc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2cc1N 587149395 RWANDXLXHMLBQL-UHFFFAOYSA-N 317.280 2.354 5 1 DEBF O=C1NC(=O)C(c2cccc([N+](=O)[O-])c2)=C1Nc1ccccc1 14945978 JZNQVKNWCJMHKJ-UHFFFAOYSA-N 309.281 2.074 5 1 DEBF C[C@H](CCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)CC(=O)O 587962297 DAKOMEDJOWQYJS-SSDOTTSWSA-N 322.277 2.423 5 1 DEBF COC(=O)Cc1ccccc1-c1nc2cncc([N+](=O)[O-])c2[nH]1 587783045 DZQLXZJWIUIFEF-UHFFFAOYSA-N 312.285 2.249 5 1 DEBF COc1cc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2cn1 587267909 IEMCFFYNKVVZQK-UHFFFAOYSA-N 316.321 2.243 5 1 DEBF CN1CCCN(CCn2ccc3ccc([N+](=O)[O-])cc32)CC1 13817494 QXEFBFBQNHPYFW-UHFFFAOYSA-N 302.378 2.187 5 1 DEBF Cc1nc(N)nc(N)c1-c1ccc(Br)c([N+](=O)[O-])c1 45302967 RASRFXDIZMGUEV-UHFFFAOYSA-N 324.138 2.287 5 1 DEBF CCc1cc([N+](=O)[O-])c2[nH]c(C(=O)O)c(CCC(=O)O)c2c1 299866385 OTIRWRUDUCYTFJ-UHFFFAOYSA-N 306.274 2.354 5 1 DEBF O=[N+]([O-])c1ccc(CN[C@@]23O[C@@H]4[C@H]5[C@@H]2[C@@H]2[C@@H]6C[C@H]([C@@H]4[C@@H]63)[C@@H]52)cc1 646624632 WBMNXQSYOIMHCG-FTBTZSRISA-N 310.353 2.167 5 1 DEBF COC(=O)c1ccc2nc([C@@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2c1 587276259 JTWBPGUNIPSCNM-MRVPVSSYSA-N 315.289 2.064 5 1 DEBF O=[N+]([O-])c1ccc(Cc2nc3ccnc(O)c3[nH]2)c([N+](=O)[O-])c1 587264619 OMMRKZBFXKNWEK-UHFFFAOYSA-N 315.245 2.071 5 1 DEBF COc1ccc(-c2cc(C=O)c(O)c([N+](=O)[O-])c2)c(OC)n1 169699573 UOGSLNDROBSYOO-UHFFFAOYSA-N 304.258 2.192 5 1 DEBF CC(=O)Nc1ccc(N=c2cc([N+](=O)[O-])cc(Cl)n2O)cc1 263591740 TZIBQROEQSJONO-UHFFFAOYSA-N 322.708 2.478 5 3 DEBF O=C(CCCCCC(=O)NCc1ccc2ccccc2n1)NO 473094028 VBUQXYDUPAHJAW-UHFFFAOYSA-N 315.373 2.307 5 1 DEBF COc1c(F)ccc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c1N 587133368 PCENKZXJTUBAHY-UHFFFAOYSA-N 303.253 2.263 5 1 DEBF O=[N+]([O-])c1cc(F)ccc1-c1ccc2c(O)nc(O)nc2n1 587368973 YVSUWQAWFFQCLB-UHFFFAOYSA-N 302.221 2.150 5 1 DEBF COC(=O)c1cc2[nH]c(-c3cc([N+](=O)[O-])c(C)o3)nc2cn1 587268560 DQAARJYBAJDUEW-UHFFFAOYSA-N 302.246 2.221 5 1 DEBF C[N+]1(CCC[N+]2(C)C[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2)CCOCC1 104369470 JMKKOXFXRSJPNL-INDMIFKZSA-N 306.494 2.142 5 1 DEBF CCOC(=O)[C@@](CC)(C(C)=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 3149798 GGNONWCYHGEEFC-AWEZNQCLSA-N 324.289 2.303 5 1 DEBF biogenic CN(C)CCNC(=O)Cc1cccc2c(=O)c3ccccc3oc12 26730995 YRRFKYYTKKXDLQ-UHFFFAOYSA-N 324.380 2.167 5 1 DEBF COc1c(O)ccc2c(=O)oc3cc(C)cc(O)c3c(=O)c12 2356719348 VNVIIHHARDJLGT-UHFFFAOYSA-N 300.266 2.035 5 1 DEBF CN(C)C(=O)Cc1nc2cc3nc4ccccc4nc3cc2[nH]1 587197933 XXMPJCFOZWOZOQ-UHFFFAOYSA-N 305.341 2.290 5 1 DEBF O=C1Nc2ccccc2/C1=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 45392474 RFOZGEFOEULTBU-BUHFOSPRSA-N 307.265 2.410 5 1 DEBF COc1c(O)cc2oc3cc(C)ncc3c(=O)c2c1C(=O)O 96911629 YKFKVOZQQDHYCE-UHFFFAOYSA-N 301.254 2.062 5 1 DEBF Cn1nc([N+](=O)[O-])cc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587275083 SVGCFNRBVWPDIL-UHFFFAOYSA-N 315.186 2.428 5 1 DEBF Cc1cc2[nH]c([C@H](C)Cn3cc([N+](=O)[O-])cn3)nc2c(C)n1 587273035 CVWZDNIUJNQDDD-MRVPVSSYSA-N 300.322 2.483 5 1 DEBF COc1c(O)c(OC)c2oc3cccc(O)c3c(=O)c2c1OC 14648853 URTSJLZSLJCTDJ-UHFFFAOYSA-N 318.281 2.383 5 1 DEBF biogenic CC(=O)[C@H]1Cc2c(cc(O)c3c(=O)c4ccccc4n(C)c23)O1 138307879 VZPCHUBLCFMBQM-CQSZACIVSA-N 309.321 2.290 5 1 DEBF O=[N+]([O-])c1cccc(CN[C@@]23O[C@@H]4[C@H]5[C@@H]2[C@H]2C[C@@H]5[C@@H]5[C@@H]2[C@@H]3[C@H]45)c1 195187702 GKCCEHGRTWUFEG-WLJKUCSMSA-N 310.353 2.167 5 1 DEBF Cn1c([N+](=O)[O-])cnc1SCCOc1ccc([N+](=O)[O-])cc1 169346989 RZXAPWGXTZFMDW-UHFFFAOYSA-N 324.318 2.408 5 1 DEBF Cc1ncc([N+](=O)[O-])n1Cc1nnc(-c2ccc(F)cc2)o1 84654896 NHUFVYZTDGTQCL-UHFFFAOYSA-N 303.253 2.337 5 1 DEBF C[C@H](c1nc2ccc([N+](=O)[O-])cc2[nH]1)n1cc([N+](=O)[O-])cn1 587276375 KWQGFZMKXAODKU-SSDOTTSWSA-N 302.250 2.185 5 1 DEBF C[C@@H](c1nc2cccc([N+](=O)[O-])c2[nH]1)n1cc([N+](=O)[O-])cn1 587275330 BZGXGXNUZIAQPH-ZETCQYMHSA-N 302.250 2.185 5 1 DEBF COC(=O)c1ccc(O)c2oc3cc(C)cc(O)c3c(=O)c12 238772248 ROBVUHWNBUASTR-UHFFFAOYSA-N 300.266 2.452 5 1 DEBF COc1ccc(Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1OC 400244727 SBTYQXKBNPMAIZ-UHFFFAOYSA-N 314.301 2.474 5 1 DEBF Cc1ccc(C(=O)Cc2cc3c(cc2[N+](=O)[O-])C(=O)NC3=O)cc1 653848306 NRFWJOONBBUIMU-UHFFFAOYSA-N 324.292 2.212 5 1 DEBF C[C@@H](c1nc2ccc([C@@H](N)N=O)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587275758 GGZVCMBTGVHKEV-MADCSZMMSA-N 315.293 2.001 5 1 DEBF C[C@H](O)Cn1c([N+](=O)[O-])cnc1/C=C/c1ccc([N+](=O)[O-])cc1 96929049 OMSWKYBSRSLCDV-QBBOHKLWSA-N 318.289 2.251 5 1 DEBF COc1cc2nc([C@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2cc1OC 587275796 GPRPVNNSCGHSMN-QMMMGPOBSA-N 317.305 2.294 5 1 DEBF CN(C(=O)C(C)(C)O)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 13649226 QZPMSPBDFFTFCA-UHFFFAOYSA-N 306.240 2.347 5 1 DEBF O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3C2)cc1 100651602 RUQXZTHQFIRYFB-GVARAGBVSA-N 320.370 2.037 5 1 DEBF Cc1ccc2nc3c(C(=O)NCCN(C)C)cccc3nc2c1 5808510 RQWNEKROIHNMQF-UHFFFAOYSA-N 308.385 2.383 5 1 DEBF COc1cc(OC)c2[nH]c(Cn3c([N+](=O)[O-])cnc3C)nc2c1 587274633 RAJPMDYGDZLUPH-UHFFFAOYSA-N 317.305 2.042 5 1 DEBF COc1c(O)cc2oc3ccc(O)c(OC)c3c(=O)c2c1OC 14648920 SFCAWPNUIJPROA-UHFFFAOYSA-N 318.281 2.383 5 1 DEBF biogenic COc1cc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc(OC)c1O 587786209 RRSIAMKRCKMXRH-UHFFFAOYSA-N 316.273 2.256 5 1 DEBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(F)cnc2[nH]1 587268386 UZWMPRYBZINEJG-UHFFFAOYSA-N 304.285 2.373 5 1 DEBF CN(C1=C(c2ccccc2[N+](=O)[O-])C(=O)NC1=O)c1ccccc1 27712844 HGRNULNNAJAAMX-UHFFFAOYSA-N 323.308 2.099 5 1 DEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3c(Cl)ccnc3[nH]2)[C@H]1C[N+](=O)[O-] 587266300 ZVTBPFIJDFCGSG-VGMNWLOBSA-N 322.752 2.272 5 1 DEBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cccc(C(=O)O)c2[nH]1 587267165 GENRZCZKKYGZSC-MRVPVSSYSA-N 315.289 2.284 5 1 DEBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587273565 IHXMDSYWGWEYAV-QMMMGPOBSA-N 316.277 2.380 5 1 DEBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cn1ccc([N+](=O)[O-])n1)O2 587389188 JTLZLAUSTGDYIH-HNNXBMFYSA-N 316.317 2.106 5 1 DEBF O=[N+]([O-])c1ccccc1CN[C@]12O[C@@H]3[C@H]4[C@@H]1[C@H]1C[C@@H]4[C@@H]4[C@@H]1[C@@H]2[C@H]34 194999851 QLIBBSDFSQDDLG-QNWNBBLZSA-N 310.353 2.167 5 1 DEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cncc(Cl)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587263269 LBYYMUYLXCYPNY-HRDYMLBCSA-N 322.752 2.272 5 1 DEBF O=C(O)Cc1ccc(Cc2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 587958970 IXNRCIALYVOQQN-UHFFFAOYSA-N 312.285 2.084 5 1 DEBF O=[N+]([O-])c1cccc(CN[C@]23O[C@@H]4[C@@H]5[C@@H]6[C@H]([C@@H]7C[C@@H]6[C@@H]4[C@@H]72)[C@@H]53)c1 169362524 GKCCEHGRTWUFEG-FGTXXCOKSA-N 310.353 2.167 5 1 DEBF O=C1CSC[C@H](c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)N1 587042866 HZDZCYBZZRGASS-MRVPVSSYSA-N 312.738 2.029 5 1 DEBF COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@H]2CC[C@@H]1[N+]2(C)C 29223696 NRJDVMYLISHSNW-FXUDXRNXSA-N 318.393 2.012 5 1 DEBF O=C1c2c(O)cc(O)cc2OC[C@H]1c1ccc([N+](=O)[O-])cc1 28569017 CKZRNCDCGXMYRD-NSHDSACASA-N 301.254 2.365 5 1 DEBF COc1cc(O)c2c(c1)cc1c3c(cc(=O)oc32)O[C@](C)(O)C1 2356845628 OGUHVFHECGLHRF-KRWDZBQOSA-N 314.293 2.304 5 1 DEBF CC1(C)OC[C@@H](Cn2cc(-c3ccc([N+](=O)[O-])cc3)nn2)O1 1772596318 VKBKLQPBZALRBZ-GFCCVEGCSA-N 304.306 2.005 5 1 DEBF CC[C@H](C)NC(=O)c1nc(-c2ccc([N+](=O)[O-])cc2)cnc1N 473105284 RMAABYKCVXKBSY-VIFPVBQESA-N 315.333 2.162 5 1 DEBF COC(=O)Cc1ccccc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 587783381 QEPKDGIUTGDWKZ-UHFFFAOYSA-N 312.285 2.249 5 1 DEBF N=c1nc2c([N+](=O)[O-])c3c(Br)cncc3cc2c[nH]1 1857569179 NKXXHAGEFOAOPA-UHFFFAOYSA-N 320.106 2.261 5 1 DEBF O=[N+]([O-])c1ccccc1CSc1nc(O)[nH]c2ncnc1-2 3611888 NNGAUHSOFDHKAV-UHFFFAOYSA-N 303.303 2.211 5 1 DEBF CCn1c2nc(-c3ccccc3)nc(=O)c-2[n+]([O-])c2ccccc21 101080095 AHFNAOOCGVKLHN-UHFFFAOYSA-N 318.336 2.217 5 1 DEBF O=[N+]([O-])c1ccc2c(c1)C[C@H]([C@@H](c1ccccc1)n1cnnn1)O2 26184187 RYTXKAWKLRHFTJ-HZPDHXFCSA-N 323.312 2.174 5 1 DEBF O=C(O)c1ccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2c1 587268623 HGRNXHQYJFBWSF-UHFFFAOYSA-N 313.273 2.176 5 1 DEBF CN(C1=C(c2ccc([N+](=O)[O-])cc2)C(=O)NC1=O)c1ccccc1 27729601 KPPHAKKXNPPQAH-UHFFFAOYSA-N 323.308 2.099 5 1 DEBF COc1cccc(/C=C/c2ncc([N+](=O)[O-])n2C[C@H](C)O)c1 96929051 OFZYRAMRJYPBQS-MLRMMBSGSA-N 303.318 2.351 5 1 DEBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587266946 COUVDXHYSRKJCT-MRVPVSSYSA-N 316.277 2.494 5 1 DEBF O=c1nc(O)c2nc3ccccc3n(Cc3cccc(F)c3)c-2n1 261189031 YKFCMGCIKPDFCM-UHFFFAOYSA-N 322.299 2.184 5 1 DEBF CCCCCNC1=NCCN1OCc1ccc([N+](=O)[O-])cc1 13539099 QSUQTTMGYCRJAQ-UHFFFAOYSA-N 306.366 2.478 5 1 DEBF C[N+]1(CCC[N+]2(C)C[C@H]3[C@@H]4C=C[C@H](CC4)[C@H]3C2)CCOCC1 195473586 JMKKOXFXRSJPNL-YNAZQSIESA-N 306.494 2.142 5 1 DEBF Cn1nc([N+](=O)[O-])cc1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279890 SKZOHFNVWLNAMG-UHFFFAOYSA-N 316.229 2.214 5 1 DEBF COc1cccc(CNC(=O)Nc2ncc([N+](=O)[O-])s2)c1 1857595674 BGPITOPXJUWTJI-UHFFFAOYSA-N 308.319 2.382 5 1 DEBF COc1ccc(CCN2CC[N+]3(CC2)C[C@H](C)O[C@H](C)C3)cc1 28961810 VLFNYTWLNNZDQY-CALCHBBNSA-N 319.469 2.177 5 1 DEBF O=[N+]([O-])c1cccc2nc(CS(=O)(=O)C3CCCC3)[nH]c12 586924133 INPKWACRWXONEA-UHFFFAOYSA-N 309.347 2.329 5 1 DEBF O=[N+]([O-])c1cc2nc(-c3csc(O)n3)[nH]c2cc1[N+](=O)[O-] 587018400 YXYVBXGSZZDJBC-UHFFFAOYSA-N 307.247 2.208 5 1 DEBF CN(C)CCN(C)c1ccc2ncn3c4ccccc4c(=O)c1c23 102188596 MNUWMAIJOYWWSW-UHFFFAOYSA-N 320.396 2.437 5 1 DEBF COc1cncc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c12 587270067 JLQNSPHYTSJZRQ-NSHDSACASA-N 313.317 2.117 5 1 DEBF CCCCCC[C@H]([C@@H](C)O)[N+]1([O-])C(O)=Nc2c(N)ncnc21 169714032 KQLKDNMOHIBDED-XWVIHRIXSA-N 309.370 2.143 5 1 DEBF O=[N+]([O-])c1ccccc1CN[C@]12O[C@H]3[C@@H]4[C@@H]5[C@H]([C@@H]6C[C@@H]5[C@@H]3[C@@H]61)[C@@H]42 169362518 QLIBBSDFSQDDLG-RAARHZFKSA-N 310.353 2.167 5 1 DEBF O=[N+]([O-])c1ccc(C[C@]2(O)c3ccccc3C3=NCCN32)cc1 28954073 IFVLJOUMXJEVBG-KRWDZBQOSA-N 309.325 2.058 5 1 DEBF Cn1c2nc(=O)n(-c3ccccc3)c(=O)c-2cc2ccccc21 40893780 PISWGBLVFPHOCG-UHFFFAOYSA-N 303.321 2.189 5 1 DEBF COc1cncc(N)c1-c1nc2cc(F)c([N+](=O)[O-])cc2[nH]1 587252782 MHOHEWAJQLEFAQ-UHFFFAOYSA-N 303.253 2.263 5 1 DEBF CC(=O)NC1(c2nc3cc([N+](=O)[O-])cnc3[nH]2)CCC(C)CC1 587233739 BTYCWFHOFGGEIY-UHFFFAOYSA-N 317.349 2.408 5 1 DEBF COc1ccc(-n2sc3ncc([N+](=O)[O-])cc3c2=O)cc1 1654021 VDUJLOYKPUKRLR-UHFFFAOYSA-N 303.299 2.364 5 1 DEBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc([N+](=O)[O-])nn1C)O2 587389801 NGIXVNMFUXWUGA-OAHLLOKOSA-N 316.317 2.100 5 1 DEBF Cc1oc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)cc1[N+](=O)[O-] 587269159 RBGITFWLLFESPV-UHFFFAOYSA-N 311.261 2.015 5 1 DEBF O=CNC(=S)Nc1cc(-c2ccccc2)c([N+](=O)[O-])cc1O 1857595169 DBCOZWIAFFNZPR-UHFFFAOYSA-N 317.326 2.410 5 1 DEBF COC(=O)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)C[C@H]2CC[C@@H]1N2C 28104351 JWBRJGZNZCKAEB-KBXIAJHMSA-N 304.346 2.334 5 1 DEBF CC1(C)Oc2cc([N+](=O)[O-])c(N)c(N3CCCCC3)c2C[C@@H]1O 40466357 MYCVKJVNPIEKTL-ZDUSSCGKSA-N 321.377 2.242 5 1 DEBF COc1ccc2oc3c(OC)c(O)cc(O)c3c(=O)c2c1O 14648947 BSEZTDIZCHRGGS-UHFFFAOYSA-N 304.254 2.080 5 1 DEBF biogenic COc1ccc2c(=O)c3cccc(CN[C@H](C)CO)c3oc2c1 95590978 ZGIVCOVEGQBZSM-LLVKDONJSA-N 313.353 2.425 5 1 DEBF C[C@H](c1nc2c(F)cnc(Cl)c2[nH]1)n1cc([N+](=O)[O-])cn1 587276031 IBBWQFVMYBVSJC-RXMQYKEDSA-N 310.676 2.464 5 1 DEBF O=C(NCCCCO)c1ccc2oc3ccccc3c(=O)c2c1 40875477 UUUKOXIJIPQJFZ-UHFFFAOYSA-N 311.337 2.449 5 1 DEBF COc1cc2c3c(c1)O[C@@]1(CCCC[C@@H]1[N+](=O)[O-])[C@@H](C2)C3=O 587430667 KTHMSSJRNAPHKR-RBOXIYTFSA-N 303.314 2.401 5 1 DEBF COc1c(O)cc2oc3cc(O)cc(O)c3c(=O)c2c1OC 14648902 JPSQXEBJQQVFGE-UHFFFAOYSA-N 304.254 2.080 5 1 DEBF biogenic C[C@@H](c1nc2cc3c(cc2[nH]1)OCCO3)n1cc([N+](=O)[O-])cn1 587277557 YDMFGEJBZFNQTC-QMMMGPOBSA-N 315.289 2.048 5 1 DEBF N=c1[nH]cc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)nc-2[nH]1 587139934 UATYYEUHEVHIEY-UHFFFAOYSA-N 308.660 2.085 5 1 DEBF O=[N+]([O-])c1ccn(CCCc2nc3cc(Cl)cnc3[nH]2)n1 587274641 XNNONCJCDFUXGF-UHFFFAOYSA-N 306.713 2.349 5 1 DEBF NC(=O)c1ccc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2c1 587270383 NGBBYRNSSUCAKB-UHFFFAOYSA-N 310.313 2.355 5 1 DEBF COc1cc(O)c2c(=O)c3c(OC)c(O)ccc3oc2c1OC 14648969 YOESAHHPMBOZJU-UHFFFAOYSA-N 318.281 2.383 5 1 DEBF biogenic Cc1cc2[nH]c(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])nc2c(C)n1 587262776 HWJQCVUXSWTIET-KPXOXKRLSA-N 316.361 2.235 5 1 DEBF Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccccc1[N+](=O)[O-] 98083878 MFXONBWYKINNLH-UHFFFAOYSA-N 319.277 2.037 5 1 DEBF Cn1nc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1[N+](=O)[O-] 587280285 RDMQDJIOJQWHTR-UHFFFAOYSA-N 316.229 2.214 5 1 DEBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc3c(cc2[nH]1)OCO3 587268049 VZYZGRFUROHJCW-MRVPVSSYSA-N 315.289 2.314 5 1 DEBF C[C@H](c1nc2cccc([N+](=O)[O-])c2[nH]1)n1cc([N+](=O)[O-])cn1 587275329 BZGXGXNUZIAQPH-SSDOTTSWSA-N 302.250 2.185 5 1 DEBF NC(=O)c1cc([N+](=O)[O-])c(Cl)cc1NCc1cccnc1 36387460 JDBYILINKOTBAJ-UHFFFAOYSA-N 306.709 2.354 5 3 DEBF in-vitro O=C(Cc1cc([N+](=O)[O-])ccc1F)NN1Cc2ccccc2C1 39004762 YWKFRUPRIZQUIN-UHFFFAOYSA-N 315.304 2.323 5 1 DEBF Cc1nc2nc(N)nc(N)c2c(C)c1Cc1ccc([N+](=O)[O-])cc1 45191053 KIFNVCYFAMCEEM-UHFFFAOYSA-N 324.344 2.305 5 1 DEBF O=C1C(c2ccc([N+](=O)[O-])cc2)=[N+]([O-])c2ccc([N+](=O)[O-])cc21 5882682 GJKFKVICLPOMSJ-UHFFFAOYSA-N 313.225 2.330 5 1 DEBF COc1cc(OC)c2oc3cc(O)cc(O)c3c(=O)c2c1O 14648935 PZDTUHVPYVWHCH-UHFFFAOYSA-N 304.254 2.080 5 1 DEBF biogenic CC[C@@H](C)NC(=O)c1nc(-c2ccc([N+](=O)[O-])cc2)cnc1N 473105283 RMAABYKCVXKBSY-SECBINFHSA-N 315.333 2.162 5 1 DEBF CC1(C)OC(=O)C[C@@H]1c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 586911694 SOZICSTXLMLCPA-ZCFIWIBFSA-N 320.261 2.188 5 1 DEBF O=C(/C=C/c1ccc([N+](=O)[O-])o1)NCc1ccc2c(c1)OCO2 7069040 LMBLHDKCXADZFB-GORDUTHDSA-N 316.269 2.246 5 1 DEBF COC(=O)c1ccnc2[nH]c(-c3cc(F)cc([N+](=O)[O-])c3)nc12 587160147 JAHULSQVEILHFE-UHFFFAOYSA-N 316.248 2.459 5 1 DEBF N[C@H]1CC[C@@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587247292 YEYNGBANMIXEGQ-FSPLSTOPSA-N 311.139 2.438 5 1 DEBF CC(=O)O[C@@H]1[C@H]2CC[C@H]1[C@@H]1[C@@H]2N=NN1c1ccc([N+](=O)[O-])cc1 254143395 HTDOPPBDHXBYCB-VQJWOFKYSA-N 316.317 2.491 5 1 DEBF CN1CCN(c2ccc([N+](=O)[O-])c(Nn3cccc3)c2)CC1 28955600 PNWSCBBGAAPCOT-UHFFFAOYSA-N 301.350 2.023 5 1 DEBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587266949 COUVDXHYSRKJCT-QMMMGPOBSA-N 316.277 2.494 5 1 DEBF C[N+](C)(C)CCO[P@](=O)(O)OCCOC1CCCCC1 27861423 KTDKLFUFYJRSBY-UHFFFAOYSA-O 310.351 2.176 5 1 DEBF CNC(=O)C1=C[C@@](C)(C(F)(F)F)Oc2ccc([N+](=O)[O-])cc21 26401305 ZUCNOWGRNYYKIC-LBPRGKRZSA-N 316.235 2.438 5 1 DEBF COc1cc(O)c2c(=O)oc3c(O)c(OC)cc(O)c3c2c1 14641243 VYZSKNNGIBILKL-UHFFFAOYSA-N 304.254 2.080 5 1 DEBF biogenic CCc1ccc([N+](=O)[O-])c2[nH]c(C(=O)O)c(CCC(=O)O)c12 299859947 GEOLZXZUXUPJMJ-UHFFFAOYSA-N 306.274 2.354 5 1 DEBF O=[N+]([O-])c1ccc(S(=O)(=O)n2ccc3ncccc32)cc1 43013612 DNKCNMSMMXKYHH-UHFFFAOYSA-N 303.299 2.182 5 1 DEBF O=[N+]([O-])c1ccc(CN[C@]23O[C@H]4[C@@H]5[C@H]6C[C@H]([C@@H]52)[C@H]2[C@H]3[C@H]4[C@H]62)cc1 646624635 WBMNXQSYOIMHCG-YJCHWGAMSA-N 310.353 2.167 5 1 DEBF COc1cc(OCc2nc3cccnc3[nH]2)ccc1[N+](=O)[O-] 587262332 RPKIYCHAWDHZLN-UHFFFAOYSA-N 300.274 2.454 5 1 DEBF COc1cc(C[C@@H](O)c2ccncc2)c([N+](=O)[O-])cc1OC 1857640517 HIDURKIMQRWSOA-CYBMUJFWSA-N 304.302 2.283 5 1 DEBF O=[N+]([O-])c1ccc(-c2nnc3n2N[C@H](c2ccco2)S3)o1 72175060 RYEWFAHXJRAMEP-JTQLQIEISA-N 305.275 2.387 5 1 DEBF COC(=O)C1=C(C)N=C(SC)N[C@H]1c1cccc([N+](=O)[O-])c1 13740160 MVPKEMFRHCJQBS-LBPRGKRZSA-N 321.358 2.405 5 1 DEBF CCc1cnc2c(O)nc3cc([N+](=O)[O-])c(-n4ccnc4)cc3n12 17106 NGLULEGEHSXPSN-UHFFFAOYSA-N 324.300 2.244 5 1 DEBF O=[N+]([O-])c1cccc(CN[C@@]23O[C@H]4[C@H]5[C@@H]2[C@H]2C[C@@H]5[C@@H]5[C@@H]2[C@@H]3[C@H]45)c1 195187721 GKCCEHGRTWUFEG-REAIUPASSA-N 310.353 2.167 5 1 DEBF CC=C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC(=O)O1 2356863562 URKJDRUHVTUEAA-STQMWFEESA-N 305.286 2.402 5 1 DEBF COc1cc(OC)c2c(=O)c3c(C(=O)O)c(O)ccc3oc2c1 199723414 KWIBLPABCRMVRW-UHFFFAOYSA-N 316.265 2.367 5 3 DEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(F)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587263176 KKUNDNNCEQHWIY-DVVUODLYSA-N 305.309 2.363 5 1 DEBF Cn1nc([N+](=O)[O-])cc1-c1nc2ccnc(Br)c2[nH]1 587274887 OLXQEJRQSCGFBF-UHFFFAOYSA-N 323.110 2.029 5 1 DEBF COc1ccc(N2C(=O)c3ccc(O)cc3C2=O)c([N+](=O)[O-])c1 28818116 NQXDZZLJSNDLBJ-UHFFFAOYSA-N 314.253 2.110 5 1 DEBF C[C@@H](O)Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 586892688 VHIFBQGJZZSIBF-RXMQYKEDSA-N 300.112 2.157 5 1 DEBF CC1(C)C[C@@H](O)[C@H]([C@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)N1 4154624 QELWLAXNVYAKPA-MGPQQGTHSA-N 308.378 2.156 5 1 DEBF Nc1ccc2c(c1)[n+](=O)c1cc(Br)ccc1n2O 66263844 BNAYXKNWIBMYRN-UHFFFAOYSA-N 307.127 2.291 5 1 DEBF C[N+]1(CCC[N@+]2(C)C[C@@H]3[C@@H]4C=C[C@@H](CC4)[C@H]3C2)CCOCC1 253979239 JMKKOXFXRSJPNL-TWHPPBISSA-N 306.494 2.142 5 1 DEBF C[N+]1(CCC[N@+]2(C)C[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2)CCOCC1 254216495 JMKKOXFXRSJPNL-VDRZXAFZSA-N 306.494 2.142 5 1 DEBF N=c1[nH]cc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)nc-2[nH]1 587047721 LMYIFWFPERQFBR-RQOWECAXSA-N 316.708 2.449 5 1 DEBF CCOc1ccc2sc(S(C)(=O)=O)nc2c1[N+](=O)[O-] 1772642999 UXXWVEPRCAPJDX-UHFFFAOYSA-N 302.333 2.007 5 1 DEBF CC(=O)Nc1cccc(Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)c1 587242494 MVUGKINGEFLRBI-UHFFFAOYSA-N 311.301 2.415 5 1 DEBF COc1ccc(/C=C/c2ncc([N+](=O)[O-])n2C[C@H](C)O)cc1 96929035 LTMNBPYCDLQOBD-BWNDKRECSA-N 303.318 2.351 5 1 DEBF O=C(O)c1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)O)c1 225710 HWYBBUGBCMCFAO-UHFFFAOYSA-N 315.237 2.222 5 1 DEBF COc1cc2c3c(c1)O[C@@H](c1ccncc1[N+](=O)[O-])[C@@H](C2)C3=O 587431851 HNDNVLHHOZWXLQ-ZBEGNZNMSA-N 312.281 2.487 5 1 DEBF CC(C)(CCS(=O)(=O)CCC[N+](C)(C)C)N(Cl)Cl 71341114 CNVLFSSYOZFCHZ-UHFFFAOYSA-N 320.306 2.276 5 1 DEBF C[N+]1(Cc2ccccc2)CCN([P@]2(=O)NCCCO2)CC1 40566876 CBHXJTBZLMGQIE-NRFANRHFSA-N 310.358 2.067 5 1 DEBF C/C(=C\C[C@@]12CCN(C)[C@@H]1[N+](C)(C)c1ccc(O)cc12)C(=O)O 144277420 PYWQARTUKYQVMX-JVGUAYRASA-O 317.409 2.293 5 1 DEBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Cl)cnc3[nH]2)[C@H]1C[N+](=O)[O-] 587263960 PORYYUAEDSTSPQ-QNSHHTMESA-N 322.752 2.272 5 1 DEBF Cc1ncc([N+](=O)[O-])n1Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587274062 MPZLMJDOTUGIIE-UHFFFAOYSA-N 320.240 2.072 5 1 DEBF Nc1ccc2c(c1)[n+](=O)c1ccc(Br)cc1n2O 28114560 NNNSQXPTKLQOOC-UHFFFAOYSA-N 307.127 2.291 5 1 DEBF COc1cc(O)c2c(=O)c3c(OC)cccc3oc2c1CCO 210007756 CUDWAOPIYCRYSU-UHFFFAOYSA-N 316.309 2.204 5 1 DEBF Cc1nccc2[nH]c([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)nc12 587263517 BFOMELTUSKCRAJ-JTQLQIEISA-N 313.317 2.123 5 1 DEBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3cnnc(O)c3[nH]2)c1F 587140321 YZPXMHBCSMNTQL-UHFFFAOYSA-N 309.644 2.426 5 1 DEBF N[C@]1(c2nc3c4cccnc4c4ncccc4c3[nH]2)CCOC1 587248312 MJCCTAIOUIZAQR-QGZVFWFLSA-N 305.341 2.234 5 1 DEBF COC(=O)CCn1c(=O)c2ccccc2c2nc3ccccn3c21 103232311 UGMMUGVTUFPVLM-UHFFFAOYSA-N 321.336 2.366 5 1 DEBF COC(=O)Cc1cc2c(cc1[N+](=O)[O-])N[C@H](CNC(C)C)CC2 29395965 DYJXVULCFPLVDV-ZDUSSCGKSA-N 321.377 2.035 5 1 DEBF COc1cccc2c(=O)c3c(O)cc(OC[C@H]4CO4)cc3oc12 28822725 YMTPHYAVFOCVQC-JTQLQIEISA-N 314.293 2.438 5 1 DEBF CCSCCNc1nc(C)c([N+](=O)[O-])c(-n2ccnc2C)n1 28821438 VOXHLRLHBRLSBB-UHFFFAOYSA-N 322.394 2.352 5 1 DEBF Cc1ccc([N+](=O)[O-])c(Oc2ccc(C[C@@H](N)C(N)=O)cc2)c1 213030897 YQBKHPZUMXXXFB-CYBMUJFWSA-N 315.329 2.051 5 1 DEBF in-vitro O=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)nc2ccccn12 96939349 FZLPIOYVKBUAAZ-UHFFFAOYSA-N 317.326 2.216 5 1 DEBF N[C@]1(c2nc3cncc([N+](=O)[O-])c3[nH]2)C[C@@H]1c1ccccc1F 587153796 DDWXEWQCYBIFMM-RFAUZJTJSA-N 313.292 2.347 5 1 DEBF Cn1cc(C2=NC[C@]3(C[N+]4([O-])CCC3CC4)O2)c2ccccc21 13451684 KZALJJIWYSXCCF-JKPXSAOISA-N 311.385 2.432 5 1 DEBF COc1ccc(/C=C/c2ncc([N+](=O)[O-])n2C[C@@H](C)O)cc1 96929036 LTMNBPYCDLQOBD-AYLMVEPYSA-N 303.318 2.351 5 1 DEBF COCC(=O)Cc1nc2c3cccnc3c3ncccc3c2[nH]1 587562865 ICTPKCKVRTXYLL-UHFFFAOYSA-N 306.325 2.417 5 1 DEBF CCOc1ccc(C(=O)CN2C=CC(C)=C[C]2N)cc1[N+](=O)[O-] 2356853996 YTOAXHXIFXWUCW-UHFFFAOYSA-N 316.337 2.400 5 1 DEBF O=c1oc(Oc2ccc([N+](=O)[O-])cc2)nn1-c1ccc(O)cc1 140584378 WTDYOQODUWRCLM-UHFFFAOYSA-N 315.241 2.232 5 1 DEBF CCn1c(=O)nc2n(-c3ccccc3)c3ccccc3nc-2c1=O 1619732 FNNWTHVWCABIRR-UHFFFAOYSA-N 318.336 2.067 5 1 DEBF COc1cc2c3c(c1)O[C@]1(CC[C@H](C[N+](=O)[O-])C1)[C@@H](C2)C3=O 587434465 VRDPYICPQWLBHV-HCYDYPBKSA-N 303.314 2.258 5 1 DEBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cn1cc([N+](=O)[O-])cn1)O2 587388828 GRVVYZVAMBGGHV-OAHLLOKOSA-N 316.317 2.106 5 1 DEBF Cc1cc2[nH]c(-c3cnc(N)c([N+](=O)[O-])c3)nc2cc1[N+](=O)[O-] 587268452 YOAQTRYMQLMFED-UHFFFAOYSA-N 314.261 2.332 5 1 DEBF N[C@@]1(c2nc3cncc([N+](=O)[O-])c3[nH]2)C[C@H]1c1ccccc1F 587153797 DDWXEWQCYBIFMM-VFZGTOFNSA-N 313.292 2.347 5 1 DEBF Cc1c(-c2nc3ccc(-n4cnnn4)cc3[nH]2)cccc1[N+](=O)[O-] 587260889 KONUAXRYICLYQL-UHFFFAOYSA-N 321.300 2.422 5 1 DEBF O=[N+]([O-])c1ccccc1CN[C@]12O[C@@H]3[C@@H]4[C@@H]5[C@H]([C@@H]6C[C@@H]5[C@@H]3[C@@H]61)[C@@H]42 169362516 QLIBBSDFSQDDLG-CIEHQPKASA-N 310.353 2.167 5 1 DEBF O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2)c([N+](=O)[O-])c1 5582879 JUONWMCEPUNHCQ-UHFFFAOYSA-N 323.286 2.304 5 1 DEBF COc1cc2c(CO)cc(O)cc2c2cc(O)c(CO)cc12 13378141 YQMNZWBBBKGAKW-UHFFFAOYSA-N 300.310 2.397 5 1 DEBF biogenic NCCCNc1ccnc2c1ccc1c(NCCCN)ccnc12 45340027 YKSVDQKGCKAWRL-UHFFFAOYSA-N 324.432 2.304 5 1 DEBF COc1c(OC(C)=O)c(=O)n2c3ccccc3c3ccnc1c32 36383966 YYGWINQHPKCLEF-UHFFFAOYSA-N 308.293 2.373 5 3 DEBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(Cl)nc3[nH]2)[C@@H]1C[N+](=O)[O-] 587262206 GDEVPENXNNYFIP-IWSPIJDZSA-N 322.752 2.272 5 1 DEBF COc1ccc(OC)c2c(=O)c3c(O)cc(O)c(OC)c3oc12 14648996 PCPJMIPJAFZGHD-UHFFFAOYSA-N 318.281 2.383 5 1 DEBF biogenic O=C(O)Cc1ccc(CC(=O)O)c2c(=O)c3ccccc3oc12 27869973 UQROXAQLNIJZGI-UHFFFAOYSA-N 312.277 2.200 5 1 DEBF COc1cc(O)c2c(=O)c3cc(OC)c(OC)c(O)c3oc2c1 14649052 IMXIWKYEYGVYGK-UHFFFAOYSA-N 318.281 2.383 5 1 DEBF biogenic COc1ccc(C(=O)OC2C[C@@H]3CC[C@H](C2)[N+]3(C)[O-])cc1OC 173325 WAXSPCSJSGNROP-PHDAOHEYSA-N 321.373 2.498 5 3 DEBF biogenic COc1cc(OC)c2c(=O)c3c(O)cc(O)c(OC)c3oc2c1 14649008 MGPFNMVWNXMDAI-UHFFFAOYSA-N 318.281 2.383 5 1 DEBF biogenic COC(=O)C1=C(C(C)C)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 76216792 HVTWQRXLPHDMEC-ZDUSSCGKSA-N 319.317 2.032 5 1 DEBF O=[N+]([O-])c1ccc(S(=O)(=O)n2ncc3ccccc32)cc1 1857636815 DWAWXHFBKCPOFB-UHFFFAOYSA-N 303.299 2.182 5 1 DEBF CCNc1ccc(-c2c(N)nc(N)nc2CC)cc1[N+](=O)[O-] 26488457 UPDDRRLHVVTNOD-UHFFFAOYSA-N 302.338 2.210 5 1 DEBF COC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C[C@@H]2CC[C@H]1N2C 34361322 JWBRJGZNZCKAEB-BYNSBNAKSA-N 304.346 2.334 5 1 DEBF COC(=O)[C@H]1C(C(C)C)=NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 169730071 GHYAPWMBHNILQF-WCQYABFASA-N 319.317 2.245 5 1 DEBF O=C1c2c(O)cc(O)cc2OC[C@@H]1c1ccc([N+](=O)[O-])cc1 28569016 CKZRNCDCGXMYRD-LLVKDONJSA-N 301.254 2.365 5 1 DEBF O=[N+]([O-])c1ccc2c(c1)C[C@H]([C@H](c1ccccc1)n1cnnn1)O2 26184196 RYTXKAWKLRHFTJ-CVEARBPZSA-N 323.312 2.174 5 1 DEBF Cc1cccc2nc3c(C(=O)NCCN(C)C)cccc3nc12 27980051 ODIILRLTODYZAY-UHFFFAOYSA-N 308.385 2.383 5 1 DEBF Cn1cc(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2cccnc21 43077702 WICRTEAFBLVATA-UHFFFAOYSA-N 317.326 2.314 5 1 DEBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(CCO)cc2[nH]1 587267117 FPTPNFIGTTZTBS-SNVBAGLBSA-N 315.333 2.120 5 1 DEBF O=C(c1ccc2c(=O)c3ccccc3sc2c1)N1CCNCC1 13605993 WMJBPTQPWHNTDS-UHFFFAOYSA-N 324.405 2.460 5 1 DEBF O=CNC(=S)Nc1c(O)cc([N+](=O)[O-])cc1-c1ccccc1 1857562418 FZCZWLQIOCWVLI-UHFFFAOYSA-N 317.326 2.410 5 1 DEBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cn1cc([N+](=O)[O-])cn1)O2 587388823 GRVVYZVAMBGGHV-HNNXBMFYSA-N 316.317 2.106 5 1 DEBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4cccnc4[nH]3)nn2)c1 587268830 BLILNMWMGGCHMF-UHFFFAOYSA-N 307.273 2.114 5 1 DEBF Cc1cnc(C)n1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 1857764746 QSKQBBKOYVMEEJ-GFCCVEGCSA-N 318.333 2.478 5 1 DEBF N[C@@]1(c2nc3cncc([N+](=O)[O-])c3[nH]2)C[C@@H]1c1ccccc1F 587153795 DDWXEWQCYBIFMM-PSLIRLAXSA-N 313.292 2.347 5 1 DEBF COc1nccc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c12 587268365 TWFBTGCIHAOIAV-UHFFFAOYSA-N 316.321 2.243 5 1 DEBF CCOc1n[nH]c(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c1Cl 587065629 WAJANHYXGLMRLG-UHFFFAOYSA-N 308.685 2.308 5 1 DEBF O=[N+]([O-])c1ccc(Nc2cncc(N3C[C@@H]4C[C@H](C3)N4)c2)cc1 1857641070 MYNNHDMKXARIMJ-OKILXGFUSA-N 311.345 2.284 5 1 DEBF Cc1cnc(C)n1[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 1857650300 ORJKFFROCNODHV-LLVKDONJSA-N 304.306 2.088 5 1 DEBF Cc1cc2[nH]c(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])nc2c(C)n1 587262778 HWJQCVUXSWTIET-UWJYBYFXSA-N 316.361 2.235 5 1 DEBF N[C@@H](CCc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(=O)O 1620337 DHPIFJWVFMLLKD-JTQLQIEISA-N 307.331 2.063 5 1 DEBF Cc1ncc([N+](=O)[O-])n1Cc1nnc(Cc2cccc(F)c2)o1 84758295 FMTZNDJCOQBVQQ-UHFFFAOYSA-N 317.280 2.261 5 1 DEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(Cl)nc3[nH]2)[C@@H]1C[N+](=O)[O-] 587262205 GDEVPENXNNYFIP-HRDYMLBCSA-N 322.752 2.272 5 1 DEBF O=C(O)c1cc(Cl)c2cc3c(=O)cc(C(=O)O)oc3cc2n1 29544110 ZSSXKDMSUYGBRT-UHFFFAOYSA-N 319.656 2.391 5 1 DEBF O=[N+]([O-])c1ccc(Oc2ccc(CCO)cc2)c2nonc12 96933442 NNEUQKBUAOCMJN-UHFFFAOYSA-N 301.258 2.458 5 1 DEBF Cc1cc2[nH]c([C@H](C)n3cc([N+](=O)[O-])cn3)nc2cc1[N+](=O)[O-] 587277409 VPEMZSOFCOUKDW-QMMMGPOBSA-N 316.277 2.494 5 1 DEBF O=C(CCCCCCC(=O)Nc1cccc(C(=O)O)c1)NO 198526617 XFLRHSMNINMNJW-UHFFFAOYSA-N 308.334 2.169 5 1 DEBF NCCN1C(=O)S/C(=C\CCc2ccc([N+](=O)[O-])cc2)C1=O 82157392 HOIOEMICHLGBAA-BASWHVEKSA-N 321.358 2.065 5 1 DEBF COC(=O)c1cc(C)c(O)c2oc3cccc(O)c3c(=O)c12 1857559382 VAWBCQRMWVYEPD-UHFFFAOYSA-N 300.266 2.452 5 1 DEBF COc1cc2nc([C@@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2cc1F 587275524 DQQSNQRWLNRWQE-SSDOTTSWSA-N 305.269 2.425 5 1 DEBF Cc1ccc2c(n1)c(O)c(NC(=O)[C@@H](C)O)c1ccc(C)nc12 2356792130 JIUXDJNYRHLQIG-SNVBAGLBSA-N 311.341 2.425 5 1 DEBF CC(=O)Nc1ccc(Nc2cc([N+](=O)[O-])cc(Cl)[n+]2O)cc1 169693898 TZIBQROEQSJONO-UHFFFAOYSA-O 323.716 2.475 5 1 DEBF C[C@H](c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587277167 PVWPHLXLTHBNSP-ZCFIWIBFSA-N 320.240 2.324 5 1 DEBF O=C(O)C[C@@H](O)Cc1nc2c3cccnc3c3ncccc3c2[nH]1 586889894 LZKBKWKTOLLATO-VIFPVBQESA-N 322.324 2.037 5 1 DEBF Nc1ncc(Cl)nc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587086375 HQZQERSUIZBDKC-UHFFFAOYSA-N 308.660 2.303 5 1 DEBF COC(=O)[C@H]1C(C(C)C)=NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 169730073 GHYAPWMBHNILQF-AAEUAGOBSA-N 319.317 2.245 5 1 DEBF CNC(=O)N(C)[C@H]1c2cc([N+](=O)[O-])ccc2Oc2ncccc21 28009181 RZMGOAVYPDJRQS-CYBMUJFWSA-N 314.301 2.456 5 1 DEBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c([N+](=O)[O-])cnn1C)O2 587391887 ZUTYBRQOGICFCA-HNNXBMFYSA-N 316.317 2.100 5 1 DEBF CNC1=N[C@H](c2ccccc2)c2cc([N+](=O)[O-])ccc2N(C)C1=O 169321166 ZMOJDUXNXWZWDQ-OAHLLOKOSA-N 324.340 2.279 5 1 DEBF COc1cccc(/C=C/c2ncc([N+](=O)[O-])n2C[C@@H](C)O)c1 96929052 OFZYRAMRJYPBQS-XUIVZRPNSA-N 303.318 2.351 5 1 DEBF O=[N+]([O-])c1cccnc1NCc1nc2cccc([N+](=O)[O-])c2[nH]1 587268570 FEGOZBGWUVRRCN-UHFFFAOYSA-N 314.261 2.386 5 1 DEBF CCCCCC[C@H]([C@H](C)O)[N@+]1([O-])C(=O)Nc2c(N)ncnc21 253752309 KQLKDNMOHIBDED-QHJCOXKOSA-N 309.370 2.129 5 1 DEBF O=C(O)C[C@H](O)Cc1nc2c3cccnc3c3ncccc3c2[nH]1 586889891 LZKBKWKTOLLATO-SECBINFHSA-N 322.324 2.037 5 1 DEBF Cn1c([N+](=O)[O-])cnc1SCCOc1ccc(C(=O)O)cc1 5116579 NHZHZDRYPDLGOQ-UHFFFAOYSA-N 323.330 2.198 5 1 DEBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(C(=O)O)cc2[nH]1 587274963 YBNVROIZWFYZAN-QMMMGPOBSA-N 315.289 2.170 5 1 DEBF O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc2[nH]ncc2c1 45168486 BJWJPIRFVHBAHY-UHFFFAOYSA-N 308.253 2.272 5 1 DEBF C[C@@H]1CC(=O)[C@H](Cc2nc3cccc(F)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587264450 RUPSPCHWRPXTAV-OPRDCNLKSA-N 305.309 2.363 5 1 DEBF O=[N+]([O-])c1cc(-c2nc3cccnc3[nH]2)nn1CC(F)(F)F 587091287 IHJNTNBVVOAHQL-UHFFFAOYSA-N 312.211 2.292 5 1 DEBF C[N+]1(C)[C@H]2CC[C@H]1CC(OC(=O)n1c(=O)[nH]c3ccccc31)C2 100649652 NDHRWNBDOBNPLT-RYUDHWBXSA-O 316.381 2.084 5 1 DEBF CCOC(=O)C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 40503679 AMJKDOSFISHJRO-UHFFFAOYSA-N 321.314 2.220 5 1 DEBF O=[N+]([O-])c1ccccc1CN[C@]12O[C@H]3[C@@H]4[C@H]5C[C@H]([C@@H]41)[C@@H]1[C@@H]5[C@@H]3[C@@H]12 253660161 QLIBBSDFSQDDLG-XRAOESLDSA-N 310.353 2.167 5 1 DEBF O=[N+]([O-])c1cn2c(n1)O[C@H](COC/C=C/c1ccccc1)C2 35080371 ZKRIYXJNOVPMIH-LVDDQXARSA-N 301.302 2.282 5 1 DEBF COC(=O)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)C[C@H]2CC[C@@H]1N2C 28104357 JWBRJGZNZCKAEB-APIJFGDWSA-N 304.346 2.334 5 1 DEBF Nc1cc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)ccc1CC(=O)O 587249865 ONOVBPWBMJNJHU-UHFFFAOYSA-N 312.285 2.347 5 1 DEBF O=[N+]([O-])c1ccccc1CN[C@@]12O[C@@H]3[C@@H]4[C@@H]5[C@H]([C@@H]6C[C@@H]5[C@@H]3[C@@H]61)[C@@H]42 169362517 QLIBBSDFSQDDLG-OMWISCAHSA-N 310.353 2.167 5 1 DEBF COc1ccc2c(c1)c(=O)oc1cc(OS(=O)(=O)O)ccc12 1857561241 GGEXZWRPVDXHSZ-UHFFFAOYSA-N 322.294 2.136 5 1 DEBF N[C@H](CCc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(=O)O 6511860 DHPIFJWVFMLLKD-SNVBAGLBSA-N 307.331 2.063 5 1 DEBF CC(=O)OCCn1c(=O)c2ccccc2c2nc3ccccn3c21 103232316 YSGCLCPJRSXEOV-UHFFFAOYSA-N 321.336 2.366 5 1 DEBF CCc1cc(C(N)=O)c(NC(=O)c2ccc([N+](=O)[O-])o2)s1 95597072 BIMGUDNHIDWUNR-UHFFFAOYSA-N 309.303 2.163 5 1 DEBF CC(=O)c1cc2c(cc1C)[n+]([O-])c1cc(Cl)ccc1[n+]2[O-] 27306770 ASXQYNAWULQKRZ-UHFFFAOYSA-N 302.717 2.424 5 1 DEBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2c(Cl)ncnc2[nH]1 587270004 HJUYDXVJNFUGOI-VIFPVBQESA-N 318.724 2.157 5 1 DEBF O=[N+]([O-])c1cccc(-c2ccc3c(O)nc(O)nc3n2)c1F 587368539 SLJPPFFKBYGCPU-UHFFFAOYSA-N 302.221 2.150 5 1 DEBF C[C@@H](O)Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 586893205 WSCMAEXGFNVBIK-RXMQYKEDSA-N 300.112 2.157 5 1 DEBF COc1cc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)cc(OC)c1O 587786736 WHLFTZWKKMDLSU-UHFFFAOYSA-N 316.273 2.256 5 1 DEBF O=C1c2ccoc2CC[C@@H]1Cc1nc2cc([N+](=O)[O-])cnc2[nH]1 586908749 UUKLAIQEBHNSSF-MRVPVSSYSA-N 312.285 2.447 5 1 DEBF O=[N+]([O-])c1cc2nc([C@@H](O)c3cccc(O)c3)[nH]c2cc1F 586891242 NOIPTYBSAVIMJL-ZDUSSCGKSA-N 303.249 2.398 5 1 DEBF O=[N+]([O-])c1cc(F)cc(-c2nc3c(O)nc(S)nc3[nH]2)c1 587161750 QRFPTYWQQPBZQE-UHFFFAOYSA-N 307.266 2.062 5 1 DEBF C[C@@H](c1nc2cc(F)cc(C(=O)O)c2[nH]1)n1cc([N+](=O)[O-])cn1 587277188 QGTKPCLQFFMVQP-LURJTMIESA-N 319.252 2.114 5 1 DEBF Cc1cncc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c12 587270278 ULNZMNDHQDHOIG-UHFFFAOYSA-N 321.300 2.422 5 1 DEBF Cc1c(Br)c(=O)oc2cc(O)c([N+](=O)[O-])cc12 29132396 DLMSLJYJJMLZQE-UHFFFAOYSA-N 300.064 2.478 5 1 DEBF Cc1[nH]c2ccc([N+](=O)[O-])cc2c1C[C@@H](CC[N+](=O)[O-])[N+](=O)[O-] 73370868 OVELHFYXOUIQDP-SNVBAGLBSA-N 322.277 2.239 5 1 DEBF O=[N+]([O-])c1cn(C[C@@H](O)c2ccccc2)c(Br)n1 66077261 QRRZWSJJYZLTDQ-SECBINFHSA-N 312.123 2.287 5 1 DEBF C[N+]1(C)C[C@@H]2CCC[N@+]3([O-])CCC[C@@H]([C@H]23)[C@H]1CCCC(=O)O 253677746 LARHQIGWEMJSPZ-DONWEKBKSA-O 311.446 2.203 5 1 DEBF C[C@H](c1nc2cc3c(cc2[nH]1)OCO3)n1cc([N+](=O)[O-])cn1 587277326 SYLWEMDZLRODIX-SSDOTTSWSA-N 301.262 2.006 5 1 DEBF CC1(C)C[C@@H](O)[C@@H]([C@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)N1 980120 QELWLAXNVYAKPA-HZSPNIEDSA-N 308.378 2.156 5 1 DEBF O=[N+]([O-])c1cccc([N+](=O)[O-])c1S(=O)(=O)c1ccccc1 1628521 HMOFBCBFCRAODW-UHFFFAOYSA-N 308.271 2.336 5 1 DEBF O=C(Nc1ccccc1N1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])o1 28960444 ZAEUHZGQIAGWMS-SNVBAGLBSA-N 317.301 2.011 5 1 DEBF O=Cc1ccc(OCCc2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 587566266 DBVKROKKBJYKOO-UHFFFAOYSA-N 312.285 2.300 5 1 DEBF COc1cc2c3c(c1)O[C@]1(CCCC[C@@H]1[N+](=O)[O-])[C@@H](C2)C3=O 587430664 KTHMSSJRNAPHKR-DETPVDSQSA-N 303.314 2.401 5 1 DEBF N=c1[nH]cc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)nc-2[nH]1 587047719 LMYIFWFPERQFBR-DUXPYHPUSA-N 316.708 2.449 5 1 DEBF O=C(COC(=O)[C@@H]1C[C@@H]2C=C[C@@H]1C2)Nc1ccccc1[N+](=O)[O-] 104086347 QNQSWEBDKKSBPP-IJLUTSLNSA-N 316.313 2.289 5 1 DEBF C[C@@H](O)Cn1c([N+](=O)[O-])cnc1/C=C/c1cccc([N+](=O)[O-])c1 96929068 LFIKHFSMLLDOJC-BRAIEQGRSA-N 318.289 2.251 5 1 DEBF O=C1NC(=O)C(c2ccc([N+](=O)[O-])cc2)=C1Nc1ccccc1 27716591 AUSZIYUPPNBTRW-UHFFFAOYSA-N 309.281 2.074 5 1 DEBF Cc1cc2[nH]c(CCCn3ccc([N+](=O)[O-])n3)nc2c(C)n1 587272705 ASWVVEPMYBQAJD-UHFFFAOYSA-N 300.322 2.312 5 1 DEBF Cc1cccc(Cn2c3nc(=O)nc(O)c-3nc3ccccc32)c1 261170036 SSUHCQLRKUEUEP-UHFFFAOYSA-N 318.336 2.354 5 1 DEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cncc(Cl)c3[nH]2)[C@H]1C[N+](=O)[O-] 587263271 LBYYMUYLXCYPNY-VGMNWLOBSA-N 322.752 2.272 5 1 DEBF O=[N+]([O-])c1ccc2c(c1)C[C@@H]([C@H](c1ccccc1)n1cnnn1)O2 26184200 RYTXKAWKLRHFTJ-HOTGVXAUSA-N 323.312 2.174 5 1 DEBF C[C@@H]1C[C@@](O)(CC(=O)O)c2cc([N+](=O)[O-])c(Cl)cc2O1 13456161 HWMWVFJUTRXUNA-SREIQFSDSA-N 301.682 2.082 5 1 DEBF CC1=NC(=O)N[C@H](c2cccc([N+](=O)[O-])c2)[C@H]1C(=O)OC(C)C 169730077 FDQDEAFGKVKTIA-QWHCGFSZSA-N 319.317 2.388 5 1 DEBF CC(C)Oc1ccc(-c2cc(C(=O)O)c(O)nn2)cc1[N+](=O)[O-] 1857603393 AWKZSYSZNCNZSW-UHFFFAOYSA-N 319.273 2.243 5 1 DEBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(F)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587263180 KKUNDNNCEQHWIY-FBIMIBRVSA-N 305.309 2.363 5 1 DEBF Cc1cnc(C)n1C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 1857770117 GGJDQCHHCUOWGG-UHFFFAOYSA-N 318.333 2.478 5 1 DEBF COC(=O)CCSc1nnc(-c2ccc([N+](=O)[O-])o2)s1 28569960 VFSLKMDHLFXLTQ-UHFFFAOYSA-N 315.332 2.362 5 1 DEBF O=C(COC(=O)[C@H]1C[C@@H]2C=C[C@H]1C2)Nc1ccccc1[N+](=O)[O-] 5785249 QNQSWEBDKKSBPP-WOPDTQHZSA-N 316.313 2.289 5 1 DEBF O=C1C[C@H]2C[C@H]2C(=O)[C@H]1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] 103153735 MKTDFJCGANZGFP-AKGNYGMASA-N 307.689 2.225 5 1 DEBF CC=C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC(=O)O1 2356863559 URKJDRUHVTUEAA-QWHCGFSZSA-N 305.286 2.402 5 1 DEBF O=C(c1cccc([N+](=O)[O-])c1)c1[nH]c(=O)c2ccccc2c1O 95560932 UANDSAOFZIWKHC-UHFFFAOYSA-N 310.265 2.373 5 1 DEBF COc1c(O)cc2c(=O)c3c(O)cc(O)cc3oc2c1OC 238742640 NINXGBUCCNJWPN-UHFFFAOYSA-N 304.254 2.080 5 1 DEBF Cn1nc([N+](=O)[O-])cc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 587274888 OLZSOPVMJKRNGS-UHFFFAOYSA-N 312.211 2.285 5 1 DEBF Cc1cnc2[nH]c(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)nc2c1 587268914 DJBWLJXWFBWJMS-UHFFFAOYSA-N 321.300 2.422 5 1 DEBF CN(C)CCNC(=O)c1cccc2cc3cc(O)ccc3nc12 5808486 WHIXILDYJOJOPD-UHFFFAOYSA-N 309.369 2.385 5 1 DEBF Nc1ccc2ncnc(NCCCCCCC(=O)NO)c2c1 206981482 LBZZIWPNLHEZFT-UHFFFAOYSA-N 303.366 2.080 5 1 DEBF N[C@@H](c1ccsc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587026683 MBXKDANALGMUMG-NSHDSACASA-N 319.302 2.489 5 1 DEBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cccc([N+](=O)[O-])c2[nH]1 587268275 ZQOCYKBYSGWHAR-QMMMGPOBSA-N 316.277 2.494 5 1 DEBF C[C@H]1C[C@H](OC[C@@H](O)C[N+]2(C)CCOCC2)CC(C)(C)C1 13306599 FDQUJFFWDKRYJR-JYJNAYRXSA-N 300.463 2.056 5 1 DEBF Nc1nc2ccc3ccc(Br)c(N)c3c2c(=O)[nH]1 13832414 XEOQLLOHKNZVQZ-UHFFFAOYSA-N 305.135 2.003 5 1 DEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Cl)ncc3[nH]2)[C@@H]1C[N+](=O)[O-] 587265638 XEIRITMEPGGNFL-HRDYMLBCSA-N 322.752 2.272 5 1 DEBF O=[N+]([O-])c1ccc(-c2ccc(N3CCC(O)CC3)nn2)cc1 27204823 NNALBRLRHKLYFA-UHFFFAOYSA-N 300.318 2.013 5 1 DEBF O=[N+]([O-])c1ccc(CN[C@@]23O[C@H]4[C@@H]5[C@H]6C[C@@H]([C@@H]7[C@@H]6[C@@H]4[C@@H]72)[C@H]53)cc1 646624633 WBMNXQSYOIMHCG-UYXRRPAWSA-N 310.353 2.167 5 1 DEBF Nc1cc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)ccc1CC(=O)O 587249841 OCVVNPMFIGWKNS-UHFFFAOYSA-N 312.285 2.347 5 1 DEBF O=C(c1ccc([N+](=O)[O-])cc1)c1ccc2n1CC[C@@H]2C(=O)O 25998241 ZOYBYIRHVONPMB-NSHDSACASA-N 300.270 2.199 5 1 DEBF C[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)n1c(=O)[nH]c3ccccc31)C2 100649650 NDHRWNBDOBNPLT-VXGBXAGGSA-O 316.381 2.084 5 1 DEBF CC1(C)OC(=O)C[C@H]1c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 586911691 SOZICSTXLMLCPA-LURJTMIESA-N 320.261 2.188 5 1 DEBF O=C(CCN1CC[N+]2(CCCC2)CC1)c1ccc([N+](=O)[O-])cc1 29323338 RRWKAUGVEOKCMN-UHFFFAOYSA-N 318.397 2.094 5 1 DEBF CN1CC[C@@H]2[C@H](CCC[C@@H]2NC(=O)c2ccc([N+](=O)[O-])cc2)C1 40440452 HRKMDSLEHKGZGW-BMFZPTHFSA-N 317.389 2.445 5 1 DEBF C/C=C/c1nc(CS(=O)(=O)c2ccccc2)c([N+](=O)[O-])n1C 1857561156 PJNSJJVHIOWUNI-XVNBXDOJSA-N 321.358 2.335 5 1 DEBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc(O)cc4[nH]3)nn2)c1 587269220 IPRSJQNNKGNIRH-UHFFFAOYSA-N 322.284 2.424 5 1 DEBF COc1ccc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2n1 587268159 MJNKQDBBCMHSJO-UHFFFAOYSA-N 316.321 2.243 5 1 DEBF COc1cc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2cc1F 587272776 BNIIISBVSVTMNT-UHFFFAOYSA-N 319.296 2.448 5 1 DEBF COCCn1cc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cn1 587280023 YMTOWSCRCQBBPK-UHFFFAOYSA-N 315.285 2.415 5 1 DEBF COc1cncc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c12 587268468 ZFDLAYXYNMETQD-UHFFFAOYSA-N 316.321 2.243 5 1 DEBF O=C(Nc1nnc(-c2ccco2)o1)c1cccc([N+](=O)[O-])c1 4107244 GDWSEGWVHTVUCH-UHFFFAOYSA-N 300.230 2.490 5 1 DEBF Cn1nc([N+](=O)[O-])cc1-c1nc2c(Br)ccnc2[nH]1 587274746 LEXKJFCVUMKSEI-UHFFFAOYSA-N 323.110 2.029 5 1 DEBF Cc1nn2c(=O)c([N+](=O)[O-])c(/C=C/c3ccco3)nc2s1 6494210 WZMNFMWWHPXWGV-SNAWJCMRSA-N 304.287 2.131 5 1 DEBF COc1cc2c(cc1O)CC[N+]1([O-])CC=C3C=C[C@H](OC)C[C@]321 40980916 KJUGMBCUNNTOMY-ZWSMLAFMSA-N 315.369 2.382 5 1 DEBF Cc1cc2[nH]c([C@@H](C)n3cc([N+](=O)[O-])cn3)nc2cc1[N+](=O)[O-] 587277408 VPEMZSOFCOUKDW-MRVPVSSYSA-N 316.277 2.494 5 1 DEBF CNC(=O)c1cc2nc3ccccc3c(=O)n2c2ccccc12 15630 OUGDIUVHUGTHEK-UHFFFAOYSA-N 303.321 2.361 5 1 DEBF CC(=O)Nc1cccc(Cc2nc3cncc([N+](=O)[O-])c3[nH]2)c1 587242761 RCVLDYQMNUWOQD-UHFFFAOYSA-N 311.301 2.415 5 1 DEBF O=C(COC(=O)[C@@H]1C[C@@H]2C=C[C@@H]1C2)Nc1ccc([N+](=O)[O-])cc1 104175144 BPLOXGHFUHUKIW-JTNHKYCSSA-N 316.313 2.289 5 1 DEBF COc1cc2c3c(ccc4c(=O)oc(OC)c(c43)[C@H](O)O2)c1 136622516 WADODAMIIIIYNZ-OAHLLOKOSA-N 300.266 2.347 5 1 DEBF C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)c1ccccc1 40976352 PTQWEICYVNJUTJ-SNVBAGLBSA-N 321.358 2.415 5 1 DEBF Cc1cc2c(O)nc(O)nc2nc1-c1cc([N+](=O)[O-])ccc1O 587556454 WYDXGKLNLCHERH-UHFFFAOYSA-N 314.257 2.025 5 1 DEBF C[C@@H](c1nc2ccc([N+](=O)[O-])cc2[nH]1)n1cc([N+](=O)[O-])cn1 587276376 KWQGFZMKXAODKU-ZETCQYMHSA-N 302.250 2.185 5 1 DEBF C[N+]1(C)CC[C@@H](OC(=O)C(O)(C2CCCC2)C2CCCC2)C1 71789509 GLFQFKPAFVHRMF-MRXNPFEDSA-N 310.458 2.490 5 1 DEBF O=[N+]([O-])c1ccc(F)cc1-c1ccc2c(O)nc(O)nc2n1 587368974 YVZKMMXNZMEHKX-UHFFFAOYSA-N 302.221 2.150 5 1 DEBF COc1cc2c3c(c1)O[C@@]1(CCCC[C@H]1[N+](=O)[O-])[C@@H](C2)C3=O 587430665 KTHMSSJRNAPHKR-GHJWDPDVSA-N 303.314 2.401 5 1 DEBF CC(C)Cn1c2ccccc2c2nc3nc(N)nc(N)c3nc21 45301813 WSAIWZAEEZRKRE-UHFFFAOYSA-N 307.361 2.348 5 1 DEBF O=C(O)CCc1c(C(=O)O)[nH]c2c([N+](=O)[O-])ccc(Cl)c12 299860807 HEIBHUXQDSOJNM-UHFFFAOYSA-N 312.665 2.445 5 1 DEBF C[N+]1(CCC[N+]2(C)C[C@H]3[C@@H]4C=C[C@@H](CC4)[C@H]3C2)CCOCC1 13099037 JMKKOXFXRSJPNL-FYWPLVJMSA-N 306.494 2.142 5 1 DEBF O=C(c1n[nH]cc1[N+](=O)[O-])n1nc2cc1Oc1ccc(F)cc1-2 587874621 GMMMIITYYWVODZ-UHFFFAOYSA-N 315.220 2.115 5 1 DEBF COc1ccc(CCN2CC[N+]3(CC2)C[C@@H](C)O[C@H](C)C3)cc1 28961819 VLFNYTWLNNZDQY-IAGOWNOFSA-N 319.469 2.177 5 1 DEBF O=C(O)CCCCCCCNC(=O)c1ccc([N+](=O)[O-])cc1O 34467300 LMYLKSVWZKEXHX-UHFFFAOYSA-N 324.333 2.455 5 1 DEBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Cl)ncc3[nH]2)[C@H]1C[N+](=O)[O-] 587265637 XEIRITMEPGGNFL-HLTSFMKQSA-N 322.752 2.272 5 1 DEBF O=C(c1ccc([N+](=O)[O-])cc1)c1ccc2n1CC[C@H]2C(=O)O 25998233 ZOYBYIRHVONPMB-LLVKDONJSA-N 300.270 2.199 5 1 DEBF Cc1ccc(Cn2c3nc(=O)nc(O)c-3nc3ccccc32)cc1 261102831 GTSOVRGYRBDAAM-UHFFFAOYSA-N 318.336 2.354 5 1 DEBF O=c1c2cc(Cl)ccc2nc2ccc(N3CCCC3)nn12 4434595 RVIFGXJNKWJBHI-UHFFFAOYSA-N 300.749 2.496 5 3 DEBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Cl)cnc3[nH]2)[C@@H]1C[N+](=O)[O-] 587263961 PORYYUAEDSTSPQ-SZEHBUNVSA-N 322.752 2.272 5 1 DEBF Cc1cc(O)n2nc(SCc3ccccc3[N+](=O)[O-])nc2n1 95573833 KOYHPHUKFRMCMG-UHFFFAOYSA-N 317.330 2.339 5 1 DEBF O=C(O)/C=C/C=C/c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587966417 CMBFSQCOTPEGPH-ZPUQHVIOSA-N 304.218 2.033 5 1 DEBF C[C@H]1CCC[C@@H](NC(=O)COC(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1C 4965039 QETSVXHUMUSHDS-HBNTYKKESA-N 324.333 2.286 5 1 DEBF COc1ccc2c(=O)oc3c4c(cc5c(=O)oc1c2c35)OCO4 95485955 YTKVQLKBZJOXGP-UHFFFAOYSA-N 312.233 2.228 5 1 DEBF biogenic,in-vitro C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cccc(C(=O)O)c2[nH]1 587274910 WHKPWFOAKKMZFQ-MRVPVSSYSA-N 315.289 2.170 5 1 DEBF COC(=O)Cc1cc2c(cc1[N+](=O)[O-])N[C@@H](CNC(C)C)CC2 29395968 DYJXVULCFPLVDV-CYBMUJFWSA-N 321.377 2.035 5 1 DEBF O=[N+]([O-])c1ccn(CCCc2nc3cncc(Cl)c3[nH]2)n1 587273651 NBYKZBXSZVDZDK-UHFFFAOYSA-N 306.713 2.349 5 1 DEBF Cc1ccnc2[nH]c(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)nc12 587270635 XHHNTJJJAQRQCG-UHFFFAOYSA-N 321.300 2.422 5 1 DEBF O=C(COC(=O)[C@H]1C[C@H]2C=C[C@@H]1C2)Nc1ccc([N+](=O)[O-])cc1 104175141 BPLOXGHFUHUKIW-WDMOLILDSA-N 316.313 2.289 5 1 DEBF COC(=O)c1c(O)c(C)cc2oc3cccc(O)c3c(=O)c12 40395675 APZXMGSEKPQHCA-UHFFFAOYSA-N 300.266 2.452 5 1 DEBF Cc1nc(N2CCC(C)CC2)nc(-n2ccnc2C)c1[N+](=O)[O-] 38874378 FKCWEWQNZOCIIA-UHFFFAOYSA-N 316.365 2.424 5 1 DEBF N[C@@]1(c2nc3c4cccnc4c4ncccc4c3[nH]2)CCOC1 587248311 MJCCTAIOUIZAQR-KRWDZBQOSA-N 305.341 2.234 5 1 DEBF COC(=O)[C@@H](N=O)c1ccc(Br)cc1[N+](=O)[O-] 957572236 WBDIPWCPXNIXPL-QMMMGPOBSA-N 303.068 2.338 5 1 DEBF COc1cc(C(=O)NCCN(C)C)c2nc3ccccc3nc2c1 27902869 ZTJBYKGGWSKWRR-UHFFFAOYSA-N 324.384 2.083 5 1 DEBF C[C@H](c1nc2ccc([C@H](N)N=O)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587275755 GGZVCMBTGVHKEV-JMCQJSRRSA-N 315.293 2.001 5 1 DEBF COC(=O)c1c(-c2cnn(C)c2)[nH]c2cccc([N+](=O)[O-])c12 587647974 WRNSTJWUUGRYPX-UHFFFAOYSA-N 300.274 2.263 5 1 DEBF Cc1nc2ccc([N+](=O)[O-])cc2c(=O)n1OCc1ccccc1 45201893 RLIQJMRZHRTQPO-UHFFFAOYSA-N 311.297 2.242 5 1 DEBF Cn1cc([N+](=O)[O-])c(C(=O)c2coc3cc([N+](=O)[O-])ccc23)n1 587280200 NQRPTKIEUJGGCU-UHFFFAOYSA-N 316.229 2.214 5 1 DEBF CC(=O)O[C@@H]1[C@H]2CC[C@H]1[C@H]1[C@H]2N=NN1c1ccc([N+](=O)[O-])cc1 254143396 HTDOPPBDHXBYCB-YYFQZIEXSA-N 316.317 2.491 5 1 DEBF COc1ccccc1/C=C/c1ncc([N+](=O)[O-])n1C[C@H](C)O 96929047 AGGPGFFVBRMLNI-AEZGRPFRSA-N 303.318 2.351 5 1 DEBF OC[C@@H](O)[C@@H](O)c1nc2c3ccccc3c3ccccc3c2[nH]1 586886740 CAUGIBJZUVIENA-RHSMWYFYSA-N 308.337 2.256 5 1 DEBF COc1cc(O)c2c(=O)c3c(O)c(OC)c(OC)cc3oc2c1 14648907 DSIDVJHJXCWSOM-UHFFFAOYSA-N 318.281 2.383 5 1 DEBF biogenic COc1cc2c(=O)c3c(O)cc(O)cc3oc2c(O)c1OC 14649044 XSTWGUHABMMDCN-UHFFFAOYSA-N 304.254 2.080 5 1 DEBF biogenic O=C(c1cccc([N+](=O)[O-])c1)c1ccc2n1CC[C@@H]2C(=O)O 25997085 WQOPDXBKFXPQBE-NSHDSACASA-N 300.270 2.199 5 1 DEBF Nc1nc(-n2nc3cc2Oc2ccc(F)cc2-3)ncc1[N+](=O)[O-] 587875651 TWIBLGBPJDJRCI-UHFFFAOYSA-N 314.236 2.065 5 1 DEBF COc1cc2nc([C@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2cc1F 587275525 DQQSNQRWLNRWQE-ZETCQYMHSA-N 305.269 2.425 5 1 DEBF CS(=O)(=O)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587645596 ZFABTZBOCJYZMJ-UHFFFAOYSA-N 308.237 2.498 5 1 DEBF Nc1cccc(O)c1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587249681 HVXKITARIQTZQK-UHFFFAOYSA-N 315.245 2.334 5 1 DEBF O=c1[nH]c2c([N+](=O)[O-])c(Cl)c(Cl)c(Cl)c2nc1O 13743983 WVHOABKGVYIJPI-UHFFFAOYSA-N 310.480 2.497 5 1 DEBF O=c1c2cccnc2oc2c(Cn3ccnc3)ccc([N+](=O)[O-])c12 49036471 BRQYHOBZNRVSFJ-UHFFFAOYSA-N 322.280 2.494 5 1 DEBF O=C(O)c1cccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c12 587269147 QXOFVTQJYGWIOR-UHFFFAOYSA-N 313.273 2.176 5 1 DEBF COc1c(OC)c2c3c(c1O)c(=O)oc1cc(O)cc(c13)CC2 15216539 PHSQBKCKZRQIDM-UHFFFAOYSA-N 314.293 2.473 5 1 DEBF biogenic C[C@@H](c1nc2cc(C(=O)O)c(F)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587277312 SNFSJHOVIYLSFA-LURJTMIESA-N 319.252 2.114 5 1 DEBF COC(=O)CC[C@H](N)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587258554 NHOSDPSKFOWOMX-ZETCQYMHSA-N 312.713 2.078 5 1 DEBF CCOC(=O)c1[nH]c2c([N+](=O)[O-])cccc2c1CCC(=O)O 299872050 ZUDIUTAUJKEZBC-UHFFFAOYSA-N 306.274 2.270 5 1 DEBF CN1CC[C@@H]2[C@@H](CCC[C@H]2NC(=O)c2ccc([N+](=O)[O-])cc2)C1 299804589 HRKMDSLEHKGZGW-NUEKZKHPSA-N 317.389 2.445 5 1 DEBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(F)cnc2[nH]1 587269987 USENUOXZTQQGGZ-UHFFFAOYSA-N 316.248 2.397 5 1 DEBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ncc[nH]c-3n2)c1 587270014 VAXRJGAMMPCDIN-UHFFFAOYSA-N 310.317 2.480 5 1 DEBF C[C@@H]1CC(=O)[C@H](Cc2nc3c(Cl)ccnc3[nH]2)[C@H]1C[N+](=O)[O-] 587266292 ZVTBPFIJDFCGSG-HLTSFMKQSA-N 322.752 2.272 5 1 DEBF CC1(C)C[C@@H]1C(=O)N/C(=C\CCCCC[N+](C)(C)C)C(=O)O 26021891 NOSQAJGISWGCEY-JFBXQDQPSA-O 311.446 2.384 5 1 DEBF N[C@@H](CCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)O 13780223 IVHTYHTUBNZYRI-QMMMGPOBSA-N 321.255 2.218 5 1 DEBF N[C@H](c1nc2cc([N+](=O)[O-])cnc2[nH]1)c1ccc(F)cc1F 587151543 SFOHYRQASJBEDG-NSHDSACASA-N 305.244 2.192 5 1 DEBF O=C1c2ccc([N+](=O)[O-])cc2NC2=C(Br)CCN12 957560902 RQTOMYYULBBXDO-UHFFFAOYSA-N 310.107 2.430 5 1 DEBF CN1CCO[C@@](O)(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1 473128433 ZQIQFGKIFFQDMD-QGZVFWFLSA-N 314.341 2.369 5 1 DEBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cn1ccc([N+](=O)[O-])n1)O2 587389190 JTLZLAUSTGDYIH-OAHLLOKOSA-N 316.317 2.106 5 1 DEBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(Cl)nc3[nH]2)[C@H]1C[N+](=O)[O-] 587262204 GDEVPENXNNYFIP-HLTSFMKQSA-N 322.752 2.272 5 1 DEBF CN[C@@H](c1cccnc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587222353 KDDWOIYLYMTZTE-ZDUSSCGKSA-N 301.281 2.314 5 1 DEBF O=[N+]([O-])c1cccc(CN[C@]23O[C@H]4[C@H]5[C@@H]2[C@H]2C[C@@H]5[C@@H]5[C@@H]2[C@@H]3[C@H]45)c1 195187711 GKCCEHGRTWUFEG-GHWIEOMXSA-N 310.353 2.167 5 1 DEBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3c(N)ccnc3[nH]2)c1 587262469 AAUGRMVZHNDAJW-UHFFFAOYSA-N 313.317 2.378 5 1 DEBF COc1ccc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 587273562 IHVZWLZOMIJRMT-SECBINFHSA-N 301.306 2.480 5 1 DEBF C[N+](C)([O-])CCNc1ccc2ncn3c4ccccc4c(=O)c1c23 101446261 GOSGTBBDAWHJJV-UHFFFAOYSA-N 322.368 2.425 5 1 DEBF Cc1c(NC(N)=O)cccc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 587238856 GLTIKRQAFGNQLT-UHFFFAOYSA-N 312.289 2.332 5 1 DEBF O=[N+]([O-])c1ccc(C[C@]2(O)c3ccccc3C3=NCCCN32)cc1 28954237 FCZFQMGHPBNECX-SFHVURJKSA-N 323.352 2.449 5 1 DEBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4cccc(O)c4[nH]3)nn2)c1 587270614 WRIAVDFYGLLTMC-UHFFFAOYSA-N 322.284 2.424 5 1 DEBF O=C1CS[C@H](c2c(F)cccc2F)N1[C@@H]1CC[C@@H]1[N+](=O)[O-] 40428804 DIEVHEDSLKQSSU-GBIKHYSHSA-N 314.313 2.347 5 1 DEBF O=C1CS[C@@H](c2c(F)cccc2F)N1[C@H]1CC[C@@H]1[N+](=O)[O-] 40428807 DIEVHEDSLKQSSU-KWBADKCTSA-N 314.313 2.347 5 1 DEBF O=[N+]([O-])c1ccccc1/C=C/[C@H]1NC(=S)N2CCCCN12 96282430 IGPLHCWYTLSZRG-GWJCSSMESA-N 304.375 2.135 5 1 DEBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc3cn[nH]c3cc2[nH]1 587267214 GTXMTWIKZQGGKD-MRVPVSSYSA-N 311.305 2.462 5 1 DEBF COC(=O)c1cccc2nc([C@@H](C)n3cc([N+](=O)[O-])cn3)[nH]c12 587277418 VQHBDKHFQABUNH-MRVPVSSYSA-N 315.289 2.064 5 1 DEBF CC1=NC(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]1C(=O)OC(C)C 169730074 FDQDEAFGKVKTIA-OLZOCXBDSA-N 319.317 2.388 5 1 DEBF O=[N+]([O-])c1ccn(CCCc2nc3cc(Cl)ncc3[nH]2)n1 587273916 PZZZOQHCHNOWTE-UHFFFAOYSA-N 306.713 2.349 5 1 DEBF Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2C(=O)O)n1 103233746 HYLYCYQXJVPDAK-UHFFFAOYSA-N 301.258 2.249 5 1 DEBF O=C(O)[C@@H](O)[C@@H](O)c1nc2c3ccccc3c3ccccc3c2[nH]1 586885570 CMPATEDNOJVHMK-CVEARBPZSA-N 322.320 2.348 5 1 DEBF O=C(/C=C/c1cccc([N+](=O)[O-])c1)n1[nH][n+](=O)c2ccccc21 1772621581 BOOOJNANQSXIAR-CMDGGOBGSA-N 311.277 2.146 5 1 DEBF CC(C)c1ccc2oc3nc(N)c(-c4nnn[nH]4)cc3c(=O)c2c1 27636103 YHCFWEQYIPEHCK-UHFFFAOYSA-N 322.328 2.227 5 1 DEBF O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 3896942 PQPQVZIFCZGIFQ-TUAOUCFPSA-N 310.375 2.309 5 1 DEBF CSC1=NC(=O)[C@]2(CC(C)(C)Oc3ccc([N+](=O)[O-])cc32)N1 29307458 AHMYTNCGRFLEGX-CQSZACIVSA-N 321.358 2.200 5 1 DEBF Cn1nc([N+](=O)[O-])cc1-c1nc2cc(Br)cnc2[nH]1 587275180 YCPMGRWSUJIIGG-UHFFFAOYSA-N 323.110 2.029 5 1 DEBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc(O)cc2[nH]1 587263862 HCBPFIDJDLCNNS-JTQLQIEISA-N 314.301 2.125 5 1 DEBF O=c1c2cc([N+](=O)[O-])cnc2sn1-c1ccc([N+](=O)[O-])cc1 1654017 HIFFZHAFMRRMFV-UHFFFAOYSA-N 318.270 2.264 5 1 DEBF Nc1nc(N)c2cc(NCc3ccc([N+](=O)[O-])cc3)ccc2n1 299866072 OINKATJNOAYBEF-UHFFFAOYSA-N 310.317 2.315 5 1 DEBF N[C@]1(c2nc3cncc([N+](=O)[O-])c3[nH]2)C[C@H]1c1ccccc1F 587153794 DDWXEWQCYBIFMM-BJOHPYRUSA-N 313.292 2.347 5 1 DEBF O=C(Nc1nnc(-c2cccnc2)o1)c1cccc([N+](=O)[O-])c1 4264974 YJIPHRWKNNODTI-UHFFFAOYSA-N 311.257 2.292 5 3 DEBF CC[C@@H](C)NC(=O)c1nc(-c2cccc([N+](=O)[O-])c2)cnc1N 473105950 UXEKTMIXBMPJRC-SECBINFHSA-N 315.333 2.162 5 1 DEBF Cc1nccc2[nH]c(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)nc12 587269694 MKZKUGZDVNHONZ-UHFFFAOYSA-N 321.300 2.422 5 1 DEBF Cc1[nH]cnc1CN1CCN(c2cccc([N+](=O)[O-])c2)C1=O 13765791 VBVJQCRCYQVAKH-UHFFFAOYSA-N 301.306 2.069 5 1 DEBF C[C@H](c1nc2cc3c(cc2[nH]1)OCCO3)n1cc([N+](=O)[O-])cn1 587277556 YDMFGEJBZFNQTC-MRVPVSSYSA-N 315.289 2.048 5 1 DEBF C[N+]1(C)CC[C@H](OC(=O)C(O)(C2CCCC2)C2CCCC2)C1 71789508 GLFQFKPAFVHRMF-INIZCTEOSA-N 310.458 2.490 5 1 DEBF O=C(Cc1ccccc1)NCCc1nc2cccc([N+](=O)[O-])c2[nH]1 587228416 LGYBYEJNZMMBJC-UHFFFAOYSA-N 324.340 2.373 5 1 DEBF CC(=O)O[C@@H]1[C@H]2CC[C@@H]1[C@@H]1[C@@H]2N=NN1c1ccc([N+](=O)[O-])cc1 5857739 HTDOPPBDHXBYCB-NJVJYBDUSA-N 316.317 2.491 5 1 DEBF COC(=O)c1cccc2oc3cc(CO)cc(OC)c3c(=O)c12 14455392 ZPQXBOXNZRCPIH-UHFFFAOYSA-N 314.293 2.234 5 1 DEBF biogenic COc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1[N+](=O)[O-] 587553716 HHYHRPLZNLHTOT-UHFFFAOYSA-N 314.257 2.020 5 1 DEBF CC[N+]1(C[C@@H](O)CO[C@H]2C[C@@H](C)CC(C)(C)C2)CCOCC1 13307050 LDHSDHWSXOQHLI-ZACQAIPSSA-N 314.490 2.446 5 1 DEBF Cn1nc([N+](=O)[O-])cc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 587274336 JFCYLZKMGIKZQT-UHFFFAOYSA-N 312.211 2.285 5 1 DEBF O=C(N=c1[nH]c2ccccc2[nH]1)c1ccc(F)c([N+](=O)[O-])c1 36184970 ICASVCJRPSILAG-UHFFFAOYSA-N 300.249 2.284 5 1 DEBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2nc(Cl)c[nH]c-2n1 587271043 XYAUTILAGNTMPA-VIFPVBQESA-N 318.724 2.109 5 1 DEBF OC[C@H](O)[C@H](O)c1nc2c3ccccc3c3ccccc3c2[nH]1 586886743 CAUGIBJZUVIENA-YOEHRIQHSA-N 308.337 2.256 5 1 DEBF Cc1ccc(C2=NCCn3c2c2ccc([N+](=O)[O-])cc2[n+]3[O-])cc1 36383476 QMAWECFNTYSTQT-UHFFFAOYSA-N 322.324 2.342 5 3 DEBF CCSCCCNC[C@@H](O)COc1ccccc1[N+](=O)[O-] 169330822 ZWBQCLFKAVLXRS-GFCCVEGCSA-N 314.407 2.067 5 1 DEBF CNC(=O)C1=C[C@](C)(C(F)(F)F)Oc2ccc([N+](=O)[O-])cc21 26401307 ZUCNOWGRNYYKIC-GFCCVEGCSA-N 316.235 2.438 5 1 DEBF COc1c(O)cc(O)c2c(=O)c3c(OC)c(O)ccc3oc12 14648945 KCOGUTDOSVKXOK-UHFFFAOYSA-N 304.254 2.080 5 1 DEBF biogenic N[C@@H](c1nc2c3cccnc3c3ncccc3c2[nH]1)C1COC1 587256109 YQXJLJISQNZKQG-GFCCVEGCSA-N 305.341 2.306 5 1 DEBF O=[N+]([O-])c1cccc(CN[C@]23O[C@H]4[C@@H]5[C@H]6C[C@H]([C@@H]52)[C@@H]2[C@@H]6[C@@H]4[C@@H]23)c1 253674227 GKCCEHGRTWUFEG-WHWCGYEVSA-N 310.353 2.167 5 1 DEBF CN(C)CCNc1ccc2ncn3c4ccccc4c(=O)c1c23 5723876 ZRCXWSWJMWWTFD-UHFFFAOYSA-N 306.369 2.412 5 1 DEBF in-vivo O=C(CCc1cc2c(cc1[N+](=O)[O-])OCO2)N1CCCCC1 96935518 WTFRGOWESDMLHX-UHFFFAOYSA-N 306.318 2.269 5 1 DEBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2c(Cl)ncnc2[nH]1 587267252 HPWWXOWYEQIHEV-ZCFIWIBFSA-N 307.701 2.029 5 1 DEBF COc1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c1 587265208 UYMYSKUUXWTCFM-DLOVCJGASA-N 317.345 2.232 5 1 DEBF NC(=O)CSc1c2cc(O)ccc2nc2ccc(O)cc12 5940216 QOYBWWRICBLLBD-UHFFFAOYSA-N 300.339 2.377 5 1 DEBF O=C1c2ccoc2CC[C@@H]1Cc1nc2cncc([N+](=O)[O-])c2[nH]1 586909225 WWBQUMGXHSUWSU-MRVPVSSYSA-N 312.285 2.447 5 1 DEBF Nc1ccnc2[nH]c(COc3ccc([N+](=O)[O-])c(F)c3)nc12 587148106 AHEPQDZZIWUTBY-UHFFFAOYSA-N 303.253 2.166 5 1 DEBF COc1cc(O)c2c(=O)c3ccc(OC)c(O)c3n(C)c2c1 14725172 VPMIRWSZFAXDKP-UHFFFAOYSA-N 301.298 2.120 5 1 DEBF biogenic N=C(N)Nc1ccc(C(=O)Oc2cccc([N+](=O)[O-])c2)cc1 299863665 LIJHCOQWUYPXSK-UHFFFAOYSA-N 300.274 2.119 5 1 DEBF CC1(C)c2ccc([N+](=O)[O-])cc2[C@@H](N2CCCCC2=O)[C@H]1O 28007445 WULZRCBWLBUOSA-HUUCEWRRSA-N 304.346 2.301 5 1 DEBF O=C1Nc2ccc([N+](=O)[O-])cc2[C@@]1(O)c1cc(Cl)ccc1O 29310647 YOOACWPSRVYQQL-CQSZACIVSA-N 320.688 2.142 5 1 DEBF COc1cccc2c(=O)c3c(O)cc(OC[C@@H]4CO4)cc3oc12 28822724 YMTPHYAVFOCVQC-SNVBAGLBSA-N 314.293 2.438 5 1 DEBF CCSc1c(Cl)cc2[nH]c(=O)c(O)nc2c1[N+](=O)[O-] 13761211 AEOIZSSKEQUNLG-UHFFFAOYSA-N 301.711 2.302 5 1 DEBF O=C(NC1CCCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc2c1=O 26378387 KDMWBYPPDLYZHB-UHFFFAOYSA-N 315.329 2.499 5 1 DEBF NCCNCCCNC(=O)c1ccc2nc3ccccc3cc2c1 26819419 TVPOXZAJGVWRRV-UHFFFAOYSA-N 322.412 2.056 5 1 DEBF O=[N+]([O-])c1ccccc1/C=C/[C@@H]1NC(=S)N2CCCCN12 96282429 IGPLHCWYTLSZRG-SBDDDAINSA-N 304.375 2.135 5 1 DEBF COC(=O)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)C[C@@H]2CC[C@@H]1N2C 169298425 JWBRJGZNZCKAEB-XGUBFFRZSA-N 304.346 2.334 5 1 DEBF COc1c(O)c(CO)c2c3c(cc4ccc(O)cc4c13)NC2=O 13372590 OPLABVRZSBPKCL-UHFFFAOYSA-N 311.293 2.471 5 1 DEBF biogenic,in-vitro CCCCN(C)c1nc(C)c([N+](=O)[O-])c(-n2ccnc2C)n1 38874374 MHPAXXBYEZGBPZ-UHFFFAOYSA-N 304.354 2.424 5 1 DEBF COc1ccc(OC[C@@]2(C)Cn3cc([N+](=O)[O-])nc3O2)cc1 34086757 PJJPXTPXTJSGQY-CQSZACIVSA-N 305.290 2.030 5 1 DEBF Cc1ccc(C(=O)NCCN(C)C)c2nc3ccccc3nc12 27902815 NTTWBYMORAJBFK-UHFFFAOYSA-N 308.385 2.383 5 1 DEBF COc1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c1 587265210 UYMYSKUUXWTCFM-USWWRNFRSA-N 317.345 2.232 5 1 DEBF Cn1nc(C(F)(F)F)cc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 587117834 LOZUBYSCWIYJGJ-UHFFFAOYSA-N 312.211 2.285 5 1 DEBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cccc(O)c2[nH]1 587264972 QSISKIJNNOKQNM-VIFPVBQESA-N 314.301 2.125 5 1 DEBF COc1cc(O)c2c(=O)c3ccc(O)c(OC)c3n(C)c2c1 3801131 OQMSMWRXIZYYNR-UHFFFAOYSA-N 301.298 2.120 5 1 DEBF endogenous,in-man COc1cc2nc(Cn3c([N+](=O)[O-])cnc3C)[nH]c2cc1C 587273086 DJIOHYJDSJUUEV-UHFFFAOYSA-N 301.306 2.341 5 1 DEBF N=C(N)c1ccc2c(ccn2Cc2ccc([N+](=O)[O-])cc2N)c1 26746067 CDKWKTKYTBQOLG-UHFFFAOYSA-N 309.329 2.464 5 1 DEBF CC[C@H](C)NC1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc2S1 95582977 YMPNHXLVHKEKFC-ZETCQYMHSA-N 315.376 2.133 5 1 DEBF CC[N+](C)(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC 13600161 ZZRJLGCZRPYSHV-UHFFFAOYSA-O 314.837 2.147 5 1 DEBF CC[N+]1(C[C@@H](O)CO[C@@H]2C[C@@H](C)CC(C)(C)C2)CCOCC1 13307044 LDHSDHWSXOQHLI-BRWVUGGUSA-N 314.490 2.446 5 1 DEBF CS(=O)(=O)c1ccc(-c2cc(C=O)c(O)c([N+](=O)[O-])c2)cc1 169699648 RENOHNMWLSLPBF-UHFFFAOYSA-N 321.310 2.183 5 1 DEBF C[C@@H]1CC(=O)[C@H](Cc2nc3cccc(F)c3[nH]2)[C@H]1C[N+](=O)[O-] 587264448 RUPSPCHWRPXTAV-BBBLOLIVSA-N 305.309 2.363 5 1 DEBF C[C@@H]1CCC(=O)N1[C@@H]1c2cc([N+](=O)[O-])ccc2C(C)(C)[C@H]1O 13820482 KIQTXVQSKRUYCC-ZWZTZDBGSA-N 304.346 2.299 5 1 DEBF Cc1ccccc1Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O 40979839 VWTSCMDSKZPDJE-UHFFFAOYSA-N 307.331 2.294 5 1 DEBF C=C1c2[nH]c3c([N+](=O)[O-])c(OC)ccc3c2CCN1C(C)=O 1620070 FNNNVWJBLDOSJD-UHFFFAOYSA-N 301.302 2.460 5 1 DEBF CC[C@H]1CN(c2cc(=O)n3ccc4ccccc4c3n2)CCO1 13608186 FFDVKXGMOXGQDE-AWEZNQCLSA-N 309.369 2.463 5 1 DEBF O=C(O)C[C@H](O)Cc1nc2cc3nc4ccccc4nc3cc2[nH]1 586887434 FJDQWUXNIOMHDZ-SECBINFHSA-N 322.324 2.037 5 1 DEBF Cc1nccn1-c1cc2c(cc1[N+](=O)[O-])nc(O)c1ncc(C)n12 26168793 CUOUHBUAGNCHJQ-UHFFFAOYSA-N 324.300 2.299 5 1 DEBF Cc1cnc(Cl)c2[nH]c(-c3cnc(N)c([N+](=O)[O-])c3)nc12 587267959 KFQRDFHOMUEMFW-UHFFFAOYSA-N 304.697 2.472 5 1 DEBF CS(=O)(=O)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587645205 LBMNDRZVTGUPKW-UHFFFAOYSA-N 308.237 2.498 5 1 DEBF C[C@@H]1CC(=O)[C@H](Cc2nc3cncc(Cl)c3[nH]2)[C@H]1C[N+](=O)[O-] 587263268 LBYYMUYLXCYPNY-HLTSFMKQSA-N 322.752 2.272 5 1 DEBF O=C(N=c1[nH]c2cc(F)c(F)cc2[nH]1)c1cccc([N+](=O)[O-])c1 40565233 DTYRVUAKZAOGMF-UHFFFAOYSA-N 318.239 2.424 5 1 DEBF CCCc1sc(N)nc1-c1nc2cncc([N+](=O)[O-])c2[nH]1 587013719 XKRWQMSRWIDEHX-UHFFFAOYSA-N 304.335 2.524 5 1 DEBF Cc1ncc([N+](=O)[O-])n1CCOc1nonc1-c1ccccc1 38781848 GZYXEUOHQKJZMH-UHFFFAOYSA-N 315.289 2.229 5 1 DEBF O=C(O)Cc1ccc(Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 587958984 JIVKREAQHVFCDT-UHFFFAOYSA-N 312.285 2.084 5 1 DEBF O=C(O)CCCC[P@@](=O)(O)Oc1ccc([N+](=O)[O-])cc1 3591095 XVVZSEXTAACTPS-UHFFFAOYSA-N 303.207 2.414 5 1 DEBF in-vivo O=C1OCC(NNc2ccc([N+](=O)[O-])cc2)=C1c1ccccc1 66075923 GJXXZFKSYRQBAV-UHFFFAOYSA-N 311.297 2.479 5 1 DEBF O=[N+]([O-])c1cccc(CN[C@@]23O[C@H]4[C@@H]5[C@@H]6[C@H]([C@@H]7C[C@@H]6[C@@H]4[C@@H]72)[C@@H]53)c1 169362528 GKCCEHGRTWUFEG-RHYQTXFUSA-N 310.353 2.167 5 1 DEBF CC1=NC(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]1C(=O)OC(C)C 169730076 FDQDEAFGKVKTIA-STQMWFEESA-N 319.317 2.388 5 1 DEBF COc1cc2oc3c(OC)c(OC)cc(O)c3c(=O)c2cc1O 238753247 NIHIGDOSOYANKB-UHFFFAOYSA-N 318.281 2.383 5 1 DEBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc3c(cc2[nH]1)OCO3 587274533 PTJJERSDHCDYLC-MRVPVSSYSA-N 315.289 2.200 5 1 DEBF COc1cccc(-c2ccc3c(O)nc(O)nc3n2)c1[N+](=O)[O-] 587556616 YDWOECPAQAPLLD-UHFFFAOYSA-N 314.257 2.020 5 1 DEBF CNC(=O)N(C)[C@@H]1c2cc([N+](=O)[O-])ccc2Oc2ncccc21 28009186 RZMGOAVYPDJRQS-ZDUSSCGKSA-N 314.301 2.456 5 1 DEBF COc1cc2c3c(c1)O[C@H](c1ccncc1[N+](=O)[O-])[C@@H](C2)C3=O 587431847 HNDNVLHHOZWXLQ-MEDUHNTESA-N 312.281 2.487 5 1 DEBF O=NCc1cn(CCC(=O)O)nc1-c1cccc([N+](=O)[O-])c1 169690737 WYXHLLUIODUEGD-UHFFFAOYSA-N 304.262 2.199 5 1 DEBF O=[N+]([O-])c1ccc2c(c1)-c1c3c(ncc1=N2)=c1ccccc1=N3 169712602 NJUKHNVFSXGRKK-UHFFFAOYSA-N 300.277 2.473 5 1 DEBF O=[N+]([O-])c1cnc(N2CCc3ccccc3C2)c([N+](=O)[O-])c1 82154096 KJXJMPGOVFOVAF-UHFFFAOYSA-N 300.274 2.461 5 1 DEBF O=C(O)Cc1ccc2c(=O)c3ccccc3oc2c1CC(=O)O 27873659 GNXAFHAIKTZHIR-UHFFFAOYSA-N 312.277 2.200 5 1 DEBF Oc1nnc2c3cc(CN4CC(O)C4)ccc3oc3cccc1c32 38237500 JWBBEMMPVOUECO-UHFFFAOYSA-N 321.336 2.411 5 1 DEBF COc1cc2c3c(c1)O[C@]1(CC[C@@H](C[N+](=O)[O-])C1)[C@@H](C2)C3=O 587434464 VRDPYICPQWLBHV-ABYOOWDOSA-N 303.314 2.258 5 1 DEBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2c(Cl)ncnc2[nH]1 587267250 HPWWXOWYEQIHEV-LURJTMIESA-N 307.701 2.029 5 1 DEBF O=C(NCc1ccc([N+](=O)[O-])cc1)OCCCc1c[nH]cn1 13747069 QNNVSXXEEQBKFA-UHFFFAOYSA-N 304.306 2.177 5 1 DEBF CN(C)CCOC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82086368 LQGJUUVOLBEKBL-UHFFFAOYSA-N 321.358 2.437 5 1 DEBF COc1cc(OCc2nc3cnccc3[nH]2)ccc1[N+](=O)[O-] 587261827 JXLWLDPYDQELOA-UHFFFAOYSA-N 300.274 2.454 5 1 DEBF O=C(c1cc([N+](=O)[O-])n[nH]1)c1coc2cc([N+](=O)[O-])ccc12 587280523 YVQHEFMMDLKGMO-UHFFFAOYSA-N 302.202 2.203 5 1 DEBF COc1cc(OC)n2cc(-c3ccc([N+](=O)[O-])cc3)nc2n1 169350224 MFHYWZRXKNCMAY-UHFFFAOYSA-N 300.274 2.322 5 1 DEBF Cc1ccc2c(c1)cc1c(=O)n(C)c(=O)nc-1n2-c1ccccc1 40379062 DTIGSBAAKFKVDO-UHFFFAOYSA-N 317.348 2.498 5 1 DEBF COc1ccc(C(=O)CN2C=C(C)C=C[C]2N)cc1[N+](=O)[O-] 2356831735 FHCIUWUYNYOPSO-UHFFFAOYSA-N 302.310 2.010 5 1 DEBF CCOc1ccc(C(=O)CN2[CH]C=CC(C)=C2N)cc1[N+](=O)[O-] 2356834979 HKBYNYTUSURSMW-UHFFFAOYSA-N 316.337 2.400 5 1 DEBF O=C(O)c1cc(=O)c2cc3c(oc(=O)c4ccccc43)c(O)c2o1 169316392 XVVFTIOWOMGTTE-UHFFFAOYSA-N 324.244 2.456 5 1 DEBF Nc1ncc(-c2nc3c(F)cnc(Cl)c3[nH]2)cc1[N+](=O)[O-] 587267615 BUQHAUNSMAREBL-UHFFFAOYSA-N 308.660 2.303 5 1 DEBF O=C(Cc1ccccc1)NCCc1nc2ccc([N+](=O)[O-])cc2[nH]1 587229033 YZKSEFPOASURCM-UHFFFAOYSA-N 324.340 2.373 5 1 DEBF O=C(c1c[nH]nc1[N+](=O)[O-])c1coc2cc([N+](=O)[O-])ccc12 587279722 PLXKZOWIAGRGQR-UHFFFAOYSA-N 302.202 2.203 5 1 DEBF NCCN1C(=O)S/C(=C\CCc2cccc([N+](=O)[O-])c2)C1=O 82157394 VQCMMIKZWVJTSI-SDQBBNPISA-N 321.358 2.065 5 1 DEBF O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)O 13154382 CARARMWAMTUKGH-GAQJKIJGSA-N 304.302 2.280 5 1 DEBF COc1cc2oc3cc(O)cc(O)c3c(=O)c2c(OC)c1OC 14648909 UHCAAIDAXYQQOG-UHFFFAOYSA-N 318.281 2.383 5 1 DEBF biogenic C[C@@H]1CC(=O)[C@@H](Cc2nc3ccnc(Cl)c3[nH]2)[C@H]1C[N+](=O)[O-] 587261847 DEUJEUOOLGVHCE-VGMNWLOBSA-N 322.752 2.272 5 1 DEBF NS(=O)(=O)c1cc2c(c([N+](=O)[O-])c1)Nc1ccccc1O2 103299675 IYLMXQCTLIUDMG-UHFFFAOYSA-N 307.287 2.092 5 1 DEBF COc1cccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c12 587274399 VBLSVOAFYZPUCR-UHFFFAOYSA-N 301.306 2.309 5 1 DEBF Cn1c2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccccc1F 1647174 HDIQTNBNWDYXAH-UHFFFAOYSA-N 301.277 2.436 5 1 DEBF CN(C)[C@](C)(C(=O)OC1CC[N+](C)(C)CC1)c1ccccc1 73158410 QEBAODYBLVOGEJ-SFHVURJKSA-N 305.442 2.245 5 1 DEBF COc1cc(C=O)c2c(c1)oc(=O)c1cc(O)c(OC)cc12 140040386 HAQBTDDAPNUETN-UHFFFAOYSA-N 300.266 2.482 5 1 DEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Cl)cnc3[nH]2)[C@H]1C[N+](=O)[O-] 587263958 PORYYUAEDSTSPQ-JEZHCXPESA-N 322.752 2.272 5 1 DEBF O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1O 141696907 SZSZELGAXPUXGX-UHFFFAOYSA-N 303.230 2.461 5 1 DEBF O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CCNc1ccccc1 95601235 XWVYITMHYYOYAL-UHFFFAOYSA-N 311.297 2.303 5 1 DEBF CC(C)(O)c1cn(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)nn1 169338586 HLGOEVBVUBQZED-UHFFFAOYSA-N 316.239 2.422 5 1 DEBF CC(=O)O[C@H]1[C@@H]2CC[C@@H]1[C@@H]1[C@@H]2N=NN1c1ccc([N+](=O)[O-])cc1 102953914 HTDOPPBDHXBYCB-RYPNDVFKSA-N 316.317 2.491 5 1 DEBF Cc1ncc([N+](=O)[O-])n1CC(=O)CNc1ccc(Cl)cc1 98083328 HCAOTMOAYWZIFJ-UHFFFAOYSA-N 308.725 2.434 5 1 DEBF O=c1c2cc(Cl)ccc2cnn1-c1ccncc1[N+](=O)[O-] 587653155 QWZCNXCFQIAUSB-UHFFFAOYSA-N 302.677 2.342 5 1 DEBF Cn1nc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c(F)c1O 587155522 LXSOCIXHGQJYTF-UHFFFAOYSA-N 311.660 2.370 5 1 DEBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(C(=O)O)cc2[nH]1 587266910 CLEHYAXOCDLWTN-MRVPVSSYSA-N 315.289 2.284 5 1 DEBF CCCn1c(C)cnc1C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1 1857765911 FCLFMVZFIIXFSW-UHFFFAOYSA-N 318.333 2.342 5 1 DEBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(CO)cc2[nH]1 587268218 PBXTXJBZVJADHS-UHFFFAOYSA-N 315.333 2.332 5 1 DEBF O=[N+]([O-])c1cccc(CN[C@]23O[C@H]4[C@@H]5[C@@H]6[C@H]([C@@H]7C[C@@H]6[C@@H]4[C@@H]72)[C@@H]53)c1 169362527 GKCCEHGRTWUFEG-LOQZPVLUSA-N 310.353 2.167 5 1 DEBF CO[C@@H](COc1cccc2ccccc12)C[N+](C)(C)CCO 28099088 RDVFLNVCFJGFHD-MRXNPFEDSA-N 304.410 2.302 5 1 DEBF COc1cc(-c2nc3c(N)ccnc3[nH]2)c(OC)c([N+](=O)[O-])c1 587260802 GBDANLMOEXYHNY-UHFFFAOYSA-N 315.289 2.133 5 1 DEBF O=C(O)Cc1cc(CC(=O)O)c2oc3ccccc3c(=O)c2c1 27876502 ALPJEFVLLBCYBZ-UHFFFAOYSA-N 312.277 2.200 5 1 DEBF CCSCCCNC[C@@H](O)COc1ccc([N+](=O)[O-])cc1 169346435 SLZQNTOPESLEKY-CYBMUJFWSA-N 314.407 2.067 5 1 DEBF O=C1NC(c2ccccc2)=C([N+](=O)[O-])[C@@H](c2ccc(O)cc2)N1 5871770 FZXYZAAJYXPPQW-CQSZACIVSA-N 311.297 2.392 5 1 DEBF Cc1nc[nH]c1CSCCNc1nccc(O)c1[N+](=O)[O-] 27549799 SUNQRMGMDYEUBB-UHFFFAOYSA-N 309.351 2.072 5 1 DEBF CCN(CC)CC/N=c1\c([N+](=O)[O-])c(O)oc2ccccc12 104066402 PYMJKZPLHRRFOC-SSZFMOIBSA-N 305.334 2.289 5 1 DEBF CC(=O)N1CCC2(CCN(Cc3ccc([N+](=O)[O-])o3)CC2)CC1 1857755756 NJIAGAMSKVBMPP-UHFFFAOYSA-N 321.377 2.412 5 1 DEBF CC1(C)Oc2cc(N)c([N+](=O)[O-])c(N3CCCCC3)c2C[C@@H]1O 40466356 UTVHOMCVQCGLSL-ZDUSSCGKSA-N 321.377 2.242 5 1 DEBF O=C(NN1Cc2ccccc2C1)c1cc([N+](=O)[O-])ccc1F 84669143 ULUIPUYHEHVDKA-UHFFFAOYSA-N 301.277 2.395 5 1 DEBF CC(C)(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OS(C)(=O)=O 5355210 XKKQXGQLSJXQOS-UHFFFAOYSA-N 318.307 2.139 5 1 DEBF O=[N+]([O-])c1ccccc1CN[C@@]12O[C@H]3[C@@H]4[C@@H]5[C@H]([C@@H]6C[C@@H]5[C@@H]3[C@@H]61)[C@@H]42 169362521 QLIBBSDFSQDDLG-HWKGPCDNSA-N 310.353 2.167 5 1 DEBF O=C1NC(=O)/C(=C\c2ccc(-n3cc([N+](=O)[O-])cn3)cc2)S1 1857557412 GBWDKSXWTQIOKT-VZUCSPMQSA-N 316.298 2.104 5 1 DEBF CC(C)C(=O)NCCc1ccc(OC(=O)C(C)C)c([N+](=O)[O-])c1 38960899 HONOFWWWYXHBLN-UHFFFAOYSA-N 322.361 2.471 5 1 DEBF O=[N+]([O-])c1cccc(S(=O)(=O)n2ccc3ncccc32)c1 43070173 WNMBRGNYTPSYFO-UHFFFAOYSA-N 303.299 2.182 5 1 DEBF C[C@]1(O)CC(=O)[c-]2c(cc(=O)c3c(O)c4c(O)cccc4cc32)C1 85614495 FRMYNQJNVDBAAR-LJQANCHMSA-N 323.324 2.363 5 1 DEBF in-vitro CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1OC1CCCC1 13682016 POALVOOQIHGQKI-UHFFFAOYSA-N 300.336 2.288 5 1 DEBF COc1cc2c(cc1O)CC[N@+]1([O-])CC=C3C=C[C@H](OC)C[C@]321 299808424 KJUGMBCUNNTOMY-JVPBZIDWSA-N 315.369 2.382 5 1 DEBF C[C@@H](c1nc2c(F)cnc(Cl)c2[nH]1)n1cc([N+](=O)[O-])cn1 587276032 IBBWQFVMYBVSJC-YFKPBYRVSA-N 310.676 2.464 5 1 DEBF C[C@](O)(CO)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 28818411 GWJUFRRJSUNOGQ-NSHDSACASA-N 304.224 2.295 5 1 DEBF C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](n1cc(C3(O)CCCCC3)nn1)C2 100597403 CBJPPTMKCAXLDB-QKDCVEJESA-N 305.446 2.372 5 1 DEBF CN(C)C(=O)c1cccc(-c2cc(C=O)c(O)c([N+](=O)[O-])c2)c1 169699664 VSXRSXHDPZOWES-UHFFFAOYSA-N 314.297 2.482 5 1 DEBF O=C(c1ccccc1)N1CCN(Cc2ccc([N+](=O)[O-])o2)CC1 1857643272 HRIMFVWSJBJNIO-UHFFFAOYSA-N 315.329 2.146 5 1 DEBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2nc(Cl)c[nH]c-2n1 587268364 TVPXKAKDMPTRIQ-UHFFFAOYSA-N 321.728 2.234 5 1 DEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccnc(Cl)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587261845 DEUJEUOOLGVHCE-HRDYMLBCSA-N 322.752 2.272 5 1 DEBF COC(=O)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)C[C@@H]2CC[C@@H]1N2C 100739578 JWBRJGZNZCKAEB-LJISPDSOSA-N 304.346 2.334 5 1 DEBF COc1cc2c(=O)c3c(OC)cc(O)cc3oc2c(OC)c1O 14649046 QLHNHLVUYKOUKI-UHFFFAOYSA-N 318.281 2.383 5 1 DEBF biogenic